#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mer s PRO 17 N 0.00 1.73 0.19 3.49 0.04 -1.26 -4.90 135.00 134.28 3mer s PRO 17 Ca 0.00 0.54 -0.33 0.00 0.04 0.00 0.00 61.00 61.25 3mer s PRO 17 Cb 0.00 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 3mer s PRO 17 CO 0.00 -1.85 1.65 -1.71 0.04 0.00 0.00 177.00 175.13 3mer n ASN 18 N -3.57 3.55 -0.16 6.66 2.85 -1.26 -4.90 115.26 118.44 3mer n ASN 18 Ca 0.07 1.07 -0.01 0.00 -0.11 0.00 0.00 54.58 55.60 3mer n ASN 18 Cb 0.57 -1.50 0.23 0.00 1.24 0.00 0.00 39.78 40.32 3mer n ASN 18 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3mer h ASP 19 N 6.29 0.79 -0.45 1.20 3.45 -1.99 -1.49 116.42 124.21 3mer h ASP 19 Ca -0.44 -0.08 -0.13 0.00 0.43 0.00 0.00 57.03 56.81 3mer h ASP 19 Cb 1.23 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.78 3mer h ASP 19 CO 0.92 0.67 -0.21 0.15 -1.57 0.00 0.00 179.24 179.21 3mer h PHE 20 N 0.87 1.08 -0.78 4.55 3.04 -1.99 -1.90 116.94 121.82 3mer h PHE 20 Ca 0.22 -0.26 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 3mer h PHE 20 Cb 0.10 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.32 3mer h PHE 20 CO 0.01 1.07 0.30 1.25 -2.02 0.00 0.00 178.31 178.92 3mer h LEU 21 N 0.78 1.09 -1.15 0.59 5.85 -1.85 -1.66 115.31 118.96 3mer h LEU 21 Ca 0.10 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 3mer h LEU 21 Cb 0.78 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3mer h LEU 21 CO 0.06 0.98 -0.32 -0.37 -0.34 0.00 0.00 178.44 178.45 3mer h VAL 22 N 1.14 0.85 0.00 1.05 -1.51 -1.18 -1.75 116.25 114.86 3mer h VAL 22 Ca 0.26 -1.29 -0.05 0.00 -1.23 0.00 0.00 66.70 64.39 3mer h VAL 22 Cb 0.24 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 3mer h VAL 22 CO -0.02 0.31 -0.25 0.77 -1.23 0.00 0.00 177.57 177.16 3mer h SER 23 N 0.00 0.00 -0.10 4.19 4.64 -0.49 -3.30 113.55 118.50 3mer h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mer h SER 23 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3mer h SER 23 CO 0.04 0.25 0.00 1.33 -0.87 0.00 0.00 176.83 177.58 3mer n VAL 24 N -3.22 0.49 -0.26 0.95 0.24 -0.80 -4.65 118.33 111.08 3mer n VAL 24 Ca 0.02 -0.75 0.17 0.00 -2.04 0.00 0.00 64.34 61.74 3mer n VAL 24 Cb 0.57 0.82 0.46 0.00 -1.47 0.00 0.00 33.84 34.22 3mer n VAL 24 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mer h ALA 25 N 1.19 2.06 0.00 2.33 0.00 -1.40 0.84 119.26 124.28 3mer h ALA 25 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mer h ALA 25 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mer h ALA 25 CO 0.00 -0.35 0.00 0.09 0.00 0.00 0.00 179.25 178.99 3mer n ASN 26 N -4.56 0.03 0.01 0.00 3.02 -1.26 -1.98 115.26 110.52 3mer n ASN 26 Ca 0.20 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.37 3mer n ASN 26 Cb 0.64 -0.51 0.16 0.00 -0.61 0.00 0.00 39.78 39.45 3mer n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mer n GLN 27 N -1.53 0.08 -3.11 3.52 1.13 0.29 -4.86 117.38 112.90 3mer n GLN 27 Ca 0.01 0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.67 3mer n GLN 27 Cb 0.08 -1.53 -0.06 0.00 0.11 0.00 0.00 30.24 28.83 3mer n GLN 27 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3mer s ILE 28 N -3.05 4.92 0.43 5.09 1.01 -0.84 -4.84 121.20 123.92 3mer s ILE 28 Ca 0.09 0.80 -0.26 0.00 0.00 0.00 0.00 60.65 61.28 3mer s ILE 28 Cb 0.16 -4.02 -0.09 0.00 0.01 0.00 0.00 42.46 38.53 3mer s ILE 28 CO 0.74 -0.18 1.39 -2.84 0.00 0.00 0.00 174.94 174.05 3mer s PRO 29 N 2.64 3.82 0.34 2.79 0.02 -1.26 -4.89 135.00 138.45 3mer s PRO 29 Ca 0.25 2.34 -0.27 0.00 0.02 0.00 0.00 61.00 63.34 3mer s PRO 29 Cb -0.15 -2.72 -0.13 0.00 0.02 0.00 0.00 34.50 31.53 3mer s PRO 29 CO 0.12 -0.68 1.13 0.94 -0.33 0.00 0.00 177.00 178.18 3mer n GLN 30 N -0.03 1.69 -1.45 5.54 0.00 -1.26 -4.79 117.38 117.08 3mer n GLN 30 Ca 0.04 0.59 0.00 0.00 -0.00 0.00 0.00 57.00 57.64 3mer n GLN 30 Cb 0.42 -2.09 0.00 0.00 0.00 0.00 0.00 30.24 28.57 3mer n GLN 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mer n GLY 31 N 1.01 -0.01 3.71 1.69 0.00 -1.26 -4.94 105.19 105.39 3mer n GLY 31 Ca 0.07 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 3mer n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mer s LYS 32 N -2.00 4.43 -0.09 1.61 1.02 -1.26 -1.32 119.74 122.12 3mer s LYS 32 Ca 0.00 0.96 0.04 0.00 0.02 0.00 0.00 55.97 56.99 3mer s LYS 32 Cb 0.00 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3mer s LYS 32 CO 0.00 -0.02 -0.21 0.42 -0.92 0.00 0.00 175.35 174.62 3mer s ILE 33 N 1.05 2.37 -0.21 2.17 1.09 -0.66 -0.67 121.20 126.33 3mer s ILE 33 Ca 0.39 -0.93 -0.04 0.00 -1.10 0.00 0.00 60.65 58.98 3mer s ILE 33 Cb -0.18 -1.92 -0.01 0.00 -1.06 0.00 0.00 42.46 39.29 3mer s ILE 33 CO 0.18 0.56 -0.04 -0.22 -0.10 0.00 0.00 174.94 175.32 3mer s LEU 34 N 0.11 2.93 -0.33 2.97 2.96 0.12 -0.59 118.68 126.84 3mer s LEU 34 Ca -0.10 -0.36 -0.12 0.00 -0.22 0.00 0.00 54.13 53.33 3mer s LEU 34 Cb -0.16 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3mer s LEU 34 CO 0.06 0.00 0.21 0.00 -1.32 0.00 0.00 176.35 175.31 3mer s LEU 36 N 1.68 4.33 -1.38 0.00 1.43 -0.31 -1.21 118.68 123.22 3mer s LEU 36 Ca 0.05 1.66 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 3mer s LEU 36 Cb -0.17 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.50 3mer s LEU 36 CO 0.09 -0.34 0.23 0.00 0.23 0.00 0.00 176.35 176.55 3mer n ALA 37 N 4.27 -2.17 1.41 4.21 0.00 0.20 -4.58 120.51 123.85 3mer n ALA 37 Ca 0.07 -0.47 0.14 0.00 0.00 0.00 0.00 53.44 53.19 3mer n ALA 37 Cb 0.50 -1.35 0.64 0.00 0.00 0.00 0.00 19.45 19.24 3mer n ALA 37 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3mer n GLU 38 N -4.62 0.63 0.00 0.00 -0.00 -1.06 -4.90 120.64 110.69 3mer n GLU 38 Ca -0.24 -0.18 0.00 0.00 -0.00 0.00 0.00 57.16 56.74 3mer n GLU 38 Cb 0.63 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.57 3mer n GLU 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mer n GLY 39 N 1.28 0.32 0.00 -1.84 0.00 -1.26 -3.50 105.19 100.19 3mer n GLY 39 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mer n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mer n GLU 40 N 0.00 0.00 0.00 1.61 1.02 -1.26 -4.27 120.64 117.74 3mer n GLU 40 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3mer n GLU 40 Cb 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.10 3mer n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mer n GLY 41 N -0.22 0.02 0.20 0.62 0.00 -1.23 -3.40 105.19 101.19 3mer n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3mer n GLY 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3mer h ARG 42 N 0.00 0.52 0.11 1.61 2.43 -1.90 -1.23 114.38 115.92 3mer h ARG 42 Ca 0.00 -0.34 -0.27 0.00 -0.81 0.00 0.00 59.98 58.55 3mer h ARG 42 Cb 0.00 0.05 0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3mer h ARG 42 CO 0.00 0.96 -1.13 -0.91 -1.51 0.00 0.00 179.97 177.37 3mer h ASN 43 N 0.39 0.80 -0.14 -3.80 2.35 -1.90 -2.18 115.58 111.10 3mer h ASN 43 Ca -0.00 -0.83 -0.01 0.00 -0.55 0.00 0.00 56.30 54.91 3mer h ASN 43 Cb 1.14 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 3mer h ASN 43 CO 0.11 1.55 0.05 0.00 -1.65 0.00 0.00 177.43 177.49 3mer h ALA 44 N 0.26 0.19 -0.21 -0.83 0.00 -1.93 -1.09 119.26 115.65 3mer h ALA 44 Ca -0.17 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3mer h ALA 44 Cb 1.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 3mer h ALA 44 CO 0.22 -0.21 -0.26 0.00 0.00 0.00 0.00 179.25 178.99 3mer h PHE 46 N 0.36 0.58 -0.25 0.00 3.57 -1.18 -0.97 116.94 119.05 3mer h PHE 46 Ca 0.05 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 3mer h PHE 46 Cb 0.65 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 3mer h PHE 46 CO 0.02 0.53 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.36 3mer h LEU 47 N 0.47 0.61 -2.08 0.59 3.38 -0.90 -2.83 115.31 114.54 3mer h LEU 47 Ca 0.13 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.67 3mer h LEU 47 Cb 0.19 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3mer h LEU 47 CO -0.01 0.93 0.07 0.00 0.09 0.00 0.00 178.44 179.52 3mer h ALA 48 N 0.70 2.00 0.00 1.53 0.00 -0.83 0.24 119.26 122.89 3mer h ALA 48 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mer h ALA 48 Cb 0.74 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mer h ALA 48 CO 0.05 -0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.05 3mer n SER 49 N -4.37 0.45 -0.17 0.00 3.41 -0.38 -2.42 113.62 110.14 3mer n SER 49 Ca -0.01 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.31 3mer n SER 49 Cb 0.18 -0.69 0.23 0.00 -0.26 0.00 0.00 64.21 63.67 3mer n SER 49 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3mer n LEU 50 N -1.97 0.99 0.00 1.04 4.32 0.83 -4.95 117.00 117.26 3mer n LEU 50 Ca 0.04 -0.27 0.00 0.00 -0.02 0.00 0.00 56.01 55.76 3mer n LEU 50 Cb 0.27 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 3mer n LEU 50 CO 0.21 0.20 0.00 0.61 -1.22 0.00 0.00 177.39 177.19 3mer n GLY 51 N 1.42 1.16 3.91 -0.72 0.00 -1.02 -5.12 105.19 104.83 3mer n GLY 51 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3mer n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mer s TYR 52 N -2.00 3.55 -0.73 1.61 2.02 -1.21 -4.72 117.35 115.86 3mer s TYR 52 Ca 0.00 0.71 -0.09 0.00 -0.37 0.00 0.00 57.07 57.31 3mer s TYR 52 Cb 0.00 -2.21 0.19 0.00 -0.40 0.00 0.00 41.96 39.55 3mer s TYR 52 CO 0.00 -0.18 0.62 -2.00 -1.57 0.00 0.00 175.55 172.42 3mer s GLU 53 N -4.61 3.15 0.03 -0.62 2.12 -0.44 -4.45 118.70 113.88 3mer s GLU 53 Ca 0.46 -2.47 -0.17 0.00 0.36 0.00 0.00 54.97 53.15 3mer s GLU 53 Cb -0.10 -4.13 -0.06 0.00 0.26 0.00 0.00 34.13 30.09 3mer s GLU 53 CO 0.42 -1.24 0.50 0.08 -0.54 0.00 0.00 175.26 174.48 3mer s VAL 54 N 0.12 4.88 -0.29 3.70 1.01 -1.26 -1.65 120.40 126.90 3mer s VAL 54 Ca 0.17 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.22 3mer s VAL 54 Cb -0.15 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.48 3mer s VAL 54 CO -0.06 0.56 -0.05 -0.89 0.00 0.00 0.00 175.10 174.66 3mer s THR 55 N -1.04 2.35 -0.35 3.92 2.01 0.24 -3.16 115.64 119.61 3mer s THR 55 Ca 0.27 -1.77 -0.24 0.00 0.31 0.00 0.00 61.69 60.26 3mer s THR 55 Cb -0.18 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.87 3mer s THR 55 CO 0.16 -0.19 0.82 0.00 -0.69 0.00 0.00 174.62 174.73 3mer s ALA 56 N 1.08 3.44 -0.24 7.40 0.00 -0.55 -1.40 121.76 131.49 3mer s ALA 56 Ca -0.04 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.31 3mer s ALA 56 Cb -0.20 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 3mer s ALA 56 CO -0.05 -1.47 0.04 0.08 0.00 0.00 0.00 175.76 174.37 3mer s VAL 57 N 3.18 4.08 0.10 0.00 1.01 -0.35 -2.83 120.40 125.58 3mer s VAL 57 Ca 0.33 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3mer s VAL 57 Cb -0.13 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.36 3mer s VAL 57 CO 0.17 0.35 0.26 -0.62 0.00 0.00 0.00 175.10 175.26 3mer s ASP 58 N 1.58 -0.00 0.04 3.32 2.15 -1.13 0.60 116.67 123.23 3mer s ASP 58 Ca 0.06 -0.53 0.15 0.00 0.43 0.00 0.00 52.55 52.67 3mer s ASP 58 Cb -0.15 0.38 -0.16 0.00 -0.30 0.00 0.00 42.92 42.70 3mer s ASP 58 CO 0.02 -0.76 0.81 0.06 -0.17 0.00 0.00 175.17 175.13 3mer h GLN 59 N 2.64 0.00 -5.78 4.34 -0.00 -1.84 -3.24 115.11 111.23 3mer h GLN 59 Ca -0.34 0.00 -0.60 0.00 -0.00 0.00 0.00 58.65 57.71 3mer h GLN 59 Cb 1.22 0.00 -0.10 0.00 -0.00 0.00 0.00 27.48 28.59 3mer h GLN 59 CO 0.53 0.37 0.40 -1.54 -0.00 0.00 0.00 178.83 178.58 3mer s SER 60 N -5.91 6.65 0.62 0.06 1.04 -1.26 -4.78 113.70 110.11 3mer s SER 60 Ca -0.03 0.63 0.39 0.00 0.48 0.00 0.00 55.95 57.42 3mer s SER 60 Cb 0.08 -2.41 1.99 0.00 0.10 0.00 0.00 66.02 65.79 3mer s SER 60 CO 0.81 -0.63 2.22 0.28 0.98 0.00 0.00 173.24 176.90 3mer h SER 61 N 8.16 0.00 0.44 7.02 0.02 -1.94 -0.47 113.55 126.78 3mer h SER 61 Ca -0.24 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.54 3mer h SER 61 Cb 1.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3mer h SER 61 CO 0.89 0.01 -0.70 1.62 -1.14 0.00 0.00 176.83 177.51 3mer h VAL 62 N 0.00 1.42 0.06 2.27 3.04 -1.99 -1.78 116.25 119.28 3mer h VAL 62 Ca -0.00 -2.20 -0.07 0.00 -1.01 0.00 0.00 66.70 63.42 3mer h VAL 62 Cb 0.20 2.16 0.01 0.00 -2.01 0.00 0.00 31.29 31.65 3mer h VAL 62 CO 0.00 0.65 -0.32 1.23 -1.01 0.00 0.00 177.57 178.12 3mer h GLY 63 N 1.61 0.14 1.52 3.17 0.00 -1.44 -2.85 103.07 105.21 3mer h GLY 63 Ca -0.02 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 46.99 3mer h GLY 63 CO 0.11 0.30 0.27 1.41 0.00 0.00 0.00 176.54 178.63 3mer h LEU 64 N -0.75 0.39 -0.63 3.11 3.38 -1.37 0.17 115.31 119.61 3mer h LEU 64 Ca -0.06 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3mer h LEU 64 Cb 1.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3mer h LEU 64 CO 0.06 0.27 -0.48 0.00 0.09 0.00 0.00 178.44 178.38 3mer h ALA 65 N 1.76 0.81 0.00 1.53 0.00 -1.39 -2.40 119.26 119.57 3mer h ALA 65 Ca 0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3mer h ALA 65 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3mer h ALA 65 CO -0.04 0.67 -0.14 -0.22 0.00 0.00 0.00 179.25 179.52 3mer h LYS 66 N 0.40 0.00 -0.26 0.00 1.63 -0.91 -2.94 116.57 114.48 3mer h LYS 66 Ca 0.02 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.66 3mer h LYS 66 Cb 0.99 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 3mer h LYS 66 CO 0.09 0.14 -0.47 0.00 -3.45 0.00 0.00 179.45 175.76 3mer h ALA 67 N 1.86 0.41 -0.36 5.00 0.00 -0.39 -2.06 119.26 123.71 3mer h ALA 67 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3mer h ALA 67 Cb 1.03 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3mer h ALA 67 CO 0.02 0.57 0.13 0.87 0.00 0.00 0.00 179.25 180.84 3mer h LYS 68 N 0.53 0.55 -0.91 0.00 1.79 -1.40 -1.93 116.57 115.21 3mer h LYS 68 Ca 0.02 -0.11 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 3mer h LYS 68 Cb 1.07 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.59 3mer h LYS 68 CO 0.11 0.55 0.52 1.96 -1.08 0.00 0.00 179.45 181.51 3mer h GLN 69 N 0.44 1.26 -0.49 3.15 1.08 -1.48 -0.31 115.11 118.77 3mer h GLN 69 Ca 0.12 -0.13 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 3mer h GLN 69 Cb 0.21 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 3mer h GLN 69 CO -0.01 0.90 -0.02 1.25 -0.95 0.00 0.00 178.83 180.01 3mer h LEU 70 N 1.27 0.79 -0.34 1.46 5.85 -1.20 -2.00 115.31 121.14 3mer h LEU 70 Ca 0.32 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3mer h LEU 70 Cb -0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 3mer h LEU 70 CO -0.06 0.87 0.14 0.00 -0.34 0.00 0.00 178.44 179.05 3mer h ALA 71 N 1.22 0.45 -0.28 1.25 0.00 -0.60 0.17 119.26 121.46 3mer h ALA 71 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mer h ALA 71 Cb 0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3mer h ALA 71 CO 0.02 0.04 0.18 1.96 0.00 0.00 0.00 179.25 181.46 3mer h GLN 72 N 0.41 0.33 0.18 0.00 4.20 -0.75 0.60 115.11 120.08 3mer h GLN 72 Ca 0.11 -0.02 -0.32 0.00 0.06 0.00 0.00 58.65 58.49 3mer h GLN 72 Cb 0.18 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.90 3mer h GLN 72 CO -0.01 0.22 -1.51 0.93 -0.67 0.00 0.00 178.83 177.79 3mer h GLU 73 N 0.34 0.38 0.00 1.46 5.08 -0.96 -3.28 114.58 117.60 3mer h GLU 73 Ca 0.10 -0.64 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 3mer h GLU 73 Cb 0.01 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3mer h GLU 73 CO -0.02 1.28 0.00 1.17 -1.00 0.00 0.00 179.01 180.44 3mer n LYS 74 N -3.58 0.19 -2.51 2.33 4.81 0.56 -4.93 118.16 115.03 3mer n LYS 74 Ca -0.17 0.01 -0.06 0.00 -0.87 0.00 0.00 58.31 57.22 3mer n LYS 74 Cb 1.07 -1.50 0.01 0.00 0.02 0.00 0.00 35.03 34.63 3mer n LYS 74 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mer n GLY 75 N 1.36 0.40 3.21 3.14 0.00 0.09 -5.05 105.19 108.35 3mer n GLY 75 Ca 0.10 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 3mer n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3mer s VAL 76 N -2.76 2.30 -0.26 1.61 -7.23 -0.53 -5.00 120.40 108.53 3mer s VAL 76 Ca 0.09 -0.90 -0.00 0.00 -1.81 0.00 0.00 61.98 59.36 3mer s VAL 76 Cb -0.04 -1.94 0.21 0.00 0.56 0.00 0.00 36.38 35.17 3mer s VAL 76 CO 0.11 0.54 1.87 1.17 -0.31 0.00 0.00 175.10 178.48 3mer n LYS 77 N 4.01 1.66 -3.75 4.82 4.81 -1.26 -4.40 118.16 124.06 3mer n LYS 77 Ca -0.20 -1.34 -0.28 0.00 -0.87 0.00 0.00 58.31 55.63 3mer n LYS 77 Cb 0.52 -1.53 -0.16 0.00 0.02 0.00 0.00 35.03 33.88 3mer n LYS 77 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3mer s ILE 78 N -1.86 0.58 -0.23 3.15 -1.09 -1.26 -4.95 121.20 115.54 3mer s ILE 78 Ca 0.26 -0.60 0.05 0.00 -2.23 0.00 0.00 60.65 58.13 3mer s ILE 78 Cb 0.21 -1.08 0.18 0.00 -1.58 0.00 0.00 42.46 40.18 3mer s ILE 78 CO 0.01 -0.21 1.05 0.35 -1.23 0.00 0.00 174.94 174.91 3mer n THR 79 N 5.03 0.00 -1.55 2.92 -2.24 -1.25 -4.72 114.28 112.47 3mer n THR 79 Ca -0.09 -0.66 -0.38 0.00 -2.27 0.00 0.00 64.05 60.66 3mer n THR 79 Cb 0.47 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.38 3mer n THR 79 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3mer n THR 80 N -0.62 -0.02 -1.12 4.28 -1.04 -1.19 -4.70 114.28 109.86 3mer n THR 80 Ca -0.13 -0.68 -0.30 0.00 -2.04 0.00 0.00 64.05 60.90 3mer n THR 80 Cb 0.69 -2.56 0.23 0.00 -1.82 0.00 0.00 70.33 66.87 3mer n THR 80 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3mer s VAL 81 N 11.41 1.65 0.00 12.58 -7.23 -1.25 -1.48 120.40 136.07 3mer s VAL 81 Ca 1.02 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 3mer s VAL 81 Cb -0.30 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3mer s VAL 81 CO 0.30 0.00 0.00 1.67 -0.31 0.00 0.00 175.10 176.76 3mer n GLN 82 N -4.68 0.00 0.00 4.82 -0.06 -1.13 -4.82 117.38 111.51 3mer n GLN 82 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 3mer n GLN 82 Cb 0.59 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.77 3mer n GLN 82 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 3mer n SER 83 N 0.00 0.00 -4.50 1.69 7.64 -1.22 -4.60 113.62 112.62 3mer n SER 83 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 3mer n SER 83 Cb 0.00 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.33 3mer n SER 83 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3mer s ASN 84 N 1.00 3.94 -0.10 6.43 2.20 -1.26 -2.79 114.94 124.36 3mer s ASN 84 Ca 0.00 -0.24 0.20 0.00 -0.94 0.00 0.00 52.86 51.88 3mer s ASN 84 Cb 0.00 -0.01 -0.29 0.00 -2.00 0.00 0.00 41.25 38.95 3mer s ASN 84 CO 0.00 -2.15 0.31 0.18 -2.94 0.00 0.00 177.10 172.50 3mer n LEU 85 N -3.11 0.03 -0.10 3.54 4.32 -1.26 -4.50 117.00 115.93 3mer n LEU 85 Ca 0.16 0.01 -0.03 0.00 -0.02 0.00 0.00 56.01 56.14 3mer n LEU 85 Cb 0.60 0.23 -0.02 0.00 -1.62 0.00 0.00 43.42 42.61 3mer n LEU 85 CO 0.43 0.24 0.49 0.00 -1.22 0.00 0.00 177.39 177.32 3mer n ALA 86 N -2.49 -0.15 -2.34 -1.18 0.00 -1.26 -1.83 120.51 111.26 3mer n ALA 86 Ca -0.18 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 3mer n ALA 86 Cb 0.85 0.34 0.02 0.00 0.00 0.00 0.00 19.45 20.67 3mer n ALA 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3mer n ASP 87 N -3.53 6.83 -4.48 0.00 4.64 -1.26 -4.98 116.55 113.77 3mer n ASP 87 Ca 0.00 -3.76 -0.33 0.00 -1.38 0.00 0.00 54.79 49.33 3mer n ASP 87 Cb 0.06 -0.98 -0.13 0.00 -1.04 0.00 0.00 41.12 39.03 3mer n ASP 87 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3mer s PHE 88 N -4.04 2.76 0.01 -0.67 5.36 -0.76 -5.05 117.98 115.59 3mer s PHE 88 Ca 0.47 -0.19 0.01 0.00 -0.96 0.00 0.00 56.93 56.26 3mer s PHE 88 Cb 0.33 -1.68 -0.01 0.00 -0.34 0.00 0.00 43.02 41.32 3mer s PHE 88 CO -0.26 0.15 -0.05 0.16 -1.46 0.00 0.00 175.22 173.76 3mer s ASP 89 N -0.58 0.58 -0.04 6.13 -4.77 -1.26 -4.98 116.67 111.76 3mer s ASP 89 Ca 0.08 -0.27 0.04 0.00 -3.30 0.00 0.00 52.55 49.10 3mer s ASP 89 Cb -0.11 -0.01 -0.03 0.00 -1.09 0.00 0.00 42.92 41.68 3mer s ASP 89 CO 0.01 -0.07 -0.15 0.27 0.70 0.00 0.00 175.17 175.94 3mer s ILE 90 N -0.65 3.01 0.28 2.11 -0.00 -1.26 -5.09 121.20 119.60 3mer s ILE 90 Ca -0.04 -0.78 -0.30 0.00 -0.00 0.00 0.00 60.65 59.53 3mer s ILE 90 Cb -0.05 -2.18 -0.11 0.00 -0.00 0.00 0.00 42.46 40.12 3mer s ILE 90 CO -0.00 0.57 1.56 0.68 -0.00 0.00 0.00 174.94 177.75 3mer s VAL 91 N -0.75 2.21 0.56 8.37 -7.23 -1.26 -4.67 120.40 117.62 3mer s VAL 91 Ca 0.12 0.17 -0.21 0.00 -1.81 0.00 0.00 61.98 60.25 3mer s VAL 91 Cb -0.11 -3.11 -0.04 0.00 0.56 0.00 0.00 36.38 33.68 3mer s VAL 91 CO 0.01 0.03 1.30 0.00 -0.31 0.00 0.00 175.10 176.13 3mer s ALA 92 N 0.04 2.73 -1.22 1.32 0.00 -1.26 -3.66 121.76 119.71 3mer s ALA 92 Ca 0.63 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.51 3mer s ALA 92 Cb -0.46 -3.53 0.03 0.00 0.00 0.00 0.00 23.12 19.16 3mer s ALA 92 CO 0.46 -1.29 0.66 -3.47 0.00 0.00 0.00 175.76 172.13 3mer n ASP 93 N -1.17 -4.01 0.00 0.00 2.03 0.40 -4.86 116.55 108.94 3mer n ASP 93 Ca 0.11 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 54.18 3mer n ASP 93 Cb 0.46 -2.00 0.00 0.00 -0.72 0.00 0.00 41.12 38.86 3mer n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3mer n ALA 94 N -4.87 0.37 -2.62 -1.67 0.00 -0.36 -4.76 120.51 106.60 3mer n ALA 94 Ca -0.12 -0.02 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 3mer n ALA 94 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.87 3mer n ALA 94 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3mer s TRP 95 N -0.14 2.46 -0.54 0.00 0.52 -0.59 -4.65 118.94 115.99 3mer s TRP 95 Ca 0.00 -0.59 0.24 0.00 0.02 0.00 0.00 56.10 55.77 3mer s TRP 95 Cb 0.00 -1.59 0.32 0.00 -1.15 0.00 0.00 33.47 31.05 3mer s TRP 95 CO 0.00 -0.13 1.33 0.93 0.02 0.00 0.00 176.95 179.10 3mer h GLU 96 N 5.87 0.00 -1.89 4.98 4.39 -1.21 0.45 114.58 127.17 3mer h GLU 96 Ca -0.36 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.32 3mer h GLU 96 Cb 1.16 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.60 3mer h GLU 96 CO 0.48 0.00 0.25 0.20 -1.16 0.00 0.00 179.01 178.78 3mer s GLY 97 N -3.85 -0.46 -0.14 -3.84 0.00 -1.11 -0.83 107.32 97.09 3mer s GLY 97 Ca 0.05 1.88 -0.03 0.00 0.00 0.00 0.00 44.72 46.62 3mer s GLY 97 CO 0.72 1.41 0.05 -0.42 0.00 0.00 0.00 173.10 174.85 3mer s ILE 98 N -0.36 0.23 -0.13 0.90 1.01 -0.61 -0.71 121.20 121.54 3mer s ILE 98 Ca -0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.41 3mer s ILE 98 Cb -0.03 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 3mer s ILE 98 CO 0.03 -0.07 0.03 0.68 0.00 0.00 0.00 174.94 175.61 3mer s VAL 99 N 2.01 4.53 -0.38 2.92 -7.23 0.12 -2.11 120.40 120.25 3mer s VAL 99 Ca 0.02 -0.15 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 3mer s VAL 99 Cb -0.15 -2.97 0.12 0.00 0.56 0.00 0.00 36.38 33.94 3mer s VAL 99 CO -0.07 0.55 0.16 -0.55 -0.31 0.00 0.00 175.10 174.88 3mer s SER 100 N -0.32 4.01 -0.35 4.85 0.15 0.19 -1.16 113.70 121.07 3mer s SER 100 Ca 0.08 -2.23 -0.09 0.00 0.70 0.00 0.00 55.95 54.40 3mer s SER 100 Cb -0.12 -1.11 0.02 0.00 -1.71 0.00 0.00 66.02 63.10 3mer s SER 100 CO 0.02 -0.33 0.15 -0.63 1.20 0.00 0.00 173.24 173.65 3mer s ILE 101 N 0.84 4.27 -1.49 6.45 1.01 -1.26 -1.56 121.20 129.47 3mer s ILE 101 Ca 0.14 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 3mer s ILE 101 Cb -0.21 -3.35 0.06 0.00 0.01 0.00 0.00 42.46 38.97 3mer s ILE 101 CO -0.10 -0.14 0.77 0.49 0.00 0.00 0.00 174.94 175.96 3mer n PHE 102 N 4.93 -1.99 -3.51 3.97 3.72 0.32 -4.91 117.46 119.99 3mer n PHE 102 Ca -0.13 0.84 -0.42 0.00 -0.05 0.00 0.00 57.45 57.70 3mer n PHE 102 Cb 0.46 -3.85 -0.05 0.00 -0.94 0.00 0.00 39.48 35.09 3mer n PHE 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mer s HIS 104 N -0.12 3.55 0.06 0.00 3.76 -1.26 -5.08 115.29 116.20 3mer s HIS 104 Ca 0.19 0.86 0.01 0.00 -0.15 0.00 0.00 55.06 55.97 3mer s HIS 104 Cb -0.14 -2.47 -0.03 0.00 1.11 0.00 0.00 32.58 31.05 3mer s HIS 104 CO -0.07 0.28 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.54 3mer s LEU 105 N 0.25 2.40 0.69 0.89 1.43 -1.26 -5.08 118.68 118.01 3mer s LEU 105 Ca 0.24 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.37 3mer s LEU 105 Cb -0.15 0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.11 3mer s LEU 105 CO 0.10 -0.42 1.13 -2.16 0.23 0.00 0.00 176.35 175.22 3mer s PRO 106 N -2.98 2.57 0.26 1.29 0.04 -1.26 -4.34 135.00 130.58 3mer s PRO 106 Ca 0.01 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 3mer s PRO 106 Cb 0.00 -1.92 0.53 0.00 0.04 0.00 0.00 34.50 33.15 3mer s PRO 106 CO -0.05 -1.44 1.69 0.77 0.04 0.00 0.00 177.00 178.02 3mer h SER 107 N -0.21 0.12 -0.60 6.66 0.02 -1.96 0.05 113.55 117.63 3mer h SER 107 Ca -0.46 0.14 0.08 0.00 -0.84 0.00 0.00 61.79 60.71 3mer h SER 107 Cb 1.25 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 3mer h SER 107 CO 0.53 -0.01 0.40 -1.28 -1.14 0.00 0.00 176.83 175.33 3mer h SER 108 N 0.32 0.45 0.63 3.07 0.87 -1.92 -0.63 113.55 116.35 3mer h SER 108 Ca 0.45 0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 60.74 3mer h SER 108 Cb 0.79 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 3mer h SER 108 CO -0.51 0.28 -1.36 0.25 -0.53 0.00 0.00 176.83 174.96 3mer h LEU 109 N 0.51 0.24 -0.81 2.23 6.46 -1.37 -3.24 115.31 119.32 3mer h LEU 109 Ca 0.27 -0.32 -0.12 0.00 -0.12 0.00 0.00 57.88 57.60 3mer h LEU 109 Cb 0.40 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 3mer h LEU 109 CO -0.08 1.26 -0.41 0.03 -0.62 0.00 0.00 178.44 178.62 3mer h ARG 110 N 0.04 0.39 0.00 1.25 3.08 -0.70 0.27 114.38 118.72 3mer h ARG 110 Ca -0.17 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 3mer h ARG 110 Cb 1.94 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.99 3mer h ARG 110 CO 0.15 0.74 -0.03 1.96 -1.07 0.00 0.00 179.97 181.72 3mer h GLN 111 N 0.33 0.00 0.07 0.04 4.20 -1.21 -1.36 115.11 117.17 3mer h GLN 111 Ca 0.03 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.47 3mer h GLN 111 Cb 0.86 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.62 3mer h GLN 111 CO 0.07 0.03 -1.43 0.37 -0.67 0.00 0.00 178.83 177.20 3mer h GLN 112 N 0.00 0.14 0.52 1.46 5.75 -1.45 -3.40 115.11 118.13 3mer h GLN 112 Ca -0.00 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.24 3mer h GLN 112 Cb 0.06 0.09 0.01 0.00 1.07 0.00 0.00 27.48 28.70 3mer h GLN 112 CO 0.00 1.11 -0.25 1.25 -2.65 0.00 0.00 178.83 178.30 3mer h LEU 113 N -0.53 -0.59 -0.99 -2.39 5.85 -0.83 -3.36 115.31 112.48 3mer h LEU 113 Ca -0.34 0.02 0.33 0.00 0.84 0.00 0.00 57.88 58.74 3mer h LEU 113 Cb 1.61 0.15 -0.16 0.00 0.37 0.00 0.00 40.66 42.63 3mer h LEU 113 CO -0.05 -0.21 0.51 1.88 -0.34 0.00 0.00 178.44 180.23 3mer h TYR 114 N -1.12 0.81 -0.16 1.25 -1.99 -1.49 0.28 116.97 114.56 3mer h TYR 114 Ca -0.07 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.67 3mer h TYR 114 Cb 0.53 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 3mer h TYR 114 CO 0.01 -0.26 -0.04 -1.35 -0.00 0.00 0.00 178.16 176.52 3mer h PRO 115 N 0.22 0.23 0.00 4.88 0.11 -1.77 0.23 132.00 135.91 3mer h PRO 115 Ca 0.74 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.66 3mer h PRO 115 Cb 1.74 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.78 3mer h PRO 115 CO -0.66 0.29 -0.72 0.87 -0.21 0.00 0.00 178.00 177.57 3mer h LYS 116 N 0.23 0.00 -0.02 1.05 1.57 -0.63 -2.57 116.57 116.20 3mer h LYS 116 Ca 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3mer h LYS 116 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3mer h LYS 116 CO 0.01 0.69 -0.02 0.28 -0.57 0.00 0.00 179.45 179.84 3mer h VAL 117 N 0.00 1.42 -0.33 0.50 2.07 -0.13 0.23 116.25 120.01 3mer h VAL 117 Ca -0.01 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.27 3mer h VAL 117 Cb 1.54 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 33.52 3mer h VAL 117 CO 0.09 0.34 0.06 0.22 0.02 0.00 0.00 177.57 178.30 3mer h TYR 118 N -0.48 0.09 0.00 1.57 3.20 -0.61 -2.16 116.97 118.59 3mer h TYR 118 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3mer h TYR 118 Cb 0.57 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.83 3mer h TYR 118 CO 0.11 0.01 -0.39 1.96 -1.64 0.00 0.00 178.16 178.21 3mer h GLN 119 N 0.17 0.00 0.00 1.82 4.20 -1.45 -3.03 115.11 116.82 3mer h GLN 119 Ca 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3mer h GLN 119 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 3mer h GLN 119 CO -0.21 0.39 -0.10 0.78 -0.67 0.00 0.00 178.83 179.02 3mer h GLY 120 N 1.50 0.00 -4.28 3.46 0.00 0.12 0.11 103.07 103.99 3mer h GLY 120 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3mer h GLY 120 CO 0.05 0.00 0.39 -2.27 0.00 0.00 0.00 176.54 174.72 3mer s LEU 121 N -6.45 4.43 0.58 3.11 2.96 -1.05 -1.23 118.68 121.04 3mer s LEU 121 Ca 0.01 1.78 -0.15 0.00 -0.22 0.00 0.00 54.13 55.56 3mer s LEU 121 Cb 0.09 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 3mer s LEU 121 CO 0.59 -0.21 1.02 -0.54 -1.32 0.00 0.00 176.35 175.90 3mer s LYS 122 N 0.52 3.58 0.22 1.98 1.02 0.15 -4.30 119.74 122.91 3mer s LYS 122 Ca 0.51 0.98 -0.32 0.00 0.02 0.00 0.00 55.97 57.16 3mer s LYS 122 Cb -0.23 -2.08 -0.13 0.00 -0.52 0.00 0.00 37.83 34.86 3mer s LYS 122 CO 0.29 -0.58 1.47 -2.30 -0.92 0.00 0.00 175.35 173.32 3mer n PRO 123 N -2.13 2.11 -0.03 -1.68 -0.02 -1.26 -0.05 135.00 131.94 3mer n PRO 123 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3mer n PRO 123 Cb 0.54 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3mer n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mer n GLY 124 N 2.55 1.67 3.78 -1.23 0.00 0.86 -4.94 105.19 107.89 3mer n GLY 124 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3mer n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mer s GLY 125 N -1.98 1.63 0.17 -0.02 0.00 0.92 -4.71 107.32 103.33 3mer s GLY 125 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 44.72 44.65 3mer s GLY 125 CO 0.00 0.30 -0.16 -1.34 0.00 0.00 0.00 173.10 171.90 3mer s VAL 126 N -3.08 1.63 -0.16 1.40 -7.23 -0.01 -1.35 120.40 111.60 3mer s VAL 126 Ca 0.61 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3mer s VAL 126 Cb -0.15 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 34.98 3mer s VAL 126 CO 0.55 -0.45 -0.18 0.12 -0.31 0.00 0.00 175.10 174.83 3mer s PHE 127 N -2.42 2.48 -0.07 2.82 2.19 0.97 -1.57 117.98 122.37 3mer s PHE 127 Ca 0.16 -1.39 0.04 0.00 0.33 0.00 0.00 56.93 56.07 3mer s PHE 127 Cb -0.04 -1.75 -0.02 0.00 -1.31 0.00 0.00 43.02 39.91 3mer s PHE 127 CO 0.05 -0.70 -0.18 -1.50 1.83 0.00 0.00 175.22 174.72 3mer s ILE 128 N 1.25 2.65 0.02 3.12 2.07 -0.90 -0.69 121.20 128.72 3mer s ILE 128 Ca 0.02 -0.85 0.01 0.00 -1.41 0.00 0.00 60.65 58.42 3mer s ILE 128 Cb -0.14 -2.03 -0.01 0.00 0.13 0.00 0.00 42.46 40.41 3mer s ILE 128 CO -0.09 0.57 -0.04 -0.22 -1.91 0.00 0.00 174.94 173.24 3mer s LEU 129 N -0.25 2.16 -0.17 8.50 0.20 0.11 -0.64 118.68 128.60 3mer s LEU 129 Ca 0.00 -0.35 -0.08 0.00 0.69 0.00 0.00 54.13 54.40 3mer s LEU 129 Cb -0.13 -0.07 0.07 0.00 -0.43 0.00 0.00 46.19 45.63 3mer s LEU 129 CO 0.03 -0.15 0.38 -0.70 -0.29 0.00 0.00 176.35 175.62 3mer s GLU 130 N -0.97 0.32 0.24 1.98 -6.30 -0.60 -1.03 118.70 112.34 3mer s GLU 130 Ca -0.08 0.83 -0.21 0.00 -2.50 0.00 0.00 54.97 53.02 3mer s GLU 130 Cb -0.07 0.07 0.07 0.00 0.00 0.00 0.00 34.13 34.20 3mer s GLU 130 CO -0.00 -0.20 0.94 0.20 0.02 0.00 0.00 175.26 176.22 3mer s GLY 131 N 1.88 0.13 0.29 -1.50 0.00 -0.95 0.12 107.32 107.29 3mer s GLY 131 Ca -0.06 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 43.98 3mer s GLY 131 CO -0.12 1.19 1.06 -1.36 0.00 0.00 0.00 173.10 173.87 3mer s PHE 132 N -2.44 3.61 0.60 1.90 0.08 -1.26 -0.60 117.98 119.87 3mer s PHE 132 Ca 0.18 1.73 -0.06 0.00 0.12 0.00 0.00 56.93 58.90 3mer s PHE 132 Cb -0.03 -3.21 0.01 0.00 -0.57 0.00 0.00 43.02 39.22 3mer s PHE 132 CO 0.07 -0.38 0.92 0.00 -0.10 0.00 0.00 175.22 175.73 3mer s ALA 133 N -1.24 3.26 0.38 5.36 0.00 0.55 -4.68 121.76 125.39 3mer s ALA 133 Ca 0.46 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.85 3mer s ALA 133 Cb -0.29 -2.65 0.83 0.00 0.00 0.00 0.00 23.12 21.01 3mer s ALA 133 CO 0.37 -0.83 1.96 -1.00 0.00 0.00 0.00 175.76 176.27 3mer h PRO 134 N -0.22 0.63 0.00 0.00 0.13 -1.80 -1.08 132.00 129.66 3mer h PRO 134 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3mer h PRO 134 Cb 1.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3mer h PRO 134 CO 0.61 0.42 0.00 -0.85 -0.23 0.00 0.00 178.00 177.95 3mer n GLU 135 N -4.49 0.06 0.31 0.86 0.00 -1.26 -2.31 120.64 113.82 3mer n GLU 135 Ca 0.11 0.28 0.20 0.00 0.00 0.00 0.00 57.16 57.75 3mer n GLU 135 Cb 0.29 -1.50 1.02 0.00 0.00 0.00 0.00 31.44 31.24 3mer n GLU 135 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 3mer h GLN 136 N 0.00 0.00 0.00 3.44 5.75 -1.43 -1.42 115.11 121.45 3mer h GLN 136 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 3mer h GLN 136 Cb 0.09 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 3mer h GLN 136 CO 0.00 0.00 -0.04 -0.07 -2.65 0.00 0.00 178.83 176.07 3mer h LEU 137 N 0.00 0.00 0.00 -2.39 3.38 -1.68 0.11 115.31 114.73 3mer h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mer h LEU 137 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3mer h LEU 137 CO 0.00 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3mer n GLN 138 N -3.42 0.04 -3.98 1.13 6.02 -0.53 -4.83 117.38 111.82 3mer n GLN 138 Ca -0.02 0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.79 3mer n GLN 138 Cb 0.16 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 3mer n GLN 138 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3mer s TYR 139 N -2.95 2.85 -0.21 1.08 2.02 0.02 -5.03 117.35 115.13 3mer s TYR 139 Ca 0.14 -0.30 0.14 0.00 -0.37 0.00 0.00 57.07 56.68 3mer s TYR 139 Cb 0.18 -1.66 0.44 0.00 -0.40 0.00 0.00 41.96 40.52 3mer s TYR 139 CO 0.48 0.31 1.32 0.09 -1.57 0.00 0.00 175.55 176.18 3mer n ASN 140 N -1.24 2.58 -1.12 2.29 3.02 -1.26 -4.67 115.26 114.85 3mer n ASN 140 Ca -0.03 -3.46 0.07 0.00 -0.03 0.00 0.00 54.58 51.13 3mer n ASN 140 Cb 0.60 -0.54 0.25 0.00 -0.61 0.00 0.00 39.78 39.48 3mer n ASN 140 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3mer n THR 141 N -1.07 1.07 0.00 3.41 -2.24 -1.26 -5.04 114.28 109.15 3mer n THR 141 Ca 0.23 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3mer n THR 141 Cb 0.82 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3mer n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mer n GLY 142 N 1.07 1.22 0.00 3.38 0.00 -1.26 -5.10 105.19 104.50 3mer n GLY 142 Ca 0.18 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3mer n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mer n GLY 143 N -1.02 0.80 3.80 -0.02 0.00 -1.26 -4.93 105.19 102.55 3mer n GLY 143 Ca 0.00 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 3mer n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mer s PRO 144 N -2.27 3.03 0.02 1.61 0.04 -1.26 -4.98 135.00 131.19 3mer s PRO 144 Ca 0.00 1.20 0.14 0.00 0.04 0.00 0.00 61.00 62.38 3mer s PRO 144 Cb 0.00 -1.99 -0.18 0.00 0.04 0.00 0.00 34.50 32.37 3mer s PRO 144 CO 0.00 -1.04 0.77 1.57 0.04 0.00 0.00 177.00 178.34 3mer h LYS 145 N -0.01 0.00 -6.16 4.56 2.10 -2.00 -3.46 116.57 111.59 3mer h LYS 145 Ca -0.46 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.62 3mer h LYS 145 Cb 1.23 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.52 3mer h LYS 145 CO 0.56 0.42 0.92 0.34 -2.00 0.00 0.00 179.45 179.69 3mer s ASP 146 N -5.98 6.91 0.60 7.07 2.15 -1.26 -4.89 116.67 121.27 3mer s ASP 146 Ca -0.03 1.71 0.40 0.00 0.43 0.00 0.00 52.55 55.06 3mer s ASP 146 Cb 0.08 -2.54 2.18 0.00 -0.30 0.00 0.00 42.92 42.35 3mer s ASP 146 CO 0.82 -0.79 2.23 0.25 -0.17 0.00 0.00 175.17 177.52 3mer h LEU 147 N 9.81 0.00 -1.83 -1.34 5.85 -1.93 -1.74 115.31 124.13 3mer h LEU 147 Ca -0.27 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3mer h LEU 147 Cb 1.11 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3mer h LEU 147 CO 0.97 0.00 -0.09 -0.78 -0.34 0.00 0.00 178.44 178.20 3mer h ASP 148 N 0.00 0.00 -0.03 1.25 3.58 -1.96 -1.18 116.42 118.09 3mer h ASP 148 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3mer h ASP 148 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3mer h ASP 148 CO 0.00 0.09 0.00 0.18 -2.88 0.00 0.00 179.24 176.63 3mer n LEU 149 N -3.38 2.77 -2.97 2.28 4.32 -0.65 -3.20 117.00 116.17 3mer n LEU 149 Ca -0.01 -0.93 -0.27 0.00 -0.02 0.00 0.00 56.01 54.78 3mer n LEU 149 Cb 0.26 -0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.02 3mer n LEU 149 CO 0.28 0.46 0.15 0.18 -1.22 0.00 0.00 177.39 177.24 3mer n LEU 150 N 1.17 4.45 -4.77 2.23 4.77 -0.44 -4.51 117.00 119.90 3mer n LEU 150 Ca 0.15 -5.67 -0.35 0.00 -0.03 0.00 0.00 56.01 50.10 3mer n LEU 150 Cb 0.56 -0.57 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3mer n LEU 150 CO 0.15 2.34 0.79 -2.16 -1.33 0.00 0.00 177.39 177.18 3mer s PRO 151 N -3.42 3.19 0.90 3.23 0.04 -1.26 -3.73 135.00 133.95 3mer s PRO 151 Ca 0.48 1.63 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 3mer s PRO 151 Cb 0.27 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.96 3mer s PRO 151 CO -0.13 -0.98 1.09 0.15 0.04 0.00 0.00 177.00 177.17 3mer s LYS 152 N -3.40 1.21 0.33 4.56 1.02 -1.26 -4.55 119.74 117.65 3mer s LYS 152 Ca 0.73 1.02 0.03 0.00 0.02 0.00 0.00 55.97 57.77 3mer s LYS 152 Cb -0.25 -1.79 0.63 0.00 -0.52 0.00 0.00 37.83 35.90 3mer s LYS 152 CO 0.30 -2.33 1.94 1.25 -0.92 0.00 0.00 175.35 175.59 3mer h LEU 153 N -1.62 0.79 -0.67 3.17 6.46 -1.96 -1.94 115.31 119.54 3mer h LEU 153 Ca -0.48 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.14 3mer h LEU 153 Cb 1.27 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 3mer h LEU 153 CO 0.51 0.51 -0.64 -0.33 -0.62 0.00 0.00 178.44 177.87 3mer h GLU 154 N 0.90 0.00 -0.34 1.25 5.08 -1.99 -2.36 114.58 117.12 3mer h GLU 154 Ca 0.34 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.54 3mer h GLU 154 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3mer h GLU 154 CO -0.12 0.64 -0.45 1.15 -1.00 0.00 0.00 179.01 179.24 3mer h THR 155 N 0.00 1.28 -0.35 1.13 2.02 -1.72 -2.02 112.91 113.24 3mer h THR 155 Ca -0.01 -1.63 -0.04 0.00 0.77 0.00 0.00 66.41 65.51 3mer h THR 155 Cb 1.17 1.49 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 3mer h THR 155 CO 0.08 0.54 0.08 -0.07 0.37 0.00 0.00 175.52 176.52 3mer h LEU 156 N 0.70 0.55 -1.25 2.58 3.38 -1.36 -2.84 115.31 117.07 3mer h LEU 156 Ca 0.04 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.83 3mer h LEU 156 Cb 1.04 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 3mer h LEU 156 CO 0.10 0.64 0.54 1.56 0.09 0.00 0.00 178.44 181.38 3mer h GLN 157 N 0.42 0.89 0.00 1.13 4.20 -1.30 -0.16 115.11 120.29 3mer h GLN 157 Ca 0.11 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3mer h GLN 157 Cb 0.32 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3mer h GLN 157 CO 0.00 0.59 0.00 -1.13 -0.67 0.00 0.00 178.83 177.62 3mer n SER 158 N -4.48 0.00 -0.29 1.46 3.41 -0.77 -1.77 113.62 111.18 3mer n SER 158 Ca 0.12 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.27 3mer n SER 158 Cb 0.20 -0.46 0.35 0.00 -0.26 0.00 0.00 64.21 64.04 3mer n SER 158 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3mer n GLU 159 N -1.46 0.95 -2.72 4.33 1.02 -0.07 -4.05 120.64 118.63 3mer n GLU 159 Ca 0.05 -0.59 -0.05 0.00 -0.02 0.00 0.00 57.16 56.55 3mer n GLU 159 Cb 0.20 -1.49 0.07 0.00 -0.02 0.00 0.00 31.44 30.21 3mer n GLU 159 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3mer n LEU 160 N -0.51 0.27 -0.44 -4.62 4.77 -0.73 -4.55 117.00 111.20 3mer n LEU 160 Ca 0.12 -3.39 0.36 0.00 -0.03 0.00 0.00 56.01 53.07 3mer n LEU 160 Cb 0.36 0.30 0.65 0.00 -2.33 0.00 0.00 43.42 42.40 3mer n LEU 160 CO 0.25 1.52 1.27 1.55 -1.33 0.00 0.00 177.39 180.65 3mer h PRO 161 N 2.35 0.12 -0.03 3.23 0.13 -1.53 -1.65 132.00 134.61 3mer h PRO 161 Ca -0.21 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3mer h PRO 161 Cb 1.25 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3mer h PRO 161 CO 0.18 0.08 0.00 0.43 -0.23 0.00 0.00 178.00 178.45 3mer n SER 162 N -4.56 0.85 -4.83 1.44 7.64 -1.26 -4.86 113.62 108.04 3mer n SER 162 Ca 0.35 -1.37 -0.32 0.00 1.01 0.00 0.00 58.87 58.53 3mer n SER 162 Cb 1.38 -0.02 -0.05 0.00 -1.01 0.00 0.00 64.21 64.51 3mer n SER 162 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3mer s LEU 163 N -1.86 3.79 -0.40 -3.43 2.96 -0.62 -4.54 118.68 114.58 3mer s LEU 163 Ca 0.39 1.59 -0.16 0.00 -0.22 0.00 0.00 54.13 55.73 3mer s LEU 163 Cb 0.19 -4.48 0.01 0.00 0.50 0.00 0.00 46.19 42.42 3mer s LEU 163 CO 0.32 -0.46 0.35 0.21 -1.32 0.00 0.00 176.35 175.44 3mer s ASN 164 N -2.64 6.14 -0.83 3.68 3.04 0.80 -4.86 114.94 120.27 3mer s ASN 164 Ca 0.60 -0.72 -0.25 0.00 0.04 0.00 0.00 52.86 52.53 3mer s ASN 164 Cb -0.10 -2.18 0.04 0.00 -1.54 0.00 0.00 41.25 37.47 3mer s ASN 164 CO 0.22 -0.47 1.33 0.26 -3.04 0.00 0.00 177.10 175.40 3mer s TRP 165 N 1.87 2.38 0.19 0.43 0.52 -1.26 0.53 118.94 123.61 3mer s TRP 165 Ca 0.08 -0.34 0.19 0.00 0.02 0.00 0.00 56.10 56.06 3mer s TRP 165 Cb -0.18 -4.64 0.76 0.00 -1.15 0.00 0.00 33.47 28.26 3mer s TRP 165 CO 0.11 -2.02 1.77 -0.07 0.02 0.00 0.00 176.95 176.77 3mer h LEU 166 N 12.88 0.00 -7.45 2.99 3.38 -0.78 -3.44 115.31 122.89 3mer h LEU 166 Ca -0.12 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 3mer h LEU 166 Cb 1.04 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.52 3mer h LEU 166 CO 1.32 0.34 -0.46 -0.63 0.09 0.00 0.00 178.44 179.11 3mer s ILE 167 N -3.69 -0.01 -0.30 1.22 1.01 -1.07 -4.97 121.20 113.40 3mer s ILE 167 Ca -0.00 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3mer s ILE 167 Cb 0.11 -0.35 0.17 0.00 0.01 0.00 0.00 42.46 42.41 3mer s ILE 167 CO 0.68 0.02 0.46 0.00 0.00 0.00 0.00 174.94 176.10 3mer s ALA 168 N 0.50 -1.50 0.00 9.38 0.00 -1.25 -1.08 121.76 127.82 3mer s ALA 168 Ca -0.03 0.36 0.07 0.00 0.00 0.00 0.00 51.96 52.36 3mer s ALA 168 Cb -0.05 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.83 3mer s ALA 168 CO -0.03 -1.81 -0.23 -0.80 0.00 0.00 0.00 175.76 172.90 3mer s ASN 169 N 2.54 3.37 -0.26 0.00 0.01 0.47 -4.97 114.94 116.10 3mer s ASN 169 Ca 0.10 -0.45 -0.02 0.00 -0.71 0.00 0.00 52.86 51.78 3mer s ASN 169 Cb -0.12 -0.46 0.03 0.00 0.41 0.00 0.00 41.25 41.12 3mer s ASN 169 CO -0.27 0.30 -0.04 0.20 -1.51 0.00 0.00 177.10 175.78 3mer s ASN 170 N -0.95 4.51 0.03 -1.22 0.01 -1.26 -0.62 114.94 115.43 3mer s ASN 170 Ca 0.12 -0.95 0.08 0.00 -0.71 0.00 0.00 52.86 51.39 3mer s ASN 170 Cb -0.10 -1.69 -0.03 0.00 0.41 0.00 0.00 41.25 39.84 3mer s ASN 170 CO 0.01 -0.16 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.45 3mer s LEU 171 N 1.32 2.35 -0.05 0.60 1.43 0.11 -4.99 118.68 119.45 3mer s LEU 171 Ca -0.01 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3mer s LEU 171 Cb -0.17 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.69 3mer s LEU 171 CO -0.03 0.27 0.10 -1.61 0.23 0.00 0.00 176.35 175.31 3mer s GLU 172 N -1.20 0.01 -0.01 1.70 2.02 -1.26 -0.23 118.70 119.73 3mer s GLU 172 Ca 0.13 0.35 0.02 0.00 0.02 0.00 0.00 54.97 55.48 3mer s GLU 172 Cb -0.10 -0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.86 3mer s GLU 172 CO 0.03 -0.22 -0.07 -0.98 0.02 0.00 0.00 175.26 174.04 3mer s ARG 173 N 1.48 0.66 -0.34 1.61 1.70 -0.59 -5.00 118.95 118.48 3mer s ARG 173 Ca -0.05 -0.26 0.02 0.00 -0.47 0.00 0.00 55.73 54.97 3mer s ARG 173 Cb -0.12 -0.64 0.15 0.00 -0.57 0.00 0.00 34.95 33.77 3mer s ARG 173 CO -0.05 0.14 0.37 1.21 -1.08 0.00 0.00 175.30 175.89 3mer s ASN 174 N -0.05 1.10 -0.29 -2.89 2.47 -1.26 -0.89 114.94 113.13 3mer s ASN 174 Ca 0.01 -1.12 -0.16 0.00 0.42 0.00 0.00 52.86 52.00 3mer s ASN 174 Cb -0.04 0.68 0.18 0.00 -1.45 0.00 0.00 41.25 40.61 3mer s ASN 174 CO -0.00 -0.31 1.13 -1.59 -3.72 0.00 0.00 177.10 172.61 3mer s LYS 184 N 1.90 0.21 -0.19 0.43 -2.85 -1.26 -5.26 119.74 112.72 3mer s LYS 184 Ca 0.13 0.36 -0.35 0.00 -1.00 0.00 0.00 55.97 55.12 3mer s LYS 184 Cb -0.14 0.05 0.14 0.00 -2.06 0.00 0.00 37.83 35.81 3mer s LYS 184 CO -0.17 -0.04 1.22 0.00 0.10 0.00 0.00 175.35 176.46 3mer s ALA 185 N 1.13 -2.08 -0.21 0.59 0.00 -0.07 -4.68 121.76 116.44 3mer s ALA 185 Ca -0.08 1.57 -0.02 0.00 0.00 0.00 0.00 51.96 53.43 3mer s ALA 185 Cb -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3mer s ALA 185 CO -0.12 -0.61 -0.08 0.00 0.00 0.00 0.00 175.76 174.94 3mer s ALA 186 N -2.41 2.68 0.15 0.00 0.00 -1.26 -1.54 121.76 119.38 3mer s ALA 186 Ca 0.10 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.90 3mer s ALA 186 Cb -0.01 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 3mer s ALA 186 CO -0.05 -0.46 -0.12 -0.51 0.00 0.00 0.00 175.76 174.63 3mer s LEU 187 N 1.41 2.50 -0.02 0.00 1.43 0.68 -0.33 118.68 124.35 3mer s LEU 187 Ca 0.05 -0.95 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 3mer s LEU 187 Cb -0.14 -0.47 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 3mer s LEU 187 CO -0.06 -0.24 -0.21 0.27 0.23 0.00 0.00 176.35 176.34 3mer s ILE 188 N -2.90 1.70 -0.05 -0.59 -4.36 0.23 0.04 121.20 115.26 3mer s ILE 188 Ca 0.16 -0.91 0.02 0.00 -0.26 0.00 0.00 60.65 59.66 3mer s ILE 188 Cb -0.00 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.30 3mer s ILE 188 CO 0.03 0.48 -0.11 -1.10 0.24 0.00 0.00 174.94 174.48 3mer s GLN 189 N -0.39 1.42 -0.00 0.37 -0.21 0.21 -2.24 119.66 118.81 3mer s GLN 189 Ca 0.05 -0.35 0.01 0.00 0.02 0.00 0.00 55.36 55.10 3mer s GLN 189 Cb -0.09 -1.23 -0.00 0.00 1.00 0.00 0.00 33.01 32.69 3mer s GLN 189 CO 0.00 0.03 -0.05 -0.51 -2.12 0.00 0.00 175.29 172.65 3mer s LEU 190 N 0.60 1.99 -0.27 2.90 1.43 -0.20 -0.39 118.68 124.73 3mer s LEU 190 Ca -0.12 -0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3mer s LEU 190 Cb -0.14 -0.25 0.09 0.00 0.03 0.00 0.00 46.19 45.92 3mer s LEU 190 CO 0.02 0.05 0.07 -0.22 0.23 0.00 0.00 176.35 176.51 3mer s LEU 191 N -0.08 1.83 -0.13 1.79 2.96 -0.24 -0.71 118.68 124.10 3mer s LEU 191 Ca 0.01 -1.34 -0.02 0.00 -0.22 0.00 0.00 54.13 52.57 3mer s LEU 191 Cb -0.02 -0.77 -0.02 0.00 0.50 0.00 0.00 46.19 45.87 3mer s LEU 191 CO -0.00 -0.37 -0.07 -0.83 -1.32 0.00 0.00 176.35 173.76 3mer s GLY 192 N 1.71 1.67 -0.12 7.98 0.00 0.13 0.01 107.32 118.70 3mer s GLY 192 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.93 3mer s GLY 192 CO -0.20 -0.22 -0.13 1.62 0.00 0.00 0.00 173.10 174.17 3mer s GLN 193 N 0.12 3.25 0.08 2.90 0.74 0.19 -0.02 119.66 126.91 3mer s GLN 193 Ca -0.03 -0.68 -0.30 0.00 0.05 0.00 0.00 55.36 54.40 3mer s GLN 193 Cb -0.14 -2.60 -0.06 0.00 1.10 0.00 0.00 33.01 31.32 3mer s GLN 193 CO 0.03 0.28 1.14 0.21 -0.55 0.00 0.00 175.29 176.41 3mer s LYS 194 N 0.17 4.49 0.93 1.67 2.20 -0.46 -0.14 119.74 128.60 3mer s LYS 194 Ca -0.07 1.70 -0.10 0.00 -0.36 0.00 0.00 55.97 57.14 3mer s LYS 194 Cb -0.15 -3.35 0.14 0.00 -1.51 0.00 0.00 37.83 32.96 3mer s LYS 194 CO 0.05 -0.15 1.04 1.28 -0.36 0.00 0.00 175.35 177.21 3mer n LEU 195 N 3.57 2.76 -4.90 5.43 4.77 -1.26 -0.10 117.00 127.28 3mer n LEU 195 Ca 0.07 0.40 -0.29 0.00 -0.03 0.00 0.00 56.01 56.16 3mer n LEU 195 Cb 0.47 -1.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.09 3mer n LEU 195 CO 0.55 -2.39 0.26 -1.61 -1.33 0.00 0.00 177.39 172.87 3mer s GLU 196 N -4.49 3.67 0.00 3.23 0.41 -1.26 -3.80 118.70 116.45 3mer s GLU 196 Ca 0.66 0.12 0.26 0.00 -0.41 0.00 0.00 54.97 55.59 3mer s GLU 196 Cb -0.23 -2.59 1.55 0.00 -1.78 0.00 0.00 34.13 31.09 3mer s GLU 196 CO 0.59 0.15 1.90 0.72 -0.49 0.00 0.00 175.26 178.14