#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbl s ILE 37 N 0.00 4.13 -0.25 -0.39 1.01 -1.26 -5.02 121.20 119.42 3hbl s ILE 37 Ca 0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 3hbl s ILE 37 Cb 0.00 -2.85 -0.15 0.00 0.01 0.00 0.00 42.46 39.47 3hbl s ILE 37 CO 0.00 0.45 -0.13 0.29 0.00 0.00 0.00 174.94 175.55 3hbl n LYS 38 N 3.87 0.59 -3.83 2.79 4.76 -1.26 -4.80 118.16 120.29 3hbl n LYS 38 Ca -0.17 0.35 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 3hbl n LYS 38 Cb 0.52 -1.59 -0.13 0.00 -1.84 0.00 0.00 35.03 32.00 3hbl n LYS 38 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3hbl s LYS 39 N -2.47 0.14 0.38 1.97 -2.85 -1.26 -1.54 119.74 114.11 3hbl s LYS 39 Ca -0.35 0.14 0.08 0.00 -1.00 0.00 0.00 55.97 54.84 3hbl s LYS 39 Cb 0.11 0.07 -0.03 0.00 -2.06 0.00 0.00 37.83 35.92 3hbl s LYS 39 CO 0.54 -0.02 0.29 -1.17 0.10 0.00 0.00 175.35 175.09 3hbl s LEU 40 N 0.03 3.41 0.00 2.77 0.20 0.60 -2.17 118.68 123.52 3hbl s LEU 40 Ca -0.00 -0.70 0.00 0.00 0.69 0.00 0.00 54.13 54.11 3hbl s LEU 40 Cb -0.01 -1.99 0.00 0.00 -0.43 0.00 0.00 46.19 43.76 3hbl s LEU 40 CO 0.00 -0.48 0.00 -0.11 -0.29 0.00 0.00 176.35 175.47 3hbl n LEU 41 N -1.39 0.00 -1.35 -0.68 7.94 -0.25 -1.38 117.00 119.90 3hbl n LEU 41 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hbl n LEU 41 Cb 0.61 -0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.50 3hbl n LEU 41 CO 0.43 -0.39 0.00 0.52 -1.11 0.00 0.00 177.39 176.84 3hbl n VAL 42 N -2.19 -2.57 -1.90 1.96 0.31 -1.21 -4.20 118.33 108.52 3hbl n VAL 42 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 3hbl n VAL 42 Cb 0.00 -3.22 -0.01 0.00 -0.91 0.00 0.00 33.84 29.70 3hbl n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hbl n ALA 43 N 0.08 6.23 -3.00 3.52 0.00 -0.54 -4.25 120.51 122.56 3hbl n ALA 43 Ca 0.00 -4.00 0.00 0.00 0.00 0.00 0.00 53.44 49.44 3hbl n ALA 43 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.32 3hbl n ALA 43 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hbl n ASN 44 N 3.75 0.00 -0.55 0.00 5.15 -1.26 -4.75 115.26 117.60 3hbl n ASN 44 Ca 0.56 -0.92 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 3hbl n ASN 44 Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 3hbl n ASN 44 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3hbl n ARG 45 N 0.00 0.00 0.00 1.20 1.85 -1.26 -4.58 116.66 113.87 3hbl n ARG 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3hbl n ARG 45 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 3hbl n ARG 45 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hbl n GLY 46 N 0.00 0.94 0.34 2.89 0.00 -1.26 -2.54 105.19 105.56 3hbl n GLY 46 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 46.02 45.29 3hbl n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3hbl h GLU 47 N 0.00 0.90 -0.27 1.61 -0.00 -1.85 -3.04 114.58 111.93 3hbl h GLU 47 Ca 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 59.36 59.25 3hbl h GLU 47 Cb 0.00 -0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 28.54 3hbl h GLU 47 CO 0.00 0.62 -0.00 0.97 -0.00 0.00 0.00 179.01 180.60 3hbl h ILE 48 N 0.92 1.26 0.03 -1.06 6.09 -1.89 -1.34 117.51 121.51 3hbl h ILE 48 Ca 0.24 -0.93 0.03 0.00 -1.37 0.00 0.00 64.86 62.84 3hbl h ILE 48 Cb -0.06 1.32 -0.05 0.00 0.47 0.00 0.00 36.82 38.51 3hbl h ILE 48 CO -0.05 0.30 -0.34 0.00 -3.07 0.00 0.00 178.15 174.99 3hbl h ALA 49 N 0.82 -0.52 -0.71 0.18 0.00 -1.39 -0.83 119.26 116.82 3hbl h ALA 49 Ca 0.08 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.09 3hbl h ALA 49 Cb 0.43 0.59 -0.09 0.00 0.00 0.00 0.00 17.79 18.71 3hbl h ALA 49 CO 0.01 -0.86 0.24 0.82 0.00 0.00 0.00 179.25 179.46 3hbl h ILE 50 N -0.51 0.64 -0.81 0.00 2.04 -1.42 0.17 117.51 117.61 3hbl h ILE 50 Ca 0.05 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3hbl h ILE 50 Cb 0.58 0.23 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3hbl h ILE 50 CO -0.26 0.07 0.40 -0.09 0.00 0.00 0.00 178.15 178.27 3hbl h ARG 51 N 0.37 1.16 0.04 2.37 9.65 -0.75 -2.35 114.38 124.87 3hbl h ARG 51 Ca 0.39 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 59.11 3hbl h ARG 51 Cb 0.59 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 3hbl h ARG 51 CO -0.42 0.88 -0.02 0.82 2.80 0.00 0.00 179.97 184.04 3hbl h ILE 52 N 1.15 1.18 -0.65 1.20 1.08 0.41 -2.53 117.51 119.37 3hbl h ILE 52 Ca 0.28 -0.73 0.10 0.00 -0.39 0.00 0.00 64.86 64.13 3hbl h ILE 52 Cb 0.10 1.67 -0.04 0.00 -3.07 0.00 0.00 36.82 35.47 3hbl h ILE 52 CO -0.04 0.18 0.43 -0.26 -0.69 0.00 0.00 178.15 177.78 3hbl h PHE 53 N -0.37 0.49 0.22 1.37 0.05 -0.97 -0.17 116.94 117.55 3hbl h PHE 53 Ca -0.01 0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.79 3hbl h PHE 53 Cb 0.34 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 38.14 3hbl h PHE 53 CO 0.03 0.23 -0.11 0.00 -0.18 0.00 0.00 178.31 178.28 3hbl h ARG 54 N 0.45 -0.28 -0.91 1.51 3.08 -1.38 -1.49 114.38 115.35 3hbl h ARG 54 Ca 0.30 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.47 3hbl h ARG 54 Cb 0.57 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.61 3hbl h ARG 54 CO -0.09 0.06 0.56 0.00 -1.07 0.00 0.00 179.97 179.42 3hbl h ALA 55 N -0.01 1.32 -0.19 0.04 0.00 -0.88 -2.04 119.26 117.50 3hbl h ALA 55 Ca -0.03 0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3hbl h ALA 55 Cb 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hbl h ALA 55 CO 0.05 0.21 -0.65 0.00 0.00 0.00 0.00 179.25 178.86 3hbl h ALA 56 N 1.48 0.50 -0.20 0.00 0.00 -1.08 -3.06 119.26 116.90 3hbl h ALA 56 Ca 0.43 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3hbl h ALA 56 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hbl h ALA 56 CO -0.24 0.70 -0.11 0.00 0.00 0.00 0.00 179.25 179.60 3hbl h ALA 57 N 0.76 1.45 0.00 0.00 0.00 -0.81 -1.65 119.26 119.02 3hbl h ALA 57 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hbl h ALA 57 Cb 1.24 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hbl h ALA 57 CO 0.13 0.39 0.00 0.39 0.00 0.00 0.00 179.25 180.16 3hbl n GLU 58 N -4.26 0.12 -0.60 0.00 1.02 -0.81 -1.91 120.64 114.20 3hbl n GLU 58 Ca -0.00 0.20 0.06 0.00 -0.02 0.00 0.00 57.16 57.39 3hbl n GLU 58 Cb 0.27 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.31 3hbl n GLU 58 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hbl n LEU 59 N -1.26 1.81 -4.04 -4.62 4.77 -0.74 -4.99 117.00 107.93 3hbl n LEU 59 Ca 0.04 -2.80 -0.27 0.00 -0.03 0.00 0.00 56.01 52.94 3hbl n LEU 59 Cb 0.06 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 3hbl n LEU 59 CO 0.05 0.83 -0.30 0.47 -1.33 0.00 0.00 177.39 177.12 3hbl n ASP 60 N -0.71 -0.02 -4.30 -1.43 9.92 -0.80 -4.96 116.55 114.25 3hbl n ASP 60 Ca 0.12 -1.08 -0.36 0.00 -0.53 0.00 0.00 54.79 52.95 3hbl n ASP 60 Cb 0.77 -2.69 -0.13 0.00 -0.64 0.00 0.00 41.12 38.43 3hbl n ASP 60 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3hbl s ILE 61 N -4.06 3.51 0.40 0.53 1.01 -0.70 -4.92 121.20 116.96 3hbl s ILE 61 Ca 0.01 -0.73 -0.26 0.00 0.00 0.00 0.00 60.65 59.66 3hbl s ILE 61 Cb -0.00 -2.75 -0.11 0.00 0.01 0.00 0.00 42.46 39.61 3hbl s ILE 61 CO 0.92 0.20 1.24 -0.24 0.00 0.00 0.00 174.94 177.06 3hbl n SER 62 N 4.79 2.45 -4.16 3.58 2.88 -0.59 -4.02 113.62 118.55 3hbl n SER 62 Ca -0.16 1.13 -0.28 0.00 -1.33 0.00 0.00 58.87 58.23 3hbl n SER 62 Cb 0.48 -1.48 -0.16 0.00 -0.75 0.00 0.00 64.21 62.30 3hbl n SER 62 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3hbl s THR 63 N -1.18 1.65 -0.00 2.46 -4.23 -1.26 -0.29 115.64 112.79 3hbl s THR 63 Ca 0.60 -0.81 0.05 0.00 -1.18 0.00 0.00 61.69 60.34 3hbl s THR 63 Cb -0.53 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 3hbl s THR 63 CO 0.59 0.47 -0.14 -0.69 -0.54 0.00 0.00 174.62 174.31 3hbl s VAL 64 N 0.20 3.08 0.05 2.29 1.01 -0.48 -0.98 120.40 125.59 3hbl s VAL 64 Ca -0.10 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.05 3hbl s VAL 64 Cb -0.14 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 3hbl s VAL 64 CO 0.05 0.44 -0.24 0.00 0.00 0.00 0.00 175.10 175.35 3hbl s ALA 65 N -0.87 2.38 -0.11 5.51 0.00 0.13 -4.30 121.76 124.50 3hbl s ALA 65 Ca 0.14 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3hbl s ALA 65 Cb -0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 3hbl s ALA 65 CO 0.04 0.55 -0.11 0.96 0.00 0.00 0.00 175.76 177.19 3hbl s ILE 66 N -0.87 3.24 0.31 0.00 -4.36 -1.26 -2.09 121.20 116.15 3hbl s ILE 66 Ca 0.13 -0.61 0.04 0.00 -0.26 0.00 0.00 60.65 59.95 3hbl s ILE 66 Cb -0.10 -2.34 -0.06 0.00 1.25 0.00 0.00 42.46 41.20 3hbl s ILE 66 CO 0.04 0.54 0.02 -0.72 0.24 0.00 0.00 174.94 175.06 3hbl s TYR 67 N -0.01 1.93 0.47 1.37 1.13 -1.00 -4.75 117.35 116.50 3hbl s TYR 67 Ca -0.03 -0.88 0.05 0.00 -1.41 0.00 0.00 57.07 54.80 3hbl s TYR 67 Cb -0.14 -1.22 -0.03 0.00 -1.10 0.00 0.00 41.96 39.47 3hbl s TYR 67 CO 0.04 0.08 0.13 0.45 -2.51 0.00 0.00 175.55 173.73 3hbl s SER 68 N -3.46 4.25 0.20 -0.18 0.15 -1.26 -0.73 113.70 112.66 3hbl s SER 68 Ca 0.34 -1.36 -0.11 0.00 0.70 0.00 0.00 55.95 55.52 3hbl s SER 68 Cb 0.07 0.02 0.19 0.00 -1.71 0.00 0.00 66.02 64.58 3hbl s SER 68 CO 0.14 -0.72 1.81 0.78 1.20 0.00 0.00 173.24 176.45 3hbl h ASN 69 N 1.36 0.54 -0.02 5.45 -0.26 -1.84 -1.87 115.58 118.93 3hbl h ASN 69 Ca -0.42 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 3hbl h ASN 69 Cb 1.28 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 3hbl h ASN 69 CO 0.71 0.36 0.00 -0.62 -1.06 0.00 0.00 177.43 176.83 3hbl n GLU 70 N -4.78 1.78 -0.44 0.81 1.02 -1.26 -3.63 120.64 114.13 3hbl n GLU 70 Ca 0.07 -1.13 0.08 0.00 -0.02 0.00 0.00 57.16 56.15 3hbl n GLU 70 Cb 0.13 -1.48 0.26 0.00 -0.02 0.00 0.00 31.44 30.34 3hbl n GLU 70 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hbl n ASP 71 N 0.38 3.92 0.19 1.62 8.00 -0.83 -4.59 116.55 125.24 3hbl n ASP 71 Ca 0.18 -2.77 0.17 0.00 0.71 0.00 0.00 54.79 53.09 3hbl n ASP 71 Cb 0.40 -0.50 0.80 0.00 -0.02 0.00 0.00 41.12 41.80 3hbl n ASP 71 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3hbl h LYS 72 N 2.21 0.00 -0.22 -1.24 1.79 -1.43 -1.91 116.57 115.77 3hbl h LYS 72 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3hbl h LYS 72 Cb 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 3hbl h LYS 72 CO 0.20 0.00 0.00 0.43 -1.08 0.00 0.00 179.45 179.00 3hbl n SER 73 N -3.88 2.96 -4.74 0.86 7.64 -1.26 -4.99 113.62 110.20 3hbl n SER 73 Ca 0.02 -1.87 -0.41 0.00 1.01 0.00 0.00 58.87 57.62 3hbl n SER 73 Cb 0.35 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 3hbl n SER 73 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3hbl s SER 74 N -1.41 6.74 0.40 6.43 0.15 -0.72 -4.90 113.70 120.39 3hbl s SER 74 Ca 0.29 2.58 0.17 0.00 0.70 0.00 0.00 55.95 59.69 3hbl s SER 74 Cb 0.18 -2.62 1.07 0.00 -1.71 0.00 0.00 66.02 62.94 3hbl s SER 74 CO 0.25 -0.63 1.82 0.25 1.20 0.00 0.00 173.24 176.13 3hbl h LEU 75 N 5.04 0.44 -1.26 3.45 6.46 -1.90 -2.30 115.31 125.25 3hbl h LEU 75 Ca -0.46 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.30 3hbl h LEU 75 Cb 1.22 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 41.12 3hbl h LEU 75 CO 0.77 0.15 -0.31 1.12 -0.62 0.00 0.00 178.44 179.55 3hbl h HIS 76 N 0.43 0.00 -1.15 1.25 2.07 -1.90 -2.87 115.15 112.97 3hbl h HIS 76 Ca 0.52 0.00 0.33 0.00 -2.85 0.00 0.00 60.37 58.37 3hbl h HIS 76 Cb 1.28 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 31.20 3hbl h HIS 76 CO -0.00 0.31 0.81 -0.09 -3.07 0.00 0.00 177.93 175.89 3hbl h ARG 77 N 0.00 0.07 0.00 5.12 2.43 -1.75 -2.58 114.38 117.67 3hbl h ARG 77 Ca -0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3hbl h ARG 77 Cb 0.70 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3hbl h ARG 77 CO 0.04 0.05 -1.27 0.66 -1.51 0.00 0.00 179.97 177.93 3hbl n TYR 78 N -4.27 0.00 0.42 2.20 4.02 -1.08 -4.41 117.16 114.04 3hbl n TYR 78 Ca 0.25 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.27 3hbl n TYR 78 Cb 1.17 -0.19 0.37 0.00 -0.02 0.00 0.00 39.34 40.67 3hbl n TYR 78 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3hbl h LYS 79 N 0.00 0.00 -7.02 -0.72 1.79 -1.54 -3.45 116.57 105.64 3hbl h LYS 79 Ca 0.00 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.02 3hbl h LYS 79 Cb 0.58 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.30 3hbl h LYS 79 CO 0.00 0.00 0.06 0.00 -1.08 0.00 0.00 179.45 178.43 3hbl s ALA 80 N -3.23 3.74 -0.10 3.86 0.00 -1.25 -4.93 121.76 119.86 3hbl s ALA 80 Ca 0.07 -1.51 0.15 0.00 0.00 0.00 0.00 51.96 50.68 3hbl s ALA 80 Cb 0.09 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.02 3hbl s ALA 80 CO 0.59 -1.16 0.99 -0.44 0.00 0.00 0.00 175.76 175.74 3hbl h ASP 81 N -0.29 0.00 -4.19 0.00 5.19 -1.46 -3.47 116.42 112.19 3hbl h ASP 81 Ca -0.39 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.60 3hbl h ASP 81 Cb 1.28 0.00 -0.27 0.00 0.18 0.00 0.00 39.33 40.52 3hbl h ASP 81 CO 0.47 0.65 -0.79 -1.61 -3.12 0.00 0.00 179.24 174.84 3hbl s GLU 82 N -2.87 0.87 -0.01 3.56 2.02 -0.15 -5.00 118.70 117.12 3hbl s GLU 82 Ca -0.01 -0.51 0.03 0.00 0.02 0.00 0.00 54.97 54.50 3hbl s GLU 82 Cb 0.08 -0.84 -0.00 0.00 0.10 0.00 0.00 34.13 33.47 3hbl s GLU 82 CO 0.80 0.22 -0.08 -1.12 0.02 0.00 0.00 175.26 175.10 3hbl s SER 83 N -0.57 1.03 -0.06 -0.19 0.01 -1.26 0.22 113.70 112.87 3hbl s SER 83 Ca 0.03 -0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.02 3hbl s SER 83 Cb -0.05 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.04 3hbl s SER 83 CO 0.00 0.09 0.28 -0.31 0.41 0.00 0.00 173.24 173.71 3hbl s TYR 84 N -0.09 -0.23 -0.07 2.43 1.51 -0.89 -4.97 117.35 115.05 3hbl s TYR 84 Ca 0.02 0.50 -0.28 0.00 -1.01 0.00 0.00 57.07 56.29 3hbl s TYR 84 Cb -0.05 0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 41.86 3hbl s TYR 84 CO -0.00 -0.24 0.92 -1.17 -1.11 0.00 0.00 175.55 173.94 3hbl s LEU 85 N -0.51 4.30 -0.26 -1.29 2.96 -1.26 -2.36 118.68 120.26 3hbl s LEU 85 Ca -0.06 1.47 -0.13 0.00 -0.22 0.00 0.00 54.13 55.19 3hbl s LEU 85 Cb -0.04 -3.44 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 3hbl s LEU 85 CO 0.02 -0.31 0.28 -0.69 -1.32 0.00 0.00 176.35 174.33 3hbl s VAL 86 N 1.44 5.25 -0.36 1.68 1.01 0.09 -4.71 120.40 124.79 3hbl s VAL 86 Ca 0.46 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.76 3hbl s VAL 86 Cb -0.19 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.58 3hbl s VAL 86 CO 0.21 0.23 0.34 0.61 0.00 0.00 0.00 175.10 176.50 3hbl n GLY 87 N 4.59 -2.46 0.21 4.51 0.00 -1.26 -4.56 105.19 106.21 3hbl n GLY 87 Ca -0.11 0.89 0.04 0.00 0.00 0.00 0.00 46.02 46.83 3hbl n GLY 87 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hbl h SER 88 N 2.28 0.01 0.04 1.61 0.02 -1.98 -3.16 113.55 112.38 3hbl h SER 88 Ca 0.00 -0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.57 3hbl h SER 88 Cb 0.57 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 3hbl h SER 88 CO 0.15 0.28 -2.36 -0.90 -1.14 0.00 0.00 176.83 172.86 3hbl n ASP 89 N -4.21 0.90 -4.62 3.07 5.68 -1.26 -4.95 116.55 111.16 3hbl n ASP 89 Ca -0.02 -0.02 -0.43 0.00 -0.50 0.00 0.00 54.79 53.82 3hbl n ASP 89 Cb 0.32 0.31 -0.02 0.00 -1.14 0.00 0.00 41.12 40.59 3hbl n ASP 89 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 3hbl s LEU 90 N -5.99 3.74 0.47 -2.12 2.96 -1.19 -4.98 118.68 111.57 3hbl s LEU 90 Ca -0.20 1.00 -0.23 0.00 -0.22 0.00 0.00 54.13 54.48 3hbl s LEU 90 Cb 0.07 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.14 3hbl s LEU 90 CO 0.74 -1.25 1.06 0.61 -1.32 0.00 0.00 176.35 176.19 3hbl n GLY 91 N 4.68 -0.05 0.41 7.98 0.00 -1.26 -4.53 105.19 112.42 3hbl n GLY 91 Ca 0.15 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.38 3hbl n GLY 91 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hbl h PRO 92 N 1.37 0.00 -0.32 1.61 0.11 -1.93 0.43 132.00 133.27 3hbl h PRO 92 Ca -0.46 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3hbl h PRO 92 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3hbl h PRO 92 CO 0.56 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 177.97 3hbl h ALA 93 N 0.42 0.72 -0.00 -0.75 0.00 -1.96 -3.27 119.26 114.42 3hbl h ALA 93 Ca 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hbl h ALA 93 Cb 2.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.82 3hbl h ALA 93 CO -0.00 0.66 -0.74 0.39 0.00 0.00 0.00 179.25 179.56 3hbl n GLU 94 N -4.05 0.01 0.37 0.00 1.02 0.15 -4.74 120.64 113.40 3hbl n GLU 94 Ca -0.02 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.97 3hbl n GLU 94 Cb 0.52 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.37 3hbl n GLU 94 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3hbl h SER 95 N 0.02 -0.80 0.10 1.62 0.87 -1.54 -2.52 113.55 111.30 3hbl h SER 95 Ca 0.00 0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.38 3hbl h SER 95 Cb 0.50 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3hbl h SER 95 CO 0.00 -0.53 -0.79 1.88 -0.53 0.00 0.00 176.83 176.85 3hbl h TYR 96 N -1.01 0.79 0.00 2.24 -1.99 -1.86 -3.25 116.97 111.89 3hbl h TYR 96 Ca -0.10 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.27 3hbl h TYR 96 Cb 0.72 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.33 3hbl h TYR 96 CO 0.05 1.16 0.00 -0.07 -0.00 0.00 0.00 178.16 179.30 3hbl h LEU 97 N 0.38 0.00 -9.31 3.88 3.38 -1.85 -3.43 115.31 108.36 3hbl h LEU 97 Ca -0.05 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.37 3hbl h LEU 97 Cb 1.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 3hbl h LEU 97 CO 0.15 0.00 0.49 0.21 0.09 0.00 0.00 178.44 179.37 3hbl s ASN 98 N -4.48 7.28 -0.06 -0.43 2.47 -0.95 -4.98 114.94 113.80 3hbl s ASN 98 Ca 0.03 1.57 -0.05 0.00 0.42 0.00 0.00 52.86 54.83 3hbl s ASN 98 Cb 0.09 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 37.30 3hbl s ASN 98 CO 0.40 -0.37 0.26 0.40 -3.72 0.00 0.00 177.10 174.06 3hbl h ILE 99 N 4.99 0.00 -0.95 -5.21 2.04 -1.90 -3.39 117.51 113.08 3hbl h ILE 99 Ca -0.35 -0.63 0.13 0.00 1.00 0.00 0.00 64.86 65.00 3hbl h ILE 99 Cb 1.17 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.11 3hbl h ILE 99 CO 0.81 0.00 -0.44 -0.62 0.00 0.00 0.00 178.15 177.91 3hbl n GLU 100 N -4.27 -0.29 0.19 2.37 -0.58 -1.26 -1.60 120.64 115.20 3hbl n GLU 100 Ca -0.02 1.46 0.03 0.00 -0.42 0.00 0.00 57.16 58.21 3hbl n GLU 100 Cb 0.07 -2.16 0.40 0.00 -0.57 0.00 0.00 31.44 29.19 3hbl n GLU 100 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3hbl h ARG 101 N 0.00 0.04 -0.37 3.49 9.65 -1.97 -2.49 114.38 122.73 3hbl h ARG 101 Ca 0.27 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.12 3hbl h ARG 101 Cb 0.51 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.07 3hbl h ARG 101 CO -0.93 0.32 0.17 0.82 2.80 0.00 0.00 179.97 183.15 3hbl h ILE 102 N 0.04 1.17 -0.81 1.20 2.04 -1.49 -2.62 117.51 117.05 3hbl h ILE 102 Ca 0.00 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3hbl h ILE 102 Cb 0.52 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3hbl h ILE 102 CO 0.04 0.19 0.34 0.40 0.00 0.00 0.00 178.15 179.12 3hbl h ILE 103 N 0.46 1.26 -0.96 -0.67 2.04 -1.48 -1.76 117.51 116.39 3hbl h ILE 103 Ca 0.13 -0.80 0.14 0.00 1.00 0.00 0.00 64.86 65.32 3hbl h ILE 103 Cb 0.14 0.27 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 3hbl h ILE 103 CO -0.01 0.33 0.61 0.44 0.00 0.00 0.00 178.15 179.52 3hbl h ASP 104 N 1.18 0.81 0.18 1.72 3.32 -1.18 0.19 116.42 122.64 3hbl h ASP 104 Ca 0.27 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3hbl h ASP 104 Cb 0.19 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3hbl h ASP 104 CO -0.03 0.40 -0.09 0.58 -1.72 0.00 0.00 179.24 178.39 3hbl h VAL 105 N 0.85 0.88 -0.80 -1.35 2.07 -1.13 -2.60 116.25 114.17 3hbl h VAL 105 Ca 0.49 -0.98 0.19 0.00 0.82 0.00 0.00 66.70 67.23 3hbl h VAL 105 Cb 0.63 1.41 -0.13 0.00 -1.52 0.00 0.00 31.29 31.68 3hbl h VAL 105 CO -0.26 0.20 0.13 0.00 0.02 0.00 0.00 177.57 177.66 3hbl h ALA 106 N -0.16 1.00 -0.07 1.67 0.00 -0.53 0.10 119.26 121.28 3hbl h ALA 106 Ca -0.02 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hbl h ALA 106 Cb 0.52 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3hbl h ALA 106 CO 0.04 -0.42 0.02 0.87 0.00 0.00 0.00 179.25 179.76 3hbl h LYS 107 N 0.18 0.05 0.00 0.00 1.57 -0.71 -1.04 116.57 116.63 3hbl h LYS 107 Ca 0.47 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3hbl h LYS 107 Cb 0.86 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3hbl h LYS 107 CO -0.63 0.04 0.00 0.94 -0.57 0.00 0.00 179.45 179.22 3hbl n GLN 108 N -5.08 0.05 -0.00 3.15 7.27 0.30 -2.79 117.38 120.27 3hbl n GLN 108 Ca -0.05 0.33 0.00 0.00 0.07 0.00 0.00 57.00 57.34 3hbl n GLN 108 Cb 0.05 -1.59 0.00 0.00 2.41 0.00 0.00 30.24 31.10 3hbl n GLN 108 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hbl n ALA 109 N -1.57 2.15 -2.28 1.69 0.00 -0.84 -5.00 120.51 114.66 3hbl n ALA 109 Ca 0.03 -0.86 -0.12 0.00 0.00 0.00 0.00 53.44 52.49 3hbl n ALA 109 Cb 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 3hbl n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hbl n ASN 110 N -0.34 -3.95 -4.70 0.00 5.03 -1.12 -5.00 115.26 105.18 3hbl n ASN 110 Ca 0.00 -0.03 -0.42 0.00 0.87 0.00 0.00 54.58 55.00 3hbl n ASN 110 Cb 0.18 -3.13 -0.03 0.00 -1.02 0.00 0.00 39.78 35.78 3hbl n ASN 110 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hbl s VAL 111 N -2.65 4.45 -1.01 2.41 1.01 -0.41 -4.63 120.40 119.58 3hbl s VAL 111 Ca 0.02 1.75 0.11 0.00 0.00 0.00 0.00 61.98 63.86 3hbl s VAL 111 Cb -0.01 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 3hbl s VAL 111 CO 0.02 0.05 0.67 -0.90 0.00 0.00 0.00 175.10 174.94 3hbl n ASP 112 N 4.66 1.27 -3.75 3.32 5.68 -0.92 -4.70 116.55 122.11 3hbl n ASP 112 Ca 0.09 -1.14 -0.12 0.00 -0.50 0.00 0.00 54.79 53.12 3hbl n ASP 112 Cb 0.48 0.47 -0.12 0.00 -1.14 0.00 0.00 41.12 40.81 3hbl n ASP 112 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hbl s ALA 113 N -1.46 -0.62 -0.14 2.12 0.00 -1.17 0.13 121.76 120.62 3hbl s ALA 113 Ca 0.09 0.91 0.01 0.00 0.00 0.00 0.00 51.96 52.97 3hbl s ALA 113 Cb 0.09 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3hbl s ALA 113 CO 0.28 -0.17 -0.18 0.42 0.00 0.00 0.00 175.76 176.12 3hbl s ILE 114 N 0.76 1.77 -0.24 0.00 1.01 0.50 -1.09 121.20 123.91 3hbl s ILE 114 Ca -0.05 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.62 3hbl s ILE 114 Cb -0.06 -1.61 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 3hbl s ILE 114 CO -0.05 0.49 0.61 -2.28 0.00 0.00 0.00 174.94 173.71 3hbl s HIS 115 N 1.14 3.31 -0.12 3.97 2.46 -1.26 -0.98 115.29 123.80 3hbl s HIS 115 Ca -0.01 0.81 0.28 0.00 0.47 0.00 0.00 55.06 56.61 3hbl s HIS 115 Cb -0.14 -2.80 0.87 0.00 -0.13 0.00 0.00 32.58 30.37 3hbl s HIS 115 CO -0.06 -0.27 1.80 -1.00 -2.47 0.00 0.00 174.74 172.73 3hbl h PRO 116 N 7.79 0.00 0.00 2.88 0.13 -1.89 -1.42 132.00 139.49 3hbl h PRO 116 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hbl h PRO 116 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3hbl h PRO 116 CO 0.76 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.98 3hbl n GLY 117 N 0.52 1.18 3.16 1.56 0.00 -1.26 -4.47 105.19 105.88 3hbl n GLY 117 Ca 0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 3hbl n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hbl s TYR 118 N 0.00 -0.31 -0.68 1.61 -0.85 -1.26 -4.34 117.35 111.53 3hbl s TYR 118 Ca 0.00 0.75 -0.02 0.00 -0.52 0.00 0.00 57.07 57.27 3hbl s TYR 118 Cb 0.00 0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.44 3hbl s TYR 118 CO 0.00 -0.15 0.58 0.41 -1.52 0.00 0.00 175.55 174.87 3hbl n GLY 119 N 3.02 0.08 0.91 5.49 0.00 -1.26 -4.91 105.19 108.52 3hbl n GLY 119 Ca -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3hbl n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hbl n PHE 120 N -3.20 -0.12 -0.20 1.61 3.72 -1.26 -4.92 117.46 113.08 3hbl n PHE 120 Ca -0.08 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.34 3hbl n PHE 120 Cb 0.56 0.23 0.03 0.00 -0.94 0.00 0.00 39.48 39.36 3hbl n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hbl n LEU 121 N -1.68 2.11 0.24 4.37 4.77 -1.26 -4.74 117.00 120.80 3hbl n LEU 121 Ca 0.00 -2.20 0.12 0.00 -0.03 0.00 0.00 56.01 53.91 3hbl n LEU 121 Cb 0.00 -0.09 0.75 0.00 -2.33 0.00 0.00 43.42 41.75 3hbl n LEU 121 CO 0.00 0.55 1.11 0.77 -1.33 0.00 0.00 177.39 178.48 3hbl h SER 122 N 0.09 0.00 -0.09 -1.43 4.64 -1.90 -1.87 113.55 113.00 3hbl h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 122 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3hbl h SER 122 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3hbl n GLU 123 N -4.24 1.85 -3.19 4.77 1.02 -1.26 -4.79 120.64 114.80 3hbl n GLU 123 Ca -0.01 -2.66 -0.39 0.00 -0.02 0.00 0.00 57.16 54.07 3hbl n GLU 123 Cb 0.17 -1.62 -0.06 0.00 -0.02 0.00 0.00 31.44 29.91 3hbl n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hbl s ASN 124 N -2.55 6.64 0.04 1.62 3.84 -0.70 -4.94 114.94 118.89 3hbl s ASN 124 Ca 0.35 0.78 -0.21 0.00 0.21 0.00 0.00 52.86 53.99 3hbl s ASN 124 Cb 0.30 -2.32 -0.15 0.00 -0.55 0.00 0.00 41.25 38.53 3hbl s ASN 124 CO 0.05 -0.20 1.35 -0.33 -2.79 0.00 0.00 177.10 175.18 3hbl h GLU 125 N 7.38 0.32 -0.86 0.43 3.07 -1.91 -3.21 114.58 119.79 3hbl h GLU 125 Ca -0.34 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3hbl h GLU 125 Cb 1.15 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.02 3hbl h GLU 125 CO 0.76 0.70 0.56 1.96 -1.40 0.00 0.00 179.01 181.58 3hbl h GLN 126 N -0.05 1.15 -0.20 2.33 1.08 -1.97 -2.24 115.11 115.20 3hbl h GLN 126 Ca 0.02 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.11 3hbl h GLN 126 Cb 0.63 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3hbl h GLN 126 CO 0.03 0.77 0.00 0.35 -0.95 0.00 0.00 178.83 179.04 3hbl h PHE 127 N 1.18 0.39 -0.61 2.96 3.57 -1.91 -2.13 116.94 120.38 3hbl h PHE 127 Ca 0.31 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 3hbl h PHE 127 Cb -0.11 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3hbl h PHE 127 CO -0.01 0.54 0.08 0.00 -2.23 0.00 0.00 178.31 176.69 3hbl h ALA 128 N 0.79 0.81 -0.29 2.41 0.00 -1.54 -2.82 119.26 118.63 3hbl h ALA 128 Ca 0.06 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.76 3hbl h ALA 128 Cb 0.39 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3hbl h ALA 128 CO 0.01 0.59 -0.08 -0.09 0.00 0.00 0.00 179.25 179.68 3hbl h ARG 129 N 0.93 -0.01 0.00 0.00 2.43 -1.33 -2.50 114.38 113.90 3hbl h ARG 129 Ca 0.18 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3hbl h ARG 129 Cb 0.46 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3hbl h ARG 129 CO 0.02 -0.01 -0.15 0.00 -1.51 0.00 0.00 179.97 178.32 3hbl h ARG 130 N -0.02 0.00 0.28 0.20 2.47 -1.20 -2.21 114.38 113.90 3hbl h ARG 130 Ca 0.14 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 3hbl h ARG 130 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 3hbl h ARG 130 CO -0.31 0.15 -0.13 0.00 0.56 0.00 0.00 179.97 180.24 3hbl h ALA 132 N -0.11 0.99 0.00 0.00 0.00 -1.40 0.23 119.26 118.97 3hbl h ALA 132 Ca -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hbl h ALA 132 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hbl h ALA 132 CO 0.06 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.80 3hbl n GLU 133 N -3.18 0.01 -0.02 0.00 1.02 -0.84 -2.65 120.64 114.97 3hbl n GLU 133 Ca 0.01 0.20 0.02 0.00 -0.02 0.00 0.00 57.16 57.37 3hbl n GLU 133 Cb 0.39 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.33 3hbl n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3hbl n GLU 134 N -1.53 0.83 -2.06 3.49 -0.58 -0.35 -4.99 120.64 115.46 3hbl n GLU 134 Ca 0.04 -1.09 -0.06 0.00 -0.42 0.00 0.00 57.16 55.63 3hbl n GLU 134 Cb 0.21 -1.08 -0.00 0.00 -0.57 0.00 0.00 31.44 30.00 3hbl n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hbl n GLY 135 N 0.07 0.16 3.35 0.62 0.00 -0.81 -5.04 105.19 103.54 3hbl n GLY 135 Ca 0.03 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3hbl n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 136 N -2.29 2.79 -0.02 -0.61 1.01 0.65 -4.86 121.20 117.88 3hbl s ILE 136 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 3hbl s ILE 136 Cb 0.00 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 3hbl s ILE 136 CO 0.00 0.54 1.01 -0.75 0.00 0.00 0.00 174.94 175.74 3hbl s LYS 137 N 0.15 4.52 -0.34 2.79 2.47 0.35 -2.53 119.74 127.14 3hbl s LYS 137 Ca -0.09 1.45 -0.19 0.00 -1.56 0.00 0.00 55.97 55.59 3hbl s LYS 137 Cb -0.15 -3.47 -0.00 0.00 -1.46 0.00 0.00 37.83 32.74 3hbl s LYS 137 CO 0.05 -0.13 0.54 0.12 0.16 0.00 0.00 175.35 176.09 3hbl s PHE 138 N 1.25 3.18 -1.21 4.03 2.19 -1.26 -0.37 117.98 125.79 3hbl s PHE 138 Ca 0.52 0.27 -0.20 0.00 0.33 0.00 0.00 56.93 57.85 3hbl s PHE 138 Cb -0.21 -2.95 -0.03 0.00 -1.31 0.00 0.00 43.02 38.52 3hbl s PHE 138 CO 0.26 -0.53 1.88 -0.89 1.83 0.00 0.00 175.22 177.77 3hbl n ILE 139 N 5.43 2.74 -3.47 3.12 5.41 -0.15 -4.72 119.36 127.72 3hbl n ILE 139 Ca -0.04 -2.78 0.00 0.00 1.00 0.00 0.00 62.75 60.93 3hbl n ILE 139 Cb 0.49 -2.28 0.00 0.00 -0.71 0.00 0.00 39.64 37.14 3hbl n ILE 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hbl n GLY 140 N 5.41 0.89 3.60 7.39 0.00 -1.26 -4.51 105.19 116.71 3hbl n GLY 140 Ca 0.47 -0.78 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 3hbl n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hbl s PRO 141 N -1.09 -0.71 0.89 1.61 0.04 -1.21 -4.63 135.00 129.91 3hbl s PRO 141 Ca 0.00 0.20 -0.12 0.00 0.04 0.00 0.00 61.00 61.12 3hbl s PRO 141 Cb 0.00 -1.63 0.12 0.00 0.04 0.00 0.00 34.50 33.03 3hbl s PRO 141 CO 0.00 -3.42 1.13 -1.01 0.04 0.00 0.00 177.00 173.74 3hbl s HIS 142 N -2.92 2.59 0.25 0.56 3.76 -1.26 -4.88 115.29 113.39 3hbl s HIS 142 Ca 0.69 0.90 -0.02 0.00 -0.15 0.00 0.00 55.06 56.48 3hbl s HIS 142 Cb -0.14 -3.34 0.50 0.00 1.11 0.00 0.00 32.58 30.71 3hbl s HIS 142 CO 0.57 -2.24 1.74 -0.07 -0.85 0.00 0.00 174.74 173.90 3hbl h LEU 143 N -1.41 0.39 -1.21 0.89 4.07 -1.96 -0.96 115.31 115.12 3hbl h LEU 143 Ca -0.50 0.10 -0.04 0.00 0.08 0.00 0.00 57.88 57.53 3hbl h LEU 143 Cb 1.32 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.11 3hbl h LEU 143 CO 0.62 0.15 -0.18 1.05 -1.08 0.00 0.00 178.44 178.99 3hbl h GLU 144 N 0.52 0.00 -0.42 1.13 9.09 -1.99 -2.85 114.58 120.07 3hbl h GLU 144 Ca 0.44 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.72 3hbl h GLU 144 Cb 0.66 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.75 3hbl h GLU 144 CO -0.39 0.18 -0.23 0.45 0.05 0.00 0.00 179.01 179.07 3hbl h HIS 145 N 0.00 1.03 -0.26 2.06 3.86 -1.53 0.35 115.15 120.66 3hbl h HIS 145 Ca -0.00 -0.27 -0.16 0.00 -1.16 0.00 0.00 60.37 58.78 3hbl h HIS 145 Cb 0.68 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 3hbl h HIS 145 CO 0.00 1.06 -0.45 -0.07 0.86 0.00 0.00 177.93 179.32 3hbl h LEU 146 N 0.71 0.86 -1.14 2.43 3.38 -1.46 -2.92 115.31 117.16 3hbl h LEU 146 Ca 0.09 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 3hbl h LEU 146 Cb 0.80 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3hbl h LEU 146 CO 0.07 1.22 0.18 -0.78 0.09 0.00 0.00 178.44 179.22 3hbl h ASP 147 N 0.52 0.72 -0.51 -0.43 -0.00 -1.49 -1.65 116.42 113.58 3hbl h ASP 147 Ca 0.02 -0.10 0.04 0.00 -0.00 0.00 0.00 57.03 56.99 3hbl h ASP 147 Cb 1.06 -0.19 -0.04 0.00 -0.00 0.00 0.00 39.33 40.16 3hbl h ASP 147 CO 0.10 0.68 0.27 -0.03 -0.00 0.00 0.00 179.24 180.26 3hbl h MET 148 N 0.77 0.51 -0.01 0.28 4.05 -0.73 -3.26 114.93 116.54 3hbl h MET 148 Ca 0.18 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3hbl h MET 148 Cb 0.20 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 3hbl h MET 148 CO -0.01 0.34 -0.03 1.19 0.23 0.00 0.00 176.91 178.62 3hbl n PHE 149 N -4.87 0.00 0.29 1.39 3.01 -1.17 -2.92 117.46 113.20 3hbl n PHE 149 Ca 0.04 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.35 3hbl n PHE 149 Cb 0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.51 3hbl n PHE 149 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3hbl h GLY 150 N 1.76 -0.77 -3.91 1.37 0.00 -1.34 -3.42 103.07 96.77 3hbl h GLY 150 Ca 0.00 0.28 -0.51 0.00 0.00 0.00 0.00 47.33 47.10 3hbl h GLY 150 CO 0.00 -0.28 0.56 -0.35 0.00 0.00 0.00 176.54 176.47 3hbl s ASP 151 N -4.66 7.05 0.34 0.19 3.68 -1.26 -4.95 116.67 117.06 3hbl s ASP 151 Ca -0.15 2.42 0.18 0.00 2.13 0.00 0.00 52.55 57.13 3hbl s ASP 151 Cb 0.03 -2.63 0.34 0.00 -1.45 0.00 0.00 42.92 39.20 3hbl s ASP 151 CO 0.54 -0.33 1.57 0.11 0.13 0.00 0.00 175.17 177.19 3hbl h LYS 152 N 3.95 0.00 -0.18 4.34 1.57 -1.93 -2.84 116.57 121.48 3hbl h LYS 152 Ca -0.47 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.20 3hbl h LYS 152 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3hbl h LYS 152 CO 0.68 0.37 -0.32 0.28 -0.57 0.00 0.00 179.45 179.89 3hbl h VAL 153 N 0.00 1.34 -0.50 0.50 2.07 -1.95 -3.13 116.25 114.58 3hbl h VAL 153 Ca -0.00 -1.56 -0.08 0.00 0.82 0.00 0.00 66.70 65.88 3hbl h VAL 153 Cb 1.16 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 3hbl h VAL 153 CO 0.05 0.47 0.01 0.50 0.02 0.00 0.00 177.57 178.62 3hbl h LYS 154 N 0.18 0.88 -0.16 1.57 1.63 -1.82 -3.08 116.57 115.77 3hbl h LYS 154 Ca 0.01 -0.28 -0.04 0.00 -0.85 0.00 0.00 60.65 59.49 3hbl h LYS 154 Cb 0.91 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 3hbl h LYS 154 CO 0.07 0.91 -0.10 0.00 -3.45 0.00 0.00 179.45 176.89 3hbl h ALA 155 N 0.94 1.55 -0.66 5.00 0.00 -1.37 -2.32 119.26 122.40 3hbl h ALA 155 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hbl h ALA 155 Cb 0.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3hbl h ALA 155 CO 0.02 0.32 0.39 0.00 0.00 0.00 0.00 179.25 179.99 3hbl h ARG 156 N 0.23 0.90 -0.03 0.00 2.47 -1.47 -2.91 114.38 113.57 3hbl h ARG 156 Ca 0.05 -0.09 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 3hbl h ARG 156 Cb 0.32 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3hbl h ARG 156 CO 0.02 0.65 -0.51 1.15 0.56 0.00 0.00 179.97 181.84 3hbl h THR 157 N 0.90 1.36 -0.00 2.04 2.02 -1.44 -3.11 112.91 114.68 3hbl h THR 157 Ca 0.24 -1.75 -0.19 0.00 0.77 0.00 0.00 66.41 65.48 3hbl h THR 157 Cb -0.01 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 3hbl h THR 157 CO -0.04 0.51 -0.85 0.74 0.37 0.00 0.00 175.52 176.24 3hbl h THR 158 N 0.07 1.49 0.00 3.16 2.02 -1.41 -3.09 112.91 115.16 3hbl h THR 158 Ca -0.00 -2.59 -0.01 0.00 0.77 0.00 0.00 66.41 64.58 3hbl h THR 158 Cb 0.92 2.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.77 3hbl h THR 158 CO 0.07 0.75 -0.06 0.00 0.37 0.00 0.00 175.52 176.66 3hbl h ALA 159 N 1.01 0.98 -0.40 6.16 0.00 -1.48 -3.07 119.26 122.47 3hbl h ALA 159 Ca -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hbl h ALA 159 Cb 1.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.24 3hbl h ALA 159 CO 0.13 0.07 0.13 0.82 0.00 0.00 0.00 179.25 180.40 3hbl h ILE 160 N 0.00 1.21 0.00 0.00 2.04 -1.47 -2.28 117.51 117.01 3hbl h ILE 160 Ca -0.00 -0.69 -0.13 0.00 1.00 0.00 0.00 64.86 65.04 3hbl h ILE 160 Cb 0.78 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3hbl h ILE 160 CO 0.01 0.24 -0.17 0.29 0.00 0.00 0.00 178.15 178.52 3hbl n LYS 161 N -4.61 1.46 0.00 2.37 4.01 -1.16 -1.25 118.16 118.98 3hbl n LYS 161 Ca -0.00 -0.68 0.00 0.00 -0.51 0.00 0.00 58.31 57.12 3hbl n LYS 161 Cb 0.17 -1.79 0.00 0.00 -0.51 0.00 0.00 35.03 32.91 3hbl n LYS 161 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hbl n ALA 162 N 2.48 0.08 -3.45 7.82 0.00 -0.96 -4.94 120.51 121.53 3hbl n ALA 162 Ca 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.56 3hbl n ALA 162 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.13 3hbl n ALA 162 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hbl n ASP 163 N 0.00 -2.28 -4.28 0.00 5.68 -0.38 -4.91 116.55 110.38 3hbl n ASP 163 Ca 0.00 -0.56 -0.34 0.00 -0.50 0.00 0.00 54.79 53.39 3hbl n ASP 163 Cb 0.16 -0.80 -0.15 0.00 -1.14 0.00 0.00 41.12 39.19 3hbl n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3hbl s LEU 164 N -4.57 2.63 0.48 -2.12 1.43 -0.99 -5.05 118.68 110.49 3hbl s LEU 164 Ca 0.10 -0.44 -0.21 0.00 -1.03 0.00 0.00 54.13 52.55 3hbl s LEU 164 Cb -0.05 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.45 3hbl s LEU 164 CO 0.47 0.05 1.04 -2.16 0.23 0.00 0.00 176.35 175.97 3hbl s PRO 165 N 1.05 3.84 0.08 1.29 0.04 -1.26 -4.65 135.00 135.39 3hbl s PRO 165 Ca -0.00 1.37 0.00 0.00 0.04 0.00 0.00 61.00 62.40 3hbl s PRO 165 Cb -0.15 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3hbl s PRO 165 CO -0.02 -0.40 0.00 0.28 0.04 0.00 0.00 177.00 176.89 3hbl n VAL 166 N -0.90 0.05 -1.46 -0.36 0.31 -1.26 -1.47 118.33 113.25 3hbl n VAL 166 Ca 0.09 0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 64.00 3hbl n VAL 166 Cb 0.52 -0.65 -0.01 0.00 -0.91 0.00 0.00 33.84 32.80 3hbl n VAL 166 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3hbl n ILE 167 N -2.85 1.78 -2.02 2.52 5.41 -1.26 -4.98 119.36 117.95 3hbl n ILE 167 Ca 0.00 -0.50 -0.36 0.00 1.00 0.00 0.00 62.75 62.89 3hbl n ILE 167 Cb 0.05 -0.46 0.03 0.00 -0.71 0.00 0.00 39.64 38.55 3hbl n ILE 167 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hbl s PRO 168 N -1.37 3.08 0.00 0.38 0.04 -1.26 -5.19 135.00 130.68 3hbl s PRO 168 Ca 0.62 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3hbl s PRO 168 Cb -0.72 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 31.81 3hbl s PRO 168 CO 0.58 -1.13 0.00 -0.89 0.04 0.00 0.00 177.00 175.61 3hbl n ILE 239 N -1.41 0.00 -2.25 0.56 5.41 -1.26 -5.27 119.36 115.14 3hbl n ILE 239 Ca 0.13 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.55 3hbl n ILE 239 Cb 0.49 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.41 3hbl n ILE 239 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hbl s ASP 240 N 0.00 6.04 0.00 4.38 -1.08 -1.26 -4.41 116.67 120.35 3hbl s ASP 240 Ca 0.00 1.84 0.00 0.00 -0.52 0.00 0.00 52.55 53.87 3hbl s ASP 240 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 3hbl s ASP 240 CO 0.00 -0.99 0.00 -0.46 0.52 0.00 0.00 175.17 174.24 3hbl n ASN 241 N -1.62 0.00 -4.85 -0.34 2.04 -1.26 -4.91 115.26 104.32 3hbl n ASN 241 Ca 0.09 0.00 -0.34 0.00 -0.44 0.00 0.00 54.58 53.89 3hbl n ASN 241 Cb 0.53 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.72 3hbl n ASN 241 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 3hbl s PRO 242 N -1.84 3.98 -0.11 -0.53 0.04 -1.26 -4.85 135.00 130.43 3hbl s PRO 242 Ca 0.00 0.54 -0.09 0.00 0.04 0.00 0.00 61.00 61.49 3hbl s PRO 242 Cb 0.00 -2.72 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 3hbl s PRO 242 CO 0.00 0.34 0.19 0.21 0.04 0.00 0.00 177.00 177.78 3hbl s LYS 243 N -2.46 3.62 -0.28 4.56 2.20 0.50 -1.74 119.74 126.14 3hbl s LYS 243 Ca 0.45 -0.04 -0.12 0.00 -0.36 0.00 0.00 55.97 55.91 3hbl s LYS 243 Cb -0.13 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 3hbl s LYS 243 CO 0.20 0.70 0.24 -1.58 -0.36 0.00 0.00 175.35 174.55 3hbl s HIS 244 N -0.86 3.23 -0.02 4.03 5.65 -1.26 0.09 115.29 126.16 3hbl s HIS 244 Ca 0.16 0.21 0.03 0.00 0.25 0.00 0.00 55.06 55.70 3hbl s HIS 244 Cb -0.13 -2.43 -0.00 0.00 -1.18 0.00 0.00 32.58 28.84 3hbl s HIS 244 CO 0.05 -0.17 -0.09 0.42 -0.65 0.00 0.00 174.74 174.30 3hbl s ILE 245 N 1.82 0.71 -0.02 0.89 -1.09 -1.25 -1.06 121.20 121.20 3hbl s ILE 245 Ca 0.09 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.17 3hbl s ILE 245 Cb -0.16 -0.62 0.01 0.00 -1.58 0.00 0.00 42.46 40.12 3hbl s ILE 245 CO 0.10 0.21 -0.03 -1.83 -1.23 0.00 0.00 174.94 172.16 3hbl s GLU 246 N 0.01 0.51 -0.17 2.79 -1.05 -0.91 0.07 118.70 119.94 3hbl s GLU 246 Ca 0.00 -0.09 -0.12 0.00 -0.15 0.00 0.00 54.97 54.62 3hbl s GLU 246 Cb -0.06 -0.56 -0.05 0.00 -0.44 0.00 0.00 34.13 33.03 3hbl s GLU 246 CO -0.00 -0.02 0.21 0.08 0.95 0.00 0.00 175.26 176.48 3hbl s VAL 247 N 0.52 5.36 0.21 1.83 1.01 -0.64 -0.59 120.40 128.10 3hbl s VAL 247 Ca -0.06 0.37 -0.28 0.00 0.00 0.00 0.00 61.98 62.01 3hbl s VAL 247 Cb -0.09 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 3hbl s VAL 247 CO -0.00 0.43 0.88 -1.58 0.00 0.00 0.00 175.10 174.82 3hbl s GLN 248 N 0.27 4.74 -0.01 2.72 2.00 0.04 -2.09 119.66 127.34 3hbl s GLN 248 Ca 0.13 1.36 -0.03 0.00 -2.00 0.00 0.00 55.36 54.82 3hbl s GLN 248 Cb -0.12 -3.28 -0.00 0.00 0.80 0.00 0.00 33.01 30.41 3hbl s GLN 248 CO 0.01 0.53 0.05 0.08 -0.50 0.00 0.00 175.29 175.47 3hbl s VAL 249 N -1.12 0.04 -0.04 1.34 1.01 -0.61 -1.32 120.40 119.70 3hbl s VAL 249 Ca 0.39 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3hbl s VAL 249 Cb -0.25 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 35.94 3hbl s VAL 249 CO 0.30 -0.19 -0.11 -0.63 0.00 0.00 0.00 175.10 174.47 3hbl s ILE 250 N -0.58 0.96 -0.03 2.22 -1.09 0.15 -1.49 121.20 121.34 3hbl s ILE 250 Ca -0.07 -0.42 0.05 0.00 -2.23 0.00 0.00 60.65 57.98 3hbl s ILE 250 Cb -0.04 -0.86 -0.01 0.00 -1.58 0.00 0.00 42.46 39.97 3hbl s ILE 250 CO 0.00 0.30 -0.17 -0.83 -1.23 0.00 0.00 174.94 173.01 3hbl s GLY 251 N 0.37 0.88 0.18 6.18 0.00 -0.87 -0.79 107.32 113.27 3hbl s GLY 251 Ca -0.07 -0.73 -0.00 0.00 0.00 0.00 0.00 44.72 43.92 3hbl s GLY 251 CO 0.02 -0.51 0.24 2.09 0.00 0.00 0.00 173.10 174.93 3hbl n ASP 252 N 2.85 0.29 -0.68 1.64 3.85 0.10 0.21 116.55 124.81 3hbl n ASP 252 Ca -0.16 -1.25 0.13 0.00 -0.71 0.00 0.00 54.79 52.80 3hbl n ASP 252 Cb 0.54 -0.16 0.31 0.00 -1.35 0.00 0.00 41.12 40.46 3hbl n ASP 252 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3hbl n GLU 253 N -1.45 1.89 -0.71 0.11 1.02 -1.26 -4.11 120.64 116.13 3hbl n GLU 253 Ca 0.04 -1.36 0.08 0.00 -0.02 0.00 0.00 57.16 55.90 3hbl n GLU 253 Cb 0.14 -1.47 0.36 0.00 -0.02 0.00 0.00 31.44 30.45 3hbl n GLU 253 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hbl n HIS 254 N 0.63 1.66 -1.01 -0.32 8.25 -1.26 -4.93 115.22 118.23 3hbl n HIS 254 Ca 0.16 -0.71 -0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3hbl n HIS 254 Cb 0.47 -0.38 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 3hbl n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hbl n GLY 255 N 0.61 0.47 3.63 -1.41 0.00 -1.26 -5.03 105.19 102.19 3hbl n GLY 255 Ca 0.26 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3hbl n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbl s ASN 256 N -2.48 5.82 -0.04 1.61 -0.87 -1.26 -4.98 114.94 112.74 3hbl s ASN 256 Ca 0.00 0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.36 3hbl s ASN 256 Cb 0.00 -2.03 0.03 0.00 -0.02 0.00 0.00 41.25 39.23 3hbl s ASN 256 CO 0.00 0.10 -0.01 -0.63 -2.57 0.00 0.00 177.10 173.99 3hbl s ILE 257 N 0.82 0.33 0.09 0.60 1.01 -1.26 0.01 121.20 122.80 3hbl s ILE 257 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.76 3hbl s ILE 257 Cb -0.13 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.90 3hbl s ILE 257 CO 0.02 0.19 -0.09 0.68 0.00 0.00 0.00 174.94 175.74 3hbl s VAL 258 N 1.14 0.82 0.18 2.92 -7.23 0.03 -4.99 120.40 113.28 3hbl s VAL 258 Ca -0.08 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 3hbl s VAL 258 Cb -0.14 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3hbl s VAL 258 CO -0.02 -0.59 0.20 -1.38 -0.31 0.00 0.00 175.10 173.01 3hbl s HIS 259 N -2.48 3.25 -0.42 2.82 -3.43 -1.26 -0.67 115.29 113.09 3hbl s HIS 259 Ca 0.04 -0.00 0.07 0.00 -0.80 0.00 0.00 55.06 54.36 3hbl s HIS 259 Cb -0.03 -1.53 0.43 0.00 -1.43 0.00 0.00 32.58 30.02 3hbl s HIS 259 CO -0.01 0.51 1.10 1.28 -2.00 0.00 0.00 174.74 175.62 3hbl n LEU 260 N -0.64 4.34 0.00 5.38 4.77 -0.43 -4.96 117.00 125.44 3hbl n LEU 260 Ca -0.08 -5.02 0.00 0.00 -0.03 0.00 0.00 56.01 50.88 3hbl n LEU 260 Cb 0.55 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3hbl n LEU 260 CO 0.45 2.15 0.00 0.49 -1.33 0.00 0.00 177.39 179.15 3hbl n PHE 261 N -0.44 -1.26 -4.56 -1.77 3.01 -1.26 -4.57 117.46 106.60 3hbl n PHE 261 Ca 0.36 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.56 3hbl n PHE 261 Cb 0.69 0.22 -0.10 0.00 -0.01 0.00 0.00 39.48 40.28 3hbl n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3hbl s GLU 262 N 0.00 1.86 -0.03 -1.08 1.03 -1.26 -0.78 118.70 118.44 3hbl s GLU 262 Ca 0.00 -2.06 0.03 0.00 0.03 0.00 0.00 54.97 52.97 3hbl s GLU 262 Cb 0.00 -1.28 -0.00 0.00 -0.80 0.00 0.00 34.13 32.05 3hbl s GLU 262 CO 0.00 -0.15 -0.13 1.03 -1.33 0.00 0.00 175.26 174.68 3hbl s ARG 263 N -3.79 1.26 -0.76 -4.83 0.52 0.24 -4.28 118.95 107.30 3hbl s ARG 263 Ca 0.33 -0.44 -0.20 0.00 -0.52 0.00 0.00 55.73 54.90 3hbl s ARG 263 Cb 0.08 -1.15 0.11 0.00 0.52 0.00 0.00 34.95 34.52 3hbl s ARG 263 CO 0.16 0.19 0.96 0.34 0.02 0.00 0.00 175.30 176.97 3hbl s ASP 264 N 0.05 6.39 -0.38 0.23 3.68 0.23 -2.13 116.67 124.74 3hbl s ASP 264 Ca -0.02 -1.61 0.04 0.00 2.13 0.00 0.00 52.55 53.09 3hbl s ASP 264 Cb -0.09 -2.37 0.58 0.00 -1.45 0.00 0.00 42.92 39.58 3hbl s ASP 264 CO 0.01 -1.17 1.78 0.00 0.13 0.00 0.00 175.17 175.92 3hbl h SER 266 N 0.96 0.00 -1.54 0.00 0.02 -1.79 -3.38 113.55 107.81 3hbl h SER 266 Ca 0.52 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 61.00 3hbl h SER 266 Cb 2.57 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 65.05 3hbl h SER 266 CO 0.93 0.35 1.15 -0.69 -1.14 0.00 0.00 176.83 177.43 3hbl s VAL 267 N -3.56 3.58 -0.06 2.27 1.01 -1.25 -3.77 120.40 118.63 3hbl s VAL 267 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 3hbl s VAL 267 Cb 0.10 -4.42 0.03 0.00 0.00 0.00 0.00 36.38 32.09 3hbl s VAL 267 CO 0.68 -1.36 0.32 0.00 0.00 0.00 0.00 175.10 174.74 3hbl s GLN 268 N 6.30 0.56 -0.00 2.72 -2.07 -1.26 -1.64 119.66 124.26 3hbl s GLN 268 Ca 0.56 0.06 -0.01 0.00 -1.82 0.00 0.00 55.36 54.14 3hbl s GLN 268 Cb -0.07 0.25 -0.01 0.00 -1.09 0.00 0.00 33.01 32.09 3hbl s GLN 268 CO 0.07 -0.13 0.59 -0.09 -1.32 0.00 0.00 175.29 174.41 3hbl h ARG 269 N 4.55 -0.05 0.00 9.60 2.43 -1.78 -3.45 114.38 125.68 3hbl h ARG 269 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3hbl h ARG 269 Cb 1.18 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3hbl h ARG 269 CO 0.36 -0.03 0.00 -2.13 -1.51 0.00 0.00 179.97 176.66 3hbl n ARG 270 N -2.23 0.00 -0.26 0.20 0.63 -1.26 -4.93 116.66 108.81 3hbl n ARG 270 Ca -0.01 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.89 3hbl n ARG 270 Cb 0.02 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.95 3hbl n ARG 270 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3hbl n HIS 271 N 0.00 0.34 -3.54 -0.14 8.25 -1.26 -4.64 115.22 114.23 3hbl n HIS 271 Ca 0.00 -0.81 -0.15 0.00 -0.26 0.00 0.00 57.72 56.50 3hbl n HIS 271 Cb 0.00 -0.41 -0.12 0.00 1.12 0.00 0.00 29.99 30.58 3hbl n HIS 271 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3hbl s GLN 272 N -0.38 0.20 0.19 -0.41 0.74 -1.26 -5.14 119.66 113.60 3hbl s GLN 272 Ca 0.07 0.48 -0.30 0.00 0.05 0.00 0.00 55.36 55.65 3hbl s GLN 272 Cb 0.05 -0.61 -0.09 0.00 1.10 0.00 0.00 33.01 33.47 3hbl s GLN 272 CO 0.01 -0.50 1.34 0.15 -0.55 0.00 0.00 175.29 175.74 3hbl s LYS 273 N 2.40 4.36 -0.06 1.67 1.02 -1.26 -2.14 119.74 125.73 3hbl s LYS 273 Ca 0.06 2.10 -0.05 0.00 0.02 0.00 0.00 55.97 58.09 3hbl s LYS 273 Cb -0.14 -3.19 -0.03 0.00 -0.52 0.00 0.00 37.83 33.95 3hbl s LYS 273 CO -0.11 -0.31 -0.12 0.28 -0.92 0.00 0.00 175.35 174.17 3hbl n VAL 274 N 2.78 0.78 -3.81 3.17 0.31 -0.65 -4.91 118.33 115.99 3hbl n VAL 274 Ca 0.07 0.02 -0.26 0.00 -0.01 0.00 0.00 64.34 64.17 3hbl n VAL 274 Cb 0.42 -1.70 -0.17 0.00 -0.91 0.00 0.00 33.84 31.49 3hbl n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hbl s VAL 275 N -2.21 0.67 0.12 2.52 1.01 -0.84 -2.78 120.40 118.88 3hbl s VAL 275 Ca -0.12 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3hbl s VAL 275 Cb 0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3hbl s VAL 275 CO 0.15 0.16 0.26 -1.61 0.00 0.00 0.00 175.10 174.06 3hbl s GLU 276 N 1.84 3.44 -0.03 2.72 8.01 -0.85 -3.87 118.70 129.96 3hbl s GLU 276 Ca 0.03 -0.53 -0.00 0.00 0.01 0.00 0.00 54.97 54.47 3hbl s GLU 276 Cb -0.14 -2.99 0.03 0.00 -4.31 0.00 0.00 34.13 26.72 3hbl s GLU 276 CO -0.07 0.55 0.02 0.08 0.01 0.00 0.00 175.26 175.86 3hbl s VAL 277 N -1.66 0.06 -0.04 2.63 1.01 -0.93 -1.94 120.40 119.53 3hbl s VAL 277 Ca 0.35 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3hbl s VAL 277 Cb -0.12 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3hbl s VAL 277 CO 0.28 0.15 -0.05 0.00 0.00 0.00 0.00 175.10 175.48 3hbl s ALA 278 N 1.38 0.67 1.17 5.51 0.00 -0.21 0.76 121.76 131.04 3hbl s ALA 278 Ca -0.05 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 51.66 3hbl s ALA 278 Cb -0.13 -0.40 0.28 0.00 0.00 0.00 0.00 23.12 22.87 3hbl s ALA 278 CO -0.03 0.01 1.17 -1.25 0.00 0.00 0.00 175.76 175.66 3hbl s PRO 279 N 0.85 -0.96 -0.13 0.00 0.04 -1.26 0.13 135.00 133.68 3hbl s PRO 279 Ca -0.12 -0.23 -0.29 0.00 0.04 0.00 0.00 61.00 60.40 3hbl s PRO 279 Cb -0.14 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 3hbl s PRO 279 CO 0.00 -3.51 1.36 0.45 0.04 0.00 0.00 177.00 175.35 3hbl s SER 280 N -4.21 6.88 -0.23 6.66 0.15 -1.26 -4.73 113.70 116.96 3hbl s SER 280 Ca 0.73 1.84 -0.16 0.00 0.70 0.00 0.00 55.95 59.05 3hbl s SER 280 Cb -0.07 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3hbl s SER 280 CO 0.55 -0.80 0.40 -0.69 1.20 0.00 0.00 173.24 173.91 3hbl s VAL 281 N 3.58 5.17 0.00 4.45 1.01 -1.26 -4.24 120.40 129.11 3hbl s VAL 281 Ca 0.59 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3hbl s VAL 281 Cb -0.25 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3hbl s VAL 281 CO 0.19 0.20 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3hbl n GLY 282 N 4.23 1.51 3.68 4.51 0.00 -1.26 -4.42 105.19 113.43 3hbl n GLY 282 Ca -0.08 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3hbl n GLY 282 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hbl s LEU 283 N 0.00 4.21 0.70 0.99 1.43 -1.26 -4.96 118.68 119.79 3hbl s LEU 283 Ca 0.00 1.55 -0.16 0.00 -1.03 0.00 0.00 54.13 54.48 3hbl s LEU 283 Cb 0.00 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.68 3hbl s LEU 283 CO 0.00 -0.53 1.14 -1.54 0.23 0.00 0.00 176.35 175.65 3hbl n SER 284 N 5.41 1.24 -0.23 2.29 3.41 -1.26 -4.77 113.62 119.71 3hbl n SER 284 Ca 0.10 0.73 -0.06 0.00 -0.26 0.00 0.00 58.87 59.38 3hbl n SER 284 Cb 0.48 -1.48 -0.05 0.00 -0.26 0.00 0.00 64.21 62.89 3hbl n SER 284 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3hbl n PRO 285 N -2.09 -0.24 0.26 4.33 -0.02 -1.26 -1.52 135.00 134.46 3hbl n PRO 285 Ca 0.14 1.12 0.16 0.00 -2.02 0.00 0.00 63.50 62.91 3hbl n PRO 285 Cb 0.49 -1.65 0.61 0.00 -0.02 0.00 0.00 33.50 32.92 3hbl n PRO 285 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3hbl h THR 286 N 0.00 0.00 -0.08 3.45 1.35 -2.00 -3.10 112.91 112.54 3hbl h THR 286 Ca 0.09 -0.56 -0.01 0.00 -0.55 0.00 0.00 66.41 65.38 3hbl h THR 286 Cb 0.22 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3hbl h THR 286 CO -0.52 0.00 0.03 0.25 -0.25 0.00 0.00 175.52 175.03 3hbl h LEU 287 N 0.00 0.11 -0.62 3.87 6.46 -1.62 -3.02 115.31 120.49 3hbl h LEU 287 Ca 0.00 -0.20 -0.15 0.00 -0.12 0.00 0.00 57.88 57.41 3hbl h LEU 287 Cb 0.57 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 3hbl h LEU 287 CO 0.00 0.28 -0.65 0.08 -0.62 0.00 0.00 178.44 177.53 3hbl h ARG 288 N -0.06 0.18 -0.78 1.25 0.11 -1.53 -3.25 114.38 110.30 3hbl h ARG 288 Ca 0.03 -0.13 0.06 0.00 0.10 0.00 0.00 59.98 60.03 3hbl h ARG 288 Cb 0.21 0.02 -0.06 0.00 1.11 0.00 0.00 29.97 31.25 3hbl h ARG 288 CO -0.00 0.76 0.46 1.96 0.10 0.00 0.00 179.97 183.25 3hbl h GLN 289 N 0.13 0.82 -0.12 0.08 1.08 -1.47 0.03 115.11 115.66 3hbl h GLN 289 Ca -0.01 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 56.97 3hbl h GLN 289 Cb 1.16 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 3hbl h GLN 289 CO 0.10 0.54 -0.62 0.00 -0.95 0.00 0.00 178.83 177.90 3hbl h ARG 290 N 0.85 0.44 -0.58 1.46 3.08 -1.59 -1.48 114.38 116.56 3hbl h ARG 290 Ca 0.34 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 3hbl h ARG 290 Cb 0.18 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3hbl h ARG 290 CO -0.18 0.92 0.01 0.82 -1.07 0.00 0.00 179.97 180.48 3hbl h ILE 291 N 0.32 1.26 0.08 2.04 2.04 -1.44 0.30 117.51 122.11 3hbl h ILE 291 Ca -0.01 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.74 3hbl h ILE 291 Cb 1.17 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3hbl h ILE 291 CO 0.11 0.40 -0.04 0.00 0.00 0.00 0.00 178.15 178.62 3hbl h ASP 293 N -0.16 0.67 -0.83 0.00 3.45 -1.02 -2.16 116.42 116.36 3hbl h ASP 293 Ca -0.01 -0.04 0.04 0.00 0.43 0.00 0.00 57.03 57.44 3hbl h ASP 293 Cb 0.13 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 38.68 3hbl h ASP 293 CO 0.02 0.54 0.53 0.00 -1.57 0.00 0.00 179.24 178.76 3hbl h ALA 294 N 1.58 1.11 -0.01 3.45 0.00 -0.27 0.19 119.26 125.31 3hbl h ALA 294 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hbl h ALA 294 Cb 0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3hbl h ALA 294 CO -0.03 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3hbl h ALA 295 N 1.36 0.01 -0.69 0.00 0.00 -1.06 -2.49 119.26 116.40 3hbl h ALA 295 Ca 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3hbl h ALA 295 Cb 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hbl h ALA 295 CO -0.13 -0.36 0.44 0.82 0.00 0.00 0.00 179.25 180.02 3hbl h ILE 296 N -0.23 1.11 -0.85 0.00 1.08 -1.16 -0.01 117.51 117.45 3hbl h ILE 296 Ca 0.00 -0.30 0.12 0.00 -0.39 0.00 0.00 64.86 64.30 3hbl h ILE 296 Cb 0.25 0.17 -0.09 0.00 -3.07 0.00 0.00 36.82 34.09 3hbl h ILE 296 CO 0.00 0.16 0.46 -0.61 -0.69 0.00 0.00 178.15 177.47 3hbl h GLN 297 N 0.87 0.69 0.30 2.37 4.15 -0.55 0.15 115.11 123.08 3hbl h GLN 297 Ca 0.27 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.63 3hbl h GLN 297 Cb -0.02 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.52 3hbl h GLN 297 CO -0.09 0.46 -0.15 1.25 -1.93 0.00 0.00 178.83 178.37 3hbl h LEU 298 N 0.71 -0.34 -0.14 -2.39 5.85 -0.90 -3.20 115.31 114.90 3hbl h LEU 298 Ca 0.44 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.94 3hbl h LEU 298 Cb 0.53 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 3hbl h LEU 298 CO -0.31 0.11 -0.06 0.24 -0.34 0.00 0.00 178.44 178.09 3hbl h MET 299 N -0.93 0.29 -0.47 1.25 2.86 -0.71 -2.65 114.93 114.56 3hbl h MET 299 Ca -0.04 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3hbl h MET 299 Cb 0.51 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 3hbl h MET 299 CO 0.07 0.60 0.31 1.49 1.06 0.00 0.00 176.91 180.45 3hbl h GLU 300 N -0.04 0.58 -0.72 1.72 4.22 -0.91 -2.03 114.58 117.40 3hbl h GLU 300 Ca 0.03 -0.03 -0.06 0.00 0.08 0.00 0.00 59.36 59.38 3hbl h GLU 300 Cb 0.51 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3hbl h GLU 300 CO 0.02 0.38 0.21 -0.97 -2.18 0.00 0.00 179.01 176.47 3hbl h ASN 301 N 0.59 1.06 -0.58 1.04 -1.24 -1.50 -3.24 115.58 111.73 3hbl h ASN 301 Ca 0.18 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.98 3hbl h ASN 301 Cb 0.00 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.77 3hbl h ASN 301 CO -0.04 1.00 0.00 2.30 -1.29 0.00 0.00 177.43 179.40 3hbl n ILE 302 N -4.24 1.09 -3.21 2.57 -6.64 -0.80 -4.93 119.36 103.19 3hbl n ILE 302 Ca 0.06 -0.87 -0.15 0.00 -1.77 0.00 0.00 62.75 60.01 3hbl n ILE 302 Cb 0.24 0.26 0.07 0.00 -1.44 0.00 0.00 39.64 38.76 3hbl n ILE 302 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3hbl n LYS 303 N 1.11 -5.60 -2.27 6.28 5.02 -1.10 -4.93 118.16 116.66 3hbl n LYS 303 Ca 0.21 0.66 -0.42 0.00 -2.02 0.00 0.00 58.31 56.73 3hbl n LYS 303 Cb 0.61 -5.14 -0.03 0.00 -0.02 0.00 0.00 35.03 30.45 3hbl n LYS 303 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hbl s TYR 304 N -3.27 3.33 -0.01 2.13 6.14 -0.97 -4.97 117.35 119.73 3hbl s TYR 304 Ca 0.18 1.10 0.06 0.00 0.64 0.00 0.00 57.07 59.05 3hbl s TYR 304 Cb -0.08 -3.57 -0.03 0.00 0.42 0.00 0.00 41.96 38.70 3hbl s TYR 304 CO 0.57 -1.92 -0.20 0.08 0.64 0.00 0.00 175.55 174.72 3hbl s VAL 305 N 1.07 2.59 0.05 3.14 1.01 -1.26 -4.47 120.40 122.54 3hbl s VAL 305 Ca 0.62 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3hbl s VAL 305 Cb -0.34 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3hbl s VAL 305 CO 0.30 0.51 0.00 -3.20 0.00 0.00 0.00 175.10 172.71 3hbl n ASN 306 N 2.14 -4.12 -4.70 3.32 2.85 0.56 -3.30 115.26 112.02 3hbl n ASN 306 Ca -0.17 0.25 -0.42 0.00 -0.11 0.00 0.00 54.58 54.14 3hbl n ASN 306 Cb 0.52 -0.71 -0.03 0.00 1.24 0.00 0.00 39.78 40.80 3hbl n ASN 306 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hbl s ALA 307 N -1.65 3.31 0.17 5.20 0.00 -1.26 -2.05 121.76 125.47 3hbl s ALA 307 Ca 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.31 3hbl s ALA 307 Cb 0.00 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3hbl s ALA 307 CO 0.00 -0.42 0.19 0.20 0.00 0.00 0.00 175.76 175.73 3hbl s GLY 308 N 1.04 0.93 -0.04 0.00 0.00 -0.56 -3.19 107.32 105.50 3hbl s GLY 308 Ca 0.48 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3hbl s GLY 308 CO 0.22 -1.14 -0.08 -1.59 0.00 0.00 0.00 173.10 170.50 3hbl s THR 309 N -4.05 0.76 -0.37 0.90 2.01 -0.40 -1.57 115.64 112.90 3hbl s THR 309 Ca 0.26 -0.31 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 3hbl s THR 309 Cb 0.05 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 71.90 3hbl s THR 309 CO 0.05 0.25 0.19 -0.69 -0.69 0.00 0.00 174.62 173.74 3hbl s VAL 310 N 0.45 4.36 0.56 3.82 1.01 -0.89 -0.34 120.40 129.36 3hbl s VAL 310 Ca -0.07 -1.00 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 3hbl s VAL 310 Cb -0.11 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3hbl s VAL 310 CO 0.01 -0.27 1.03 -1.61 0.00 0.00 0.00 175.10 174.26 3hbl s GLU 311 N 1.50 3.56 0.13 2.72 2.02 0.64 -1.62 118.70 127.66 3hbl s GLU 311 Ca 0.01 1.16 0.03 0.00 0.02 0.00 0.00 54.97 56.19 3hbl s GLU 311 Cb -0.20 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 31.95 3hbl s GLU 311 CO 0.05 -0.61 0.12 1.19 0.02 0.00 0.00 175.26 176.03 3hbl n PHE 312 N -1.74 -0.34 -3.70 1.61 3.01 0.11 -2.69 117.46 113.71 3hbl n PHE 312 Ca 0.08 -1.09 -0.13 0.00 1.01 0.00 0.00 57.45 57.33 3hbl n PHE 312 Cb 0.53 0.12 -0.13 0.00 -0.01 0.00 0.00 39.48 39.99 3hbl n PHE 312 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3hbl s LEU 313 N 0.00 0.05 -0.12 4.37 2.96 0.24 -3.91 118.68 122.27 3hbl s LEU 313 Ca 0.15 0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3hbl s LEU 313 Cb 0.01 0.77 -0.02 0.00 0.50 0.00 0.00 46.19 47.44 3hbl s LEU 313 CO 0.11 -0.20 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.16 3hbl s VAL 314 N 1.79 3.42 -0.13 1.68 1.01 0.11 -1.72 120.40 126.57 3hbl s VAL 314 Ca -0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 3hbl s VAL 314 Cb -0.11 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.89 3hbl s VAL 314 CO -0.09 0.53 0.26 -0.55 0.00 0.00 0.00 175.10 175.25 3hbl s SER 315 N 0.08 0.26 1.81 3.32 0.15 -1.15 -0.37 113.70 117.79 3hbl s SER 315 Ca -0.03 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.20 3hbl s SER 315 Cb -0.14 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 3hbl s SER 315 CO 0.04 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.86 3hbl n GLY 317 N 5.18 2.45 2.15 9.45 0.00 -1.26 -2.32 105.19 120.84 3hbl n GLY 317 Ca -0.09 0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3hbl n GLY 317 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hbl n ASP 318 N 10.55 3.83 -3.89 1.61 9.92 -1.26 -5.04 116.55 132.28 3hbl n ASP 318 Ca 0.00 -3.28 -0.19 0.00 -0.53 0.00 0.00 54.79 50.79 3hbl n ASP 318 Cb 0.00 -0.38 -0.16 0.00 -0.64 0.00 0.00 41.12 39.94 3hbl n ASP 318 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 3hbl s GLU 319 N -3.57 0.65 0.57 -1.24 -1.05 -0.98 -5.12 118.70 107.97 3hbl s GLU 319 Ca 0.44 -0.08 -0.14 0.00 -0.15 0.00 0.00 54.97 55.04 3hbl s GLU 319 Cb 0.38 -0.69 -0.06 0.00 -0.44 0.00 0.00 34.13 33.33 3hbl s GLU 319 CO 0.01 -0.05 1.01 -0.59 0.95 0.00 0.00 175.26 176.59 3hbl s PHE 320 N 0.74 3.52 -0.18 4.83 -0.12 -1.26 -2.95 117.98 122.57 3hbl s PHE 320 Ca -0.09 1.38 -0.04 0.00 -0.05 0.00 0.00 56.93 58.12 3hbl s PHE 320 Cb -0.12 -2.76 0.09 0.00 -0.63 0.00 0.00 43.02 39.59 3hbl s PHE 320 CO -0.00 -0.57 0.30 -0.06 -0.05 0.00 0.00 175.22 174.84 3hbl s PHE 321 N -2.91 -0.52 0.01 3.49 0.40 -0.70 -4.60 117.98 113.15 3hbl s PHE 321 Ca 0.57 0.84 -0.30 0.00 -0.60 0.00 0.00 56.93 57.44 3hbl s PHE 321 Cb -0.11 -0.05 -0.06 0.00 0.51 0.00 0.00 43.02 43.30 3hbl s PHE 321 CO 0.43 -0.50 1.57 0.12 0.70 0.00 0.00 175.22 177.54 3hbl s PHE 322 N 2.45 2.43 -0.18 0.36 2.19 -0.54 -0.59 117.98 124.10 3hbl s PHE 322 Ca 0.05 0.45 -0.16 0.00 0.33 0.00 0.00 56.93 57.59 3hbl s PHE 322 Cb -0.14 -3.85 -0.07 0.00 -1.31 0.00 0.00 43.02 37.66 3hbl s PHE 322 CO -0.11 -3.39 -0.33 -0.89 1.83 0.00 0.00 175.22 172.33 3hbl n ILE 323 N 4.94 1.47 -3.83 3.12 2.08 -1.10 -4.69 119.36 121.36 3hbl n ILE 323 Ca 0.15 0.06 -0.07 0.00 0.56 0.00 0.00 62.75 63.46 3hbl n ILE 323 Cb 0.42 -2.21 -0.00 0.00 -0.75 0.00 0.00 39.64 37.09 3hbl n ILE 323 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 3hbl s GLU 324 N -2.78 1.77 -0.08 0.38 -1.05 -1.25 -5.01 118.70 110.68 3hbl s GLU 324 Ca -0.29 -1.04 0.04 0.00 -0.15 0.00 0.00 54.97 53.53 3hbl s GLU 324 Cb 0.06 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 3hbl s GLU 324 CO 0.41 -0.82 -0.21 0.08 0.95 0.00 0.00 175.26 175.67 3hbl s VAL 325 N -3.25 1.80 -0.50 1.83 1.01 -1.26 -0.26 120.40 119.76 3hbl s VAL 325 Ca 0.13 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 61.08 3hbl s VAL 325 Cb -0.05 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.87 3hbl s VAL 325 CO 0.07 0.50 0.44 0.20 0.00 0.00 0.00 175.10 176.32 3hbl s ASN 326 N 0.34 6.15 -0.10 3.32 0.01 0.53 -4.91 114.94 120.27 3hbl s ASN 326 Ca -0.15 -1.55 -0.06 0.00 -0.71 0.00 0.00 52.86 50.39 3hbl s ASN 326 Cb -0.17 -2.19 -0.26 0.00 0.41 0.00 0.00 41.25 39.05 3hbl s ASN 326 CO 0.07 -0.74 3.58 -0.81 -1.51 0.00 0.00 177.10 177.69 3hbl n PRO 327 N 5.22 2.11 -2.46 -0.60 -0.04 -1.26 -1.28 135.00 136.69 3hbl n PRO 327 Ca -0.13 -1.08 -0.00 0.00 -0.04 0.00 0.00 63.50 62.24 3hbl n PRO 327 Cb 0.42 -2.05 0.01 0.00 -0.04 0.00 0.00 33.50 31.84 3hbl n PRO 327 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3hbl n ARG 328 N 2.56 0.18 -2.57 0.54 -4.01 -1.19 -4.67 116.66 107.50 3hbl n ARG 328 Ca 0.45 -0.47 -0.35 0.00 -1.04 0.00 0.00 57.85 56.44 3hbl n ARG 328 Cb 0.88 0.66 -0.04 0.00 -3.04 0.00 0.00 32.46 30.92 3hbl n ARG 328 CO 0.00 0.00 0.00 0.14 -3.04 0.00 0.00 177.63 174.73 3hbl s VAL 329 N -2.28 3.81 0.12 8.89 -7.23 -1.26 -4.27 120.40 118.18 3hbl s VAL 329 Ca 0.10 1.27 0.03 0.00 -1.81 0.00 0.00 61.98 61.56 3hbl s VAL 329 Cb -0.01 -3.60 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 3hbl s VAL 329 CO 0.01 -0.10 0.19 -1.10 -0.31 0.00 0.00 175.10 173.79 3hbl s GLN 330 N -2.80 3.19 0.36 4.82 -0.21 -1.26 -4.67 119.66 119.09 3hbl s GLN 330 Ca 0.61 -0.66 0.13 0.00 0.02 0.00 0.00 55.36 55.46 3hbl s GLN 330 Cb -0.19 -2.85 0.95 0.00 1.00 0.00 0.00 33.01 31.93 3hbl s GLN 330 CO 0.24 0.54 1.79 0.28 -2.12 0.00 0.00 175.29 176.01 3hbl h VAL 331 N 1.99 0.63 -0.15 1.09 2.07 -1.98 -1.41 116.25 118.48 3hbl h VAL 331 Ca -0.47 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3hbl h VAL 331 Cb 1.18 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3hbl h VAL 331 CO 0.68 0.10 0.00 -1.84 0.02 0.00 0.00 177.57 176.53 3hbl n GLU 332 N -4.66 1.46 -0.29 1.57 0.00 -1.26 -4.41 120.64 113.05 3hbl n GLU 332 Ca 0.23 -0.60 0.09 0.00 0.00 0.00 0.00 57.16 56.89 3hbl n GLU 332 Cb 0.72 -1.23 0.32 0.00 0.00 0.00 0.00 31.44 31.25 3hbl n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3hbl h HIS 333 N 0.92 0.92 -0.77 -1.84 2.07 -1.66 -2.92 115.15 111.87 3hbl h HIS 333 Ca 0.00 0.03 0.01 0.00 -2.85 0.00 0.00 60.37 57.55 3hbl h HIS 333 Cb 0.33 -0.29 -0.04 0.00 2.57 0.00 0.00 27.41 29.98 3hbl h HIS 333 CO 0.13 0.38 0.51 1.15 -3.07 0.00 0.00 177.93 177.04 3hbl h THR 334 N 0.82 1.20 -0.82 6.12 2.02 -1.85 -1.52 112.91 118.89 3hbl h THR 334 Ca 0.44 -0.36 0.16 0.00 0.77 0.00 0.00 66.41 67.41 3hbl h THR 334 Cb 0.54 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3hbl h THR 334 CO -0.20 0.19 0.54 -0.29 0.37 0.00 0.00 175.52 176.13 3hbl h ILE 335 N 1.05 0.79 0.21 3.11 2.10 -1.87 0.32 117.51 123.22 3hbl h ILE 335 Ca 0.28 -0.17 -0.34 0.00 1.08 0.00 0.00 64.86 65.72 3hbl h ILE 335 Cb -0.12 0.25 0.02 0.00 -1.09 0.00 0.00 36.82 35.88 3hbl h ILE 335 CO -0.06 0.09 -1.57 0.74 -1.08 0.00 0.00 178.15 176.27 3hbl h THR 336 N 0.49 1.17 -0.46 2.19 2.02 -1.45 -3.25 112.91 113.62 3hbl h THR 336 Ca 0.41 -2.67 0.05 0.00 0.77 0.00 0.00 66.41 64.96 3hbl h THR 336 Cb 0.86 2.92 -0.03 0.00 -1.74 0.00 0.00 68.15 70.16 3hbl h THR 336 CO -0.15 0.83 0.31 -0.33 0.37 0.00 0.00 175.52 176.55 3hbl h GLU 337 N 0.12 0.42 0.07 6.66 5.08 -0.73 -1.01 114.58 125.19 3hbl h GLU 337 Ca -0.28 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 57.79 3hbl h GLU 337 Cb 2.12 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 31.29 3hbl h GLU 337 CO 0.23 0.28 -1.13 0.52 -1.00 0.00 0.00 179.01 177.91 3hbl h MET 338 N 0.43 0.51 0.07 2.33 2.86 -1.05 0.25 114.93 120.34 3hbl h MET 338 Ca 0.19 -0.65 -0.25 0.00 -2.06 0.00 0.00 59.70 56.94 3hbl h MET 338 Cb 0.22 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3hbl h MET 338 CO -0.05 1.26 -1.21 -0.39 1.06 0.00 0.00 176.91 177.59 3hbl h VAL 339 N 0.25 1.50 0.00 -2.22 -1.51 -1.57 -3.36 116.25 109.34 3hbl h VAL 339 Ca -0.14 -3.16 -0.17 0.00 -1.23 0.00 0.00 66.70 62.01 3hbl h VAL 339 Cb 1.79 2.85 -0.03 0.00 -2.13 0.00 0.00 31.29 33.77 3hbl h VAL 339 CO 0.21 0.89 -1.55 0.35 -1.23 0.00 0.00 177.57 176.24 3hbl n THR 340 N -3.41 1.07 -0.96 7.19 -2.24 -0.39 0.37 114.28 115.91 3hbl n THR 340 Ca -0.06 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3hbl n THR 340 Cb 0.99 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3hbl n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hbl n GLY 341 N 1.41 0.46 3.73 3.38 0.00 0.88 -4.81 105.19 110.25 3hbl n GLY 341 Ca -0.11 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 3hbl n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 342 N -2.00 5.08 -0.60 -0.61 1.09 -1.18 -5.02 121.20 117.96 3hbl s ILE 342 Ca 0.00 0.06 -0.27 0.00 -1.10 0.00 0.00 60.65 59.34 3hbl s ILE 342 Cb 0.00 -3.26 0.03 0.00 -1.06 0.00 0.00 42.46 38.18 3hbl s ILE 342 CO 0.00 0.52 1.13 -0.62 -0.10 0.00 0.00 174.94 175.87 3hbl s ASP 343 N -0.21 6.36 0.01 3.58 3.68 -1.26 -4.40 116.67 124.43 3hbl s ASP 343 Ca 0.09 -0.16 -0.24 0.00 2.13 0.00 0.00 52.55 54.38 3hbl s ASP 343 Cb -0.12 -2.52 -0.17 0.00 -1.45 0.00 0.00 42.92 38.66 3hbl s ASP 343 CO 0.01 -1.47 1.34 0.40 0.13 0.00 0.00 175.17 175.58 3hbl h ILE 344 N 6.09 1.34 -0.26 4.11 2.04 -1.96 -2.38 117.51 126.50 3hbl h ILE 344 Ca -0.26 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.53 3hbl h ILE 344 Cb 1.06 1.95 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 3hbl h ILE 344 CO 1.18 0.30 0.12 0.58 0.00 0.00 0.00 178.15 180.33 3hbl h VAL 345 N -0.28 0.99 -0.21 1.67 2.07 -1.98 -0.63 116.25 117.88 3hbl h VAL 345 Ca 0.01 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.50 3hbl h VAL 345 Cb 0.49 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3hbl h VAL 345 CO 0.01 0.05 -0.21 0.50 0.02 0.00 0.00 177.57 177.94 3hbl h LYS 346 N 0.26 -0.22 -0.88 1.57 1.63 -1.92 -2.03 116.57 114.98 3hbl h LYS 346 Ca 0.11 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 59.99 3hbl h LYS 346 Cb 0.03 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.65 3hbl h LYS 346 CO -0.08 -0.15 0.57 1.15 -3.45 0.00 0.00 179.45 177.50 3hbl h THR 347 N -0.23 1.04 0.12 1.00 2.02 -0.87 -1.89 112.91 114.10 3hbl h THR 347 Ca 0.13 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3hbl h THR 347 Cb 0.42 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 3hbl h THR 347 CO -0.34 0.18 -0.38 1.56 0.37 0.00 0.00 175.52 176.91 3hbl h GLN 348 N 0.96 -0.58 -0.51 6.66 4.20 -0.40 0.16 115.11 125.60 3hbl h GLN 348 Ca 0.39 0.04 0.10 0.00 0.06 0.00 0.00 58.65 59.24 3hbl h GLN 348 Cb 0.26 0.13 -0.09 0.00 0.30 0.00 0.00 27.48 28.08 3hbl h GLN 348 CO -0.15 -0.39 -0.03 0.82 -0.67 0.00 0.00 178.83 178.41 3hbl h ILE 349 N -0.61 0.57 -0.64 2.54 1.08 -1.06 -0.98 117.51 118.42 3hbl h ILE 349 Ca 0.03 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.39 3hbl h ILE 349 Cb 0.64 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 3hbl h ILE 349 CO -0.22 0.02 0.11 -0.07 -0.69 0.00 0.00 178.15 177.30 3hbl h LEU 350 N 0.09 1.00 -0.54 1.44 3.38 -1.07 0.14 115.31 119.75 3hbl h LEU 350 Ca 0.26 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hbl h LEU 350 Cb 0.39 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hbl h LEU 350 CO -0.45 1.00 0.31 0.58 0.09 0.00 0.00 178.44 179.97 3hbl h VAL 351 N 0.96 1.17 -0.20 1.22 2.07 -0.47 -1.01 116.25 119.99 3hbl h VAL 351 Ca 0.19 -0.41 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3hbl h VAL 351 Cb 0.42 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3hbl h VAL 351 CO 0.01 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.73 3hbl h ALA 352 N 1.14 1.54 0.00 1.67 0.00 -0.79 -1.19 119.26 121.64 3hbl h ALA 352 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hbl h ALA 352 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hbl h ALA 352 CO -0.03 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3hbl h ALA 353 N 1.66 1.00 0.00 0.00 0.00 0.02 -3.47 119.26 118.46 3hbl h ALA 353 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hbl h ALA 353 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hbl h ALA 353 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3hbl n GLY 354 N 0.11 0.89 3.85 0.00 0.00 -0.45 -4.29 105.19 105.30 3hbl n GLY 354 Ca 0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3hbl n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl s ALA 355 N -2.00 3.17 0.35 4.61 0.00 -0.48 -4.92 121.76 122.49 3hbl s ALA 355 Ca 0.00 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 3hbl s ALA 355 Cb 0.00 -2.98 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 3hbl s ALA 355 CO 0.00 -0.00 1.11 0.34 0.00 0.00 0.00 175.76 177.21 3hbl s ASP 356 N -2.74 6.90 0.33 0.00 -1.08 -1.26 -4.57 116.67 114.25 3hbl s ASP 356 Ca 0.57 2.24 0.04 0.00 -0.52 0.00 0.00 52.55 54.88 3hbl s ASP 356 Cb -0.10 -2.61 0.57 0.00 -1.46 0.00 0.00 42.92 39.32 3hbl s ASP 356 CO 0.24 -0.40 1.85 0.25 0.52 0.00 0.00 175.17 177.63 3hbl h LEU 357 N 3.10 0.49 -3.19 -1.34 7.12 -1.96 -3.15 115.31 116.39 3hbl h LEU 357 Ca -0.48 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 57.43 3hbl h LEU 357 Cb 1.22 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 41.22 3hbl h LEU 357 CO 0.64 0.59 0.00 0.49 -0.13 0.00 0.00 178.44 180.04 3hbl n PHE 357 N -4.25 0.72 -2.46 1.25 3.01 -1.26 -3.21 117.46 111.25 3hbl n PHE 357 Ca 0.01 -0.89 -0.24 0.00 1.01 0.00 0.00 57.45 57.34 3hbl n PHE 357 Cb 0.27 -0.27 0.11 0.00 -0.01 0.00 0.00 39.48 39.58 3hbl n PHE 357 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3hbl s GLY 357 N -2.11 1.76 0.00 1.37 0.00 -1.19 -4.81 107.32 102.34 3hbl s GLY 357 Ca 0.39 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3hbl s GLY 357 CO 0.08 -0.99 0.31 1.18 0.00 0.00 0.00 173.10 173.68 3hbl n GLU 358 N -2.94 0.36 -0.03 2.90 1.02 -1.26 -1.08 120.64 119.61 3hbl n GLU 358 Ca 0.14 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.24 3hbl n GLU 358 Cb 0.60 -1.05 -0.01 0.00 -0.02 0.00 0.00 31.44 30.96 3hbl n GLU 358 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hbl n GLU 359 N -0.28 0.24 0.11 3.49 4.07 -1.26 -4.69 120.64 122.33 3hbl n GLU 359 Ca 0.00 0.10 -0.02 0.00 -0.06 0.00 0.00 57.16 57.18 3hbl n GLU 359 Cb 0.02 -0.88 -0.01 0.00 -0.06 0.00 0.00 31.44 30.52 3hbl n GLU 359 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3hbl h ILE 360 N -0.46 1.27 -1.59 6.31 2.04 -1.71 -3.48 117.51 119.90 3hbl h ILE 360 Ca 0.00 -2.69 -0.32 0.00 1.00 0.00 0.00 64.86 62.85 3hbl h ILE 360 Cb 0.46 2.56 -0.11 0.00 -0.74 0.00 0.00 36.82 38.99 3hbl h ILE 360 CO 0.00 0.70 -0.31 0.59 0.00 0.00 0.00 178.15 179.13 3hbl n ASN 361 N -3.33 -4.26 -4.75 1.72 4.13 -0.24 -4.92 115.26 103.61 3hbl n ASN 361 Ca 0.01 0.35 -0.42 0.00 1.68 0.00 0.00 54.58 56.20 3hbl n ASN 361 Cb 0.80 -3.83 -0.01 0.00 -1.54 0.00 0.00 39.78 35.20 3hbl n ASN 361 CO 0.00 0.00 0.00 0.80 0.28 0.00 0.00 177.26 178.34 3hbl n MET 362 N -2.18 2.69 -1.84 3.52 1.56 -1.20 -5.00 117.12 114.68 3hbl n MET 362 Ca -0.16 0.95 -0.30 0.00 -0.27 0.00 0.00 57.70 57.92 3hbl n MET 362 Cb 0.54 -2.72 0.05 0.00 2.15 0.00 0.00 33.22 33.24 3hbl n MET 362 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3hbl s PRO 362 N -0.83 2.79 0.58 2.12 0.02 -1.26 -4.65 135.00 133.77 3hbl s PRO 362 Ca 0.62 0.50 -0.20 0.00 0.02 0.00 0.00 61.00 61.94 3hbl s PRO 362 Cb -0.49 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.98 3hbl s PRO 362 CO 0.52 -1.09 1.30 -0.65 -0.33 0.00 0.00 177.00 176.74 3hbl s GLN 363 N -5.32 2.96 0.34 5.54 -1.52 -1.26 -4.67 119.66 115.73 3hbl s GLN 363 Ca 0.58 2.07 0.10 0.00 -1.95 0.00 0.00 55.36 56.17 3hbl s GLN 363 Cb -0.11 -2.07 0.88 0.00 -0.22 0.00 0.00 33.01 31.48 3hbl s GLN 363 CO 0.52 -1.28 1.77 0.37 -0.25 0.00 0.00 175.29 176.42 3hbl h GLN 364 N 1.09 0.60 0.00 2.91 5.75 -1.96 0.64 115.11 124.15 3hbl h GLN 364 Ca -0.51 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 57.87 3hbl h GLN 364 Cb 1.31 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 3hbl h GLN 364 CO 0.56 0.40 -0.40 1.57 -2.65 0.00 0.00 178.83 178.30 3hbl h LYS 365 N 0.62 0.00 0.00 1.69 2.10 -2.00 -3.06 116.57 115.92 3hbl h LYS 365 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 3hbl h LYS 365 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3hbl h LYS 365 CO -0.36 0.40 -0.59 -0.25 -2.00 0.00 0.00 179.45 176.64 3hbl n ASP 366 N -4.01 0.57 -4.66 7.07 8.00 0.19 -4.81 116.55 118.91 3hbl n ASP 366 Ca -0.02 -0.09 -0.43 0.00 0.71 0.00 0.00 54.79 54.96 3hbl n ASP 366 Cb 0.44 0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.78 3hbl n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hbl s ILE 367 N -3.08 4.54 0.30 0.53 1.01 0.55 -4.86 121.20 120.19 3hbl s ILE 367 Ca 0.08 1.85 0.05 0.00 0.00 0.00 0.00 60.65 62.63 3hbl s ILE 367 Cb 0.16 -4.25 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 3hbl s ILE 367 CO 0.71 -0.23 0.24 0.42 0.00 0.00 0.00 174.94 176.08 3hbl s THR 368 N 3.39 0.02 -0.06 2.92 -4.23 -1.26 -4.97 115.64 111.45 3hbl s THR 368 Ca 0.47 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.92 3hbl s THR 368 Cb -0.16 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 3hbl s THR 368 CO 0.10 0.00 0.20 0.42 -0.54 0.00 0.00 174.62 174.80 3hbl s THR 369 N -3.61 5.42 -0.27 3.99 -4.23 -1.26 -4.23 115.64 111.45 3hbl s THR 369 Ca 0.40 0.16 0.02 0.00 -1.18 0.00 0.00 61.69 61.08 3hbl s THR 369 Cb 0.03 -3.49 0.06 0.00 1.34 0.00 0.00 72.50 70.44 3hbl s THR 369 CO 0.24 0.49 -0.08 -0.22 -0.54 0.00 0.00 174.62 174.50 3hbl s LEU 370 N -1.40 3.52 0.00 4.79 2.96 0.16 -4.99 118.68 123.72 3hbl s LEU 370 Ca 0.21 -1.34 0.00 0.00 -0.22 0.00 0.00 54.13 52.78 3hbl s LEU 370 Cb -0.13 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 44.97 3hbl s LEU 370 CO 0.11 -0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.55 3hbl n GLY 371 N 4.48 -0.00 3.13 7.98 0.00 -1.26 -4.48 105.19 115.04 3hbl n GLY 371 Ca -0.14 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 3hbl n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hbl s TYR 372 N 0.00 0.94 0.01 1.61 1.51 -0.19 -4.55 117.35 116.67 3hbl s TYR 372 Ca 0.00 -0.58 0.03 0.00 -1.01 0.00 0.00 57.07 55.51 3hbl s TYR 372 Cb 0.00 -0.53 -0.01 0.00 -0.11 0.00 0.00 41.96 41.30 3hbl s TYR 372 CO 0.00 -0.03 -0.11 0.00 -1.11 0.00 0.00 175.55 174.30 3hbl s ALA 373 N -1.91 0.87 0.06 3.71 0.00 0.12 -2.67 121.76 121.94 3hbl s ALA 373 Ca -0.01 -0.57 0.08 0.00 0.00 0.00 0.00 51.96 51.45 3hbl s ALA 373 Cb -0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3hbl s ALA 373 CO 0.00 0.17 -0.22 0.42 0.00 0.00 0.00 175.76 176.14 3hbl s ILE 374 N -0.55 1.79 -0.04 0.00 1.01 -0.53 -1.04 121.20 121.83 3hbl s ILE 374 Ca 0.01 -1.31 0.03 0.00 0.00 0.00 0.00 60.65 59.38 3hbl s ILE 374 Cb -0.06 -1.57 0.00 0.00 0.01 0.00 0.00 42.46 40.85 3hbl s ILE 374 CO 0.00 0.19 -0.12 -1.58 0.00 0.00 0.00 174.94 173.43 3hbl s GLN 375 N -1.33 1.45 -0.00 2.79 0.74 -0.82 -1.09 119.66 121.40 3hbl s GLN 375 Ca 0.08 -0.43 0.07 0.00 0.05 0.00 0.00 55.36 55.14 3hbl s GLN 375 Cb -0.09 -1.26 -0.02 0.00 1.10 0.00 0.00 33.01 32.73 3hbl s GLN 375 CO 0.02 0.12 -0.23 0.00 -0.55 0.00 0.00 175.29 174.65 3hbl s ARG 377 N -0.87 4.25 -0.21 0.00 3.00 -1.12 -1.69 118.95 122.31 3hbl s ARG 377 Ca 0.11 0.42 -0.00 0.00 0.00 0.00 0.00 55.73 56.26 3hbl s ARG 377 Cb -0.10 -3.39 0.02 0.00 0.00 0.00 0.00 34.95 31.48 3hbl s ARG 377 CO 0.01 0.28 -0.14 0.42 0.00 0.00 0.00 175.30 175.87 3hbl s ILE 378 N 0.22 2.45 0.30 1.52 -1.09 0.17 -4.90 121.20 119.89 3hbl s ILE 378 Ca 0.25 -0.96 0.05 0.00 -2.23 0.00 0.00 60.65 57.76 3hbl s ILE 378 Cb -0.15 -2.14 -0.06 0.00 -1.58 0.00 0.00 42.46 38.53 3hbl s ILE 378 CO 0.10 0.39 0.01 0.42 -1.23 0.00 0.00 174.94 174.63 3hbl s THR 379 N 1.31 1.39 0.35 2.92 -4.23 -1.26 -0.39 115.64 115.73 3hbl s THR 379 Ca 0.03 -2.05 0.19 0.00 -1.18 0.00 0.00 61.69 58.68 3hbl s THR 379 Cb -0.15 -2.63 0.18 0.00 1.34 0.00 0.00 72.50 71.24 3hbl s THR 379 CO -0.09 -0.15 1.91 0.71 -0.54 0.00 0.00 174.62 176.46 3hbl h THR 380 N 2.19 0.94 -4.22 3.99 1.35 -1.87 -3.40 112.91 111.89 3hbl h THR 380 Ca -0.40 -1.00 -0.50 0.00 -0.55 0.00 0.00 66.41 63.96 3hbl h THR 380 Cb 1.24 1.58 0.14 0.00 -1.73 0.00 0.00 68.15 69.37 3hbl h THR 380 CO 0.69 0.26 0.29 -1.83 -0.25 0.00 0.00 175.52 174.68 3hbl s GLU 381 N -4.13 1.86 0.03 4.72 -1.05 -1.25 -4.27 118.70 114.61 3hbl s GLU 381 Ca -0.02 1.03 -0.14 0.00 -0.15 0.00 0.00 54.97 55.69 3hbl s GLU 381 Cb 0.13 -1.86 0.02 0.00 -0.44 0.00 0.00 34.13 31.98 3hbl s GLU 381 CO 0.67 -1.88 0.29 0.16 0.95 0.00 0.00 175.26 175.45 3hbl s ASP 382 N -3.41 -0.12 0.43 0.83 -4.77 -1.26 -4.11 116.67 104.26 3hbl s ASP 382 Ca 0.62 -0.14 0.30 0.00 -3.30 0.00 0.00 52.55 50.02 3hbl s ASP 382 Cb -0.17 0.34 1.34 0.00 -1.09 0.00 0.00 42.92 43.33 3hbl s ASP 382 CO 0.56 -0.57 1.89 1.55 0.70 0.00 0.00 175.17 179.30 3hbl h PRO 383 N 3.40 0.00 0.00 2.11 0.13 -1.90 0.55 132.00 136.29 3hbl h PRO 383 Ca -0.31 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.74 3hbl h PRO 383 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3hbl h PRO 383 CO 0.45 0.00 -0.36 -0.07 -0.23 0.00 0.00 178.00 177.79 3hbl h LEU 384 N 0.00 0.00 -4.78 1.56 3.38 -1.95 -3.35 115.31 110.17 3hbl h LEU 384 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3hbl h LEU 384 Cb 0.32 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.66 3hbl h LEU 384 CO 0.00 0.36 -0.99 -3.20 0.09 0.00 0.00 178.44 174.70 3hbl n ASN 385 N -3.45 2.91 -4.18 -0.43 5.15 -1.04 -4.99 115.26 109.23 3hbl n ASN 385 Ca 0.00 -3.14 -0.36 0.00 -0.60 0.00 0.00 54.58 50.48 3hbl n ASN 385 Cb 0.53 -0.49 -0.04 0.00 -0.53 0.00 0.00 39.78 39.24 3hbl n ASN 385 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3hbl n ASP 386 N -0.27 -2.81 -3.39 1.20 8.00 -1.19 -2.51 116.55 115.58 3hbl n ASP 386 Ca 0.22 -0.96 -0.11 0.00 0.71 0.00 0.00 54.79 54.65 3hbl n ASP 386 Cb 0.76 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.51 3hbl n ASP 386 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hbl n PHE 387 N -4.16 -2.55 -4.09 1.24 3.72 0.16 -4.98 117.46 106.80 3hbl n PHE 387 Ca 0.08 0.99 -0.32 0.00 -0.05 0.00 0.00 57.45 58.15 3hbl n PHE 387 Cb 0.48 -3.52 -0.16 0.00 -0.94 0.00 0.00 39.48 35.34 3hbl n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3hbl s MET 388 N -3.92 2.68 -0.42 -1.08 -1.94 -1.04 -4.84 119.30 108.75 3hbl s MET 388 Ca 0.01 -0.91 -0.27 0.00 -1.71 0.00 0.00 55.69 52.81 3hbl s MET 388 Cb -0.00 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 3hbl s MET 388 CO 0.82 -0.30 2.03 -2.14 -0.01 0.00 0.00 175.02 175.41 3hbl s PRO 389 N 1.28 2.84 0.45 2.03 0.02 -1.26 -3.96 135.00 136.41 3hbl s PRO 389 Ca 0.02 1.33 -0.08 0.00 0.02 0.00 0.00 61.00 62.28 3hbl s PRO 389 Cb -0.15 -4.36 -0.05 0.00 0.02 0.00 0.00 34.50 29.96 3hbl s PRO 389 CO -0.11 -2.44 0.79 -0.51 -0.33 0.00 0.00 177.00 174.40 3hbl s ASP 390 N 8.37 6.38 0.00 2.53 -0.00 -1.26 -4.89 116.67 127.80 3hbl s ASP 390 Ca 0.84 1.06 0.00 0.00 -0.00 0.00 0.00 52.55 54.45 3hbl s ASP 390 Cb -0.21 -2.30 0.00 0.00 -0.00 0.00 0.00 42.92 40.41 3hbl s ASP 390 CO 0.29 -0.51 0.00 0.41 -0.00 0.00 0.00 175.17 175.36 3hbl n THR 391 N -1.83 0.00 -0.45 -1.27 -1.04 -1.26 -4.85 114.28 103.57 3hbl n THR 391 Ca 0.02 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.03 3hbl n THR 391 Cb 0.54 -0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.05 3hbl n THR 391 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hbl n GLY 392 N 4.87 -3.13 3.77 3.41 0.00 -1.26 -4.79 105.19 108.05 3hbl n GLY 392 Ca 0.00 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3hbl n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbl s THR 393 N -4.29 4.82 -0.54 2.61 2.01 -1.26 -3.85 115.64 115.14 3hbl s THR 393 Ca 0.00 1.35 -0.25 0.00 0.31 0.00 0.00 61.69 63.10 3hbl s THR 393 Cb 0.00 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.57 3hbl s THR 393 CO 0.00 0.43 0.99 -0.63 -0.69 0.00 0.00 174.62 174.71 3hbl s ILE 394 N -0.32 4.34 0.32 1.82 1.01 -1.26 -4.51 121.20 122.59 3hbl s ILE 394 Ca 0.33 0.49 0.14 0.00 0.00 0.00 0.00 60.65 61.61 3hbl s ILE 394 Cb -0.19 -4.55 0.09 0.00 0.01 0.00 0.00 42.46 37.81 3hbl s ILE 394 CO 0.19 -1.10 1.78 0.16 0.00 0.00 0.00 174.94 175.97 3hbl h ILE 395 N 6.06 1.19 -2.93 2.92 3.07 -1.82 -3.21 117.51 122.80 3hbl h ILE 395 Ca -0.25 -1.44 -0.14 0.00 1.55 0.00 0.00 64.86 64.57 3hbl h ILE 395 Cb 1.07 1.80 -0.25 0.00 -0.27 0.00 0.00 36.82 39.17 3hbl h ILE 395 CO 1.09 0.40 -0.33 0.00 -1.05 0.00 0.00 178.15 178.26 3hbl s ALA 396 N -3.97 -0.82 -0.08 0.16 0.00 -1.26 -4.27 121.76 111.51 3hbl s ALA 396 Ca -0.02 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.92 3hbl s ALA 396 Cb 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3hbl s ALA 396 CO 0.72 -0.16 -0.22 -0.47 0.00 0.00 0.00 175.76 175.63 3hbl s TYR 397 N 0.20 2.28 -0.18 0.00 6.14 -1.26 -4.10 117.35 120.43 3hbl s TYR 397 Ca -0.00 -0.86 -0.04 0.00 0.64 0.00 0.00 57.07 56.82 3hbl s TYR 397 Cb -0.02 -1.53 0.06 0.00 0.42 0.00 0.00 41.96 40.88 3hbl s TYR 397 CO 0.00 -0.34 0.05 1.03 0.64 0.00 0.00 175.55 176.94 3hbl s ARG 398 N 0.28 0.43 0.05 4.97 0.52 -1.26 -5.04 118.95 118.90 3hbl s ARG 398 Ca -0.14 -0.28 -0.00 0.00 -0.52 0.00 0.00 55.73 54.79 3hbl s ARG 398 Cb -0.16 -1.96 0.01 0.00 0.52 0.00 0.00 34.95 33.35 3hbl s ARG 398 CO 0.07 -0.64 0.06 0.43 0.02 0.00 0.00 175.30 175.24 3hbl n SER 399 N 5.14 0.04 0.00 0.23 7.64 -1.26 -4.53 113.62 120.88 3hbl n SER 399 Ca -0.08 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.75 3hbl n SER 399 Cb 0.48 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 3hbl n SER 399 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hbl n SER 400 N -3.02 0.00 0.00 6.43 3.41 -1.26 -4.91 113.62 114.27 3hbl n SER 400 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3hbl n SER 400 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3hbl n SER 400 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hbl n GLY 401 N 0.00 3.70 0.00 5.00 0.00 -1.26 -5.11 105.19 107.52 3hbl n GLY 401 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 3hbl n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 402 N -1.93 3.84 3.63 -0.02 0.00 -1.26 -4.91 105.19 104.54 3hbl n GLY 402 Ca 0.00 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 3hbl n GLY 402 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hbl n PHE 403 N -1.51 2.26 -3.07 1.61 -0.00 -1.26 -1.18 117.46 114.32 3hbl n PHE 403 Ca 0.00 -0.22 -0.13 0.00 -0.00 0.00 0.00 57.45 57.09 3hbl n PHE 403 Cb 0.00 -2.75 0.05 0.00 -0.00 0.00 0.00 39.48 36.78 3hbl n PHE 403 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hbl n GLY 404 N 5.05 -0.03 2.71 7.13 0.00 -1.26 -4.63 105.19 114.16 3hbl n GLY 404 Ca 0.25 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3hbl n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbl s VAL 405 N -3.21 1.08 -0.25 1.61 1.01 -0.32 -0.33 120.40 119.98 3hbl s VAL 405 Ca 0.21 -1.92 -0.11 0.00 0.00 0.00 0.00 61.98 60.17 3hbl s VAL 405 Cb -0.09 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 3hbl s VAL 405 CO 0.46 -0.79 0.17 -0.60 0.00 0.00 0.00 175.10 174.34 3hbl s ARG 406 N 1.04 4.02 -0.72 2.72 6.06 -0.49 -4.31 118.95 127.25 3hbl s ARG 406 Ca 0.14 -0.29 -0.06 0.00 -2.50 0.00 0.00 55.73 53.02 3hbl s ARG 406 Cb -0.21 -3.57 0.19 0.00 0.06 0.00 0.00 34.95 31.42 3hbl s ARG 406 CO -0.12 -0.03 0.58 -0.51 -2.50 0.00 0.00 175.30 172.72 3hbl s LEU 407 N 1.31 5.67 -0.96 -0.88 1.02 -1.26 -2.48 118.68 121.10 3hbl s LEU 407 Ca 0.07 -2.96 -0.24 0.00 0.02 0.00 0.00 54.13 51.02 3hbl s LEU 407 Cb -0.14 -1.96 -0.06 0.00 0.02 0.00 0.00 46.19 44.05 3hbl s LEU 407 CO 0.07 -0.39 1.95 -1.81 0.02 0.00 0.00 176.35 176.19 3hbl s ASP 408 N 0.92 5.10 0.13 2.29 1.01 -1.08 -4.94 116.67 120.10 3hbl s ASP 408 Ca 0.19 -0.86 -0.31 0.00 0.71 0.00 0.00 52.55 52.28 3hbl s ASP 408 Cb -0.16 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.10 3hbl s ASP 408 CO -0.06 -2.83 1.76 0.00 0.21 0.00 0.00 175.17 174.25 3hbl s ALA 409 N 10.35 3.78 0.00 5.23 0.00 -1.26 -3.63 121.76 136.23 3hbl s ALA 409 Ca 0.70 1.43 0.00 0.00 0.00 0.00 0.00 51.96 54.09 3hbl s ALA 409 Cb -0.06 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.33 3hbl s ALA 409 CO 0.02 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.07 3hbl n GLY 410 N 4.11 1.63 0.23 0.00 0.00 -1.24 -3.71 105.19 106.21 3hbl n GLY 410 Ca 0.17 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3hbl n GLY 410 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hbl h ASP 411 N 0.00 0.00 -3.59 1.61 3.32 -1.52 -3.42 116.42 112.82 3hbl h ASP 411 Ca 0.00 0.00 -0.71 0.00 0.02 0.00 0.00 57.03 56.34 3hbl h ASP 411 Cb 0.00 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 39.30 3hbl h ASP 411 CO 0.00 0.22 -0.52 -0.83 -1.72 0.00 0.00 179.24 176.38 3hbl s GLY 412 N -4.27 1.92 0.00 2.75 0.00 -1.23 -4.89 107.32 101.61 3hbl s GLY 412 Ca -0.01 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.00 3hbl s GLY 412 CO 0.63 0.84 0.00 1.97 0.00 0.00 0.00 173.10 176.53 3hbl n PHE 413 N 4.98 0.00 -0.18 1.90 1.16 -1.26 -4.93 117.46 119.13 3hbl n PHE 413 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.46 3hbl n PHE 413 Cb 0.46 0.18 0.00 0.00 -1.61 0.00 0.00 39.48 38.51 3hbl n PHE 413 CO 0.00 0.00 0.00 0.94 -1.87 0.00 0.00 176.76 175.83 3hbl n GLN 414 N -2.70 0.00 -1.04 3.97 7.27 -1.26 -4.68 117.38 118.93 3hbl n GLN 414 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.86 3hbl n GLN 414 Cb 0.29 0.00 0.03 0.00 2.41 0.00 0.00 30.24 32.97 3hbl n GLN 414 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hbl n GLY 415 N 0.00 4.38 3.40 1.69 0.00 -1.21 -4.16 105.19 109.29 3hbl n GLY 415 Ca 0.00 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 3hbl n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl s ALA 416 N -2.08 2.99 0.16 4.61 0.00 -1.26 -4.83 121.76 121.35 3hbl s ALA 416 Ca 0.40 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.97 3hbl s ALA 416 Cb 0.30 -1.82 -0.08 0.00 0.00 0.00 0.00 23.12 21.52 3hbl s ALA 416 CO -0.04 -0.32 1.30 -1.83 0.00 0.00 0.00 175.76 174.87 3hbl s GLU 417 N 1.30 4.39 0.01 0.00 1.03 -1.26 -4.58 118.70 119.60 3hbl s GLU 417 Ca 0.04 1.99 -0.01 0.00 0.03 0.00 0.00 54.97 57.03 3hbl s GLU 417 Cb -0.15 -3.23 -0.04 0.00 -0.80 0.00 0.00 34.13 29.91 3hbl s GLU 417 CO 0.01 -0.27 0.12 0.96 -1.33 0.00 0.00 175.26 174.74 3hbl s ILE 418 N 0.46 4.93 0.05 1.83 -4.36 -1.25 -5.02 121.20 117.83 3hbl s ILE 418 Ca 0.58 -0.39 -0.16 0.00 -0.26 0.00 0.00 60.65 60.42 3hbl s ILE 418 Cb -0.35 -3.29 -0.06 0.00 1.25 0.00 0.00 42.46 40.01 3hbl s ILE 418 CO 0.35 0.30 0.48 -0.55 0.24 0.00 0.00 174.94 175.76 3hbl s SER 419 N -1.92 6.90 0.00 4.36 0.15 -1.26 -4.47 113.70 117.46 3hbl s SER 419 Ca 0.26 1.08 0.30 0.00 0.70 0.00 0.00 55.95 58.28 3hbl s SER 419 Cb -0.12 -2.29 1.69 0.00 -1.71 0.00 0.00 66.02 63.58 3hbl s SER 419 CO 0.17 0.28 2.10 -0.81 1.20 0.00 0.00 173.24 176.18 3hbl n PRO 420 N 1.63 0.74 0.13 5.44 -0.04 -1.26 -3.57 135.00 138.08 3hbl n PRO 420 Ca -0.11 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.33 3hbl n PRO 420 Cb 0.52 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.66 3hbl n PRO 420 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3hbl h TYR 421 N 0.00 0.06 -3.02 0.54 -1.99 -1.97 -3.44 116.97 107.15 3hbl h TYR 421 Ca 0.00 -0.02 -0.51 0.00 2.00 0.00 0.00 58.73 60.20 3hbl h TYR 421 Cb 0.11 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 3hbl h TYR 421 CO 0.00 0.62 -0.20 0.71 -0.00 0.00 0.00 178.16 179.29 3hbl s TYR 422 N -3.71 3.49 -0.51 4.88 1.51 -1.23 -5.01 117.35 116.77 3hbl s TYR 422 Ca -0.02 0.50 -0.28 0.00 -1.01 0.00 0.00 57.07 56.26 3hbl s TYR 422 Cb 0.13 -1.99 -0.09 0.00 -0.11 0.00 0.00 41.96 39.89 3hbl s TYR 422 CO 0.77 0.21 2.41 -0.25 -1.11 0.00 0.00 175.55 177.57 3hbl n ASP 423 N -1.09 2.16 -3.37 2.29 8.00 -1.26 -4.82 116.55 118.45 3hbl n ASP 423 Ca -0.03 -0.23 -0.34 0.00 0.71 0.00 0.00 54.79 54.90 3hbl n ASP 423 Cb 0.54 -1.46 -0.02 0.00 -0.02 0.00 0.00 41.12 40.16 3hbl n ASP 423 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hbl n SER 424 N 14.05 5.49 -4.48 -2.24 3.41 -1.26 -4.85 113.62 123.75 3hbl n SER 424 Ca 0.40 -2.53 -0.43 0.00 -0.26 0.00 0.00 58.87 56.06 3hbl n SER 424 Cb 0.43 -1.32 -0.04 0.00 -0.26 0.00 0.00 64.21 63.03 3hbl n SER 424 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hbl s LEU 425 N 0.61 4.09 0.00 1.04 2.96 -1.26 -2.96 118.68 123.16 3hbl s LEU 425 Ca 0.52 -0.86 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 3hbl s LEU 425 Cb 0.14 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3hbl s LEU 425 CO -0.02 -1.54 0.82 -0.07 -1.32 0.00 0.00 176.35 174.22 3hbl h LEU 426 N 11.76 -0.30 -8.06 -0.68 3.38 -1.04 -3.17 115.31 117.19 3hbl h LEU 426 Ca -0.28 0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.23 3hbl h LEU 426 Cb 1.07 0.08 -0.31 0.00 0.09 0.00 0.00 40.66 41.59 3hbl h LEU 426 CO 1.21 -0.15 -0.80 -0.69 0.09 0.00 0.00 178.44 178.09 3hbl s VAL 427 N -3.19 0.96 -0.31 1.22 1.01 -0.25 -3.14 120.40 116.70 3hbl s VAL 427 Ca -0.05 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 3hbl s VAL 427 Cb 0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3hbl s VAL 427 CO 0.15 0.29 0.39 -0.75 0.00 0.00 0.00 175.10 175.18 3hbl s LYS 428 N 0.07 3.78 -0.23 2.72 2.20 -1.24 -0.65 119.74 126.39 3hbl s LYS 428 Ca -0.02 -0.17 0.02 0.00 -0.36 0.00 0.00 55.97 55.44 3hbl s LYS 428 Cb -0.08 -3.74 0.05 0.00 -1.51 0.00 0.00 37.83 32.55 3hbl s LYS 428 CO 0.01 -0.43 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.28 3hbl s LEU 429 N 2.10 2.90 -0.01 5.43 2.96 -0.68 -2.65 118.68 128.72 3hbl s LEU 429 Ca 0.14 -1.15 0.03 0.00 -0.22 0.00 0.00 54.13 52.93 3hbl s LEU 429 Cb -0.16 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3hbl s LEU 429 CO 0.11 -0.16 -0.11 -0.94 -1.32 0.00 0.00 176.35 173.93 3hbl s SER 430 N 1.23 1.30 0.23 3.68 1.04 -1.04 0.55 113.70 120.70 3hbl s SER 430 Ca -0.05 -0.20 0.09 0.00 0.48 0.00 0.00 55.95 56.27 3hbl s SER 430 Cb -0.18 -0.16 -0.05 0.00 0.10 0.00 0.00 66.02 65.73 3hbl s SER 430 CO -0.07 0.13 -0.15 0.42 0.98 0.00 0.00 173.24 174.55 3hbl s THR 431 N -0.24 1.95 -0.22 2.02 -4.23 -0.25 -1.40 115.64 113.27 3hbl s THR 431 Ca 0.04 -2.26 -0.13 0.00 -1.18 0.00 0.00 61.69 58.15 3hbl s THR 431 Cb -0.05 -2.16 0.07 0.00 1.34 0.00 0.00 72.50 71.70 3hbl s THR 431 CO -0.00 -0.51 0.55 -2.28 -0.54 0.00 0.00 174.62 171.84 3hbl s HIS 432 N -2.84 -0.81 0.29 3.99 5.04 0.55 -1.46 115.29 120.05 3hbl s HIS 432 Ca 0.25 1.70 -0.20 0.00 -1.54 0.00 0.00 55.06 55.27 3hbl s HIS 432 Cb -0.02 0.43 0.05 0.00 0.04 0.00 0.00 32.58 33.08 3hbl s HIS 432 CO 0.10 -0.42 0.84 0.00 -2.34 0.00 0.00 174.74 172.92 3hbl s ALA 433 N 1.38 -1.14 0.24 1.58 0.00 -1.09 -4.26 121.76 118.47 3hbl s ALA 433 Ca -0.09 -0.44 -0.03 0.00 0.00 0.00 0.00 51.96 51.41 3hbl s ALA 433 Cb -0.06 0.73 0.28 0.00 0.00 0.00 0.00 23.12 24.06 3hbl s ALA 433 CO -0.14 -1.02 1.70 -0.84 0.00 0.00 0.00 175.76 175.45 3hbl h ILE 434 N 2.00 1.26 -2.56 0.00 -0.00 -1.89 -0.49 117.51 115.82 3hbl h ILE 434 Ca -0.27 -1.17 -0.45 0.00 -0.00 0.00 0.00 64.86 62.97 3hbl h ILE 434 Cb 1.24 1.07 0.03 0.00 -0.00 0.00 0.00 36.82 39.16 3hbl h ILE 434 CO 0.33 0.40 -0.09 -0.55 -0.00 0.00 0.00 178.15 178.24 3hbl s SER 435 N -6.71 5.60 -0.09 2.16 0.15 -1.26 -4.17 113.70 109.38 3hbl s SER 435 Ca -0.09 0.11 -0.12 0.00 0.70 0.00 0.00 55.95 56.56 3hbl s SER 435 Cb 0.14 -1.21 -0.28 0.00 -1.71 0.00 0.00 66.02 62.96 3hbl s SER 435 CO 0.82 -0.88 0.52 0.15 1.20 0.00 0.00 173.24 175.05 3hbl h PHE 436 N 0.29 0.53 -0.43 3.44 3.57 -1.93 -3.08 116.94 119.33 3hbl h PHE 436 Ca -0.44 -0.39 -0.03 0.00 3.53 0.00 0.00 57.97 60.64 3hbl h PHE 436 Cb 1.27 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 3hbl h PHE 436 CO 0.42 1.67 0.13 0.87 -2.23 0.00 0.00 178.31 179.16 3hbl h LYS 437 N -0.08 0.63 -0.23 1.11 1.57 -1.96 0.20 116.57 117.81 3hbl h LYS 437 Ca -0.36 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.14 3hbl h LYS 437 Cb 1.94 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.15 3hbl h LYS 437 CO 0.10 0.56 -0.57 0.37 -0.57 0.00 0.00 179.45 179.33 3hbl h GLN 438 N 0.62 0.79 -0.01 3.15 4.15 -1.97 -1.92 115.11 119.92 3hbl h GLN 438 Ca 0.15 -0.55 -0.15 0.00 0.77 0.00 0.00 58.65 58.87 3hbl h GLN 438 Cb 0.20 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 3hbl h GLN 438 CO -0.01 1.17 -0.70 0.00 -1.93 0.00 0.00 178.83 177.37 3hbl h ALA 439 N 0.62 0.83 0.20 3.38 0.00 -1.43 -2.04 119.26 120.81 3hbl h ALA 439 Ca -0.01 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 3hbl h ALA 439 Cb 1.19 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hbl h ALA 439 CO 0.12 0.86 -0.12 1.49 0.00 0.00 0.00 179.25 181.60 3hbl h GLU 440 N 0.02 -0.30 0.00 0.00 4.81 -0.52 -1.86 114.58 116.74 3hbl h GLU 440 Ca -0.01 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hbl h GLU 440 Cb 1.23 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3hbl h GLU 440 CO 0.09 -0.20 0.00 -0.85 -0.73 0.00 0.00 179.01 177.32 3hbl n GLU 441 N -5.24 0.19 0.10 1.92 0.28 -0.73 -1.31 120.64 115.85 3hbl n GLU 441 Ca -0.09 0.24 -0.05 0.00 -0.16 0.00 0.00 57.16 57.11 3hbl n GLU 441 Cb 0.16 -1.76 0.09 0.00 1.43 0.00 0.00 31.44 31.36 3hbl n GLU 441 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3hbl h LYS 442 N 0.00 0.15 0.12 3.44 1.57 -1.12 -2.63 116.57 118.09 3hbl h LYS 442 Ca 0.00 -0.12 -0.29 0.00 -1.87 0.00 0.00 60.65 58.37 3hbl h LYS 442 Cb 0.57 0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.92 3hbl h LYS 442 CO 0.00 0.78 -1.22 1.98 -0.57 0.00 0.00 179.45 180.42 3hbl h MET 443 N 0.10 0.49 -0.11 3.15 4.05 -0.68 -2.97 114.93 118.97 3hbl h MET 443 Ca -0.02 -0.69 0.02 0.00 -0.28 0.00 0.00 59.70 58.74 3hbl h MET 443 Cb 1.24 0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 32.25 3hbl h MET 443 CO 0.10 1.30 -0.04 0.28 0.23 0.00 0.00 176.91 178.79 3hbl h VAL 444 N 0.20 0.87 -0.61 -5.77 2.07 -1.22 -0.49 116.25 111.30 3hbl h VAL 444 Ca -0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3hbl h VAL 444 Cb 1.90 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 3hbl h VAL 444 CO 0.22 0.00 0.33 -0.09 0.02 0.00 0.00 177.57 178.05 3hbl h ARG 445 N -0.02 0.85 -0.58 1.57 1.12 -1.56 0.73 114.38 116.49 3hbl h ARG 445 Ca 0.05 -0.10 -0.05 0.00 -1.11 0.00 0.00 59.98 58.78 3hbl h ARG 445 Cb 0.10 -0.17 -0.03 0.00 -0.01 0.00 0.00 29.97 29.87 3hbl h ARG 445 CO -0.12 0.65 0.18 0.77 -3.11 0.00 0.00 179.97 178.34 3hbl h SER 446 N 0.83 0.81 0.18 -3.80 0.02 -1.33 0.33 113.55 110.59 3hbl h SER 446 Ca 0.21 -0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.85 3hbl h SER 446 Cb 0.05 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.38 3hbl h SER 446 CO -0.03 0.77 -0.69 -0.07 -1.14 0.00 0.00 176.83 175.67 3hbl h LEU 447 N 0.85 0.54 -0.31 5.07 3.38 -0.63 -2.64 115.31 121.57 3hbl h LEU 447 Ca 0.19 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.66 3hbl h LEU 447 Cb 0.25 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hbl h LEU 447 CO -0.01 1.07 -0.82 0.03 0.09 0.00 0.00 178.44 178.80 3hbl h ARG 448 N 0.33 0.00 0.00 1.13 3.08 -0.57 -3.20 114.38 115.14 3hbl h ARG 448 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hbl h ARG 448 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hbl h ARG 448 CO 0.12 0.82 0.00 0.93 -1.07 0.00 0.00 179.97 180.77 3hbl h GLU 449 N 0.00 0.00 -6.39 0.04 5.08 -0.34 -3.45 114.58 109.52 3hbl h GLU 449 Ca -0.01 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 3hbl h GLU 449 Cb 1.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.69 3hbl h GLU 449 CO 0.11 0.00 0.16 -1.64 -1.00 0.00 0.00 179.01 176.64 3hbl s MET 450 N -3.20 4.51 -0.08 2.33 -1.94 -1.00 -4.95 119.30 114.98 3hbl s MET 450 Ca 0.08 1.09 -0.02 0.00 -1.71 0.00 0.00 55.69 55.13 3hbl s MET 450 Cb 0.09 -3.32 0.03 0.00 2.01 0.00 0.00 34.83 33.65 3hbl s MET 450 CO 0.60 0.42 0.04 1.03 -0.01 0.00 0.00 175.02 177.10 3hbl s ARG 451 N -0.56 0.28 -0.17 2.03 0.52 -1.26 -4.98 118.95 114.80 3hbl s ARG 451 Ca 0.37 0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 3hbl s ARG 451 Cb -0.22 -0.95 0.04 0.00 0.52 0.00 0.00 34.95 34.34 3hbl s ARG 451 CO 0.24 -0.38 -0.08 0.42 0.02 0.00 0.00 175.30 175.53 3hbl s ILE 452 N 2.06 1.33 0.33 1.52 1.01 -1.26 -4.18 121.20 122.00 3hbl s ILE 452 Ca 0.04 -0.74 0.08 0.00 0.00 0.00 0.00 60.65 60.03 3hbl s ILE 452 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 3hbl s ILE 452 CO -0.05 0.19 0.19 -0.13 0.00 0.00 0.00 174.94 175.13 3hbl s ARG 453 N 1.54 2.51 0.00 2.79 0.52 -1.26 -4.53 118.95 120.52 3hbl s ARG 453 Ca 0.01 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.78 3hbl s ARG 453 Cb -0.15 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.03 3hbl s ARG 453 CO -0.08 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.78 3hbl n GLY 454 N -1.21 3.10 3.02 -3.53 0.00 -1.26 -3.26 105.19 102.05 3hbl n GLY 454 Ca -0.03 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 3hbl n GLY 454 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hbl n VAL 455 N 0.00 0.00 -5.07 1.61 0.24 -1.26 -4.90 118.33 108.94 3hbl n VAL 455 Ca 0.00 -2.05 -0.32 0.00 -2.04 0.00 0.00 64.34 59.93 3hbl n VAL 455 Cb 0.00 0.53 -0.16 0.00 -1.47 0.00 0.00 33.84 32.73 3hbl n VAL 455 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3hbl s LYS 456 N -3.48 3.10 0.49 7.34 3.01 -1.26 -5.00 119.74 123.93 3hbl s LYS 456 Ca 0.07 -0.84 0.08 0.00 -1.01 0.00 0.00 55.97 54.26 3hbl s LYS 456 Cb 0.00 -2.37 0.03 0.00 -1.01 0.00 0.00 37.83 34.48 3hbl s LYS 456 CO 0.05 0.16 0.55 0.95 0.51 0.00 0.00 175.35 177.57 3hbl s THR 457 N 0.41 2.41 -0.88 2.17 -4.23 -1.26 -4.14 115.64 110.12 3hbl s THR 457 Ca -0.16 -1.18 0.27 0.00 -1.18 0.00 0.00 61.69 59.44 3hbl s THR 457 Cb -0.17 -2.59 0.25 0.00 1.34 0.00 0.00 72.50 71.33 3hbl s THR 457 CO 0.07 0.00 1.85 0.59 -0.54 0.00 0.00 174.62 176.59 3hbl n ASN 458 N -1.87 0.33 -0.34 3.99 5.03 -1.26 -4.51 115.26 116.64 3hbl n ASN 458 Ca 0.07 0.53 -0.10 0.00 0.87 0.00 0.00 54.58 55.95 3hbl n ASN 458 Cb 0.61 -0.62 -0.08 0.00 -1.02 0.00 0.00 39.78 38.67 3hbl n ASN 458 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 3hbl h ILE 459 N 0.00 0.01 0.00 2.41 2.04 -1.95 -2.03 117.51 117.99 3hbl h ILE 459 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3hbl h ILE 459 Cb 0.58 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3hbl h ILE 459 CO 0.00 0.00 -0.01 1.55 0.00 0.00 0.00 178.15 179.69 3hbl h PRO 460 N -0.11 0.00 -0.15 2.37 0.13 -1.95 0.43 132.00 132.73 3hbl h PRO 460 Ca 0.16 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.15 3hbl h PRO 460 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 3hbl h PRO 460 CO -0.85 0.01 -0.45 0.35 -0.23 0.00 0.00 178.00 176.82 3hbl h PHE 461 N 0.00 0.74 -0.16 1.56 3.57 -1.64 -3.30 116.94 117.71 3hbl h PHE 461 Ca -0.00 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.16 3hbl h PHE 461 Cb 0.01 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3hbl h PHE 461 CO 0.00 1.07 -0.07 -0.07 -2.23 0.00 0.00 178.31 177.01 3hbl h LEU 462 N 0.21 0.23 -0.56 0.59 3.38 -0.33 -2.42 115.31 116.40 3hbl h LEU 462 Ca -0.01 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3hbl h LEU 462 Cb 1.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3hbl h LEU 462 CO 0.10 0.33 -0.05 0.40 0.09 0.00 0.00 178.44 179.31 3hbl h ILE 463 N 0.24 1.27 -0.40 1.22 2.04 -1.43 -2.14 117.51 118.31 3hbl h ILE 463 Ca 0.05 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.70 3hbl h ILE 463 Cb 0.28 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 3hbl h ILE 463 CO 0.01 0.43 0.18 0.78 0.00 0.00 0.00 178.15 179.55 3hbl h ASN 464 N 0.91 0.50 -0.29 1.72 4.21 -1.52 0.15 115.58 121.25 3hbl h ASN 464 Ca 0.15 -0.04 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 3hbl h ASN 464 Cb 0.61 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 3hbl h ASN 464 CO 0.04 0.45 0.13 0.58 -1.29 0.00 0.00 177.43 177.33 3hbl h VAL 465 N 0.57 1.17 -0.29 2.81 2.07 -1.13 -2.82 116.25 118.62 3hbl h VAL 465 Ca 0.14 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.06 3hbl h VAL 465 Cb 0.09 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3hbl h VAL 465 CO -0.02 0.18 -0.22 0.24 0.02 0.00 0.00 177.57 177.77 3hbl h MET 466 N 0.33 0.55 -1.99 1.57 2.86 -0.94 -3.08 114.93 114.23 3hbl h MET 466 Ca 0.10 -0.20 -0.65 0.00 -2.06 0.00 0.00 59.70 56.90 3hbl h MET 466 Cb 0.16 -0.04 -0.23 0.00 0.06 0.00 0.00 31.60 31.56 3hbl h MET 466 CO -0.01 0.73 0.76 1.63 1.06 0.00 0.00 176.91 181.08 3hbl n LYS 467 N -4.13 2.59 -4.54 1.72 4.76 0.48 -4.84 118.16 114.19 3hbl n LYS 467 Ca -0.00 -2.98 -0.31 0.00 -2.87 0.00 0.00 58.31 52.16 3hbl n LYS 467 Cb 0.39 -2.21 -0.17 0.00 -1.84 0.00 0.00 35.03 31.21 3hbl n LYS 467 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3hbl s ASN 468 N -0.43 2.79 0.21 4.39 3.84 -1.09 -4.87 114.94 119.79 3hbl s ASN 468 Ca 0.55 -0.52 -0.09 0.00 0.21 0.00 0.00 52.86 53.01 3hbl s ASN 468 Cb 0.41 -1.27 0.23 0.00 -0.55 0.00 0.00 41.25 40.07 3hbl s ASN 468 CO -0.33 0.04 1.82 0.11 -2.79 0.00 0.00 177.10 175.96 3hbl h LYS 469 N 7.41 0.72 0.00 0.43 1.57 -1.90 0.18 116.57 124.97 3hbl h LYS 469 Ca -0.32 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3hbl h LYS 469 Cb 1.18 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3hbl h LYS 469 CO 0.53 0.48 0.00 0.87 -0.57 0.00 0.00 179.45 180.75 3hbl h LYS 470 N 0.74 0.00 0.10 3.15 1.57 -1.96 -0.56 116.57 119.61 3hbl h LYS 470 Ca 0.29 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.88 3hbl h LYS 470 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3hbl h LYS 470 CO -0.16 0.00 -0.97 0.35 -0.57 0.00 0.00 179.45 178.10 3hbl h PHE 471 N 0.00 0.38 -0.81 -1.35 3.04 -1.69 -3.32 116.94 113.18 3hbl h PHE 471 Ca 0.00 -0.28 -0.03 0.00 3.98 0.00 0.00 57.97 61.64 3hbl h PHE 471 Cb 0.74 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 3hbl h PHE 471 CO 0.00 1.38 0.40 1.15 -2.02 0.00 0.00 178.31 179.21 3hbl h THR 472 N -0.49 1.25 -0.60 4.41 2.02 -0.64 -2.84 112.91 116.02 3hbl h THR 472 Ca -0.20 -0.70 0.09 0.00 0.77 0.00 0.00 66.41 66.37 3hbl h THR 472 Cb 1.57 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 3hbl h THR 472 CO 0.06 0.30 0.40 0.77 0.37 0.00 0.00 175.52 177.43 3hbl h SER 473 N 1.15 0.40 0.00 4.18 4.64 -1.25 -3.47 113.55 119.20 3hbl h SER 473 Ca 0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3hbl h SER 473 Cb 0.11 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3hbl h SER 473 CO -0.04 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.78 3hbl n GLY 474 N -1.51 2.46 3.52 -0.77 0.00 -1.07 -4.79 105.19 103.03 3hbl n GLY 474 Ca 0.10 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3hbl n GLY 474 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3hbl s ASP 475 N 0.12 6.19 -0.04 1.61 -4.77 -1.26 -4.61 116.67 113.91 3hbl s ASP 475 Ca 0.00 -0.56 -0.12 0.00 -3.30 0.00 0.00 52.55 48.57 3hbl s ASP 475 Cb 0.00 -2.51 0.02 0.00 -1.09 0.00 0.00 42.92 39.34 3hbl s ASP 475 CO 0.00 -1.67 0.28 -0.72 0.70 0.00 0.00 175.17 173.75 3hbl s TYR 476 N 5.13 -0.19 0.26 2.11 1.13 -1.26 -4.83 117.35 119.70 3hbl s TYR 476 Ca 0.32 0.37 0.01 0.00 -1.41 0.00 0.00 57.07 56.36 3hbl s TYR 476 Cb -0.11 0.08 0.01 0.00 -1.10 0.00 0.00 41.96 40.84 3hbl s TYR 476 CO 0.15 -0.30 0.11 0.25 -2.51 0.00 0.00 175.55 173.25 3hbl n THR 477 N 1.82 0.00 0.46 -3.49 -2.24 -1.26 -4.84 114.28 104.73 3hbl n THR 477 Ca -0.19 -1.12 0.05 0.00 -2.27 0.00 0.00 64.05 60.52 3hbl n THR 477 Cb 0.56 -0.04 0.26 0.00 -2.10 0.00 0.00 70.33 69.02 3hbl n THR 477 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hbl n THR 478 N -0.90 0.98 1.33 4.28 -2.24 -0.71 -1.96 114.28 115.06 3hbl n THR 478 Ca -0.05 0.24 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 3hbl n THR 478 Cb 0.31 -1.05 0.41 0.00 -2.10 0.00 0.00 70.33 67.90 3hbl n THR 478 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hbl n LYS 479 N -1.40 1.84 -0.03 -0.78 4.76 -1.26 -4.51 118.16 116.78 3hbl n LYS 479 Ca 0.04 -1.22 -0.08 0.00 -2.87 0.00 0.00 58.31 54.17 3hbl n LYS 479 Cb 0.11 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.81 3hbl n LYS 479 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3hbl h PHE 480 N 2.92 -0.31 -0.18 2.13 3.57 -1.70 -2.17 116.94 121.19 3hbl h PHE 480 Ca 0.00 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3hbl h PHE 480 Cb 0.62 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 3hbl h PHE 480 CO 0.02 -0.19 0.01 0.82 -2.23 0.00 0.00 178.31 176.74 3hbl h ILE 481 N -0.13 1.24 -0.82 1.41 2.04 -1.84 -2.57 117.51 116.85 3hbl h ILE 481 Ca 0.11 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.18 3hbl h ILE 481 Cb 0.29 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 3hbl h ILE 481 CO -0.26 0.25 0.52 -0.33 0.00 0.00 0.00 178.15 178.33 3hbl h GLU 482 N 0.08 0.99 -0.57 2.37 5.08 -1.81 -2.77 114.58 117.95 3hbl h GLU 482 Ca 0.05 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3hbl h GLU 482 Cb 0.36 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.33 3hbl h GLU 482 CO 0.01 0.66 0.11 -0.85 -1.00 0.00 0.00 179.01 177.94 3hbl n GLU 483 N -4.57 3.86 -3.79 2.33 0.28 -0.83 -4.53 120.64 113.37 3hbl n GLU 483 Ca 0.10 -3.08 -0.29 0.00 -0.16 0.00 0.00 57.16 53.73 3hbl n GLU 483 Cb 0.08 -2.14 -0.12 0.00 1.43 0.00 0.00 31.44 30.69 3hbl n GLU 483 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 3hbl s THR 484 N -2.91 2.14 -0.45 3.84 2.01 -0.97 -4.98 115.64 114.32 3hbl s THR 484 Ca 0.52 -3.51 0.26 0.00 0.31 0.00 0.00 61.69 59.27 3hbl s THR 484 Cb 0.41 -2.44 0.28 0.00 0.01 0.00 0.00 72.50 70.76 3hbl s THR 484 CO 0.13 -0.98 1.76 1.55 -0.69 0.00 0.00 174.62 176.39 3hbl h PRO 485 N 5.90 0.00 0.00 4.92 0.13 -1.80 -3.18 132.00 137.98 3hbl h PRO 485 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3hbl h PRO 485 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3hbl h PRO 485 CO 0.61 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.53 3hbl n GLU 486 N -2.42 0.99 0.00 0.86 0.00 -1.26 -3.16 120.64 115.64 3hbl n GLU 486 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.33 3hbl n GLU 486 Cb 0.30 -1.30 0.52 0.00 0.00 0.00 0.00 31.44 30.96 3hbl n GLU 486 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3hbl n LEU 487 N -0.80 1.09 -1.28 -1.84 4.32 -1.20 -3.25 117.00 114.03 3hbl n LEU 487 Ca 0.14 -0.31 0.12 0.00 -0.02 0.00 0.00 56.01 55.94 3hbl n LEU 487 Cb 0.07 -0.07 0.29 0.00 -1.62 0.00 0.00 43.42 42.09 3hbl n LEU 487 CO 0.11 0.19 0.75 0.49 -1.22 0.00 0.00 177.39 177.71 3hbl n PHE 488 N -0.34 0.82 -2.16 -1.77 3.01 -1.19 -4.59 117.46 111.24 3hbl n PHE 488 Ca 0.16 -0.41 -0.37 0.00 1.01 0.00 0.00 57.45 57.85 3hbl n PHE 488 Cb 0.32 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.76 3hbl n PHE 488 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3hbl s ASP 489 N -1.16 5.46 -0.09 4.37 -1.08 -1.20 -4.95 116.67 118.03 3hbl s ASP 489 Ca 0.46 -0.11 -0.30 0.00 -0.52 0.00 0.00 52.55 52.08 3hbl s ASP 489 Cb 0.25 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 39.13 3hbl s ASP 489 CO 0.33 -2.31 1.24 -0.63 0.52 0.00 0.00 175.17 174.31 3hbl s ILE 490 N 8.49 4.22 -0.18 4.11 1.01 -1.26 -4.90 121.20 132.68 3hbl s ILE 490 Ca 0.61 1.53 -0.15 0.00 0.00 0.00 0.00 60.65 62.63 3hbl s ILE 490 Cb -0.10 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3hbl s ILE 490 CO 0.14 -0.05 0.37 -1.58 0.00 0.00 0.00 174.94 173.82 3hbl s GLN 491 N 2.67 4.23 -0.71 2.79 2.00 -1.26 -5.01 119.66 124.37 3hbl s GLN 491 Ca 0.56 0.20 -0.26 0.00 -2.00 0.00 0.00 55.36 53.86 3hbl s GLN 491 Cb -0.24 -3.49 -0.11 0.00 0.80 0.00 0.00 33.01 29.98 3hbl s GLN 491 CO 0.20 0.08 2.34 -1.25 -0.50 0.00 0.00 175.29 176.16 3hbl s PRO 492 N 0.94 1.87 -0.93 1.67 0.04 -1.26 -4.90 135.00 132.42 3hbl s PRO 492 Ca 0.19 0.67 -0.17 0.00 0.04 0.00 0.00 61.00 61.74 3hbl s PRO 492 Cb -0.14 -4.74 0.16 0.00 0.04 0.00 0.00 34.50 29.82 3hbl s PRO 492 CO 0.07 -3.96 1.05 0.45 0.04 0.00 0.00 177.00 174.65 3hbl s SER 493 N 10.86 6.73 0.50 6.66 0.15 -1.26 -5.03 113.70 132.30 3hbl s SER 493 Ca 0.91 -2.35 -0.19 0.00 0.70 0.00 0.00 55.95 55.01 3hbl s SER 493 Cb -0.13 -2.34 -0.08 0.00 -1.71 0.00 0.00 66.02 61.76 3hbl s SER 493 CO 0.13 -0.88 1.03 -0.76 1.20 0.00 0.00 173.24 173.96 3hbl s LEU 494 N 1.76 3.79 -0.67 3.45 1.02 -1.26 -5.03 118.68 121.73 3hbl s LEU 494 Ca 0.29 1.85 0.05 0.00 0.02 0.00 0.00 54.13 56.35 3hbl s LEU 494 Cb -0.06 -4.55 0.18 0.00 0.02 0.00 0.00 46.19 41.78 3hbl s LEU 494 CO -0.09 -0.77 0.51 -0.67 0.02 0.00 0.00 176.35 175.35 3hbl n ASP 495 N -1.14 2.73 -0.32 2.29 -0.08 -1.26 -4.97 116.55 113.80 3hbl n ASP 495 Ca 0.09 -3.15 0.20 0.00 -1.51 0.00 0.00 54.79 50.42 3hbl n ASP 495 Cb 0.53 -0.73 0.41 0.00 2.34 0.00 0.00 41.12 43.67 3hbl n ASP 495 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3hbl h ARG 496 N 5.24 0.18 0.06 -0.67 -0.00 -1.96 -2.46 114.38 114.77 3hbl h ARG 496 Ca 0.17 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.63 3hbl h ARG 496 Cb 0.76 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.69 3hbl h ARG 496 CO 0.69 0.12 -0.04 0.78 0.00 0.00 0.00 179.97 181.53 3hbl h GLY 497 N 0.18 -0.32 -0.26 0.04 0.00 -1.97 -2.49 103.07 98.24 3hbl h GLY 497 Ca 0.67 0.14 0.16 0.00 0.00 0.00 0.00 47.33 48.30 3hbl h GLY 497 CO -0.70 -0.12 0.01 -0.84 0.00 0.00 0.00 176.54 174.89 3hbl h THR 498 N -0.09 0.39 -0.82 4.70 2.02 -1.94 -1.51 112.91 115.66 3hbl h THR 498 Ca -0.01 -0.04 0.07 0.00 0.77 0.00 0.00 66.41 67.20 3hbl h THR 498 Cb 0.07 0.27 -0.06 0.00 -1.74 0.00 0.00 68.15 66.69 3hbl h THR 498 CO 0.01 0.02 0.50 0.11 0.37 0.00 0.00 175.52 176.53 3hbl h LYS 499 N 0.11 0.87 -0.75 6.66 1.57 -1.46 0.22 116.57 123.78 3hbl h LYS 499 Ca 0.38 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 3hbl h LYS 499 Cb 0.66 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3hbl h LYS 499 CO -0.62 0.57 0.30 1.15 -0.57 0.00 0.00 179.45 180.28 3hbl h THR 500 N 0.89 1.25 -0.27 -0.16 2.02 -0.81 -0.81 112.91 115.03 3hbl h THR 500 Ca 0.37 -0.80 -0.11 0.00 0.77 0.00 0.00 66.41 66.64 3hbl h THR 500 Cb 0.21 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3hbl h THR 500 CO -0.19 0.32 -0.28 -0.07 0.37 0.00 0.00 175.52 175.68 3hbl h LEU 501 N 1.10 0.54 -0.62 2.58 3.38 -0.77 -2.13 115.31 119.39 3hbl h LEU 501 Ca 0.25 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3hbl h LEU 501 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hbl h LEU 501 CO -0.02 0.80 -0.46 -0.33 0.09 0.00 0.00 178.44 178.52 3hbl h GLU 502 N 0.46 0.55 0.60 1.13 5.08 -0.67 -1.79 114.58 119.94 3hbl h GLU 502 Ca 0.06 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 3hbl h GLU 502 Cb 0.72 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.00 3hbl h GLU 502 CO 0.06 0.90 -0.29 -0.92 -1.00 0.00 0.00 179.01 177.76 3hbl h TYR 503 N 0.44 -0.75 -0.45 4.33 5.03 -0.93 -1.85 116.97 122.79 3hbl h TYR 503 Ca 0.03 -0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.37 3hbl h TYR 503 Cb 0.98 0.25 -0.05 0.00 1.55 0.00 0.00 36.73 39.46 3hbl h TYR 503 CO 0.04 -0.41 0.18 0.82 -1.32 0.00 0.00 178.16 177.46 3hbl h ILE 504 N -0.98 0.88 -0.80 1.81 2.04 -1.46 -1.59 117.51 117.41 3hbl h ILE 504 Ca -0.08 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 65.76 3hbl h ILE 504 Cb 0.67 0.49 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 3hbl h ILE 504 CO 0.13 0.07 0.42 1.23 0.00 0.00 0.00 178.15 180.00 3hbl h GLY 505 N 0.36 1.24 0.72 5.37 0.00 -1.31 0.16 103.07 109.61 3hbl h GLY 505 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 3hbl h GLY 505 CO -0.20 0.06 -0.07 -0.57 0.00 0.00 0.00 176.54 175.76 3hbl h ASN 506 N 0.68 -0.17 0.04 0.19 -0.00 -0.57 -2.70 115.58 113.06 3hbl h ASN 506 Ca 0.40 -0.22 -0.00 0.00 -0.00 0.00 0.00 56.30 56.48 3hbl h ASN 506 Cb 0.45 0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.81 3hbl h ASN 506 CO -0.29 0.13 -0.02 0.58 -0.00 0.00 0.00 177.43 177.83 3hbl h VAL 507 N -0.48 0.97 -1.00 2.57 2.07 -1.01 0.44 116.25 119.81 3hbl h VAL 507 Ca -0.02 -0.05 0.18 0.00 0.82 0.00 0.00 66.70 67.62 3hbl h VAL 507 Cb 0.38 1.01 -0.10 0.00 -1.52 0.00 0.00 31.29 31.05 3hbl h VAL 507 CO 0.03 0.01 0.62 0.74 0.02 0.00 0.00 177.57 178.99 3hbl h THR 508 N -0.08 0.75 0.08 2.57 2.02 -0.71 0.63 112.91 118.16 3hbl h THR 508 Ca -0.01 -0.28 -0.30 0.00 0.77 0.00 0.00 66.41 66.60 3hbl h THR 508 Cb 0.07 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 3hbl h THR 508 CO 0.01 0.15 -1.62 0.40 0.37 0.00 0.00 175.52 174.83 3hbl h ILE 509 N 0.81 0.81 -0.16 3.11 2.04 -1.29 -3.40 117.51 119.43 3hbl h ILE 509 Ca 0.56 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 64.13 3hbl h ILE 509 Cb 0.82 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 3hbl h ILE 509 CO -0.36 0.65 0.00 0.59 0.00 0.00 0.00 178.15 179.03 3hbl n ASN 510 N -3.92 2.91 -0.52 1.72 3.02 0.15 -4.90 115.26 113.73 3hbl n ASN 510 Ca -0.31 -1.88 0.01 0.00 -0.03 0.00 0.00 54.58 52.37 3hbl n ASN 510 Cb 0.89 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.96 3hbl n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbl n GLY 511 N 1.19 -1.57 3.04 7.41 0.00 0.22 -4.94 105.19 110.53 3hbl n GLY 511 Ca 0.14 -1.22 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 3hbl n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hbl s PHE 512 N -0.16 0.91 0.19 1.61 5.36 -1.26 -4.46 117.98 120.16 3hbl s PHE 512 Ca 0.00 -0.17 -0.33 0.00 -0.96 0.00 0.00 56.93 55.47 3hbl s PHE 512 Cb 0.00 -0.59 -0.13 0.00 -0.34 0.00 0.00 43.02 41.96 3hbl s PHE 512 CO 0.00 -0.02 1.58 -2.30 -1.46 0.00 0.00 175.22 173.02 3hbl n PRO 513 N 2.86 2.26 -0.92 10.12 -0.02 -1.26 -2.10 135.00 145.93 3hbl n PRO 513 Ca -0.14 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3hbl n PRO 513 Cb 0.56 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3hbl n PRO 513 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hbl n ASN 515 N 3.26 -2.92 -4.45 2.55 4.13 -1.26 -5.00 115.26 111.56 3hbl n ASN 515 Ca 0.16 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 56.09 3hbl n ASN 515 Cb 0.30 -1.66 -0.13 0.00 -1.54 0.00 0.00 39.78 36.75 3hbl n ASN 515 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hbl s VAL 516 N -1.89 3.30 -0.02 2.41 1.01 -0.89 -4.81 120.40 119.52 3hbl s VAL 516 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3hbl s VAL 516 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 3hbl s VAL 516 CO 0.00 0.55 0.99 -0.70 0.00 0.00 0.00 175.10 175.94 3hbl s GLU 517 N -0.13 4.53 -0.83 2.72 2.12 -1.26 -4.60 118.70 121.25 3hbl s GLU 517 Ca -0.00 1.43 -0.26 0.00 0.36 0.00 0.00 54.97 56.50 3hbl s GLU 517 Cb -0.13 -3.47 -0.16 0.00 0.26 0.00 0.00 34.13 30.63 3hbl s GLU 517 CO 0.03 -0.11 2.38 1.63 -0.54 0.00 0.00 175.26 178.65 3hbl n LYS 518 N 4.10 0.49 -4.33 4.30 4.76 -1.26 -4.87 118.16 121.34 3hbl n LYS 518 Ca 0.07 -0.93 -0.17 0.00 -2.87 0.00 0.00 58.31 54.41 3hbl n LYS 518 Cb 0.50 -3.66 -0.10 0.00 -1.84 0.00 0.00 35.03 29.93 3hbl n LYS 518 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3hbl s ARG 519 N 8.84 1.43 0.36 1.97 1.70 -1.26 -5.13 118.95 126.86 3hbl s ARG 519 Ca 0.92 -1.77 -0.28 0.00 -0.47 0.00 0.00 55.73 54.13 3hbl s ARG 519 Cb -0.14 -0.37 -0.10 0.00 -0.57 0.00 0.00 34.95 33.76 3hbl s ARG 519 CO 0.10 -0.26 1.39 -1.25 -1.08 0.00 0.00 175.30 174.21 3hbl s PRO 520 N -4.00 4.18 0.33 3.89 0.04 -1.26 -4.94 135.00 133.24 3hbl s PRO 520 Ca 0.36 2.38 -0.28 0.00 0.04 0.00 0.00 61.00 63.51 3hbl s PRO 520 Cb 0.08 -2.98 -0.13 0.00 0.04 0.00 0.00 34.50 31.51 3hbl s PRO 520 CO 0.13 -0.40 1.24 1.17 0.04 0.00 0.00 177.00 179.19 3hbl n LYS 521 N 0.55 1.98 0.00 4.56 4.81 -1.26 -5.03 118.16 123.77 3hbl n LYS 521 Ca 0.01 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 3hbl n LYS 521 Cb 0.41 -2.24 0.00 0.00 0.02 0.00 0.00 35.03 33.22 3hbl n LYS 521 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3hbl n PRO 522 N 0.67 0.72 -4.15 1.64 -0.02 -1.26 -4.60 135.00 128.00 3hbl n PRO 522 Ca 0.06 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.21 3hbl n PRO 522 Cb 0.35 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.75 3hbl n PRO 522 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hbl n ASP 523 N 0.00 -0.35 -0.05 2.55 4.64 -1.26 -4.82 116.55 117.26 3hbl n ASP 523 Ca 0.00 -1.12 -0.17 0.00 -1.38 0.00 0.00 54.79 52.12 3hbl n ASP 523 Cb 0.00 -1.41 -0.14 0.00 -1.04 0.00 0.00 41.12 38.53 3hbl n ASP 523 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hbl n TYR 524 N -3.92 0.71 -2.78 -0.67 0.18 -1.26 -4.58 117.16 104.84 3hbl n TYR 524 Ca -0.10 0.18 -0.43 0.00 1.88 0.00 0.00 57.90 59.43 3hbl n TYR 524 Cb 0.51 -1.10 -0.03 0.00 -0.38 0.00 0.00 39.34 38.34 3hbl n TYR 524 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 3hbl s GLU 525 N -2.55 3.56 -1.27 -3.48 2.56 -1.26 -4.94 118.70 111.32 3hbl s GLU 525 Ca -0.21 -1.45 -0.16 0.00 0.00 0.00 0.00 54.97 53.15 3hbl s GLU 525 Cb 0.07 -5.02 -0.01 0.00 2.00 0.00 0.00 34.13 31.17 3hbl s GLU 525 CO 0.74 -1.94 2.15 1.28 -0.56 0.00 0.00 175.26 176.93 3hbl n LEU 526 N 7.50 6.12 -4.62 2.70 4.32 -1.26 -4.94 117.00 126.83 3hbl n LEU 526 Ca 0.25 -3.80 -0.41 0.00 -0.02 0.00 0.00 56.01 52.03 3hbl n LEU 526 Cb 0.50 -1.51 -0.06 0.00 -1.62 0.00 0.00 43.42 40.73 3hbl n LEU 526 CO 0.57 0.71 0.48 0.00 -1.22 0.00 0.00 177.39 177.93 3hbl s ALA 527 N 3.68 3.57 0.03 -1.18 0.00 -1.26 -5.03 121.76 121.57 3hbl s ALA 527 Ca 0.50 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 3hbl s ALA 527 Cb 0.14 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 3hbl s ALA 527 CO -0.03 -1.00 1.31 0.45 0.00 0.00 0.00 175.76 176.49 3hbl s SER 528 N 1.54 6.95 -0.17 0.00 0.15 -1.26 -4.97 113.70 115.93 3hbl s SER 528 Ca 0.29 2.07 -0.29 0.00 0.70 0.00 0.00 55.95 58.71 3hbl s SER 528 Cb -0.15 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.58 3hbl s SER 528 CO 0.10 -0.61 1.20 -0.63 1.20 0.00 0.00 173.24 174.50 3hbl s ILE 529 N 1.78 4.38 0.43 6.45 1.01 -1.26 -5.01 121.20 128.99 3hbl s ILE 529 Ca 0.61 1.67 -0.25 0.00 0.00 0.00 0.00 60.65 62.68 3hbl s ILE 529 Cb -0.30 -4.08 -0.08 0.00 0.01 0.00 0.00 42.46 38.01 3hbl s ILE 529 CO 0.27 -0.13 1.31 -2.16 0.00 0.00 0.00 174.94 174.23 3hbl s PRO 530 N 3.28 3.80 0.05 2.79 0.04 -1.26 -5.02 135.00 138.68 3hbl s PRO 530 Ca 0.52 2.16 -0.00 0.00 0.04 0.00 0.00 61.00 63.72 3hbl s PRO 530 Cb -0.20 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.66 3hbl s PRO 530 CO 0.13 -0.63 -0.03 -0.08 0.04 0.00 0.00 177.00 176.43 3hbl s THR 531 N -1.29 0.24 -0.03 1.26 -1.32 -1.26 -4.62 115.64 108.62 3hbl s THR 531 Ca 0.60 -1.58 0.03 0.00 -1.21 0.00 0.00 61.69 59.52 3hbl s THR 531 Cb -0.38 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.41 3hbl s THR 531 CO 0.48 -0.85 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.25 3hbl s VAL 532 N -3.24 0.87 0.31 5.08 1.01 -1.26 -4.90 120.40 118.27 3hbl s VAL 532 Ca 0.01 -0.39 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 3hbl s VAL 532 Cb 0.03 -0.78 -0.14 0.00 0.00 0.00 0.00 36.38 35.49 3hbl s VAL 532 CO -0.07 0.27 0.86 -0.24 0.00 0.00 0.00 175.10 175.92 3hbl n SER 533 N 3.39 0.54 0.18 3.32 2.88 -1.26 -4.74 113.62 117.93 3hbl n SER 533 Ca -0.19 1.11 0.06 0.00 -1.33 0.00 0.00 58.87 58.51 3hbl n SER 533 Cb 0.54 -1.22 0.26 0.00 -0.75 0.00 0.00 64.21 63.04 3hbl n SER 533 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3hbl h SER 534 N 1.58 0.00 -0.11 -3.46 4.64 -1.99 -3.10 113.55 111.11 3hbl h SER 534 Ca -0.39 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.97 3hbl h SER 534 Cb 1.36 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.41 3hbl h SER 534 CO 0.58 0.37 -0.16 0.28 -0.87 0.00 0.00 176.83 177.02 3hbl h SER 535 N 0.00 -0.50 1.19 4.97 0.02 -2.00 -1.25 113.55 115.98 3hbl h SER 535 Ca -0.00 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3hbl h SER 535 Cb 1.03 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3hbl h SER 535 CO 0.05 -0.21 -0.30 0.07 -1.14 0.00 0.00 176.83 175.29 3hbl h LYS 536 N -0.21 0.00 -0.55 3.45 2.10 -1.95 -2.98 116.57 116.43 3hbl h LYS 536 Ca 0.09 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.65 3hbl h LYS 536 Cb 0.34 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.65 3hbl h LYS 536 CO -0.24 0.30 -0.01 0.82 -2.00 0.00 0.00 179.45 178.33 3hbl h ILE 537 N 0.00 1.26 0.00 0.07 2.04 -1.40 -2.64 117.51 116.85 3hbl h ILE 537 Ca -0.00 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3hbl h ILE 537 Cb 0.98 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3hbl h ILE 537 CO 0.04 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.59 3hbl h ALA 538 N 0.96 1.00 -0.00 1.87 0.00 -1.08 -1.98 119.26 120.03 3hbl h ALA 538 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hbl h ALA 538 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hbl h ALA 538 CO 0.03 0.00 -0.98 -1.13 0.00 0.00 0.00 179.25 177.17 3hbl n SER 538 N -2.35 0.99 -4.74 0.00 3.41 -1.02 -4.95 113.62 104.95 3hbl n SER 538 Ca 0.00 -0.98 -0.41 0.00 -0.26 0.00 0.00 58.87 57.22 3hbl n SER 538 Cb 0.16 0.98 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 3hbl n SER 538 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hbl s PHE 538 N -3.00 3.27 -0.66 7.33 2.99 -0.75 -4.99 117.98 122.17 3hbl s PHE 538 Ca 0.08 1.26 0.05 0.00 0.00 0.00 0.00 56.93 58.32 3hbl s PHE 538 Cb 0.16 -3.58 0.17 0.00 0.00 0.00 0.00 43.02 39.76 3hbl s PHE 538 CO 0.86 -1.79 0.46 0.45 -0.00 0.00 0.00 175.22 175.21 3hbl s SER 539 N 0.26 4.51 0.00 1.36 0.15 -1.26 -4.77 113.70 113.95 3hbl s SER 539 Ca 0.56 -3.72 0.00 0.00 0.70 0.00 0.00 55.95 53.49 3hbl s SER 539 Cb -0.36 -1.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 3hbl s SER 539 CO 0.39 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.33 3hbl n GLY 540 N 2.14 2.42 0.25 9.45 0.00 -1.22 -4.94 105.19 113.30 3hbl n GLY 540 Ca 0.19 -1.97 0.11 0.00 0.00 0.00 0.00 46.02 44.35 3hbl n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hbl h THR 541 N 0.00 0.71 0.23 2.61 1.35 -1.71 -2.44 112.91 113.65 3hbl h THR 541 Ca 0.00 -0.64 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 3hbl h THR 541 Cb 0.00 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3hbl h THR 541 CO 0.00 0.15 -0.11 0.50 -0.25 0.00 0.00 175.52 175.81 3hbl h LYS 542 N 0.00 -0.30 -0.90 4.72 3.11 -1.57 -2.41 116.57 119.22 3hbl h LYS 542 Ca -0.00 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 57.90 3hbl h LYS 542 Cb 0.38 0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 31.62 3hbl h LYS 542 CO 0.02 -0.19 0.58 1.96 -2.81 0.00 0.00 179.45 179.02 3hbl h GLN 543 N -0.32 1.07 -0.73 1.90 7.50 -1.62 -2.05 115.11 120.86 3hbl h GLN 543 Ca -0.03 -0.06 0.01 0.00 0.50 0.00 0.00 58.65 59.07 3hbl h GLN 543 Cb 0.25 -0.24 -0.04 0.00 0.05 0.00 0.00 27.48 27.50 3hbl h GLN 543 CO 0.05 0.71 0.48 1.25 -1.50 0.00 0.00 178.83 179.82 3hbl h LEU 544 N 1.11 0.82 -0.63 1.46 5.85 -1.32 -0.05 115.31 122.55 3hbl h LEU 544 Ca 0.37 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 59.01 3hbl h LEU 544 Cb 0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3hbl h LEU 544 CO -0.13 0.59 0.16 0.25 -0.34 0.00 0.00 178.44 178.97 3hbl h LEU 545 N 0.97 0.96 -1.61 2.25 5.85 -0.87 -0.79 115.31 122.07 3hbl h LEU 545 Ca 0.27 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hbl h LEU 545 Cb -0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 3hbl h LEU 545 CO -0.06 0.94 0.02 0.44 -0.34 0.00 0.00 178.44 179.44 3hbl h ASP 546 N 0.93 0.24 0.11 1.25 3.32 -0.91 -2.05 116.42 119.32 3hbl h ASP 546 Ca 0.20 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3hbl h ASP 546 Cb 0.35 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hbl h ASP 546 CO 0.00 0.27 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.41 3hbl h GLU 547 N 0.27 -0.14 0.00 3.56 4.39 -0.36 -3.42 114.58 118.87 3hbl h GLU 547 Ca 0.06 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3hbl h GLU 547 Cb 0.15 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3hbl h GLU 547 CO 0.00 -0.10 -1.70 1.33 -1.16 0.00 0.00 179.01 177.38 3hbl n VAL 548 N -3.56 0.00 0.00 3.13 0.24 -0.37 -5.10 118.33 112.67 3hbl n VAL 548 Ca -0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3hbl n VAL 548 Cb 0.06 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 3hbl n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hbl n GLY 549 N 1.38 -0.42 0.24 7.63 0.00 -0.77 -4.09 105.19 109.17 3hbl n GLY 549 Ca -0.02 -1.78 -0.06 0.00 0.00 0.00 0.00 46.02 44.15 3hbl n GLY 549 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hbl h PRO 550 N 0.00 0.79 -0.93 1.61 0.11 -1.82 -1.36 132.00 130.41 3hbl h PRO 550 Ca 0.00 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.06 3hbl h PRO 550 Cb 0.00 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 30.89 3hbl h PRO 550 CO 0.00 0.54 0.61 0.87 -0.21 0.00 0.00 178.00 179.82 3hbl h LYS 551 N 0.81 1.21 -0.21 1.05 1.57 -1.94 -2.98 116.57 116.08 3hbl h LYS 551 Ca 0.22 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3hbl h LYS 551 Cb -0.06 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 31.96 3hbl h LYS 551 CO -0.04 0.80 0.11 0.78 -0.57 0.00 0.00 179.45 180.53 3hbl h GLY 552 N 1.25 0.32 0.78 3.86 0.00 -1.41 -2.47 103.07 105.40 3hbl h GLY 552 Ca 0.34 -0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.57 3hbl h GLY 552 CO -0.08 0.14 0.56 -2.08 0.00 0.00 0.00 176.54 175.09 3hbl h VAL 553 N 0.23 1.08 -0.43 4.60 2.07 -1.32 0.13 116.25 122.61 3hbl h VAL 553 Ca 0.07 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3hbl h VAL 553 Cb 0.08 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.76 3hbl h VAL 553 CO -0.01 0.19 0.23 0.00 0.02 0.00 0.00 177.57 178.00 3hbl h ALA 554 N 1.40 0.54 -0.79 1.67 0.00 -1.39 -0.96 119.26 119.73 3hbl h ALA 554 Ca 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.26 3hbl h ALA 554 Cb 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hbl h ALA 554 CO -0.15 -0.11 0.38 0.93 0.00 0.00 0.00 179.25 180.30 3hbl h GLU 555 N 0.46 1.12 0.69 0.00 4.39 -0.80 -3.06 114.58 117.38 3hbl h GLU 555 Ca 0.18 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3hbl h GLU 555 Cb 0.06 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3hbl h GLU 555 CO -0.11 0.85 -0.37 2.35 -1.16 0.00 0.00 179.01 180.57 3hbl h TRP 556 N 1.11 -0.98 -0.93 4.33 7.01 -0.25 -3.21 115.95 123.03 3hbl h TRP 556 Ca 0.27 -0.02 0.25 0.00 2.11 0.00 0.00 58.89 61.51 3hbl h TRP 556 Cb 0.10 0.34 -0.17 0.00 -2.10 0.00 0.00 29.16 27.33 3hbl h TRP 556 CO 0.01 -0.58 0.07 0.28 -2.79 0.00 0.00 178.44 175.43 3hbl h VAL 557 N -0.98 0.12 0.08 2.65 2.07 -1.16 -0.03 116.25 118.99 3hbl h VAL 557 Ca -0.09 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.43 3hbl h VAL 557 Cb 0.77 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3hbl h VAL 557 CO 0.13 0.01 -0.36 0.11 0.02 0.00 0.00 177.57 177.48 3hbl h LYS 558 N 0.06 -0.54 -0.63 1.57 1.57 -1.56 -2.33 116.57 114.70 3hbl h LYS 558 Ca 0.57 0.04 0.18 0.00 -1.87 0.00 0.00 60.65 59.57 3hbl h LYS 558 Cb 1.15 0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 3hbl h LYS 558 CO -0.84 -0.36 0.53 -0.22 -0.57 0.00 0.00 179.45 178.00 3hbl h LYS 559 N -0.56 0.00 -6.35 3.15 3.64 -1.00 -3.41 116.57 112.03 3hbl h LYS 559 Ca 0.04 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.88 3hbl h LYS 559 Cb 0.61 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 3hbl h LYS 559 CO -0.24 0.00 0.93 -0.65 -2.27 0.00 0.00 179.45 177.22 3hbl s GLN 560 N -4.82 4.24 -0.12 1.90 -1.52 -0.88 -4.93 119.66 113.53 3hbl s GLN 560 Ca -0.05 2.07 -0.27 0.00 -1.95 0.00 0.00 55.36 55.16 3hbl s GLN 560 Cb 0.18 -3.68 -0.27 0.00 -0.22 0.00 0.00 33.01 29.03 3hbl s GLN 560 CO 0.66 -0.67 0.78 0.22 -0.25 0.00 0.00 175.29 176.03 3hbl h ASP 561 N 8.31 0.10 -3.43 5.90 3.58 -1.86 -3.46 116.42 125.55 3hbl h ASP 561 Ca -0.38 -0.98 -0.57 0.00 0.42 0.00 0.00 57.03 55.52 3hbl h ASP 561 Cb 1.18 -0.03 0.15 0.00 1.72 0.00 0.00 39.33 42.35 3hbl h ASP 561 CO 0.92 1.10 0.14 0.47 -2.88 0.00 0.00 179.24 178.99 3hbl n ASP 562 N -4.50 0.93 -4.69 2.28 9.92 -1.26 -4.86 116.55 114.37 3hbl n ASP 562 Ca -0.12 0.88 -0.42 0.00 -0.53 0.00 0.00 54.79 54.60 3hbl n ASP 562 Cb 0.56 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.63 3hbl n ASP 562 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hbl s VAL 563 N -1.45 4.31 0.17 2.53 1.01 -0.95 -4.95 120.40 121.07 3hbl s VAL 563 Ca 0.71 1.63 -0.15 0.00 0.00 0.00 0.00 61.98 64.17 3hbl s VAL 563 Cb -0.45 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 31.81 3hbl s VAL 563 CO 0.50 0.00 0.57 -0.76 0.00 0.00 0.00 175.10 175.42 3hbl s LEU 564 N 2.16 4.32 0.15 3.92 1.43 -0.83 -2.34 118.68 127.49 3hbl s LEU 564 Ca 0.55 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.85 3hbl s LEU 564 Cb -0.24 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 3hbl s LEU 564 CO 0.22 0.07 -0.17 -1.48 0.23 0.00 0.00 176.35 175.22 3hbl s LEU 565 N -2.05 2.73 -0.15 1.79 0.05 -1.26 -2.28 118.68 117.50 3hbl s LEU 565 Ca 0.40 -0.62 -0.02 0.00 0.05 0.00 0.00 54.13 53.94 3hbl s LEU 565 Cb -0.15 -1.51 -0.02 0.00 -2.05 0.00 0.00 46.19 42.46 3hbl s LEU 565 CO 0.19 0.15 -0.07 -0.89 -0.55 0.00 0.00 176.35 175.18 3hbl s THR 566 N -1.38 3.52 0.04 5.48 2.01 0.51 -1.00 115.64 124.81 3hbl s THR 566 Ca 0.20 -0.49 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 3hbl s THR 566 Cb -0.10 -2.52 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 3hbl s THR 566 CO 0.11 0.50 0.57 -0.62 -0.69 0.00 0.00 174.62 174.50 3hbl s ASP 567 N 0.44 7.02 0.00 3.53 2.15 -1.10 -0.18 116.67 128.54 3hbl s ASP 567 Ca -0.06 1.21 0.00 0.00 0.43 0.00 0.00 52.55 54.13 3hbl s ASP 567 Cb -0.15 -2.36 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 3hbl s ASP 567 CO 0.04 0.21 0.66 0.35 -0.17 0.00 0.00 175.17 176.26 3hbl n THR 568 N 2.12 0.34 -0.29 1.71 -2.24 -0.79 -0.94 114.28 114.18 3hbl n THR 568 Ca -0.09 -0.66 0.08 0.00 -2.27 0.00 0.00 64.05 61.11 3hbl n THR 568 Cb 0.51 0.85 0.23 0.00 -2.10 0.00 0.00 70.33 69.81 3hbl n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hbl h THR 569 N 0.04 0.67 0.00 4.28 2.02 -1.80 0.20 112.91 118.32 3hbl h THR 569 Ca 0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3hbl h THR 569 Cb 0.18 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3hbl h THR 569 CO 0.00 0.10 0.00 -0.26 0.37 0.00 0.00 175.52 175.73 3hbl h PHE 570 N 0.55 0.00 0.00 3.16 -1.00 -1.86 -3.37 116.94 114.42 3hbl h PHE 570 Ca 0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.24 3hbl h PHE 570 Cb 0.71 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.27 3hbl h PHE 570 CO -0.12 0.00 0.00 -2.13 -1.61 0.00 0.00 178.31 174.45 3hbl n ARG 571 N -2.60 0.00 -0.13 1.51 0.00 0.51 -4.76 116.66 111.19 3hbl n ARG 571 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.82 3hbl n ARG 571 Cb 0.30 0.00 0.14 0.00 0.00 0.00 0.00 32.46 32.91 3hbl n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3hbl h ASP 572 N 0.00 0.81 -0.74 6.15 -0.00 -1.31 -2.89 116.42 118.44 3hbl h ASP 572 Ca 0.00 -0.20 0.11 0.00 -0.00 0.00 0.00 57.03 56.94 3hbl h ASP 572 Cb 0.00 -0.21 -0.08 0.00 -0.00 0.00 0.00 39.33 39.04 3hbl h ASP 572 CO 0.00 0.87 0.37 0.00 -0.00 0.00 0.00 179.24 180.47 3hbl h ALA 573 N 1.23 1.04 0.00 -0.78 0.00 -1.44 -2.16 119.26 117.15 3hbl h ALA 573 Ca 0.15 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3hbl h ALA 573 Cb 0.45 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hbl h ALA 573 CO 0.02 -0.06 -1.12 1.12 0.00 0.00 0.00 179.25 179.21 3hbl h HIS 574 N 0.60 0.00 -0.13 0.00 2.07 -1.70 -2.87 115.15 113.11 3hbl h HIS 574 Ca 0.38 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.90 3hbl h HIS 574 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.41 3hbl h HIS 574 CO -0.11 0.44 0.08 0.37 -3.07 0.00 0.00 177.93 175.64 3hbl h GLN 575 N 0.00 0.17 0.02 5.12 4.15 -1.19 0.15 115.11 123.53 3hbl h GLN 575 Ca -0.10 -0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.27 3hbl h GLN 575 Cb 1.42 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.08 3hbl h GLN 575 CO 0.04 0.12 -0.22 0.77 -1.93 0.00 0.00 178.83 177.61 3hbl h SER 576 N 0.17 0.07 0.17 -0.69 0.02 -1.46 -3.36 113.55 108.48 3hbl h SER 576 Ca 0.05 -0.96 -0.36 0.00 -0.84 0.00 0.00 61.79 59.68 3hbl h SER 576 Cb -0.00 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3hbl h SER 576 CO -0.01 1.10 -1.88 -0.07 -1.14 0.00 0.00 176.83 174.83 3hbl h LEU 577 N -0.90 0.48 -2.97 5.07 3.38 -1.26 -3.39 115.31 115.71 3hbl h LEU 577 Ca -0.05 -0.91 -0.02 0.00 0.09 0.00 0.00 57.88 57.00 3hbl h LEU 577 Cb 1.12 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3hbl h LEU 577 CO 0.01 1.79 -0.46 0.18 0.09 0.00 0.00 178.44 180.05 3hbl n LEU 578 N -3.51 2.40 -2.72 1.67 4.77 0.43 -0.76 117.00 119.28 3hbl n LEU 578 Ca -0.28 -3.49 -0.19 0.00 -0.03 0.00 0.00 56.01 52.03 3hbl n LEU 578 Cb 1.06 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 3hbl n LEU 578 CO 0.47 1.16 -0.13 0.00 -1.33 0.00 0.00 177.39 177.55 3hbl n ALA 579 N -0.98 -0.83 -1.33 -1.18 0.00 -0.93 -2.17 120.51 113.09 3hbl n ALA 579 Ca 0.17 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.65 3hbl n ALA 579 Cb 0.73 -2.44 -0.05 0.00 0.00 0.00 0.00 19.45 17.69 3hbl n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hbl n THR 580 N -3.89 0.00 1.56 0.00 -1.04 -0.56 -4.89 114.28 105.46 3hbl n THR 580 Ca -0.14 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.02 3hbl n THR 580 Cb 0.62 -1.34 0.72 0.00 -1.82 0.00 0.00 70.33 68.51 3hbl n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3hbl n ARG 581 N -2.19 0.77 -1.86 -2.82 5.12 -0.92 -4.82 116.66 109.94 3hbl n ARG 581 Ca -0.11 -0.18 -0.42 0.00 -1.93 0.00 0.00 57.85 55.21 3hbl n ARG 581 Cb 0.43 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.21 3hbl n ARG 581 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hbl s VAL 582 N -2.35 3.24 0.49 1.55 1.01 -1.26 -4.95 120.40 118.12 3hbl s VAL 582 Ca 0.34 0.40 -0.13 0.00 0.00 0.00 0.00 61.98 62.59 3hbl s VAL 582 Cb 0.21 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 3hbl s VAL 582 CO 0.44 -0.03 0.90 -0.13 0.00 0.00 0.00 175.10 176.28 3hbl s ARG 583 N 3.87 3.83 0.22 2.72 0.52 -1.26 -4.98 118.95 123.87 3hbl s ARG 583 Ca 0.79 0.72 -0.10 0.00 -0.52 0.00 0.00 55.73 56.62 3hbl s ARG 583 Cb -0.38 -2.23 0.32 0.00 0.52 0.00 0.00 34.95 33.18 3hbl s ARG 583 CO 0.35 -0.22 1.66 1.15 0.02 0.00 0.00 175.30 178.26 3hbl h THR 584 N 0.80 0.48 -0.79 0.02 2.02 -1.92 -2.81 112.91 110.71 3hbl h THR 584 Ca -0.47 -0.04 0.19 0.00 0.77 0.00 0.00 66.41 66.86 3hbl h THR 584 Cb 1.19 0.34 -0.12 0.00 -1.74 0.00 0.00 68.15 67.81 3hbl h THR 584 CO 0.62 0.02 0.19 0.50 0.37 0.00 0.00 175.52 177.23 3hbl h LYS 585 N 0.13 0.24 0.00 6.66 1.63 -1.89 0.53 116.57 123.87 3hbl h LYS 585 Ca 0.34 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.07 3hbl h LYS 585 Cb 0.56 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3hbl h LYS 585 CO -0.54 0.16 -0.25 -0.44 -3.45 0.00 0.00 179.45 174.93 3hbl h ASP 586 N 0.25 0.00 0.11 4.20 3.45 -1.87 -1.80 116.42 120.75 3hbl h ASP 586 Ca 0.46 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.70 3hbl h ASP 586 Cb 0.85 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 3hbl h ASP 586 CO -0.57 0.25 -1.12 0.24 -1.57 0.00 0.00 179.24 176.47 3hbl h MET 587 N 0.00 0.22 -0.28 3.56 2.86 -0.13 -3.31 114.93 117.85 3hbl h MET 587 Ca -0.00 -0.38 -0.10 0.00 -2.06 0.00 0.00 59.70 57.16 3hbl h MET 587 Cb 0.73 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 3hbl h MET 587 CO 0.03 1.18 -0.25 0.97 1.06 0.00 0.00 176.91 179.91 3hbl h ILE 588 N -0.43 1.27 -0.86 -1.22 -0.00 -0.51 -2.03 117.51 113.73 3hbl h ILE 588 Ca -0.24 -1.28 0.10 0.00 -0.00 0.00 0.00 64.86 63.44 3hbl h ILE 588 Cb 1.64 1.32 -0.08 0.00 -0.00 0.00 0.00 36.82 39.70 3hbl h ILE 588 CO 0.06 0.41 0.50 0.78 -0.00 0.00 0.00 178.15 179.90 3hbl h ASN 589 N 0.48 0.70 -0.02 2.19 -0.26 -1.46 -2.67 115.58 114.54 3hbl h ASN 589 Ca 0.07 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.86 3hbl h ASN 589 Cb 0.68 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 3hbl h ASN 589 CO 0.05 0.39 -0.01 0.00 -1.06 0.00 0.00 177.43 176.81 3hbl n ILE 590 N -4.73 0.00 -0.11 2.81 0.13 -1.04 -4.55 119.36 111.87 3hbl n ILE 590 Ca 0.15 -0.40 -0.08 0.00 -1.10 0.00 0.00 62.75 61.32 3hbl n ILE 590 Cb 0.30 1.09 -0.01 0.00 -0.84 0.00 0.00 39.64 40.19 3hbl n ILE 590 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hbl h ALA 591 N 4.56 0.45 -0.98 1.51 0.00 -1.01 -1.09 119.26 122.70 3hbl h ALA 591 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hbl h ALA 591 Cb 0.80 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3hbl h ALA 591 CO 0.00 -0.10 0.64 0.66 0.00 0.00 0.00 179.25 180.46 3hbl h SER 592 N 0.47 1.09 -0.36 0.00 4.64 -1.80 -0.97 113.55 116.63 3hbl h SER 592 Ca 0.13 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 592 Cb -0.05 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 3hbl h SER 592 CO -0.03 0.77 -0.20 0.50 -0.87 0.00 0.00 176.83 177.00 3hbl h LYS 593 N 1.28 0.76 -0.59 4.77 1.63 -1.72 -3.12 116.57 119.58 3hbl h LYS 593 Ca 0.37 -0.34 0.05 0.00 -0.85 0.00 0.00 60.65 59.88 3hbl h LYS 593 Cb -0.08 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.48 3hbl h LYS 593 CO -0.10 0.96 0.32 1.15 -3.45 0.00 0.00 179.45 178.33 3hbl h THR 594 N 0.55 0.97 -0.98 1.00 2.02 -0.61 0.53 112.91 116.39 3hbl h THR 594 Ca 0.08 -0.21 0.15 0.00 0.77 0.00 0.00 66.41 67.20 3hbl h THR 594 Cb 0.75 0.31 -0.09 0.00 -1.74 0.00 0.00 68.15 67.38 3hbl h THR 594 CO 0.06 0.11 0.62 0.00 0.37 0.00 0.00 175.52 176.67 3hbl h ALA 595 N 1.31 1.66 0.12 6.16 0.00 -1.16 0.22 119.26 127.58 3hbl h ALA 595 Ca 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hbl h ALA 595 Cb 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hbl h ALA 595 CO -0.17 0.05 -0.06 0.22 0.00 0.00 0.00 179.25 179.29 3hbl h ASP 596 N 0.84 -0.14 -0.67 0.00 -0.00 -1.29 -2.65 116.42 112.51 3hbl h ASP 596 Ca 0.52 -0.39 0.02 0.00 -0.00 0.00 0.00 57.03 57.18 3hbl h ASP 596 Cb 0.70 0.04 -0.04 0.00 -0.00 0.00 0.00 39.33 40.03 3hbl h ASP 596 CO -0.29 0.47 0.44 0.58 -0.00 0.00 0.00 179.24 180.44 3hbl h VAL 597 N -0.91 1.12 -0.55 2.25 2.07 -0.59 -2.39 116.25 117.26 3hbl h VAL 597 Ca -0.02 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.03 3hbl h VAL 597 Cb 0.52 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.39 3hbl h VAL 597 CO 0.03 0.15 0.15 0.49 0.02 0.00 0.00 177.57 178.41 3hbl n PHE 598 N -4.45 1.78 -0.33 1.57 3.01 0.76 -3.65 117.46 116.16 3hbl n PHE 598 Ca 0.08 -1.31 0.19 0.00 1.01 0.00 0.00 57.45 57.42 3hbl n PHE 598 Cb 0.09 -0.57 0.44 0.00 -0.01 0.00 0.00 39.48 39.43 3hbl n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3hbl h LYS 599 N 1.80 0.50 -0.59 -1.08 2.10 -1.04 0.16 116.57 118.42 3hbl h LYS 599 Ca 0.23 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 3hbl h LYS 599 Cb 2.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 33.21 3hbl h LYS 599 CO 0.56 0.33 0.00 -0.25 -2.00 0.00 0.00 179.45 178.09 3hbl n ASP 600 N -4.69 4.63 -4.83 7.07 8.00 -1.26 -4.53 116.55 120.93 3hbl n ASP 600 Ca 0.24 -2.49 -0.31 0.00 0.71 0.00 0.00 54.79 52.95 3hbl n ASP 600 Cb 0.76 -0.56 0.05 0.00 -0.02 0.00 0.00 41.12 41.36 3hbl n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hbl s GLY 601 N -1.00 1.65 -0.10 0.44 0.00 0.57 -4.78 107.32 104.10 3hbl s GLY 601 Ca 0.49 -0.08 -0.19 0.00 0.00 0.00 0.00 44.72 44.94 3hbl s GLY 601 CO 0.22 0.26 0.61 -2.75 0.00 0.00 0.00 173.10 171.44 3hbl h PHE 602 N -0.73 -0.06 -3.58 1.90 3.57 -1.37 -3.42 116.94 113.26 3hbl h PHE 602 Ca -0.45 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 3hbl h PHE 602 Cb 1.23 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 39.88 3hbl h PHE 602 CO 0.57 0.51 -0.11 -1.54 -2.23 0.00 0.00 178.31 175.51 3hbl s SER 603 N -5.82 -0.12 -0.26 0.41 1.04 -1.25 -3.83 113.70 103.89 3hbl s SER 603 Ca -0.12 -0.76 -0.03 0.00 0.48 0.00 0.00 55.95 55.51 3hbl s SER 603 Cb -0.01 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3hbl s SER 603 CO 0.45 -1.06 -0.02 -0.76 0.98 0.00 0.00 173.24 172.83 3hbl s LEU 604 N -2.96 3.33 -0.27 2.42 1.43 0.44 -2.70 118.68 120.38 3hbl s LEU 604 Ca 0.16 -0.75 -0.29 0.00 -1.03 0.00 0.00 54.13 52.23 3hbl s LEU 604 Cb 0.00 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 3hbl s LEU 604 CO 0.03 -0.13 1.28 -0.70 0.23 0.00 0.00 176.35 177.06 3hbl s GLU 605 N 1.40 4.00 0.00 1.70 2.12 -0.12 -0.26 118.70 127.54 3hbl s GLU 605 Ca 0.02 1.34 0.00 0.00 0.36 0.00 0.00 54.97 56.69 3hbl s GLU 605 Cb -0.16 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.39 3hbl s GLU 605 CO -0.02 -1.00 0.30 0.00 -0.54 0.00 0.00 175.26 174.00 3hbl n MET 606 N 7.11 0.00 -4.03 4.30 0.00 -0.48 -3.02 117.12 121.00 3hbl n MET 606 Ca 0.14 -0.30 -0.14 0.00 0.00 0.00 0.00 57.70 57.40 3hbl n MET 606 Cb 0.46 -0.37 -0.03 0.00 0.00 0.00 0.00 33.22 33.28 3hbl n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3hbl s TRP 607 N 0.00 0.89 0.00 3.17 -0.00 -1.21 -4.70 118.94 117.09 3hbl s TRP 607 Ca 0.00 -1.21 0.00 0.00 -0.00 0.00 0.00 56.10 54.89 3hbl s TRP 607 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 33.47 33.58 3hbl s TRP 607 CO 0.00 -1.24 0.00 0.41 -0.00 0.00 0.00 176.95 176.12 3hbl n GLY 608 N -0.57 -1.68 7.00 5.86 0.00 -1.26 -2.92 105.19 111.62 3hbl n GLY 608 Ca -0.01 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3hbl n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 609 N 0.00 1.95 0.95 -0.02 0.00 -1.25 -3.04 105.19 103.78 3hbl n GLY 609 Ca 0.00 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.63 3hbl n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbl n ALA 610 N 9.98 2.38 -0.05 4.61 0.00 -1.26 -4.47 120.51 131.69 3hbl n ALA 610 Ca 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 53.44 52.41 3hbl n ALA 610 Cb 0.00 -0.71 0.16 0.00 0.00 0.00 0.00 19.45 18.90 3hbl n ALA 610 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hbl h THR 611 N 3.62 1.26 0.01 0.00 1.35 -1.89 -0.27 112.91 116.99 3hbl h THR 611 Ca 0.00 -1.21 -0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3hbl h THR 611 Cb 0.85 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3hbl h THR 611 CO 0.00 0.40 -0.00 0.15 -0.25 0.00 0.00 175.52 175.82 3hbl h PHE 612 N 0.59 -0.01 0.75 4.73 3.57 -1.78 0.01 116.94 124.80 3hbl h PHE 612 Ca 0.10 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 3hbl h PHE 612 Cb 0.62 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.37 3hbl h PHE 612 CO 0.03 0.26 -0.36 0.22 -2.23 0.00 0.00 178.31 176.23 3hbl h ASP 613 N -0.28 -0.85 -0.47 0.41 -0.00 -1.83 -3.03 116.42 110.38 3hbl h ASP 613 Ca -0.00 0.03 0.07 0.00 -0.00 0.00 0.00 57.03 57.13 3hbl h ASP 613 Cb 0.27 0.22 -0.06 0.00 -0.00 0.00 0.00 39.33 39.76 3hbl h ASP 613 CO 0.00 -0.49 0.12 0.58 -0.00 0.00 0.00 179.24 179.45 3hbl h VAL 614 N -1.24 0.78 -0.19 2.25 2.07 -1.09 0.34 116.25 119.16 3hbl h VAL 614 Ca -0.10 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.38 3hbl h VAL 614 Cb 0.77 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 3hbl h VAL 614 CO 0.17 0.05 -0.32 0.00 0.02 0.00 0.00 177.57 177.49 3hbl h ALA 615 N 1.34 -0.33 -0.54 1.67 0.00 -1.08 0.23 119.26 120.56 3hbl h ALA 615 Ca 0.23 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3hbl h ALA 615 Cb 0.28 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3hbl h ALA 615 CO -0.28 -0.78 0.02 1.88 0.00 0.00 0.00 179.25 180.09 3hbl h TYR 616 N -0.36 0.96 0.00 0.00 0.99 -1.28 0.20 116.97 117.49 3hbl h TYR 616 Ca 0.11 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3hbl h TYR 616 Cb 0.54 -0.26 0.00 0.00 1.00 0.00 0.00 36.73 38.01 3hbl h TYR 616 CO -0.43 0.86 0.00 -1.71 -0.00 0.00 0.00 178.16 176.88 3hbl n ASN 617 N -4.21 0.00 -0.03 3.88 4.05 0.11 -3.63 115.26 115.44 3hbl n ASN 617 Ca 0.03 0.23 -0.15 0.00 0.45 0.00 0.00 54.58 55.13 3hbl n ASN 617 Cb 0.31 -0.24 -0.09 0.00 1.23 0.00 0.00 39.78 40.98 3hbl n ASN 617 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 3hbl h PHE 618 N 0.00 0.45 0.00 1.20 -1.00 -0.80 -3.32 116.94 113.47 3hbl h PHE 618 Ca 0.00 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.58 3hbl h PHE 618 Cb 0.00 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.49 3hbl h PHE 618 CO 0.00 0.94 -0.32 -0.07 -1.61 0.00 0.00 178.31 177.26 3hbl h LEU 619 N -0.17 0.00 -0.96 1.54 3.38 -1.41 -3.48 115.31 114.21 3hbl h LEU 619 Ca -0.02 -0.02 -0.44 0.00 0.09 0.00 0.00 57.88 57.49 3hbl h LEU 619 Cb 0.98 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.78 3hbl h LEU 619 CO 0.07 0.01 -0.73 0.29 0.09 0.00 0.00 178.44 178.17 3hbl n LYS 620 N -2.78 -6.62 -4.21 1.13 4.76 0.57 -4.88 118.16 106.13 3hbl n LYS 620 Ca 0.03 0.70 -0.19 0.00 -2.87 0.00 0.00 58.31 55.98 3hbl n LYS 620 Cb 0.51 -5.67 -0.12 0.00 -1.84 0.00 0.00 35.03 27.92 3hbl n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3hbl s GLU 621 N -6.45 0.87 -0.24 1.97 -1.05 -0.41 -4.66 118.70 108.73 3hbl s GLU 621 Ca 0.60 -0.96 -0.29 0.00 -0.15 0.00 0.00 54.97 54.18 3hbl s GLU 621 Cb -0.29 -0.92 -0.01 0.00 -0.44 0.00 0.00 34.13 32.48 3hbl s GLU 621 CO 0.78 0.21 1.35 1.21 0.95 0.00 0.00 175.26 179.76 3hbl s ASN 622 N -1.68 6.71 0.27 0.83 3.04 -1.26 -3.11 114.94 119.73 3hbl s ASN 622 Ca -0.00 1.44 0.23 0.00 0.04 0.00 0.00 52.86 54.57 3hbl s ASN 622 Cb -0.10 -2.54 1.00 0.00 -1.54 0.00 0.00 41.25 38.08 3hbl s ASN 622 CO 0.02 -1.01 1.71 -0.81 -3.04 0.00 0.00 177.10 173.97 3hbl n PRO 623 N 7.16 0.19 -0.05 0.43 -0.04 -1.26 -2.19 135.00 139.24 3hbl n PRO 623 Ca 0.15 0.44 -0.16 0.00 -0.04 0.00 0.00 63.50 63.90 3hbl n PRO 623 Cb 0.46 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 3hbl n PRO 623 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hbl h TRP 624 N 0.00 0.96 -0.43 0.54 4.06 -1.98 -2.28 115.95 116.83 3hbl h TRP 624 Ca 0.00 -0.38 -0.08 0.00 2.06 0.00 0.00 58.89 60.49 3hbl h TRP 624 Cb 0.34 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 3hbl h TRP 624 CO 0.00 1.19 -0.08 0.93 -3.56 0.00 0.00 178.44 176.92 3hbl h GLU 625 N 0.45 0.74 -0.73 0.49 5.08 -1.85 -0.13 114.58 118.63 3hbl h GLU 625 Ca -0.02 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3hbl h GLU 625 Cb 1.19 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3hbl h GLU 625 CO 0.12 0.80 0.47 -0.09 -1.00 0.00 0.00 179.01 179.32 3hbl h ARG 626 N 0.68 0.91 -0.48 2.33 2.43 -1.46 0.13 114.38 118.92 3hbl h ARG 626 Ca 0.12 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 3hbl h ARG 626 Cb 0.53 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3hbl h ARG 626 CO 0.03 0.60 0.06 1.25 -1.51 0.00 0.00 179.97 180.41 3hbl h LEU 627 N 0.94 0.78 -0.00 3.80 5.85 -0.77 -2.25 115.31 123.65 3hbl h LEU 627 Ca 0.28 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3hbl h LEU 627 Cb -0.04 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3hbl h LEU 627 CO -0.09 0.85 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.51 3hbl h GLU 628 N 0.67 0.02 -0.65 1.25 5.08 -0.84 -1.84 114.58 118.27 3hbl h GLU 628 Ca 0.14 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 3hbl h GLU 628 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 3hbl h GLU 628 CO 0.01 0.72 0.43 0.00 -1.00 0.00 0.00 179.01 179.17 3hbl h ARG 629 N -0.67 0.57 0.00 2.33 3.08 -0.82 0.37 114.38 119.23 3hbl h ARG 629 Ca -0.00 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3hbl h ARG 629 Cb 0.72 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 3hbl h ARG 629 CO 0.00 0.38 -0.57 -0.07 -1.07 0.00 0.00 179.97 178.64 3hbl h LEU 630 N 0.59 0.00 -0.11 3.04 3.38 -1.45 -3.12 115.31 117.64 3hbl h LEU 630 Ca 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.23 3hbl h LEU 630 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3hbl h LEU 630 CO -0.09 0.57 -0.05 -0.09 0.09 0.00 0.00 178.44 178.87 3hbl h ARG 631 N 0.00 0.22 -0.60 1.13 1.12 -0.08 -0.72 114.38 115.44 3hbl h ARG 631 Ca -0.01 -0.10 0.03 0.00 -1.11 0.00 0.00 59.98 58.80 3hbl h ARG 631 Cb 1.28 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 31.19 3hbl h ARG 631 CO 0.07 0.57 0.36 -0.22 -3.11 0.00 0.00 179.97 177.64 3hbl h LYS 632 N -0.14 0.68 0.00 0.20 3.64 -1.33 -2.89 116.57 116.74 3hbl h LYS 632 Ca 0.02 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3hbl h LYS 632 Cb 0.50 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3hbl h LYS 632 CO 0.02 0.45 -0.63 0.00 -2.27 0.00 0.00 179.45 177.02 3hbl h ALA 633 N 1.28 0.79 -2.85 5.00 0.00 -1.52 -3.38 119.26 118.58 3hbl h ALA 633 Ca 0.25 -0.57 -0.61 0.00 0.00 0.00 0.00 54.91 53.98 3hbl h ALA 633 Cb 0.06 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 17.34 3hbl h ALA 633 CO -0.12 0.78 -0.71 0.42 0.00 0.00 0.00 179.25 179.63 3hbl s ILE 634 N -3.30 2.03 -2.51 0.00 1.01 -0.28 -4.56 121.20 113.59 3hbl s ILE 634 Ca 0.00 -3.70 0.27 0.00 0.00 0.00 0.00 60.65 57.22 3hbl s ILE 634 Cb 0.11 -2.35 0.39 0.00 0.01 0.00 0.00 42.46 40.63 3hbl s ILE 634 CO 0.75 -1.07 1.57 -0.81 0.00 0.00 0.00 174.94 175.37 3hbl n PRO 635 N 2.31 1.71 -0.07 2.79 -0.04 -1.19 -4.36 135.00 136.15 3hbl n PRO 635 Ca 0.22 -1.15 -0.08 0.00 -0.04 0.00 0.00 63.50 62.45 3hbl n PRO 635 Cb 0.39 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 3hbl n PRO 635 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hbl n ASN 636 N 0.36 0.31 -4.63 3.54 6.94 -1.26 -4.61 115.26 115.90 3hbl n ASN 636 Ca 0.16 0.15 -0.30 0.00 -0.02 0.00 0.00 54.58 54.56 3hbl n ASN 636 Cb 0.42 0.67 -0.09 0.00 -2.36 0.00 0.00 39.78 38.42 3hbl n ASN 636 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3hbl s VAL 637 N -2.58 3.72 0.59 3.53 1.01 -1.26 -1.75 120.40 123.66 3hbl s VAL 637 Ca -0.08 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 3hbl s VAL 637 Cb 0.07 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3hbl s VAL 637 CO 0.83 0.18 1.28 -0.76 0.00 0.00 0.00 175.10 176.63 3hbl s LEU 638 N -2.07 3.72 -0.14 3.92 1.43 -1.25 -4.51 118.68 119.77 3hbl s LEU 638 Ca 0.22 2.58 -0.01 0.00 -1.03 0.00 0.00 54.13 55.89 3hbl s LEU 638 Cb -0.11 -4.48 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 3hbl s LEU 638 CO 0.14 -1.67 -0.11 -0.36 0.23 0.00 0.00 176.35 174.58 3hbl s PHE 639 N -1.43 2.85 -0.03 0.29 0.40 -1.26 -0.42 117.98 118.38 3hbl s PHE 639 Ca 0.76 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 56.51 3hbl s PHE 639 Cb -0.36 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 3hbl s PHE 639 CO 0.40 -0.24 -0.26 -1.14 0.70 0.00 0.00 175.22 174.68 3hbl s GLN 640 N 0.49 2.21 0.30 0.44 0.74 0.64 -0.20 119.66 124.28 3hbl s GLN 640 Ca -0.08 -0.92 0.09 0.00 0.05 0.00 0.00 55.36 54.49 3hbl s GLN 640 Cb -0.15 -2.07 -0.06 0.00 1.10 0.00 0.00 33.01 31.83 3hbl s GLN 640 CO 0.04 0.52 -0.10 0.00 -0.55 0.00 0.00 175.29 175.20 3hbl s MET 641 N -0.51 1.66 0.11 1.67 0.23 -0.35 -1.38 119.30 120.74 3hbl s MET 641 Ca 0.07 -1.83 -0.10 0.00 -1.03 0.00 0.00 55.69 52.80 3hbl s MET 641 Cb -0.11 -1.46 -0.06 0.00 -1.53 0.00 0.00 34.83 31.67 3hbl s MET 641 CO 0.00 0.13 0.44 -1.17 -2.03 0.00 0.00 175.02 172.39 3hbl s LEU 642 N -3.51 4.32 -0.08 0.18 2.96 -1.15 -1.54 118.68 119.86 3hbl s LEU 642 Ca 0.30 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 55.00 3hbl s LEU 642 Cb 0.02 -3.15 0.04 0.00 0.50 0.00 0.00 46.19 43.60 3hbl s LEU 642 CO 0.14 0.12 0.11 -0.22 -1.32 0.00 0.00 176.35 175.17 3hbl s LEU 643 N -2.12 0.08 0.04 -0.68 2.96 -0.44 -3.76 118.68 114.75 3hbl s LEU 643 Ca 0.36 0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 54.03 3hbl s LEU 643 Cb -0.14 0.02 -0.07 0.00 0.50 0.00 0.00 46.19 46.51 3hbl s LEU 643 CO 0.19 -0.27 1.47 -0.13 -1.32 0.00 0.00 176.35 176.30 3hbl s ARG 644 N 2.22 4.26 0.26 1.98 0.52 0.18 -2.10 118.95 126.27 3hbl s ARG 644 Ca 0.04 2.09 -0.03 0.00 -0.52 0.00 0.00 55.73 57.31 3hbl s ARG 644 Cb -0.13 -3.53 0.42 0.00 0.52 0.00 0.00 34.95 32.23 3hbl s ARG 644 CO -0.05 -0.60 1.85 0.00 0.02 0.00 0.00 175.30 176.52 3hbl h ALA 645 N 7.82 1.33 0.05 2.13 0.00 -1.17 0.15 119.26 129.56 3hbl h ALA 645 Ca -0.40 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 3hbl h ALA 645 Cb 1.19 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hbl h ALA 645 CO 0.91 0.29 -0.61 0.66 0.00 0.00 0.00 179.25 180.49 3hbl h SER 646 N 1.02 0.45 0.00 0.00 4.64 -1.83 -3.40 113.55 114.42 3hbl h SER 646 Ca 0.43 -0.84 -0.01 0.00 -0.47 0.00 0.00 61.79 60.90 3hbl h SER 646 Cb 0.27 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3hbl h SER 646 CO -0.21 1.24 -0.37 -0.46 -0.87 0.00 0.00 176.83 176.17 3hbl n ASN 647 N -4.23 0.85 0.00 4.97 0.23 -1.22 -4.47 115.26 111.38 3hbl n ASN 647 Ca -0.11 -2.40 0.00 0.00 -0.53 0.00 0.00 54.58 51.54 3hbl n ASN 647 Cb 0.70 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 3hbl n ASN 647 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hbl n ALA 648 N -0.46 0.00 -1.43 -2.53 0.00 0.51 -0.47 120.51 116.12 3hbl n ALA 648 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3hbl n ALA 648 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.15 3hbl n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3hbl n VAL 649 N 0.00 0.00 -2.97 0.00 3.14 -1.26 -0.65 118.33 116.59 3hbl n VAL 649 Ca 0.00 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.33 3hbl n VAL 649 Cb 0.00 0.64 0.02 0.00 -1.06 0.00 0.00 33.84 33.44 3hbl n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3hbl n GLY 650 N 0.00 1.86 0.02 7.55 0.00 0.38 -4.69 105.19 110.32 3hbl n GLY 650 Ca 0.00 -2.15 -0.01 0.00 0.00 0.00 0.00 46.02 43.87 3hbl n GLY 650 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3hbl n TYR 651 N -1.38 0.00 -1.43 1.61 0.18 -1.26 -4.93 117.16 109.94 3hbl n TYR 651 Ca 0.05 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.83 3hbl n TYR 651 Cb 0.17 -0.31 0.00 0.00 -0.38 0.00 0.00 39.34 38.82 3hbl n TYR 651 CO 0.00 0.00 0.00 0.36 -2.08 0.00 0.00 176.86 175.14 3hbl n LYS 652 N -2.08 3.99 -5.05 -3.48 2.85 -1.26 -5.14 118.16 107.99 3hbl n LYS 652 Ca -0.08 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.86 3hbl n LYS 652 Cb 0.53 0.00 -0.14 0.00 -0.65 0.00 0.00 35.03 34.77 3hbl n LYS 652 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3hbl s ASN 653 N -0.17 3.61 0.08 -5.58 0.01 -1.26 -4.73 114.94 106.91 3hbl s ASN 653 Ca 0.00 -0.32 0.06 0.00 -0.71 0.00 0.00 52.86 51.88 3hbl s ASN 653 Cb 0.00 -0.62 -0.03 0.00 0.41 0.00 0.00 41.25 41.00 3hbl s ASN 653 CO 0.00 0.33 -0.15 -0.31 -1.51 0.00 0.00 177.10 175.46 3hbl s TYR 654 N -0.69 1.32 0.72 2.20 1.51 -1.26 -5.07 117.35 116.07 3hbl s TYR 654 Ca 0.11 -0.48 -0.11 0.00 -1.01 0.00 0.00 57.07 55.58 3hbl s TYR 654 Cb -0.10 -0.73 0.03 0.00 -0.11 0.00 0.00 41.96 41.05 3hbl s TYR 654 CO 0.00 0.09 1.07 -1.25 -1.11 0.00 0.00 175.55 174.36 3hbl s PRO 655 N -1.95 2.65 0.25 -1.71 0.04 -1.26 -4.65 135.00 128.36 3hbl s PRO 655 Ca 0.01 1.07 -0.07 0.00 0.04 0.00 0.00 61.00 62.05 3hbl s PRO 655 Cb -0.09 -1.95 0.44 0.00 0.04 0.00 0.00 34.50 32.94 3hbl s PRO 655 CO 0.03 -1.33 1.63 -0.44 0.04 0.00 0.00 177.00 176.92 3hbl h ASP 656 N -0.83 -0.41 -0.51 6.66 5.19 -1.89 -1.20 116.42 123.42 3hbl h ASP 656 Ca -0.44 0.21 0.12 0.00 -0.62 0.00 0.00 57.03 56.29 3hbl h ASP 656 Cb 1.22 0.37 -0.03 0.00 0.18 0.00 0.00 39.33 41.08 3hbl h ASP 656 CO 0.54 -0.20 0.35 -0.55 -3.12 0.00 0.00 179.24 176.26 3hbl h ASN 657 N 0.08 0.16 -0.31 6.45 -1.07 -1.98 -0.11 115.58 118.79 3hbl h ASN 657 Ca 0.42 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.68 3hbl h ASN 657 Cb 0.73 -0.03 -0.02 0.00 -2.07 0.00 0.00 38.32 36.93 3hbl h ASN 657 CO -0.70 0.09 -0.18 0.58 0.07 0.00 0.00 177.43 177.29 3hbl h VAL 658 N 0.17 1.27 -0.10 6.14 2.07 -1.58 0.71 116.25 124.93 3hbl h VAL 658 Ca 0.24 -1.27 -0.08 0.00 0.82 0.00 0.00 66.70 66.41 3hbl h VAL 658 Cb 0.71 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3hbl h VAL 658 CO -0.04 0.43 -0.25 0.40 0.02 0.00 0.00 177.57 178.13 3hbl h ILE 659 N 0.69 1.40 -0.23 4.57 2.04 -1.25 -2.60 117.51 122.12 3hbl h ILE 659 Ca 0.10 -1.57 0.04 0.00 1.00 0.00 0.00 64.86 64.44 3hbl h ILE 659 Cb 0.68 2.16 -0.07 0.00 -0.74 0.00 0.00 36.82 38.85 3hbl h ILE 659 CO 0.05 0.45 -0.53 0.45 0.00 0.00 0.00 178.15 178.58 3hbl h HIS 660 N -0.11 -1.57 -0.79 1.37 3.86 -0.90 -1.68 115.15 115.33 3hbl h HIS 660 Ca -0.00 0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 3hbl h HIS 660 Cb 0.86 0.72 -0.04 0.00 1.06 0.00 0.00 27.41 30.01 3hbl h HIS 660 CO 0.11 -0.52 0.48 -0.22 0.86 0.00 0.00 177.93 178.65 3hbl h LYS 661 N -0.51 1.08 -0.55 2.45 3.64 -0.94 0.27 116.57 122.00 3hbl h LYS 661 Ca 0.06 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3hbl h LYS 661 Cb 0.65 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 3hbl h LYS 661 CO -0.49 0.76 0.35 0.35 -2.27 0.00 0.00 179.45 178.15 3hbl h PHE 662 N 1.09 0.65 -0.25 1.91 3.57 -1.18 -0.84 116.94 121.88 3hbl h PHE 662 Ca 0.29 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.79 3hbl h PHE 662 Cb -0.04 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 3hbl h PHE 662 CO -0.01 0.39 0.12 0.28 -2.23 0.00 0.00 178.31 176.87 3hbl h VAL 663 N 0.70 1.14 -0.41 1.41 2.07 -0.80 -1.48 116.25 118.88 3hbl h VAL 663 Ca 0.22 -0.40 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3hbl h VAL 663 Cb -0.02 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 3hbl h VAL 663 CO -0.08 0.14 -0.30 1.56 0.02 0.00 0.00 177.57 178.92 3hbl h GLN 664 N 0.28 -0.21 0.00 1.57 4.20 -0.35 0.29 115.11 120.89 3hbl h GLN 664 Ca 0.09 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 3hbl h GLN 664 Cb 0.11 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3hbl h GLN 664 CO -0.01 -0.14 -0.57 0.93 -0.67 0.00 0.00 178.83 178.37 3hbl h GLU 665 N -0.22 0.00 -0.33 1.46 4.39 -1.11 -1.63 114.58 117.13 3hbl h GLU 665 Ca 0.18 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.73 3hbl h GLU 665 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3hbl h GLU 665 CO -0.53 0.57 -0.39 0.77 -1.16 0.00 0.00 179.01 178.26 3hbl h SER 666 N 0.00 0.85 -0.59 1.42 0.02 -0.32 -0.44 113.55 114.50 3hbl h SER 666 Ca -0.01 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.47 3hbl h SER 666 Cb 1.01 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 3hbl h SER 666 CO 0.07 1.14 0.03 0.00 -1.14 0.00 0.00 176.83 176.93 3hbl h ALA 667 N 0.90 0.90 -0.33 3.77 0.00 -0.15 0.05 119.26 124.40 3hbl h ALA 667 Ca 0.06 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3hbl h ALA 667 Cb 0.95 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hbl h ALA 667 CO 0.09 0.66 -0.09 0.87 0.00 0.00 0.00 179.25 180.78 3hbl h LYS 668 N 0.96 0.64 0.00 0.00 1.57 -1.18 -3.26 116.57 115.30 3hbl h LYS 668 Ca 0.18 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3hbl h LYS 668 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3hbl h LYS 668 CO 0.02 0.82 -0.24 0.00 -0.57 0.00 0.00 179.45 179.49 3hbl h ALA 669 N 0.80 1.02 0.00 3.86 0.00 -0.99 -3.46 119.26 120.49 3hbl h ALA 669 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hbl h ALA 669 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hbl h ALA 669 CO 0.03 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.99 3hbl n GLY 670 N 0.14 -0.97 3.72 0.00 0.00 -0.88 -4.51 105.19 102.69 3hbl n GLY 670 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hbl n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hbl s ILE 671 N -0.03 4.65 -0.03 -0.61 -1.09 -0.05 -4.49 121.20 119.55 3hbl s ILE 671 Ca 0.00 2.03 0.02 0.00 -2.23 0.00 0.00 60.65 60.47 3hbl s ILE 671 Cb 0.00 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.54 3hbl s ILE 671 CO 0.00 0.26 -0.01 0.47 -1.23 0.00 0.00 174.94 174.43 3hbl n ASP 672 N 3.19 3.98 -4.24 3.58 9.92 0.73 -4.43 116.55 129.28 3hbl n ASP 672 Ca 0.03 -0.01 -0.34 0.00 -0.53 0.00 0.00 54.79 53.95 3hbl n ASP 672 Cb 0.50 0.28 -0.15 0.00 -0.64 0.00 0.00 41.12 41.11 3hbl n ASP 672 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3hbl s VAL 673 N -2.08 2.70 -0.38 2.53 1.01 -0.12 -0.90 120.40 123.15 3hbl s VAL 673 Ca -0.03 -0.74 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 3hbl s VAL 673 Cb 0.01 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 34.29 3hbl s VAL 673 CO 0.11 0.50 0.18 -0.36 0.00 0.00 0.00 175.10 175.53 3hbl s PHE 674 N 1.10 3.33 -0.79 5.22 0.08 0.10 -1.21 117.98 125.81 3hbl s PHE 674 Ca 0.00 -1.59 -0.26 0.00 0.12 0.00 0.00 56.93 55.20 3hbl s PHE 674 Cb -0.14 -2.69 0.03 0.00 -0.57 0.00 0.00 43.02 39.65 3hbl s PHE 674 CO -0.04 -0.81 1.32 0.50 -0.10 0.00 0.00 175.22 176.09 3hbl s ARG 675 N 1.38 3.25 -0.30 0.44 3.52 -0.59 0.04 118.95 126.69 3hbl s ARG 675 Ca 0.02 -0.39 -0.20 0.00 -0.13 0.00 0.00 55.73 55.03 3hbl s ARG 675 Cb -0.21 -4.40 -0.01 0.00 -1.56 0.00 0.00 34.95 28.76 3hbl s ARG 675 CO 0.02 -2.18 0.61 0.42 -0.81 0.00 0.00 175.30 173.36 3hbl s ILE 676 N 5.67 4.96 0.09 4.11 1.01 0.62 -1.33 121.20 136.34 3hbl s ILE 676 Ca 0.38 0.84 0.06 0.00 0.00 0.00 0.00 60.65 61.93 3hbl s ILE 676 Cb -0.07 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 3hbl s ILE 676 CO 0.10 -0.11 -0.16 0.72 0.00 0.00 0.00 174.94 175.49 3hbl s PHE 677 N 2.56 1.42 -0.03 3.97 -0.71 -0.89 -2.07 117.98 122.23 3hbl s PHE 677 Ca 0.24 -0.46 0.04 0.00 -1.04 0.00 0.00 56.93 55.72 3hbl s PHE 677 Cb -0.15 -0.78 -0.03 0.00 -1.21 0.00 0.00 43.02 40.85 3hbl s PHE 677 CO 0.11 0.11 -0.14 0.34 -1.34 0.00 0.00 175.22 174.31 3hbl s ASP 678 N -1.87 4.03 0.00 1.98 -1.08 -1.26 -0.61 116.67 117.86 3hbl s ASP 678 Ca 0.02 -0.24 0.10 0.00 -0.52 0.00 0.00 52.55 51.92 3hbl s ASP 678 Cb -0.09 -0.82 0.62 0.00 -1.46 0.00 0.00 42.92 41.17 3hbl s ASP 678 CO 0.03 0.32 1.28 -1.54 0.52 0.00 0.00 175.17 175.78 3hbl n SER 679 N 2.09 0.00 0.00 -0.34 3.41 -1.26 -2.46 113.62 115.06 3hbl n SER 679 Ca -0.17 -1.37 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 3hbl n SER 679 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3hbl n SER 679 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hbl n LEU 680 N -0.69 0.32 -2.66 1.04 4.77 -1.26 -4.42 117.00 114.10 3hbl n LEU 680 Ca 0.08 -0.32 -0.16 0.00 -0.03 0.00 0.00 56.01 55.58 3hbl n LEU 680 Cb 0.04 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3hbl n LEU 680 CO 0.06 0.08 -0.13 0.59 -1.33 0.00 0.00 177.39 176.66 3hbl n ASN 681 N -0.08 -4.14 -4.53 -1.43 3.02 -1.03 -4.44 115.26 102.63 3hbl n ASN 681 Ca 0.00 0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 3hbl n ASN 681 Cb 0.45 -3.48 -0.07 0.00 -0.61 0.00 0.00 39.78 36.07 3hbl n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3hbl s TRP 682 N -2.74 3.09 0.39 3.10 -0.00 -1.26 -4.94 118.94 116.58 3hbl s TRP 682 Ca 0.10 0.01 0.16 0.00 -0.00 0.00 0.00 56.10 56.37 3hbl s TRP 682 Cb -0.05 -3.27 0.91 0.00 -0.00 0.00 0.00 33.47 31.06 3hbl s TRP 682 CO 0.12 -0.80 1.91 0.28 -0.00 0.00 0.00 176.95 178.46 3hbl h VAL 683 N 5.82 1.10 -0.87 5.86 2.07 -1.96 -2.97 116.25 125.31 3hbl h VAL 683 Ca -0.26 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.37 3hbl h VAL 683 Cb 1.10 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 3hbl h VAL 683 CO 0.87 0.27 0.57 -0.78 0.02 0.00 0.00 177.57 178.52 3hbl h ASP 684 N 0.00 0.82 0.41 0.57 1.82 -2.00 -0.81 116.42 117.22 3hbl h ASP 684 Ca -0.00 0.01 -0.05 0.00 -0.39 0.00 0.00 57.03 56.60 3hbl h ASP 684 Cb 0.52 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.36 3hbl h ASP 684 CO 0.04 0.51 -0.25 1.56 -1.61 0.00 0.00 179.24 179.48 3hbl h GLN 685 N 0.92 0.00 -0.77 0.28 1.08 -1.91 -3.24 115.11 111.46 3hbl h GLN 685 Ca 0.39 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.31 3hbl h GLN 685 Cb 0.31 0.00 -0.17 0.00 -0.05 0.00 0.00 27.48 27.57 3hbl h GLN 685 CO -0.15 0.25 0.34 0.00 -0.95 0.00 0.00 178.83 178.31 3hbl n MET 686 N -3.89 3.31 0.01 1.46 0.00 -0.31 -4.29 117.12 113.41 3hbl n MET 686 Ca -0.02 -3.08 -0.21 0.00 0.00 0.00 0.00 57.70 54.39 3hbl n MET 686 Cb 0.33 -2.19 -0.14 0.00 0.00 0.00 0.00 33.22 31.23 3hbl n MET 686 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 3hbl h LYS 687 N 2.22 0.24 -0.91 3.17 1.57 -1.58 -3.28 116.57 118.00 3hbl h LYS 687 Ca 0.34 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3hbl h LYS 687 Cb 2.41 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 34.84 3hbl h LYS 687 CO 0.80 1.20 0.52 0.28 -0.57 0.00 0.00 179.45 181.68 3hbl h VAL 688 N -0.34 1.26 -0.14 0.50 2.07 -1.83 0.11 116.25 117.88 3hbl h VAL 688 Ca -0.27 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 3hbl h VAL 688 Cb 1.72 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3hbl h VAL 688 CO 0.07 0.28 -0.14 0.00 0.02 0.00 0.00 177.57 177.80 3hbl h ALA 689 N 1.31 0.20 -0.69 1.67 0.00 -1.82 -2.48 119.26 117.44 3hbl h ALA 689 Ca 0.32 -0.32 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3hbl h ALA 689 Cb -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.65 3hbl h ALA 689 CO -0.06 0.07 0.25 -0.97 0.00 0.00 0.00 179.25 178.54 3hbl h ASN 690 N -0.05 0.20 -0.15 0.00 -1.24 -1.53 0.61 115.58 113.42 3hbl h ASN 690 Ca 0.02 0.11 0.02 0.00 0.71 0.00 0.00 56.30 57.15 3hbl h ASN 690 Cb 0.66 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.80 3hbl h ASN 690 CO 0.03 0.09 0.04 -0.33 -1.29 0.00 0.00 177.43 175.97 3hbl h GLU 691 N 0.39 0.11 -0.49 6.67 5.08 -0.79 -0.79 114.58 124.76 3hbl h GLU 691 Ca 0.37 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3hbl h GLU 691 Cb 0.55 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3hbl h GLU 691 CO -0.39 0.07 0.04 0.00 -1.00 0.00 0.00 179.01 177.73 3hbl h ALA 692 N 1.10 0.66 -0.57 3.43 0.00 -0.85 -0.32 119.26 122.71 3hbl h ALA 692 Ca 0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 3hbl h ALA 692 Cb 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hbl h ALA 692 CO -0.07 0.43 -0.01 0.28 0.00 0.00 0.00 179.25 179.87 3hbl h VAL 693 N 0.71 1.27 -0.44 0.00 2.07 -0.86 0.18 116.25 119.17 3hbl h VAL 693 Ca 0.15 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3hbl h VAL 693 Cb 0.45 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3hbl h VAL 693 CO 0.02 0.41 0.18 1.56 0.02 0.00 0.00 177.57 179.76 3hbl h GLN 694 N 0.90 0.66 -0.26 1.57 1.08 -0.98 -1.78 115.11 116.30 3hbl h GLN 694 Ca 0.16 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 3hbl h GLN 694 Cb 0.57 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 3hbl h GLN 694 CO 0.03 0.61 -0.07 0.93 -0.95 0.00 0.00 178.83 179.38 3hbl h GLU 695 N 0.57 0.41 0.00 1.46 5.08 -0.82 -1.05 114.58 120.23 3hbl h GLU 695 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3hbl h GLU 695 Cb 0.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hbl h GLU 695 CO -0.01 0.50 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 3hbl n ALA 696 N -2.48 1.90 -2.69 3.43 0.00 0.61 -4.91 120.51 116.36 3hbl n ALA 696 Ca 0.01 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 3hbl n ALA 696 Cb 0.27 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.38 3hbl n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 697 N 0.53 0.03 3.77 0.00 0.00 -0.40 -5.04 105.19 104.07 3hbl n GLY 697 Ca 0.04 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 3hbl n GLY 697 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbl s LYS 698 N -5.19 2.18 -0.32 1.61 -0.14 -0.74 -4.62 119.74 112.51 3hbl s LYS 698 Ca 0.17 -2.27 -0.28 0.00 -1.36 0.00 0.00 55.97 52.23 3hbl s LYS 698 Cb -0.08 -1.66 0.01 0.00 -1.68 0.00 0.00 37.83 34.42 3hbl s LYS 698 CO 0.22 -0.35 1.03 0.42 -0.76 0.00 0.00 175.35 175.90 3hbl s ILE 699 N -2.82 4.55 -0.27 2.17 1.01 -0.08 -4.57 121.20 121.20 3hbl s ILE 699 Ca 0.16 1.63 -0.11 0.00 0.00 0.00 0.00 60.65 62.32 3hbl s ILE 699 Cb 0.02 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 3hbl s ILE 699 CO 0.09 -0.45 0.20 -0.55 0.00 0.00 0.00 174.94 174.23 3hbl s SER 700 N 1.66 6.08 -0.36 3.58 0.15 -1.26 0.03 113.70 123.57 3hbl s SER 700 Ca 0.43 0.06 -0.07 0.00 0.70 0.00 0.00 55.95 57.07 3hbl s SER 700 Cb -0.12 -2.13 0.05 0.00 -1.71 0.00 0.00 66.02 62.11 3hbl s SER 700 CO 0.15 -0.03 0.15 -0.70 1.20 0.00 0.00 173.24 174.01 3hbl s GLU 701 N 1.57 2.59 0.03 5.44 2.12 0.11 -0.09 118.70 130.46 3hbl s GLU 701 Ca 0.08 -1.28 -0.30 0.00 0.36 0.00 0.00 54.97 53.83 3hbl s GLU 701 Cb -0.15 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.63 3hbl s GLU 701 CO 0.09 -0.76 1.19 0.20 -0.54 0.00 0.00 175.26 175.44 3hbl s GLY 702 N 1.61 2.35 -0.04 -1.50 0.00 0.75 -0.27 107.32 110.21 3hbl s GLY 702 Ca 0.00 0.77 0.06 0.00 0.00 0.00 0.00 44.72 45.56 3hbl s GLY 702 CO 0.02 2.07 -0.23 -1.59 0.00 0.00 0.00 173.10 173.38 3hbl s THR 703 N 1.39 2.32 -0.23 0.90 2.01 -0.88 0.25 115.64 121.40 3hbl s THR 703 Ca 0.58 -1.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.55 3hbl s THR 703 Cb -0.28 -1.84 0.01 0.00 0.01 0.00 0.00 72.50 70.40 3hbl s THR 703 CO 0.27 0.58 -0.05 -0.63 -0.69 0.00 0.00 174.62 174.10 3hbl s ILE 704 N -0.52 3.09 0.12 1.82 1.01 0.09 -4.67 121.20 122.13 3hbl s ILE 704 Ca 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 60.65 59.65 3hbl s ILE 704 Cb -0.11 -2.48 -0.06 0.00 0.01 0.00 0.00 42.46 39.82 3hbl s ILE 704 CO 0.00 0.31 1.01 0.00 0.00 0.00 0.00 174.94 176.27 3hbl s TYR 706 N 0.08 3.39 0.07 0.00 5.04 -0.40 -4.93 117.35 120.59 3hbl s TYR 706 Ca 0.49 0.36 0.03 0.00 -2.44 0.00 0.00 57.07 55.51 3hbl s TYR 706 Cb -0.25 -2.26 -0.03 0.00 0.35 0.00 0.00 41.96 39.77 3hbl s TYR 706 CO 0.31 0.19 -0.10 0.99 -1.34 0.00 0.00 175.55 175.60 3hbl s THR 707 N 0.68 0.80 0.00 4.34 2.01 -1.26 -4.64 115.64 117.57 3hbl s THR 707 Ca 0.10 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.73 3hbl s THR 707 Cb -0.12 -1.03 0.00 0.00 0.01 0.00 0.00 72.50 71.36 3hbl s THR 707 CO 0.02 -0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.12 3hbl n GLY 708 N 1.02 0.58 3.18 4.40 0.00 -1.26 -4.81 105.19 108.31 3hbl n GLY 708 Ca -0.20 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.06 3hbl n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hbl s ASP 709 N -4.00 -1.15 0.00 1.61 3.68 -1.26 -4.86 116.67 110.69 3hbl s ASP 709 Ca 0.00 0.79 0.29 0.00 2.13 0.00 0.00 52.55 55.75 3hbl s ASP 709 Cb 0.00 1.99 1.48 0.00 -1.45 0.00 0.00 42.92 44.94 3hbl s ASP 709 CO 0.00 -0.22 2.01 2.30 0.13 0.00 0.00 175.17 179.39 3hbl n ILE 710 N 5.43 0.05 1.02 4.11 -5.35 -1.26 -2.41 119.36 120.95 3hbl n ILE 710 Ca -0.03 0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.58 3hbl n ILE 710 Cb 0.52 -0.54 0.21 0.00 -1.74 0.00 0.00 39.64 38.08 3hbl n ILE 710 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3hbl n LEU 711 N -1.27 0.61 -3.99 7.28 4.77 -1.26 -4.77 117.00 118.38 3hbl n LEU 711 Ca 0.14 -0.09 -0.31 0.00 -0.03 0.00 0.00 56.01 55.72 3hbl n LEU 711 Cb 0.22 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 40.95 3hbl n LEU 711 CO 0.22 0.15 -0.45 0.21 -1.33 0.00 0.00 177.39 176.18 3hbl s ASN 712 N -2.96 3.63 0.49 -1.43 3.84 -1.01 -4.99 114.94 112.51 3hbl s ASN 712 Ca 0.12 -1.02 0.28 0.00 0.21 0.00 0.00 52.86 52.45 3hbl s ASN 712 Cb 0.17 -1.26 1.00 0.00 -0.55 0.00 0.00 41.25 40.61 3hbl s ASN 712 CO 0.71 -0.17 1.85 -0.65 -2.79 0.00 0.00 177.10 176.05 3hbl h PRO 713 N 7.94 0.00 0.00 0.43 0.11 -1.86 -3.02 132.00 135.60 3hbl h PRO 713 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3hbl h PRO 713 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hbl h PRO 713 CO 0.46 0.07 0.00 1.49 -0.21 0.00 0.00 178.00 179.81 3hbl h GLU 714 N 0.00 0.00 0.00 1.05 4.57 -1.94 -3.34 114.58 114.93 3hbl h GLU 714 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3hbl h GLU 714 Cb 0.70 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.29 3hbl h GLU 714 CO 0.01 0.00 -0.02 -0.09 -1.18 0.00 0.00 179.01 177.73 3hbl h ARG 715 N 0.00 0.00 -2.76 1.92 1.12 -1.84 -3.48 114.38 109.34 3hbl h ARG 715 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 3hbl h ARG 715 Cb 0.57 0.00 -0.24 0.00 -0.01 0.00 0.00 29.97 30.29 3hbl h ARG 715 CO 0.00 0.45 -0.23 0.45 -3.11 0.00 0.00 179.97 177.53 3hbl s SER 716 N -5.86 -0.41 0.00 -3.80 0.15 -1.25 -5.01 113.70 97.52 3hbl s SER 716 Ca -0.09 0.75 0.21 0.00 0.70 0.00 0.00 55.95 57.53 3hbl s SER 716 Cb -0.01 0.78 -0.16 0.00 -1.71 0.00 0.00 66.02 64.92 3hbl s SER 716 CO 0.31 -0.18 0.95 -0.46 1.20 0.00 0.00 173.24 175.07 3hbl n ASN 717 N 2.68 0.98 -0.09 5.45 0.23 -1.26 -4.48 115.26 118.76 3hbl n ASN 717 Ca -0.14 -0.94 -0.17 0.00 -0.53 0.00 0.00 54.58 52.80 3hbl n ASN 717 Cb 0.57 0.92 -0.09 0.00 -2.08 0.00 0.00 39.78 39.10 3hbl n ASN 717 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 3hbl h ILE 717 N 0.05 0.65 -1.26 1.53 5.03 -1.98 -3.43 117.51 118.11 3hbl h ILE 717 Ca 0.00 -1.84 -0.75 0.00 -0.12 0.00 0.00 64.86 62.15 3hbl h ILE 717 Cb 0.51 1.58 -0.14 0.00 -3.03 0.00 0.00 36.82 35.74 3hbl h ILE 717 CO 0.00 0.22 2.29 -1.22 -0.68 0.00 0.00 178.15 178.76 3hbl n TYR 718 N -4.49 2.63 -2.95 1.37 4.02 -1.26 -4.56 117.16 111.92 3hbl n TYR 718 Ca -0.25 -2.80 -0.20 0.00 -0.01 0.00 0.00 57.90 54.64 3hbl n TYR 718 Cb 0.56 -1.80 0.08 0.00 -0.02 0.00 0.00 39.34 38.16 3hbl n TYR 718 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3hbl n THR 719 N 1.72 0.00 -0.25 -0.72 -2.24 -1.26 -4.60 114.28 106.93 3hbl n THR 719 Ca 0.59 -1.86 -0.03 0.00 -2.27 0.00 0.00 64.05 60.48 3hbl n THR 719 Cb 0.26 -0.59 0.08 0.00 -2.10 0.00 0.00 70.33 67.98 3hbl n THR 719 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hbl h LEU 720 N 0.00 0.73 -0.05 3.22 5.85 -1.93 -2.54 115.31 120.60 3hbl h LEU 720 Ca -0.28 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3hbl h LEU 720 Cb 1.24 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3hbl h LEU 720 CO 0.38 0.51 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.68 3hbl h GLU 721 N 0.87 -0.32 -0.62 1.25 4.57 -1.94 -2.49 114.58 115.90 3hbl h GLU 721 Ca 0.29 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.62 3hbl h GLU 721 Cb 0.03 0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 28.58 3hbl h GLU 721 CO -0.11 -0.21 -0.03 -0.92 -1.18 0.00 0.00 179.01 176.55 3hbl h TYR 722 N -0.33 -0.10 -0.51 0.92 3.20 -1.70 -2.29 116.97 116.15 3hbl h TYR 722 Ca 0.07 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 3hbl h TYR 722 Cb 0.44 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 3hbl h TYR 722 CO -0.29 -0.19 -0.10 1.88 -1.64 0.00 0.00 178.16 177.82 3hbl h TYR 723 N 0.09 1.05 -0.27 -3.82 -1.99 -1.26 -2.54 116.97 108.22 3hbl h TYR 723 Ca 0.32 -0.20 -0.01 0.00 2.00 0.00 0.00 58.73 60.83 3hbl h TYR 723 Cb 0.51 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 3hbl h TYR 723 CO -0.40 0.98 0.13 0.28 -0.00 0.00 0.00 178.16 179.15 3hbl h VAL 724 N 0.85 1.15 -0.40 -2.88 2.07 -0.98 -1.02 116.25 115.04 3hbl h VAL 724 Ca 0.14 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3hbl h VAL 724 Cb 0.63 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3hbl h VAL 724 CO 0.04 0.16 0.18 0.11 0.02 0.00 0.00 177.57 178.08 3hbl h LYS 725 N 0.30 0.36 -0.28 1.57 1.57 -1.36 -0.67 116.57 118.06 3hbl h LYS 725 Ca 0.09 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3hbl h LYS 725 Cb 0.13 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hbl h LYS 725 CO -0.01 0.24 0.17 1.25 -0.57 0.00 0.00 179.45 180.53 3hbl h LEU 726 N 0.37 0.34 -0.45 2.94 5.85 -1.36 0.04 115.31 123.05 3hbl h LEU 726 Ca 0.18 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3hbl h LEU 726 Cb 0.11 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3hbl h LEU 726 CO -0.14 0.30 0.13 0.00 -0.34 0.00 0.00 178.44 178.39 3hbl h ALA 727 N 1.06 0.52 -0.28 1.25 0.00 -0.81 -1.57 119.26 119.41 3hbl h ALA 727 Ca 0.10 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3hbl h ALA 727 Cb 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3hbl h ALA 727 CO -0.02 -0.27 -0.08 0.87 0.00 0.00 0.00 179.25 179.76 3hbl h LYS 728 N 0.28 0.46 -0.42 0.00 1.57 -0.91 -2.59 116.57 114.96 3hbl h LYS 728 Ca 0.21 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3hbl h LYS 728 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3hbl h LYS 728 CO -0.24 0.55 -0.13 1.49 -0.57 0.00 0.00 179.45 180.54 3hbl h GLU 729 N 0.43 0.77 0.02 3.15 4.81 -0.18 -2.64 114.58 120.95 3hbl h GLU 729 Ca 0.09 -0.27 -0.22 0.00 -0.13 0.00 0.00 59.36 58.83 3hbl h GLU 729 Cb 0.40 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3hbl h GLU 729 CO 0.02 0.87 -1.08 -0.07 -0.73 0.00 0.00 179.01 178.02 3hbl h LEU 730 N 0.69 0.06 -0.94 1.64 3.38 -1.20 -2.44 115.31 116.51 3hbl h LEU 730 Ca 0.11 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hbl h LEU 730 Cb 0.61 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3hbl h LEU 730 CO 0.04 1.05 0.31 -0.08 0.09 0.00 0.00 178.44 179.86 3hbl h GLU 731 N 0.01 1.08 0.00 1.13 4.81 -1.43 -1.79 114.58 118.39 3hbl h GLU 731 Ca -0.04 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 58.94 3hbl h GLU 731 Cb 1.81 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 3hbl h GLU 731 CO 0.14 0.86 -0.33 -0.09 -0.73 0.00 0.00 179.01 178.87 3hbl h ARG 732 N 1.06 0.00 0.00 1.92 2.43 -1.44 -2.80 114.38 115.55 3hbl h ARG 732 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 3hbl h ARG 732 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3hbl h ARG 732 CO -0.02 0.33 0.00 0.93 -1.51 0.00 0.00 179.97 179.69 3hbl h GLU 733 N 0.00 0.00 0.00 0.20 4.39 -0.83 -3.47 114.58 114.87 3hbl h GLU 733 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hbl h GLU 733 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 3hbl h GLU 733 CO 0.04 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 3hbl n GLY 734 N 0.47 0.61 3.66 -3.84 0.00 -0.98 -5.03 105.19 100.09 3hbl n GLY 734 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3hbl n GLY 734 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hbl n PHE 735 N -1.48 1.70 0.08 1.61 3.01 -1.17 -4.93 117.46 116.28 3hbl n PHE 735 Ca 0.00 0.51 -0.17 0.00 1.01 0.00 0.00 57.45 58.81 3hbl n PHE 735 Cb 0.00 -2.31 -0.14 0.00 -0.01 0.00 0.00 39.48 37.02 3hbl n PHE 735 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3hbl h HIS 736 N 1.74 0.48 -4.07 1.38 3.86 -0.85 -3.45 115.15 114.24 3hbl h HIS 736 Ca -0.47 -0.35 -0.41 0.00 -1.16 0.00 0.00 60.37 57.98 3hbl h HIS 736 Cb 1.32 -0.02 -0.29 0.00 1.06 0.00 0.00 27.41 29.48 3hbl h HIS 736 CO 0.45 1.35 -0.79 0.42 0.86 0.00 0.00 177.93 180.23 3hbl s ILE 737 N -2.63 0.80 -0.24 2.45 1.01 -1.10 -4.50 121.20 116.99 3hbl s ILE 737 Ca -0.07 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 3hbl s ILE 737 Cb 0.07 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.85 3hbl s ILE 737 CO 0.87 0.21 0.64 -0.22 0.00 0.00 0.00 174.94 176.44 3hbl s LEU 738 N -0.28 4.08 0.02 2.97 2.96 -0.80 -0.18 118.68 127.44 3hbl s LEU 738 Ca 0.04 0.75 0.06 0.00 -0.22 0.00 0.00 54.13 54.76 3hbl s LEU 738 Cb -0.04 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 3hbl s LEU 738 CO -0.00 -0.36 -0.15 0.00 -1.32 0.00 0.00 176.35 174.52 3hbl s ALA 739 N 2.40 2.70 -0.26 5.97 0.00 0.14 -0.58 121.76 132.14 3hbl s ALA 739 Ca 0.27 -1.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 3hbl s ALA 739 Cb -0.16 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.13 3hbl s ALA 739 CO 0.09 0.58 -0.06 0.42 0.00 0.00 0.00 175.76 176.79 3hbl s ILE 740 N -0.91 2.84 -0.48 0.00 1.01 -0.66 -0.74 121.20 122.26 3hbl s ILE 740 Ca 0.15 -1.12 -0.17 0.00 0.00 0.00 0.00 60.65 59.50 3hbl s ILE 740 Cb -0.11 -2.48 0.06 0.00 0.01 0.00 0.00 42.46 39.94 3hbl s ILE 740 CO 0.05 0.14 0.50 -0.75 0.00 0.00 0.00 174.94 174.88 3hbl s LYS 741 N 1.30 3.05 -1.12 2.79 2.20 -0.17 -0.36 119.74 127.42 3hbl s LYS 741 Ca -0.01 -1.09 -0.08 0.00 -0.36 0.00 0.00 55.97 54.43 3hbl s LYS 741 Cb -0.17 -4.10 0.27 0.00 -1.51 0.00 0.00 37.83 32.32 3hbl s LYS 741 CO -0.04 -1.09 1.29 -3.47 -0.36 0.00 0.00 175.35 171.68 3hbl n ASP 742 N 5.66 5.75 0.28 1.43 2.03 0.71 -1.27 116.55 131.14 3hbl n ASP 742 Ca -0.09 -3.15 0.17 0.00 0.52 0.00 0.00 54.79 52.23 3hbl n ASP 742 Cb 0.45 -1.37 0.80 0.00 -0.72 0.00 0.00 41.12 40.28 3hbl n ASP 742 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hbl h MET 743 N 6.29 0.00 -0.03 -0.67 -0.00 -1.83 -2.19 114.93 116.50 3hbl h MET 743 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.91 3hbl h MET 743 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 3hbl h MET 743 CO 1.16 0.06 0.00 0.00 -0.00 0.00 0.00 176.91 178.13 3hbl n ALA 744 N -2.16 2.47 -2.42 -3.00 0.00 -1.26 -1.96 120.51 112.18 3hbl n ALA 744 Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 3hbl n ALA 744 Cb 0.24 -0.59 0.01 0.00 0.00 0.00 0.00 19.45 19.11 3hbl n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 745 N 0.98 0.06 0.14 0.00 0.00 -0.83 -4.82 105.19 100.72 3hbl n GLY 745 Ca 0.10 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3hbl n GLY 745 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hbl h LEU 746 N -0.36 0.00 -7.98 0.99 3.38 -1.88 -3.43 115.31 106.02 3hbl h LEU 746 Ca -0.24 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.12 3hbl h LEU 746 Cb 1.17 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.84 3hbl h LEU 746 CO 0.27 0.02 1.71 -0.22 0.09 0.00 0.00 178.44 180.31 3hbl s LEU 747 N -5.26 3.56 0.86 1.67 2.96 -1.26 -4.91 118.68 116.30 3hbl s LEU 747 Ca 0.06 -1.91 -0.13 0.00 -0.22 0.00 0.00 54.13 51.93 3hbl s LEU 747 Cb 0.09 -2.58 0.05 0.00 0.50 0.00 0.00 46.19 44.25 3hbl s LEU 747 CO 0.68 -1.71 0.74 0.29 -1.32 0.00 0.00 176.35 175.03 3hbl n LYS 748 N 8.55 -0.06 -0.27 1.98 5.02 -1.26 -4.58 118.16 127.54 3hbl n LYS 748 Ca 0.43 0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.65 3hbl n LYS 748 Cb 0.47 -2.07 -0.09 0.00 -0.02 0.00 0.00 35.03 33.32 3hbl n LYS 748 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3hbl h PRO 749 N -1.17 -0.20 0.35 1.97 0.11 -1.87 0.48 132.00 131.67 3hbl h PRO 749 Ca -0.45 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hbl h PRO 749 Cb 1.30 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.43 3hbl h PRO 749 CO 0.40 -0.13 -0.38 -0.22 -0.21 0.00 0.00 178.00 177.46 3hbl h LYS 750 N -0.21 -0.73 -1.07 1.05 3.11 -1.94 -1.92 116.57 114.86 3hbl h LYS 750 Ca 0.13 0.05 0.30 0.00 -2.81 0.00 0.00 60.65 58.32 3hbl h LYS 750 Cb 0.52 0.17 -0.12 0.00 -1.00 0.00 0.00 32.23 31.79 3hbl h LYS 750 CO -0.76 -0.49 0.66 0.00 -2.81 0.00 0.00 179.45 176.05 3hbl h ALA 751 N -0.33 2.14 -0.26 5.00 0.00 -1.79 0.17 119.26 124.19 3hbl h ALA 751 Ca -0.02 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3hbl h ALA 751 Cb 0.69 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hbl h ALA 751 CO -0.08 -0.65 -0.54 0.00 0.00 0.00 0.00 179.25 177.98 3hbl h ALA 752 N 1.70 0.56 -0.45 0.00 0.00 -0.41 0.20 119.26 120.86 3hbl h ALA 752 Ca 0.68 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hbl h ALA 752 Cb 1.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 3hbl h ALA 752 CO -0.44 0.68 0.21 -0.92 0.00 0.00 0.00 179.25 178.79 3hbl h TYR 753 N 0.59 0.65 -0.24 0.00 3.20 0.04 -2.14 116.97 119.06 3hbl h TYR 753 Ca 0.02 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 3hbl h TYR 753 Cb 1.12 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 3hbl h TYR 753 CO 0.06 0.53 -0.14 0.93 -1.64 0.00 0.00 178.16 177.90 3hbl h GLU 754 N 0.58 0.52 0.33 1.82 5.08 -1.03 -2.28 114.58 119.60 3hbl h GLU 754 Ca 0.15 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3hbl h GLU 754 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hbl h GLU 754 CO -0.02 0.80 -0.16 1.25 -1.00 0.00 0.00 179.01 179.88 3hbl h LEU 755 N 0.23 -0.38 -0.16 1.33 5.85 -0.58 -2.84 115.31 118.75 3hbl h LEU 755 Ca 0.05 -0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 3hbl h LEU 755 Cb 0.65 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3hbl h LEU 755 CO 0.04 -0.18 -0.51 0.40 -0.34 0.00 0.00 178.44 177.85 3hbl h ILE 756 N -0.56 1.33 -0.63 4.05 2.04 -1.49 -0.55 117.51 121.70 3hbl h ILE 756 Ca -0.05 -1.76 0.11 0.00 1.00 0.00 0.00 64.86 64.16 3hbl h ILE 756 Cb 0.41 1.98 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 3hbl h ILE 756 CO 0.08 0.54 0.21 1.23 0.00 0.00 0.00 178.15 180.21 3hbl h GLY 757 N 0.31 0.87 1.20 5.37 0.00 -1.50 -0.56 103.07 108.76 3hbl h GLY 757 Ca -0.02 -0.10 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 3hbl h GLY 757 CO 0.11 -0.06 -0.88 0.83 0.00 0.00 0.00 176.54 176.54 3hbl h GLU 758 N 0.37 0.76 0.00 4.80 4.39 -1.45 -3.08 114.58 120.36 3hbl h GLU 758 Ca 0.33 -0.69 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3hbl h GLU 758 Cb 0.45 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3hbl h GLU 758 CO -0.35 1.28 0.00 1.28 -1.16 0.00 0.00 179.01 180.06 3hbl n LEU 759 N -3.90 0.57 -0.08 1.33 4.77 -0.22 -1.88 117.00 117.58 3hbl n LEU 759 Ca -0.09 0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 56.41 3hbl n LEU 759 Cb 0.80 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3hbl n LEU 759 CO 0.54 -0.58 0.49 0.11 -1.33 0.00 0.00 177.39 176.63 3hbl h LYS 760 N 0.00 0.76 0.00 3.23 1.79 -1.01 -2.97 116.57 118.37 3hbl h LYS 760 Ca 0.00 -0.45 -0.21 0.00 -2.18 0.00 0.00 60.65 57.81 3hbl h LYS 760 Cb 0.30 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 3hbl h LYS 760 CO 0.00 1.08 -1.14 0.66 -1.08 0.00 0.00 179.45 178.97 3hbl h SER 761 N 0.50 0.00 -0.14 0.86 4.64 -1.53 -3.37 113.55 114.52 3hbl h SER 761 Ca 0.03 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3hbl h SER 761 Cb 1.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3hbl h SER 761 CO 0.09 0.90 -0.18 0.00 -0.87 0.00 0.00 176.83 176.78 3hbl h ALA 762 N 1.10 0.21 -2.76 5.18 0.00 -1.45 -3.46 119.26 118.08 3hbl h ALA 762 Ca -0.09 -0.35 -0.46 0.00 0.00 0.00 0.00 54.91 54.01 3hbl h ALA 762 Cb 1.76 -0.04 -0.17 0.00 0.00 0.00 0.00 17.79 19.34 3hbl h ALA 762 CO 0.10 0.12 -0.76 0.14 0.00 0.00 0.00 179.25 178.85 3hbl s VAL 763 N -4.19 1.59 0.00 0.00 -7.23 -1.12 -4.90 120.40 104.55 3hbl s VAL 763 Ca -0.14 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 3hbl s VAL 763 Cb 0.05 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.23 3hbl s VAL 763 CO 0.76 -0.42 0.20 0.47 -0.31 0.00 0.00 175.10 175.80 3hbl n ASP 765 N 0.24 0.00 0.00 4.85 9.92 -1.26 -4.56 116.55 125.74 3hbl n ASP 765 Ca -0.13 0.46 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 3hbl n ASP 765 Cb 0.58 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 3hbl n ASP 765 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3hbl n LEU 766 N -1.52 0.00 -4.51 0.64 4.32 -1.26 -4.78 117.00 109.89 3hbl n LEU 766 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.64 3hbl n LEU 766 Cb 0.00 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 41.88 3hbl n LEU 766 CO 0.00 0.00 0.19 -2.65 -1.22 0.00 0.00 177.39 173.71 3hbl n PRO 767 N 0.00 0.26 -3.94 3.23 -0.02 -1.26 -4.53 135.00 128.74 3hbl n PRO 767 Ca 0.00 0.14 -0.35 0.00 -2.02 0.00 0.00 63.50 61.26 3hbl n PRO 767 Cb 0.00 -1.96 -0.12 0.00 -0.02 0.00 0.00 33.50 31.40 3hbl n PRO 767 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hbl s ILE 768 N -1.97 4.15 -0.34 4.25 1.01 -1.26 -1.90 121.20 125.14 3hbl s ILE 768 Ca 0.67 -0.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 3hbl s ILE 768 Cb -0.33 -2.90 0.07 0.00 0.01 0.00 0.00 42.46 39.31 3hbl s ILE 768 CO 0.57 0.40 0.08 -2.28 0.00 0.00 0.00 174.94 173.70 3hbl s HIS 769 N 1.19 3.37 -0.14 3.97 2.46 0.26 -1.59 115.29 124.81 3hbl s HIS 769 Ca 0.04 -1.99 -0.13 0.00 0.47 0.00 0.00 55.06 53.44 3hbl s HIS 769 Cb -0.14 -2.48 -0.05 0.00 -0.13 0.00 0.00 32.58 29.78 3hbl s HIS 769 CO 0.02 -0.85 0.28 -1.17 -2.47 0.00 0.00 174.74 170.56 3hbl s LEU 770 N 1.23 4.28 -0.13 8.88 2.96 0.13 -1.66 118.68 134.39 3hbl s LEU 770 Ca -0.00 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.48 3hbl s LEU 770 Cb -0.21 -2.36 0.01 0.00 0.50 0.00 0.00 46.19 44.14 3hbl s LEU 770 CO -0.02 0.16 -0.20 -2.28 -1.32 0.00 0.00 176.35 172.70 3hbl s HIS 771 N 0.13 2.42 0.05 5.38 5.65 0.51 -1.37 115.29 128.07 3hbl s HIS 771 Ca 0.17 -1.18 -0.02 0.00 0.25 0.00 0.00 55.06 54.28 3hbl s HIS 771 Cb -0.13 -1.67 -0.03 0.00 -1.18 0.00 0.00 32.58 29.56 3hbl s HIS 771 CO 0.05 -0.55 -0.00 -0.08 -0.65 0.00 0.00 174.74 173.50 3hbl s THR 772 N 0.83 0.20 -0.11 0.89 -1.32 -1.26 -0.21 115.64 114.66 3hbl s THR 772 Ca -0.08 -1.62 -0.01 0.00 -1.21 0.00 0.00 61.69 58.77 3hbl s THR 772 Cb -0.16 -1.34 -0.03 0.00 -1.51 0.00 0.00 72.50 69.47 3hbl s THR 772 CO -0.01 -0.89 -0.07 -1.00 -2.21 0.00 0.00 174.62 170.44 3hbl s HIS 773 N -3.58 2.95 -0.15 9.09 3.76 -1.20 -4.46 115.29 121.69 3hbl s HIS 773 Ca 0.04 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 54.77 3hbl s HIS 773 Cb 0.05 -1.82 0.14 0.00 1.11 0.00 0.00 32.58 32.06 3hbl s HIS 773 CO -0.09 0.12 1.15 -3.47 -0.85 0.00 0.00 174.74 171.60 3hbl n ASP 774 N 2.88 3.05 0.27 1.40 4.64 -0.17 -4.20 116.55 124.43 3hbl n ASP 774 Ca -0.18 -2.31 0.14 0.00 -1.38 0.00 0.00 54.79 51.06 3hbl n ASP 774 Cb 0.53 -0.57 0.78 0.00 -1.04 0.00 0.00 41.12 40.82 3hbl n ASP 774 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hbl h THR 775 N 0.25 0.50 0.00 5.18 1.03 -1.42 -1.41 112.91 117.04 3hbl h THR 775 Ca 0.12 -0.43 -0.17 0.00 -0.01 0.00 0.00 66.41 65.92 3hbl h THR 775 Cb 1.33 1.29 -0.03 0.00 -1.07 0.00 0.00 68.15 69.67 3hbl h THR 775 CO 0.21 0.09 -0.94 0.77 -0.01 0.00 0.00 175.52 175.64 3hbl h SER 776 N 0.00 0.00 0.00 0.00 4.64 -1.77 -0.59 113.55 115.83 3hbl h SER 776 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hbl h SER 776 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3hbl h SER 776 CO 0.01 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3hbl n GLY 777 N 1.33 0.69 1.20 -0.77 0.00 -0.53 -4.08 105.19 103.03 3hbl n GLY 777 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 3hbl n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hbl n ASN 778 N 0.00 4.32 0.12 1.61 5.03 -1.26 -4.79 115.26 120.30 3hbl n ASN 778 Ca 0.00 -2.76 -0.13 0.00 0.87 0.00 0.00 54.58 52.56 3hbl n ASN 778 Cb 0.00 -0.54 -0.08 0.00 -1.02 0.00 0.00 39.78 38.14 3hbl n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3hbl h GLY 779 N 2.72 -0.32 0.65 7.41 0.00 -1.87 -0.82 103.07 110.85 3hbl h GLY 779 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.51 3hbl h GLY 779 CO 0.25 -0.12 0.29 1.41 0.00 0.00 0.00 176.54 178.37 3hbl h LEU 780 N -0.61 0.40 -0.40 3.11 3.38 -1.97 -0.31 115.31 118.91 3hbl h LEU 780 Ca -0.03 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3hbl h LEU 780 Cb 0.44 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3hbl h LEU 780 CO 0.05 0.26 0.14 0.25 0.09 0.00 0.00 178.44 179.23 3hbl h LEU 781 N 0.54 0.14 -0.75 1.67 6.46 -1.89 0.18 115.31 121.66 3hbl h LEU 781 Ca 0.26 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 58.16 3hbl h LEU 781 Cb 0.19 0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.08 3hbl h LEU 781 CO -0.19 0.12 0.40 0.74 -0.62 0.00 0.00 178.44 178.89 3hbl h THR 782 N 0.29 0.89 -0.31 1.05 2.02 -0.04 -1.34 112.91 115.48 3hbl h THR 782 Ca 0.18 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.07 3hbl h THR 782 Cb 0.17 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3hbl h THR 782 CO -0.19 0.13 -0.03 1.88 0.37 0.00 0.00 175.52 177.67 3hbl h TYR 783 N 0.69 0.63 -0.55 3.16 0.99 -0.34 -1.31 116.97 120.24 3hbl h TYR 783 Ca 0.36 -0.12 0.11 0.00 2.00 0.00 0.00 58.73 61.08 3hbl h TYR 783 Cb 0.34 -0.16 -0.09 0.00 1.00 0.00 0.00 36.73 37.82 3hbl h TYR 783 CO -0.09 0.73 -0.01 -0.22 -0.00 0.00 0.00 178.16 178.57 3hbl h LYS 784 N 0.36 0.10 -0.58 4.88 3.11 -0.07 -0.01 116.57 124.36 3hbl h LYS 784 Ca 0.08 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 57.88 3hbl h LYS 784 Cb 0.50 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.68 3hbl h LYS 784 CO 0.02 0.07 0.21 1.96 -2.81 0.00 0.00 179.45 178.90 3hbl h GLN 785 N 0.11 0.89 -0.45 1.90 1.08 -1.16 -2.24 115.11 115.23 3hbl h GLN 785 Ca 0.28 -0.18 0.04 0.00 -1.45 0.00 0.00 58.65 57.35 3hbl h GLN 785 Cb 0.44 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 3hbl h GLN 785 CO -0.47 0.78 0.21 0.00 -0.95 0.00 0.00 178.83 178.40 3hbl h ALA 786 N 1.07 0.56 -0.66 3.87 0.00 -0.18 -0.99 119.26 122.93 3hbl h ALA 786 Ca 0.19 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hbl h ALA 786 Cb 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hbl h ALA 786 CO -0.01 -0.16 0.40 0.82 0.00 0.00 0.00 179.25 180.30 3hbl h ILE 787 N 0.41 1.19 0.00 0.00 2.04 -0.90 -1.39 117.51 118.86 3hbl h ILE 787 Ca 0.20 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 3hbl h ILE 787 Cb 0.14 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3hbl h ILE 787 CO -0.16 0.19 -0.10 0.44 0.00 0.00 0.00 178.15 178.52 3hbl h ASP 788 N 0.89 0.00 -0.02 1.72 3.45 -0.91 -1.96 116.42 119.59 3hbl h ASP 788 Ca 0.24 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.70 3hbl h ASP 788 Cb -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.74 3hbl h ASP 788 CO -0.04 0.10 0.00 0.00 -1.57 0.00 0.00 179.24 177.72 3hbl n ALA 789 N -2.50 2.60 -0.15 3.45 0.00 -0.42 -4.93 120.51 118.57 3hbl n ALA 789 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.03 3hbl n ALA 789 Cb 0.17 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3hbl n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbl n GLY 790 N 1.12 0.92 3.74 0.00 0.00 -0.74 -3.87 105.19 106.36 3hbl n GLY 790 Ca 0.20 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3hbl n GLY 790 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hbl n VAL 791 N -2.15 1.44 -0.02 1.61 3.14 -0.67 -4.91 118.33 116.78 3hbl n VAL 791 Ca 0.00 -0.36 -0.17 0.00 -2.96 0.00 0.00 64.34 60.85 3hbl n VAL 791 Cb 0.00 -1.85 -0.14 0.00 -1.06 0.00 0.00 33.84 30.79 3hbl n VAL 791 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3hbl h ASP 792 N 3.85 0.20 -3.96 6.55 3.32 -1.77 -3.45 116.42 121.16 3hbl h ASP 792 Ca -0.48 -0.95 -0.31 0.00 0.02 0.00 0.00 57.03 55.31 3hbl h ASP 792 Cb 1.24 -0.06 -0.28 0.00 0.22 0.00 0.00 39.33 40.45 3hbl h ASP 792 CO 0.72 1.21 -0.75 -0.63 -1.72 0.00 0.00 179.24 178.07 3hbl s ILE 793 N -2.32 0.38 0.13 0.35 1.01 -0.62 -1.97 121.20 118.17 3hbl s ILE 793 Ca -0.18 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.28 3hbl s ILE 793 Cb -0.01 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 3hbl s ILE 793 CO 0.74 0.07 -0.17 0.27 0.00 0.00 0.00 174.94 175.85 3hbl s ILE 794 N -0.21 1.59 -0.32 2.92 -4.36 -0.97 0.22 121.20 120.08 3hbl s ILE 794 Ca 0.01 -1.75 -0.16 0.00 -0.26 0.00 0.00 60.65 58.49 3hbl s ILE 794 Cb -0.02 -1.65 -0.02 0.00 1.25 0.00 0.00 42.46 42.02 3hbl s ILE 794 CO -0.00 -0.31 0.40 -1.81 0.24 0.00 0.00 174.94 173.46 3hbl s ASP 795 N -2.42 6.24 0.46 4.36 1.11 -0.47 -0.36 116.67 125.58 3hbl s ASP 795 Ca 0.11 0.01 0.04 0.00 0.18 0.00 0.00 52.55 52.89 3hbl s ASP 795 Cb -0.06 -2.22 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 3hbl s ASP 795 CO 0.05 -0.31 0.05 0.42 1.18 0.00 0.00 175.17 176.56 3hbl s THR 796 N 2.12 1.65 0.04 -1.27 -4.23 0.75 -4.62 115.64 110.07 3hbl s THR 796 Ca 0.14 -1.93 -0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3hbl s THR 796 Cb -0.16 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 3hbl s THR 796 CO 0.11 0.00 -0.03 0.00 -0.54 0.00 0.00 174.62 174.16 3hbl s ALA 797 N -2.77 0.32 0.43 3.99 0.00 -1.11 -1.88 121.76 120.74 3hbl s ALA 797 Ca 0.23 -0.85 -0.26 0.00 0.00 0.00 0.00 51.96 51.08 3hbl s ALA 797 Cb 0.05 0.18 -0.09 0.00 0.00 0.00 0.00 23.12 23.27 3hbl s ALA 797 CO 0.12 -0.23 1.41 0.14 0.00 0.00 0.00 175.76 177.20 3hbl s VAL 798 N -2.40 2.20 0.25 0.00 -7.23 -1.26 -0.79 120.40 111.18 3hbl s VAL 798 Ca -0.06 0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 60.17 3hbl s VAL 798 Cb -0.03 -3.11 0.36 0.00 0.56 0.00 0.00 36.38 34.15 3hbl s VAL 798 CO -0.04 0.03 1.57 0.00 -0.31 0.00 0.00 175.10 176.34 3hbl h ALA 799 N 2.52 0.45 0.00 1.32 0.00 -1.93 0.89 119.26 122.51 3hbl h ALA 799 Ca -0.51 0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hbl h ALA 799 Cb 1.26 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3hbl h ALA 799 CO 0.62 -0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 3hbl n SER 800 N -5.55 0.00 -0.15 0.00 3.41 -1.26 -1.40 113.62 108.67 3hbl n SER 800 Ca 0.13 0.33 0.06 0.00 -0.26 0.00 0.00 58.87 59.12 3hbl n SER 800 Cb 0.45 -0.42 0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3hbl n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hbl n MET 801 N -1.42 2.15 -4.03 4.33 2.00 0.24 -4.75 117.12 115.64 3hbl n MET 801 Ca 0.06 -2.17 -0.28 0.00 0.00 0.00 0.00 57.70 55.31 3hbl n MET 801 Cb 0.17 -1.33 -0.01 0.00 0.00 0.00 0.00 33.22 32.05 3hbl n MET 801 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hbl s SER 802 N -1.99 4.54 0.00 7.83 1.04 -0.49 -4.66 113.70 119.97 3hbl s SER 802 Ca 0.20 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.28 3hbl s SER 802 Cb 0.17 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.85 3hbl s SER 802 CO 0.03 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3hbl n GLY 803 N -1.73 0.25 6.62 7.32 0.00 -0.32 -4.87 105.19 112.46 3hbl n GLY 803 Ca -0.05 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3hbl n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 804 N -0.80 0.00 0.00 0.99 4.77 -1.24 -0.93 117.00 119.80 3hbl n LEU 804 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 3hbl n LEU 804 Cb 0.00 0.00 0.36 0.00 -2.33 0.00 0.00 43.42 41.45 3hbl n LEU 804 CO 0.00 0.00 0.69 0.35 -1.33 0.00 0.00 177.39 177.10 3hbl n THR 805 N 0.00 0.61 -1.07 -5.08 -2.24 -1.26 -1.25 114.28 103.99 3hbl n THR 805 Ca 0.00 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 3hbl n THR 805 Cb 0.00 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 3hbl n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3hbl n SER 806 N -1.29 0.00 -4.89 3.42 2.88 -0.10 -4.64 113.62 108.99 3hbl n SER 806 Ca 0.07 -0.01 -0.29 0.00 -1.33 0.00 0.00 58.87 57.31 3hbl n SER 806 Cb 0.12 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.56 3hbl n SER 806 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3hbl s GLN 807 N 1.56 3.66 0.88 -1.46 -1.52 -1.26 -1.00 119.66 120.51 3hbl s GLN 807 Ca 0.00 0.32 -0.12 0.00 -1.95 0.00 0.00 55.36 53.61 3hbl s GLN 807 Cb 0.00 -2.40 0.10 0.00 -0.22 0.00 0.00 33.01 30.49 3hbl s GLN 807 CO 0.00 -0.10 1.04 -0.35 -0.25 0.00 0.00 175.29 175.63 3hbl n PRO 808 N -1.72 -0.18 -2.32 2.91 -0.04 -1.26 -1.17 135.00 131.22 3hbl n PRO 808 Ca 0.01 0.02 -0.43 0.00 -0.04 0.00 0.00 63.50 63.06 3hbl n PRO 808 Cb 0.54 -2.31 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 3hbl n PRO 808 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hbl s SER 809 N -2.32 6.66 0.20 3.54 0.15 -1.26 -2.75 113.70 117.93 3hbl s SER 809 Ca 0.68 1.48 -0.10 0.00 0.70 0.00 0.00 55.95 58.71 3hbl s SER 809 Cb -0.25 -2.54 0.20 0.00 -1.71 0.00 0.00 66.02 61.72 3hbl s SER 809 CO 0.57 -1.04 1.81 0.00 1.20 0.00 0.00 173.24 175.78 3hbl h ALA 810 N 9.41 0.84 -0.19 5.45 0.00 -1.29 -0.78 119.26 132.70 3hbl h ALA 810 Ca -0.29 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3hbl h ALA 810 Cb 1.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3hbl h ALA 810 CO 1.01 0.05 0.07 -0.91 0.00 0.00 0.00 179.25 179.46 3hbl h ASN 811 N 0.68 0.08 -0.39 0.00 -0.26 -1.91 -1.99 115.58 111.79 3hbl h ASN 811 Ca 0.28 0.02 -0.05 0.00 -0.56 0.00 0.00 56.30 55.98 3hbl h ASN 811 Cb 0.14 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 3hbl h ASN 811 CO -0.16 0.07 0.04 0.28 -1.06 0.00 0.00 177.43 176.60 3hbl h SER 812 N 0.16 0.64 -0.56 5.81 0.02 -1.87 -3.04 113.55 114.72 3hbl h SER 812 Ca 0.08 -0.28 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3hbl h SER 812 Cb 0.05 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.37 3hbl h SER 812 CO -0.08 0.76 0.30 0.25 -1.14 0.00 0.00 176.83 176.92 3hbl h LEU 813 N 0.50 0.44 -0.61 5.07 5.85 -1.09 0.18 115.31 125.66 3hbl h LEU 813 Ca 0.12 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.97 3hbl h LEU 813 Cb 0.41 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.26 3hbl h LEU 813 CO 0.01 0.30 -0.27 0.22 -0.34 0.00 0.00 178.44 178.37 3hbl h TYR 814 N 0.58 -0.69 0.00 1.25 3.20 -1.24 -0.17 116.97 119.89 3hbl h TYR 814 Ca 0.24 0.07 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 3hbl h TYR 814 Cb 0.13 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3hbl h TYR 814 CO -0.09 -0.35 -0.20 1.88 -1.64 0.00 0.00 178.16 177.76 3hbl h TYR 815 N -0.11 0.00 -0.69 -3.82 -1.99 -1.52 -3.17 116.97 105.68 3hbl h TYR 815 Ca 0.26 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.95 3hbl h TYR 815 Cb 0.53 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.23 3hbl h TYR 815 CO -0.59 0.20 0.24 0.00 -0.00 0.00 0.00 178.16 178.01 3hbl h ALA 816 N 1.80 1.14 0.00 3.88 0.00 0.58 -2.85 119.26 123.80 3hbl h ALA 816 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hbl h ALA 816 Cb 1.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hbl h ALA 816 CO 0.03 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.16 3hbl n LEU 817 N -4.28 0.16 -4.66 0.00 4.77 -0.23 -4.84 117.00 107.92 3hbl n LEU 817 Ca 0.06 0.52 -0.56 0.00 -0.03 0.00 0.00 56.01 56.00 3hbl n LEU 817 Cb 0.20 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.74 3hbl n LEU 817 CO 0.40 -0.12 1.11 0.59 -1.33 0.00 0.00 177.39 178.05 3hbl n ASN 818 N -1.66 1.89 0.00 -1.43 5.03 -1.08 -1.11 115.26 116.90 3hbl n ASN 818 Ca 0.06 1.10 0.00 0.00 0.87 0.00 0.00 54.58 56.61 3hbl n ASN 818 Cb 0.31 -1.13 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 3hbl n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 819 N 3.41 1.97 3.96 7.41 0.00 -1.26 -5.08 105.19 115.61 3hbl n GLY 819 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 3hbl n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 820 N -2.52 3.46 0.26 1.61 0.40 -0.27 -5.02 117.98 115.90 3hbl s PHE 820 Ca 0.00 0.04 0.36 0.00 -0.60 0.00 0.00 56.93 56.73 3hbl s PHE 820 Cb 0.00 -1.62 1.63 0.00 0.51 0.00 0.00 43.02 43.54 3hbl s PHE 820 CO 0.00 0.40 2.08 -1.00 0.70 0.00 0.00 175.22 177.40 3hbl h PRO 821 N 1.17 0.00 -5.28 0.24 0.13 -1.98 -3.41 132.00 122.87 3hbl h PRO 821 Ca -0.51 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 3hbl h PRO 821 Cb 1.23 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.05 3hbl h PRO 821 CO 0.61 0.01 -0.82 1.03 -0.23 0.00 0.00 178.00 178.60 3hbl s ARG 822 N -3.81 3.20 0.16 0.86 0.52 -1.26 -5.04 118.95 113.57 3hbl s ARG 822 Ca -0.01 -0.78 0.06 0.00 -0.52 0.00 0.00 55.73 54.48 3hbl s ARG 822 Cb 0.10 -2.50 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 3hbl s ARG 822 CO 0.51 0.13 0.07 -1.01 0.02 0.00 0.00 175.30 175.03 3hbl s HIS 823 N 0.51 3.03 0.72 -0.53 3.76 -1.26 -4.93 115.29 116.59 3hbl s HIS 823 Ca -0.12 -0.05 -0.14 0.00 -0.15 0.00 0.00 55.06 54.60 3hbl s HIS 823 Cb -0.16 -1.47 0.03 0.00 1.11 0.00 0.00 32.58 32.09 3hbl s HIS 823 CO 0.05 0.52 1.13 -0.51 -0.85 0.00 0.00 174.74 175.07 3hbl s LEU 824 N -2.94 3.25 -0.66 0.89 1.43 -1.26 -2.24 118.68 117.15 3hbl s LEU 824 Ca 0.29 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.46 3hbl s LEU 824 Cb -0.10 -4.56 0.17 0.00 0.03 0.00 0.00 46.19 41.73 3hbl s LEU 824 CO 0.21 -2.01 0.47 -0.60 0.23 0.00 0.00 176.35 174.65 3hbl s ARG 825 N -4.27 2.54 0.14 1.70 3.52 -0.99 -4.85 118.95 116.75 3hbl s ARG 825 Ca 0.67 -2.81 -0.24 0.00 -0.13 0.00 0.00 55.73 53.23 3hbl s ARG 825 Cb -0.22 -3.63 0.07 0.00 -1.56 0.00 0.00 34.95 29.61 3hbl s ARG 825 CO 0.47 -1.19 0.68 0.99 -0.81 0.00 0.00 175.30 175.44 3hbl s THR 826 N -0.55 0.00 -0.09 4.11 2.01 -1.26 -4.42 115.64 115.44 3hbl s THR 826 Ca 0.20 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.77 3hbl s THR 826 Cb -0.17 -1.14 -0.03 0.00 0.01 0.00 0.00 72.50 71.16 3hbl s THR 826 CO -0.06 0.00 1.36 -1.81 -0.69 0.00 0.00 174.62 173.42 3hbl s ASP 827 N -2.72 6.88 -0.02 3.53 1.01 -1.24 -4.94 116.67 119.18 3hbl s ASP 827 Ca 0.03 1.91 -0.25 0.00 0.71 0.00 0.00 52.55 54.96 3hbl s ASP 827 Cb -0.02 -2.55 -0.19 0.00 1.01 0.00 0.00 42.92 41.18 3hbl s ASP 827 CO -0.10 -0.76 1.21 0.40 0.21 0.00 0.00 175.17 176.14 3hbl h ILE 828 N 5.30 1.15 -0.91 0.77 2.04 -1.99 -2.87 117.51 121.00 3hbl h ILE 828 Ca -0.33 -1.01 0.17 0.00 1.00 0.00 0.00 64.86 64.70 3hbl h ILE 828 Cb 1.14 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.93 3hbl h ILE 828 CO 0.94 0.24 0.59 -0.08 0.00 0.00 0.00 178.15 179.84 3hbl h GLU 829 N -0.59 0.59 0.03 2.37 4.81 -2.00 0.24 114.58 120.03 3hbl h GLU 829 Ca -0.01 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 58.96 3hbl h GLU 829 Cb 0.49 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3hbl h GLU 829 CO 0.02 0.39 -0.98 0.78 -0.73 0.00 0.00 179.01 178.49 3hbl h GLY 830 N 0.61 0.21 0.53 1.92 0.00 -1.95 -2.64 103.07 101.76 3hbl h GLY 830 Ca 0.47 -0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.45 3hbl h GLY 830 CO -0.22 0.38 0.27 -0.33 0.00 0.00 0.00 176.54 176.64 3hbl h MET 831 N 0.09 0.48 -0.36 4.80 2.86 -0.33 0.24 114.93 122.71 3hbl h MET 831 Ca -0.06 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3hbl h MET 831 Cb 1.65 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 33.19 3hbl h MET 831 CO 0.15 0.32 0.11 0.93 1.06 0.00 0.00 176.91 179.48 3hbl h GLU 832 N 0.50 0.57 -0.56 1.72 4.39 -1.27 0.92 114.58 120.85 3hbl h GLU 832 Ca 0.29 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.81 3hbl h GLU 832 Cb 0.28 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3hbl h GLU 832 CO -0.24 0.59 0.12 1.03 -1.16 0.00 0.00 179.01 179.35 3hbl h SER 833 N 0.43 0.81 0.36 1.42 0.87 -1.05 -0.42 113.55 115.96 3hbl h SER 833 Ca 0.12 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.36 3hbl h SER 833 Cb 0.26 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3hbl h SER 833 CO -0.00 0.80 -0.66 -0.07 -0.53 0.00 0.00 176.83 176.36 3hbl h LEU 834 N 0.83 0.33 -0.25 2.23 3.38 -0.41 -2.21 115.31 119.21 3hbl h LEU 834 Ca 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hbl h LEU 834 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hbl h LEU 834 CO 0.00 0.90 0.16 -1.28 0.09 0.00 0.00 178.44 178.30 3hbl h SER 835 N 0.20 0.29 -0.56 -0.43 0.87 -0.17 -0.54 113.55 113.22 3hbl h SER 835 Ca -0.02 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3hbl h SER 835 Cb 1.20 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 3hbl h SER 835 CO 0.11 0.24 0.14 0.45 -0.53 0.00 0.00 176.83 177.24 3hbl h HIS 836 N 0.32 0.94 0.48 2.24 3.86 -1.06 0.45 115.15 122.38 3hbl h HIS 836 Ca 0.09 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3hbl h HIS 836 Cb -0.00 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.18 3hbl h HIS 836 CO -0.05 0.81 -0.42 -0.92 0.86 0.00 0.00 177.93 178.21 3hbl h TYR 837 N 0.79 -1.13 -0.15 2.45 3.20 -1.26 -2.80 116.97 118.08 3hbl h TYR 837 Ca 0.18 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 3hbl h TYR 837 Cb 0.34 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3hbl h TYR 837 CO 0.02 -0.58 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.29 3hbl h TRP 838 N -0.89 0.27 -0.30 -3.82 4.06 -0.93 -1.87 115.95 112.46 3hbl h TRP 838 Ca -0.05 -0.04 0.05 0.00 2.06 0.00 0.00 58.89 60.91 3hbl h TRP 838 Cb 0.77 -0.07 -0.08 0.00 -1.00 0.00 0.00 29.16 28.78 3hbl h TRP 838 CO -0.19 0.42 -0.52 1.03 -3.56 0.00 0.00 178.44 175.62 3hbl h SER 839 N 0.23 -1.70 -0.44 -3.49 0.87 -0.73 0.57 113.55 108.88 3hbl h SER 839 Ca 0.04 0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.80 3hbl h SER 839 Cb 0.45 0.69 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 3hbl h SER 839 CO 0.03 -0.43 0.18 0.74 -0.53 0.00 0.00 176.83 176.82 3hbl h THR 840 N -0.45 1.20 -0.37 2.23 2.02 -1.20 -2.97 112.91 113.36 3hbl h THR 840 Ca 0.07 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.58 3hbl h THR 840 Cb 0.63 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3hbl h THR 840 CO -0.53 0.22 -0.03 0.58 0.37 0.00 0.00 175.52 176.14 3hbl h VAL 841 N 0.56 1.22 -0.89 3.16 2.07 -0.94 -2.38 116.25 119.06 3hbl h VAL 841 Ca 0.15 -0.91 0.13 0.00 0.82 0.00 0.00 66.70 66.89 3hbl h VAL 841 Cb 0.18 0.97 -0.07 0.00 -1.52 0.00 0.00 31.29 30.85 3hbl h VAL 841 CO -0.01 0.31 0.57 -0.09 0.02 0.00 0.00 177.57 178.37 3hbl h ARG 842 N 0.57 0.72 -0.87 1.57 2.43 0.31 -2.26 114.38 116.85 3hbl h ARG 842 Ca 0.11 -0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.35 3hbl h ARG 842 Cb 0.41 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3hbl h ARG 842 CO 0.02 0.48 0.56 1.15 -1.51 0.00 0.00 179.97 180.67 3hbl h THR 843 N 0.74 0.93 -0.04 0.20 2.02 -1.42 -0.80 112.91 114.54 3hbl h THR 843 Ca 0.44 -0.28 0.01 0.00 0.77 0.00 0.00 66.41 67.36 3hbl h THR 843 Cb 0.64 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3hbl h THR 843 CO -0.20 0.15 0.30 1.88 0.37 0.00 0.00 175.52 178.02 3hbl h TYR 844 N 0.81 0.00 -0.26 3.16 0.99 -1.53 -1.61 116.97 118.54 3hbl h TYR 844 Ca 0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.14 3hbl h TYR 844 Cb 0.48 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.21 3hbl h TYR 844 CO -0.00 0.00 0.00 0.66 -0.00 0.00 0.00 178.16 178.82 3hbl n TYR 845 N -3.02 0.34 -0.37 4.88 4.02 -0.31 -4.74 117.16 117.96 3hbl n TYR 845 Ca -0.01 -0.41 0.33 0.00 -0.01 0.00 0.00 57.90 57.80 3hbl n TYR 845 Cb 0.36 -0.02 0.58 0.00 -0.02 0.00 0.00 39.34 40.24 3hbl n TYR 845 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3hbl n SER 846 N 0.44 0.24 0.23 7.72 3.41 -0.61 0.15 113.62 125.20 3hbl n SER 846 Ca 0.10 1.34 0.16 0.00 -0.26 0.00 0.00 58.87 60.20 3hbl n SER 846 Cb 0.38 -0.66 0.76 0.00 -0.26 0.00 0.00 64.21 64.43 3hbl n SER 846 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hbl h ASP 847 N 0.00 0.00 -0.22 4.04 3.32 -1.85 -2.55 116.42 119.15 3hbl h ASP 847 Ca 0.78 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.83 3hbl h ASP 847 Cb 2.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.90 3hbl h ASP 847 CO -0.52 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 177.49 3hbl n PHE 848 N -2.64 0.28 -1.72 4.55 3.01 0.40 -4.97 117.46 116.37 3hbl n PHE 848 Ca -0.01 -0.23 -0.43 0.00 1.01 0.00 0.00 57.45 57.79 3hbl n PHE 848 Cb 0.14 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.59 3hbl n PHE 848 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3hbl n GLU 849 N 0.83 2.39 -1.56 -1.08 -0.58 -0.96 -3.90 120.64 115.77 3hbl n GLU 849 Ca 0.12 0.85 -0.36 0.00 -0.42 0.00 0.00 57.16 57.34 3hbl n GLU 849 Cb 0.42 -2.54 0.09 0.00 -0.57 0.00 0.00 31.44 28.83 3hbl n GLU 849 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3hbl n SER 852 N 1.60 1.81 0.07 1.62 2.88 0.06 -4.94 113.62 116.73 3hbl n SER 852 Ca 0.07 0.77 0.12 0.00 -1.33 0.00 0.00 58.87 58.50 3hbl n SER 852 Cb 0.35 -1.55 0.47 0.00 -0.75 0.00 0.00 64.21 62.73 3hbl n SER 852 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 3hbl n ASP 853 N -2.28 0.50 -4.64 -3.46 2.03 -1.26 -4.81 116.55 102.63 3hbl n ASP 853 Ca 0.15 0.57 -0.43 0.00 0.52 0.00 0.00 54.79 55.60 3hbl n ASP 853 Cb 0.49 -0.69 -0.02 0.00 -0.72 0.00 0.00 41.12 40.17 3hbl n ASP 853 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hbl s ILE 854 N -3.11 4.09 -0.17 5.18 1.09 -1.26 -4.89 121.20 122.14 3hbl s ILE 854 Ca 0.10 1.27 0.13 0.00 -1.10 0.00 0.00 60.65 61.04 3hbl s ILE 854 Cb 0.13 -3.99 -0.23 0.00 -1.06 0.00 0.00 42.46 37.30 3hbl s ILE 854 CO 0.50 -0.31 0.19 2.29 -0.10 0.00 0.00 174.94 177.52 3hbl n LYS 855 N 7.11 0.67 -4.16 2.79 2.85 -1.26 -5.01 118.16 121.15 3hbl n LYS 855 Ca 0.15 0.11 -0.11 0.00 -1.05 0.00 0.00 58.31 57.40 3hbl n LYS 855 Cb 0.46 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 33.15 3hbl n LYS 855 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3hbl s SER 856 N -5.88 0.11 0.80 -5.58 1.04 -1.26 -5.10 113.70 97.82 3hbl s SER 856 Ca -0.13 -1.30 -0.13 0.00 0.48 0.00 0.00 55.95 54.87 3hbl s SER 856 Cb 0.07 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.68 3hbl s SER 856 CO 0.79 -0.89 1.18 -2.16 0.98 0.00 0.00 173.24 173.15 3hbl s PRO 857 N -4.13 1.76 -0.04 4.02 0.04 -1.26 -5.02 135.00 130.37 3hbl s PRO 857 Ca 0.35 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 3hbl s PRO 857 Cb 0.06 -1.80 0.03 0.00 0.04 0.00 0.00 34.50 32.83 3hbl s PRO 857 CO 0.11 -2.10 0.03 1.21 0.04 0.00 0.00 177.00 176.28 3hbl s ASN 858 N -2.32 0.88 0.00 6.66 3.04 -0.23 -5.00 114.94 117.97 3hbl s ASN 858 Ca 0.71 0.01 0.14 0.00 0.04 0.00 0.00 52.86 53.76 3hbl s ASN 858 Cb -0.26 -0.22 0.13 0.00 -1.54 0.00 0.00 41.25 39.35 3hbl s ASN 858 CO 0.50 -0.18 0.96 0.35 -3.04 0.00 0.00 177.10 175.70 3hbl n THR 859 N 4.77 0.06 0.27 -5.21 -2.24 -1.26 -3.87 114.28 106.80 3hbl n THR 859 Ca -0.14 -0.53 0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3hbl n THR 859 Cb 0.50 1.24 0.78 0.00 -2.10 0.00 0.00 70.33 70.75 3hbl n THR 859 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3hbl h GLU 860 N 2.69 0.00 -0.36 -0.78 4.39 -1.97 -2.20 114.58 116.36 3hbl h GLU 860 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 3hbl h GLU 860 Cb 0.59 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 3hbl h GLU 860 CO 0.00 0.08 0.24 -0.84 -1.16 0.00 0.00 179.01 177.33 3hbl h ILE 861 N 0.00 1.01 0.00 3.13 3.07 -1.95 -1.31 117.51 121.46 3hbl h ILE 861 Ca -0.00 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.29 3hbl h ILE 861 Cb 0.21 0.62 0.00 0.00 -0.27 0.00 0.00 36.82 37.38 3hbl h ILE 861 CO 0.01 0.06 0.00 -1.22 -1.05 0.00 0.00 178.15 175.95 3hbl n TYR 862 N -4.48 0.00 0.00 0.16 0.53 -0.83 -1.15 117.16 111.38 3hbl n TYR 862 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 3hbl n TYR 862 Cb 0.17 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.48 3hbl n TYR 862 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3hbl n GLN 863 N -0.88 1.11 -0.02 -0.72 0.00 -0.69 -4.92 117.38 111.26 3hbl n GLN 863 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 57.00 57.06 3hbl n GLN 863 Cb 0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 30.24 29.44 3hbl n GLN 863 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 3hbl n HIS 864 N -1.33 0.41 -1.89 2.61 1.44 -0.58 -4.86 115.22 111.02 3hbl n HIS 864 Ca 0.00 0.14 -0.09 0.00 -2.01 0.00 0.00 57.72 55.75 3hbl n HIS 864 Cb 0.20 -0.92 -0.02 0.00 0.12 0.00 0.00 29.99 29.38 3hbl n HIS 864 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3hbl n GLU 865 N -2.69 -0.70 -2.09 -1.40 1.02 -0.30 -4.58 120.64 109.90 3hbl n GLU 865 Ca -0.16 0.57 -0.43 0.00 -0.02 0.00 0.00 57.16 57.11 3hbl n GLU 865 Cb 0.89 -4.54 -0.03 0.00 -0.02 0.00 0.00 31.44 27.74 3hbl n GLU 865 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3hbl s MET 866 N -3.93 4.00 0.80 3.49 -1.94 -1.26 -4.89 119.30 115.57 3hbl s MET 866 Ca 0.00 1.90 -0.11 0.00 -1.71 0.00 0.00 55.69 55.77 3hbl s MET 866 Cb 0.00 -3.99 0.08 0.00 2.01 0.00 0.00 34.83 32.92 3hbl s MET 866 CO 0.00 -1.05 1.11 -1.25 -0.01 0.00 0.00 175.02 173.82 3hbl s PRO 867 N 4.31 1.96 0.00 2.03 0.04 -1.26 -4.68 135.00 137.39 3hbl s PRO 867 Ca 0.71 1.33 0.00 0.00 0.04 0.00 0.00 61.00 63.08 3hbl s PRO 867 Cb -0.28 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3hbl s PRO 867 CO 0.28 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 175.84 3hbl n GLY 868 N -0.66 2.07 1.82 0.56 0.00 -0.83 -1.01 105.19 107.14 3hbl n GLY 868 Ca 0.10 -0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3hbl n GLY 868 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hbl n GLY 869 N 0.00 3.00 0.30 -0.02 0.00 -1.26 -4.54 105.19 102.67 3hbl n GLY 869 Ca 0.00 -0.86 0.16 0.00 0.00 0.00 0.00 46.02 45.32 3hbl n GLY 869 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hbl h GLN 870 N 3.42 0.00 0.00 1.61 4.15 -1.35 -0.50 115.11 122.44 3hbl h GLN 870 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3hbl h GLN 870 Cb 1.94 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.63 3hbl h GLN 870 CO 0.51 0.00 0.00 2.48 -1.93 0.00 0.00 178.83 179.89 3hbl n TYR 871 N -3.78 0.57 -0.07 3.99 0.18 -1.26 -1.54 117.16 115.25 3hbl n TYR 871 Ca -0.03 0.21 -0.22 0.00 1.88 0.00 0.00 57.90 59.74 3hbl n TYR 871 Cb 0.10 -0.83 -0.12 0.00 -0.38 0.00 0.00 39.34 38.10 3hbl n TYR 871 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3hbl n SER 872 N -2.00 1.97 -0.20 9.48 3.41 -0.22 -3.52 113.62 122.55 3hbl n SER 872 Ca 0.03 0.31 -0.01 0.00 -0.26 0.00 0.00 58.87 58.95 3hbl n SER 872 Cb 0.26 -0.90 0.07 0.00 -0.26 0.00 0.00 64.21 63.38 3hbl n SER 872 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3hbl h ASN 873 N -0.56 -0.49 0.42 4.04 2.35 -1.25 0.77 115.58 120.86 3hbl h ASN 873 Ca -0.41 0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.42 3hbl h ASN 873 Cb 1.62 0.34 -0.01 0.00 0.05 0.00 0.00 38.32 40.33 3hbl h ASN 873 CO -0.11 -0.18 -0.43 -0.07 -1.65 0.00 0.00 177.43 174.99 3hbl h LEU 874 N 0.02 0.02 -0.79 1.61 4.07 -1.49 -0.42 115.31 118.33 3hbl h LEU 874 Ca 0.29 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 58.15 3hbl h LEU 874 Cb 0.46 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 3hbl h LEU 874 CO -0.59 0.44 -0.15 -1.28 -1.08 0.00 0.00 178.44 175.78 3hbl h SER 875 N 0.01 0.75 -0.30 -0.43 0.87 -1.06 0.26 113.55 113.64 3hbl h SER 875 Ca -0.00 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.19 3hbl h SER 875 Cb 0.76 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3hbl h SER 875 CO 0.06 0.91 -0.30 1.56 -0.53 0.00 0.00 176.83 178.53 3hbl h GLN 876 N 0.67 0.74 -0.29 2.24 4.20 -0.63 -3.03 115.11 119.02 3hbl h GLN 876 Ca 0.11 -0.39 -0.14 0.00 0.06 0.00 0.00 58.65 58.29 3hbl h GLN 876 Cb 0.63 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3hbl h GLN 876 CO 0.04 1.01 -0.38 0.37 -0.67 0.00 0.00 178.83 179.20 3hbl h GLN 877 N 0.49 0.67 -0.15 1.46 4.15 -0.80 -2.40 115.11 118.53 3hbl h GLN 877 Ca 0.05 -0.34 -0.06 0.00 0.77 0.00 0.00 58.65 59.07 3hbl h GLN 877 Cb 0.87 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.56 3hbl h GLN 877 CO 0.07 0.94 -0.16 0.00 -1.93 0.00 0.00 178.83 177.76 3hbl h ALA 878 N 1.02 1.45 -0.11 3.38 0.00 -0.58 -2.71 119.26 121.70 3hbl h ALA 878 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3hbl h ALA 878 Cb 0.91 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hbl h ALA 878 CO 0.08 0.39 0.02 0.87 0.00 0.00 0.00 179.25 180.61 3hbl h LYS 879 N 0.24 0.19 -0.99 0.00 1.57 -1.34 0.58 116.57 116.82 3hbl h LYS 879 Ca 0.05 -0.05 0.27 0.00 -1.87 0.00 0.00 60.65 59.05 3hbl h LYS 879 Cb 0.43 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.67 3hbl h LYS 879 CO 0.03 0.38 0.69 0.77 -0.57 0.00 0.00 179.45 180.75 3hbl h SER 880 N -0.04 0.12 -0.63 0.86 0.02 -1.23 0.61 113.55 113.26 3hbl h SER 880 Ca 0.03 0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.80 3hbl h SER 880 Cb 0.28 -0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.70 3hbl h SER 880 CO 0.00 0.03 0.21 0.18 -1.14 0.00 0.00 176.83 176.11 3hbl n LEU 881 N -4.33 5.55 -3.86 5.07 4.77 -1.04 -4.96 117.00 118.20 3hbl n LEU 881 Ca 0.21 -3.29 -0.29 0.00 -0.03 0.00 0.00 56.01 52.61 3hbl n LEU 881 Cb 0.98 -0.71 0.04 0.00 -2.33 0.00 0.00 43.42 41.40 3hbl n LEU 881 CO 0.36 0.87 0.13 0.61 -1.33 0.00 0.00 177.39 178.02 3hbl n GLY 882 N -0.40 -0.50 1.00 -0.72 0.00 0.21 -4.91 105.19 99.87 3hbl n GLY 882 Ca 0.38 0.20 0.02 0.00 0.00 0.00 0.00 46.02 46.63 3hbl n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbl n LEU 883 N -4.73 2.57 -0.13 0.99 4.77 0.20 -4.83 117.00 115.84 3hbl n LEU 883 Ca 0.02 -3.59 -0.11 0.00 -0.03 0.00 0.00 56.01 52.31 3hbl n LEU 883 Cb 0.54 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3hbl n LEU 883 CO 0.74 1.29 0.77 1.23 -1.33 0.00 0.00 177.39 180.09 3hbl h GLY 884 N 1.18 0.75 1.65 -0.72 0.00 -1.86 -2.99 103.07 101.09 3hbl h GLY 884 Ca -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3hbl h GLY 884 CO 0.11 0.53 0.00 -2.21 0.00 0.00 0.00 176.54 174.96 3hbl n GLU 885 N -4.43 0.29 -0.82 4.80 2.13 -1.26 -3.36 120.64 117.98 3hbl n GLU 885 Ca -0.01 0.06 0.01 0.00 0.66 0.00 0.00 57.16 57.88 3hbl n GLU 885 Cb 0.30 -1.50 0.18 0.00 0.27 0.00 0.00 31.44 30.69 3hbl n GLU 885 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hbl n ARG 886 N -1.33 1.90 0.15 5.31 1.74 -1.13 -4.78 116.66 118.53 3hbl n ARG 886 Ca 0.11 -3.44 0.02 0.00 -0.77 0.00 0.00 57.85 53.77 3hbl n ARG 886 Cb 0.21 -1.73 0.20 0.00 -1.02 0.00 0.00 32.46 30.13 3hbl n ARG 886 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3hbl h PHE 887 N 1.18 0.00 0.00 -1.55 3.57 -1.55 -2.12 116.94 116.47 3hbl h PHE 887 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3hbl h PHE 887 Cb 1.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3hbl h PHE 887 CO 0.78 0.52 0.00 -0.40 -2.23 0.00 0.00 178.31 176.99 3hbl n ASP 888 N -3.54 0.00 -0.00 0.41 5.75 -1.26 -1.41 116.55 116.49 3hbl n ASP 888 Ca -0.00 0.31 0.07 0.00 -0.01 0.00 0.00 54.79 55.16 3hbl n ASP 888 Cb 0.62 -0.36 -0.10 0.00 -1.03 0.00 0.00 41.12 40.25 3hbl n ASP 888 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hbl n GLU 889 N -1.36 1.11 0.08 0.11 1.02 -0.80 -3.79 120.64 117.01 3hbl n GLU 889 Ca 0.02 -0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 56.89 3hbl n GLU 889 Cb 0.05 -1.28 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 3hbl n GLU 889 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hbl h VAL 890 N 0.00 1.14 -0.42 2.62 2.07 -1.15 -2.41 116.25 118.10 3hbl h VAL 890 Ca 0.00 -2.75 -0.07 0.00 0.82 0.00 0.00 66.70 64.70 3hbl h VAL 890 Cb 0.54 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 3hbl h VAL 890 CO 0.00 0.83 -0.03 0.11 0.02 0.00 0.00 177.57 178.50 3hbl h LYS 891 N 0.08 0.70 -0.40 1.57 1.57 -1.56 -1.79 116.57 116.74 3hbl h LYS 891 Ca -0.26 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.19 3hbl h LYS 891 Cb 2.05 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.26 3hbl h LYS 891 CO 0.18 0.73 -0.32 0.22 -0.57 0.00 0.00 179.45 179.69 3hbl h ASP 892 N 0.65 0.93 -0.35 0.86 3.58 -1.65 -2.76 116.42 117.69 3hbl h ASP 892 Ca 0.13 -0.39 -0.14 0.00 0.42 0.00 0.00 57.03 57.04 3hbl h ASP 892 Cb 0.45 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 3hbl h ASP 892 CO 0.02 1.17 -0.32 -0.03 -2.88 0.00 0.00 179.24 177.20 3hbl h MET 893 N 0.74 0.88 -0.27 0.28 4.05 -1.31 -2.69 114.93 116.60 3hbl h MET 893 Ca 0.08 -0.42 0.04 0.00 -0.28 0.00 0.00 59.70 59.12 3hbl h MET 893 Cb 0.89 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.65 3hbl h MET 893 CO 0.08 1.06 0.07 -0.92 0.23 0.00 0.00 176.91 177.43 3hbl h TYR 894 N 0.73 0.11 -0.62 1.39 3.20 -1.30 0.40 116.97 120.90 3hbl h TYR 894 Ca 0.08 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.04 3hbl h TYR 894 Cb 0.88 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.10 3hbl h TYR 894 CO 0.05 0.04 0.41 -0.09 -1.64 0.00 0.00 178.16 176.93 3hbl h ARG 895 N 0.17 0.52 0.18 1.82 2.43 -1.37 -1.89 114.38 116.26 3hbl h ARG 895 Ca 0.12 -0.03 -0.28 0.00 -0.81 0.00 0.00 59.98 58.99 3hbl h ARG 895 Cb 0.12 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3hbl h ARG 895 CO -0.15 0.35 -1.28 0.00 -1.51 0.00 0.00 179.97 177.37 3hbl h ARG 896 N 0.54 0.39 -0.44 0.20 3.08 -1.02 -3.28 114.38 113.84 3hbl h ARG 896 Ca 0.27 -0.67 0.07 0.00 0.07 0.00 0.00 59.98 59.72 3hbl h ARG 896 Cb 0.38 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 3hbl h ARG 896 CO -0.08 1.32 0.30 0.28 -1.07 0.00 0.00 179.97 180.72 3hbl h VAL 897 N -0.11 0.94 -0.42 2.04 2.07 -0.02 -0.96 116.25 119.79 3hbl h VAL 897 Ca -0.24 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3hbl h VAL 897 Cb 1.91 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 3hbl h VAL 897 CO 0.18 0.06 0.14 -1.13 0.02 0.00 0.00 177.57 176.84 3hbl h ASN 898 N 0.31 0.13 0.64 0.57 -0.00 -1.41 -1.97 115.58 113.86 3hbl h ASN 898 Ca 0.20 0.05 -0.17 0.00 -0.00 0.00 0.00 56.30 56.38 3hbl h ASN 898 Cb 0.38 0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 38.73 3hbl h ASN 898 CO -0.04 0.11 -0.77 -0.26 -0.00 0.00 0.00 177.43 176.46 3hbl h PHE 899 N 0.30 0.14 0.00 0.67 0.05 -1.31 -1.11 116.94 115.68 3hbl h PHE 899 Ca 0.20 -0.07 -0.02 0.00 3.82 0.00 0.00 57.97 61.90 3hbl h PHE 899 Cb 0.19 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.12 3hbl h PHE 899 CO -0.16 0.83 -0.08 1.25 -0.18 0.00 0.00 178.31 179.98 3hbl h LEU 900 N 0.06 0.00 -2.02 1.54 5.85 -1.05 -2.52 115.31 117.17 3hbl h LEU 900 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3hbl h LEU 900 Cb 1.36 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3hbl h LEU 900 CO 0.11 0.08 0.00 0.49 -0.34 0.00 0.00 178.44 178.77 3hbl n PHE 901 N -3.19 0.49 -0.53 1.25 3.01 -0.75 -4.90 117.46 112.83 3hbl n PHE 901 Ca 0.01 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.22 3hbl n PHE 901 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 3hbl n PHE 901 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 902 N 1.41 0.93 2.57 1.37 0.00 -0.95 -4.73 105.19 105.80 3hbl n GLY 902 Ca 0.19 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 3hbl n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hbl n ASP 903 N 0.81 -2.45 -4.44 1.61 4.64 -0.43 -4.51 116.55 111.79 3hbl n ASP 903 Ca 0.00 1.45 -0.21 0.00 -1.38 0.00 0.00 54.79 54.65 3hbl n ASP 903 Cb 0.06 -5.11 -0.10 0.00 -1.04 0.00 0.00 41.12 34.93 3hbl n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3hbl s ILE 904 N -0.62 1.60 0.08 5.18 -4.36 -1.26 -4.74 121.20 117.08 3hbl s ILE 904 Ca -0.22 -2.11 -0.30 0.00 -0.26 0.00 0.00 60.65 57.76 3hbl s ILE 904 Cb 0.01 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 41.17 3hbl s ILE 904 CO 0.60 -0.26 1.03 -0.69 0.24 0.00 0.00 174.94 175.86 3hbl s VAL 905 N -3.04 4.43 -0.39 8.37 1.01 -1.26 -5.01 120.40 124.51 3hbl s VAL 905 Ca 0.30 1.89 0.02 0.00 0.00 0.00 0.00 61.98 64.19 3hbl s VAL 905 Cb 0.04 -4.21 0.11 0.00 0.00 0.00 0.00 36.38 32.32 3hbl s VAL 905 CO 0.12 0.23 0.14 -0.54 0.00 0.00 0.00 175.10 175.05 3hbl s LYS 906 N 0.41 1.74 0.00 2.72 1.02 -1.26 -4.64 119.74 119.73 3hbl s LYS 906 Ca 0.51 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.54 3hbl s LYS 906 Cb -0.25 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.70 3hbl s LYS 906 CO 0.30 -1.01 0.00 0.28 -0.92 0.00 0.00 175.35 174.00 3hbl n VAL 907 N 4.22 0.00 -0.64 3.17 0.31 -1.26 -4.46 118.33 119.67 3hbl n VAL 907 Ca 0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.04 3hbl n VAL 907 Cb 0.41 0.00 0.19 0.00 -0.91 0.00 0.00 33.84 33.52 3hbl n VAL 907 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hbl n ALA 908 N -3.00 -3.60 0.00 3.52 0.00 -1.26 -3.43 120.51 112.74 3hbl n ALA 908 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.27 3hbl n ALA 908 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3hbl n ALA 908 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hbl n PRO 909 N -2.79 0.00 -0.01 0.00 -0.01 -1.26 -3.41 135.00 127.53 3hbl n PRO 909 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 63.50 63.51 3hbl n PRO 909 Cb 0.59 0.00 0.30 0.00 -0.01 0.00 0.00 33.50 34.38 3hbl n PRO 909 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 3hbl h SER 910 N 0.00 0.50 -0.20 2.55 4.64 -1.85 -2.65 113.55 116.55 3hbl h SER 910 Ca 0.00 -0.09 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 3hbl h SER 910 Cb 0.00 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3hbl h SER 910 CO 0.00 0.56 -0.13 0.77 -0.87 0.00 0.00 176.83 177.16 3hbl h SER 911 N 0.52 0.45 -0.88 4.97 4.64 -1.58 -2.91 113.55 118.76 3hbl h SER 911 Ca 0.11 -0.44 0.12 0.00 -0.47 0.00 0.00 61.79 61.11 3hbl h SER 911 Cb 0.31 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 3hbl h SER 911 CO 0.01 0.79 0.51 0.50 -0.87 0.00 0.00 176.83 177.77 3hbl h LYS 912 N 0.11 0.77 -0.80 4.77 3.64 -1.76 0.11 116.57 123.42 3hbl h LYS 912 Ca 0.04 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3hbl h LYS 912 Cb 0.64 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.25 3hbl h LYS 912 CO 0.04 0.51 0.53 0.28 -2.27 0.00 0.00 179.45 178.54 3hbl h VAL 913 N 0.80 1.21 -0.18 2.00 2.07 -1.40 0.26 116.25 121.01 3hbl h VAL 913 Ca 0.45 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3hbl h VAL 913 Cb 0.49 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3hbl h VAL 913 CO -0.29 0.20 -0.01 0.58 0.02 0.00 0.00 177.57 178.07 3hbl h VAL 914 N 1.08 1.26 0.20 2.57 2.07 -1.01 -2.53 116.25 119.91 3hbl h VAL 914 Ca 0.29 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.93 3hbl h VAL 914 Cb -0.13 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3hbl h VAL 914 CO -0.06 0.27 -0.44 1.23 0.02 0.00 0.00 177.57 178.59 3hbl h GLY 915 N 0.06 -0.94 -0.25 2.17 0.00 -0.44 0.21 103.07 103.89 3hbl h GLY 915 Ca 0.05 0.52 0.11 0.00 0.00 0.00 0.00 47.33 48.01 3hbl h GLY 915 CO 0.01 -0.29 -0.24 -0.55 0.00 0.00 0.00 176.54 175.47 3hbl h ASP 916 N -0.73 -0.85 -0.55 0.19 3.45 -0.50 0.46 116.42 117.89 3hbl h ASP 916 Ca 0.00 0.20 -0.08 0.00 0.43 0.00 0.00 57.03 57.58 3hbl h ASP 916 Cb 0.72 0.46 -0.02 0.00 -0.56 0.00 0.00 39.33 39.92 3hbl h ASP 916 CO -0.20 -0.26 0.05 0.24 -1.57 0.00 0.00 179.24 177.49 3hbl h MET 917 N -0.11 0.98 -0.81 3.56 2.86 -1.24 -0.53 114.93 119.63 3hbl h MET 917 Ca 0.25 -0.27 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3hbl h MET 917 Cb 0.50 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3hbl h MET 917 CO -0.62 0.94 0.34 0.00 1.06 0.00 0.00 176.91 178.64 3hbl h ALA 918 N 1.13 1.06 -0.52 6.32 0.00 0.26 0.31 119.26 127.82 3hbl h ALA 918 Ca 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hbl h ALA 918 Cb 0.47 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hbl h ALA 918 CO 0.02 0.67 0.21 -0.07 0.00 0.00 0.00 179.25 180.08 3hbl h LEU 919 N 1.18 0.71 -0.21 0.00 4.07 -0.79 -3.08 115.31 117.18 3hbl h LEU 919 Ca 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 3hbl h LEU 919 Cb 0.19 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 3hbl h LEU 919 CO -0.03 0.68 0.10 0.22 -1.08 0.00 0.00 178.44 178.33 3hbl h TYR 920 N 0.69 0.31 -0.13 1.13 3.20 -0.23 -1.59 116.97 120.35 3hbl h TYR 920 Ca 0.17 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3hbl h TYR 920 Cb 0.19 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3hbl h TYR 920 CO 0.00 0.32 -0.34 0.52 -1.64 0.00 0.00 178.16 177.02 3hbl h MET 921 N 0.22 0.27 0.03 1.82 2.86 -0.46 -0.57 114.93 119.10 3hbl h MET 921 Ca 0.07 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 3hbl h MET 921 Cb 0.12 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.78 3hbl h MET 921 CO -0.01 0.59 -0.54 0.28 1.06 0.00 0.00 176.91 178.29 3hbl h VAL 922 N 0.23 1.50 -0.06 -2.22 2.07 -1.52 0.85 116.25 117.09 3hbl h VAL 922 Ca 0.03 -2.17 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 3hbl h VAL 922 Cb 0.72 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 3hbl h VAL 922 CO 0.05 0.62 -0.10 -0.61 0.02 0.00 0.00 177.57 177.55 3hbl h GLN 923 N -0.31 0.09 -0.26 1.57 4.15 -1.14 -2.29 115.11 116.92 3hbl h GLN 923 Ca -0.08 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3hbl h GLN 923 Cb 1.31 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.98 3hbl h GLN 923 CO 0.10 0.20 0.00 0.09 -1.93 0.00 0.00 178.83 177.29 3hbl n ASN 924 N -4.37 3.45 -3.74 -0.69 3.02 -0.23 -5.03 115.26 107.67 3hbl n ASN 924 Ca -0.02 -2.69 -0.26 0.00 -0.03 0.00 0.00 54.58 51.59 3hbl n ASN 924 Cb 0.20 -0.43 0.01 0.00 -0.61 0.00 0.00 39.78 38.96 3hbl n ASN 924 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3hbl n ASP 925 N -0.26 -5.17 -4.73 6.41 9.92 -0.35 -4.98 116.55 117.40 3hbl n ASP 925 Ca 0.17 -0.92 -0.33 0.00 -0.53 0.00 0.00 54.79 53.19 3hbl n ASP 925 Cb 0.72 -2.33 -0.08 0.00 -0.64 0.00 0.00 41.12 38.78 3hbl n ASP 925 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3hbl s LEU 926 N -5.45 3.68 0.67 0.64 2.01 0.28 -5.01 118.68 115.51 3hbl s LEU 926 Ca 0.14 0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.36 3hbl s LEU 926 Cb -0.07 -2.11 0.11 0.00 0.01 0.00 0.00 46.19 44.13 3hbl s LEU 926 CO 0.89 0.28 0.93 -0.62 1.01 0.00 0.00 176.35 178.84 3hbl s ASP 927 N -1.58 4.60 0.47 2.29 2.15 -1.26 -4.82 116.67 118.51 3hbl s ASP 927 Ca 0.20 -0.40 0.26 0.00 0.43 0.00 0.00 52.55 53.05 3hbl s ASP 927 Cb -0.12 -0.08 0.74 0.00 -0.30 0.00 0.00 42.92 43.17 3hbl s ASP 927 CO 0.11 -1.68 1.75 -0.33 -0.17 0.00 0.00 175.17 174.86 3hbl h GLU 928 N -0.32 0.00 0.00 4.34 3.07 -2.00 -3.11 114.58 116.56 3hbl h GLU 928 Ca -0.36 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.32 3hbl h GLU 928 Cb 1.27 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 3hbl h GLU 928 CO 0.42 0.06 -1.77 0.94 -1.40 0.00 0.00 179.01 177.26 3hbl n GLN 929 N -3.13 0.65 -0.10 2.33 -0.06 -1.26 -4.33 117.38 111.47 3hbl n GLN 929 Ca 0.02 0.08 -0.13 0.00 -2.00 0.00 0.00 57.00 54.97 3hbl n GLN 929 Cb 0.46 -1.68 -0.04 0.00 -4.06 0.00 0.00 30.24 24.92 3hbl n GLN 929 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3hbl h SER 930 N 0.00 0.79 -0.98 1.69 0.87 -1.92 -2.84 113.55 111.15 3hbl h SER 930 Ca -0.22 -0.46 0.06 0.00 -1.23 0.00 0.00 61.79 59.94 3hbl h SER 930 Cb 1.62 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 63.29 3hbl h SER 930 CO 0.03 1.08 0.63 -0.37 -0.53 0.00 0.00 176.83 177.67 3hbl h VAL 931 N 0.51 1.10 0.04 2.23 -1.51 -1.73 -2.76 116.25 114.13 3hbl h VAL 931 Ca 0.06 -0.40 -0.22 0.00 -1.23 0.00 0.00 66.70 64.90 3hbl h VAL 931 Cb 0.84 -0.17 -0.01 0.00 -2.13 0.00 0.00 31.29 29.81 3hbl h VAL 931 CO 0.07 0.21 -1.04 0.16 -1.23 0.00 0.00 177.57 175.75 3hbl h ILE 932 N 1.17 1.60 0.08 7.19 3.07 -1.75 -3.11 117.51 125.75 3hbl h ILE 932 Ca 0.42 -3.10 -0.00 0.00 1.55 0.00 0.00 64.86 63.72 3hbl h ILE 932 Cb 0.13 2.78 0.00 0.00 -0.27 0.00 0.00 36.82 39.46 3hbl h ILE 932 CO -0.16 0.90 -0.04 0.74 -1.05 0.00 0.00 178.15 178.53 3hbl h THR 933 N 0.05 1.13 -1.72 0.16 2.02 -1.24 -3.34 112.91 109.96 3hbl h THR 933 Ca -0.06 -0.77 -0.59 0.00 0.77 0.00 0.00 66.41 65.76 3hbl h THR 933 Cb 1.75 1.62 -0.42 0.00 -1.74 0.00 0.00 68.15 69.37 3hbl h THR 933 CO 0.15 0.19 -0.70 -0.90 0.37 0.00 0.00 175.52 174.63 3hbl n ASP 934 N -4.97 4.66 -0.19 4.18 5.75 -1.07 -4.89 116.55 120.02 3hbl n ASP 934 Ca -0.08 -3.71 0.11 0.00 -0.01 0.00 0.00 54.79 51.09 3hbl n ASP 934 Cb 0.21 -0.49 0.54 0.00 -1.03 0.00 0.00 41.12 40.35 3hbl n ASP 934 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hbl n GLY 935 N -0.42 -0.57 0.13 6.12 0.00 -1.17 -4.07 105.19 105.20 3hbl n GLY 935 Ca 0.37 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 3hbl n GLY 935 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hbl n TYR 936 N -0.44 0.18 1.95 1.61 4.02 -1.26 -4.26 117.16 118.97 3hbl n TYR 936 Ca 0.16 0.04 0.10 0.00 -0.01 0.00 0.00 57.90 58.19 3hbl n TYR 936 Cb 0.16 -1.02 0.60 0.00 -0.02 0.00 0.00 39.34 39.06 3hbl n TYR 936 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 3hbl n LYS 937 N -3.38 0.98 0.03 -0.72 2.85 -1.26 -4.24 118.16 112.41 3hbl n LYS 937 Ca -0.45 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.63 3hbl n LYS 937 Cb 0.99 -1.32 -0.12 0.00 -0.65 0.00 0.00 35.03 33.92 3hbl n LYS 937 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 3hbl h LEU 938 N 0.00 0.55 -2.26 -5.58 3.38 -1.74 -3.50 115.31 106.16 3hbl h LEU 938 Ca 0.00 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.15 3hbl h LEU 938 Cb 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.58 3hbl h LEU 938 CO 0.00 1.31 -0.78 -0.67 0.09 0.00 0.00 178.44 178.39 3hbl n ASP 939 N -4.15 -7.44 -4.80 -0.43 4.64 -1.26 -4.99 116.55 98.12 3hbl n ASP 939 Ca -0.12 1.08 -0.32 0.00 -1.38 0.00 0.00 54.79 54.05 3hbl n ASP 939 Cb 0.75 -4.94 0.03 0.00 -1.04 0.00 0.00 41.12 35.92 3hbl n ASP 939 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3hbl s PHE 940 N -1.74 2.93 0.33 -0.67 0.40 -1.26 -5.00 117.98 112.97 3hbl s PHE 940 Ca 0.06 1.50 -0.27 0.00 -0.60 0.00 0.00 56.93 57.62 3hbl s PHE 940 Cb -0.02 -3.01 -0.13 0.00 0.51 0.00 0.00 43.02 40.38 3hbl s PHE 940 CO 0.71 -1.29 1.03 -2.30 0.70 0.00 0.00 175.22 174.07 3hbl n PRO 941 N -2.46 1.43 -0.35 0.24 -0.02 -1.26 -4.87 135.00 127.71 3hbl n PRO 941 Ca 0.09 0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 62.04 3hbl n PRO 941 Cb 0.53 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3hbl n PRO 941 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hbl n GLU 942 N 0.55 -0.26 -0.30 -0.52 -0.58 -1.26 -2.26 120.64 116.01 3hbl n GLU 942 Ca 0.09 1.37 -0.05 0.00 -0.42 0.00 0.00 57.16 58.15 3hbl n GLU 942 Cb 0.35 -2.03 0.07 0.00 -0.57 0.00 0.00 31.44 29.26 3hbl n GLU 942 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3hbl h SER 943 N 0.00 1.03 0.47 1.62 4.64 -1.96 -2.68 113.55 116.67 3hbl h SER 943 Ca 0.27 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 3hbl h SER 943 Cb 0.49 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3hbl h SER 943 CO -0.88 0.83 -0.67 1.62 -0.87 0.00 0.00 176.83 176.87 3hbl h VAL 944 N 1.15 1.43 -0.05 0.95 3.04 -1.76 0.26 116.25 121.26 3hbl h VAL 944 Ca 0.29 -2.16 -0.13 0.00 -1.01 0.00 0.00 66.70 63.69 3hbl h VAL 944 Cb 0.03 2.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 3hbl h VAL 944 CO -0.05 0.63 -0.56 -0.37 -1.01 0.00 0.00 177.57 176.22 3hbl h VAL 945 N 0.12 1.38 -0.16 1.51 -1.51 -1.41 -0.46 116.25 115.72 3hbl h VAL 945 Ca -0.01 -1.89 -0.11 0.00 -1.23 0.00 0.00 66.70 63.46 3hbl h VAL 945 Cb 1.19 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 32.31 3hbl h VAL 945 CO 0.10 0.55 -0.32 -1.28 -1.23 0.00 0.00 177.57 175.39 3hbl h SER 946 N 0.12 0.56 -0.90 4.19 0.87 -1.18 -2.38 113.55 114.83 3hbl h SER 946 Ca -0.00 -0.55 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 3hbl h SER 946 Cb 1.02 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 3hbl h SER 946 CO 0.08 1.01 0.58 0.15 -0.53 0.00 0.00 176.83 178.12 3hbl h PHE 947 N 0.14 1.16 0.00 2.24 3.04 -0.34 -1.87 116.94 121.30 3hbl h PHE 947 Ca 0.01 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.97 3hbl h PHE 947 Cb 0.91 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.04 3hbl h PHE 947 CO 0.10 0.75 0.00 0.74 -2.02 0.00 0.00 178.31 177.88 3hbl h PHE 948 N 1.23 0.00 0.00 0.41 -1.00 -1.12 -0.74 116.94 115.72 3hbl h PHE 948 Ca 0.33 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.11 3hbl h PHE 948 Cb -0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.46 3hbl h PHE 948 CO -0.00 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 178.33 3hbl n LYS 949 N -2.65 0.60 -1.37 1.51 5.02 -0.90 -4.83 118.16 115.54 3hbl n LYS 949 Ca 0.05 0.01 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 3hbl n LYS 949 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.97 3hbl n LYS 949 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hbl n GLY 950 N 1.11 0.58 0.00 0.72 0.00 -0.28 -1.80 105.19 105.52 3hbl n GLY 950 Ca 0.17 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.40 3hbl n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hbl n GLU 951 N -2.51 0.76 -0.00 1.61 1.02 -0.74 -2.34 120.64 118.45 3hbl n GLU 951 Ca -0.05 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3hbl n GLU 951 Cb 0.24 -1.16 -0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3hbl n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3hbl n ILE 952 N -0.66 0.03 -0.97 -3.67 -0.00 -1.26 -4.93 119.36 107.89 3hbl n ILE 952 Ca 0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 3hbl n ILE 952 Cb 0.03 -0.98 0.00 0.00 -0.00 0.00 0.00 39.64 38.69 3hbl n ILE 952 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3hbl n GLY 953 N 2.97 -0.50 3.50 7.39 0.00 -0.99 -4.93 105.19 112.64 3hbl n GLY 953 Ca -0.01 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 3hbl n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbl s GLN 954 N -1.74 3.75 0.82 1.61 -1.52 -1.26 -4.63 119.66 116.69 3hbl s GLN 954 Ca 0.00 -0.43 -0.10 0.00 -1.95 0.00 0.00 55.36 52.87 3hbl s GLN 954 Cb 0.00 -3.33 0.09 0.00 -0.22 0.00 0.00 33.01 29.54 3hbl s GLN 954 CO 0.00 -0.08 1.11 -1.25 -0.25 0.00 0.00 175.29 174.82 3hbl s PRO 955 N 1.35 1.86 0.13 2.91 0.04 -1.26 -4.71 135.00 135.32 3hbl s PRO 955 Ca 0.05 1.29 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 3hbl s PRO 955 Cb -0.15 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3hbl s PRO 955 CO 0.04 -1.96 1.59 0.28 0.04 0.00 0.00 177.00 176.99 3hbl h VAL 956 N -1.37 0.16 0.00 -0.36 2.07 -1.85 -1.84 116.25 113.07 3hbl h VAL 956 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3hbl h VAL 956 Cb 1.24 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3hbl h VAL 956 CO 0.48 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.66 3hbl n ASN 957 N -5.44 0.57 0.00 0.57 4.13 -1.26 -5.04 115.26 108.79 3hbl n ASN 957 Ca -0.04 0.56 0.00 0.00 1.68 0.00 0.00 54.58 56.78 3hbl n ASN 957 Cb 0.36 -0.71 0.00 0.00 -1.54 0.00 0.00 39.78 37.89 3hbl n ASN 957 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hbl n GLY 958 N 1.24 -1.81 3.91 7.41 0.00 -0.69 -5.00 105.19 110.26 3hbl n GLY 958 Ca 0.06 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.03 3hbl n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hbl s PHE 959 N 0.00 3.46 -0.42 1.61 0.40 -1.26 -4.75 117.98 117.02 3hbl s PHE 959 Ca 0.00 0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 56.20 3hbl s PHE 959 Cb 0.00 -1.69 0.02 0.00 0.51 0.00 0.00 43.02 41.86 3hbl s PHE 959 CO 0.00 0.55 1.18 1.21 0.70 0.00 0.00 175.22 178.86 3hbl s ASN 960 N -2.86 6.65 0.13 1.36 3.04 -1.26 -4.95 114.94 117.06 3hbl s ASN 960 Ca 0.34 0.69 -0.21 0.00 0.04 0.00 0.00 52.86 53.72 3hbl s ASN 960 Cb -0.12 -2.55 -0.02 0.00 -1.54 0.00 0.00 41.25 37.03 3hbl s ASN 960 CO 0.28 -1.20 1.68 0.11 -3.04 0.00 0.00 177.10 174.93 3hbl h LYS 961 N 9.24 -0.10 0.00 0.43 1.57 -1.98 0.19 116.57 125.92 3hbl h LYS 961 Ca -0.23 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 3hbl h LYS 961 Cb 1.07 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3hbl h LYS 961 CO 1.10 -0.07 -0.49 -0.44 -0.57 0.00 0.00 179.45 178.98 3hbl h ASP 962 N -0.10 0.00 -0.30 0.86 3.32 -2.00 -1.34 116.42 116.86 3hbl h ASP 962 Ca 0.10 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 3hbl h ASP 962 Cb 0.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 3hbl h ASP 962 CO -0.23 0.49 -0.46 0.25 -1.72 0.00 0.00 179.24 177.56 3hbl h LEU 963 N 0.00 0.92 -1.33 1.55 5.85 -1.86 -3.22 115.31 117.23 3hbl h LEU 963 Ca -0.00 -0.51 -0.07 0.00 0.84 0.00 0.00 57.88 58.13 3hbl h LEU 963 Cb 0.88 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3hbl h LEU 963 CO 0.06 1.26 -0.33 -0.61 -0.34 0.00 0.00 178.44 178.48 3hbl h GLN 964 N 0.62 0.00 -0.65 1.25 4.15 -0.25 -3.08 115.11 117.15 3hbl h GLN 964 Ca 0.03 0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 3hbl h GLN 964 Cb 1.07 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.73 3hbl h GLN 964 CO 0.11 0.33 0.15 0.00 -1.93 0.00 0.00 178.83 177.49 3hbl h ALA 965 N 1.67 1.04 0.07 3.38 0.00 -1.26 -2.44 119.26 121.72 3hbl h ALA 965 Ca -0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.40 3hbl h ALA 965 Cb 0.59 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hbl h ALA 965 CO 0.04 0.63 -1.33 -0.39 0.00 0.00 0.00 179.25 178.21 3hbl h VAL 966 N 0.98 1.37 -0.36 0.00 -1.51 -1.64 -2.45 116.25 112.63 3hbl h VAL 966 Ca 0.21 -3.04 -0.11 0.00 -1.23 0.00 0.00 66.70 62.53 3hbl h VAL 966 Cb 0.36 2.79 -0.01 0.00 -2.13 0.00 0.00 31.29 32.29 3hbl h VAL 966 CO 0.00 0.84 -0.22 0.40 -1.23 0.00 0.00 177.57 177.36 3hbl h ILE 967 N 0.04 1.27 0.02 7.19 2.04 -1.54 -3.25 117.51 123.28 3hbl h ILE 967 Ca -0.15 -1.31 -0.25 0.00 1.00 0.00 0.00 64.86 64.15 3hbl h ILE 967 Cb 1.93 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 3hbl h ILE 967 CO 0.15 0.43 -1.30 -0.07 0.00 0.00 0.00 178.15 177.36 3hbl h LEU 968 N 0.62 0.06 -1.21 1.44 3.38 -1.51 -3.45 115.31 114.64 3hbl h LEU 968 Ca 0.09 -0.08 -0.42 0.00 0.09 0.00 0.00 57.88 57.56 3hbl h LEU 968 Cb 0.71 -0.02 0.07 0.00 0.09 0.00 0.00 40.66 41.51 3hbl h LEU 968 CO 0.05 1.06 -0.75 0.29 0.09 0.00 0.00 178.44 179.19 3hbl n LYS 969 N -3.27 -6.36 -2.19 1.13 5.02 -0.92 -2.99 118.16 108.58 3hbl n LYS 969 Ca -0.08 0.71 -0.02 0.00 -2.02 0.00 0.00 58.31 56.91 3hbl n LYS 969 Cb 0.99 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 30.39 3hbl n LYS 969 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hbl n GLY 970 N -1.68 0.44 3.92 0.72 0.00 -1.25 -5.06 105.19 102.28 3hbl n GLY 970 Ca -0.09 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.88 3hbl n GLY 970 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hbl s GLN 971 N -4.38 3.47 0.13 1.61 0.74 -1.16 -5.06 119.66 115.01 3hbl s GLN 971 Ca 0.01 -0.41 -0.31 0.00 0.05 0.00 0.00 55.36 54.70 3hbl s GLN 971 Cb -0.01 -2.98 -0.09 0.00 1.10 0.00 0.00 33.01 31.03 3hbl s GLN 971 CO 0.02 0.55 1.63 -1.21 -0.55 0.00 0.00 175.29 175.72 3hbl s GLU 972 N -2.76 4.20 -0.19 1.67 0.41 -1.26 -4.98 118.70 115.79 3hbl s GLU 972 Ca 0.36 2.38 -0.10 0.00 -0.41 0.00 0.00 54.97 57.20 3hbl s GLU 972 Cb -0.12 -3.36 -0.05 0.00 -1.78 0.00 0.00 34.13 28.82 3hbl s GLU 972 CO 0.28 -0.68 0.13 0.00 -0.49 0.00 0.00 175.26 174.49 3hbl s ALA 973 N 1.85 3.70 0.49 5.21 0.00 -1.26 -4.88 121.76 126.87 3hbl s ALA 973 Ca 0.73 -0.69 -0.23 0.00 0.00 0.00 0.00 51.96 51.77 3hbl s ALA 973 Cb -0.43 -2.13 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 3hbl s ALA 973 CO 0.32 0.21 1.29 -0.51 0.00 0.00 0.00 175.76 177.07 3hbl s LEU 974 N 0.20 3.97 0.00 0.00 1.43 -0.74 -5.00 118.68 118.54 3hbl s LEU 974 Ca 0.09 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 3hbl s LEU 974 Cb -0.11 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.91 3hbl s LEU 974 CO -0.01 -1.23 0.00 0.41 0.23 0.00 0.00 176.35 175.75 3hbl n THR 975 N -0.64 0.00 0.00 5.49 -1.04 -1.26 -4.82 114.28 112.00 3hbl n THR 975 Ca 0.08 0.47 0.00 0.00 -2.04 0.00 0.00 64.05 62.57 3hbl n THR 975 Cb 0.46 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 3hbl n THR 975 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hbl n ALA 976 N -2.10 0.00 -1.77 2.41 0.00 -1.26 -5.01 120.51 112.78 3hbl n ALA 976 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3hbl n ALA 976 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3hbl n ALA 976 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hbl s ARG 977 N 2.87 4.30 0.59 0.00 0.52 -1.26 -4.89 118.95 121.07 3hbl s ARG 977 Ca 0.00 2.27 0.34 0.00 -0.52 0.00 0.00 55.73 57.82 3hbl s ARG 977 Cb 0.00 -3.04 1.82 0.00 0.52 0.00 0.00 34.95 34.25 3hbl s ARG 977 CO 0.00 -0.26 2.19 -1.35 0.02 0.00 0.00 175.30 175.90 3hbl h PRO 978 N 3.28 0.00 0.00 3.54 0.11 -1.93 -3.21 132.00 133.79 3hbl h PRO 978 Ca -0.49 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3hbl h PRO 978 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 3hbl h PRO 978 CO 0.65 0.04 -1.67 0.41 -0.21 0.00 0.00 178.00 177.22 3hbl n GLY 979 N -0.80 -1.16 0.00 -0.55 0.00 -1.26 -4.20 105.19 97.22 3hbl n GLY 979 Ca -0.02 -0.32 0.15 0.00 0.00 0.00 0.00 46.02 45.83 3hbl n GLY 979 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hbl n GLU 980 N -2.61 0.71 0.08 1.61 0.28 -1.21 -2.22 120.64 117.29 3hbl n GLU 980 Ca -0.09 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.80 3hbl n GLU 980 Cb 0.73 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.97 3hbl n GLU 980 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 177.13 178.85 3hbl h TYR 981 N 0.00 0.26 -3.92 -1.84 -1.99 -1.73 -3.48 116.97 104.27 3hbl h TYR 981 Ca 0.00 -0.19 -0.47 0.00 2.00 0.00 0.00 58.73 60.07 3hbl h TYR 981 Cb 0.12 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.84 3hbl h TYR 981 CO 0.00 1.15 0.38 -0.51 -0.00 0.00 0.00 178.16 179.18 3hbl s LEU 982 N -6.93 4.25 0.16 3.88 1.43 -0.94 -5.03 118.68 115.50 3hbl s LEU 982 Ca -0.02 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 54.72 3hbl s LEU 982 Cb 0.08 -4.09 -0.07 0.00 0.03 0.00 0.00 46.19 42.15 3hbl s LEU 982 CO 0.85 -0.26 1.04 -1.61 0.23 0.00 0.00 176.35 176.60 3hbl s GLU 983 N -2.26 4.65 0.45 1.70 0.41 -1.26 -4.77 118.70 117.62 3hbl s GLU 983 Ca 0.53 1.60 -0.24 0.00 -0.41 0.00 0.00 54.97 56.46 3hbl s GLU 983 Cb -0.20 -3.32 -0.10 0.00 -1.78 0.00 0.00 34.13 28.74 3hbl s GLU 983 CO 0.26 0.15 1.03 -2.30 -0.49 0.00 0.00 175.26 173.91 3hbl n PRO 984 N 2.49 1.35 -2.48 0.39 -0.02 -1.26 -4.74 135.00 130.73 3hbl n PRO 984 Ca 0.02 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 3hbl n PRO 984 Cb 0.47 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 3hbl n PRO 984 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hbl s VAL 985 N -1.30 4.11 -1.06 -1.45 1.01 -1.26 -4.96 120.40 115.48 3hbl s VAL 985 Ca 0.65 1.57 -0.22 0.00 0.00 0.00 0.00 61.98 63.97 3hbl s VAL 985 Cb -0.53 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 31.88 3hbl s VAL 985 CO 0.56 0.15 1.59 -0.62 0.00 0.00 0.00 175.10 176.78 3hbl s ASP 986 N 0.81 6.33 0.50 3.32 -1.08 -1.26 -4.85 116.67 120.43 3hbl s ASP 986 Ca 0.56 -1.53 0.20 0.00 -0.52 0.00 0.00 52.55 51.25 3hbl s ASP 986 Cb -0.28 -2.57 1.27 0.00 -1.46 0.00 0.00 42.92 39.88 3hbl s ASP 986 CO 0.30 -1.67 2.08 -0.26 0.52 0.00 0.00 175.17 176.14 3hbl h PHE 987 N 9.59 0.00 -0.00 -5.34 -1.00 -1.99 -2.00 116.94 116.21 3hbl h PHE 987 Ca 0.23 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.85 3hbl h PHE 987 Cb 0.98 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.52 3hbl h PHE 987 CO 1.30 0.11 -0.77 0.93 -1.61 0.00 0.00 178.31 178.27 3hbl h GLU 988 N 0.00 0.02 0.01 1.51 4.39 -1.98 0.13 114.58 118.66 3hbl h GLU 988 Ca -0.00 -0.02 -0.19 0.00 0.34 0.00 0.00 59.36 59.48 3hbl h GLU 988 Cb 0.23 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3hbl h GLU 988 CO 0.01 0.78 -0.88 0.87 -1.16 0.00 0.00 179.01 178.63 3hbl h LYS 989 N 0.01 0.08 -0.36 2.33 1.57 -1.80 0.20 116.57 118.60 3hbl h LYS 989 Ca -0.01 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.55 3hbl h LYS 989 Cb 1.35 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 3hbl h LYS 989 CO 0.10 0.91 -0.27 0.28 -0.57 0.00 0.00 179.45 179.90 3hbl h VAL 990 N 0.04 1.28 -0.48 0.50 2.07 -1.21 -2.05 116.25 116.41 3hbl h VAL 990 Ca -0.03 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 3hbl h VAL 990 Cb 1.53 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 3hbl h VAL 990 CO 0.12 0.47 0.24 -0.09 0.02 0.00 0.00 177.57 178.34 3hbl h ARG 991 N 0.61 0.68 -0.48 1.57 2.43 -0.73 -2.99 114.38 115.47 3hbl h ARG 991 Ca 0.07 -0.09 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 3hbl h ARG 991 Cb 0.84 -0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 30.16 3hbl h ARG 991 CO 0.07 0.56 -0.41 0.93 -1.51 0.00 0.00 179.97 179.61 3hbl h GLU 992 N 0.63 -0.26 -0.78 0.20 5.08 -0.41 -1.22 114.58 117.83 3hbl h GLU 992 Ca 0.17 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3hbl h GLU 992 Cb 0.09 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3hbl h GLU 992 CO -0.02 -0.17 0.49 1.25 -1.00 0.00 0.00 179.01 179.56 3hbl h LEU 993 N -0.27 0.80 -0.38 1.33 5.85 -1.31 -2.41 115.31 118.92 3hbl h LEU 993 Ca 0.16 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.70 3hbl h LEU 993 Cb 0.57 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3hbl h LEU 993 CO -0.62 0.54 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.20 3hbl h LEU 994 N 0.95 0.48 -0.56 2.25 3.38 -1.30 -2.51 115.31 118.00 3hbl h LEU 994 Ca 0.32 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hbl h LEU 994 Cb 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3hbl h LEU 994 CO -0.13 1.07 0.30 -0.33 0.09 0.00 0.00 178.44 179.45 3hbl h GLU 995 N 0.27 0.78 -0.39 1.13 4.39 -1.00 -2.72 114.58 117.03 3hbl h GLU 995 Ca -0.04 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 3hbl h GLU 995 Cb 1.34 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 3hbl h GLU 995 CO 0.13 0.60 -0.05 1.49 -1.16 0.00 0.00 179.01 180.02 3hbl h GLU 996 N 0.75 0.73 -0.35 2.33 4.22 -1.40 -3.27 114.58 117.59 3hbl h GLU 996 Ca 0.20 -0.26 -0.03 0.00 0.08 0.00 0.00 59.36 59.35 3hbl h GLU 996 Cb 0.05 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3hbl h GLU 996 CO -0.03 0.85 0.11 0.93 -2.18 0.00 0.00 179.01 178.69 3hbl h GLU 997 N 0.55 0.55 0.00 1.92 5.08 -1.41 -3.45 114.58 117.82 3hbl h GLU 997 Ca 0.11 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hbl h GLU 997 Cb 0.55 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hbl h GLU 997 CO 0.03 0.58 0.00 1.04 -1.00 0.00 0.00 179.01 179.66 3hbl n GLN 998 N -4.64 1.47 -0.13 2.33 6.02 -1.03 -5.02 117.38 116.38 3hbl n GLN 998 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 3hbl n GLN 998 Cb 0.18 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.42 3hbl n GLN 998 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 3hbl h GLN 999 N 0.00 0.69 0.00 -1.09 -0.00 -1.87 -3.47 115.11 109.37 3hbl h GLN 999 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 3hbl h GLN 999 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.42 3hbl h GLN 999 CO 0.00 0.79 0.00 0.41 -0.00 0.00 0.00 178.83 180.03 3hbl n GLY 1000N -0.35 0.37 0.00 0.06 0.00 -1.24 -4.94 105.19 99.08 3hbl n GLY 1000Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3hbl n GLY 1000CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hbl n PRO 1001N 0.00 0.00 -1.80 1.61 -0.04 -1.26 -5.02 135.00 128.49 3hbl n PRO 1001Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hbl n PRO 1001Cb 0.00 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 3hbl n PRO 1001CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hbl n VAL 1002N -1.06-11.25 -3.73 0.52 0.31 -1.26 -4.99 118.33 96.87 3hbl n VAL 1002Ca 0.00 2.71 -0.23 0.00 -0.01 0.00 0.00 64.34 66.81 3hbl n VAL 1002Cb 0.00 -4.95 -0.02 0.00 -0.91 0.00 0.00 33.84 27.95 3hbl n VAL 1002CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 3hbl s THR 1003N -0.42 2.23 0.20 2.52 -4.23 -1.26 -4.99 115.64 109.69 3hbl s THR 1003Ca 0.00 -1.43 -0.10 0.00 -1.18 0.00 0.00 61.69 58.98 3hbl s THR 1003Cb 0.00 -2.66 0.14 0.00 1.34 0.00 0.00 72.50 71.33 3hbl s THR 1003CO 0.00 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 175.56 3hbl h GLU 1004N 0.95 1.05 -0.23 3.99 4.39 -2.00 -1.81 114.58 120.91 3hbl h GLU 1004Ca -0.39 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.20 3hbl h GLU 1004Cb 1.28 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 3hbl h GLU 1004CO 0.58 0.79 0.15 1.96 -1.16 0.00 0.00 179.01 181.34 3hbl h GLN 1005N 1.03 0.18 -0.38 2.33 4.20 -1.97 -1.18 115.11 119.32 3hbl h GLN 1005Ca 0.26 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.83 3hbl h GLN 1005Cb 0.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3hbl h GLN 1005CO -0.04 0.12 -0.27 -0.44 -0.67 0.00 0.00 178.83 177.54 3hbl h ASP 1006N 0.19 0.90 0.33 1.46 3.32 -1.74 -3.15 116.42 117.72 3hbl h ASP 1006Ca 0.10 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 3hbl h ASP 1006Cb 0.15 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3hbl h ASP 1006CO -0.02 1.14 -0.16 0.40 -1.72 0.00 0.00 179.24 178.88 3hbl h ILE 1007N 0.66 0.66 -0.31 0.35 2.04 -0.45 -1.82 117.51 118.64 3hbl h ILE 1007Ca 0.07 -0.54 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 3hbl h ILE 1007Cb 0.84 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3hbl h ILE 1007CO 0.07 0.10 -0.14 0.16 0.00 0.00 0.00 178.15 178.34 3hbl h ILE 1008N -0.76 1.24 -0.48 -0.67 -0.00 -1.69 -1.72 117.51 113.44 3hbl h ILE 1008Ca -0.05 -1.07 0.08 0.00 -0.00 0.00 0.00 64.86 63.82 3hbl h ILE 1008Cb 0.51 1.16 -0.06 0.00 -0.00 0.00 0.00 36.82 38.42 3hbl h ILE 1008CO 0.07 0.35 0.11 0.28 -0.00 0.00 0.00 178.15 178.96 3hbl h SER 1009N 0.49 0.03 0.21 2.16 0.02 -1.49 0.64 113.55 115.61 3hbl h SER 1009Ca 0.09 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3hbl h SER 1009Cb 0.53 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3hbl h SER 1009CO 0.03 0.05 -0.10 0.22 -1.14 0.00 0.00 176.83 175.89 3hbl h TYR 1010N 0.25 -0.26 -0.50 3.45 3.20 -1.00 -0.94 116.97 121.17 3hbl h TYR 1010Ca 0.23 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.19 3hbl h TYR 1010Cb 0.30 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.58 3hbl h TYR 1010CO -0.21 -0.09 0.07 0.28 -1.64 0.00 0.00 178.16 176.57 3hbl h VAL 1011N -0.39 0.68 -0.62 1.81 2.07 -0.81 -0.47 116.25 118.53 3hbl h VAL 1011Ca -0.03 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3hbl h VAL 1011Cb 0.30 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3hbl h VAL 1011CO 0.05 0.04 0.22 -0.07 0.02 0.00 0.00 177.57 177.83 3hbl h LEU 1012N 0.19 0.87 -6.00 2.57 3.38 0.36 -3.38 115.31 113.31 3hbl h LEU 1012Ca 0.25 -0.19 -0.55 0.00 0.09 0.00 0.00 57.88 57.49 3hbl h LEU 1012Cb 0.36 -0.23 -0.39 0.00 0.09 0.00 0.00 40.66 40.49 3hbl h LEU 1012CO -0.36 0.82 -1.11 -1.22 0.09 0.00 0.00 178.44 176.67 3hbl n TYR 1013N -4.42 -0.16 -0.19 1.13 4.02 -0.36 -4.47 117.16 112.70 3hbl n TYR 1013Ca 0.04 -3.62 -0.01 0.00 -0.01 0.00 0.00 57.90 54.30 3hbl n TYR 1013Cb 0.19 -0.37 0.09 0.00 -0.02 0.00 0.00 39.34 39.23 3hbl n TYR 1013CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3hbl h PRO 1014N 3.83 0.41 -0.43 -0.72 0.11 -1.28 0.70 132.00 134.62 3hbl h PRO 1014Ca 0.08 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.09 3hbl h PRO 1014Cb 0.89 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.89 3hbl h PRO 1014CO 0.48 0.27 -0.02 -0.22 -0.21 0.00 0.00 178.00 178.30 3hbl h LYS 1015N 0.42 0.77 -0.01 1.05 1.63 -1.95 -3.03 116.57 115.46 3hbl h LYS 1015Ca 0.29 -0.26 -0.25 0.00 -0.85 0.00 0.00 60.65 59.58 3hbl h LYS 1015Cb 0.32 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3hbl h LYS 1015CO -0.27 0.85 -0.98 0.28 -3.45 0.00 0.00 179.45 175.88 3hbl h VAL 1016N 0.61 1.33 -0.25 2.00 2.07 -1.79 -2.85 116.25 117.36 3hbl h VAL 1016Ca 0.12 -2.31 -0.02 0.00 0.82 0.00 0.00 66.70 65.31 3hbl h VAL 1016Cb 0.52 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3hbl h VAL 1016CO 0.03 0.70 0.08 0.22 0.02 0.00 0.00 177.57 178.62 3hbl h TYR 1017N 0.34 0.41 -0.92 1.57 3.20 -0.94 0.13 116.97 120.75 3hbl h TYR 1017Ca -0.10 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.72 3hbl h TYR 1017Cb 1.63 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.73 3hbl h TYR 1017CO 0.08 0.45 0.57 0.93 -1.64 0.00 0.00 178.16 178.55 3hbl h GLU 1018N 0.25 1.25 0.00 1.82 4.39 -1.60 0.69 114.58 121.37 3hbl h GLU 1018Ca 0.08 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3hbl h GLU 1018Cb 0.23 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3hbl h GLU 1018CO -0.00 0.86 -0.28 1.96 -1.16 0.00 0.00 179.01 180.39 3hbl h GLN 1019N 1.27 0.00 -0.05 2.33 4.20 -1.24 -1.11 115.11 120.50 3hbl h GLN 1019Ca 0.33 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.00 3hbl h GLN 1019Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hbl h GLN 1019CO -0.06 0.28 -0.15 -0.92 -0.67 0.00 0.00 178.83 177.30 3hbl h TYR 1020N 0.00 0.26 -0.56 2.96 3.20 0.32 -2.85 116.97 120.30 3hbl h TYR 1020Ca -0.00 -0.10 0.09 0.00 3.14 0.00 0.00 58.73 61.86 3hbl h TYR 1020Cb 0.79 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.95 3hbl h TYR 1020CO 0.00 0.76 0.18 0.82 -1.64 0.00 0.00 178.16 178.29 3hbl h ILE 1021N -0.32 0.76 -0.39 1.81 1.08 -0.63 0.37 117.51 120.18 3hbl h ILE 1021Ca -0.00 -0.12 0.06 0.00 -0.39 0.00 0.00 64.86 64.41 3hbl h ILE 1021Cb 0.76 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 3hbl h ILE 1021CO 0.03 0.06 0.08 1.56 -0.69 0.00 0.00 178.15 179.20 3hbl h GLN 1022N 0.35 0.21 -0.40 2.37 1.08 -1.28 -0.43 115.11 117.00 3hbl h GLN 1022Ca 0.28 -0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.40 3hbl h GLN 1022Cb 0.35 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3hbl h GLN 1022CO -0.30 0.14 -0.02 1.15 -0.95 0.00 0.00 178.83 178.85 3hbl h THR 1023N 0.21 1.26 -0.98 -0.54 2.02 -1.05 -1.43 112.91 112.42 3hbl h THR 1023Ca 0.19 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.37 3hbl h THR 1023Cb 0.22 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.71 3hbl h THR 1023CO -0.24 0.35 0.64 -0.09 0.37 0.00 0.00 175.52 176.55 3hbl h ARG 1024N 0.55 1.16 0.00 6.66 2.43 -0.07 0.38 114.38 125.49 3hbl h ARG 1024Ca 0.11 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.14 3hbl h ARG 1024Cb 0.50 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3hbl h ARG 1024CO 0.02 0.77 -0.32 -0.91 -1.51 0.00 0.00 179.97 178.02 3hbl h ASN 1025N 1.20 0.00 0.31 -3.80 -0.26 -0.78 -0.02 115.58 112.23 3hbl h ASN 1025Ca 0.40 0.00 -0.33 0.00 -0.56 0.00 0.00 56.30 55.81 3hbl h ASN 1025Cb 0.07 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.30 3hbl h ASN 1025CO -0.14 0.32 -1.85 1.67 -1.06 0.00 0.00 177.43 176.38 3hbl n GLN 1026N -3.81 0.70 0.00 0.81 7.27 -0.56 -4.67 117.38 117.12 3hbl n GLN 1026Ca -0.01 0.28 0.00 0.00 0.07 0.00 0.00 57.00 57.34 3hbl n GLN 1026Cb 0.40 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.30 3hbl n GLN 1026CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3hbl n TYR 1027N -3.27 0.00 -4.25 3.69 0.53 0.04 -4.78 117.16 109.12 3hbl n TYR 1027Ca -0.24 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.64 3hbl n TYR 1027Cb 1.05 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.36 3hbl n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3hbl n GLY 1028N 0.42 -1.32 3.56 2.72 0.00 -0.02 -4.10 105.19 106.45 3hbl n GLY 1028Ca 0.00 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 3hbl n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hbl s ASN 1029N -4.00 5.39 0.48 1.61 3.04 -1.26 -4.59 114.94 115.61 3hbl s ASN 1029Ca 0.00 -0.66 0.32 0.00 0.04 0.00 0.00 52.86 52.56 3hbl s ASN 1029Cb 0.00 -2.56 1.47 0.00 -1.54 0.00 0.00 41.25 38.62 3hbl s ASN 1029CO 0.00 -2.49 1.96 -0.07 -3.04 0.00 0.00 177.10 173.46 3hbl h LEU 1030N 16.81 0.00 -1.89 3.21 3.38 -1.83 -2.95 115.31 132.03 3hbl h LEU 1030Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3hbl h LEU 1030Cb 1.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 3hbl h LEU 1030CO 1.25 0.00 -0.10 0.77 0.09 0.00 0.00 178.44 180.45 3hbl h SER 1031N 0.00 0.00 0.88 -0.43 4.64 -1.87 -2.53 113.55 114.23 3hbl h SER 1031Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3hbl h SER 1031Cb 0.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 3hbl h SER 1031CO 0.00 0.10 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.66 3hbl h LEU 1032N 0.00 0.00-10.10 5.97 3.38 -1.86 -3.38 115.31 109.32 3hbl h LEU 1032Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3hbl h LEU 1032Cb 0.36 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.25 3hbl h LEU 1032CO 0.01 0.33 0.50 -0.76 0.09 0.00 0.00 178.44 178.62 3hbl s LEU 1033N -6.99 3.62 0.51 1.67 1.43 -0.96 -4.53 118.68 113.43 3hbl s LEU 1033Ca 0.00 2.54 -0.19 0.00 -1.03 0.00 0.00 54.13 55.45 3hbl s LEU 1033Cb 0.11 -4.60 -0.08 0.00 0.03 0.00 0.00 46.19 41.65 3hbl s LEU 1033CO 0.67 -1.83 1.02 1.51 0.23 0.00 0.00 176.35 177.95 3hbl s ASP 1034N -1.46 6.37 0.11 2.29 -4.77 -1.26 -4.84 116.67 113.12 3hbl s ASP 1034Ca 0.80 1.79 -0.27 0.00 -3.30 0.00 0.00 52.55 51.58 3hbl s ASP 1034Cb -0.35 -2.54 -0.08 0.00 -1.09 0.00 0.00 42.92 38.87 3hbl s ASP 1034CO 0.37 -0.76 1.63 0.74 0.70 0.00 0.00 175.17 177.85 3hbl h THR 1035N 1.25 0.39 -0.78 2.11 2.02 -1.95 0.22 112.91 116.16 3hbl h THR 1035Ca -0.48 0.00 0.18 0.00 0.77 0.00 0.00 66.41 66.88 3hbl h THR 1035Cb 1.21 0.39 -0.13 0.00 -1.74 0.00 0.00 68.15 67.88 3hbl h THR 1035CO 0.59 0.00 0.12 -0.65 0.37 0.00 0.00 175.52 175.95 3hbl h PRO 1036N -0.47 0.17 -0.48 6.66 0.11 -1.94 0.39 132.00 136.45 3hbl h PRO 1036Ca 0.04 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.03 3hbl h PRO 1036Cb 0.52 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 3hbl h PRO 1036CO -0.18 0.11 -0.12 1.15 -0.21 0.00 0.00 178.00 178.75 3hbl h THR 1037N 0.18 1.26 -0.64 -1.15 2.02 -1.60 0.40 112.91 113.39 3hbl h THR 1037Ca 0.45 -1.23 0.01 0.00 0.77 0.00 0.00 66.41 66.41 3hbl h THR 1037Cb 0.82 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3hbl h THR 1037CO -0.62 0.43 0.42 0.15 0.37 0.00 0.00 175.52 176.27 3hbl h PHE 1038N 0.80 0.80 0.00 3.16 3.57 1.00 -1.18 116.94 125.08 3hbl h PHE 1038Ca 0.13 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 3hbl h PHE 1038Cb 0.64 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3hbl h PHE 1038CO 0.04 0.50 -1.73 1.19 -2.23 0.00 0.00 178.31 176.08 3hbl n PHE 1039N -4.44 0.49 -0.16 0.41 0.99 -0.15 -4.67 117.46 109.93 3hbl n PHE 1039Ca 0.07 0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.67 3hbl n PHE 1039Cb 0.05 -0.88 0.00 0.00 -1.00 0.00 0.00 39.48 37.65 3hbl n PHE 1039CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3hbl n PHE 1040N -2.64 0.00 -1.58 1.38 3.01 0.11 -4.49 117.46 113.24 3hbl n PHE 1040Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3hbl n PHE 1040Cb 0.78 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.25 3hbl n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hbl n GLY 1041N 0.35 2.01 3.00 1.37 0.00 -0.45 -4.39 105.19 107.07 3hbl n GLY 1041Ca 0.00 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 3hbl n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hbl s MET 1042N 0.00 0.45 0.58 1.61 -1.94 -1.26 -4.38 119.30 114.36 3hbl s MET 1042Ca 0.00 -0.43 -0.14 0.00 -1.71 0.00 0.00 55.69 53.41 3hbl s MET 1042Cb 0.00 -0.33 -0.05 0.00 2.01 0.00 0.00 34.83 36.46 3hbl s MET 1042CO 0.00 0.08 1.02 1.03 -0.01 0.00 0.00 175.02 177.14 3hbl s ARG 1043N -0.77 3.63 0.20 2.03 0.52 -1.26 -4.92 118.95 118.38 3hbl s ARG 1043Ca -0.04 0.92 -0.32 0.00 -0.52 0.00 0.00 55.73 55.77 3hbl s ARG 1043Cb -0.06 -2.09 -0.14 0.00 0.52 0.00 0.00 34.95 33.19 3hbl s ARG 1043CO 0.00 -0.54 1.41 0.09 0.02 0.00 0.00 175.30 176.28 3hbl n ASN 1044N -2.22 2.58 0.00 0.23 5.03 -1.26 -2.50 115.26 117.12 3hbl n ASN 1044Ca 0.07 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.64 3hbl n ASN 1044Cb 0.54 -1.38 0.00 0.00 -1.02 0.00 0.00 39.78 37.91 3hbl n ASN 1044CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hbl n GLY 1045N 2.45 2.98 3.77 7.41 0.00 0.76 -5.00 105.19 117.56 3hbl n GLY 1045Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3hbl n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbl s GLU 1046N -0.01 3.85 -0.16 1.61 2.12 -1.04 -4.84 118.70 120.23 3hbl s GLU 1046Ca 0.00 1.74 -0.02 0.00 0.36 0.00 0.00 54.97 57.05 3hbl s GLU 1046Cb 0.00 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 3hbl s GLU 1046CO 0.00 -0.46 -0.09 0.99 -0.54 0.00 0.00 175.26 175.15 3hbl s THR 1047N -1.55 3.28 -0.07 -1.70 2.01 -1.26 -2.49 115.64 113.85 3hbl s THR 1047Ca 0.62 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.08 3hbl s THR 1047Cb -0.28 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 3hbl s THR 1047CO 0.34 0.50 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.94 3hbl s VAL 1048N 0.62 3.08 -0.21 3.82 1.01 0.10 -5.01 120.40 123.81 3hbl s VAL 1048Ca -0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 3hbl s VAL 1048Cb -0.15 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3hbl s VAL 1048CO 0.03 0.58 -0.04 -1.61 0.00 0.00 0.00 175.10 174.05 3hbl s GLU 1049N -0.48 3.40 -0.36 2.72 2.02 -1.26 -0.99 118.70 123.75 3hbl s GLU 1049Ca 0.06 -0.62 -0.09 0.00 0.02 0.00 0.00 54.97 54.34 3hbl s GLU 1049Cb -0.12 -2.99 0.03 0.00 0.10 0.00 0.00 34.13 31.15 3hbl s GLU 1049CO 0.02 -0.16 0.16 0.42 0.02 0.00 0.00 175.26 175.72 3hbl s ILE 1050N 1.37 4.23 -0.28 -1.63 1.01 -0.02 -4.92 121.20 120.97 3hbl s ILE 1050Ca 0.05 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.41 3hbl s ILE 1050Cb -0.14 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 3hbl s ILE 1050CO -0.02 -0.22 1.43 -0.70 0.00 0.00 0.00 174.94 175.43 3hbl s GLU 1051N 1.49 3.84 -0.20 2.79 2.56 -1.26 -1.91 118.70 126.00 3hbl s GLU 1051Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 54.97 56.23 3hbl s GLU 1051Cb -0.19 -3.95 -0.20 0.00 2.00 0.00 0.00 34.13 31.79 3hbl s GLU 1051CO 0.05 -1.22 0.09 -0.89 -0.56 0.00 0.00 175.26 172.73 3hbl n ILE 1052N 6.35 1.61 -3.65 -3.70 5.41 -0.87 -4.88 119.36 119.63 3hbl n ILE 1052Ca 0.16 -0.38 -0.03 0.00 1.00 0.00 0.00 62.75 63.50 3hbl n ILE 1052Cb 0.46 -1.82 -0.01 0.00 -0.71 0.00 0.00 39.64 37.56 3hbl n ILE 1052CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hbl s ASP 1053N -6.98 -0.18 -0.52 4.38 3.68 -1.05 -5.04 116.67 110.96 3hbl s ASP 1053Ca -0.29 -0.20 -0.36 0.00 2.13 0.00 0.00 52.55 53.82 3hbl s ASP 1053Cb 0.08 0.34 -0.15 0.00 -1.45 0.00 0.00 42.92 41.75 3hbl s ASP 1053CO 0.63 -0.61 2.29 1.17 0.13 0.00 0.00 175.17 178.78 3hbl n LYS 1054N -0.39 0.59 -0.99 4.34 4.81 -1.26 -1.24 118.16 124.02 3hbl n LYS 1054Ca -0.07 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3hbl n LYS 1054Cb 0.61 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.54 3hbl n LYS 1054CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hbl n GLY 1055N 6.76 0.50 3.01 3.14 0.00 -1.26 -5.01 105.19 112.32 3hbl n GLY 1055Ca 0.49 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.24 3hbl n GLY 1055CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hbl s LYS 1056N -0.26 1.92 -0.00 1.61 -2.85 -0.37 -5.13 119.74 114.66 3hbl s LYS 1056Ca 0.00 -0.45 -0.03 0.00 -1.00 0.00 0.00 55.97 54.49 3hbl s LYS 1056Cb 0.00 -1.70 -0.00 0.00 -2.06 0.00 0.00 37.83 34.07 3hbl s LYS 1056CO 0.00 -0.10 0.06 -0.98 0.10 0.00 0.00 175.35 174.43 3hbl s ARG 1057N 1.10 0.29 -0.12 1.78 1.70 -1.26 -2.05 118.95 120.40 3hbl s ARG 1057Ca -0.05 -0.31 -0.25 0.00 -0.47 0.00 0.00 55.73 54.65 3hbl s ARG 1057Cb -0.14 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.33 3hbl s ARG 1057CO -0.02 -0.06 0.82 -0.51 -1.08 0.00 0.00 175.30 174.45 3hbl s LEU 1058N -0.94 4.24 -0.47 -1.89 1.43 -0.80 -4.95 118.68 115.30 3hbl s LEU 1058Ca -0.10 1.25 -0.07 0.00 -1.03 0.00 0.00 54.13 54.18 3hbl s LEU 1058Cb -0.06 -3.24 0.12 0.00 0.03 0.00 0.00 46.19 43.04 3hbl s LEU 1058CO 0.00 -0.30 0.32 -0.63 0.23 0.00 0.00 176.35 175.97 3hbl s ILE 1059N 1.61 3.91 -0.17 -0.59 -1.09 -1.26 -0.84 121.20 122.78 3hbl s ILE 1059Ca 0.40 -1.99 -0.07 0.00 -2.23 0.00 0.00 60.65 56.77 3hbl s ILE 1059Cb -0.17 -3.60 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 3hbl s ILE 1059CO 0.16 -0.77 0.05 -0.63 -1.23 0.00 0.00 174.94 172.53 3hbl s ILE 1060N 1.15 4.72 -0.13 2.92 1.01 -0.16 -1.90 121.20 128.80 3hbl s ILE 1060Ca 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3hbl s ILE 1060Cb -0.24 -3.11 0.01 0.00 0.01 0.00 0.00 42.46 39.13 3hbl s ILE 1060CO -0.02 0.48 -0.19 -0.75 0.00 0.00 0.00 174.94 174.46 3hbl s LYS 1061N 0.26 2.66 -0.34 2.79 2.20 -0.22 0.03 119.74 127.11 3hbl s LYS 1061Ca 0.03 -0.72 -0.22 0.00 -0.36 0.00 0.00 55.97 54.70 3hbl s LYS 1061Cb -0.12 -2.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 3hbl s LYS 1061CO 0.00 -0.06 0.72 -1.17 -0.36 0.00 0.00 175.35 174.48 3hbl s LEU 1062N 0.97 4.15 -0.18 5.43 0.20 -1.04 -1.06 118.68 127.15 3hbl s LEU 1062Ca -0.05 0.39 -0.19 0.00 0.69 0.00 0.00 54.13 54.97 3hbl s LEU 1062Cb -0.15 -2.94 -0.16 0.00 -0.43 0.00 0.00 46.19 42.51 3hbl s LEU 1062CO -0.03 -0.63 0.20 -0.33 -0.29 0.00 0.00 176.35 175.27 3hbl h GLU 1063N 8.34 0.00 -2.60 1.98 5.08 -1.07 0.22 114.58 126.53 3hbl h GLU 1063Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 3hbl h GLU 1063Cb 1.10 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.21 3hbl h GLU 1063CO 0.87 0.75 0.23 -0.08 -1.00 0.00 0.00 179.01 179.78 3hbl s THR 1064N -2.28 0.00 -0.12 1.13 -1.32 -1.20 -3.94 115.64 107.91 3hbl s THR 1064Ca -0.23 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.26 3hbl s THR 1064Cb 0.04 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.04 3hbl s THR 1064CO 0.50 0.00 -0.16 -0.63 -2.21 0.00 0.00 174.62 172.12 3hbl s ILE 1065N -2.83 1.56 1.12 5.08 1.01 -1.26 -0.56 121.20 125.31 3hbl s ILE 1065Ca -0.03 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 3hbl s ILE 1065Cb -0.01 -1.42 0.25 0.00 0.01 0.00 0.00 42.46 41.29 3hbl s ILE 1065CO -0.05 0.45 1.11 -0.94 0.00 0.00 0.00 174.94 175.52 3hbl s SER 1066N 1.05 1.65 0.76 3.58 1.04 0.46 -4.95 113.70 117.30 3hbl s SER 1066Ca -0.05 0.80 -0.12 0.00 0.48 0.00 0.00 55.95 57.07 3hbl s SER 1066Cb -0.15 -1.19 0.05 0.00 0.10 0.00 0.00 66.02 64.83 3hbl s SER 1066CO -0.03 -3.69 1.11 -1.61 0.98 0.00 0.00 173.24 170.00 3hbl s GLU 1067N -5.28 2.19 0.24 4.02 0.41 -1.26 -4.49 118.70 114.54 3hbl s GLU 1067Ca 0.69 1.33 -0.30 0.00 -0.41 0.00 0.00 54.97 56.28 3hbl s GLU 1067Cb -0.13 -1.88 -0.10 0.00 -1.78 0.00 0.00 34.13 30.25 3hbl s GLU 1067CO 0.56 -1.71 1.39 -2.14 -0.49 0.00 0.00 175.26 172.87 3hbl s PRO 1068N -4.58 4.31 0.74 0.39 0.02 -1.26 -4.39 135.00 130.23 3hbl s PRO 1068Ca 0.65 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.76 3hbl s PRO 1068Cb -0.20 -3.13 0.18 0.00 0.02 0.00 0.00 34.50 31.37 3hbl s PRO 1068CO 0.52 -0.35 0.75 -0.40 -0.33 0.00 0.00 177.00 177.18 3hbl n ASP 1069N 2.36 -1.15 0.14 2.53 3.85 -0.45 0.46 116.55 124.28 3hbl n ASP 1069Ca 0.06 -1.04 0.08 0.00 -0.71 0.00 0.00 54.79 53.18 3hbl n ASP 1069Cb 0.41 -0.64 0.43 0.00 -1.35 0.00 0.00 41.12 39.97 3hbl n ASP 1069CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3hbl n GLU 1070N -3.38 0.10 -0.11 0.11 0.00 -0.70 -0.99 120.64 115.68 3hbl n GLU 1070Ca 0.10 0.59 0.10 0.00 0.00 0.00 0.00 57.16 57.95 3hbl n GLU 1070Cb 0.37 -1.96 0.15 0.00 0.00 0.00 0.00 31.44 30.01 3hbl n GLU 1070CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3hbl n ASN 1071N -2.08 3.06 0.00 -1.84 4.13 -1.26 -4.85 115.26 112.41 3hbl n ASN 1071Ca -0.01 -1.90 0.00 0.00 1.68 0.00 0.00 54.58 54.34 3hbl n ASN 1071Cb 0.14 -0.15 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 3hbl n ASN 1071CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hbl n GLY 1072N 1.23 0.71 3.61 7.41 0.00 -0.16 -4.89 105.19 113.10 3hbl n GLY 1072Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 3hbl n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hbl s ASN 1073N -2.40 6.75 0.29 1.61 0.01 -1.26 -0.80 114.94 119.14 3hbl s ASN 1073Ca 0.00 0.71 -0.09 0.00 -0.71 0.00 0.00 52.86 52.77 3hbl s ASN 1073Cb 0.00 -2.49 -0.07 0.00 0.41 0.00 0.00 41.25 39.10 3hbl s ASN 1073CO 0.00 -0.88 0.62 -0.13 -1.51 0.00 0.00 177.10 175.19 3hbl s ARG 1074N 3.58 3.79 -0.18 -0.60 0.52 -0.30 -1.34 118.95 124.41 3hbl s ARG 1074Ca 0.41 0.30 -0.03 0.00 -0.52 0.00 0.00 55.73 55.89 3hbl s ARG 1074Cb -0.12 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.77 3hbl s ARG 1074CO 0.18 0.21 -0.06 0.99 0.02 0.00 0.00 175.30 176.64 3hbl s THR 1075N -2.00 3.49 -0.12 0.02 2.01 -1.26 -1.98 115.64 115.80 3hbl s THR 1075Ca 0.48 -0.48 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 3hbl s THR 1075Cb -0.11 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 3hbl s THR 1075CO 0.24 0.46 0.17 -0.63 -0.69 0.00 0.00 174.62 174.18 3hbl s ILE 1076N 0.90 5.43 -0.40 1.82 1.01 -0.19 -0.40 121.20 129.37 3hbl s ILE 1076Ca -0.01 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 60.84 3hbl s ILE 1076Cb -0.15 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.93 3hbl s ILE 1076CO 0.01 0.57 0.23 -0.31 0.00 0.00 0.00 174.94 175.44 3hbl s TYR 1077N -0.71 3.30 0.36 3.97 1.51 0.27 -2.22 117.35 123.83 3hbl s TYR 1077Ca 0.15 -1.36 0.07 0.00 -1.01 0.00 0.00 57.07 54.92 3hbl s TYR 1077Cb -0.12 -2.76 -0.02 0.00 -0.11 0.00 0.00 41.96 38.95 3hbl s TYR 1077CO 0.04 -0.78 0.34 0.71 -1.11 0.00 0.00 175.55 174.75 3hbl s TYR 1078N 1.46 2.87 -0.09 2.71 1.51 0.23 -0.43 117.35 125.61 3hbl s TYR 1078Ca 0.02 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 3hbl s TYR 1078Cb -0.22 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.72 3hbl s TYR 1078CO 0.03 0.07 -0.09 0.00 -1.11 0.00 0.00 175.55 174.45 3hbl s ALA 1079N -2.34 1.24 -0.23 3.71 0.00 -0.22 -1.19 121.76 122.73 3hbl s ALA 1079Ca 0.44 -0.45 -0.00 0.00 0.00 0.00 0.00 51.96 51.94 3hbl s ALA 1079Cb -0.06 -0.75 0.07 0.00 0.00 0.00 0.00 23.12 22.38 3hbl s ALA 1079CO 0.27 -0.20 -0.01 1.41 0.00 0.00 0.00 175.76 177.23 3hbl s MET 1080N 1.29 1.24 -1.20 0.00 0.00 -0.91 -1.06 119.30 118.67 3hbl s MET 1080Ca -0.03 -0.86 -0.14 0.00 0.00 0.00 0.00 55.69 54.65 3hbl s MET 1080Cb -0.14 -2.42 -0.01 0.00 0.00 0.00 0.00 34.83 32.27 3hbl s MET 1080CO -0.03 -0.66 0.72 0.09 0.00 0.00 0.00 175.02 175.13 3hbl n ASN 1081N 4.78 -3.96 -2.03 1.11 3.02 -0.80 -2.89 115.26 114.49 3hbl n ASN 1081Ca -0.10 -0.98 -0.17 0.00 -0.03 0.00 0.00 54.58 53.30 3hbl n ASN 1081Cb 0.45 -3.47 -0.00 0.00 -0.61 0.00 0.00 39.78 36.14 3hbl n ASN 1081CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbl n GLY 1082N -1.71 -0.32 2.72 7.41 0.00 -1.26 -5.00 105.19 107.03 3hbl n GLY 1082Ca -0.16 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 3hbl n GLY 1082CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hbl s GLN 1083N -4.96 0.47 0.18 1.61 -0.21 -1.14 -5.12 119.66 110.49 3hbl s GLN 1083Ca 0.04 -0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.03 3hbl s GLN 1083Cb -0.02 -1.50 -0.17 0.00 1.00 0.00 0.00 33.01 32.33 3hbl s GLN 1083CO 0.05 -0.49 0.77 0.00 -2.12 0.00 0.00 175.29 173.50 3hbl n ALA 1084N 5.15 -2.27 -3.20 6.09 0.00 -1.26 -2.14 120.51 122.89 3hbl n ALA 1084Ca -0.07 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.70 3hbl n ALA 1084Cb 0.49 -1.76 -0.11 0.00 0.00 0.00 0.00 19.45 18.07 3hbl n ALA 1084CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hbl s ARG 1085N -0.86 0.37 -0.06 0.00 6.06 -0.33 -4.88 118.95 119.25 3hbl s ARG 1085Ca 0.68 0.41 0.00 0.00 -2.50 0.00 0.00 55.73 54.33 3hbl s ARG 1085Cb -0.93 0.18 0.02 0.00 0.06 0.00 0.00 34.95 34.28 3hbl s ARG 1085CO 0.56 -0.05 -0.03 1.03 -2.50 0.00 0.00 175.30 174.32 3hbl s ARG 1086N 0.12 0.78 0.07 5.12 0.52 -1.26 -0.60 118.95 123.70 3hbl s ARG 1086Ca -0.00 -0.03 0.06 0.00 -0.52 0.00 0.00 55.73 55.23 3hbl s ARG 1086Cb -0.02 -0.93 -0.03 0.00 0.52 0.00 0.00 34.95 34.49 3hbl s ARG 1086CO 0.01 -0.18 -0.16 0.42 0.02 0.00 0.00 175.30 175.41 3hbl s ILE 1087N 1.37 1.28 -0.15 1.52 -1.09 -0.94 -4.86 121.20 118.33 3hbl s ILE 1087Ca -0.04 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.10 3hbl s ILE 1087Cb -0.13 -1.19 -0.00 0.00 -1.58 0.00 0.00 42.46 39.55 3hbl s ILE 1087CO -0.03 -0.11 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.11 3hbl s TYR 1088N -1.13 2.78 -0.08 3.97 1.51 -1.26 -1.02 117.35 122.12 3hbl s TYR 1088Ca 0.01 -0.97 0.02 0.00 -1.01 0.00 0.00 57.07 55.11 3hbl s TYR 1088Cb -0.09 -1.87 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3hbl s TYR 1088CO 0.02 -0.43 -0.11 0.42 -1.11 0.00 0.00 175.55 174.34 3hbl s ILE 1089N 0.72 1.12 0.14 2.71 1.09 -0.84 -4.98 121.20 121.17 3hbl s ILE 1089Ca -0.07 -0.44 -0.31 0.00 -1.10 0.00 0.00 60.65 58.74 3hbl s ILE 1089Cb -0.16 -1.06 -0.08 0.00 -1.06 0.00 0.00 42.46 40.11 3hbl s ILE 1089CO 0.01 0.36 1.31 -0.75 -0.10 0.00 0.00 174.94 175.78 3hbl s LYS 1090N 0.96 4.38 -0.06 2.79 2.20 -1.26 -1.15 119.74 127.59 3hbl s LYS 1090Ca -0.09 2.00 -0.26 0.00 -0.36 0.00 0.00 55.97 57.26 3hbl s LYS 1090Cb -0.15 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.90 3hbl s LYS 1090CO 0.00 -0.31 0.82 0.34 -0.36 0.00 0.00 175.35 175.85 3hbl s ASP 1091N 0.72 7.13 -1.47 1.43 3.68 0.02 -4.93 116.67 123.25 3hbl s ASP 1091Ca 0.60 1.36 -0.08 0.00 2.13 0.00 0.00 52.55 56.56 3hbl s ASP 1091Cb -0.35 -2.48 0.02 0.00 -1.45 0.00 0.00 42.92 38.66 3hbl s ASP 1091CO 0.34 -0.21 2.67 -0.62 0.13 0.00 0.00 175.17 177.47 3hbl n GLU 1092N 4.04 4.17 -3.34 4.34 -0.58 -1.26 -4.60 120.64 123.40 3hbl n GLU 1092Ca 0.02 -2.85 -0.16 0.00 -0.42 0.00 0.00 57.16 53.75 3hbl n GLU 1092Cb 0.51 -2.71 0.08 0.00 -0.57 0.00 0.00 31.44 28.75 3hbl n GLU 1092CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3hbl n ASN 1093N 2.63 -2.11 -1.04 1.62 5.15 -1.26 -4.93 115.26 115.33 3hbl n ASN 1093Ca 0.70 -0.58 0.09 0.00 -0.60 0.00 0.00 54.58 54.20 3hbl n ASN 1093Cb 0.24 -4.84 0.23 0.00 -0.53 0.00 0.00 39.78 34.88 3hbl n ASN 1093CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3hbl n VAL 1094N -3.92 0.85 0.00 3.44 0.31 -1.26 -4.54 118.33 113.21 3hbl n VAL 1094Ca -0.27 -0.92 0.00 0.00 -0.01 0.00 0.00 64.34 63.14 3hbl n VAL 1094Cb 0.66 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 34.23 3hbl n VAL 1094CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3hbl n HIS 1095N 1.20 0.00 0.00 3.52 8.25 -1.26 -5.06 115.22 121.87 3hbl n HIS 1095Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 3hbl n HIS 1095Cb 0.54 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3hbl n HIS 1095CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hbl n THR 1096N -0.19 0.00 0.00 1.59 -1.04 -1.26 -3.52 114.28 109.86 3hbl n THR 1096Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hbl n THR 1096Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hbl n THR 1096CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hbl n ASN 1097N 0.67 2.19 -0.76 8.00 2.04 -1.26 -4.78 115.26 121.36 3hbl n ASN 1097Ca 0.00 -0.07 0.00 0.00 -0.44 0.00 0.00 54.58 54.07 3hbl n ASN 1097Cb 0.00 0.59 0.00 0.00 -2.53 0.00 0.00 39.78 37.84 3hbl n ASN 1097CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3hbl n ALA 1098N -0.81 1.77 -2.01 -2.53 0.00 -1.23 -4.57 120.51 111.13 3hbl n ALA 1098Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3hbl n ALA 1098Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3hbl n ALA 1098CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hbl s ASN 1099N 0.23 6.79 -0.27 0.00 -0.87 -1.26 -4.47 114.94 115.09 3hbl s ASN 1099Ca 0.00 2.47 -0.24 0.00 -1.57 0.00 0.00 52.86 53.52 3hbl s ASN 1099Cb 0.00 -2.61 -0.00 0.00 -0.02 0.00 0.00 41.25 38.62 3hbl s ASN 1099CO 0.00 -0.63 0.79 -0.69 -2.57 0.00 0.00 177.10 174.00 3hbl s VAL 1100N 0.45 4.83 0.06 1.60 1.01 0.17 -4.82 120.40 123.71 3hbl s VAL 1100Ca 0.61 1.38 -0.27 0.00 0.00 0.00 0.00 61.98 63.70 3hbl s VAL 1100Cb -0.39 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 3hbl s VAL 1100CO 0.37 -0.13 0.86 -0.54 0.00 0.00 0.00 175.10 175.65 3hbl s LYS 1101N 2.86 4.58 0.47 2.72 -0.14 -1.26 -1.71 119.74 127.25 3hbl s LYS 1101Ca 0.33 1.24 -0.24 0.00 -1.36 0.00 0.00 55.97 55.93 3hbl s LYS 1101Cb -0.15 -3.38 -0.07 0.00 -1.68 0.00 0.00 37.83 32.55 3hbl s LYS 1101CO 0.09 0.21 1.36 -1.25 -0.76 0.00 0.00 175.35 175.00 3hbl s PRO 1102N 0.12 3.60 0.40 -1.68 0.04 -1.26 -4.83 135.00 131.39 3hbl s PRO 1102Ca 0.43 2.25 -0.24 0.00 0.04 0.00 0.00 61.00 63.48 3hbl s PRO 1102Cb -0.21 -2.54 -0.09 0.00 0.04 0.00 0.00 34.50 31.70 3hbl s PRO 1102CO 0.26 -0.83 1.08 0.15 0.04 0.00 0.00 177.00 177.70 3hbl s LYS 1103N -2.55 4.11 0.14 4.56 -0.14 -1.26 -1.50 119.74 123.09 3hbl s LYS 1103Ca 0.63 1.60 -0.30 0.00 -1.36 0.00 0.00 55.97 56.55 3hbl s LYS 1103Cb -0.40 -2.56 -0.07 0.00 -1.68 0.00 0.00 37.83 33.12 3hbl s LYS 1103CO 0.50 -0.21 1.11 0.00 -0.76 0.00 0.00 175.35 175.99 3hbl s ALA 1104N -1.59 3.36 -0.45 5.17 0.00 -0.17 -4.62 121.76 123.46 3hbl s ALA 1104Ca 0.58 0.80 -0.28 0.00 0.00 0.00 0.00 51.96 53.06 3hbl s ALA 1104Cb -0.24 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.49 3hbl s ALA 1104CO 0.30 -0.26 1.75 0.34 0.00 0.00 0.00 175.76 177.90 3hbl s ASP 1105N 0.23 5.75 0.48 0.00 -1.08 -1.26 -4.87 116.67 115.92 3hbl s ASP 1105Ca 0.52 0.86 0.31 0.00 -0.52 0.00 0.00 52.55 53.72 3hbl s ASP 1105Cb -0.29 -2.53 1.24 0.00 -1.46 0.00 0.00 42.92 39.89 3hbl s ASP 1105CO 0.33 -1.90 1.91 0.11 0.52 0.00 0.00 175.17 176.14 3hbl h LYS 1106N 13.21 0.00 -0.80 4.34 1.57 -1.93 -2.28 116.57 130.68 3hbl h LYS 1106Ca -0.30 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.36 3hbl h LYS 1106Cb 1.15 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.39 3hbl h LYS 1106CO 1.11 0.00 0.15 -1.13 -0.57 0.00 0.00 179.45 179.01 3hbl n SER 1107N -2.88 4.11 -3.91 0.86 3.41 -1.26 -4.82 113.62 109.13 3hbl n SER 1107Ca 0.01 -2.82 -0.28 0.00 -0.26 0.00 0.00 58.87 55.52 3hbl n SER 1107Cb 0.30 -0.67 -0.17 0.00 -0.26 0.00 0.00 64.21 63.41 3hbl n SER 1107CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hbl s ASN 1108N -0.58 2.54 0.34 4.04 3.84 -0.86 -5.03 114.94 119.23 3hbl s ASN 1108Ca 0.39 -0.49 0.02 0.00 0.21 0.00 0.00 52.86 52.99 3hbl s ASN 1108Cb 0.31 -0.91 0.60 0.00 -0.55 0.00 0.00 41.25 40.70 3hbl s ASN 1108CO 0.10 -0.15 1.94 1.55 -2.79 0.00 0.00 177.10 177.76 3hbl h PRO 1109N 8.14 0.73 0.00 0.43 0.13 -1.87 -2.39 132.00 137.16 3hbl h PRO 1109Ca -0.28 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 3hbl h PRO 1109Cb 1.12 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 3hbl h PRO 1109CO 0.41 0.58 -0.12 0.66 -0.23 0.00 0.00 178.00 179.30 3hbl h SER 1110N 0.73 0.00 -3.23 1.44 4.64 -1.95 -3.42 113.55 111.76 3hbl h SER 1110Ca 0.18 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.92 3hbl h SER 1110Cb 0.10 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 3hbl h SER 1110CO -0.02 0.12 0.69 -1.00 -0.87 0.00 0.00 176.83 175.76 3hbl s HIS 1111N -4.11 3.26 -0.24 4.77 3.76 -0.90 -2.19 115.29 119.65 3hbl s HIS 1111Ca -0.02 1.24 -0.08 0.00 -0.15 0.00 0.00 55.06 56.05 3hbl s HIS 1111Cb 0.13 -3.33 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 3hbl s HIS 1111CO 0.58 -0.55 0.09 0.42 -0.85 0.00 0.00 174.74 174.44 3hbl s ILE 1112N 3.22 4.63 0.34 0.60 1.01 -0.85 -4.90 121.20 125.25 3hbl s ILE 1112Ca 0.41 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 61.07 3hbl s ILE 1112Cb -0.14 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 3hbl s ILE 1112CO 0.10 0.34 0.22 -0.83 0.00 0.00 0.00 174.94 174.77 3hbl s GLY 1113N 1.38 1.85 -0.10 6.18 0.00 -1.26 -1.54 107.32 113.82 3hbl s GLY 1113Ca 0.06 -1.73 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 3hbl s GLY 1113CO 0.05 -1.66 1.13 0.00 0.00 0.00 0.00 173.10 172.62 3hbl s ALA 1114N -2.36 3.51 0.14 3.20 0.00 -0.04 -4.88 121.76 121.33 3hbl s ALA 1114Ca 0.39 0.48 0.11 0.00 0.00 0.00 0.00 51.96 52.93 3hbl s ALA 1114Cb -0.04 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.69 3hbl s ALA 1114CO 0.25 -0.80 1.47 1.96 0.00 0.00 0.00 175.76 178.64 3hbl h GLN 1115N 7.44 0.00 -4.17 0.00 1.08 -1.92 0.40 115.11 117.94 3hbl h GLN 1115Ca -0.30 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.78 3hbl h GLN 1115Cb 1.14 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.42 3hbl h GLN 1115CO 0.90 0.73 -0.62 -1.64 -0.95 0.00 0.00 178.83 177.25 3hbl s MET 1116N -3.15 0.68 0.67 1.46 -1.94 -1.26 -4.81 119.30 110.95 3hbl s MET 1116Ca 0.00 -1.19 -0.16 0.00 -1.71 0.00 0.00 55.69 52.64 3hbl s MET 1116Cb 0.11 0.24 0.01 0.00 2.01 0.00 0.00 34.83 37.19 3hbl s MET 1116CO 0.78 -0.15 1.16 -1.25 -0.01 0.00 0.00 175.02 175.54 3hbl s PRO 1117N -3.92 2.59 0.00 2.03 0.04 -1.26 -4.01 135.00 130.47 3hbl s PRO 1117Ca 0.08 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.71 3hbl s PRO 1117Cb 0.07 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.71 3hbl s PRO 1117CO -0.09 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 175.91 3hbl n GLY 1118N -0.02 -0.53 3.23 0.56 0.00 0.12 -4.57 105.19 103.98 3hbl n GLY 1118Ca 0.12 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 45.03 3hbl n GLY 1118CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hbl s SER 1119N -4.00 2.24 -0.18 1.61 0.01 0.10 0.21 113.70 113.69 3hbl s SER 1119Ca 0.00 -0.58 -0.27 0.00 1.31 0.00 0.00 55.95 56.40 3hbl s SER 1119Cb 0.00 -0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 3hbl s SER 1119CO 0.00 0.07 0.94 -0.69 0.41 0.00 0.00 173.24 173.97 3hbl s VAL 1120N -1.00 4.79 -0.18 3.43 1.01 0.45 -0.40 120.40 128.50 3hbl s VAL 1120Ca 0.05 1.85 -0.04 0.00 0.00 0.00 0.00 61.98 63.84 3hbl s VAL 1120Cb -0.09 -4.23 -0.22 0.00 0.00 0.00 0.00 36.38 31.83 3hbl s VAL 1120CO 0.03 -0.06 0.12 0.41 0.00 0.00 0.00 175.10 175.60 3hbl n THR 1121N 4.95 1.66 -3.65 3.92 -1.04 0.16 -0.32 114.28 119.95 3hbl n THR 1121Ca 0.08 -0.60 -0.05 0.00 -2.04 0.00 0.00 64.05 61.44 3hbl n THR 1121Cb 0.48 -1.63 -0.07 0.00 -1.82 0.00 0.00 70.33 67.29 3hbl n THR 1121CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3hbl s GLU 1122N -2.54 0.45 -0.30 -2.82 2.12 -1.05 -4.69 118.70 109.87 3hbl s GLU 1122Ca -0.28 1.25 -0.29 0.00 0.36 0.00 0.00 54.97 56.01 3hbl s GLU 1122Cb 0.08 0.61 0.01 0.00 0.26 0.00 0.00 34.13 35.09 3hbl s GLU 1122CO 0.69 -0.23 1.18 0.54 -0.54 0.00 0.00 175.26 176.90 3hbl s VAL 1123N 2.76 4.35 -1.02 3.70 0.11 -1.26 -1.67 120.40 127.37 3hbl s VAL 1123Ca -0.04 1.54 0.20 0.00 -2.93 0.00 0.00 61.98 60.75 3hbl s VAL 1123Cb -0.12 -4.29 -0.20 0.00 -1.53 0.00 0.00 36.38 30.24 3hbl s VAL 1123CO -0.16 -0.47 0.86 0.29 -3.33 0.00 0.00 175.10 172.29 3hbl n LYS 1124N 7.04 0.52 -4.06 1.54 5.02 -0.39 -4.97 118.16 122.86 3hbl n LYS 1124Ca 0.13 -0.08 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 3hbl n LYS 1124Cb 0.47 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 3hbl n LYS 1124CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hbl s VAL 1125N -2.83 0.27 0.41 -0.18 -7.23 -1.20 -4.96 120.40 104.68 3hbl s VAL 1125Ca 0.08 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 3hbl s VAL 1125Cb 0.15 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 36.02 3hbl s VAL 1125CO 0.79 -0.76 0.06 -0.94 -0.31 0.00 0.00 175.10 173.94 3hbl s SER 1126N -2.31 3.17 0.21 4.85 1.04 -1.26 -4.99 113.70 114.40 3hbl s SER 1126Ca -0.02 -1.53 -0.31 0.00 0.48 0.00 0.00 55.95 54.57 3hbl s SER 1126Cb -0.00 0.18 -0.11 0.00 0.10 0.00 0.00 66.02 66.19 3hbl s SER 1126CO -0.05 -0.74 1.64 -0.69 0.98 0.00 0.00 173.24 174.38 3hbl s VAL 1127N -3.07 2.25 0.00 5.02 1.01 -1.26 -2.71 120.40 121.63 3hbl s VAL 1127Ca 0.25 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3hbl s VAL 1127Cb 0.05 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.32 3hbl s VAL 1127CO 0.13 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.85 3hbl n GLY 1128N 3.54 0.59 3.78 4.51 0.00 0.17 -5.01 105.19 112.78 3hbl n GLY 1128Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3hbl n GLY 1128CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbl s GLU 1129N -0.97 4.41 -0.11 1.61 2.12 -1.10 -4.76 118.70 119.90 3hbl s GLU 1129Ca 0.00 1.47 -0.18 0.00 0.36 0.00 0.00 54.97 56.62 3hbl s GLU 1129Cb 0.00 -2.74 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 3hbl s GLU 1129CO 0.00 0.09 0.48 0.99 -0.54 0.00 0.00 175.26 176.28 3hbl s THR 1130N -1.58 5.17 0.11 -1.70 2.01 -1.26 -0.97 115.64 117.42 3hbl s THR 1130Ca 0.53 0.96 0.08 0.00 0.31 0.00 0.00 61.69 63.57 3hbl s THR 1130Cb -0.22 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 3hbl s THR 1130CO 0.27 0.34 -0.21 0.68 -0.69 0.00 0.00 174.62 175.02 3hbl s VAL 1131N 0.51 1.74 0.55 3.82 -7.23 -0.16 -5.00 120.40 114.63 3hbl s VAL 1131Ca 0.26 -1.57 -0.05 0.00 -1.81 0.00 0.00 61.98 58.81 3hbl s VAL 1131Cb -0.15 -1.59 -0.00 0.00 0.56 0.00 0.00 36.38 35.20 3hbl s VAL 1131CO 0.11 -0.07 0.85 -0.54 -0.31 0.00 0.00 175.10 175.13 3hbl s LYS 1132N -1.97 3.05 0.38 4.82 1.02 -1.26 -1.93 119.74 123.86 3hbl s LYS 1132Ca 0.07 -0.04 -0.26 0.00 0.02 0.00 0.00 55.97 55.76 3hbl s LYS 1132Cb -0.10 -2.33 -0.09 0.00 -0.52 0.00 0.00 37.83 34.79 3hbl s LYS 1132CO 0.04 -0.55 1.24 0.00 -0.92 0.00 0.00 175.35 175.16 3hbl s ALA 1133N -2.88 3.27 0.00 5.17 0.00 -1.26 -2.81 121.76 123.25 3hbl s ALA 1133Ca 0.52 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3hbl s ALA 1133Cb -0.10 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3hbl s ALA 1133CO 0.44 -0.64 0.00 0.09 0.00 0.00 0.00 175.76 175.65 3hbl n ASN 1134N 0.29 -3.98 -4.72 0.00 3.02 0.27 -4.96 115.26 105.19 3hbl n ASN 1134Ca 0.03 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 3hbl n ASN 1134Cb 0.44 -1.60 -0.03 0.00 -0.61 0.00 0.00 39.78 37.98 3hbl n ASN 1134CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 3hbl s GLN 1135N -0.74 4.52 0.16 3.52 0.74 -1.12 -4.73 119.66 122.01 3hbl s GLN 1135Ca 0.00 1.63 -0.33 0.00 0.05 0.00 0.00 55.36 56.71 3hbl s GLN 1135Cb 0.00 -3.37 -0.13 0.00 1.10 0.00 0.00 33.01 30.62 3hbl s GLN 1135CO 0.00 -0.09 1.69 -0.35 -0.55 0.00 0.00 175.29 175.99 3hbl n PRO 1136N 3.52 2.50 -0.04 1.67 -0.04 -1.26 -1.46 135.00 139.89 3hbl n PRO 1136Ca 0.06 0.90 -0.04 0.00 -0.04 0.00 0.00 63.50 64.39 3hbl n PRO 1136Cb 0.48 -2.73 -0.07 0.00 -0.04 0.00 0.00 33.50 31.14 3hbl n PRO 1136CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hbl n LEU 1137N 4.17 0.00 -3.63 1.53 4.77 0.73 -4.80 117.00 119.76 3hbl n LEU 1137Ca 0.17 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 3hbl n LEU 1137Cb 0.33 0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 3hbl n LEU 1137CO 0.65 0.20 0.41 -0.22 -1.33 0.00 0.00 177.39 177.10 3hbl s LEU 1138N -4.58 -0.71 -0.11 2.23 2.96 -1.06 -1.27 118.68 116.13 3hbl s LEU 1138Ca -0.04 1.42 0.01 0.00 -0.22 0.00 0.00 54.13 55.30 3hbl s LEU 1138Cb 0.03 2.44 -0.01 0.00 0.50 0.00 0.00 46.19 49.14 3hbl s LEU 1138CO 0.35 -0.25 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.35 3hbl s ILE 1139N 0.35 2.84 0.31 6.68 1.01 -0.67 0.81 121.20 132.53 3hbl s ILE 1139Ca -0.00 -0.75 0.11 0.00 0.00 0.00 0.00 60.65 60.01 3hbl s ILE 1139Cb -0.05 -2.16 -0.06 0.00 0.01 0.00 0.00 42.46 40.20 3hbl s ILE 1139CO 0.01 0.54 -0.15 0.42 0.00 0.00 0.00 174.94 175.76 3hbl s THR 1140N 0.20 2.36 -0.14 2.92 -4.23 -0.07 0.36 115.64 117.04 3hbl s THR 1140Ca -0.09 -2.31 -0.01 0.00 -1.18 0.00 0.00 61.69 58.09 3hbl s THR 1140Cb -0.16 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.27 3hbl s THR 1140CO 0.06 -0.31 -0.01 -0.70 -0.54 0.00 0.00 174.62 173.12 3hbl s GLU 1141N -3.56 0.93 -0.10 3.99 2.12 0.47 -1.89 118.70 120.66 3hbl s GLU 1141Ca 0.31 -0.27 -0.08 0.00 0.36 0.00 0.00 54.97 55.29 3hbl s GLU 1141Cb -0.02 -1.68 -0.03 0.00 0.26 0.00 0.00 34.13 32.67 3hbl s GLU 1141CO 0.16 -0.45 -0.16 0.00 -0.54 0.00 0.00 175.26 174.27 3hbl n ALA 1142N 5.02 0.41 -3.24 6.30 0.00 -0.84 -0.73 120.51 127.44 3hbl n ALA 1142Ca -0.09 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.66 3hbl n ALA 1142Cb 0.48 0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.87 3hbl n ALA 1142CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hbl n MET 1143N -3.84 0.84 -1.28 0.00 2.81 -1.26 -4.69 117.12 109.70 3hbl n MET 1143Ca -0.07 -3.36 -0.10 0.00 -1.81 0.00 0.00 57.70 52.37 3hbl n MET 1143Cb 0.24 -1.36 -0.04 0.00 -0.71 0.00 0.00 33.22 31.35 3hbl n MET 1143CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3hbl n LYS 1144N 1.48 -1.60 -5.16 0.03 5.02 -1.26 -4.99 118.16 111.69 3hbl n LYS 1144Ca 0.23 0.82 -0.31 0.00 -2.02 0.00 0.00 58.31 57.02 3hbl n LYS 1144Cb 0.51 -5.17 -0.17 0.00 -0.02 0.00 0.00 35.03 30.18 3hbl n LYS 1144CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3hbl s MET 1145N -2.74 2.89 -0.33 1.97 -1.94 -1.26 -5.11 119.30 112.78 3hbl s MET 1145Ca 0.00 -0.83 -0.15 0.00 -1.71 0.00 0.00 55.69 53.00 3hbl s MET 1145Cb 0.00 -2.20 -0.02 0.00 2.01 0.00 0.00 34.83 34.62 3hbl s MET 1145CO 0.00 0.17 0.36 -1.21 -0.01 0.00 0.00 175.02 174.33 3hbl s GLU 1146N 0.35 3.63 -0.08 2.03 2.02 -1.26 -1.98 118.70 123.41 3hbl s GLU 1146Ca -0.18 -0.36 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 3hbl s GLU 1146Cb -0.18 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.23 3hbl s GLU 1146CO 0.08 -0.49 0.09 0.95 0.02 0.00 0.00 175.26 175.92 3hbl s THR 1147N 2.02 4.99 -0.26 3.63 -4.23 -0.79 -4.97 115.64 116.03 3hbl s THR 1147Ca 0.12 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.48 3hbl s THR 1147Cb -0.16 -3.19 -0.02 0.00 1.34 0.00 0.00 72.50 70.47 3hbl s THR 1147CO 0.11 0.54 0.06 0.42 -0.54 0.00 0.00 174.62 175.21 3hbl s THR 1148N -1.04 4.13 -0.13 3.99 -4.23 -1.26 -0.89 115.64 116.21 3hbl s THR 1148Ca 0.17 -0.32 -0.29 0.00 -1.18 0.00 0.00 61.69 60.08 3hbl s THR 1148Cb -0.12 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.74 3hbl s THR 1148CO 0.07 0.29 0.98 -0.63 -0.54 0.00 0.00 174.62 174.80 3hbl s ILE 1149N 1.58 4.78 0.21 2.99 1.01 0.24 -4.95 121.20 127.06 3hbl s ILE 1149Ca 0.06 1.98 0.09 0.00 0.00 0.00 0.00 60.65 62.78 3hbl s ILE 1149Cb -0.15 -4.29 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3hbl s ILE 1149CO 0.03 -0.02 -0.06 -1.10 0.00 0.00 0.00 174.94 173.79 3hbl s GLN 1150N 2.19 2.16 0.02 2.79 -0.21 -1.26 -0.20 119.66 125.15 3hbl s GLN 1150Ca 0.46 -1.30 -0.30 0.00 0.02 0.00 0.00 55.36 54.23 3hbl s GLN 1150Cb -0.18 -2.17 -0.05 0.00 1.00 0.00 0.00 33.01 31.61 3hbl s GLN 1150CO 0.15 0.41 1.31 0.00 -2.12 0.00 0.00 175.29 175.05 3hbl s ALA 1151N -1.90 3.52 0.20 6.09 0.00 -0.53 -4.90 121.76 124.25 3hbl s ALA 1151Ca 0.27 0.85 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 3hbl s ALA 1151Cb -0.08 -3.54 0.15 0.00 0.00 0.00 0.00 23.12 19.65 3hbl s ALA 1151CO 0.17 -0.74 1.62 -1.00 0.00 0.00 0.00 175.76 175.81 3hbl h PRO 1152N 7.40 0.86 -4.10 0.00 0.13 -1.93 0.80 132.00 135.16 3hbl h PRO 1152Ca -0.38 -0.33 -0.12 0.00 -0.87 0.00 0.00 66.00 64.30 3hbl h PRO 1152Cb 1.19 -0.05 -0.16 0.00 0.13 0.00 0.00 31.00 32.11 3hbl h PRO 1152CO 0.87 0.97 -0.61 -0.59 -0.23 0.00 0.00 178.00 178.41 3hbl s PHE 1153N -4.69 0.40 0.17 1.56 -0.12 -1.26 -4.69 117.98 109.35 3hbl s PHE 1153Ca -0.10 -0.89 -0.32 0.00 -0.05 0.00 0.00 56.93 55.58 3hbl s PHE 1153Cb 0.13 -0.29 -0.11 0.00 -0.63 0.00 0.00 43.02 42.12 3hbl s PHE 1153CO 0.84 -0.39 1.72 -0.51 -0.05 0.00 0.00 175.22 176.83 3hbl s ASP 1154N -2.71 6.44 0.00 1.98 1.01 -1.26 -4.34 116.67 117.78 3hbl s ASP 1154Ca 0.04 2.78 0.00 0.00 0.71 0.00 0.00 52.55 56.08 3hbl s ASP 1154Cb 0.05 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.39 3hbl s ASP 1154CO -0.09 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 174.95 3hbl n GLY 1155N 4.01 0.90 3.03 0.21 0.00 -0.81 -4.93 105.19 107.60 3hbl n GLY 1155Ca 0.16 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 3hbl n GLY 1155CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbl s VAL 1156N -1.75 1.20 -0.06 1.61 -7.23 -1.21 -0.98 120.40 111.98 3hbl s VAL 1156Ca 0.00 -0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 59.36 3hbl s VAL 1156Cb 0.00 -1.09 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 3hbl s VAL 1156CO 0.00 0.37 1.50 -0.63 -0.31 0.00 0.00 175.10 176.03 3hbl s ILE 1157N 0.66 3.74 -0.10 -0.62 1.09 -0.14 -2.58 121.20 123.26 3hbl s ILE 1157Ca -0.14 0.99 0.10 0.00 -1.10 0.00 0.00 60.65 60.49 3hbl s ILE 1157Cb -0.16 -3.64 -0.14 0.00 -1.06 0.00 0.00 42.46 37.46 3hbl s ILE 1157CO 0.04 -0.06 0.06 1.17 -0.10 0.00 0.00 174.94 176.05 3hbl n LYS 1158N 6.45 2.01 -3.68 2.79 3.00 0.10 0.45 118.16 129.28 3hbl n LYS 1158Ca 0.15 -0.02 -0.10 0.00 -0.00 0.00 0.00 58.31 58.35 3hbl n LYS 1158Cb 0.43 -1.28 -0.10 0.00 0.00 0.00 0.00 35.03 34.08 3hbl n LYS 1158CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 3hbl s GLN 1159N -2.32 0.39 -0.26 1.64 -2.07 -1.21 -4.79 119.66 111.03 3hbl s GLN 1159Ca -0.05 0.89 -0.10 0.00 -1.82 0.00 0.00 55.36 54.28 3hbl s GLN 1159Cb 0.04 0.09 -0.05 0.00 -1.09 0.00 0.00 33.01 32.01 3hbl s GLN 1159CO 0.46 -0.19 0.16 0.08 -1.32 0.00 0.00 175.29 174.48 3hbl s VAL 1160N 1.78 5.09 -0.24 3.63 1.01 -1.26 -1.76 120.40 128.66 3hbl s VAL 1160Ca -0.07 0.09 0.20 0.00 0.00 0.00 0.00 61.98 62.20 3hbl s VAL 1160Cb -0.09 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 32.92 3hbl s VAL 1160CO -0.13 0.29 1.15 0.74 0.00 0.00 0.00 175.10 177.15 3hbl h THR 1161N 5.33 0.23 -2.09 3.92 2.02 -1.15 -3.48 112.91 117.69 3hbl h THR 1161Ca -0.36 -1.40 -0.59 0.00 0.77 0.00 0.00 66.41 64.83 3hbl h THR 1161Cb 1.18 1.84 -0.14 0.00 -1.74 0.00 0.00 68.15 69.30 3hbl h THR 1161CO 0.58 0.13 -0.68 0.68 0.37 0.00 0.00 175.52 176.60 3hbl s VAL 1162N -3.18 2.10 0.33 3.16 -7.23 -1.26 -4.82 120.40 109.50 3hbl s VAL 1162Ca 0.01 -2.18 0.07 0.00 -1.81 0.00 0.00 61.98 58.07 3hbl s VAL 1162Cb 0.08 -2.62 -0.06 0.00 0.56 0.00 0.00 36.38 34.34 3hbl s VAL 1162CO 0.77 -0.21 -0.05 0.20 -0.31 0.00 0.00 175.10 175.50 3hbl s ASN 1163N -3.58 3.25 0.06 4.85 0.01 -1.26 -4.98 114.94 113.29 3hbl s ASN 1163Ca 0.32 -1.25 -0.35 0.00 -0.71 0.00 0.00 52.86 50.87 3hbl s ASN 1163Cb 0.03 -0.26 -0.15 0.00 0.41 0.00 0.00 41.25 41.28 3hbl s ASN 1163CO 0.16 -0.34 1.56 0.59 -1.51 0.00 0.00 177.10 177.56 3hbl n ASN 1164N -0.74 2.64 0.00 -1.22 3.02 -1.26 -2.13 115.26 115.57 3hbl n ASN 1164Ca -0.05 1.08 0.00 0.00 -0.03 0.00 0.00 54.58 55.58 3hbl n ASN 1164Cb 0.64 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 3hbl n ASN 1164CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hbl n GLY 1165N 3.36 1.73 3.77 7.41 0.00 0.56 -5.01 105.19 117.00 3hbl n GLY 1165Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3hbl n GLY 1165CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbl s ASP 1166N -1.92 6.44 0.22 1.61 1.01 -0.90 -4.67 116.67 118.45 3hbl s ASP 1166Ca 0.00 2.72 -0.08 0.00 0.71 0.00 0.00 52.55 55.90 3hbl s ASP 1166Cb 0.00 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 3hbl s ASP 1166CO 0.00 -0.77 0.52 0.42 0.21 0.00 0.00 175.17 175.55 3hbl s THR 1167N -1.20 4.98 0.07 -1.27 -4.23 -1.26 -0.41 115.64 112.31 3hbl s THR 1167Ca 0.54 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.45 3hbl s THR 1167Cb -0.40 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 69.79 3hbl s THR 1167CO 0.52 -0.07 -0.10 0.27 -0.54 0.00 0.00 174.62 174.70 3hbl s ILE 1168N -1.81 0.83 0.18 2.99 -4.36 0.13 -4.94 121.20 114.23 3hbl s ILE 1168Ca 0.46 -1.40 0.10 0.00 -0.26 0.00 0.00 60.65 59.56 3hbl s ILE 1168Cb -0.11 -1.06 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 3hbl s ILE 1168CO 0.22 -0.44 -0.19 0.00 0.24 0.00 0.00 174.94 174.78 3hbl s ALA 1169N -1.89 2.69 -0.37 2.27 0.00 -1.26 -0.70 121.76 122.49 3hbl s ALA 1169Ca -0.01 -1.55 -0.43 0.00 0.00 0.00 0.00 51.96 49.97 3hbl s ALA 1169Cb -0.06 -0.50 -0.18 0.00 0.00 0.00 0.00 23.12 22.37 3hbl s ALA 1169CO 0.00 0.46 1.66 2.41 0.00 0.00 0.00 175.76 180.29 3hbl n THR 1170N 0.26 0.15 0.00 0.00 -1.04 -1.26 -2.23 114.28 110.18 3hbl n THR 1170Ca -0.12 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3hbl n THR 1170Cb 0.55 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 3hbl n THR 1170CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hbl n GLY 1171N 4.02 0.44 3.77 3.41 0.00 0.14 -4.94 105.19 112.02 3hbl n GLY 1171Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 3hbl n GLY 1171CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hbl s ASP 1172N -2.05 6.87 0.24 1.61 -0.00 -0.94 -1.00 116.67 121.40 3hbl s ASP 1172Ca 0.00 2.61 -0.30 0.00 -0.00 0.00 0.00 52.55 54.86 3hbl s ASP 1172Cb 0.00 -2.64 -0.09 0.00 -0.00 0.00 0.00 42.92 40.18 3hbl s ASP 1172CO 0.00 -0.46 1.31 -0.22 -0.00 0.00 0.00 175.17 175.80 3hbl s LEU 1173N -1.70 4.42 -0.03 1.23 2.96 -0.56 -0.87 118.68 124.13 3hbl s LEU 1173Ca 0.48 2.49 -0.01 0.00 -0.22 0.00 0.00 54.13 56.88 3hbl s LEU 1173Cb -0.38 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.67 3hbl s LEU 1173CO 0.50 -0.52 -0.04 0.18 -1.32 0.00 0.00 176.35 175.15 3hbl n LEU 1174N 2.06 1.33 -3.94 -0.68 4.77 -0.59 -4.72 117.00 115.24 3hbl n LEU 1174Ca 0.04 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 3hbl n LEU 1174Cb 0.42 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.29 3hbl n LEU 1174CO 0.58 0.26 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.93 3hbl s ILE 1175N -2.06 0.08 -0.14 -0.08 1.09 -1.24 -0.61 121.20 118.23 3hbl s ILE 1175Ca -0.05 -0.64 0.02 0.00 -1.10 0.00 0.00 60.65 58.87 3hbl s ILE 1175Cb 0.02 -0.20 0.01 0.00 -1.06 0.00 0.00 42.46 41.23 3hbl s ILE 1175CO 0.07 -0.35 -0.19 -0.70 -0.10 0.00 0.00 174.94 173.66 3hbl s GLU 1176N -1.04 2.73 0.05 2.79 2.12 -0.72 -2.01 118.70 122.61 3hbl s GLU 1176Ca -0.11 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 54.51 3hbl s GLU 1176Cb -0.07 -2.30 -0.02 0.00 0.26 0.00 0.00 34.13 32.00 3hbl s GLU 1176CO -0.01 -0.10 -0.12 0.96 -0.54 0.00 0.00 175.26 175.46 3hbl s ILE 1177N 1.05 0.90 -2.45 -3.70 -0.00 -0.93 0.03 121.20 116.09 3hbl s ILE 1177Ca -0.03 -1.06 0.20 0.00 -0.00 0.00 0.00 60.65 59.76 3hbl s ILE 1177Cb -0.14 -0.87 0.16 0.00 -0.00 0.00 0.00 42.46 41.61 3hbl s ILE 1177CO -0.06 -0.17 1.12 -0.62 -0.00 0.00 0.00 174.94 175.22