#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bg5 s ILE 37 N 0.00 4.47 -0.03 -0.39 1.01 -1.26 -4.95 121.20 120.05 3bg5 s ILE 37 Ca 0.00 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3bg5 s ILE 37 Cb 0.00 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3bg5 s ILE 37 CO 0.00 0.27 -0.02 0.29 0.00 0.00 0.00 174.94 175.49 3bg5 n LYS 38 N 4.95 1.28 -5.25 2.79 5.02 -1.26 -4.80 118.16 120.89 3bg5 n LYS 38 Ca -0.15 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.83 3bg5 n LYS 38 Cb 0.51 -1.06 -0.17 0.00 -0.02 0.00 0.00 35.03 34.29 3bg5 n LYS 38 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3bg5 s LYS 39 N -2.06 2.75 -0.10 1.97 -0.14 -1.26 -1.07 119.74 119.82 3bg5 s LYS 39 Ca -0.03 -0.90 0.03 0.00 -1.36 0.00 0.00 55.97 53.71 3bg5 s LYS 39 Cb 0.01 -2.22 0.01 0.00 -1.68 0.00 0.00 37.83 33.95 3bg5 s LYS 39 CO 0.08 0.30 -0.18 -1.17 -0.76 0.00 0.00 175.35 173.63 3bg5 s LEU 40 N 0.03 1.85 -0.12 3.17 0.20 0.11 -1.75 118.68 122.18 3bg5 s LEU 40 Ca -0.10 -0.46 -0.03 0.00 0.69 0.00 0.00 54.13 54.23 3bg5 s LEU 40 Cb -0.15 -1.16 -0.03 0.00 -0.43 0.00 0.00 46.19 44.41 3bg5 s LEU 40 CO 0.06 0.06 0.01 -0.22 -0.29 0.00 0.00 176.35 175.97 3bg5 s LEU 41 N 0.73 3.59 -0.32 -0.68 0.20 -0.49 0.12 118.68 121.84 3bg5 s LEU 41 Ca -0.11 0.09 -0.08 0.00 0.69 0.00 0.00 54.13 54.72 3bg5 s LEU 41 Cb -0.16 -1.85 0.01 0.00 -0.43 0.00 0.00 46.19 43.77 3bg5 s LEU 41 CO 0.02 0.30 0.12 -0.69 -0.29 0.00 0.00 176.35 175.82 3bg5 s VAL 42 N -0.43 4.21 -1.45 1.68 1.01 -0.67 -0.99 120.40 123.76 3bg5 s VAL 42 Ca 0.08 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 3bg5 s VAL 42 Cb -0.12 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.08 3bg5 s VAL 42 CO 0.02 0.00 2.21 0.00 0.00 0.00 0.00 175.10 177.34 3bg5 n ALA 43 N 4.91 5.47 -3.89 5.51 0.00 -0.95 -4.05 120.51 127.52 3bg5 n ALA 43 Ca -0.14 -3.87 0.02 0.00 0.00 0.00 0.00 53.44 49.46 3bg5 n ALA 43 Cb 0.48 -3.54 0.01 0.00 0.00 0.00 0.00 19.45 16.39 3bg5 n ALA 43 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3bg5 s ASN 44 N 3.25 -0.01 0.20 0.00 2.47 -1.26 -4.64 114.94 114.95 3bg5 s ASN 44 Ca 0.47 -0.18 -0.01 0.00 0.42 0.00 0.00 52.86 53.57 3bg5 s ASN 44 Cb 0.14 0.14 -0.04 0.00 -1.45 0.00 0.00 41.25 40.04 3bg5 s ASN 44 CO -0.08 -0.28 0.11 0.00 -3.72 0.00 0.00 177.10 173.13 3bg5 s ARG 45 N -2.11 1.19 2.69 0.43 1.70 -1.26 -4.57 118.95 117.01 3bg5 s ARG 45 Ca 0.25 -1.62 0.00 0.00 -0.47 0.00 0.00 55.73 53.89 3bg5 s ARG 45 Cb 0.01 0.17 0.00 0.00 -0.57 0.00 0.00 34.95 34.56 3bg5 s ARG 45 CO -0.02 -0.35 0.00 0.41 -1.08 0.00 0.00 175.30 174.26 3bg5 n GLY 46 N -0.27 -0.58 0.20 3.88 0.00 -1.26 -3.76 105.19 103.39 3bg5 n GLY 46 Ca 0.00 -1.12 -0.02 0.00 0.00 0.00 0.00 46.02 44.88 3bg5 n GLY 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3bg5 h GLU 47 N 0.00 0.19 -0.71 1.61 -0.00 -1.87 -2.19 114.58 111.61 3bg5 h GLU 47 Ca 0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.31 3bg5 h GLU 47 Cb 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 28.68 3bg5 h GLU 47 CO 0.00 0.12 0.30 0.97 -0.00 0.00 0.00 179.01 180.40 3bg5 h ILE 48 N 0.19 1.24 0.18 -1.06 6.09 -1.90 0.62 117.51 122.88 3bg5 h ILE 48 Ca 0.25 -0.74 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3bg5 h ILE 48 Cb 0.34 0.41 -0.01 0.00 0.47 0.00 0.00 36.82 38.04 3bg5 h ILE 48 CO -0.35 0.30 -0.14 0.00 -3.07 0.00 0.00 178.15 174.89 3bg5 h ALA 49 N 1.14 -0.31 -0.95 0.18 0.00 -1.50 0.20 119.26 118.01 3bg5 h ALA 49 Ca 0.24 -0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.23 3bg5 h ALA 49 Cb 0.18 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 3bg5 h ALA 49 CO -0.02 -0.69 0.58 0.82 0.00 0.00 0.00 179.25 179.94 3bg5 h ILE 50 N -0.33 0.86 -0.11 0.00 2.04 -1.20 0.13 117.51 118.90 3bg5 h ILE 50 Ca -0.01 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3bg5 h ILE 50 Cb 0.30 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3bg5 h ILE 50 CO -0.02 0.16 0.03 -0.09 0.00 0.00 0.00 178.15 178.23 3bg5 h ARG 51 N 0.88 0.18 -0.75 2.37 9.65 0.27 -2.31 114.38 124.68 3bg5 h ARG 51 Ca 0.49 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.30 3bg5 h ARG 51 Cb 0.55 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.07 3bg5 h ARG 51 CO -0.29 0.35 0.34 0.82 2.80 0.00 0.00 179.97 183.99 3bg5 h ILE 52 N -0.02 1.24 -0.93 1.20 2.04 -0.05 -2.49 117.51 118.49 3bg5 h ILE 52 Ca 0.04 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.26 3bg5 h ILE 52 Cb 0.25 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 3bg5 h ILE 52 CO 0.00 0.29 0.60 -0.26 0.00 0.00 0.00 178.15 178.78 3bg5 h PHE 53 N 1.07 1.11 -0.04 1.37 0.05 -0.72 -1.21 116.94 118.56 3bg5 h PHE 53 Ca 0.26 0.03 -0.19 0.00 3.82 0.00 0.00 57.97 61.88 3bg5 h PHE 53 Cb 0.13 -0.36 -0.00 0.00 2.00 0.00 0.00 35.95 37.71 3bg5 h PHE 53 CO 0.01 0.60 -0.80 -0.09 -0.18 0.00 0.00 178.31 177.85 3bg5 h ARG 54 N 1.11 0.36 -0.55 1.51 2.43 -0.99 0.18 114.38 118.43 3bg5 h ARG 54 Ca 0.39 -0.33 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3bg5 h ARG 54 Cb 0.10 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3bg5 h ARG 54 CO -0.15 0.99 0.02 0.00 -1.51 0.00 0.00 179.97 179.32 3bg5 h ALA 55 N 0.90 0.74 -0.37 2.80 0.00 -1.20 -1.77 119.26 120.37 3bg5 h ALA 55 Ca -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3bg5 h ALA 55 Cb 1.40 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3bg5 h ALA 55 CO 0.13 0.55 0.13 0.00 0.00 0.00 0.00 179.25 180.07 3bg5 h ALA 56 N 0.97 0.48 -0.01 0.00 0.00 -1.05 -2.67 119.26 116.96 3bg5 h ALA 56 Ca 0.16 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3bg5 h ALA 56 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3bg5 h ALA 56 CO 0.03 0.10 -0.11 0.00 0.00 0.00 0.00 179.25 179.27 3bg5 h ALA 57 N 0.97 -0.11 0.00 0.00 0.00 -0.51 -0.71 119.26 118.90 3bg5 h ALA 57 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3bg5 h ALA 57 Cb 0.22 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3bg5 h ALA 57 CO -0.01 -0.59 0.23 0.93 0.00 0.00 0.00 179.25 179.80 3bg5 h GLU 58 N -0.18 0.00 -0.61 0.00 5.08 -1.26 0.25 114.58 117.87 3bg5 h GLU 58 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3bg5 h GLU 58 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3bg5 h GLU 58 CO -0.12 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.17 3bg5 n LEU 59 N -2.74 4.31 -2.26 1.33 4.77 -0.39 -4.94 117.00 117.07 3bg5 n LEU 59 Ca -0.02 -2.32 -0.18 0.00 -0.03 0.00 0.00 56.01 53.46 3bg5 n LEU 59 Cb 0.27 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3bg5 n LEU 59 CO 0.13 0.84 -0.22 0.47 -1.33 0.00 0.00 177.39 177.28 3bg5 n ASP 60 N 1.07 -5.09 -4.74 -1.43 10.43 0.89 -4.97 116.55 112.70 3bg5 n ASP 60 Ca 0.24 0.13 -0.37 0.00 2.57 0.00 0.00 54.79 57.36 3bg5 n ASP 60 Cb 0.77 -4.32 -0.07 0.00 1.84 0.00 0.00 41.12 39.35 3bg5 n ASP 60 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3bg5 s ILE 61 N -2.82 5.29 0.37 0.53 1.01 -0.51 -5.00 121.20 120.07 3bg5 s ILE 61 Ca 0.00 0.58 -0.27 0.00 0.00 0.00 0.00 60.65 60.96 3bg5 s ILE 61 Cb 0.00 -3.64 -0.09 0.00 0.01 0.00 0.00 42.46 38.74 3bg5 s ILE 61 CO 0.00 0.40 1.21 -0.55 0.00 0.00 0.00 174.94 176.01 3bg5 s SER 62 N 0.33 6.65 0.15 3.58 0.15 -0.23 -3.92 113.70 120.41 3bg5 s SER 62 Ca 0.17 2.47 0.09 0.00 0.70 0.00 0.00 55.95 59.38 3bg5 s SER 62 Cb -0.13 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.51 3bg5 s SER 62 CO 0.05 -0.59 -0.13 0.42 1.20 0.00 0.00 173.24 174.18 3bg5 s THR 63 N -1.29 3.06 -0.07 6.45 -4.23 -1.26 0.06 115.64 118.36 3bg5 s THR 63 Ca 0.53 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3bg5 s THR 63 Cb -0.34 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.05 3bg5 s THR 63 CO 0.44 -0.01 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.73 3bg5 s VAL 64 N -1.46 0.93 0.08 2.29 1.01 0.33 -2.21 120.40 121.38 3bg5 s VAL 64 Ca 0.22 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3bg5 s VAL 64 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3bg5 s VAL 64 CO 0.13 0.33 0.17 0.00 0.00 0.00 0.00 175.10 175.72 3bg5 s ALA 65 N 1.08 3.83 0.03 5.51 0.00 -0.31 -1.68 121.76 130.22 3bg5 s ALA 65 Ca -0.07 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.02 3bg5 s ALA 65 Cb -0.14 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 3bg5 s ALA 65 CO -0.01 0.75 -0.24 0.96 0.00 0.00 0.00 175.76 177.22 3bg5 s ILE 66 N -1.51 1.91 0.05 0.00 -4.36 -1.26 -1.82 121.20 114.21 3bg5 s ILE 66 Ca 0.33 -1.21 -0.02 0.00 -0.26 0.00 0.00 60.65 59.48 3bg5 s ILE 66 Cb -0.12 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.93 3bg5 s ILE 66 CO 0.26 0.36 -0.00 -0.72 0.24 0.00 0.00 174.94 175.08 3bg5 s TYR 67 N -0.73 0.47 0.00 1.37 1.13 -0.73 -4.78 117.35 114.08 3bg5 s TYR 67 Ca 0.10 -1.00 0.00 0.00 -1.41 0.00 0.00 57.07 54.76 3bg5 s TYR 67 Cb -0.09 -0.35 0.00 0.00 -1.10 0.00 0.00 41.96 40.42 3bg5 s TYR 67 CO 0.01 -0.39 0.00 -1.13 -2.51 0.00 0.00 175.55 171.53 3bg5 n SER 68 N 0.14 0.17 -0.06 -0.18 3.41 -1.26 -1.05 113.62 114.80 3bg5 n SER 68 Ca -0.14 -0.89 -0.14 0.00 -0.26 0.00 0.00 58.87 57.44 3bg5 n SER 68 Cb 0.61 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 3bg5 n SER 68 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3bg5 h ASN 69 N 0.00 0.46 0.65 4.04 4.21 -1.88 -2.88 115.58 120.17 3bg5 h ASN 69 Ca 0.00 -0.51 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3bg5 h ASN 69 Cb 0.00 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.07 3bg5 h ASN 69 CO 0.00 0.88 -0.26 -1.84 -1.29 0.00 0.00 177.43 174.92 3bg5 n GLU 70 N -4.47 0.12 -0.11 0.81 0.00 -1.26 -3.09 120.64 112.64 3bg5 n GLU 70 Ca -0.06 -0.05 0.05 0.00 0.00 0.00 0.00 57.16 57.10 3bg5 n GLU 70 Cb 0.41 -1.50 0.17 0.00 0.00 0.00 0.00 31.44 30.53 3bg5 n GLU 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3bg5 n ASP 71 N -1.40 1.29 -0.39 -1.84 8.00 -1.16 -4.12 116.55 116.93 3bg5 n ASP 71 Ca 0.07 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.65 3bg5 n ASP 71 Cb 0.33 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 3bg5 n ASP 71 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3bg5 n LYS 72 N 0.18 0.30 0.00 -1.24 5.02 -1.10 -1.96 118.16 119.36 3bg5 n LYS 72 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3bg5 n LYS 72 Cb 0.22 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3bg5 n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3bg5 n SER 73 N 0.17 0.00 -4.74 4.39 3.41 -1.26 -5.10 113.62 110.49 3bg5 n SER 73 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.19 3bg5 n SER 73 Cb 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.99 3bg5 n SER 73 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3bg5 s SER 74 N 0.00 6.58 0.57 4.04 0.15 -0.83 -4.91 113.70 119.31 3bg5 s SER 74 Ca 0.00 2.71 0.30 0.00 0.70 0.00 0.00 55.95 59.66 3bg5 s SER 74 Cb 0.00 -2.62 1.71 0.00 -1.71 0.00 0.00 66.02 63.40 3bg5 s SER 74 CO 0.00 -0.77 2.19 -0.07 1.20 0.00 0.00 173.24 175.79 3bg5 h LEU 75 N 5.40 0.00 -1.51 3.45 3.38 -1.90 -2.49 115.31 121.65 3bg5 h LEU 75 Ca -0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.47 3bg5 h LEU 75 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3bg5 h LEU 75 CO 0.81 0.05 -0.21 1.12 0.09 0.00 0.00 178.44 180.30 3bg5 h HIS 76 N 0.00 0.05 -0.02 1.13 2.07 -1.91 -2.00 115.15 114.48 3bg5 h HIS 76 Ca -0.00 -0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 3bg5 h HIS 76 Cb 0.15 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 30.10 3bg5 h HIS 76 CO 0.00 0.26 -0.17 -0.09 -3.07 0.00 0.00 177.93 174.86 3bg5 h ARG 77 N 0.05 0.03 0.00 5.12 2.43 -1.77 -2.75 114.38 117.48 3bg5 h ARG 77 Ca 0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bg5 h ARG 77 Cb 0.40 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3bg5 h ARG 77 CO 0.03 0.20 -0.61 0.66 -1.51 0.00 0.00 179.97 178.74 3bg5 n TYR 78 N -4.33 0.11 0.96 2.20 0.53 -0.76 -4.29 117.16 111.59 3bg5 n TYR 78 Ca -0.02 0.03 0.12 0.00 -1.02 0.00 0.00 57.90 57.01 3bg5 n TYR 78 Cb 0.24 -0.31 0.17 0.00 -1.03 0.00 0.00 39.34 38.41 3bg5 n TYR 78 CO 0.00 0.00 0.00 1.63 -1.02 0.00 0.00 176.86 177.47 3bg5 n LYS 79 N -1.63 2.27 -3.78 -0.72 5.02 -1.04 -4.90 118.16 113.38 3bg5 n LYS 79 Ca 0.05 -1.85 -0.21 0.00 -2.02 0.00 0.00 58.31 54.28 3bg5 n LYS 79 Cb 0.36 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.88 3bg5 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bg5 s ALA 80 N -1.92 3.94 0.11 7.82 0.00 -1.25 -4.93 121.76 125.53 3bg5 s ALA 80 Ca 0.31 -1.49 -0.15 0.00 0.00 0.00 0.00 51.96 50.62 3bg5 s ALA 80 Cb 0.20 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.84 3bg5 s ALA 80 CO 0.31 0.07 1.50 -0.44 0.00 0.00 0.00 175.76 177.19 3bg5 h ASP 81 N 1.16 0.70 -3.33 0.00 3.45 -1.87 -3.44 116.42 113.10 3bg5 h ASP 81 Ca -0.47 -0.38 -0.65 0.00 0.43 0.00 0.00 57.03 55.96 3bg5 h ASP 81 Cb 1.25 -0.19 -0.19 0.00 -0.56 0.00 0.00 39.33 39.63 3bg5 h ASP 81 CO 0.57 0.93 -0.83 -1.61 -1.57 0.00 0.00 179.24 176.73 3bg5 s GLU 82 N -4.70 1.48 0.02 3.56 2.02 -0.94 -5.04 118.70 115.10 3bg5 s GLU 82 Ca -0.13 -1.49 -0.00 0.00 0.02 0.00 0.00 54.97 53.37 3bg5 s GLU 82 Cb 0.09 -1.82 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 3bg5 s GLU 82 CO 0.81 0.40 -0.02 -1.54 0.02 0.00 0.00 175.26 174.93 3bg5 s SER 83 N -2.57 0.21 -0.04 -0.19 1.04 -1.26 -1.16 113.70 109.73 3bg5 s SER 83 Ca 0.19 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 3bg5 s SER 83 Cb -0.08 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.16 3bg5 s SER 83 CO 0.09 -0.28 0.08 -0.31 0.98 0.00 0.00 173.24 173.80 3bg5 s TYR 84 N -1.33 -0.07 0.12 5.02 1.51 -0.76 -4.96 117.35 116.88 3bg5 s TYR 84 Ca -0.15 0.27 -0.31 0.00 -1.01 0.00 0.00 57.07 55.87 3bg5 s TYR 84 Cb -0.09 -0.09 -0.08 0.00 -0.11 0.00 0.00 41.96 41.59 3bg5 s TYR 84 CO -0.01 -0.10 1.37 -1.17 -1.11 0.00 0.00 175.55 174.54 3bg5 s LEU 85 N 0.72 4.37 -0.52 -1.29 2.96 -1.26 -1.78 118.68 121.89 3bg5 s LEU 85 Ca -0.06 2.31 -0.15 0.00 -0.22 0.00 0.00 54.13 56.01 3bg5 s LEU 85 Cb -0.08 -3.59 0.12 0.00 0.50 0.00 0.00 46.19 43.14 3bg5 s LEU 85 CO -0.03 -0.63 0.46 -0.69 -1.32 0.00 0.00 176.35 174.14 3bg5 s VAL 86 N 1.02 5.09 -0.16 1.68 1.01 -0.22 -4.81 120.40 124.01 3bg5 s VAL 86 Ca 0.64 -1.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3bg5 s VAL 86 Cb -0.36 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 31.82 3bg5 s VAL 86 CO 0.31 -0.81 0.21 0.61 0.00 0.00 0.00 175.10 175.42 3bg5 n GLY 87 N 5.20 -5.11 0.35 4.51 0.00 -1.26 -4.59 105.19 104.29 3bg5 n GLY 87 Ca -0.13 1.51 -0.02 0.00 0.00 0.00 0.00 46.02 47.38 3bg5 n GLY 87 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3bg5 h SER 88 N 3.68 1.04 -0.97 1.61 0.87 -1.97 -1.41 113.55 116.39 3bg5 h SER 88 Ca -0.49 -0.02 0.20 0.00 -1.23 0.00 0.00 61.79 60.25 3bg5 h SER 88 Cb 1.10 -0.25 -0.09 0.00 -0.44 0.00 0.00 62.40 62.71 3bg5 h SER 88 CO 0.01 0.74 0.61 -0.78 -0.53 0.00 0.00 176.83 176.88 3bg5 h ASP 89 N 1.22 0.63 -4.11 6.23 1.82 -2.01 -3.44 116.42 116.76 3bg5 h ASP 89 Ca 0.35 0.07 -0.47 0.00 -0.39 0.00 0.00 57.03 56.60 3bg5 h ASP 89 Cb -0.09 -0.04 0.02 0.00 0.68 0.00 0.00 39.33 39.90 3bg5 h ASP 89 CO -0.09 0.23 0.37 -0.76 -1.61 0.00 0.00 179.24 177.38 3bg5 s LEU 90 N -9.93 3.77 0.00 2.28 1.02 -0.53 -5.08 118.68 110.21 3bg5 s LEU 90 Ca -0.10 1.79 0.00 0.00 0.02 0.00 0.00 54.13 55.85 3bg5 s LEU 90 Cb 0.24 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.91 3bg5 s LEU 90 CO 0.80 -0.72 0.00 0.61 0.02 0.00 0.00 176.35 177.06 3bg5 n GLY 91 N -0.69 1.11 0.00 -3.19 0.00 -1.26 -4.84 105.19 96.33 3bg5 n GLY 91 Ca 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3bg5 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bg5 n PRO 92 N 0.00 0.00 -1.04 1.61 -0.05 -1.26 -4.28 135.00 129.98 3bg5 n PRO 92 Ca 0.00 0.09 -0.23 0.00 -0.05 0.00 0.00 63.50 63.32 3bg5 n PRO 92 Cb 0.00 -0.54 0.10 0.00 -0.05 0.00 0.00 33.50 33.00 3bg5 n PRO 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3bg5 n ALA 93 N -2.24 5.37 0.00 0.55 0.00 -1.26 -3.84 120.51 119.09 3bg5 n ALA 93 Ca 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 53.44 50.99 3bg5 n ALA 93 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 17.97 3bg5 n ALA 93 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3bg5 n GLU 94 N -0.53 3.38 0.18 0.00 0.28 -1.26 -4.74 120.64 117.95 3bg5 n GLU 94 Ca 0.47 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.52 3bg5 n GLU 94 Cb 0.97 -0.57 0.32 0.00 1.43 0.00 0.00 31.44 33.60 3bg5 n GLU 94 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3bg5 h SER 95 N 0.00 0.00 0.33 -1.84 4.64 -1.74 -1.65 113.55 113.28 3bg5 h SER 95 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bg5 h SER 95 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bg5 h SER 95 CO 0.00 0.39 -0.14 -1.22 -0.87 0.00 0.00 176.83 174.99 3bg5 n TYR 96 N -3.54 0.00 0.50 4.77 4.02 -1.26 -3.84 117.16 117.80 3bg5 n TYR 96 Ca -0.00 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.98 3bg5 n TYR 96 Cb 0.52 -0.17 -0.13 0.00 -0.02 0.00 0.00 39.34 39.54 3bg5 n TYR 96 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3bg5 n LEU 97 N -0.87 0.50 -4.55 7.72 7.99 -0.72 -4.52 117.00 122.55 3bg5 n LEU 97 Ca 0.14 -0.28 -0.40 0.00 -0.01 0.00 0.00 56.01 55.46 3bg5 n LEU 97 Cb 0.29 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.57 3bg5 n LEU 97 CO 0.24 0.13 1.32 0.21 -1.51 0.00 0.00 177.39 177.78 3bg5 s ASN 98 N -3.41 6.02 0.10 -1.43 3.04 -0.70 -4.90 114.94 113.66 3bg5 s ASN 98 Ca 0.01 -0.56 -0.35 0.00 0.04 0.00 0.00 52.86 52.01 3bg5 s ASN 98 Cb 0.13 -2.56 -0.15 0.00 -1.54 0.00 0.00 41.25 37.14 3bg5 s ASN 98 CO 0.79 -1.91 1.57 0.40 -3.04 0.00 0.00 177.10 174.90 3bg5 h ILE 99 N 6.42 0.04 0.42 -5.21 2.04 -1.91 -1.95 117.51 117.36 3bg5 h ILE 99 Ca -0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3bg5 h ILE 99 Cb 1.06 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3bg5 h ILE 99 CO 1.30 0.00 -0.28 -0.33 0.00 0.00 0.00 178.15 178.83 3bg5 h GLU 100 N -0.86 -0.66 -0.41 2.37 3.07 -1.99 -2.01 114.58 114.09 3bg5 h GLU 100 Ca -0.03 0.05 0.11 0.00 -0.50 0.00 0.00 59.36 58.98 3bg5 h GLU 100 Cb 0.80 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.84 3bg5 h GLU 100 CO -0.17 -0.44 0.29 -0.09 -1.40 0.00 0.00 179.01 177.20 3bg5 h ARG 101 N -0.69 0.06 0.01 2.33 9.65 -1.97 0.01 114.38 123.77 3bg5 h ARG 101 Ca -0.04 -0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.66 3bg5 h ARG 101 Cb 0.58 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.16 3bg5 h ARG 101 CO 0.03 0.04 -0.67 0.82 2.80 0.00 0.00 179.97 182.98 3bg5 h ILE 102 N 0.06 1.42 -0.25 1.20 2.04 -1.19 -3.14 117.51 117.64 3bg5 h ILE 102 Ca 0.19 -2.13 -0.10 0.00 1.00 0.00 0.00 64.86 63.82 3bg5 h ILE 102 Cb 0.69 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 3bg5 h ILE 102 CO -0.01 0.62 -0.25 0.40 0.00 0.00 0.00 178.15 178.91 3bg5 h ILE 103 N -0.06 1.26 0.00 -0.67 2.04 -0.51 -1.86 117.51 117.71 3bg5 h ILE 103 Ca -0.09 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.46 3bg5 h ILE 103 Cb 1.38 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.80 3bg5 h ILE 103 CO 0.13 0.40 -0.20 0.44 0.00 0.00 0.00 178.15 178.92 3bg5 h ASP 104 N 0.43 0.00 -0.14 1.72 3.32 -1.14 -0.15 116.42 120.47 3bg5 h ASP 104 Ca 0.06 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 3bg5 h ASP 104 Cb 0.67 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.22 3bg5 h ASP 104 CO 0.05 0.20 -0.52 0.58 -1.72 0.00 0.00 179.24 177.83 3bg5 h VAL 105 N 0.00 1.34 -0.91 -1.35 2.07 -1.33 -1.96 116.25 114.11 3bg5 h VAL 105 Ca -0.00 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.76 3bg5 h VAL 105 Cb 0.45 2.06 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 3bg5 h VAL 105 CO 0.03 0.55 0.59 0.00 0.02 0.00 0.00 177.57 178.76 3bg5 h ALA 106 N 0.52 1.20 -0.34 1.67 0.00 -0.78 -2.61 119.26 118.92 3bg5 h ALA 106 Ca -0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3bg5 h ALA 106 Cb 1.15 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3bg5 h ALA 106 CO 0.11 0.47 -0.22 0.87 0.00 0.00 0.00 179.25 180.48 3bg5 h LYS 107 N 1.16 0.76 -0.00 0.00 1.57 -1.09 -1.08 116.57 117.88 3bg5 h LYS 107 Ca 0.36 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bg5 h LYS 107 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3bg5 h LYS 107 CO -0.11 0.97 0.00 0.94 -0.57 0.00 0.00 179.45 180.68 3bg5 n GLN 108 N -4.27 0.49 -0.27 3.15 -0.06 -0.74 -2.65 117.38 113.03 3bg5 n GLN 108 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.97 3bg5 n GLN 108 Cb 0.43 -1.00 0.00 0.00 -4.06 0.00 0.00 30.24 25.61 3bg5 n GLN 108 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3bg5 n ALA 109 N -0.49 1.54 -3.83 1.69 0.00 -1.18 -5.05 120.51 113.19 3bg5 n ALA 109 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.77 3bg5 n ALA 109 Cb 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 19.45 19.31 3bg5 n ALA 109 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bg5 n ASN 110 N 0.00 -1.55 -4.72 0.00 3.02 -1.08 -4.96 115.26 105.96 3bg5 n ASN 110 Ca 0.00 -0.88 -0.41 0.00 -0.03 0.00 0.00 54.58 53.26 3bg5 n ASN 110 Cb 0.56 -3.68 -0.04 0.00 -0.61 0.00 0.00 39.78 36.02 3bg5 n ASN 110 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3bg5 s VAL 111 N -3.68 4.79 -0.03 2.41 1.01 -0.42 -4.57 120.40 119.91 3bg5 s VAL 111 Ca 0.14 1.92 -0.11 0.00 0.00 0.00 0.00 61.98 63.92 3bg5 s VAL 111 Cb -0.07 -4.25 -0.32 0.00 0.00 0.00 0.00 36.38 31.74 3bg5 s VAL 111 CO 0.84 0.24 0.76 0.44 0.00 0.00 0.00 175.10 177.38 3bg5 h ASP 112 N 6.35 0.66 -4.95 3.32 5.19 -1.68 -3.46 116.42 121.85 3bg5 h ASP 112 Ca -0.42 -0.90 -0.19 0.00 -0.62 0.00 0.00 57.03 54.91 3bg5 h ASP 112 Cb 1.21 -0.21 -0.21 0.00 0.18 0.00 0.00 39.33 40.30 3bg5 h ASP 112 CO 0.74 1.75 -0.70 0.00 -3.12 0.00 0.00 179.24 177.90 3bg5 s ALA 113 N -2.59 0.23 -0.13 3.45 0.00 -1.15 -0.09 121.76 121.49 3bg5 s ALA 113 Ca -0.14 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3bg5 s ALA 113 Cb 0.05 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.32 3bg5 s ALA 113 CO 0.88 -0.15 -0.20 0.42 0.00 0.00 0.00 175.76 176.71 3bg5 s ILE 114 N -1.63 1.85 -0.35 0.00 1.01 -0.28 -1.40 121.20 120.40 3bg5 s ILE 114 Ca -0.13 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 59.52 3bg5 s ILE 114 Cb -0.09 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.72 3bg5 s ILE 114 CO -0.01 0.51 0.33 -2.28 0.00 0.00 0.00 174.94 173.49 3bg5 s HIS 115 N 0.86 3.21 -0.42 3.97 5.65 -0.16 -0.59 115.29 127.81 3bg5 s HIS 115 Ca -0.07 -0.11 0.26 0.00 0.25 0.00 0.00 55.06 55.38 3bg5 s HIS 115 Cb -0.15 -2.62 0.99 0.00 -1.18 0.00 0.00 32.58 29.62 3bg5 s HIS 115 CO -0.01 -0.43 1.77 -1.00 -0.65 0.00 0.00 174.74 174.41 3bg5 h PRO 116 N 8.49 0.00 0.00 2.88 0.13 -1.87 -2.51 132.00 139.12 3bg5 h PRO 116 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3bg5 h PRO 116 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3bg5 h PRO 116 CO 0.68 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 3bg5 n GLY 117 N 0.28 2.42 3.06 1.56 0.00 -1.26 -4.21 105.19 107.04 3bg5 n GLY 117 Ca 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 3bg5 n GLY 117 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bg5 s TYR 118 N 0.00 0.31 -0.88 1.61 -0.85 -1.26 -4.21 117.35 112.07 3bg5 s TYR 118 Ca 0.00 -0.67 -0.00 0.00 -0.52 0.00 0.00 57.07 55.87 3bg5 s TYR 118 Cb 0.00 -0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.11 3bg5 s TYR 118 CO 0.00 -0.31 0.05 0.41 -1.52 0.00 0.00 175.55 174.17 3bg5 n GLY 119 N 0.85 -0.04 0.00 5.49 0.00 -1.26 -4.86 105.19 105.37 3bg5 n GLY 119 Ca -0.19 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3bg5 n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bg5 n PHE 120 N -3.99 0.00 1.31 1.61 3.72 -1.26 -4.93 117.46 113.92 3bg5 n PHE 120 Ca -0.11 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.41 3bg5 n PHE 120 Cb 0.59 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.56 3bg5 n PHE 120 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3bg5 n LEU 121 N 0.00 1.71 -0.02 4.37 4.77 -1.26 -4.38 117.00 122.19 3bg5 n LEU 121 Ca 0.00 -0.65 0.24 0.00 -0.03 0.00 0.00 56.01 55.57 3bg5 n LEU 121 Cb 0.00 -0.06 0.70 0.00 -2.33 0.00 0.00 43.42 41.73 3bg5 n LEU 121 CO 0.00 0.32 1.21 0.77 -1.33 0.00 0.00 177.39 178.37 3bg5 h SER 122 N 2.45 0.00 -0.29 -1.43 4.64 -1.88 -0.04 113.55 117.01 3bg5 h SER 122 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bg5 h SER 122 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3bg5 h SER 122 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3bg5 n GLU 123 N -3.75 2.86 -2.95 4.77 1.02 -1.26 -4.83 120.64 116.49 3bg5 n GLU 123 Ca 0.12 -2.19 -0.43 0.00 -0.02 0.00 0.00 57.16 54.64 3bg5 n GLU 123 Cb 0.84 -1.38 -0.05 0.00 -0.02 0.00 0.00 31.44 30.83 3bg5 n GLU 123 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3bg5 s ASN 124 N -1.26 6.30 0.22 1.62 3.84 -0.03 -4.90 114.94 120.73 3bg5 s ASN 124 Ca 0.26 -0.56 -0.18 0.00 0.21 0.00 0.00 52.86 52.58 3bg5 s ASN 124 Cb 0.16 -2.38 0.22 0.00 -0.55 0.00 0.00 41.25 38.70 3bg5 s ASN 124 CO 0.12 -1.11 1.56 -0.08 -2.79 0.00 0.00 177.10 174.81 3bg5 h GLU 125 N 9.20 -0.04 -0.18 0.43 4.57 -1.88 -2.57 114.58 124.11 3bg5 h GLU 125 Ca -0.27 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.91 3bg5 h GLU 125 Cb 1.08 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3bg5 h GLU 125 CO 1.04 -0.02 0.08 1.96 -1.18 0.00 0.00 179.01 180.89 3bg5 h GLN 126 N -0.04 0.27 -0.72 1.92 1.08 -1.97 -2.99 115.11 112.66 3bg5 h GLN 126 Ca 0.32 -0.04 0.10 0.00 -1.45 0.00 0.00 58.65 57.58 3bg5 h GLN 126 Cb 0.59 -0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.90 3bg5 h GLN 126 CO -0.92 0.32 0.36 0.35 -0.95 0.00 0.00 178.83 177.99 3bg5 h PHE 127 N 0.16 0.64 0.00 2.96 3.57 -1.82 -0.76 116.94 121.69 3bg5 h PHE 127 Ca 0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3bg5 h PHE 127 Cb 0.14 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 3bg5 h PHE 127 CO -0.02 0.23 -0.20 0.00 -2.23 0.00 0.00 178.31 176.08 3bg5 h ALA 128 N 1.44 0.96 0.01 2.41 0.00 -1.50 -1.31 119.26 121.26 3bg5 h ALA 128 Ca 0.35 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bg5 h ALA 128 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3bg5 h ALA 128 CO -0.27 0.25 -0.00 -0.09 0.00 0.00 0.00 179.25 179.14 3bg5 h ARG 129 N 0.00 -0.01 -0.80 0.00 2.43 -1.04 -2.88 114.38 112.08 3bg5 h ARG 129 Ca -0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3bg5 h ARG 129 Cb 0.84 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 3bg5 h ARG 129 CO 0.03 0.65 0.52 0.00 -1.51 0.00 0.00 179.97 179.66 3bg5 h ARG 130 N -0.68 1.01 -0.40 0.20 2.47 -1.10 0.16 114.38 116.04 3bg5 h ARG 130 Ca -0.00 -0.06 0.08 0.00 -1.26 0.00 0.00 59.98 58.74 3bg5 h ARG 130 Cb 0.66 -0.23 -0.09 0.00 -1.65 0.00 0.00 29.97 28.67 3bg5 h ARG 130 CO 0.00 0.67 -0.22 0.00 0.56 0.00 0.00 179.97 180.98 3bg5 h ALA 132 N 1.08 1.16 0.00 0.00 0.00 -1.06 0.13 119.26 120.56 3bg5 h ALA 132 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3bg5 h ALA 132 Cb 0.46 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3bg5 h ALA 132 CO -0.50 0.53 -0.14 0.93 0.00 0.00 0.00 179.25 180.07 3bg5 h GLU 133 N 0.45 0.00 -0.61 0.00 5.08 -0.16 -2.69 114.58 116.64 3bg5 h GLU 133 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3bg5 h GLU 133 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3bg5 h GLU 133 CO 0.04 0.14 0.00 0.39 -1.00 0.00 0.00 179.01 178.58 3bg5 n GLU 134 N -3.54 3.17 -1.73 2.33 -0.58 -0.67 -4.95 120.64 114.66 3bg5 n GLU 134 Ca -0.01 -2.67 -0.08 0.00 -0.42 0.00 0.00 57.16 53.98 3bg5 n GLU 134 Cb 0.29 -1.66 -0.02 0.00 -0.57 0.00 0.00 31.44 29.48 3bg5 n GLU 134 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bg5 n GLY 135 N 1.15 0.46 3.49 0.62 0.00 -1.02 -5.03 105.19 104.86 3bg5 n GLY 135 Ca 0.23 -0.63 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 3bg5 n GLY 135 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 136 N -2.34 4.23 -0.39 -0.61 1.01 0.42 -4.93 121.20 118.60 3bg5 s ILE 136 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.15 3bg5 s ILE 136 Cb 0.00 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 3bg5 s ILE 136 CO 0.00 0.41 1.59 -0.75 0.00 0.00 0.00 174.94 176.19 3bg5 s LYS 137 N 1.02 3.43 -0.02 2.79 2.47 0.86 -3.36 119.74 126.93 3bg5 s LYS 137 Ca 0.03 1.11 -0.30 0.00 -1.56 0.00 0.00 55.97 55.24 3bg5 s LYS 137 Cb -0.14 -4.11 -0.05 0.00 -1.46 0.00 0.00 37.83 32.07 3bg5 s LYS 137 CO 0.02 -1.74 1.33 0.12 0.16 0.00 0.00 175.35 175.24 3bg5 s PHE 138 N 6.19 2.95 -0.94 4.03 2.19 -1.26 -1.13 117.98 130.01 3bg5 s PHE 138 Ca 0.69 0.95 -0.21 0.00 0.33 0.00 0.00 56.93 58.69 3bg5 s PHE 138 Cb -0.17 -3.58 0.10 0.00 -1.31 0.00 0.00 43.02 38.05 3bg5 s PHE 138 CO 0.32 -2.07 1.24 0.42 1.83 0.00 0.00 175.22 176.96 3bg5 s ILE 139 N 2.38 4.39 -2.52 3.12 1.01 0.24 -4.82 121.20 124.99 3bg5 s ILE 139 Ca 0.61 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 60.10 3bg5 s ILE 139 Cb -0.29 -4.88 0.00 0.00 0.01 0.00 0.00 42.46 37.30 3bg5 s ILE 139 CO 0.25 -1.67 0.00 0.61 0.00 0.00 0.00 174.94 174.13 3bg5 n GLY 140 N 5.99 -0.77 3.76 6.18 0.00 -1.26 -4.44 105.19 114.64 3bg5 n GLY 140 Ca 0.25 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 45.07 3bg5 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bg5 s PRO 141 N -1.01 1.30 0.87 1.61 0.04 -1.22 -4.67 135.00 131.92 3bg5 s PRO 141 Ca 0.00 0.51 -0.11 0.00 0.04 0.00 0.00 61.00 61.44 3bg5 s PRO 141 Cb 0.00 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.82 3bg5 s PRO 141 CO 0.00 -2.13 1.16 -1.01 0.04 0.00 0.00 177.00 175.05 3bg5 s HIS 142 N -3.13 1.75 0.34 0.56 3.76 -1.26 -4.85 115.29 112.45 3bg5 s HIS 142 Ca 0.63 1.74 0.05 0.00 -0.15 0.00 0.00 55.06 57.33 3bg5 s HIS 142 Cb -0.16 -3.36 0.69 0.00 1.11 0.00 0.00 32.58 30.87 3bg5 s HIS 142 CO 0.55 -2.73 1.91 -0.07 -0.85 0.00 0.00 174.74 173.55 3bg5 h LEU 143 N -1.53 0.75 -1.79 0.89 3.38 -1.96 -1.18 115.31 113.87 3bg5 h LEU 143 Ca -0.44 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 3bg5 h LEU 143 Cb 1.27 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3bg5 h LEU 143 CO 0.44 0.45 -0.12 1.05 0.09 0.00 0.00 178.44 180.35 3bg5 h GLU 144 N 0.83 0.00 -0.24 1.13 9.09 -1.98 -1.67 114.58 121.74 3bg5 h GLU 144 Ca 0.38 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.66 3bg5 h GLU 144 Cb 0.39 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.48 3bg5 h GLU 144 CO -0.15 0.12 -0.36 0.45 0.05 0.00 0.00 179.01 179.12 3bg5 h HIS 145 N 0.00 0.83 -0.28 2.06 3.86 -1.56 -2.10 115.15 117.97 3bg5 h HIS 145 Ca -0.00 -0.28 -0.14 0.00 -1.16 0.00 0.00 60.37 58.79 3bg5 h HIS 145 Cb 0.21 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 3bg5 h HIS 145 CO 0.00 1.04 -0.39 -0.07 0.86 0.00 0.00 177.93 179.37 3bg5 h LEU 146 N 0.39 0.68 -2.52 2.43 3.38 -1.44 -0.26 115.31 117.98 3bg5 h LEU 146 Ca 0.02 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3bg5 h LEU 146 Cb 0.95 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3bg5 h LEU 146 CO 0.08 0.99 -0.02 -0.78 0.09 0.00 0.00 178.44 178.80 3bg5 h ASP 147 N 0.53 0.00 0.00 -0.43 1.82 -1.27 -0.34 116.42 116.74 3bg5 h ASP 147 Ca 0.05 0.00 -0.43 0.00 -0.39 0.00 0.00 57.03 56.26 3bg5 h ASP 147 Cb 0.90 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.84 3bg5 h ASP 147 CO 0.08 0.02 -2.52 0.80 -1.61 0.00 0.00 179.24 176.01 3bg5 n MET 148 N -3.43 0.62 -0.02 0.28 1.56 -0.79 -4.47 117.12 110.86 3bg5 n MET 148 Ca -0.03 0.21 0.10 0.00 -0.27 0.00 0.00 57.70 57.71 3bg5 n MET 148 Cb 0.12 -1.50 0.10 0.00 2.15 0.00 0.00 33.22 34.08 3bg5 n MET 148 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 3bg5 n PHE 149 N -3.76 0.05 1.25 1.12 3.01 -0.17 -3.07 117.46 115.90 3bg5 n PHE 149 Ca -0.50 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 57.92 3bg5 n PHE 149 Cb 0.94 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.41 3bg5 n PHE 149 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 150 N 1.16 0.70 3.52 1.37 0.00 -0.14 -4.64 105.19 107.16 3bg5 n GLY 150 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 3bg5 n GLY 150 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bg5 s ASP 151 N -0.35 -0.64 0.34 1.61 -1.08 -1.26 -4.72 116.67 110.56 3bg5 s ASP 151 Ca 0.00 1.23 0.23 0.00 -0.52 0.00 0.00 52.55 53.49 3bg5 s ASP 151 Cb 0.00 1.25 0.25 0.00 -1.46 0.00 0.00 42.92 42.95 3bg5 s ASP 151 CO 0.00 -0.22 1.41 0.11 0.52 0.00 0.00 175.17 177.00 3bg5 h LYS 152 N 5.14 0.00 0.01 4.34 1.57 -1.88 -1.38 116.57 124.36 3bg5 h LYS 152 Ca -0.28 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3bg5 h LYS 152 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 3bg5 h LYS 152 CO 0.12 0.00 -0.00 0.28 -0.57 0.00 0.00 179.45 179.28 3bg5 h VAL 153 N 0.00 1.56 -0.59 0.50 2.07 -1.95 -2.69 116.25 115.15 3bg5 h VAL 153 Ca 0.00 -1.81 0.02 0.00 0.82 0.00 0.00 66.70 65.73 3bg5 h VAL 153 Cb 0.98 2.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.49 3bg5 h VAL 153 CO 0.00 0.46 0.39 0.11 0.02 0.00 0.00 177.57 178.55 3bg5 h LYS 154 N -0.80 0.72 0.16 1.57 1.57 -1.82 0.32 116.57 118.28 3bg5 h LYS 154 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3bg5 h LYS 154 Cb 0.76 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3bg5 h LYS 154 CO 0.00 0.48 -0.12 0.00 -0.57 0.00 0.00 179.45 179.23 3bg5 h ALA 155 N 1.65 -0.27 -0.62 3.86 0.00 -1.17 0.75 119.26 123.46 3bg5 h ALA 155 Ca 0.23 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3bg5 h ALA 155 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3bg5 h ALA 155 CO -0.06 -0.66 0.37 0.00 0.00 0.00 0.00 179.25 178.90 3bg5 h ARG 156 N -0.29 0.71 -0.49 0.00 3.08 -1.04 -1.05 114.38 115.30 3bg5 h ARG 156 Ca -0.00 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.06 3bg5 h ARG 156 Cb 0.26 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3bg5 h ARG 156 CO -0.01 0.47 0.19 1.15 -1.07 0.00 0.00 179.97 180.70 3bg5 h THR 157 N 0.73 0.86 -0.11 2.04 2.02 -0.03 0.12 112.91 118.54 3bg5 h THR 157 Ca 0.25 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.20 3bg5 h THR 157 Cb 0.05 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3bg5 h THR 157 CO -0.12 0.07 -0.41 0.74 0.37 0.00 0.00 175.52 176.18 3bg5 h THR 158 N 0.38 1.31 -0.17 3.16 2.02 -0.51 -1.20 112.91 117.90 3bg5 h THR 158 Ca 0.23 -1.51 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 3bg5 h THR 158 Cb 0.22 1.67 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3bg5 h THR 158 CO -0.22 0.45 -0.06 0.00 0.37 0.00 0.00 175.52 176.06 3bg5 h ALA 159 N 1.38 0.24 -0.38 6.16 0.00 -0.34 -2.25 119.26 124.06 3bg5 h ALA 159 Ca 0.02 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.71 3bg5 h ALA 159 Cb 0.81 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3bg5 h ALA 159 CO 0.06 0.02 0.16 0.82 0.00 0.00 0.00 179.25 180.32 3bg5 h ILE 160 N 0.04 0.94 -0.18 0.00 2.04 -0.63 -1.96 117.51 117.76 3bg5 h ILE 160 Ca 0.04 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.84 3bg5 h ILE 160 Cb 0.51 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3bg5 h ILE 160 CO 0.02 0.06 0.15 0.50 0.00 0.00 0.00 178.15 178.88 3bg5 h LYS 161 N 0.34 0.00 -0.17 2.37 1.63 -1.16 -1.56 116.57 118.03 3bg5 h LYS 161 Ca 0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3bg5 h LYS 161 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3bg5 h LYS 161 CO -0.14 0.00 0.00 0.00 -3.45 0.00 0.00 179.45 175.86 3bg5 n ALA 162 N -2.45 2.50 -2.84 5.00 0.00 -0.80 -4.95 120.51 116.96 3bg5 n ALA 162 Ca 0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.72 3bg5 n ALA 162 Cb 0.28 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.76 3bg5 n ALA 162 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3bg5 n ASP 163 N 0.70 -2.20 -4.52 0.00 2.03 -0.59 -4.78 116.55 107.19 3bg5 n ASP 163 Ca 0.17 -0.35 -0.33 0.00 0.52 0.00 0.00 54.79 54.80 3bg5 n ASP 163 Cb 0.43 -3.14 -0.12 0.00 -0.72 0.00 0.00 41.12 37.57 3bg5 n ASP 163 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3bg5 s LEU 164 N -4.50 2.93 0.22 -2.67 1.02 -0.82 -5.05 118.68 109.82 3bg5 s LEU 164 Ca 0.02 -0.12 -0.31 0.00 0.02 0.00 0.00 54.13 53.75 3bg5 s LEU 164 Cb -0.01 -1.62 -0.10 0.00 0.02 0.00 0.00 46.19 44.48 3bg5 s LEU 164 CO 0.42 0.35 1.53 -2.16 0.02 0.00 0.00 176.35 176.51 3bg5 s PRO 165 N -0.74 4.22 0.09 1.29 0.04 -1.26 -4.40 135.00 134.24 3bg5 s PRO 165 Ca 0.11 2.38 0.02 0.00 0.04 0.00 0.00 61.00 63.56 3bg5 s PRO 165 Cb -0.11 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 3bg5 s PRO 165 CO 0.01 -0.55 -0.08 0.08 0.04 0.00 0.00 177.00 176.50 3bg5 s VAL 166 N 0.55 0.75 0.06 -0.36 1.01 -1.26 0.54 120.40 121.69 3bg5 s VAL 166 Ca 0.65 -1.68 -0.31 0.00 0.00 0.00 0.00 61.98 60.64 3bg5 s VAL 166 Cb -0.44 -1.38 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 3bg5 s VAL 166 CO 0.38 -0.68 1.58 -0.63 0.00 0.00 0.00 175.10 175.75 3bg5 s ILE 167 N -2.82 3.16 0.00 2.22 1.09 -1.26 -4.90 121.20 118.69 3bg5 s ILE 167 Ca 0.06 0.63 0.00 0.00 -1.10 0.00 0.00 60.65 60.24 3bg5 s ILE 167 Cb -0.00 -3.41 0.00 0.00 -1.06 0.00 0.00 42.46 37.99 3bg5 s ILE 167 CO -0.02 0.00 0.11 -2.65 -0.10 0.00 0.00 174.94 172.28 3bg5 n PRO 168 N 5.35 0.00 -1.36 2.79 -0.02 -1.26 -4.86 135.00 135.63 3bg5 n PRO 168 Ca 0.15 0.11 0.19 0.00 -2.02 0.00 0.00 63.50 61.92 3bg5 n PRO 168 Cb 0.41 -0.31 -0.05 0.00 -0.02 0.00 0.00 33.50 33.53 3bg5 n PRO 168 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bg5 n GLY 169 N -0.36 -1.88 3.85 -1.23 0.00 -1.26 -4.90 105.19 99.40 3bg5 n GLY 169 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 3bg5 n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg5 s THR 170 N -2.18 4.43 -0.56 2.61 2.01 -0.25 -4.96 115.64 116.73 3bg5 s THR 170 Ca 0.00 0.83 0.24 0.00 0.31 0.00 0.00 61.69 63.07 3bg5 s THR 170 Cb 0.00 -3.68 0.25 0.00 0.01 0.00 0.00 72.50 69.08 3bg5 s THR 170 CO 0.00 -0.99 1.71 0.47 -0.69 0.00 0.00 174.62 175.13 3bg5 n ASP 171 N -2.74 0.65 -0.46 3.53 8.00 -1.26 -4.94 116.55 119.33 3bg5 n ASP 171 Ca 0.07 0.64 0.00 0.00 0.71 0.00 0.00 54.79 56.21 3bg5 n ASP 171 Cb 0.54 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3bg5 n ASP 171 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3bg5 n GLY 172 N 0.24 0.65 3.76 0.44 0.00 -1.26 -5.07 105.19 103.95 3bg5 n GLY 172 Ca 0.03 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 3bg5 n GLY 172 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bg5 s PRO 173 N -0.37 3.21 0.30 1.61 0.04 -1.26 -4.66 135.00 133.86 3bg5 s PRO 173 Ca 0.00 1.80 0.06 0.00 0.04 0.00 0.00 61.00 62.91 3bg5 s PRO 173 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3bg5 s PRO 173 CO 0.00 -1.01 0.36 0.42 0.04 0.00 0.00 177.00 176.81 3bg5 s ILE 174 N -1.60 4.31 0.05 0.56 1.01 0.13 -4.98 121.20 120.69 3bg5 s ILE 174 Ca 0.74 -1.14 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3bg5 s ILE 174 Cb -0.29 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 3bg5 s ILE 174 CO 0.33 -0.23 -0.14 -0.54 0.00 0.00 0.00 174.94 174.35 3bg5 s LYS 175 N -4.03 0.91 0.00 2.79 3.01 -1.26 -4.61 119.74 116.54 3bg5 s LYS 175 Ca 0.39 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.53 3bg5 s LYS 175 Cb -0.08 -0.93 0.00 0.00 -1.01 0.00 0.00 37.83 35.81 3bg5 s LYS 175 CO 0.29 0.22 0.00 0.43 0.51 0.00 0.00 175.35 176.80 3bg5 n SER 176 N 1.70 0.00 0.00 2.83 7.64 -1.26 -3.67 113.62 120.87 3bg5 n SER 176 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 3bg5 n SER 176 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3bg5 n SER 176 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bg5 n TYR 177 N 0.00 0.00 -0.03 1.43 9.36 -1.26 -4.89 117.16 121.77 3bg5 n TYR 177 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 3bg5 n TYR 177 Cb 0.00 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.64 3bg5 n TYR 177 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3bg5 h GLU 178 N 0.00 0.16 0.00 2.98 4.39 -2.01 0.91 114.58 121.01 3bg5 h GLU 178 Ca 0.00 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3bg5 h GLU 178 Cb 0.00 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3bg5 h GLU 178 CO 0.00 0.38 -0.33 1.25 -1.16 0.00 0.00 179.01 179.15 3bg5 h LEU 179 N -0.08 0.00 0.30 1.33 5.85 -1.94 -3.15 115.31 117.62 3bg5 h LEU 179 Ca 0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3bg5 h LEU 179 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 3bg5 h LEU 179 CO 0.00 0.33 -0.14 0.00 -0.34 0.00 0.00 178.44 178.29 3bg5 h ALA 180 N 1.67 -0.40 -1.09 1.25 0.00 -1.66 -3.29 119.26 115.74 3bg5 h ALA 180 Ca -0.00 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.01 3bg5 h ALA 180 Cb 0.62 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3bg5 h ALA 180 CO 0.04 -0.50 0.73 -0.22 0.00 0.00 0.00 179.25 179.30 3bg5 h LYS 181 N -0.84 0.24 0.31 0.00 3.64 -0.78 -1.97 116.57 117.18 3bg5 h LYS 181 Ca -0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3bg5 h LYS 181 Cb 0.52 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3bg5 h LYS 181 CO 0.07 0.16 -0.15 0.93 -2.27 0.00 0.00 179.45 178.19 3bg5 h GLU 182 N 0.25 -0.41 0.00 1.90 5.08 -1.62 -0.92 114.58 118.87 3bg5 h GLU 182 Ca 0.59 0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.92 3bg5 h GLU 182 Cb 1.78 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 3bg5 h GLU 182 CO -0.21 -0.12 -0.29 0.74 -1.00 0.00 0.00 179.01 178.13 3bg5 h PHE 183 N -0.69 0.00 0.00 4.33 -1.00 -1.64 -2.87 116.94 115.07 3bg5 h PHE 183 Ca -0.04 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.67 3bg5 h PHE 183 Cb 0.48 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3bg5 h PHE 183 CO 0.01 0.29 -0.30 0.00 -1.61 0.00 0.00 178.31 176.70 3bg5 h ALA 184 N 1.71 1.32 0.10 2.45 0.00 -1.19 -3.15 119.26 120.49 3bg5 h ALA 184 Ca -0.00 -0.27 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 3bg5 h ALA 184 Cb 0.77 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.53 3bg5 h ALA 184 CO 0.04 0.38 -1.18 0.93 0.00 0.00 0.00 179.25 179.41 3bg5 h GLU 185 N 0.00 0.50 -0.65 0.00 4.39 -0.94 -3.38 114.58 114.51 3bg5 h GLU 185 Ca -0.00 -0.67 -0.35 0.00 0.34 0.00 0.00 59.36 58.67 3bg5 h GLU 185 Cb 0.60 0.22 -0.21 0.00 -0.10 0.00 0.00 28.75 29.26 3bg5 h GLU 185 CO 0.04 1.28 0.22 0.39 -1.16 0.00 0.00 179.01 179.79 3bg5 n GLU 186 N -3.73 2.10 -2.48 2.33 1.02 -1.20 -4.51 120.64 114.17 3bg5 n GLU 186 Ca -0.11 -3.17 -0.01 0.00 -0.02 0.00 0.00 57.16 53.85 3bg5 n GLU 186 Cb 0.96 -2.00 0.07 0.00 -0.02 0.00 0.00 31.44 30.45 3bg5 n GLU 186 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3bg5 n ALA 187 N -1.11 2.80 -0.35 0.62 0.00 -1.20 -5.05 120.51 116.22 3bg5 n ALA 187 Ca 0.46 -1.82 0.00 0.00 0.00 0.00 0.00 53.44 52.08 3bg5 n ALA 187 Cb 1.25 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3bg5 n ALA 187 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 188 N -0.84 -0.84 1.01 0.00 0.00 -1.26 -4.89 105.19 98.37 3bg5 n GLY 188 Ca -0.06 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3bg5 n GLY 188 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bg5 n PHE 189 N -0.13 0.00 -1.54 1.61 7.35 -1.26 -4.72 117.46 118.77 3bg5 n PHE 189 Ca 0.00 0.00 -0.31 0.00 -0.76 0.00 0.00 57.45 56.38 3bg5 n PHE 189 Cb 0.00 0.10 -0.07 0.00 0.35 0.00 0.00 39.48 39.86 3bg5 n PHE 189 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3bg5 n PRO 190 N -2.74 0.68 -4.50 -7.13 -0.02 -1.26 -4.67 135.00 115.36 3bg5 n PRO 190 Ca 0.00 -0.19 -0.23 0.00 -2.02 0.00 0.00 63.50 61.06 3bg5 n PRO 190 Cb 0.37 -2.99 -0.14 0.00 -0.02 0.00 0.00 33.50 30.72 3bg5 n PRO 190 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3bg5 s LEU 191 N 11.42 2.17 -0.30 2.45 1.43 -0.64 -1.13 118.68 134.08 3bg5 s LEU 191 Ca 1.06 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 53.63 3bg5 s LEU 191 Cb -0.40 -0.81 0.04 0.00 0.03 0.00 0.00 46.19 45.05 3bg5 s LEU 191 CO 0.28 0.10 0.02 -0.32 0.23 0.00 0.00 176.35 176.67 3bg5 s MET 192 N -1.17 2.67 -0.19 1.70 -2.45 0.67 -0.37 119.30 120.15 3bg5 s MET 192 Ca 0.05 -1.12 -0.20 0.00 -1.25 0.00 0.00 55.69 53.17 3bg5 s MET 192 Cb -0.08 -3.24 -0.03 0.00 1.25 0.00 0.00 34.83 32.73 3bg5 s MET 192 CO 0.02 -0.56 0.59 -1.50 1.05 0.00 0.00 175.02 174.62 3bg5 s ILE 193 N 1.34 5.06 0.02 10.11 -1.16 -0.98 -1.58 121.20 134.01 3bg5 s ILE 193 Ca -0.02 1.10 -0.02 0.00 -0.51 0.00 0.00 60.65 61.20 3bg5 s ILE 193 Cb -0.19 -3.90 -0.02 0.00 0.61 0.00 0.00 42.46 38.96 3bg5 s ILE 193 CO -0.00 0.14 0.01 -1.59 -2.81 0.00 0.00 174.94 170.68 3bg5 s LYS 194 N 1.77 0.37 0.71 3.50 -2.85 -0.34 -2.26 119.74 120.63 3bg5 s LYS 194 Ca 0.27 -0.61 -0.11 0.00 -1.00 0.00 0.00 55.97 54.52 3bg5 s LYS 194 Cb -0.16 0.14 0.01 0.00 -2.06 0.00 0.00 37.83 35.76 3bg5 s LYS 194 CO 0.10 -0.07 1.07 0.00 0.10 0.00 0.00 175.35 176.55 3bg5 s ALA 195 N -1.60 2.68 0.14 0.59 0.00 -1.14 -0.73 121.76 121.70 3bg5 s ALA 195 Ca -0.14 -0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.52 3bg5 s ALA 195 Cb -0.08 -3.13 -0.07 0.00 0.00 0.00 0.00 23.12 19.83 3bg5 s ALA 195 CO -0.01 -1.23 0.75 0.99 0.00 0.00 0.00 175.76 176.26 3bg5 s THR 196 N -3.12 4.46 -0.66 0.00 2.01 -0.06 -4.35 115.64 113.91 3bg5 s THR 196 Ca 0.58 1.63 -0.16 0.00 0.31 0.00 0.00 61.69 64.05 3bg5 s THR 196 Cb -0.13 -4.11 0.02 0.00 0.01 0.00 0.00 72.50 68.30 3bg5 s THR 196 CO 0.54 0.51 0.63 -1.54 -0.69 0.00 0.00 174.62 174.07 3bg5 n SER 197 N 1.76 -5.26 -1.40 3.53 3.41 -1.26 -4.84 113.62 109.55 3bg5 n SER 197 Ca -0.06 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 3bg5 n SER 197 Cb 0.49 -1.85 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 3bg5 n SER 197 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bg5 n GLY 198 N -1.03 0.93 0.00 5.00 0.00 -1.26 -5.00 105.19 103.82 3bg5 n GLY 198 Ca -0.21 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3bg5 n GLY 198 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 199 N 5.00 1.74 3.51 -0.02 0.00 -1.26 -5.09 105.19 109.07 3bg5 n GLY 199 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3bg5 n GLY 199 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bg5 s GLY 200 N 0.00 1.93 0.00 -0.02 0.00 -1.26 -4.93 107.32 103.04 3bg5 s GLY 200 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.30 3bg5 s GLY 200 CO 0.00 0.99 0.08 0.61 0.00 0.00 0.00 173.10 174.78 3bg5 n GLY 201 N 5.06 0.00 0.10 0.20 0.00 -1.26 -0.96 105.19 108.34 3bg5 n GLY 201 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3bg5 n GLY 201 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bg5 h LYS 202 N 0.00 0.00 -0.99 1.61 1.57 -1.94 -3.29 116.57 113.53 3bg5 h LYS 202 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 3bg5 h LYS 202 Cb 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.01 3bg5 h LYS 202 CO 0.00 0.00 0.79 0.41 -0.57 0.00 0.00 179.45 180.08 3bg5 n GLY 203 N 1.29 5.89 3.11 3.86 0.00 -0.13 -4.72 105.19 114.49 3bg5 n GLY 203 Ca 0.04 -2.31 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 3bg5 n GLY 203 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bg5 s MET 204 N -3.81 0.59 -0.19 1.61 -1.94 -1.24 -2.86 119.30 111.45 3bg5 s MET 204 Ca 0.64 -0.79 -0.25 0.00 -1.71 0.00 0.00 55.69 53.58 3bg5 s MET 204 Cb 0.50 0.23 0.06 0.00 2.01 0.00 0.00 34.83 37.64 3bg5 s MET 204 CO -0.01 -0.14 0.66 0.50 -0.01 0.00 0.00 175.02 176.02 3bg5 s ARG 205 N -2.72 0.84 -0.06 2.03 3.52 -0.96 -4.94 118.95 116.66 3bg5 s ARG 205 Ca -0.04 0.72 -0.09 0.00 -0.13 0.00 0.00 55.73 56.19 3bg5 s ARG 205 Cb -0.00 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.74 3bg5 s ARG 205 CO -0.05 -0.15 0.25 0.96 -0.81 0.00 0.00 175.30 175.50 3bg5 s ILE 206 N -0.08 5.31 -0.18 4.11 -4.36 -1.26 -2.31 121.20 122.43 3bg5 s ILE 206 Ca -0.03 0.41 -0.01 0.00 -0.26 0.00 0.00 60.65 60.76 3bg5 s ILE 206 Cb -0.04 -3.53 -0.00 0.00 1.25 0.00 0.00 42.46 40.14 3bg5 s ILE 206 CO 0.03 0.56 -0.11 -0.69 0.24 0.00 0.00 174.94 174.97 3bg5 s VAL 207 N -1.10 2.94 -0.06 8.37 1.01 0.50 -5.00 120.40 127.06 3bg5 s VAL 207 Ca 0.20 -0.66 -0.00 0.00 0.00 0.00 0.00 61.98 61.52 3bg5 s VAL 207 Cb -0.14 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3bg5 s VAL 207 CO 0.09 0.49 -0.06 0.54 0.00 0.00 0.00 175.10 176.16 3bg5 n ARG 208 N 4.31 0.16 -4.31 2.72 1.74 -1.26 -1.63 116.66 118.39 3bg5 n ARG 208 Ca -0.19 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.77 3bg5 n ARG 208 Cb 0.51 -1.08 -0.10 0.00 -1.02 0.00 0.00 32.46 30.77 3bg5 n ARG 208 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3bg5 s GLU 209 N -2.13 1.32 0.59 5.56 2.12 -1.26 -4.60 118.70 120.31 3bg5 s GLU 209 Ca -0.09 -1.68 -0.19 0.00 0.36 0.00 0.00 54.97 53.37 3bg5 s GLU 209 Cb 0.02 -0.43 -0.04 0.00 0.26 0.00 0.00 34.13 33.95 3bg5 s GLU 209 CO 0.14 -0.17 1.21 -2.00 -0.54 0.00 0.00 175.26 173.90 3bg5 s GLU 210 N -3.93 2.96 0.00 4.30 2.12 -1.26 -2.78 118.70 120.11 3bg5 s GLU 210 Ca 0.31 1.83 0.00 0.00 0.36 0.00 0.00 54.97 57.47 3bg5 s GLU 210 Cb 0.07 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.53 3bg5 s GLU 210 CO 0.09 -1.21 0.00 -1.13 -0.54 0.00 0.00 175.26 172.47 3bg5 n SER 211 N -1.60 0.00 0.09 -1.70 3.41 -1.26 -4.64 113.62 107.92 3bg5 n SER 211 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 3bg5 n SER 211 Cb 0.50 -0.72 0.45 0.00 -0.26 0.00 0.00 64.21 64.18 3bg5 n SER 211 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bg5 n GLU 212 N -1.64 0.15 0.16 4.33 1.02 -1.12 -3.00 120.64 120.55 3bg5 n GLU 212 Ca 0.00 0.33 0.01 0.00 -0.02 0.00 0.00 57.16 57.48 3bg5 n GLU 212 Cb 0.00 -1.76 0.25 0.00 -0.02 0.00 0.00 31.44 29.91 3bg5 n GLU 212 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3bg5 h LEU 213 N 0.00 0.00 0.31 -4.62 5.85 -1.83 -3.24 115.31 111.78 3bg5 h LEU 213 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3bg5 h LEU 213 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3bg5 h LEU 213 CO 0.00 0.51 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.04 3bg5 h GLU 214 N 0.00 -0.51 -0.37 1.25 5.08 -1.92 -3.04 114.58 115.07 3bg5 h GLU 214 Ca -0.01 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3bg5 h GLU 214 Cb 0.98 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 3bg5 h GLU 214 CO 0.07 -0.34 0.19 -0.44 -1.00 0.00 0.00 179.01 177.48 3bg5 h ASP 215 N -0.53 0.47 -0.90 1.42 3.32 -1.79 -3.30 116.42 115.11 3bg5 h ASP 215 Ca -0.04 -0.11 0.15 0.00 0.02 0.00 0.00 57.03 57.06 3bg5 h ASP 215 Cb 0.45 -0.12 -0.15 0.00 0.22 0.00 0.00 39.33 39.72 3bg5 h ASP 215 CO 0.01 0.44 -0.30 0.00 -1.72 0.00 0.00 179.24 177.67 3bg5 n ALA 216 N -2.25 0.02 -0.05 3.45 0.00 -1.18 -0.13 120.51 120.36 3bg5 n ALA 216 Ca -0.01 0.93 -0.11 0.00 0.00 0.00 0.00 53.44 54.25 3bg5 n ALA 216 Cb 0.09 -0.48 -0.05 0.00 0.00 0.00 0.00 19.45 19.01 3bg5 n ALA 216 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3bg5 h PHE 217 N 0.00 0.31 0.05 0.00 3.57 -1.60 -2.67 116.94 116.60 3bg5 h PHE 217 Ca 0.36 -0.04 -0.28 0.00 3.53 0.00 0.00 57.97 61.54 3bg5 h PHE 217 Cb 0.58 -0.09 0.02 0.00 2.79 0.00 0.00 35.95 39.26 3bg5 h PHE 217 CO -0.75 0.43 -1.13 0.45 -2.23 0.00 0.00 178.31 175.08 3bg5 h HIS 218 N 0.10 1.03 -0.72 0.41 3.86 -1.36 -2.34 115.15 116.13 3bg5 h HIS 218 Ca 0.06 -0.60 0.04 0.00 -1.16 0.00 0.00 60.37 58.71 3bg5 h HIS 218 Cb 0.28 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.60 3bg5 h HIS 218 CO 0.01 1.44 0.44 0.00 0.86 0.00 0.00 177.93 180.68 3bg5 h ARG 219 N 0.35 0.81 0.00 2.45 2.47 -0.60 -2.60 114.38 117.25 3bg5 h ARG 219 Ca -0.15 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.44 3bg5 h ARG 219 Cb 1.79 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.92 3bg5 h ARG 219 CO 0.22 0.53 -0.40 0.00 0.56 0.00 0.00 179.97 180.88 3bg5 h ALA 220 N 1.33 0.75 -0.05 0.04 0.00 -1.53 -2.98 119.26 116.82 3bg5 h ALA 220 Ca 0.30 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3bg5 h ALA 220 Cb 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3bg5 h ALA 220 CO -0.14 0.48 -0.45 -0.22 0.00 0.00 0.00 179.25 178.93 3bg5 h LYS 221 N 0.00 0.40 0.00 0.00 3.64 -1.13 -2.05 116.57 117.43 3bg5 h LYS 221 Ca -0.01 -0.36 -0.11 0.00 -1.27 0.00 0.00 60.65 58.91 3bg5 h LYS 221 Cb 1.30 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 3bg5 h LYS 221 CO 0.05 1.01 -0.53 0.66 -2.27 0.00 0.00 179.45 178.37 3bg5 h SER 222 N -0.09 0.00 1.63 4.20 4.64 -1.60 -1.73 113.55 120.60 3bg5 h SER 222 Ca -0.04 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3bg5 h SER 222 Cb 1.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3bg5 h SER 222 CO 0.09 0.53 -0.11 -0.08 -0.87 0.00 0.00 176.83 176.39 3bg5 h GLU 223 N 0.00 0.00 0.09 4.77 4.81 -1.57 -1.60 114.58 121.09 3bg5 h GLU 223 Ca -0.01 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 3bg5 h GLU 223 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 3bg5 h GLU 223 CO 0.07 0.11 -1.25 0.00 -0.73 0.00 0.00 179.01 177.20 3bg5 h ALA 224 N 1.89 0.20 -0.77 2.92 0.00 -1.21 -2.74 119.26 119.56 3bg5 h ALA 224 Ca -0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 54.91 53.92 3bg5 h ALA 224 Cb 0.95 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3bg5 h ALA 224 CO 0.01 1.08 0.33 1.49 0.00 0.00 0.00 179.25 182.17 3bg5 h GLU 225 N 0.05 1.14 0.02 0.00 4.57 -1.10 -0.87 114.58 118.40 3bg5 h GLU 225 Ca -0.13 -0.20 -0.21 0.00 -1.18 0.00 0.00 59.36 57.64 3bg5 h GLU 225 Cb 1.94 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.32 3bg5 h GLU 225 CO 0.18 0.91 -0.96 0.87 -1.18 0.00 0.00 179.01 178.83 3bg5 h LYS 226 N 1.11 0.19 0.25 1.92 1.57 -1.38 -3.36 116.57 116.87 3bg5 h LYS 226 Ca 0.26 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3bg5 h LYS 226 Cb 0.18 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3bg5 h LYS 226 CO -0.02 1.01 -0.12 0.77 -0.57 0.00 0.00 179.45 180.51 3bg5 h SER 227 N 0.09 -0.29 -3.48 0.86 0.02 -1.45 -3.48 113.55 105.83 3bg5 h SER 227 Ca -0.06 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3bg5 h SER 227 Cb 1.62 0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.23 3bg5 h SER 227 CO 0.15 0.05 0.00 0.49 -1.14 0.00 0.00 176.83 176.38 3bg5 n PHE 228 N -4.34 -2.56 0.00 3.45 3.01 -0.34 -5.09 117.46 111.59 3bg5 n PHE 228 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3bg5 n PHE 228 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 3bg5 n PHE 228 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 229 N 5.00 -0.92 1.31 1.37 0.00 -1.26 -4.60 105.19 106.08 3bg5 n GLY 229 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3bg5 n GLY 229 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3bg5 n ASN 230 N -0.16 -0.69 -1.14 1.61 6.94 -1.26 -4.61 115.26 115.95 3bg5 n ASN 230 Ca 0.00 -0.95 0.05 0.00 -0.02 0.00 0.00 54.58 53.66 3bg5 n ASN 230 Cb 0.00 -0.36 0.08 0.00 -2.36 0.00 0.00 39.78 37.14 3bg5 n ASN 230 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3bg5 n SER 231 N -3.49 1.19 -4.63 0.53 3.41 -1.26 -3.62 113.62 105.76 3bg5 n SER 231 Ca 0.06 -2.60 -0.43 0.00 -0.26 0.00 0.00 58.87 55.64 3bg5 n SER 231 Cb 0.21 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 3bg5 n SER 231 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3bg5 s GLU 232 N -1.04 3.63 0.13 4.33 0.41 -1.26 -4.91 118.70 119.99 3bg5 s GLU 232 Ca 0.33 2.24 0.09 0.00 -0.41 0.00 0.00 54.97 57.23 3bg5 s GLU 232 Cb 0.36 -4.25 -0.04 0.00 -1.78 0.00 0.00 34.13 28.42 3bg5 s GLU 232 CO -0.13 -1.53 -0.21 0.14 -0.49 0.00 0.00 175.26 173.04 3bg5 s VAL 233 N 6.34 1.89 0.33 2.63 -7.23 -1.26 -0.89 120.40 122.21 3bg5 s VAL 233 Ca 0.92 -1.73 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 3bg5 s VAL 233 Cb -0.36 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.80 3bg5 s VAL 233 CO 0.37 -0.12 0.13 0.00 -0.31 0.00 0.00 175.10 175.17 3bg5 n TYR 234 N 0.75 0.07 -4.31 2.82 0.18 0.09 -0.69 117.16 116.07 3bg5 n TYR 234 Ca -0.17 -2.16 -0.18 0.00 1.88 0.00 0.00 57.90 57.27 3bg5 n TYR 234 Cb 0.55 0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.38 3bg5 n TYR 234 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 3bg5 s ILE 235 N -2.83 0.73 0.19 -3.48 2.07 -1.26 -1.20 121.20 115.42 3bg5 s ILE 235 Ca 0.18 -0.55 -0.03 0.00 -1.41 0.00 0.00 60.65 58.85 3bg5 s ILE 235 Cb 0.01 -0.64 -0.03 0.00 0.13 0.00 0.00 42.46 41.92 3bg5 s ILE 235 CO 0.13 0.10 0.16 -1.83 -1.91 0.00 0.00 174.94 171.58 3bg5 s GLU 236 N -0.51 1.17 0.19 3.50 -1.05 -0.62 -1.09 118.70 120.30 3bg5 s GLU 236 Ca 0.02 -1.52 -0.31 0.00 -0.15 0.00 0.00 54.97 53.00 3bg5 s GLU 236 Cb -0.05 0.29 -0.10 0.00 -0.44 0.00 0.00 34.13 33.83 3bg5 s GLU 236 CO 0.00 -0.39 1.55 0.50 0.95 0.00 0.00 175.26 177.87 3bg5 s ARG 237 N -4.11 4.22 0.12 -4.83 3.52 -1.26 -0.24 118.95 116.36 3bg5 s ARG 237 Ca 0.33 2.38 -0.30 0.00 -0.13 0.00 0.00 55.73 58.00 3bg5 s ARG 237 Cb 0.06 -3.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.25 3bg5 s ARG 237 CO 0.09 -0.58 1.21 -0.47 -0.81 0.00 0.00 175.30 174.75 3bg5 s TYR 238 N 0.81 3.42 -0.27 5.12 5.04 -0.28 -4.59 117.35 126.61 3bg5 s TYR 238 Ca 0.67 1.33 -0.08 0.00 -2.44 0.00 0.00 57.07 56.56 3bg5 s TYR 238 Cb -0.44 -3.44 -0.02 0.00 0.35 0.00 0.00 41.96 38.41 3bg5 s TYR 238 CO 0.35 -1.33 0.09 0.42 -1.34 0.00 0.00 175.55 173.73 3bg5 s ILE 239 N 0.56 4.30 0.42 3.14 1.01 -1.26 -4.81 121.20 124.56 3bg5 s ILE 239 Ca 0.57 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.67 3bg5 s ILE 239 Cb -0.31 -3.08 -0.08 0.00 0.01 0.00 0.00 42.46 38.99 3bg5 s ILE 239 CO 0.32 0.25 1.09 -0.62 0.00 0.00 0.00 174.94 175.99 3bg5 s ASP 240 N 1.60 6.55 -1.37 3.58 2.15 -1.26 -4.20 116.67 123.72 3bg5 s ASP 240 Ca 0.05 2.14 -0.17 0.00 0.43 0.00 0.00 52.55 55.01 3bg5 s ASP 240 Cb -0.16 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 39.89 3bg5 s ASP 240 CO 0.04 -0.64 0.38 0.59 -0.17 0.00 0.00 175.17 175.36 3bg5 n ASN 241 N -0.20 -1.73 -4.92 -0.34 3.02 -1.26 -4.96 115.26 104.87 3bg5 n ASN 241 Ca 0.06 -1.26 -0.26 0.00 -0.03 0.00 0.00 54.58 53.09 3bg5 n ASN 241 Cb 0.49 -1.80 0.01 0.00 -0.61 0.00 0.00 39.78 37.87 3bg5 n ASN 241 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3bg5 s PRO 242 N -7.31 3.28 -0.05 3.52 0.04 -1.26 -4.85 135.00 128.37 3bg5 s PRO 242 Ca 0.25 -0.09 -0.04 0.00 0.04 0.00 0.00 61.00 61.16 3bg5 s PRO 242 Cb -0.13 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.93 3bg5 s PRO 242 CO 0.97 -0.28 0.16 0.15 0.04 0.00 0.00 177.00 178.05 3bg5 s LYS 243 N -4.69 3.43 -0.41 4.56 1.02 -0.24 -1.53 119.74 121.88 3bg5 s LYS 243 Ca 0.48 -0.25 -0.15 0.00 0.02 0.00 0.00 55.97 56.07 3bg5 s LYS 243 Cb -0.10 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 3bg5 s LYS 243 CO 0.42 0.71 0.31 -1.58 -0.92 0.00 0.00 175.35 174.29 3bg5 s HIS 244 N -1.21 3.23 -0.17 3.18 5.65 -1.26 0.13 115.29 124.84 3bg5 s HIS 244 Ca 0.23 -0.55 -0.01 0.00 0.25 0.00 0.00 55.06 54.98 3bg5 s HIS 244 Cb -0.12 -2.61 -0.00 0.00 -1.18 0.00 0.00 32.58 28.66 3bg5 s HIS 244 CO 0.13 -0.59 -0.13 0.42 -0.65 0.00 0.00 174.74 173.92 3bg5 s ILE 245 N 1.73 2.78 0.06 0.89 -1.09 -0.63 -0.95 121.20 123.98 3bg5 s ILE 245 Ca 0.06 -0.72 0.09 0.00 -2.23 0.00 0.00 60.65 57.85 3bg5 s ILE 245 Cb -0.19 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 3bg5 s ILE 245 CO 0.10 0.50 -0.23 -1.83 -1.23 0.00 0.00 174.94 172.25 3bg5 s GLU 246 N 1.02 1.85 -0.15 2.79 -1.05 -0.72 -0.33 118.70 122.12 3bg5 s GLU 246 Ca -0.01 -1.09 -0.01 0.00 -0.15 0.00 0.00 54.97 53.70 3bg5 s GLU 246 Cb -0.15 -2.05 -0.02 0.00 -0.44 0.00 0.00 34.13 31.48 3bg5 s GLU 246 CO -0.03 0.51 -0.10 0.08 0.95 0.00 0.00 175.26 176.68 3bg5 s VAL 247 N -0.89 3.25 0.18 1.83 1.01 0.83 -0.29 120.40 126.32 3bg5 s VAL 247 Ca 0.13 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3bg5 s VAL 247 Cb -0.10 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.80 3bg5 s VAL 247 CO 0.04 0.50 1.06 -1.58 0.00 0.00 0.00 175.10 175.12 3bg5 s GLN 248 N 0.53 4.65 -0.03 2.72 2.00 -0.77 -1.46 119.66 127.29 3bg5 s GLN 248 Ca -0.07 1.65 0.03 0.00 -2.00 0.00 0.00 55.36 54.97 3bg5 s GLN 248 Cb -0.15 -3.29 0.00 0.00 0.80 0.00 0.00 33.01 30.37 3bg5 s GLN 248 CO 0.04 0.16 -0.10 0.08 -0.50 0.00 0.00 175.29 174.97 3bg5 s VAL 249 N -0.39 0.90 -0.06 1.34 1.01 -0.18 -1.19 120.40 121.83 3bg5 s VAL 249 Ca 0.47 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3bg5 s VAL 249 Cb -0.28 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.30 3bg5 s VAL 249 CO 0.34 0.28 -0.15 -0.63 0.00 0.00 0.00 175.10 174.94 3bg5 s ILE 250 N 0.25 1.31 0.15 2.22 1.09 -0.12 -1.13 121.20 124.97 3bg5 s ILE 250 Ca -0.05 -0.61 0.07 0.00 -1.10 0.00 0.00 60.65 58.96 3bg5 s ILE 250 Cb -0.10 -1.15 -0.04 0.00 -1.06 0.00 0.00 42.46 40.11 3bg5 s ILE 250 CO 0.01 0.39 -0.15 -0.83 -0.10 0.00 0.00 174.94 174.26 3bg5 s GLY 251 N 0.34 1.24 0.31 6.18 0.00 -0.66 -0.60 107.32 114.13 3bg5 s GLY 251 Ca -0.10 -1.43 0.05 0.00 0.00 0.00 0.00 44.72 43.24 3bg5 s GLY 251 CO 0.03 -1.50 0.43 2.09 0.00 0.00 0.00 173.10 174.15 3bg5 n ASP 252 N 0.25 1.16 -0.08 1.64 3.85 -0.65 -0.28 116.55 122.45 3bg5 n ASP 252 Ca -0.13 -1.83 0.15 0.00 -0.71 0.00 0.00 54.79 52.27 3bg5 n ASP 252 Cb 0.58 -0.22 0.85 0.00 -1.35 0.00 0.00 41.12 40.98 3bg5 n ASP 252 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3bg5 n GLU 253 N -1.67 1.11 -0.29 0.11 -0.58 -1.26 -4.06 120.64 114.00 3bg5 n GLU 253 Ca 0.09 -0.16 0.09 0.00 -0.42 0.00 0.00 57.16 56.75 3bg5 n GLU 253 Cb 0.32 -1.48 0.20 0.00 -0.57 0.00 0.00 31.44 29.91 3bg5 n GLU 253 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3bg5 n HIS 254 N -0.79 0.49 -0.20 -0.32 8.25 -1.26 -4.98 115.22 116.42 3bg5 n HIS 254 Ca 0.22 -0.98 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 3bg5 n HIS 254 Cb 0.15 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3bg5 n HIS 254 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bg5 n GLY 255 N -0.98 1.17 3.80 -1.41 0.00 -1.26 -5.05 105.19 101.47 3bg5 n GLY 255 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3bg5 n GLY 255 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg5 s ASN 256 N -2.99 7.18 -0.02 1.61 -0.87 -1.26 -4.98 114.94 113.61 3bg5 s ASN 256 Ca 0.00 1.40 -0.01 0.00 -1.57 0.00 0.00 52.86 52.68 3bg5 s ASN 256 Cb 0.00 -2.41 0.02 0.00 -0.02 0.00 0.00 41.25 38.83 3bg5 s ASN 256 CO 0.00 0.24 0.06 -0.63 -2.57 0.00 0.00 177.10 174.20 3bg5 s ILE 257 N -1.14 -0.02 0.12 0.60 1.01 -1.26 -1.63 121.20 118.87 3bg5 s ILE 257 Ca 0.32 0.08 0.07 0.00 0.00 0.00 0.00 60.65 61.12 3bg5 s ILE 257 Cb -0.21 -0.10 -0.04 0.00 0.01 0.00 0.00 42.46 42.13 3bg5 s ILE 257 CO 0.22 0.03 -0.18 0.68 0.00 0.00 0.00 174.94 175.69 3bg5 s VAL 258 N 0.44 1.58 0.13 2.92 -7.23 0.23 -4.99 120.40 113.50 3bg5 s VAL 258 Ca -0.03 -1.66 -0.01 0.00 -1.81 0.00 0.00 61.98 58.47 3bg5 s VAL 258 Cb -0.05 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3bg5 s VAL 258 CO -0.02 -0.24 0.31 -1.38 -0.31 0.00 0.00 175.10 173.47 3bg5 s HIS 259 N -1.66 3.49 -0.39 2.82 -3.43 -1.26 -0.94 115.29 113.93 3bg5 s HIS 259 Ca 0.09 0.31 0.05 0.00 -0.80 0.00 0.00 55.06 54.71 3bg5 s HIS 259 Cb -0.08 -1.82 0.44 0.00 -1.43 0.00 0.00 32.58 29.70 3bg5 s HIS 259 CO 0.04 0.48 1.26 1.28 -2.00 0.00 0.00 174.74 175.81 3bg5 n LEU 260 N -0.18 5.18 0.00 5.38 4.77 -0.33 -4.95 117.00 126.87 3bg5 n LEU 260 Ca -0.05 -4.87 0.00 0.00 -0.03 0.00 0.00 56.01 51.06 3bg5 n LEU 260 Cb 0.52 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3bg5 n LEU 260 CO 0.50 2.09 0.00 0.49 -1.33 0.00 0.00 177.39 179.14 3bg5 n PHE 261 N -0.64 -1.52 -4.10 -1.77 3.01 -1.26 -4.66 117.46 106.52 3bg5 n PHE 261 Ca 0.44 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.68 3bg5 n PHE 261 Cb 0.82 0.22 -0.05 0.00 -0.01 0.00 0.00 39.48 40.45 3bg5 n PHE 261 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 3bg5 s GLU 262 N 0.00 2.68 -0.04 -1.08 4.04 -1.26 -1.85 118.70 121.19 3bg5 s GLU 262 Ca 0.00 -1.24 0.05 0.00 0.04 0.00 0.00 54.97 53.82 3bg5 s GLU 262 Cb 0.00 -2.41 -0.01 0.00 0.02 0.00 0.00 34.13 31.73 3bg5 s GLU 262 CO 0.00 0.30 -0.20 1.03 -1.84 0.00 0.00 175.26 174.55 3bg5 s ARG 263 N -3.83 1.92 -0.25 -4.83 0.52 0.60 -4.25 118.95 108.82 3bg5 s ARG 263 Ca 0.35 -0.71 -0.18 0.00 -0.52 0.00 0.00 55.73 54.66 3bg5 s ARG 263 Cb -0.07 -1.71 -0.03 0.00 0.52 0.00 0.00 34.95 33.67 3bg5 s ARG 263 CO 0.24 0.33 0.53 0.34 0.02 0.00 0.00 175.30 176.76 3bg5 s ASP 264 N -0.16 6.47 -0.22 0.23 3.68 0.39 -1.76 116.67 125.30 3bg5 s ASP 264 Ca -0.00 0.57 0.11 0.00 2.13 0.00 0.00 52.55 55.35 3bg5 s ASP 264 Cb -0.11 -2.29 0.43 0.00 -1.45 0.00 0.00 42.92 39.50 3bg5 s ASP 264 CO 0.02 -0.29 1.21 0.00 0.13 0.00 0.00 175.17 176.24 3bg5 h SER 266 N 1.36 0.00 -1.00 0.00 0.02 -1.79 -3.41 113.55 108.73 3bg5 h SER 266 Ca 0.09 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.51 3bg5 h SER 266 Cb 1.20 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.65 3bg5 h SER 266 CO 0.22 0.25 1.34 -0.69 -1.14 0.00 0.00 176.83 176.81 3bg5 s VAL 267 N -3.50 3.81 0.03 2.27 1.01 -1.25 -3.34 120.40 119.43 3bg5 s VAL 267 Ca 0.02 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.34 3bg5 s VAL 267 Cb 0.09 -4.81 -0.02 0.00 0.00 0.00 0.00 36.38 31.64 3bg5 s VAL 267 CO 0.65 -1.70 -0.16 0.00 0.00 0.00 0.00 175.10 173.89 3bg5 s GLN 268 N 5.44 1.09 0.00 2.72 -2.07 -1.26 -1.33 119.66 124.25 3bg5 s GLN 268 Ca 0.52 -0.78 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 3bg5 s GLN 268 Cb -0.01 -1.13 0.00 0.00 -1.09 0.00 0.00 33.01 30.78 3bg5 s GLN 268 CO -0.07 0.29 0.08 2.89 -1.32 0.00 0.00 175.29 177.15 3bg5 n ARG 269 N 1.98 0.00 0.00 9.60 1.85 -1.01 -4.48 116.66 124.61 3bg5 n ARG 269 Ca -0.17 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.78 3bg5 n ARG 269 Cb 0.54 -0.67 0.00 0.00 -1.05 0.00 0.00 32.46 31.29 3bg5 n ARG 269 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3bg5 n ARG 270 N -0.81 0.00 -0.92 2.89 1.74 -1.26 -4.80 116.66 113.50 3bg5 n ARG 270 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3bg5 n ARG 270 Cb 0.00 -0.12 0.05 0.00 -1.02 0.00 0.00 32.46 31.36 3bg5 n ARG 270 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3bg5 n HIS 271 N -0.09 0.00 -3.23 -1.55 8.25 -1.26 -5.06 115.22 112.27 3bg5 n HIS 271 Ca 0.00 -0.48 -0.40 0.00 -0.26 0.00 0.00 57.72 56.58 3bg5 n HIS 271 Cb 0.00 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 30.91 3bg5 n HIS 271 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3bg5 s GLN 272 N -0.63 4.15 0.19 -0.41 2.00 -1.26 -4.43 119.66 119.26 3bg5 s GLN 272 Ca 0.22 0.40 -0.33 0.00 -2.00 0.00 0.00 55.36 53.65 3bg5 s GLN 272 Cb 0.24 -3.60 -0.14 0.00 0.80 0.00 0.00 33.01 30.32 3bg5 s GLN 272 CO -0.08 -0.23 1.52 1.63 -0.50 0.00 0.00 175.29 177.63 3bg5 n LYS 273 N 5.09 2.11 0.02 1.67 5.02 -1.26 -2.39 118.16 128.42 3bg5 n LYS 273 Ca -0.04 0.76 -0.00 0.00 -2.02 0.00 0.00 58.31 57.00 3bg5 n LYS 273 Cb 0.50 -2.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.02 3bg5 n LYS 273 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3bg5 n VAL 274 N 2.91 0.59 -4.71 -0.18 0.31 -0.44 -4.91 118.33 111.91 3bg5 n VAL 274 Ca 0.15 0.19 -0.26 0.00 -0.01 0.00 0.00 64.34 64.41 3bg5 n VAL 274 Cb 0.30 -1.55 -0.17 0.00 -0.91 0.00 0.00 33.84 31.51 3bg5 n VAL 274 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3bg5 s VAL 275 N -2.01 1.32 0.12 2.52 1.01 -1.04 -4.24 120.40 118.09 3bg5 s VAL 275 Ca -0.00 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3bg5 s VAL 275 Cb 0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3bg5 s VAL 275 CO 0.00 0.40 -0.08 -1.61 0.00 0.00 0.00 175.10 173.81 3bg5 s GLU 276 N 0.61 2.17 -0.00 2.72 8.01 -0.80 -3.96 118.70 127.44 3bg5 s GLU 276 Ca -0.15 -1.06 0.01 0.00 0.01 0.00 0.00 54.97 53.78 3bg5 s GLU 276 Cb -0.16 -2.30 -0.00 0.00 -4.31 0.00 0.00 34.13 27.35 3bg5 s GLU 276 CO 0.05 0.49 -0.04 0.08 0.01 0.00 0.00 175.26 175.85 3bg5 s VAL 277 N -1.35 0.34 -0.01 2.63 1.01 -0.21 -1.58 120.40 121.22 3bg5 s VAL 277 Ca 0.23 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3bg5 s VAL 277 Cb -0.11 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.99 3bg5 s VAL 277 CO 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 175.10 175.33 3bg5 s ALA 278 N -0.08 0.20 1.01 5.51 0.00 -0.34 0.15 121.76 128.21 3bg5 s ALA 278 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 3bg5 s ALA 278 Cb -0.02 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.99 3bg5 s ALA 278 CO -0.00 -0.00 0.11 -0.35 0.00 0.00 0.00 175.76 175.51 3bg5 n PRO 279 N 3.45 -0.72 -2.60 0.00 -0.04 -1.26 -0.53 135.00 133.30 3bg5 n PRO 279 Ca -0.18 -0.17 -0.38 0.00 -0.04 0.00 0.00 63.50 62.73 3bg5 n PRO 279 Cb 0.56 -0.13 -0.05 0.00 -0.04 0.00 0.00 33.50 33.84 3bg5 n PRO 279 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3bg5 s SER 280 N -1.62 7.11 -0.08 3.54 0.15 -1.26 -4.73 113.70 116.81 3bg5 s SER 280 Ca 0.06 2.05 -0.12 0.00 0.70 0.00 0.00 55.95 58.65 3bg5 s SER 280 Cb -0.00 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 3bg5 s SER 280 CO 0.05 -0.24 0.29 -0.69 1.20 0.00 0.00 173.24 173.85 3bg5 s VAL 281 N -1.47 5.26 0.00 4.45 1.01 -1.26 -4.57 120.40 123.82 3bg5 s VAL 281 Ca 0.51 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.04 3bg5 s VAL 281 Cb -0.24 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3bg5 s VAL 281 CO 0.31 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.57 3bg5 n GLY 282 N 2.19 3.08 3.63 4.51 0.00 -1.26 -4.56 105.19 112.79 3bg5 n GLY 282 Ca -0.16 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 3bg5 n GLY 282 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg5 n LEU 283 N 0.00 3.18 -4.82 0.99 4.77 -1.26 -5.00 117.00 114.86 3bg5 n LEU 283 Ca 0.00 0.99 -0.32 0.00 -0.03 0.00 0.00 56.01 56.65 3bg5 n LEU 283 Cb 0.00 -1.39 0.02 0.00 -2.33 0.00 0.00 43.42 39.72 3bg5 n LEU 283 CO 0.00 -1.41 0.71 -0.94 -1.33 0.00 0.00 177.39 174.42 3bg5 s SER 284 N -0.83 5.71 0.28 -1.43 1.04 -1.26 -4.91 113.70 112.30 3bg5 s SER 284 Ca 0.66 1.68 -0.00 0.00 0.48 0.00 0.00 55.95 58.77 3bg5 s SER 284 Cb -0.51 -2.51 0.40 0.00 0.10 0.00 0.00 66.02 63.50 3bg5 s SER 284 CO 0.55 -1.21 1.79 -0.65 0.98 0.00 0.00 173.24 174.69 3bg5 h PRO 285 N -0.07 0.71 -0.33 4.02 0.11 -1.99 -1.52 132.00 132.94 3bg5 h PRO 285 Ca -0.45 -0.18 -0.13 0.00 0.11 0.00 0.00 66.00 65.34 3bg5 h PRO 285 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3bg5 h PRO 285 CO 0.58 0.73 -0.32 1.79 -0.21 0.00 0.00 178.00 180.57 3bg5 h THR 286 N 0.67 1.28 -0.59 -1.15 1.35 -1.99 -0.39 112.91 112.08 3bg5 h THR 286 Ca 0.13 -1.47 -0.08 0.00 -0.55 0.00 0.00 66.41 64.45 3bg5 h THR 286 Cb 0.43 1.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 3bg5 h THR 286 CO 0.02 0.48 0.07 0.25 -0.25 0.00 0.00 175.52 176.09 3bg5 h LEU 287 N 0.61 0.94 -0.45 3.87 6.46 -1.90 -1.31 115.31 123.52 3bg5 h LEU 287 Ca 0.07 -0.22 -0.05 0.00 -0.12 0.00 0.00 57.88 57.56 3bg5 h LEU 287 Cb 0.85 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 3bg5 h LEU 287 CO 0.07 0.95 0.10 -0.09 -0.62 0.00 0.00 178.44 178.85 3bg5 h ARG 288 N 0.91 0.73 -0.02 1.25 2.43 -1.03 -2.04 114.38 116.61 3bg5 h ARG 288 Ca 0.18 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3bg5 h ARG 288 Cb 0.44 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3bg5 h ARG 288 CO 0.01 0.73 0.01 1.96 -1.51 0.00 0.00 179.97 181.18 3bg5 h GLN 289 N 0.60 0.03 -0.27 0.20 1.08 -0.83 -2.15 115.11 113.78 3bg5 h GLN 289 Ca 0.14 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.28 3bg5 h GLN 289 Cb 0.34 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 3bg5 h GLN 289 CO 0.00 0.04 -0.10 0.00 -0.95 0.00 0.00 178.83 177.82 3bg5 h ARG 290 N 0.01 0.45 -0.23 1.46 3.08 -1.16 0.38 114.38 118.36 3bg5 h ARG 290 Ca 0.01 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 3bg5 h ARG 290 Cb 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 3bg5 h ARG 290 CO -0.00 0.55 -0.16 0.82 -1.07 0.00 0.00 179.97 180.11 3bg5 h ILE 291 N 0.42 1.31 -0.42 2.04 2.04 -1.31 -1.34 117.51 120.25 3bg5 h ILE 291 Ca 0.08 -1.28 -0.12 0.00 1.00 0.00 0.00 64.86 64.55 3bg5 h ILE 291 Cb 0.43 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3bg5 h ILE 291 CO 0.02 0.39 -0.21 0.00 0.00 0.00 0.00 178.15 178.35 3bg5 h ASP 293 N 0.72 0.86 -0.05 0.00 3.32 -0.25 -2.25 116.42 118.78 3bg5 h ASP 293 Ca 0.10 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3bg5 h ASP 293 Cb 0.74 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 3bg5 h ASP 293 CO 0.06 0.76 0.01 0.00 -1.72 0.00 0.00 179.24 178.34 3bg5 h ALA 294 N 1.37 0.06 -0.82 3.45 0.00 -0.95 -1.28 119.26 121.09 3bg5 h ALA 294 Ca 0.22 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3bg5 h ALA 294 Cb 0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3bg5 h ALA 294 CO -0.02 -0.31 0.54 0.00 0.00 0.00 0.00 179.25 179.46 3bg5 h ALA 295 N 0.77 1.64 -0.04 0.00 0.00 -1.30 -2.05 119.26 118.28 3bg5 h ALA 295 Ca 0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3bg5 h ALA 295 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3bg5 h ALA 295 CO 0.00 0.23 -0.77 0.82 0.00 0.00 0.00 179.25 179.52 3bg5 h ILE 296 N 0.87 1.43 0.00 0.00 1.08 -1.17 -2.16 117.51 117.55 3bg5 h ILE 296 Ca 0.36 -2.32 -0.09 0.00 -0.39 0.00 0.00 64.86 62.42 3bg5 h ILE 296 Cb 0.29 2.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 3bg5 h ILE 296 CO -0.13 0.68 -0.44 0.06 -0.69 0.00 0.00 178.15 177.63 3bg5 h GLN 297 N 0.18 0.00 -0.03 2.37 3.07 -0.69 0.41 115.11 120.42 3bg5 h GLN 297 Ca -0.03 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.59 3bg5 h GLN 297 Cb 1.36 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.92 3bg5 h GLN 297 CO 0.12 0.44 -0.43 1.25 0.09 0.00 0.00 178.83 180.31 3bg5 h LEU 298 N 0.00 0.43 -0.33 0.06 5.85 -1.37 -2.69 115.31 117.27 3bg5 h LEU 298 Ca -0.00 -0.71 -0.19 0.00 0.84 0.00 0.00 57.88 57.81 3bg5 h LEU 298 Cb 1.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3bg5 h LEU 298 CO 0.06 1.09 -0.83 0.24 -0.34 0.00 0.00 178.44 178.66 3bg5 h MET 299 N -0.18 0.28 -0.14 1.25 2.86 -1.33 -2.92 114.93 114.75 3bg5 h MET 299 Ca -0.04 -0.28 -0.17 0.00 -2.06 0.00 0.00 59.70 57.14 3bg5 h MET 299 Cb 1.12 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 3bg5 h MET 299 CO 0.09 0.96 -0.63 1.49 1.06 0.00 0.00 176.91 179.87 3bg5 h GLU 300 N 0.17 0.52 0.09 1.72 4.81 -1.05 0.00 114.58 120.85 3bg5 h GLU 300 Ca -0.04 -0.37 0.02 0.00 -0.13 0.00 0.00 59.36 58.83 3bg5 h GLU 300 Cb 1.43 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.84 3bg5 h GLU 300 CO 0.13 0.99 -0.23 -0.97 -0.73 0.00 0.00 179.01 178.20 3bg5 h ASN 301 N 0.38 -0.65 -0.44 1.04 -1.24 -1.36 -2.82 115.58 110.50 3bg5 h ASN 301 Ca -0.01 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.08 3bg5 h ASN 301 Cb 1.20 0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.50 3bg5 h ASN 301 CO 0.12 -0.31 0.00 2.30 -1.29 0.00 0.00 177.43 178.24 3bg5 n ILE 302 N -5.35 2.08 -3.70 2.57 -6.64 -1.11 -4.95 119.36 102.26 3bg5 n ILE 302 Ca -0.06 -1.06 -0.29 0.00 -1.77 0.00 0.00 62.75 59.57 3bg5 n ILE 302 Cb 0.26 -0.33 0.03 0.00 -1.44 0.00 0.00 39.64 38.16 3bg5 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 3bg5 n LYS 303 N 0.48 -1.12 -2.25 6.28 5.02 -1.01 -4.89 118.16 120.67 3bg5 n LYS 303 Ca 0.21 0.57 -0.39 0.00 -2.02 0.00 0.00 58.31 56.69 3bg5 n LYS 303 Cb 0.97 -3.66 -0.02 0.00 -0.02 0.00 0.00 35.03 32.30 3bg5 n LYS 303 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3bg5 s TYR 304 N -3.32 3.05 -0.05 2.13 6.14 -0.04 -4.98 117.35 120.27 3bg5 s TYR 304 Ca 0.33 1.53 0.06 0.00 0.64 0.00 0.00 57.07 59.63 3bg5 s TYR 304 Cb -0.13 -3.46 -0.01 0.00 0.42 0.00 0.00 41.96 38.78 3bg5 s TYR 304 CO 0.87 -1.46 -0.25 0.08 0.64 0.00 0.00 175.55 175.44 3bg5 s VAL 305 N -1.35 2.04 0.00 3.14 1.01 -1.26 -4.55 120.40 119.42 3bg5 s VAL 305 Ca 0.56 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3bg5 s VAL 305 Cb -0.33 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.33 3bg5 s VAL 305 CO 0.42 0.57 0.00 -3.20 0.00 0.00 0.00 175.10 172.88 3bg5 n ASN 306 N 2.89 -0.72 -4.74 3.32 2.85 0.62 -3.41 115.26 116.08 3bg5 n ASN 306 Ca -0.17 0.00 -0.40 0.00 -0.11 0.00 0.00 54.58 53.90 3bg5 n ASN 306 Cb 0.52 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.49 3bg5 n ASN 306 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3bg5 s ALA 307 N -1.21 3.33 -0.03 5.20 0.00 -1.26 -1.65 121.76 126.14 3bg5 s ALA 307 Ca 0.00 0.32 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 3bg5 s ALA 307 Cb 0.00 -3.05 0.05 0.00 0.00 0.00 0.00 23.12 20.11 3bg5 s ALA 307 CO 0.00 0.01 0.48 0.20 0.00 0.00 0.00 175.76 176.45 3bg5 s GLY 308 N 0.16 -0.35 -0.08 0.00 0.00 -0.29 -2.41 107.32 104.35 3bg5 s GLY 308 Ca 0.41 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.92 3bg5 s GLY 308 CO 0.24 0.52 -0.05 -1.59 0.00 0.00 0.00 173.10 172.21 3bg5 s THR 309 N -1.25 3.83 -0.17 0.90 2.01 0.07 -1.02 115.64 120.02 3bg5 s THR 309 Ca -0.12 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.42 3bg5 s THR 309 Cb -0.03 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.88 3bg5 s THR 309 CO 0.07 0.59 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.85 3bg5 s VAL 310 N -0.76 3.57 -0.10 3.82 1.01 -0.54 -1.70 120.40 125.71 3bg5 s VAL 310 Ca 0.12 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 3bg5 s VAL 310 Cb -0.11 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3bg5 s VAL 310 CO 0.02 0.47 -0.07 -1.61 0.00 0.00 0.00 175.10 173.91 3bg5 s GLU 311 N 0.74 3.05 0.13 2.72 2.02 -0.53 -0.12 118.70 126.70 3bg5 s GLU 311 Ca -0.02 -0.57 0.07 0.00 0.02 0.00 0.00 54.97 54.47 3bg5 s GLU 311 Cb -0.15 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.38 3bg5 s GLU 311 CO 0.02 0.50 -0.16 -0.06 0.02 0.00 0.00 175.26 175.58 3bg5 s PHE 312 N -0.37 1.54 -0.15 1.61 0.40 0.55 -0.90 117.98 120.66 3bg5 s PHE 312 Ca 0.05 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.84 3bg5 s PHE 312 Cb -0.12 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 3bg5 s PHE 312 CO 0.02 0.20 -0.05 -1.17 0.70 0.00 0.00 175.22 174.92 3bg5 s LEU 313 N -2.43 3.14 -0.17 -0.37 2.96 -0.42 -1.61 118.68 119.78 3bg5 s LEU 313 Ca 0.10 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3bg5 s LEU 313 Cb -0.06 -1.75 0.01 0.00 0.50 0.00 0.00 46.19 44.89 3bg5 s LEU 313 CO 0.04 0.16 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.36 3bg5 s VAL 314 N 0.40 2.31 -0.22 1.68 1.01 0.12 -1.17 120.40 124.53 3bg5 s VAL 314 Ca -0.05 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3bg5 s VAL 314 Cb -0.15 -1.97 0.06 0.00 0.00 0.00 0.00 36.38 34.32 3bg5 s VAL 314 CO 0.03 0.52 -0.05 -0.55 0.00 0.00 0.00 175.10 175.05 3bg5 s SER 315 N 1.12 3.60 1.59 3.32 0.15 -0.36 -1.08 113.70 122.04 3bg5 s SER 315 Ca 0.01 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.61 3bg5 s SER 315 Cb -0.14 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 3bg5 s SER 315 CO -0.07 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3bg5 n GLY 317 N 4.73 1.30 0.34 9.45 0.00 -1.26 -1.61 105.19 118.14 3bg5 n GLY 317 Ca -0.12 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.20 3bg5 n GLY 317 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bg5 n ASP 318 N 10.92 2.07 -4.67 1.61 4.64 -1.26 -5.00 116.55 124.87 3bg5 n ASP 318 Ca 0.00 -1.64 -0.33 0.00 -1.38 0.00 0.00 54.79 51.44 3bg5 n ASP 318 Cb 0.00 -0.07 -0.09 0.00 -1.04 0.00 0.00 41.12 39.92 3bg5 n ASP 318 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3bg5 s GLU 319 N -0.79 2.79 0.11 -0.67 2.02 -0.63 -5.05 118.70 116.49 3bg5 s GLU 319 Ca 0.11 -0.59 0.06 0.00 0.02 0.00 0.00 54.97 54.58 3bg5 s GLU 319 Cb 0.07 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 3bg5 s GLU 319 CO 0.09 0.63 -0.15 -0.59 0.02 0.00 0.00 175.26 175.27 3bg5 s PHE 320 N -1.04 1.45 -0.04 1.61 -0.71 -1.26 -1.22 117.98 116.76 3bg5 s PHE 320 Ca 0.18 -0.51 0.02 0.00 -1.04 0.00 0.00 56.93 55.59 3bg5 s PHE 320 Cb -0.11 -0.77 0.01 0.00 -1.21 0.00 0.00 43.02 40.93 3bg5 s PHE 320 CO 0.09 0.15 -0.10 -0.06 -1.34 0.00 0.00 175.22 173.95 3bg5 s PHE 321 N -1.82 1.14 0.50 3.49 0.40 -0.32 -4.74 117.98 116.63 3bg5 s PHE 321 Ca 0.07 -0.33 -0.23 0.00 -0.60 0.00 0.00 56.93 55.83 3bg5 s PHE 321 Cb -0.07 -0.83 -0.06 0.00 0.51 0.00 0.00 43.02 42.57 3bg5 s PHE 321 CO 0.03 -0.16 1.38 0.12 0.70 0.00 0.00 175.22 177.30 3bg5 s PHE 322 N 0.38 2.38 0.00 0.36 2.19 0.19 -1.30 117.98 122.18 3bg5 s PHE 322 Ca -0.07 1.33 0.00 0.00 0.33 0.00 0.00 56.93 58.52 3bg5 s PHE 322 Cb -0.11 -3.84 0.00 0.00 -1.31 0.00 0.00 43.02 37.75 3bg5 s PHE 322 CO 0.01 -2.87 0.00 -0.89 1.83 0.00 0.00 175.22 173.30 3bg5 n ILE 323 N -0.63 0.00 -3.52 3.12 2.08 -0.08 -4.25 119.36 116.08 3bg5 n ILE 323 Ca 0.08 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.31 3bg5 n ILE 323 Cb 0.44 -0.53 -0.02 0.00 -0.75 0.00 0.00 39.64 38.78 3bg5 n ILE 323 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3bg5 s GLU 324 N -1.68 0.74 -0.10 0.38 2.12 -1.17 -4.92 118.70 114.08 3bg5 s GLU 324 Ca 0.00 -0.28 0.01 0.00 0.36 0.00 0.00 54.97 55.06 3bg5 s GLU 324 Cb 0.00 0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.75 3bg5 s GLU 324 CO 0.00 -0.33 -0.09 0.08 -0.54 0.00 0.00 175.26 174.38 3bg5 s VAL 325 N -3.01 1.07 -0.54 3.70 1.01 -1.26 -1.46 120.40 119.91 3bg5 s VAL 325 Ca 0.06 -0.36 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 3bg5 s VAL 325 Cb -0.01 -1.05 0.09 0.00 0.00 0.00 0.00 36.38 35.42 3bg5 s VAL 325 CO -0.08 0.36 0.58 0.20 0.00 0.00 0.00 175.10 176.17 3bg5 s ASN 326 N 1.31 6.19 -1.38 3.32 0.01 -0.69 -4.90 114.94 118.80 3bg5 s ASN 326 Ca -0.02 -1.38 -0.09 0.00 -0.71 0.00 0.00 52.86 50.66 3bg5 s ASN 326 Cb -0.14 -2.26 0.09 0.00 0.41 0.00 0.00 41.25 39.35 3bg5 s ASN 326 CO -0.04 -0.92 2.30 -0.81 -1.51 0.00 0.00 177.10 176.11 3bg5 n PRO 327 N 5.85 3.85 -4.00 -0.60 -0.04 -1.26 -0.75 135.00 138.04 3bg5 n PRO 327 Ca -0.10 -3.13 0.04 0.00 -0.04 0.00 0.00 63.50 60.27 3bg5 n PRO 327 Cb 0.43 -2.86 0.01 0.00 -0.04 0.00 0.00 33.50 31.04 3bg5 n PRO 327 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3bg5 s ARG 328 N 0.61 0.19 0.64 0.54 1.70 -1.01 -4.62 118.95 116.99 3bg5 s ARG 328 Ca 0.51 -0.12 -0.15 0.00 -0.47 0.00 0.00 55.73 55.50 3bg5 s ARG 328 Cb 0.15 0.05 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 3bg5 s ARG 328 CO -0.05 -0.09 1.08 0.14 -1.08 0.00 0.00 175.30 175.30 3bg5 s VAL 329 N -2.02 3.53 0.28 4.99 -7.23 -1.26 -4.14 120.40 114.56 3bg5 s VAL 329 Ca 0.31 0.69 0.08 0.00 -1.81 0.00 0.00 61.98 61.25 3bg5 s VAL 329 Cb -0.00 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.67 3bg5 s VAL 329 CO -0.02 -0.46 0.15 -1.10 -0.31 0.00 0.00 175.10 173.36 3bg5 s GLN 330 N -4.18 2.64 0.26 4.82 -0.21 -1.26 -4.66 119.66 117.06 3bg5 s GLN 330 Ca 0.65 -1.27 -0.02 0.00 0.02 0.00 0.00 55.36 54.73 3bg5 s GLN 330 Cb -0.18 -2.38 0.46 0.00 1.00 0.00 0.00 33.01 31.91 3bg5 s GLN 330 CO 0.41 0.29 1.80 0.28 -2.12 0.00 0.00 175.29 175.95 3bg5 h VAL 331 N 1.56 0.86 -0.26 1.09 2.07 -1.99 -2.93 116.25 116.64 3bg5 h VAL 331 Ca -0.46 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3bg5 h VAL 331 Cb 1.25 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3bg5 h VAL 331 CO 0.61 0.14 0.00 -1.84 0.02 0.00 0.00 177.57 176.50 3bg5 n GLU 332 N -4.76 2.44 -0.36 1.57 0.00 -1.26 -4.33 120.64 113.94 3bg5 n GLU 332 Ca 0.15 -1.30 0.05 0.00 0.00 0.00 0.00 57.16 56.07 3bg5 n GLU 332 Cb 0.34 -1.69 0.20 0.00 0.00 0.00 0.00 31.44 30.30 3bg5 n GLU 332 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.13 178.25 3bg5 h HIS 333 N 1.74 1.16 -0.65 -1.84 2.07 -1.93 -3.10 115.15 112.60 3bg5 h HIS 333 Ca 0.00 0.03 0.10 0.00 -2.85 0.00 0.00 60.37 57.65 3bg5 h HIS 333 Cb 0.96 -0.37 -0.08 0.00 2.57 0.00 0.00 27.41 30.49 3bg5 h HIS 333 CO 0.41 0.53 0.25 1.79 -3.07 0.00 0.00 177.93 177.83 3bg5 h THR 334 N 1.07 0.75 -0.91 6.12 1.35 -1.87 0.24 112.91 119.66 3bg5 h THR 334 Ca 0.46 -0.15 0.19 0.00 -0.55 0.00 0.00 66.41 66.36 3bg5 h THR 334 Cb 0.33 0.29 -0.17 0.00 -1.73 0.00 0.00 68.15 66.86 3bg5 h THR 334 CO -0.22 0.08 -0.21 -0.38 -0.25 0.00 0.00 175.52 174.54 3bg5 n ILE 335 N -4.99 -0.38 -0.07 6.82 5.41 -1.17 -0.22 119.36 124.75 3bg5 n ILE 335 Ca 0.10 2.08 -0.14 0.00 1.00 0.00 0.00 62.75 65.79 3bg5 n ILE 335 Cb 0.30 -2.89 -0.02 0.00 -0.71 0.00 0.00 39.64 36.31 3bg5 n ILE 335 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3bg5 h THR 336 N 0.00 1.28 -0.89 1.39 2.02 -0.70 -2.98 112.91 113.04 3bg5 h THR 336 Ca 0.45 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.91 3bg5 h THR 336 Cb 0.70 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 3bg5 h THR 336 CO -0.93 0.56 0.57 -0.33 0.37 0.00 0.00 175.52 175.76 3bg5 h GLU 337 N 0.65 1.18 -0.80 6.66 5.08 -0.37 0.34 114.58 127.33 3bg5 h GLU 337 Ca 0.02 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3bg5 h GLU 337 Cb 1.13 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 3bg5 h GLU 337 CO 0.12 0.80 0.36 0.52 -1.00 0.00 0.00 179.01 179.81 3bg5 h MET 338 N 1.21 1.16 0.00 2.33 2.86 -0.49 0.37 114.93 122.37 3bg5 h MET 338 Ca 0.32 -0.18 -0.26 0.00 -2.06 0.00 0.00 59.70 57.52 3bg5 h MET 338 Cb -0.11 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.30 3bg5 h MET 338 CO -0.07 0.91 -1.59 -0.39 1.06 0.00 0.00 176.91 176.83 3bg5 h VAL 339 N 1.14 0.82 0.00 -2.22 -1.51 -1.37 -3.37 116.25 109.75 3bg5 h VAL 339 Ca 0.27 -2.59 -0.19 0.00 -1.23 0.00 0.00 66.70 62.96 3bg5 h VAL 339 Cb 0.15 2.36 -0.03 0.00 -2.13 0.00 0.00 31.29 31.64 3bg5 h VAL 339 CO -0.03 0.47 -1.48 0.35 -1.23 0.00 0.00 177.57 175.64 3bg5 n THR 340 N -3.03 1.23 -0.79 7.19 -2.24 0.09 -0.31 114.28 116.42 3bg5 n THR 340 Ca -0.14 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3bg5 n THR 340 Cb 1.00 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3bg5 n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bg5 n GLY 341 N 1.42 0.73 3.72 3.38 0.00 0.13 -4.81 105.19 109.76 3bg5 n GLY 341 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3bg5 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 342 N -2.69 5.00 -0.92 -0.61 1.09 -1.23 -5.02 121.20 116.82 3bg5 s ILE 342 Ca 0.00 0.03 -0.20 0.00 -1.10 0.00 0.00 60.65 59.38 3bg5 s ILE 342 Cb 0.00 -3.21 0.10 0.00 -1.06 0.00 0.00 42.46 38.29 3bg5 s ILE 342 CO 0.00 0.52 1.18 -0.62 -0.10 0.00 0.00 174.94 175.93 3bg5 s ASP 343 N -0.21 6.54 0.20 3.58 3.68 -1.26 -4.31 116.67 124.89 3bg5 s ASP 343 Ca 0.09 -1.77 -0.11 0.00 2.13 0.00 0.00 52.55 52.88 3bg5 s ASP 343 Cb -0.12 -2.44 0.22 0.00 -1.45 0.00 0.00 42.92 39.13 3bg5 s ASP 343 CO 0.01 -1.22 1.74 0.40 0.13 0.00 0.00 175.17 176.23 3bg5 h ILE 344 N 6.07 0.78 -0.32 4.11 2.04 -1.96 -0.36 117.51 127.87 3bg5 h ILE 344 Ca 0.11 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 3bg5 h ILE 344 Cb 1.03 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3bg5 h ILE 344 CO 1.19 0.06 -0.06 0.58 0.00 0.00 0.00 178.15 179.93 3bg5 h VAL 345 N 0.36 1.28 -0.39 1.67 2.07 -1.99 -0.04 116.25 119.20 3bg5 h VAL 345 Ca 0.27 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3bg5 h VAL 345 Cb 0.33 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3bg5 h VAL 345 CO -0.29 0.35 0.18 0.50 0.02 0.00 0.00 177.57 178.33 3bg5 h LYS 346 N 0.38 0.55 -0.29 1.57 3.64 -1.84 -2.64 116.57 117.93 3bg5 h LYS 346 Ca 0.08 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3bg5 h LYS 346 Cb 0.54 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3bg5 h LYS 346 CO 0.03 0.43 -0.05 1.15 -2.27 0.00 0.00 179.45 178.74 3bg5 h THR 347 N 0.55 1.28 -0.35 1.00 2.02 -0.45 -1.62 112.91 115.34 3bg5 h THR 347 Ca 0.14 -1.07 0.07 0.00 0.77 0.00 0.00 66.41 66.33 3bg5 h THR 347 Cb 0.07 1.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.78 3bg5 h THR 347 CO -0.02 0.34 -0.32 1.56 0.37 0.00 0.00 175.52 177.45 3bg5 h GLN 348 N 0.31 -0.26 0.12 6.66 4.20 -0.68 0.30 115.11 125.76 3bg5 h GLN 348 Ca 0.08 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.81 3bg5 h GLN 348 Cb 0.53 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3bg5 h GLN 348 CO 0.03 -0.18 -0.16 0.82 -0.67 0.00 0.00 178.83 178.67 3bg5 h ILE 349 N -0.27 0.63 -0.95 2.54 2.04 -1.42 -1.15 117.51 118.92 3bg5 h ILE 349 Ca 0.16 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.05 3bg5 h ILE 349 Cb 0.53 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3bg5 h ILE 349 CO -0.50 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.21 3bg5 h LEU 350 N -0.34 1.05 -0.79 1.44 3.38 -0.80 -0.89 115.31 118.37 3bg5 h LEU 350 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bg5 h LEU 350 Cb 0.34 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3bg5 h LEU 350 CO -0.07 0.73 0.48 0.58 0.09 0.00 0.00 178.44 180.25 3bg5 h VAL 351 N 1.23 1.22 0.00 1.22 2.07 -0.14 -2.03 116.25 119.81 3bg5 h VAL 351 Ca 0.37 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3bg5 h VAL 351 Cb -0.04 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 3bg5 h VAL 351 CO -0.10 0.22 -0.13 0.00 0.02 0.00 0.00 177.57 177.58 3bg5 h ALA 352 N 1.26 1.75 0.00 1.67 0.00 0.09 -1.71 119.26 122.32 3bg5 h ALA 352 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3bg5 h ALA 352 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3bg5 h ALA 352 CO -0.05 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3bg5 h ALA 353 N 1.87 1.00 0.00 0.00 0.00 -0.65 -3.47 119.26 118.01 3bg5 h ALA 353 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bg5 h ALA 353 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3bg5 h ALA 353 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 3bg5 n GLY 354 N 1.18 0.75 3.57 0.00 0.00 -0.64 -4.70 105.19 105.35 3bg5 n GLY 354 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3bg5 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 n ALA 355 N -1.00 -0.23 -1.77 4.61 0.00 -1.00 -4.80 120.51 116.32 3bg5 n ALA 355 Ca 0.00 0.21 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 3bg5 n ALA 355 Cb 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 19.45 17.40 3bg5 n ALA 355 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bg5 s ASP 356 N -0.80 7.14 0.14 0.00 3.68 -1.26 -4.62 116.67 120.93 3bg5 s ASP 356 Ca 0.64 2.14 -0.19 0.00 2.13 0.00 0.00 52.55 57.26 3bg5 s ASP 356 Cb -0.57 -2.61 0.00 0.00 -1.45 0.00 0.00 42.92 38.29 3bg5 s ASP 356 CO 0.57 -0.23 1.70 0.25 0.13 0.00 0.00 175.17 177.59 3bg5 h LEU 357 N 3.37 -0.19 -1.33 -1.34 5.85 -1.95 -2.41 115.31 117.32 3bg5 h LEU 357 Ca -0.47 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3bg5 h LEU 357 Cb 1.21 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.38 3bg5 h LEU 357 CO 0.65 -0.06 0.00 0.49 -0.34 0.00 0.00 178.44 179.18 3bg5 n PHE 357 N -5.20 0.36 -0.29 1.25 0.99 -1.26 -2.12 117.46 111.19 3bg5 n PHE 357 Ca -0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 57.45 57.26 3bg5 n PHE 357 Cb 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.62 3bg5 n PHE 357 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3bg5 n GLY 357 N 1.15 -0.95 0.17 1.37 0.00 -0.91 -4.70 105.19 101.33 3bg5 n GLY 357 Ca 0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 3bg5 n GLY 357 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bg5 h GLU 358 N 0.00 0.21 0.17 1.61 4.39 -1.91 -2.75 114.58 116.31 3bg5 h GLU 358 Ca 0.00 -0.13 -0.35 0.00 0.34 0.00 0.00 59.36 59.22 3bg5 h GLU 358 Cb 0.00 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3bg5 h GLU 358 CO 0.00 0.71 -1.75 0.93 -1.16 0.00 0.00 179.01 177.74 3bg5 h GLU 359 N 0.16 0.37 0.15 2.33 3.07 -1.93 -3.39 114.58 115.33 3bg5 h GLU 359 Ca -0.00 -0.63 -0.34 0.00 -0.50 0.00 0.00 59.36 57.89 3bg5 h GLU 359 Cb 1.03 0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3bg5 h GLU 359 CO 0.08 1.28 -1.77 0.82 -1.40 0.00 0.00 179.01 178.03 3bg5 h ILE 360 N 0.10 0.84 -6.09 3.13 2.04 -1.78 -3.49 117.51 112.26 3bg5 h ILE 360 Ca -0.34 -2.42 -0.43 0.00 1.00 0.00 0.00 64.86 62.66 3bg5 h ILE 360 Cb 2.09 2.65 0.04 0.00 -0.74 0.00 0.00 36.82 40.86 3bg5 h ILE 360 CO 0.17 0.83 -0.75 0.59 0.00 0.00 0.00 178.15 178.99 3bg5 n ASN 361 N -3.64 -4.45 -4.68 1.72 4.13 -1.03 -4.94 115.26 102.37 3bg5 n ASN 361 Ca -0.28 -0.71 -0.42 0.00 1.68 0.00 0.00 54.58 54.85 3bg5 n ASN 361 Cb 1.02 -4.33 -0.03 0.00 -1.54 0.00 0.00 39.78 34.91 3bg5 n ASN 361 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 3bg5 s MET 362 N -6.34 4.26 0.37 3.52 1.75 -0.90 -5.00 119.30 116.97 3bg5 s MET 362 Ca 0.48 1.93 -0.27 0.00 -1.25 0.00 0.00 55.69 56.58 3bg5 s MET 362 Cb -0.23 -3.68 -0.09 0.00 2.84 0.00 0.00 34.83 33.67 3bg5 s MET 362 CO 0.79 -0.64 1.25 -2.14 -0.65 0.00 0.00 175.02 173.64 3bg5 s PRO 362 N 2.86 4.16 0.69 4.11 0.02 -1.26 -4.52 135.00 141.07 3bg5 s PRO 362 Ca 0.63 2.06 -0.17 0.00 0.02 0.00 0.00 61.00 63.55 3bg5 s PRO 362 Cb -0.30 -2.87 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 3bg5 s PRO 362 CO 0.25 -0.30 1.03 0.94 -0.33 0.00 0.00 177.00 178.59 3bg5 n GLN 363 N 0.41 0.66 -0.32 5.54 -0.06 -1.26 -4.48 117.38 117.87 3bg5 n GLN 363 Ca 0.02 0.28 0.19 0.00 -2.00 0.00 0.00 57.00 55.50 3bg5 n GLN 363 Cb 0.44 -2.27 0.39 0.00 -4.06 0.00 0.00 30.24 24.74 3bg5 n GLN 363 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 3bg5 h GLN 364 N -0.02 0.23 -1.02 3.69 5.75 -1.94 0.55 115.11 122.36 3bg5 h GLN 364 Ca -0.48 -0.01 0.27 0.00 -0.15 0.00 0.00 58.65 58.27 3bg5 h GLN 364 Cb 1.34 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 29.77 3bg5 h GLN 364 CO 0.49 0.15 0.68 -0.22 -2.65 0.00 0.00 178.83 177.28 3bg5 h LYS 365 N 0.23 0.27 -0.02 1.69 1.63 -2.01 -2.66 116.57 115.71 3bg5 h LYS 365 Ca 0.66 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.44 3bg5 h LYS 365 Cb 1.45 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 3bg5 h LYS 365 CO -0.66 0.18 -0.20 -0.25 -3.45 0.00 0.00 179.45 175.07 3bg5 n ASP 366 N -4.48 1.99 -4.69 4.20 8.00 0.19 -4.89 116.55 116.87 3bg5 n ASP 366 Ca 0.23 -1.49 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 3bg5 n ASP 366 Cb 0.91 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 42.26 3bg5 n ASP 366 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bg5 s ILE 367 N -1.74 4.06 0.18 0.53 1.01 -1.01 -4.92 121.20 119.32 3bg5 s ILE 367 Ca 0.16 1.42 0.02 0.00 0.00 0.00 0.00 60.65 62.25 3bg5 s ILE 367 Cb 0.14 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3bg5 s ILE 367 CO 0.33 0.01 0.09 0.35 0.00 0.00 0.00 174.94 175.72 3bg5 n THR 368 N 4.56 0.00 -4.98 2.92 -2.24 -1.26 -5.02 114.28 108.26 3bg5 n THR 368 Ca 0.11 -1.10 -0.29 0.00 -2.27 0.00 0.00 64.05 60.51 3bg5 n THR 368 Cb 0.45 0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 68.97 3bg5 n THR 368 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3bg5 s THR 369 N -2.35 1.89 -0.20 4.28 -4.23 -1.26 -4.25 115.64 109.51 3bg5 s THR 369 Ca 0.12 -1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 59.46 3bg5 s THR 369 Cb 0.01 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.25 3bg5 s THR 369 CO 0.09 0.41 -0.11 -0.22 -0.54 0.00 0.00 174.62 174.25 3bg5 s LEU 370 N -0.87 2.59 0.00 4.79 2.96 0.58 -4.99 118.68 123.73 3bg5 s LEU 370 Ca 0.09 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 3bg5 s LEU 370 Cb -0.09 -1.63 0.00 0.00 0.50 0.00 0.00 46.19 44.96 3bg5 s LEU 370 CO 0.00 -0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.64 3bg5 n GLY 371 N 4.69 1.02 3.12 7.98 0.00 -1.26 -4.51 105.19 116.23 3bg5 n GLY 371 Ca -0.19 -0.66 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 3bg5 n GLY 371 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bg5 s TYR 372 N 0.00 0.96 -0.01 1.61 1.51 0.15 -4.50 117.35 117.07 3bg5 s TYR 372 Ca 0.00 -0.49 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 3bg5 s TYR 372 Cb 0.00 -0.55 -0.01 0.00 -0.11 0.00 0.00 41.96 41.29 3bg5 s TYR 372 CO 0.00 -0.01 -0.10 0.00 -1.11 0.00 0.00 175.55 174.33 3bg5 s ALA 373 N -1.37 0.89 -0.05 3.71 0.00 0.31 -1.69 121.76 123.57 3bg5 s ALA 373 Ca -0.05 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.53 3bg5 s ALA 373 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 3bg5 s ALA 373 CO 0.01 0.20 -0.24 0.42 0.00 0.00 0.00 175.76 176.16 3bg5 s ILE 374 N -0.14 2.20 0.10 0.00 1.01 -0.50 -1.20 121.20 122.66 3bg5 s ILE 374 Ca 0.02 -1.03 0.10 0.00 0.00 0.00 0.00 60.65 59.74 3bg5 s ILE 374 Cb -0.05 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3bg5 s ILE 374 CO -0.00 0.57 -0.25 -1.58 0.00 0.00 0.00 174.94 173.68 3bg5 s GLN 375 N -0.33 1.44 0.04 2.79 0.74 -0.62 -1.09 119.66 122.64 3bg5 s GLN 375 Ca 0.01 -1.22 -0.18 0.00 0.05 0.00 0.00 55.36 54.02 3bg5 s GLN 375 Cb -0.12 -1.79 0.04 0.00 1.10 0.00 0.00 33.01 32.23 3bg5 s GLN 375 CO 0.02 0.44 0.41 0.00 -0.55 0.00 0.00 175.29 175.61 3bg5 s ARG 377 N -2.44 3.96 -0.33 0.00 3.00 -1.26 -1.24 118.95 120.64 3bg5 s ARG 377 Ca -0.06 -0.06 -0.21 0.00 0.00 0.00 0.00 55.73 55.40 3bg5 s ARG 377 Cb -0.01 -3.34 -0.00 0.00 0.00 0.00 0.00 34.95 31.60 3bg5 s ARG 377 CO -0.02 0.46 0.65 0.42 0.00 0.00 0.00 175.30 176.81 3bg5 s ILE 378 N -0.15 4.90 0.36 1.52 -1.09 0.28 -4.98 121.20 122.04 3bg5 s ILE 378 Ca 0.13 0.76 0.09 0.00 -2.23 0.00 0.00 60.65 59.40 3bg5 s ILE 378 Cb -0.12 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 36.64 3bg5 s ILE 378 CO 0.02 -0.23 -0.03 0.42 -1.23 0.00 0.00 174.94 173.90 3bg5 s THR 379 N 2.69 2.27 -2.00 2.92 -4.23 -1.26 -0.09 115.64 115.94 3bg5 s THR 379 Ca 0.25 -2.07 0.21 0.00 -1.18 0.00 0.00 61.69 58.91 3bg5 s THR 379 Cb -0.15 -2.79 0.59 0.00 1.34 0.00 0.00 72.50 71.49 3bg5 s THR 379 CO 0.13 -0.14 1.72 0.35 -0.54 0.00 0.00 174.62 176.14 3bg5 n THR 380 N -0.91 0.00 -1.76 3.99 -2.24 -1.22 -2.41 114.28 109.74 3bg5 n THR 380 Ca -0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 3bg5 n THR 380 Cb 0.64 -0.43 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 3bg5 n THR 380 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3bg5 s GLU 381 N -2.00 4.12 -0.47 -0.78 2.02 -1.26 -2.67 118.70 117.67 3bg5 s GLU 381 Ca 0.31 2.59 -0.18 0.00 0.02 0.00 0.00 54.97 57.71 3bg5 s GLU 381 Cb 0.14 -3.03 0.05 0.00 0.10 0.00 0.00 34.13 31.39 3bg5 s GLU 381 CO 0.24 -0.66 0.52 0.34 0.02 0.00 0.00 175.26 175.72 3bg5 s ASP 382 N 0.62 6.20 0.09 -0.19 2.15 -0.55 -2.93 116.67 122.06 3bg5 s ASP 382 Ca 0.65 -0.88 0.16 0.00 0.43 0.00 0.00 52.55 52.91 3bg5 s ASP 382 Cb -0.48 -2.25 0.68 0.00 -0.30 0.00 0.00 42.92 40.57 3bg5 s ASP 382 CO 0.45 -0.73 1.49 -0.81 -0.17 0.00 0.00 175.17 175.40 3bg5 n PRO 383 N 5.79 0.06 -0.04 4.34 -0.04 -1.26 -1.11 135.00 142.74 3bg5 n PRO 383 Ca -0.08 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 63.85 3bg5 n PRO 383 Cb 0.46 -1.63 0.28 0.00 -0.04 0.00 0.00 33.50 32.57 3bg5 n PRO 383 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3bg5 n LEU 384 N -1.74 2.47 -2.54 1.53 4.77 -1.26 -4.42 117.00 115.81 3bg5 n LEU 384 Ca 0.02 -0.89 -0.14 0.00 -0.03 0.00 0.00 56.01 54.98 3bg5 n LEU 384 Cb 0.16 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3bg5 n LEU 384 CO 0.14 0.45 0.04 -3.20 -1.33 0.00 0.00 177.39 173.48 3bg5 n ASN 385 N 0.90 2.90 -2.38 -1.43 2.85 -0.27 -4.94 115.26 112.90 3bg5 n ASN 385 Ca 0.17 -2.96 -0.14 0.00 -0.11 0.00 0.00 54.58 51.53 3bg5 n ASN 385 Cb 0.50 -0.46 -0.01 0.00 1.24 0.00 0.00 39.78 41.04 3bg5 n ASN 385 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 3bg5 n ASP 386 N -0.42 -4.32 -3.10 1.20 4.64 -1.24 -2.62 116.55 110.69 3bg5 n ASP 386 Ca 0.22 0.16 -0.04 0.00 -1.38 0.00 0.00 54.79 53.75 3bg5 n ASP 386 Cb 0.81 -3.66 0.02 0.00 -1.04 0.00 0.00 41.12 37.24 3bg5 n ASP 386 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 3bg5 n PHE 387 N -3.44 -2.82 -3.19 -0.67 3.72 -0.35 -5.01 117.46 105.70 3bg5 n PHE 387 Ca -0.17 1.05 -0.40 0.00 -0.05 0.00 0.00 57.45 57.89 3bg5 n PHE 387 Cb 0.62 -4.11 -0.07 0.00 -0.94 0.00 0.00 39.48 34.99 3bg5 n PHE 387 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 3bg5 s MET 388 N -3.40 4.15 -0.74 -1.08 -1.94 -1.08 -4.65 119.30 110.57 3bg5 s MET 388 Ca 0.13 0.46 -0.26 0.00 -1.71 0.00 0.00 55.69 54.31 3bg5 s MET 388 Cb -0.02 -3.60 -0.04 0.00 2.01 0.00 0.00 34.83 33.19 3bg5 s MET 388 CO 0.74 -0.26 1.92 -2.14 -0.01 0.00 0.00 175.02 175.27 3bg5 s PRO 389 N 1.99 2.56 0.61 2.03 0.02 -1.26 -1.49 135.00 139.47 3bg5 s PRO 389 Ca 0.25 0.23 -0.17 0.00 0.02 0.00 0.00 61.00 61.33 3bg5 s PRO 389 Cb -0.16 -4.69 -0.02 0.00 0.02 0.00 0.00 34.50 29.65 3bg5 s PRO 389 CO 0.09 -3.06 1.15 0.34 -0.33 0.00 0.00 177.00 175.19 3bg5 s ASP 390 N 8.22 5.25 0.39 2.53 3.68 -1.09 -4.96 116.67 130.69 3bg5 s ASP 390 Ca 0.70 2.18 0.06 0.00 2.13 0.00 0.00 52.55 57.62 3bg5 s ASP 390 Cb -0.10 -2.58 -0.08 0.00 -1.45 0.00 0.00 42.92 38.72 3bg5 s ASP 390 CO 0.11 -1.54 0.02 0.42 0.13 0.00 0.00 175.17 174.31 3bg5 s THR 391 N -1.94 1.77 -5.00 1.71 -4.23 -1.26 -4.83 115.64 101.87 3bg5 s THR 391 Ca 0.72 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 3bg5 s THR 391 Cb -0.25 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3bg5 s THR 391 CO 0.35 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.03 3bg5 n GLY 392 N -0.89 0.84 3.18 3.99 0.00 -1.23 -4.85 105.19 106.22 3bg5 n GLY 392 Ca -0.04 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 3bg5 n GLY 392 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bg5 s THR 393 N -3.39 2.08 -0.43 2.61 2.01 -1.26 -0.90 115.64 116.36 3bg5 s THR 393 Ca 0.00 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.73 3bg5 s THR 393 Cb 0.00 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.70 3bg5 s THR 393 CO 0.00 0.55 1.24 -0.63 -0.69 0.00 0.00 174.62 175.08 3bg5 s ILE 394 N 0.78 4.12 0.24 1.82 1.01 -1.04 -4.54 121.20 123.60 3bg5 s ILE 394 Ca -0.08 1.17 0.05 0.00 0.00 0.00 0.00 60.65 61.79 3bg5 s ILE 394 Cb -0.16 -4.43 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 3bg5 s ILE 394 CO -0.01 -0.85 1.57 0.16 0.00 0.00 0.00 174.94 175.81 3bg5 h ILE 395 N 6.25 1.38 -2.71 2.92 3.07 -1.79 0.53 117.51 127.16 3bg5 h ILE 395 Ca -0.24 -1.95 -0.12 0.00 1.55 0.00 0.00 64.86 64.10 3bg5 h ILE 395 Cb 1.08 1.98 -0.24 0.00 -0.27 0.00 0.00 36.82 39.37 3bg5 h ILE 395 CO 1.10 0.58 -0.22 0.00 -1.05 0.00 0.00 178.15 178.56 3bg5 s ALA 396 N -3.78 -1.05 -0.07 0.16 0.00 -1.25 -4.55 121.76 111.22 3bg5 s ALA 396 Ca -0.04 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.09 3bg5 s ALA 396 Cb 0.12 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.59 3bg5 s ALA 396 CO 0.79 -0.20 -0.01 -0.47 0.00 0.00 0.00 175.76 175.87 3bg5 s TYR 397 N 0.18 0.75 -0.08 0.00 6.14 -1.26 -2.80 117.35 120.28 3bg5 s TYR 397 Ca -0.00 -0.22 -0.01 0.00 0.64 0.00 0.00 57.07 57.47 3bg5 s TYR 397 Cb -0.03 -0.80 0.03 0.00 0.42 0.00 0.00 41.96 41.58 3bg5 s TYR 397 CO 0.01 -0.31 0.00 1.03 0.64 0.00 0.00 175.55 176.92 3bg5 s ARG 398 N 1.71 0.62 0.00 4.97 0.52 -0.54 -4.71 118.95 121.53 3bg5 s ARG 398 Ca 0.01 0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 3bg5 s ARG 398 Cb -0.13 -1.09 0.00 0.00 0.52 0.00 0.00 34.95 34.25 3bg5 s ARG 398 CO -0.04 -0.33 0.00 -1.13 0.02 0.00 0.00 175.30 173.81 3bg5 n SER 399 N 5.14 0.06 0.00 0.23 3.41 -1.26 -1.12 113.62 120.08 3bg5 n SER 399 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 3bg5 n SER 399 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3bg5 n SER 399 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3bg5 n SER 400 N 0.00 0.00 0.00 4.04 3.41 -1.26 -4.74 113.62 115.07 3bg5 n SER 400 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3bg5 n SER 400 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3bg5 n SER 400 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bg5 n GLY 401 N 0.77 0.22 0.00 5.00 0.00 -1.26 -5.14 105.19 104.78 3bg5 n GLY 401 Ca 0.00 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.97 3bg5 n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 402 N 0.00 2.09 3.61 -0.02 0.00 -1.26 -4.82 105.19 104.78 3bg5 n GLY 402 Ca 0.00 -1.95 -0.50 0.00 0.00 0.00 0.00 46.02 43.57 3bg5 n GLY 402 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bg5 n PHE 403 N 1.55 1.72 -1.60 1.61 -0.00 -1.26 -2.21 117.46 117.27 3bg5 n PHE 403 Ca 0.00 0.53 -0.07 0.00 -0.00 0.00 0.00 57.45 57.91 3bg5 n PHE 403 Cb 0.00 -2.39 -0.02 0.00 -0.00 0.00 0.00 39.48 37.07 3bg5 n PHE 403 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3bg5 n GLY 404 N 2.67 0.56 3.26 7.13 0.00 -1.26 -4.93 105.19 112.62 3bg5 n GLY 404 Ca 0.17 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 3bg5 n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bg5 s VAL 405 N -2.30 1.79 -0.07 1.61 1.01 -0.94 -0.98 120.40 120.52 3bg5 s VAL 405 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3bg5 s VAL 405 Cb 0.00 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3bg5 s VAL 405 CO 0.00 0.45 -0.05 -0.60 0.00 0.00 0.00 175.10 174.90 3bg5 s ARG 406 N -0.68 1.07 -0.39 2.72 3.00 0.50 -4.77 118.95 120.40 3bg5 s ARG 406 Ca 0.09 -0.13 -0.04 0.00 -1.00 0.00 0.00 55.73 54.65 3bg5 s ARG 406 Cb -0.09 -1.15 0.09 0.00 0.00 0.00 0.00 34.95 33.80 3bg5 s ARG 406 CO -0.00 -0.18 0.18 -0.51 0.00 0.00 0.00 175.30 174.79 3bg5 s LEU 407 N 1.39 4.96 -0.43 -0.88 1.43 -1.26 -1.74 118.68 122.15 3bg5 s LEU 407 Ca -0.03 -1.76 -0.20 0.00 -1.03 0.00 0.00 54.13 51.12 3bg5 s LEU 407 Cb -0.13 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3bg5 s LEU 407 CO -0.03 -0.49 0.58 -1.81 0.23 0.00 0.00 176.35 174.83 3bg5 s ASP 408 N 1.78 6.29 -0.06 2.29 1.01 -0.28 -4.98 116.67 122.72 3bg5 s ASP 408 Ca 0.04 -0.40 -0.14 0.00 0.71 0.00 0.00 52.55 52.76 3bg5 s ASP 408 Cb -0.22 -2.29 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 3bg5 s ASP 408 CO -0.02 -0.71 0.36 0.00 0.21 0.00 0.00 175.17 175.01 3bg5 s ALA 409 N 2.62 3.68 0.00 5.23 0.00 -1.26 -0.35 121.76 131.67 3bg5 s ALA 409 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.84 3bg5 s ALA 409 Cb -0.15 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.61 3bg5 s ALA 409 CO 0.17 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.71 3bg5 n GLY 410 N 2.30 0.90 0.00 0.00 0.00 -0.35 -3.44 105.19 104.60 3bg5 n GLY 410 Ca -0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.02 3bg5 n GLY 410 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3bg5 n ASP 411 N 0.00 0.04 -4.49 1.61 8.00 -0.58 -4.76 116.55 116.36 3bg5 n ASP 411 Ca 0.00 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 3bg5 n ASP 411 Cb 0.00 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 3bg5 n ASP 411 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bg5 s GLY 412 N -2.96 1.25 0.05 0.44 0.00 -0.42 -4.85 107.32 100.83 3bg5 s GLY 412 Ca 0.15 -1.80 -0.27 0.00 0.00 0.00 0.00 44.72 42.80 3bg5 s GLY 412 CO 0.53 2.31 0.67 -0.11 0.00 0.00 0.00 173.10 176.50 3bg5 s PHE 413 N 4.58 -0.56 -0.03 1.90 -0.12 -1.26 -4.94 117.98 117.54 3bg5 s PHE 413 Ca 0.29 0.64 -0.30 0.00 -0.05 0.00 0.00 56.93 57.51 3bg5 s PHE 413 Cb -0.11 0.50 -0.06 0.00 -0.63 0.00 0.00 43.02 42.72 3bg5 s PHE 413 CO 0.08 -0.71 1.57 1.14 -0.05 0.00 0.00 175.22 177.25 3bg5 s GLN 414 N -2.61 4.21 0.00 1.99 -2.07 -1.26 -2.91 119.66 117.00 3bg5 s GLN 414 Ca -0.03 2.12 0.00 0.00 -1.82 0.00 0.00 55.36 55.62 3bg5 s GLN 414 Cb -0.01 -3.82 0.00 0.00 -1.09 0.00 0.00 33.01 28.09 3bg5 s GLN 414 CO -0.03 -0.76 0.00 0.41 -1.32 0.00 0.00 175.29 173.58 3bg5 n GLY 415 N 3.96 0.97 3.66 2.60 0.00 0.19 -5.00 105.19 111.58 3bg5 n GLY 415 Ca 0.16 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3bg5 n GLY 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 s ALA 416 N -2.53 3.42 -0.53 4.61 0.00 -1.15 -4.91 121.76 120.67 3bg5 s ALA 416 Ca 0.00 -0.74 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 3bg5 s ALA 416 Cb 0.00 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.33 3bg5 s ALA 416 CO 0.00 0.28 0.70 -1.21 0.00 0.00 0.00 175.76 175.53 3bg5 s GLU 417 N 0.06 3.14 -0.37 0.00 0.41 -1.26 -2.49 118.70 118.19 3bg5 s GLU 417 Ca 0.05 -0.85 -0.29 0.00 -0.41 0.00 0.00 54.97 53.48 3bg5 s GLU 417 Cb -0.12 -4.12 0.02 0.00 -1.78 0.00 0.00 34.13 28.13 3bg5 s GLU 417 CO 0.01 -1.33 1.08 0.42 -0.49 0.00 0.00 175.26 174.95 3bg5 s ILE 418 N 2.91 4.42 -0.19 -1.63 1.01 -0.07 -4.99 121.20 122.66 3bg5 s ILE 418 Ca 0.17 1.54 -0.08 0.00 0.00 0.00 0.00 60.65 62.29 3bg5 s ILE 418 Cb -0.19 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.77 3bg5 s ILE 418 CO 0.12 -0.65 0.09 -0.94 0.00 0.00 0.00 174.94 173.56 3bg5 s SER 419 N 1.92 5.78 0.00 3.58 1.04 -1.26 -3.51 113.70 121.24 3bg5 s SER 419 Ca 0.46 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.99 3bg5 s SER 419 Cb -0.11 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.01 3bg5 s SER 419 CO 0.21 0.16 0.41 -0.81 0.98 0.00 0.00 173.24 174.18 3bg5 n PRO 420 N 3.65 0.51 0.00 4.02 -0.04 -1.26 -3.15 135.00 138.73 3bg5 n PRO 420 Ca -0.16 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.41 3bg5 n PRO 420 Cb 0.52 -1.10 0.15 0.00 -0.04 0.00 0.00 33.50 33.03 3bg5 n PRO 420 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bg5 n TYR 421 N -0.21 0.00 -4.32 0.54 4.02 -1.26 -4.92 117.16 111.02 3bg5 n TYR 421 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.71 3bg5 n TYR 421 Cb 0.05 -0.15 -0.10 0.00 -0.02 0.00 0.00 39.34 39.12 3bg5 n TYR 421 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3bg5 s TYR 422 N -2.91 1.62 0.23 -0.72 1.51 -1.19 -4.50 117.35 111.40 3bg5 s TYR 422 Ca 0.12 -0.59 -0.31 0.00 -1.01 0.00 0.00 57.07 55.28 3bg5 s TYR 422 Cb 0.17 -0.78 -0.13 0.00 -0.11 0.00 0.00 41.96 41.11 3bg5 s TYR 422 CO 0.72 0.29 1.41 -0.25 -1.11 0.00 0.00 175.55 176.60 3bg5 n ASP 423 N -0.18 2.72 -1.24 2.29 9.92 -1.26 -4.86 116.55 123.93 3bg5 n ASP 423 Ca -0.10 1.14 -0.05 0.00 -0.53 0.00 0.00 54.79 55.25 3bg5 n ASP 423 Cb 0.60 -1.42 0.04 0.00 -0.64 0.00 0.00 41.12 39.70 3bg5 n ASP 423 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3bg5 n SER 424 N 2.21 3.12 -4.57 -2.24 3.41 -1.26 -4.90 113.62 109.40 3bg5 n SER 424 Ca 0.12 -2.33 -0.38 0.00 -0.26 0.00 0.00 58.87 56.01 3bg5 n SER 424 Cb 0.31 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.66 3bg5 n SER 424 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3bg5 s LEU 425 N -0.69 3.41 -0.11 1.04 2.96 -1.26 -3.42 118.68 120.60 3bg5 s LEU 425 Ca 0.12 1.21 -0.09 0.00 -0.22 0.00 0.00 54.13 55.15 3bg5 s LEU 425 Cb 0.10 -2.81 -0.08 0.00 0.50 0.00 0.00 46.19 43.90 3bg5 s LEU 425 CO 0.02 -2.54 0.26 -0.07 -1.32 0.00 0.00 176.35 172.70 3bg5 h LEU 426 N 17.86 -0.02 -7.72 -0.68 3.38 -0.85 -1.54 115.31 125.74 3bg5 h LEU 426 Ca -0.29 -0.28 -0.34 0.00 0.09 0.00 0.00 57.88 57.06 3bg5 h LEU 426 Cb 1.24 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.68 3bg5 h LEU 426 CO 1.11 0.62 -0.75 -0.69 0.09 0.00 0.00 178.44 178.82 3bg5 s VAL 427 N -1.85 0.29 -0.21 1.22 1.01 -1.06 -1.22 120.40 118.59 3bg5 s VAL 427 Ca -0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 3bg5 s VAL 427 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 3bg5 s VAL 427 CO 0.21 0.14 0.37 -0.75 0.00 0.00 0.00 175.10 175.07 3bg5 s LYS 428 N 0.60 4.16 -0.10 2.72 2.20 0.52 1.00 119.74 130.84 3bg5 s LYS 428 Ca -0.06 0.15 0.02 0.00 -0.36 0.00 0.00 55.97 55.72 3bg5 s LYS 428 Cb -0.10 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 3bg5 s LYS 428 CO -0.01 -0.03 -0.16 -1.17 -0.36 0.00 0.00 175.35 173.62 3bg5 s LEU 429 N 1.28 1.79 -0.02 5.43 2.96 -0.37 -1.13 118.68 128.61 3bg5 s LEU 429 Ca 0.18 -0.43 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 3bg5 s LEU 429 Cb -0.15 -1.10 0.01 0.00 0.50 0.00 0.00 46.19 45.45 3bg5 s LEU 429 CO 0.07 0.05 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.69 3bg5 s SER 430 N 0.78 0.53 0.21 3.68 0.01 -0.71 -1.05 113.70 117.15 3bg5 s SER 430 Ca -0.11 -0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.14 3bg5 s SER 430 Cb -0.16 -0.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.86 3bg5 s SER 430 CO 0.02 -0.01 -0.09 0.42 0.41 0.00 0.00 173.24 173.98 3bg5 s THR 431 N 0.41 1.44 -0.18 1.44 -4.23 -0.25 -0.37 115.64 113.89 3bg5 s THR 431 Ca -0.04 -2.12 -0.13 0.00 -1.18 0.00 0.00 61.69 58.21 3bg5 s THR 431 Cb -0.07 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.69 3bg5 s THR 431 CO -0.01 -0.53 0.46 -2.28 -0.54 0.00 0.00 174.62 171.72 3bg5 s HIS 432 N -3.16 -0.58 0.01 3.99 5.04 -0.15 -1.41 115.29 119.03 3bg5 s HIS 432 Ca 0.23 1.31 -0.28 0.00 -1.54 0.00 0.00 55.06 54.78 3bg5 s HIS 432 Cb 0.02 0.24 0.10 0.00 0.04 0.00 0.00 32.58 32.98 3bg5 s HIS 432 CO 0.07 -0.30 0.86 0.00 -2.34 0.00 0.00 174.74 173.02 3bg5 s ALA 433 N 0.77 -1.80 0.45 1.58 0.00 -0.68 -4.71 121.76 117.37 3bg5 s ALA 433 Ca -0.04 0.98 0.11 0.00 0.00 0.00 0.00 51.96 53.00 3bg5 s ALA 433 Cb -0.05 0.43 1.02 0.00 0.00 0.00 0.00 23.12 24.52 3bg5 s ALA 433 CO -0.06 -0.68 2.09 -0.84 0.00 0.00 0.00 175.76 176.27 3bg5 h ILE 434 N 2.02 1.07 -3.83 0.00 -0.00 -1.90 0.44 117.51 115.31 3bg5 h ILE 434 Ca -0.23 -0.13 -0.68 0.00 -0.00 0.00 0.00 64.86 63.81 3bg5 h ILE 434 Cb 1.25 0.71 -0.20 0.00 -0.00 0.00 0.00 36.82 38.57 3bg5 h ILE 434 CO 0.32 0.07 -0.75 -0.94 -0.00 0.00 0.00 178.15 176.84 3bg5 s SER 435 N -6.84 4.22 0.21 2.16 1.04 -1.26 -4.17 113.70 109.06 3bg5 s SER 435 Ca -0.07 -0.24 -0.16 0.00 0.48 0.00 0.00 55.95 55.96 3bg5 s SER 435 Cb 0.17 -0.88 0.22 0.00 0.10 0.00 0.00 66.02 65.63 3bg5 s SER 435 CO 0.71 0.29 1.59 0.15 0.98 0.00 0.00 173.24 176.96 3bg5 h PHE 436 N 4.76 -0.69 -0.65 5.02 3.57 -1.89 -0.90 116.94 126.15 3bg5 h PHE 436 Ca -0.48 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.10 3bg5 h PHE 436 Cb 1.16 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 3bg5 h PHE 436 CO 0.54 -0.36 0.43 1.57 -2.23 0.00 0.00 178.31 178.27 3bg5 h LYS 437 N -0.07 0.84 -0.88 1.11 -0.00 -1.95 0.11 116.57 115.73 3bg5 h LYS 437 Ca 0.30 -0.05 0.03 0.00 -0.00 0.00 0.00 60.65 60.93 3bg5 h LYS 437 Cb 0.55 -0.19 -0.05 0.00 -0.00 0.00 0.00 32.23 32.54 3bg5 h LYS 437 CO -0.75 0.56 0.58 1.96 -0.00 0.00 0.00 179.45 181.80 3bg5 h GLN 438 N 0.87 1.10 -0.28 0.07 4.20 -1.78 0.41 115.11 119.69 3bg5 h GLN 438 Ca 0.24 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3bg5 h GLN 438 Cb -0.09 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.43 3bg5 h GLN 438 CO -0.06 0.73 0.09 0.00 -0.67 0.00 0.00 178.83 178.92 3bg5 h ALA 439 N 1.47 0.37 0.00 3.87 0.00 -0.28 -1.07 119.26 123.63 3bg5 h ALA 439 Ca 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3bg5 h ALA 439 Cb -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3bg5 h ALA 439 CO -0.09 0.00 -0.15 1.49 0.00 0.00 0.00 179.25 180.50 3bg5 h GLU 440 N 0.30 0.00 -0.06 0.00 4.22 -0.08 -0.82 114.58 118.14 3bg5 h GLU 440 Ca 0.09 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.29 3bg5 h GLU 440 Cb 0.24 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.50 3bg5 h GLU 440 CO -0.00 0.15 -0.92 0.93 -2.18 0.00 0.00 179.01 176.99 3bg5 h GLU 441 N 0.00 0.67 -0.58 1.92 5.08 0.23 -0.98 114.58 120.93 3bg5 h GLU 441 Ca -0.00 -0.65 -0.07 0.00 -1.00 0.00 0.00 59.36 57.64 3bg5 h GLU 441 Cb 0.30 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3bg5 h GLU 441 CO 0.02 1.25 0.09 0.87 -1.00 0.00 0.00 179.01 180.24 3bg5 h LYS 442 N 0.41 0.95 0.11 2.33 1.57 -0.94 -2.50 116.57 118.50 3bg5 h LYS 442 Ca -0.09 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3bg5 h LYS 442 Cb 1.56 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.76 3bg5 h LYS 442 CO 0.18 0.91 -0.05 1.98 -0.57 0.00 0.00 179.45 181.90 3bg5 h MET 443 N 0.85 -0.14 -0.62 3.15 4.05 -1.12 -1.20 114.93 119.90 3bg5 h MET 443 Ca 0.17 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.60 3bg5 h MET 443 Cb 0.42 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.22 3bg5 h MET 443 CO 0.01 0.11 0.36 -0.24 0.23 0.00 0.00 176.91 177.39 3bg5 h VAL 444 N -0.38 1.18 -0.25 -5.77 3.04 -1.22 -2.28 116.25 110.57 3bg5 h VAL 444 Ca -0.01 -0.41 -0.03 0.00 -1.01 0.00 0.00 66.70 65.24 3bg5 h VAL 444 Cb 0.31 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 3bg5 h VAL 444 CO 0.02 0.19 0.05 -0.09 -1.01 0.00 0.00 177.57 176.74 3bg5 h ARG 445 N 0.85 0.40 -0.65 4.17 2.43 -1.27 -2.07 114.38 118.25 3bg5 h ARG 445 Ca 0.22 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 3bg5 h ARG 445 Cb -0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3bg5 h ARG 445 CO -0.04 0.51 0.07 0.77 -1.51 0.00 0.00 179.97 179.77 3bg5 h SER 446 N 0.22 1.05 -0.11 -3.80 0.02 -0.88 -0.60 113.55 109.45 3bg5 h SER 446 Ca 0.08 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3bg5 h SER 446 Cb 0.29 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3bg5 h SER 446 CO 0.00 1.06 0.07 -0.07 -1.14 0.00 0.00 176.83 176.75 3bg5 h LEU 447 N 1.01 0.13 -1.65 5.07 3.38 -1.41 -1.89 115.31 119.95 3bg5 h LEU 447 Ca 0.19 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3bg5 h LEU 447 Cb 0.48 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3bg5 h LEU 447 CO 0.02 0.12 0.09 0.03 0.09 0.00 0.00 178.44 178.79 3bg5 h ARG 448 N 0.13 0.32 -0.01 1.13 3.08 -0.90 -1.76 114.38 116.37 3bg5 h ARG 448 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3bg5 h ARG 448 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3bg5 h ARG 448 CO -0.01 0.27 -0.21 0.39 -1.07 0.00 0.00 179.97 179.34 3bg5 n GLU 449 N -4.44 0.77 -2.46 0.04 1.02 -0.27 -4.87 120.64 110.42 3bg5 n GLU 449 Ca 0.00 -0.40 -0.36 0.00 -0.02 0.00 0.00 57.16 56.38 3bg5 n GLU 449 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 3bg5 n GLU 449 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3bg5 s MET 450 N -2.50 3.97 -0.18 3.49 -1.94 -0.66 -4.71 119.30 116.76 3bg5 s MET 450 Ca 0.25 1.55 -0.04 0.00 -1.71 0.00 0.00 55.69 55.74 3bg5 s MET 450 Cb 0.19 -2.40 0.08 0.00 2.01 0.00 0.00 34.83 34.72 3bg5 s MET 450 CO 0.51 -0.32 0.21 1.03 -0.01 0.00 0.00 175.02 176.44 3bg5 s ARG 451 N -2.71 0.16 -0.06 2.03 0.52 -0.28 -5.02 118.95 113.60 3bg5 s ARG 451 Ca 0.62 0.27 0.04 0.00 -0.52 0.00 0.00 55.73 56.13 3bg5 s ARG 451 Cb -0.23 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.19 3bg5 s ARG 451 CO 0.28 -0.59 -0.17 0.42 0.02 0.00 0.00 175.30 175.25 3bg5 s ILE 452 N 2.32 1.48 0.02 1.52 1.01 -1.26 -1.46 121.20 124.82 3bg5 s ILE 452 Ca 0.06 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.01 3bg5 s ILE 452 Cb -0.15 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.02 3bg5 s ILE 452 CO -0.11 0.43 -0.05 -0.13 0.00 0.00 0.00 174.94 175.08 3bg5 s ARG 453 N 0.25 0.40 0.00 2.79 0.52 -1.12 -4.83 118.95 116.96 3bg5 s ARG 453 Ca -0.09 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.67 3bg5 s ARG 453 Cb -0.14 -0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.09 3bg5 s ARG 453 CO 0.04 0.05 0.00 0.41 0.02 0.00 0.00 175.30 175.82 3bg5 n GLY 454 N 2.18 0.87 2.97 -3.53 0.00 -1.26 -2.20 105.19 104.23 3bg5 n GLY 454 Ca -0.18 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 3bg5 n GLY 454 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bg5 s VAL 455 N -1.21 0.35 0.65 1.61 -7.23 -1.26 -4.57 120.40 108.73 3bg5 s VAL 455 Ca 0.00 -0.49 -0.15 0.00 -1.81 0.00 0.00 61.98 59.52 3bg5 s VAL 455 Cb 0.00 -0.36 -0.00 0.00 0.56 0.00 0.00 36.38 36.58 3bg5 s VAL 455 CO 0.00 -0.10 1.12 -0.54 -0.31 0.00 0.00 175.10 175.27 3bg5 s LYS 456 N -0.64 2.81 0.41 4.82 3.01 -1.26 -4.99 119.74 123.89 3bg5 s LYS 456 Ca -0.03 1.45 0.04 0.00 -1.01 0.00 0.00 55.97 56.41 3bg5 s LYS 456 Cb -0.05 -1.95 -0.02 0.00 -1.01 0.00 0.00 37.83 34.80 3bg5 s LYS 456 CO -0.00 -1.25 0.14 0.95 0.51 0.00 0.00 175.35 175.70 3bg5 s THR 457 N -2.25 0.54 -2.52 2.17 -4.23 -1.26 -4.34 115.64 103.75 3bg5 s THR 457 Ca 0.68 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 59.42 3bg5 s THR 457 Cb -0.22 -2.33 0.40 0.00 1.34 0.00 0.00 72.50 71.70 3bg5 s THR 457 CO 0.40 0.00 1.44 -0.46 -0.54 0.00 0.00 174.62 175.46 3bg5 n ASN 458 N -1.37 2.76 -0.19 3.99 6.94 -1.01 -4.51 115.26 121.87 3bg5 n ASN 458 Ca -0.06 -1.89 -0.01 0.00 -0.02 0.00 0.00 54.58 52.61 3bg5 n ASN 458 Cb 0.65 -0.15 0.08 0.00 -2.36 0.00 0.00 39.78 37.99 3bg5 n ASN 458 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3bg5 h ILE 459 N 3.75 0.51 -0.22 1.53 2.04 -1.90 -0.74 117.51 122.48 3bg5 h ILE 459 Ca 0.00 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3bg5 h ILE 459 Cb 0.82 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3bg5 h ILE 459 CO 0.00 0.02 -0.03 -0.65 0.00 0.00 0.00 178.15 177.49 3bg5 h PRO 460 N 0.08 0.33 -0.14 2.37 0.11 -1.97 -0.97 132.00 131.82 3bg5 h PRO 460 Ca 0.29 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.28 3bg5 h PRO 460 Cb 0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3bg5 h PRO 460 CO -0.51 0.38 -0.15 0.35 -0.21 0.00 0.00 178.00 177.87 3bg5 h PHE 461 N 0.32 0.42 -0.58 0.65 3.57 -1.48 -2.53 116.94 117.31 3bg5 h PHE 461 Ca 0.07 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3bg5 h PHE 461 Cb 0.26 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3bg5 h PHE 461 CO 0.01 0.75 0.38 -0.07 -2.23 0.00 0.00 178.31 177.14 3bg5 h LEU 462 N -0.03 0.67 -0.49 0.59 3.38 -0.87 -1.77 115.31 116.80 3bg5 h LEU 462 Ca 0.02 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.05 3bg5 h LEU 462 Cb 0.68 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 3bg5 h LEU 462 CO 0.04 0.49 0.09 0.40 0.09 0.00 0.00 178.44 179.55 3bg5 h ILE 463 N 0.78 0.71 -0.93 1.22 2.04 -1.21 -1.02 117.51 119.10 3bg5 h ILE 463 Ca 0.21 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 66.04 3bg5 h ILE 463 Cb -0.08 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 3bg5 h ILE 463 CO -0.04 0.04 0.60 0.78 0.00 0.00 0.00 178.15 179.52 3bg5 h ASN 464 N 0.22 0.98 0.08 1.72 -0.26 -0.97 0.13 115.58 117.47 3bg5 h ASN 464 Ca 0.25 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.99 3bg5 h ASN 464 Cb 0.34 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.39 3bg5 h ASN 464 CO -0.34 0.65 -0.04 0.58 -1.06 0.00 0.00 177.43 177.23 3bg5 h VAL 465 N 1.13 1.00 -0.55 2.81 2.07 -0.79 -2.15 116.25 119.77 3bg5 h VAL 465 Ca 0.39 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.67 3bg5 h VAL 465 Cb 0.08 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3bg5 h VAL 465 CO -0.14 0.07 0.32 0.24 0.02 0.00 0.00 177.57 178.07 3bg5 h MET 466 N -0.22 0.60 0.00 1.57 2.86 -0.54 -2.51 114.93 116.68 3bg5 h MET 466 Ca -0.01 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3bg5 h MET 466 Cb 0.19 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3bg5 h MET 466 CO 0.02 0.40 -0.19 0.87 1.06 0.00 0.00 176.91 179.07 3bg5 h LYS 467 N 0.62 0.00 -6.96 1.72 1.79 -0.74 -3.44 116.57 109.57 3bg5 h LYS 467 Ca 0.23 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.17 3bg5 h LYS 467 Cb 0.07 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 30.81 3bg5 h LYS 467 CO -0.12 0.19 0.63 1.21 -1.08 0.00 0.00 179.45 180.27 3bg5 s ASN 468 N -6.12 6.23 0.24 0.86 3.84 -0.81 -4.93 114.94 114.24 3bg5 s ASN 468 Ca 0.01 2.70 -0.06 0.00 0.21 0.00 0.00 52.86 55.71 3bg5 s ASN 468 Cb 0.10 -2.64 0.23 0.00 -0.55 0.00 0.00 41.25 38.39 3bg5 s ASN 468 CO 0.62 -0.91 1.86 0.11 -2.79 0.00 0.00 177.10 175.99 3bg5 h LYS 469 N 2.60 1.24 -0.06 0.43 1.57 -1.90 -2.82 116.57 117.64 3bg5 h LYS 469 Ca -0.50 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.05 3bg5 h LYS 469 Cb 1.25 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3bg5 h LYS 469 CO 0.62 0.91 -0.38 0.87 -0.57 0.00 0.00 179.45 180.90 3bg5 h LYS 470 N 1.25 0.13 -0.15 3.15 1.57 -1.92 -2.83 116.57 117.77 3bg5 h LYS 470 Ca 0.31 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 3bg5 h LYS 470 Cb 0.03 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3bg5 h LYS 470 CO -0.05 0.50 -0.32 0.35 -0.57 0.00 0.00 179.45 179.36 3bg5 h PHE 471 N 0.11 0.61 0.00 -1.35 3.04 -1.78 -3.31 116.94 114.27 3bg5 h PHE 471 Ca 0.01 -0.23 -0.08 0.00 3.98 0.00 0.00 57.97 61.65 3bg5 h PHE 471 Cb 0.73 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 3bg5 h PHE 471 CO 0.01 0.95 -0.40 1.79 -2.02 0.00 0.00 178.31 178.63 3bg5 h THR 472 N 0.09 1.18 0.00 4.41 1.35 -1.42 -2.43 112.91 116.09 3bg5 h THR 472 Ca 0.00 -1.43 -0.03 0.00 -0.55 0.00 0.00 66.41 64.40 3bg5 h THR 472 Cb 0.92 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3bg5 h THR 472 CO 0.07 0.39 -0.14 0.77 -0.25 0.00 0.00 175.52 176.36 3bg5 h SER 473 N 0.00 0.00 0.00 5.36 4.64 -1.59 -3.47 113.55 118.49 3bg5 h SER 473 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bg5 h SER 473 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3bg5 h SER 473 CO 0.05 0.14 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 3bg5 n GLY 474 N -0.79 2.95 3.51 -0.77 0.00 -0.92 -4.83 105.19 104.34 3bg5 n GLY 474 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3bg5 n GLY 474 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bg5 s ASP 475 N -0.27 6.32 -0.01 1.61 1.11 -1.26 -4.61 116.67 119.55 3bg5 s ASP 475 Ca 0.00 -1.08 -0.16 0.00 0.18 0.00 0.00 52.55 51.50 3bg5 s ASP 475 Cb 0.00 -2.50 0.03 0.00 1.07 0.00 0.00 42.92 41.51 3bg5 s ASP 475 CO 0.00 -1.54 0.33 -0.72 1.18 0.00 0.00 175.17 174.42 3bg5 s TYR 476 N 4.68 -0.20 0.23 4.23 1.13 -1.26 -4.81 117.35 121.35 3bg5 s TYR 476 Ca 0.34 0.28 0.01 0.00 -1.41 0.00 0.00 57.07 56.29 3bg5 s TYR 476 Cb -0.08 0.12 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 3bg5 s TYR 476 CO 0.04 -0.42 0.08 0.25 -2.51 0.00 0.00 175.55 173.00 3bg5 n THR 477 N 1.17 0.00 0.35 -3.49 -2.24 -1.26 -4.80 114.28 104.01 3bg5 n THR 477 Ca -0.21 -1.02 0.13 0.00 -2.27 0.00 0.00 64.05 60.68 3bg5 n THR 477 Cb 0.56 -0.02 0.56 0.00 -2.10 0.00 0.00 70.33 69.33 3bg5 n THR 477 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3bg5 h THR 478 N 0.86 0.00 0.00 4.28 1.35 -1.28 -2.18 112.91 115.95 3bg5 h THR 478 Ca -0.17 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3bg5 h THR 478 Cb 0.57 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3bg5 h THR 478 CO 0.28 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.66 3bg5 h LYS 479 N 0.00 0.00 -0.98 4.72 1.79 -1.83 -3.39 116.57 116.88 3bg5 h LYS 479 Ca 0.00 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.65 3bg5 h LYS 479 Cb 0.36 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 30.83 3bg5 h LYS 479 CO 0.00 0.00 -0.30 0.35 -1.08 0.00 0.00 179.45 178.42 3bg5 h PHE 480 N 0.00 -0.75 0.05 -1.35 3.57 -1.69 -1.51 116.94 115.27 3bg5 h PHE 480 Ca 0.00 0.10 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3bg5 h PHE 480 Cb 0.78 0.48 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3bg5 h PHE 480 CO 0.00 -0.42 -0.03 0.82 -2.23 0.00 0.00 178.31 176.46 3bg5 h ILE 481 N -0.00 1.15 0.00 1.41 2.04 -1.78 -3.06 117.51 117.27 3bg5 h ILE 481 Ca 0.42 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 3bg5 h ILE 481 Cb 0.67 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3bg5 h ILE 481 CO -1.00 0.17 -0.27 1.05 0.00 0.00 0.00 178.15 178.10 3bg5 h GLU 482 N -0.38 0.00 -0.06 2.37 4.11 -1.67 -2.60 114.58 116.36 3bg5 h GLU 482 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3bg5 h GLU 482 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3bg5 h GLU 482 CO 0.01 0.27 0.00 0.39 0.07 0.00 0.00 179.01 179.75 3bg5 n GLU 483 N -4.17 1.33 -3.73 1.06 1.02 -0.63 -4.49 120.64 111.03 3bg5 n GLU 483 Ca -0.02 -0.50 -0.29 0.00 -0.02 0.00 0.00 57.16 56.33 3bg5 n GLU 483 Cb 0.32 -1.38 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 3bg5 n GLU 483 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3bg5 s THR 484 N -1.93 1.65 0.24 2.62 2.01 -0.98 -4.97 115.64 114.27 3bg5 s THR 484 Ca 0.34 -2.95 0.25 0.00 0.31 0.00 0.00 61.69 59.64 3bg5 s THR 484 Cb 0.17 -2.13 0.25 0.00 0.01 0.00 0.00 72.50 70.79 3bg5 s THR 484 CO 0.27 -0.95 1.91 -0.65 -0.69 0.00 0.00 174.62 174.51 3bg5 h PRO 485 N 6.33 0.00 0.00 4.92 0.11 -1.79 -3.11 132.00 138.46 3bg5 h PRO 485 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3bg5 h PRO 485 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3bg5 h PRO 485 CO 0.53 0.20 0.00 -0.85 -0.21 0.00 0.00 178.00 177.67 3bg5 n GLU 486 N -3.48 0.90 0.15 1.05 0.00 -1.26 -2.87 120.64 115.12 3bg5 n GLU 486 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.28 3bg5 n GLU 486 Cb 0.37 -1.18 0.37 0.00 0.00 0.00 0.00 31.44 31.00 3bg5 n GLU 486 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3bg5 h LEU 487 N 0.00 0.00 -3.68 -1.84 3.38 -1.91 -3.06 115.31 108.19 3bg5 h LEU 487 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3bg5 h LEU 487 Cb 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.65 3bg5 h LEU 487 CO 0.00 0.00 0.20 0.49 0.09 0.00 0.00 178.44 179.22 3bg5 n PHE 488 N -2.51 2.31 -2.65 1.13 3.01 -1.14 -4.71 117.46 112.91 3bg5 n PHE 488 Ca 0.05 -1.12 -0.43 0.00 1.01 0.00 0.00 57.45 56.96 3bg5 n PHE 488 Cb 0.43 -0.64 -0.00 0.00 -0.01 0.00 0.00 39.48 39.25 3bg5 n PHE 488 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3bg5 s ASP 489 N -1.07 6.85 -0.25 4.37 -1.08 -1.16 -4.95 116.67 119.39 3bg5 s ASP 489 Ca 0.55 -2.45 0.03 0.00 -0.52 0.00 0.00 52.55 50.15 3bg5 s ASP 489 Cb 0.43 -2.55 0.05 0.00 -1.46 0.00 0.00 42.92 39.40 3bg5 s ASP 489 CO 0.14 -1.13 -0.12 -0.63 0.52 0.00 0.00 175.17 173.95 3bg5 s ILE 490 N 3.82 2.12 0.39 4.11 1.01 -1.26 -5.03 121.20 126.36 3bg5 s ILE 490 Ca 0.51 -1.51 -0.24 0.00 0.00 0.00 0.00 60.65 59.41 3bg5 s ILE 490 Cb 0.02 -2.19 -0.09 0.00 0.01 0.00 0.00 42.46 40.21 3bg5 s ILE 490 CO 0.05 0.06 1.01 -1.10 0.00 0.00 0.00 174.94 174.95 3bg5 s GLN 491 N 1.14 4.26 0.23 2.79 1.11 -1.26 -5.00 119.66 122.93 3bg5 s GLN 491 Ca -0.07 1.40 -0.32 0.00 0.01 0.00 0.00 55.36 56.39 3bg5 s GLN 491 Cb -0.19 -2.53 -0.13 0.00 -1.01 0.00 0.00 33.01 29.16 3bg5 s GLN 491 CO -0.06 -0.04 1.59 -0.35 0.01 0.00 0.00 175.29 176.44 3bg5 n PRO 492 N -0.05 2.48 -2.08 2.91 -0.04 -1.26 -4.84 135.00 132.13 3bg5 n PRO 492 Ca 0.05 0.89 -0.28 0.00 -0.04 0.00 0.00 63.50 64.12 3bg5 n PRO 492 Cb 0.51 -2.66 -0.05 0.00 -0.04 0.00 0.00 33.50 31.26 3bg5 n PRO 492 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3bg5 s SER 493 N 0.72 5.23 0.07 3.54 0.15 -1.26 -4.93 113.70 117.22 3bg5 s SER 493 Ca 0.71 -0.68 -0.37 0.00 0.70 0.00 0.00 55.95 56.31 3bg5 s SER 493 Cb -0.57 -2.56 -0.16 0.00 -1.71 0.00 0.00 66.02 61.02 3bg5 s SER 493 CO 0.42 -2.66 1.39 0.00 1.20 0.00 0.00 173.24 173.60 3bg5 n LEU 494 N 13.62 1.85 -3.40 3.45 -0.00 -1.26 -4.96 117.00 126.30 3bg5 n LEU 494 Ca 0.39 1.11 -0.27 0.00 -0.00 0.00 0.00 56.01 57.24 3bg5 n LEU 494 Cb 0.47 -1.21 -0.10 0.00 -0.00 0.00 0.00 43.42 42.58 3bg5 n LEU 494 CO 0.61 -0.93 -0.30 -0.62 -0.00 0.00 0.00 177.39 176.15 3bg5 s ASP 495 N 0.75 1.89 -0.00 1.45 2.15 -1.26 -5.00 116.67 116.64 3bg5 s ASP 495 Ca 0.85 -2.65 -0.21 0.00 0.43 0.00 0.00 52.55 50.97 3bg5 s ASP 495 Cb -0.93 -0.32 -0.22 0.00 -0.30 0.00 0.00 42.92 41.15 3bg5 s ASP 495 CO 0.47 -0.22 1.12 0.03 -0.17 0.00 0.00 175.17 176.40 3bg5 h ARG 496 N 6.18 0.36 -0.41 4.34 -0.00 -2.00 -3.32 114.38 119.54 3bg5 h ARG 496 Ca 0.18 -0.35 0.03 0.00 -0.50 0.00 0.00 59.98 59.34 3bg5 h ARG 496 Cb 0.94 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.97 3bg5 h ARG 496 CO 0.31 1.02 0.21 0.78 0.00 0.00 0.00 179.97 182.29 3bg5 h GLY 497 N -0.16 0.57 0.84 0.04 0.00 -1.99 -2.63 103.07 99.73 3bg5 h GLY 497 Ca -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 3bg5 h GLY 497 CO 0.09 0.10 0.04 -0.84 0.00 0.00 0.00 176.54 175.93 3bg5 h THR 498 N 0.42 1.21 -0.99 4.70 2.02 -2.01 -3.06 112.91 115.20 3bg5 h THR 498 Ca 0.18 -0.69 0.15 0.00 0.77 0.00 0.00 66.41 66.81 3bg5 h THR 498 Cb 0.08 1.32 -0.09 0.00 -1.74 0.00 0.00 68.15 67.72 3bg5 h THR 498 CO -0.12 0.21 0.61 0.11 0.37 0.00 0.00 175.52 176.70 3bg5 h LYS 499 N 0.10 0.86 -0.58 6.66 1.57 -1.60 -1.47 116.57 122.10 3bg5 h LYS 499 Ca 0.06 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3bg5 h LYS 499 Cb 0.29 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3bg5 h LYS 499 CO 0.00 0.57 0.01 1.15 -0.57 0.00 0.00 179.45 180.61 3bg5 h THR 500 N 0.88 1.26 0.00 -0.16 2.02 -1.39 -1.94 112.91 113.59 3bg5 h THR 500 Ca 0.52 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 3bg5 h THR 500 Cb 0.65 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3bg5 h THR 500 CO -0.32 0.40 -0.20 -0.07 0.37 0.00 0.00 175.52 175.70 3bg5 h LEU 501 N 0.92 0.00 -0.34 2.58 3.38 -1.20 -2.26 115.31 118.40 3bg5 h LEU 501 Ca 0.17 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 3bg5 h LEU 501 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3bg5 h LEU 501 CO 0.03 0.20 -0.18 -0.33 0.09 0.00 0.00 178.44 178.25 3bg5 h GLU 502 N 0.00 0.72 0.42 1.13 4.39 -0.73 -0.24 114.58 120.27 3bg5 h GLU 502 Ca -0.00 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 3bg5 h GLU 502 Cb 0.38 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3bg5 h GLU 502 CO 0.03 0.93 -0.20 -0.92 -1.16 0.00 0.00 179.01 177.68 3bg5 h TYR 503 N 0.50 -0.52 -0.90 4.33 5.03 -1.19 0.03 116.97 124.25 3bg5 h TYR 503 Ca 0.07 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.43 3bg5 h TYR 503 Cb 0.72 0.17 -0.06 0.00 1.55 0.00 0.00 36.73 39.11 3bg5 h TYR 503 CO 0.06 -0.23 0.57 0.82 -1.32 0.00 0.00 178.16 178.06 3bg5 h ILE 504 N -0.76 1.07 -1.00 1.81 2.04 -1.46 0.47 117.51 119.68 3bg5 h ILE 504 Ca -0.06 -0.36 0.08 0.00 1.00 0.00 0.00 64.86 65.52 3bg5 h ILE 504 Cb 0.53 -0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 3bg5 h ILE 504 CO 0.09 0.19 0.64 1.23 0.00 0.00 0.00 178.15 180.31 3bg5 h GLY 505 N 1.04 1.53 0.29 5.37 0.00 -0.84 -0.61 103.07 109.87 3bg5 h GLY 505 Ca 0.38 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3bg5 h GLY 505 CO -0.16 0.29 -0.01 -0.57 0.00 0.00 0.00 176.54 176.09 3bg5 h ASN 506 N 1.12 -0.01 -0.13 0.19 -0.00 0.11 -2.90 115.58 113.95 3bg5 h ASN 506 Ca 0.44 -0.68 -0.06 0.00 -0.00 0.00 0.00 56.30 56.01 3bg5 h ASN 506 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.55 3bg5 h ASN 506 CO -0.19 0.68 -0.09 0.58 -0.00 0.00 0.00 177.43 178.41 3bg5 h VAL 507 N -0.72 1.21 -0.56 2.57 2.07 -1.02 0.25 116.25 120.05 3bg5 h VAL 507 Ca -0.00 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3bg5 h VAL 507 Cb 0.69 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3bg5 h VAL 507 CO 0.00 0.30 0.12 0.74 0.02 0.00 0.00 177.57 178.75 3bg5 h THR 508 N 0.43 1.25 0.14 2.57 2.02 -1.17 -1.26 112.91 116.90 3bg5 h THR 508 Ca 0.09 -0.92 -0.36 0.00 0.77 0.00 0.00 66.41 65.99 3bg5 h THR 508 Cb 0.42 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3bg5 h THR 508 CO 0.02 0.34 -1.91 0.40 0.37 0.00 0.00 175.52 174.74 3bg5 h ILE 509 N 0.80 0.72 -0.01 3.11 2.04 -1.29 -3.41 117.51 119.47 3bg5 h ILE 509 Ca 0.17 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.64 3bg5 h ILE 509 Cb 0.37 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.04 3bg5 h ILE 509 CO 0.01 0.88 -0.02 0.59 0.00 0.00 0.00 178.15 179.61 3bg5 n ASN 510 N -3.53 1.69 -0.19 1.72 3.02 0.87 -4.84 115.26 114.01 3bg5 n ASN 510 Ca -0.30 -1.34 0.02 0.00 -0.03 0.00 0.00 54.58 52.93 3bg5 n ASN 510 Cb 1.05 0.06 -0.01 0.00 -0.61 0.00 0.00 39.78 40.27 3bg5 n ASN 510 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg5 n GLY 511 N 0.55 -2.17 3.33 7.41 0.00 -0.47 -4.95 105.19 108.88 3bg5 n GLY 511 Ca 0.05 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 3bg5 n GLY 511 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3bg5 s PHE 512 N -0.95 2.30 -0.45 1.61 5.36 -1.26 -4.50 117.98 120.09 3bg5 s PHE 512 Ca 0.00 -0.42 -0.45 0.00 -0.96 0.00 0.00 56.93 55.10 3bg5 s PHE 512 Cb 0.00 -1.42 -0.19 0.00 -0.34 0.00 0.00 43.02 41.08 3bg5 s PHE 512 CO 0.00 0.06 1.75 -2.30 -1.46 0.00 0.00 175.22 173.26 3bg5 n PRO 513 N 2.05 0.28 -4.43 10.12 -0.02 -1.26 -2.30 135.00 139.44 3bg5 n PRO 513 Ca -0.17 0.10 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 3bg5 n PRO 513 Cb 0.52 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 32.26 3bg5 n PRO 513 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3bg5 n ASN 515 N 5.11 -1.31 -4.25 2.55 0.23 -1.26 -4.97 115.26 111.37 3bg5 n ASN 515 Ca 0.35 -1.22 -0.33 0.00 -0.53 0.00 0.00 54.58 52.85 3bg5 n ASN 515 Cb -0.01 -1.80 -0.16 0.00 -2.08 0.00 0.00 39.78 35.74 3bg5 n ASN 515 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 3bg5 s VAL 516 N -3.55 2.53 -0.46 3.53 1.01 -0.97 -4.96 120.40 117.53 3bg5 s VAL 516 Ca 0.60 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.48 3bg5 s VAL 516 Cb -0.35 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 3bg5 s VAL 516 CO 1.00 0.52 2.37 1.21 0.00 0.00 0.00 175.10 180.21 3bg5 n GLU 517 N 4.01 1.15 -1.56 2.72 2.13 -1.26 -4.57 120.64 123.26 3bg5 n GLU 517 Ca -0.19 0.16 -0.54 0.00 0.66 0.00 0.00 57.16 57.24 3bg5 n GLU 517 Cb 0.52 -3.07 -0.07 0.00 0.27 0.00 0.00 31.44 29.09 3bg5 n GLU 517 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3bg5 n LYS 518 N 8.79 1.08 -3.84 5.31 3.00 -1.26 -4.90 118.16 126.34 3bg5 n LYS 518 Ca 0.39 0.36 -0.07 0.00 -0.00 0.00 0.00 58.31 58.99 3bg5 n LYS 518 Cb 0.43 -2.22 -0.01 0.00 0.00 0.00 0.00 35.03 33.22 3bg5 n LYS 518 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3bg5 s ARG 519 N 4.89 1.75 0.32 1.64 1.70 -1.26 -5.14 118.95 122.84 3bg5 s ARG 519 Ca 1.05 -0.99 -0.28 0.00 -0.47 0.00 0.00 55.73 55.04 3bg5 s ARG 519 Cb -1.00 0.58 -0.13 0.00 -0.57 0.00 0.00 34.95 33.83 3bg5 s ARG 519 CO 0.58 -0.80 1.19 -2.30 -1.08 0.00 0.00 175.30 172.89 3bg5 n PRO 520 N -0.47 1.84 -1.59 3.89 -0.02 -1.26 -4.86 135.00 132.53 3bg5 n PRO 520 Ca -0.05 0.65 -0.53 0.00 -2.02 0.00 0.00 63.50 61.55 3bg5 n PRO 520 Cb 0.59 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.86 3bg5 n PRO 520 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3bg5 n LYS 521 N 0.61 1.30 -1.57 -0.52 4.81 -1.26 -4.86 118.16 116.67 3bg5 n LYS 521 Ca 0.06 0.43 -0.34 0.00 -0.87 0.00 0.00 58.31 57.60 3bg5 n LYS 521 Cb 0.35 -2.35 0.08 0.00 0.02 0.00 0.00 35.03 33.12 3bg5 n LYS 521 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3bg5 s PRO 522 N 4.84 2.37 0.08 1.64 0.02 -1.26 -4.94 135.00 137.75 3bg5 s PRO 522 Ca 1.02 1.70 -0.31 0.00 0.02 0.00 0.00 61.00 63.44 3bg5 s PRO 522 Cb -0.92 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 31.67 3bg5 s PRO 522 CO 0.56 -1.64 1.38 0.34 -0.33 0.00 0.00 177.00 177.31 3bg5 s ASP 523 N -2.07 6.85 -0.06 2.53 -1.08 -1.26 -5.02 116.67 116.55 3bg5 s ASP 523 Ca 0.73 2.24 0.06 0.00 -0.52 0.00 0.00 52.55 55.07 3bg5 s ASP 523 Cb -0.28 -2.58 -0.01 0.00 -1.46 0.00 0.00 42.92 38.59 3bg5 s ASP 523 CO 0.43 -0.66 -0.25 -0.31 0.52 0.00 0.00 175.17 174.91 3bg5 s TYR 524 N 1.47 2.46 0.26 -5.34 1.51 -1.26 -5.11 117.35 111.34 3bg5 s TYR 524 Ca 0.64 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 55.67 3bg5 s TYR 524 Cb -0.35 -1.61 -0.10 0.00 -0.11 0.00 0.00 41.96 39.80 3bg5 s TYR 524 CO 0.29 -0.22 1.29 -2.00 -1.11 0.00 0.00 175.55 173.80 3bg5 s GLU 525 N -0.13 4.40 0.35 -0.62 2.12 -1.26 -4.95 118.70 118.62 3bg5 s GLU 525 Ca -0.04 2.10 -0.28 0.00 0.36 0.00 0.00 54.97 57.11 3bg5 s GLU 525 Cb -0.14 -3.14 -0.12 0.00 0.26 0.00 0.00 34.13 30.99 3bg5 s GLU 525 CO 0.04 -0.18 1.36 -0.11 -0.54 0.00 0.00 175.26 175.83 3bg5 n LEU 526 N 1.76 4.00 -4.54 2.70 -0.00 -1.26 -4.98 117.00 114.68 3bg5 n LEU 526 Ca 0.03 1.22 -0.35 0.00 -0.00 0.00 0.00 56.01 56.91 3bg5 n LEU 526 Cb 0.42 -1.53 -0.11 0.00 -0.00 0.00 0.00 43.42 42.20 3bg5 n LEU 526 CO 0.58 -0.25 -0.30 0.00 -0.00 0.00 0.00 177.39 177.43 3bg5 s ALA 527 N -1.10 3.19 -0.42 1.96 0.00 -1.26 -5.07 121.76 119.06 3bg5 s ALA 527 Ca 0.55 -0.85 -0.19 0.00 0.00 0.00 0.00 51.96 51.46 3bg5 s ALA 527 Cb -0.53 -1.80 0.02 0.00 0.00 0.00 0.00 23.12 20.80 3bg5 s ALA 527 CO 0.63 0.06 0.56 -1.54 0.00 0.00 0.00 175.76 175.47 3bg5 s SER 528 N 0.62 6.28 -0.40 0.00 1.04 -1.26 -5.03 113.70 114.94 3bg5 s SER 528 Ca 0.01 -0.42 -0.17 0.00 0.48 0.00 0.00 55.95 55.85 3bg5 s SER 528 Cb -0.14 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.71 3bg5 s SER 528 CO 0.02 -0.69 0.43 -0.63 0.98 0.00 0.00 173.24 173.35 3bg5 s ILE 529 N 2.55 5.10 0.46 -1.02 1.01 -1.26 -4.82 121.20 123.22 3bg5 s ILE 529 Ca 0.19 -0.24 -0.22 0.00 0.00 0.00 0.00 60.65 60.38 3bg5 s ILE 529 Cb -0.15 -3.99 -0.07 0.00 0.01 0.00 0.00 42.46 38.25 3bg5 s ILE 529 CO 0.17 -0.35 1.14 -2.84 0.00 0.00 0.00 174.94 173.06 3bg5 s PRO 530 N 2.12 3.76 0.03 2.79 0.02 -1.26 -5.03 135.00 137.43 3bg5 s PRO 530 Ca 0.12 1.69 0.04 0.00 0.02 0.00 0.00 61.00 62.88 3bg5 s PRO 530 Cb -0.17 -2.35 -0.02 0.00 0.02 0.00 0.00 34.50 31.98 3bg5 s PRO 530 CO 0.13 -0.53 -0.13 0.99 -0.33 0.00 0.00 177.00 177.13 3bg5 s THR 531 N -1.62 1.02 -0.03 0.99 2.01 -1.26 -4.33 115.64 112.42 3bg5 s THR 531 Ca 0.64 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.79 3bg5 s THR 531 Cb -0.26 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 3bg5 s THR 531 CO 0.32 0.02 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.40 3bg5 s VAL 532 N -0.77 1.45 0.33 3.82 1.01 -1.26 -4.87 120.40 120.10 3bg5 s VAL 532 Ca 0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.96 3bg5 s VAL 532 Cb -0.07 -1.23 -0.12 0.00 0.00 0.00 0.00 36.38 34.96 3bg5 s VAL 532 CO 0.01 0.41 1.51 -0.24 0.00 0.00 0.00 175.10 176.80 3bg5 n SER 533 N 2.98 3.65 -0.21 3.32 2.88 -1.26 -4.83 113.62 120.16 3bg5 n SER 533 Ca -0.17 1.18 0.01 0.00 -1.33 0.00 0.00 58.87 58.57 3bg5 n SER 533 Cb 0.53 -1.58 0.11 0.00 -0.75 0.00 0.00 64.21 62.52 3bg5 n SER 533 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3bg5 h SER 534 N 3.85 -0.21 -0.55 -3.46 0.02 -1.99 -1.79 113.55 109.41 3bg5 h SER 534 Ca -0.48 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 60.68 3bg5 h SER 534 Cb 1.24 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.97 3bg5 h SER 534 CO 0.72 -0.09 0.25 0.28 -1.14 0.00 0.00 176.83 176.85 3bg5 h SER 535 N 0.15 0.33 -0.39 3.07 0.02 -1.98 0.46 113.55 115.21 3bg5 h SER 535 Ca 0.33 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 3bg5 h SER 535 Cb 0.53 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3bg5 h SER 535 CO -0.51 0.22 0.24 0.50 -1.14 0.00 0.00 176.83 176.14 3bg5 h LYS 536 N 0.48 0.52 -0.83 3.45 3.64 -1.75 -0.91 116.57 121.17 3bg5 h LYS 536 Ca 0.26 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.63 3bg5 h LYS 536 Cb 0.22 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 3bg5 h LYS 536 CO -0.21 0.38 0.53 0.82 -2.27 0.00 0.00 179.45 178.70 3bg5 h ILE 537 N 0.51 1.12 0.00 2.00 1.08 -0.64 -2.60 117.51 118.98 3bg5 h ILE 537 Ca 0.14 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3bg5 h ILE 537 Cb -0.01 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 33.74 3bg5 h ILE 537 CO -0.03 0.19 -0.07 0.00 -0.69 0.00 0.00 178.15 177.55 3bg5 h ALA 538 N 1.35 1.13 0.00 1.87 0.00 0.10 -1.80 119.26 121.92 3bg5 h ALA 538 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3bg5 h ALA 538 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3bg5 h ALA 538 CO -0.12 0.09 -0.33 0.66 0.00 0.00 0.00 179.25 179.54 3bg5 h SER 538 N 0.00 0.00 -3.89 0.00 4.64 -0.82 -3.47 113.55 110.01 3bg5 h SER 538 Ca -0.00 -0.06 -0.51 0.00 -0.47 0.00 0.00 61.79 60.74 3bg5 h SER 538 Cb 0.33 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.47 3bg5 h SER 538 CO 0.01 0.03 0.55 -0.36 -0.87 0.00 0.00 176.83 176.19 3bg5 s PHE 538 N -3.19 3.18 -0.31 4.77 2.99 -0.68 -5.02 117.98 119.72 3bg5 s PHE 538 Ca 0.07 1.54 0.00 0.00 0.00 0.00 0.00 56.93 58.54 3bg5 s PHE 538 Cb 0.10 -3.48 0.10 0.00 0.00 0.00 0.00 43.02 39.75 3bg5 s PHE 538 CO 0.68 -1.34 0.08 0.45 -0.00 0.00 0.00 175.22 175.09 3bg5 s SER 539 N -0.83 4.13 0.00 1.36 0.15 -1.26 -4.82 113.70 112.43 3bg5 s SER 539 Ca 0.51 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.46 3bg5 s SER 539 Cb -0.34 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 3bg5 s SER 539 CO 0.45 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 175.09 3bg5 n GLY 540 N 4.74 3.91 0.20 9.45 0.00 -1.23 -4.96 105.19 117.30 3bg5 n GLY 540 Ca -0.01 -1.81 0.08 0.00 0.00 0.00 0.00 46.02 44.28 3bg5 n GLY 540 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3bg5 h THR 541 N 0.00 0.73 -0.21 2.61 1.35 -1.68 -1.66 112.91 114.03 3bg5 h THR 541 Ca 0.00 -1.33 -0.03 0.00 -0.55 0.00 0.00 66.41 64.50 3bg5 h THR 541 Cb 0.00 1.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3bg5 h THR 541 CO 0.00 0.30 0.00 0.50 -0.25 0.00 0.00 175.52 176.07 3bg5 h LYS 542 N 0.00 0.38 -0.35 4.72 3.11 -1.46 -0.58 116.57 122.38 3bg5 h LYS 542 Ca -0.00 -0.12 -0.05 0.00 -2.81 0.00 0.00 60.65 57.67 3bg5 h LYS 542 Cb 0.82 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.00 3bg5 h LYS 542 CO 0.04 0.56 0.00 1.96 -2.81 0.00 0.00 179.45 179.21 3bg5 h GLN 543 N 0.14 0.54 0.02 1.90 1.08 -1.68 -1.82 115.11 115.29 3bg5 h GLN 543 Ca 0.06 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3bg5 h GLN 543 Cb 0.39 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3bg5 h GLN 543 CO 0.01 0.57 -0.06 1.25 -0.95 0.00 0.00 178.83 179.65 3bg5 h LEU 544 N 0.52 -0.16 -0.14 1.46 5.85 -1.02 -0.68 115.31 121.14 3bg5 h LEU 544 Ca 0.11 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3bg5 h LEU 544 Cb 0.33 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 3bg5 h LEU 544 CO 0.01 -0.09 -0.15 0.25 -0.34 0.00 0.00 178.44 178.12 3bg5 h LEU 545 N -0.11 -0.46 -2.26 2.25 5.85 -0.44 0.47 115.31 120.60 3bg5 h LEU 545 Ca 0.02 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3bg5 h LEU 545 Cb 0.13 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3bg5 h LEU 545 CO -0.05 -0.19 -0.03 0.44 -0.34 0.00 0.00 178.44 178.27 3bg5 h ASP 546 N -0.18 0.00 0.03 1.25 3.32 -1.26 0.13 116.42 119.71 3bg5 h ASP 546 Ca 0.10 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3bg5 h ASP 546 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3bg5 h ASP 546 CO -0.25 0.03 -0.01 -0.33 -1.72 0.00 0.00 179.24 176.96 3bg5 h GLU 547 N 0.00 -0.04 0.00 3.56 4.39 0.61 -3.42 114.58 119.68 3bg5 h GLU 547 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3bg5 h GLU 547 Cb 0.08 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3bg5 h GLU 547 CO 0.00 0.67 -0.97 1.33 -1.16 0.00 0.00 179.01 178.88 3bg5 n VAL 548 N -4.73 0.00 0.00 3.13 0.24 -0.08 -5.09 118.33 111.80 3bg5 n VAL 548 Ca -0.08 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3bg5 n VAL 548 Cb 0.35 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.24 3bg5 n VAL 548 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bg5 n GLY 549 N 2.40 -0.04 0.28 7.63 0.00 0.46 -4.08 105.19 111.84 3bg5 n GLY 549 Ca -0.00 -1.83 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 3bg5 n GLY 549 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bg5 h PRO 550 N 0.00 0.81 -0.21 1.61 0.13 -1.81 -0.96 132.00 131.57 3bg5 h PRO 550 Ca 0.00 -0.05 0.05 0.00 -0.87 0.00 0.00 66.00 65.14 3bg5 h PRO 550 Cb 0.00 -0.18 -0.06 0.00 0.13 0.00 0.00 31.00 30.89 3bg5 h PRO 550 CO 0.00 0.54 -0.17 0.87 -0.23 0.00 0.00 178.00 179.01 3bg5 h LYS 551 N 0.84 -0.17 -0.50 0.86 1.79 -1.95 -2.61 116.57 114.84 3bg5 h LYS 551 Ca 0.30 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.78 3bg5 h LYS 551 Cb 0.09 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3bg5 h LYS 551 CO -0.14 -0.11 0.28 0.78 -1.08 0.00 0.00 179.45 179.18 3bg5 h GLY 552 N -0.17 0.74 0.67 3.86 0.00 -1.49 -2.63 103.07 104.04 3bg5 h GLY 552 Ca 0.12 -0.33 0.08 0.00 0.00 0.00 0.00 47.33 47.20 3bg5 h GLY 552 CO -0.31 0.32 0.64 -2.08 0.00 0.00 0.00 176.54 175.10 3bg5 h VAL 553 N 0.67 1.04 -0.71 4.60 2.07 -1.03 -0.18 116.25 122.72 3bg5 h VAL 553 Ca 0.18 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3bg5 h VAL 553 Cb 0.03 -0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 29.60 3bg5 h VAL 553 CO -0.03 0.20 0.30 0.00 0.02 0.00 0.00 177.57 178.06 3bg5 h ALA 554 N 1.47 0.91 -0.63 1.67 0.00 -1.19 -2.25 119.26 119.24 3bg5 h ALA 554 Ca 0.45 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3bg5 h ALA 554 Cb 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3bg5 h ALA 554 CO -0.20 0.52 0.20 0.93 0.00 0.00 0.00 179.25 180.70 3bg5 h GLU 555 N 1.00 0.99 -0.51 0.00 4.39 -0.93 -2.94 114.58 116.58 3bg5 h GLU 555 Ca 0.24 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3bg5 h GLU 555 Cb 0.19 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3bg5 h GLU 555 CO -0.02 0.87 0.11 2.35 -1.16 0.00 0.00 179.01 181.15 3bg5 h TRP 556 N 0.91 0.80 -0.38 4.33 7.01 -0.87 -2.73 115.95 125.02 3bg5 h TRP 556 Ca 0.20 -0.08 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 3bg5 h TRP 556 Cb 0.29 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 3bg5 h TRP 556 CO 0.02 0.69 0.04 0.28 -2.79 0.00 0.00 178.44 176.68 3bg5 h VAL 557 N 0.75 1.20 -0.38 2.65 2.07 -1.24 -3.03 116.25 118.28 3bg5 h VAL 557 Ca 0.16 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3bg5 h VAL 557 Cb 0.30 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3bg5 h VAL 557 CO 0.00 0.27 -0.12 0.11 0.02 0.00 0.00 177.57 177.85 3bg5 h LYS 558 N 0.57 0.75 0.00 1.57 1.57 -1.38 -3.00 116.57 116.64 3bg5 h LYS 558 Ca 0.12 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3bg5 h LYS 558 Cb 0.31 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3bg5 h LYS 558 CO 0.01 0.90 -0.08 0.87 -0.57 0.00 0.00 179.45 180.58 3bg5 h LYS 559 N 0.55 0.00 -6.25 3.15 6.56 -1.46 -3.43 116.57 115.70 3bg5 h LYS 559 Ca 0.09 0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.13 3bg5 h LYS 559 Cb 0.64 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 3bg5 h LYS 559 CO 0.04 0.08 1.08 -0.65 -2.06 0.00 0.00 179.45 177.94 3bg5 s GLN 560 N -4.88 4.09 0.02 3.15 -1.52 -1.14 -4.90 119.66 114.48 3bg5 s GLN 560 Ca -0.05 2.00 -0.09 0.00 -1.95 0.00 0.00 55.36 55.28 3bg5 s GLN 560 Cb 0.16 -3.97 -0.31 0.00 -0.22 0.00 0.00 33.01 28.67 3bg5 s GLN 560 CO 0.68 -0.94 0.95 0.22 -0.25 0.00 0.00 175.29 175.95 3bg5 h ASP 561 N 9.69 0.59 -3.40 5.90 -0.00 -1.87 -3.46 116.42 123.87 3bg5 h ASP 561 Ca -0.36 -0.71 -0.52 0.00 -0.00 0.00 0.00 57.03 55.44 3bg5 h ASP 561 Cb 1.16 -0.19 0.22 0.00 -0.00 0.00 0.00 39.33 40.51 3bg5 h ASP 561 CO 0.97 1.57 -0.48 0.47 -0.00 0.00 0.00 179.24 181.76 3bg5 n ASP 562 N -3.59 -1.70 -4.73 2.28 8.00 -1.26 -4.85 116.55 110.71 3bg5 n ASP 562 Ca -0.16 0.26 -0.40 0.00 0.71 0.00 0.00 54.79 55.20 3bg5 n ASP 562 Cb 1.07 -1.22 -0.04 0.00 -0.02 0.00 0.00 41.12 40.90 3bg5 n ASP 562 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3bg5 s VAL 563 N -2.42 4.89 -0.01 2.53 1.01 -0.72 -4.95 120.40 120.74 3bg5 s VAL 563 Ca 0.59 1.64 -0.11 0.00 0.00 0.00 0.00 61.98 64.10 3bg5 s VAL 563 Cb -0.20 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3bg5 s VAL 563 CO 0.66 0.27 0.34 -0.76 0.00 0.00 0.00 175.10 175.60 3bg5 s LEU 564 N 0.53 4.42 -0.04 3.92 1.43 -0.73 -1.87 118.68 126.34 3bg5 s LEU 564 Ca 0.41 0.78 0.04 0.00 -1.03 0.00 0.00 54.13 54.33 3bg5 s LEU 564 Cb -0.19 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 3bg5 s LEU 564 CO 0.22 0.30 -0.14 -0.22 0.23 0.00 0.00 176.35 176.74 3bg5 s LEU 565 N -1.32 2.74 -0.22 1.79 0.20 -1.26 -1.05 118.68 119.56 3bg5 s LEU 565 Ca 0.24 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.87 3bg5 s LEU 565 Cb -0.15 -1.56 0.05 0.00 -0.43 0.00 0.00 46.19 44.10 3bg5 s LEU 565 CO 0.13 0.34 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.55 3bg5 s THR 566 N -0.75 1.68 0.29 3.68 2.01 0.22 -1.20 115.64 121.58 3bg5 s THR 566 Ca 0.12 -1.19 -0.28 0.00 0.31 0.00 0.00 61.69 60.64 3bg5 s THR 566 Cb -0.11 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.47 3bg5 s THR 566 CO 0.01 0.03 1.03 -0.62 -0.69 0.00 0.00 174.62 174.38 3bg5 s ASP 567 N 1.35 7.29 -0.06 3.53 2.15 -1.11 -1.50 116.67 128.31 3bg5 s ASP 567 Ca -0.04 2.09 0.09 0.00 0.43 0.00 0.00 52.55 55.12 3bg5 s ASP 567 Cb -0.18 -2.61 0.14 0.00 -0.30 0.00 0.00 42.92 39.98 3bg5 s ASP 567 CO -0.07 -0.11 1.04 0.35 -0.17 0.00 0.00 175.17 176.21 3bg5 n THR 568 N 0.98 1.28 -0.24 1.71 -2.24 -0.54 -0.68 114.28 114.55 3bg5 n THR 568 Ca 0.00 -1.47 0.01 0.00 -2.27 0.00 0.00 64.05 60.32 3bg5 n THR 568 Cb 0.47 0.17 0.24 0.00 -2.10 0.00 0.00 70.33 69.11 3bg5 n THR 568 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3bg5 h THR 569 N 0.84 1.17 0.00 4.28 2.02 -1.81 -0.27 112.91 119.13 3bg5 h THR 569 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3bg5 h THR 569 Cb 0.86 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3bg5 h THR 569 CO 0.00 0.19 0.00 0.49 0.37 0.00 0.00 175.52 176.57 3bg5 n PHE 570 N -4.43 0.14 0.00 3.16 3.72 -1.26 -4.20 117.46 114.58 3bg5 n PHE 570 Ca 0.09 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 3bg5 n PHE 570 Cb 0.07 -0.57 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 3bg5 n PHE 570 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3bg5 n ARG 571 N -1.61 0.00 0.16 -1.08 0.00 -0.91 -4.71 116.66 108.50 3bg5 n ARG 571 Ca 0.07 0.00 0.04 0.00 -0.00 0.00 0.00 57.85 57.95 3bg5 n ARG 571 Cb 0.34 0.00 0.12 0.00 0.00 0.00 0.00 32.46 32.92 3bg5 n ARG 571 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 3bg5 h ASP 572 N 0.00 0.00 -0.14 6.15 -0.00 -1.61 -1.93 116.42 118.89 3bg5 h ASP 572 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.02 3bg5 h ASP 572 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.32 3bg5 h ASP 572 CO 0.00 0.46 0.06 0.00 -0.00 0.00 0.00 179.24 179.76 3bg5 h ALA 573 N 1.54 0.19 0.00 -0.78 0.00 -1.30 -1.19 119.26 117.72 3bg5 h ALA 573 Ca -0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 3bg5 h ALA 573 Cb 1.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3bg5 h ALA 573 CO 0.06 -0.24 -0.36 1.12 0.00 0.00 0.00 179.25 179.83 3bg5 h HIS 574 N 0.09 0.00 -0.31 0.00 2.07 -1.71 -1.36 115.15 113.93 3bg5 h HIS 574 Ca 0.05 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.52 3bg5 h HIS 574 Cb 0.15 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.11 3bg5 h HIS 574 CO -0.02 0.32 -0.03 0.37 -3.07 0.00 0.00 177.93 175.50 3bg5 h GLN 575 N 0.00 0.48 0.20 5.12 4.15 -1.25 0.67 115.11 124.48 3bg5 h GLN 575 Ca -0.01 -0.11 -0.31 0.00 0.77 0.00 0.00 58.65 58.99 3bg5 h GLN 575 Cb 1.25 -0.07 0.03 0.00 0.21 0.00 0.00 27.48 28.90 3bg5 h GLN 575 CO 0.04 0.53 -1.38 0.77 -1.93 0.00 0.00 178.83 176.87 3bg5 h SER 576 N 0.46 0.71 0.02 -0.69 0.02 -0.99 -3.36 113.55 109.72 3bg5 h SER 576 Ca 0.10 -0.75 -0.38 0.00 -0.84 0.00 0.00 61.79 59.92 3bg5 h SER 576 Cb 0.35 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.60 3bg5 h SER 576 CO 0.01 1.58 -2.40 0.18 -1.14 0.00 0.00 176.83 175.06 3bg5 n LEU 577 N -3.67 2.58 -1.43 5.07 4.77 -0.53 -4.01 117.00 119.78 3bg5 n LEU 577 Ca -0.14 -0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 55.70 3bg5 n LEU 577 Cb 1.06 -0.76 0.10 0.00 -2.33 0.00 0.00 43.42 41.50 3bg5 n LEU 577 CO 0.58 0.87 0.23 0.18 -1.33 0.00 0.00 177.39 177.93 3bg5 n LEU 578 N -3.22 3.38 -4.34 2.23 4.77 0.09 -3.49 117.00 116.42 3bg5 n LEU 578 Ca -0.42 -4.03 -0.39 0.00 -0.03 0.00 0.00 56.01 51.14 3bg5 n LEU 578 Cb 1.02 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 3bg5 n LEU 578 CO 0.30 1.59 -0.08 0.00 -1.33 0.00 0.00 177.39 177.88 3bg5 n ALA 579 N -0.78 -1.23 -1.14 -1.18 0.00 -1.17 -1.74 120.51 113.27 3bg5 n ALA 579 Ca 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.58 3bg5 n ALA 579 Cb 0.85 -3.13 -0.02 0.00 0.00 0.00 0.00 19.45 17.15 3bg5 n ALA 579 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3bg5 n THR 580 N -4.25 0.00 1.80 0.00 -1.04 -0.37 -4.88 114.28 105.55 3bg5 n THR 580 Ca 0.10 0.00 0.15 0.00 -2.04 0.00 0.00 64.05 62.26 3bg5 n THR 580 Cb 0.47 -1.05 0.79 0.00 -1.82 0.00 0.00 70.33 68.73 3bg5 n THR 580 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3bg5 n ARG 581 N -0.65 1.19 -1.73 -2.82 5.12 -0.71 -4.87 116.66 112.20 3bg5 n ARG 581 Ca -0.05 -0.33 -0.42 0.00 -1.93 0.00 0.00 57.85 55.13 3bg5 n ARG 581 Cb 0.44 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.21 3bg5 n ARG 581 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3bg5 s VAL 582 N -2.03 3.00 0.58 1.55 1.01 -1.26 -4.96 120.40 118.29 3bg5 s VAL 582 Ca 0.44 0.13 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 3bg5 s VAL 582 Cb 0.22 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3bg5 s VAL 582 CO 0.37 -0.01 0.95 -0.13 0.00 0.00 0.00 175.10 176.28 3bg5 s ARG 583 N 4.04 3.56 0.14 2.72 0.52 -1.26 -5.00 118.95 123.66 3bg5 s ARG 583 Ca 0.85 0.56 -0.22 0.00 -0.52 0.00 0.00 55.73 56.39 3bg5 s ARG 583 Cb -0.42 -2.18 0.01 0.00 0.52 0.00 0.00 34.95 32.88 3bg5 s ARG 583 CO 0.39 -0.46 1.65 1.15 0.02 0.00 0.00 175.30 178.05 3bg5 h THR 584 N -0.15 0.52 -0.99 0.02 2.02 -1.93 -2.84 112.91 109.56 3bg5 h THR 584 Ca -0.45 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.02 3bg5 h THR 584 Cb 1.20 0.52 -0.18 0.00 -1.74 0.00 0.00 68.15 67.94 3bg5 h THR 584 CO 0.62 0.00 0.08 0.50 0.37 0.00 0.00 175.52 177.09 3bg5 h LYS 585 N -0.20 0.01 0.00 6.66 1.63 -1.89 0.45 116.57 123.23 3bg5 h LYS 585 Ca 0.12 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.80 3bg5 h LYS 585 Cb 0.37 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3bg5 h LYS 585 CO -0.31 0.01 -0.54 -0.44 -3.45 0.00 0.00 179.45 174.72 3bg5 h ASP 586 N 0.01 0.00 0.10 4.20 3.45 -1.86 -1.45 116.42 120.87 3bg5 h ASP 586 Ca 0.62 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.92 3bg5 h ASP 586 Cb 1.33 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 40.12 3bg5 h ASP 586 CO -0.91 0.54 -0.70 0.24 -1.57 0.00 0.00 179.24 176.84 3bg5 h MET 587 N 0.00 0.30 0.00 3.56 2.86 -0.25 -3.31 114.93 118.09 3bg5 h MET 587 Ca -0.01 -0.45 -0.02 0.00 -2.06 0.00 0.00 59.70 57.16 3bg5 h MET 587 Cb 1.03 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 3bg5 h MET 587 CO 0.07 1.19 -0.10 0.97 1.06 0.00 0.00 176.91 180.10 3bg5 h ILE 588 N -0.36 0.58 -0.32 -1.22 -0.00 -0.53 -2.47 117.51 113.19 3bg5 h ILE 588 Ca -0.11 -0.44 -0.14 0.00 -0.00 0.00 0.00 64.86 64.17 3bg5 h ILE 588 Cb 1.51 1.28 -0.01 0.00 -0.00 0.00 0.00 36.82 39.60 3bg5 h ILE 588 CO 0.13 0.10 -0.37 0.78 -0.00 0.00 0.00 178.15 178.79 3bg5 h ASN 589 N 0.00 0.79 -0.47 2.19 -0.26 -1.35 -3.22 115.58 113.25 3bg5 h ASN 589 Ca -0.00 -0.35 -0.09 0.00 -0.56 0.00 0.00 56.30 55.30 3bg5 h ASN 589 Cb 0.27 -0.22 -0.05 0.00 -1.06 0.00 0.00 38.32 37.26 3bg5 h ASN 589 CO 0.01 1.07 0.07 2.30 -1.06 0.00 0.00 177.43 179.83 3bg5 n ILE 590 N -4.05 2.61 -0.13 2.81 -6.64 -1.02 -4.64 119.36 108.30 3bg5 n ILE 590 Ca -0.02 -1.85 -0.07 0.00 -1.77 0.00 0.00 62.75 59.05 3bg5 n ILE 590 Cb 0.52 -0.30 0.09 0.00 -1.44 0.00 0.00 39.64 38.51 3bg5 n ILE 590 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3bg5 h ALA 591 N 2.32 0.93 -0.22 -1.28 0.00 -1.47 0.83 119.26 120.37 3bg5 h ALA 591 Ca 0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 3bg5 h ALA 591 Cb 1.84 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3bg5 h ALA 591 CO 0.45 0.62 -0.10 0.66 0.00 0.00 0.00 179.25 180.89 3bg5 h SER 592 N 0.78 0.47 -0.32 0.00 4.64 -1.82 0.27 113.55 117.57 3bg5 h SER 592 Ca 0.13 -0.40 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 3bg5 h SER 592 Cb 0.61 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 3bg5 h SER 592 CO 0.04 0.77 0.17 0.50 -0.87 0.00 0.00 176.83 177.43 3bg5 h LYS 593 N 0.17 0.45 -0.60 4.77 1.63 -1.74 -2.55 116.57 118.70 3bg5 h LYS 593 Ca 0.05 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 59.86 3bg5 h LYS 593 Cb 0.58 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.07 3bg5 h LYS 593 CO 0.03 0.39 0.30 1.15 -3.45 0.00 0.00 179.45 177.87 3bg5 h THR 594 N 0.38 0.92 -0.84 1.00 2.02 -0.67 -0.32 112.91 115.41 3bg5 h THR 594 Ca 0.11 -0.19 0.16 0.00 0.77 0.00 0.00 66.41 67.25 3bg5 h THR 594 Cb 0.08 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 66.74 3bg5 h THR 594 CO -0.02 0.10 0.55 0.00 0.37 0.00 0.00 175.52 176.53 3bg5 h ALA 595 N 1.34 2.02 0.00 6.16 0.00 -0.12 -1.44 119.26 127.22 3bg5 h ALA 595 Ca 0.28 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3bg5 h ALA 595 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3bg5 h ALA 595 CO -0.20 -0.25 -0.02 0.22 0.00 0.00 0.00 179.25 178.99 3bg5 h ASP 596 N 0.53 0.00 -0.63 0.00 3.58 -0.84 -3.10 116.42 115.96 3bg5 h ASP 596 Ca 0.42 -0.79 0.08 0.00 0.42 0.00 0.00 57.03 57.16 3bg5 h ASP 596 Cb 0.86 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.84 3bg5 h ASP 596 CO -0.17 0.91 0.30 0.58 -2.88 0.00 0.00 179.24 177.98 3bg5 h VAL 597 N -1.00 0.87 -0.54 2.25 2.07 -0.88 -1.79 116.25 117.23 3bg5 h VAL 597 Ca -0.01 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3bg5 h VAL 597 Cb 0.81 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3bg5 h VAL 597 CO -0.00 0.10 0.07 0.49 0.02 0.00 0.00 177.57 178.25 3bg5 n PHE 598 N -4.90 1.89 0.27 1.57 3.01 -0.56 -3.92 117.46 114.82 3bg5 n PHE 598 Ca 0.08 -0.75 0.16 0.00 1.01 0.00 0.00 57.45 57.96 3bg5 n PHE 598 Cb 0.23 -0.51 0.79 0.00 -0.01 0.00 0.00 39.48 39.98 3bg5 n PHE 598 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 3bg5 h LYS 599 N 3.06 0.00 -0.00 -1.08 2.10 -1.23 0.17 116.57 119.58 3bg5 h LYS 599 Ca 0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.72 3bg5 h LYS 599 Cb 1.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.20 3bg5 h LYS 599 CO 0.49 0.00 -0.28 -0.25 -2.00 0.00 0.00 179.45 177.41 3bg5 n ASP 600 N -3.10 0.84 -4.67 7.07 8.00 -1.26 -4.58 116.55 118.84 3bg5 n ASP 600 Ca 0.00 -0.92 -0.31 0.00 0.71 0.00 0.00 54.79 54.27 3bg5 n ASP 600 Cb 0.45 0.69 0.16 0.00 -0.02 0.00 0.00 41.12 42.40 3bg5 n ASP 600 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bg5 s GLY 601 N -1.50 1.67 -0.06 0.44 0.00 0.05 -4.87 107.32 103.06 3bg5 s GLY 601 Ca 0.06 0.48 -0.25 0.00 0.00 0.00 0.00 44.72 45.01 3bg5 s GLY 601 CO 0.28 0.92 1.04 -2.75 0.00 0.00 0.00 173.10 172.59 3bg5 h PHE 602 N -1.84 -0.06 -3.35 1.90 3.57 -1.46 -3.43 116.94 112.27 3bg5 h PHE 602 Ca -0.45 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 3bg5 h PHE 602 Cb 1.27 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.94 3bg5 h PHE 602 CO 0.49 0.52 0.03 -1.54 -2.23 0.00 0.00 178.31 175.58 3bg5 s SER 603 N -5.74 -0.21 -0.20 0.41 1.04 -1.25 -3.86 113.70 103.89 3bg5 s SER 603 Ca -0.16 -0.65 -0.03 0.00 0.48 0.00 0.00 55.95 55.60 3bg5 s SER 603 Cb 0.00 0.61 -0.01 0.00 0.10 0.00 0.00 66.02 66.73 3bg5 s SER 603 CO 0.62 -1.15 -0.07 -0.76 0.98 0.00 0.00 173.24 172.86 3bg5 s LEU 604 N -2.93 2.79 -0.59 2.42 1.43 0.14 -2.76 118.68 119.18 3bg5 s LEU 604 Ca 0.14 -0.41 -0.27 0.00 -1.03 0.00 0.00 54.13 52.55 3bg5 s LEU 604 Cb -0.02 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.54 3bg5 s LEU 604 CO 0.03 0.01 1.15 -0.70 0.23 0.00 0.00 176.35 177.06 3bg5 s GLU 605 N 1.31 3.44 -0.04 1.70 2.12 0.15 -0.33 118.70 127.05 3bg5 s GLU 605 Ca 0.04 0.09 0.06 0.00 0.36 0.00 0.00 54.97 55.51 3bg5 s GLU 605 Cb -0.14 -4.04 0.09 0.00 0.26 0.00 0.00 34.13 30.29 3bg5 s GLU 605 CO -0.03 -1.68 1.01 0.00 -0.54 0.00 0.00 175.26 174.01 3bg5 n MET 606 N 8.32 0.50 -3.83 4.30 0.00 -0.56 -3.08 117.12 122.77 3bg5 n MET 606 Ca 0.06 -1.45 -0.08 0.00 0.00 0.00 0.00 57.70 56.24 3bg5 n MET 606 Cb 0.49 -0.82 0.01 0.00 0.00 0.00 0.00 33.22 32.90 3bg5 n MET 606 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 3bg5 s TRP 607 N -0.90 0.01 0.00 3.17 -0.00 -1.24 -4.79 118.94 115.19 3bg5 s TRP 607 Ca 0.10 -0.58 0.00 0.00 -0.00 0.00 0.00 56.10 55.62 3bg5 s TRP 607 Cb 0.08 0.78 0.00 0.00 -0.00 0.00 0.00 33.47 34.33 3bg5 s TRP 607 CO 0.01 -1.39 0.00 0.41 -0.00 0.00 0.00 176.95 175.98 3bg5 n GLY 608 N -0.52 -1.34 7.00 5.86 0.00 -1.26 -2.65 105.19 112.28 3bg5 n GLY 608 Ca -0.07 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3bg5 n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLY 609 N 0.00 2.51 0.04 -0.02 0.00 -0.81 -2.64 105.19 104.28 3bg5 n GLY 609 Ca 0.00 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3bg5 n GLY 609 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bg5 n ALA 610 N 10.25 3.33 0.20 4.61 0.00 -1.26 -4.19 120.51 133.45 3bg5 n ALA 610 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.15 3bg5 n ALA 610 Cb 0.00 -1.17 0.45 0.00 0.00 0.00 0.00 19.45 18.74 3bg5 n ALA 610 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3bg5 h THR 611 N 0.18 1.17 0.04 0.00 1.35 -1.85 -1.48 112.91 112.31 3bg5 h THR 611 Ca 0.00 -0.79 -0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3bg5 h THR 611 Cb 0.49 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3bg5 h THR 611 CO 0.00 0.23 -0.02 0.15 -0.25 0.00 0.00 175.52 175.63 3bg5 h PHE 612 N 0.03 -0.05 0.52 4.73 3.57 -1.75 -0.63 116.94 123.36 3bg5 h PHE 612 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3bg5 h PHE 612 Cb 0.40 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3bg5 h PHE 612 CO 0.00 0.23 -0.37 0.22 -2.23 0.00 0.00 178.31 176.16 3bg5 h ASP 613 N -0.32 -0.96 -0.87 0.41 1.82 -1.80 -3.21 116.42 111.49 3bg5 h ASP 613 Ca -0.01 0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 3bg5 h ASP 613 Cb 0.29 0.30 -0.04 0.00 0.68 0.00 0.00 39.33 40.56 3bg5 h ASP 613 CO 0.01 -0.55 0.55 0.58 -1.61 0.00 0.00 179.24 178.22 3bg5 h VAL 614 N -0.86 1.23 0.68 2.25 2.07 -1.23 0.47 116.25 120.86 3bg5 h VAL 614 Ca -0.06 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3bg5 h VAL 614 Cb 0.72 -0.02 0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3bg5 h VAL 614 CO 0.02 0.23 -0.33 0.00 0.02 0.00 0.00 177.57 177.52 3bg5 h ALA 615 N 1.30 -0.91 -0.79 1.67 0.00 -1.19 0.01 119.26 119.36 3bg5 h ALA 615 Ca 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bg5 h ALA 615 Cb -0.10 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3bg5 h ALA 615 CO -0.06 -0.98 0.50 1.88 0.00 0.00 0.00 179.25 180.59 3bg5 h TYR 616 N -0.98 1.01 0.00 0.00 0.99 -1.40 0.25 116.97 116.84 3bg5 h TYR 616 Ca -0.09 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3bg5 h TYR 616 Cb 0.72 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 38.11 3bg5 h TYR 616 CO -0.02 0.66 -0.01 -0.97 -0.00 0.00 0.00 178.16 177.83 3bg5 h ASN 617 N 1.07 0.00 0.31 3.88 -0.00 -0.79 -3.28 115.58 116.77 3bg5 h ASN 617 Ca 0.28 0.00 -0.33 0.00 -0.00 0.00 0.00 56.30 56.26 3bg5 h ASN 617 Cb -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.21 3bg5 h ASN 617 CO -0.06 0.18 -1.84 -0.26 -0.00 0.00 0.00 177.43 175.45 3bg5 h PHE 618 N -0.35 0.28 0.00 0.67 -1.00 -1.20 -3.35 116.94 111.98 3bg5 h PHE 618 Ca 0.00 -0.20 0.00 0.00 2.81 0.00 0.00 57.97 60.58 3bg5 h PHE 618 Cb 0.01 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3bg5 h PHE 618 CO -0.00 1.42 -0.64 1.28 -1.61 0.00 0.00 178.31 178.76 3bg5 n LEU 619 N -3.29 0.61 -4.05 1.54 4.77 -0.80 -4.95 117.00 110.82 3bg5 n LEU 619 Ca -0.24 -0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.37 3bg5 n LEU 619 Cb 1.05 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.92 3bg5 n LEU 619 CO 0.44 0.14 -0.19 0.29 -1.33 0.00 0.00 177.39 176.73 3bg5 n LYS 620 N -1.56 -3.12 -4.22 3.23 4.76 0.20 -4.87 118.16 112.59 3bg5 n LYS 620 Ca 0.05 0.37 -0.17 0.00 -2.87 0.00 0.00 58.31 55.69 3bg5 n LYS 620 Cb 0.35 -4.62 -0.13 0.00 -1.84 0.00 0.00 35.03 28.79 3bg5 n LYS 620 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3bg5 s GLU 621 N -6.72 0.73 -0.33 1.97 -1.05 0.64 -4.55 118.70 109.40 3bg5 s GLU 621 Ca 0.20 -0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 54.02 3bg5 s GLU 621 Cb -0.11 -0.67 0.02 0.00 -0.44 0.00 0.00 34.13 32.92 3bg5 s GLU 621 CO 0.91 0.16 1.09 1.21 0.95 0.00 0.00 175.26 179.58 3bg5 s ASN 622 N -1.22 6.90 0.52 0.83 3.04 -1.26 -2.32 114.94 121.42 3bg5 s ASN 622 Ca -0.02 1.04 0.20 0.00 0.04 0.00 0.00 52.86 54.11 3bg5 s ASN 622 Cb -0.08 -2.54 1.36 0.00 -1.54 0.00 0.00 41.25 38.44 3bg5 s ASN 622 CO 0.01 -0.91 2.13 1.55 -3.04 0.00 0.00 177.10 176.84 3bg5 h PRO 623 N 8.22 0.00 -0.82 0.43 0.13 -1.90 -1.36 132.00 136.70 3bg5 h PRO 623 Ca -0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 3bg5 h PRO 623 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 3bg5 h PRO 623 CO 1.04 0.06 0.47 -1.49 -0.23 0.00 0.00 178.00 177.84 3bg5 h TRP 624 N 0.00 1.10 -0.15 1.56 4.06 -1.99 -1.72 115.95 118.81 3bg5 h TRP 624 Ca -0.00 -0.01 -0.15 0.00 2.06 0.00 0.00 58.89 60.79 3bg5 h TRP 624 Cb 0.11 -0.36 -0.01 0.00 -1.00 0.00 0.00 29.16 27.90 3bg5 h TRP 624 CO 0.00 0.75 -0.52 0.93 -3.56 0.00 0.00 178.44 176.04 3bg5 h GLU 625 N 1.14 0.43 -0.68 0.49 5.08 -1.66 -1.62 114.58 117.76 3bg5 h GLU 625 Ca 0.29 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3bg5 h GLU 625 Cb -0.00 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 3bg5 h GLU 625 CO -0.05 0.85 0.44 -0.09 -1.00 0.00 0.00 179.01 179.17 3bg5 h ARG 626 N 0.34 0.90 0.62 2.33 2.43 -1.17 -2.20 114.38 117.63 3bg5 h ARG 626 Ca 0.01 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3bg5 h ARG 626 Cb 1.03 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.39 3bg5 h ARG 626 CO 0.09 0.61 -0.30 1.25 -1.51 0.00 0.00 179.97 180.11 3bg5 h LEU 627 N 0.92 -0.70 -0.60 3.80 5.85 -1.05 -2.20 115.31 121.33 3bg5 h LEU 627 Ca 0.25 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3bg5 h LEU 627 Cb -0.09 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3bg5 h LEU 627 CO -0.05 -0.41 0.29 -0.33 -0.34 0.00 0.00 178.44 177.60 3bg5 h GLU 628 N -0.97 0.86 -0.15 1.25 5.08 -1.30 0.22 114.58 119.56 3bg5 h GLU 628 Ca -0.08 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3bg5 h GLU 628 Cb 0.68 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3bg5 h GLU 628 CO 0.14 0.69 0.07 0.00 -1.00 0.00 0.00 179.01 178.90 3bg5 h ARG 629 N 0.81 0.23 -0.73 2.33 3.08 -1.47 -0.45 114.38 118.19 3bg5 h ARG 629 Ca 0.21 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 3bg5 h ARG 629 Cb 0.11 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3bg5 h ARG 629 CO -0.03 0.29 0.29 -0.07 -1.07 0.00 0.00 179.97 179.39 3bg5 h LEU 630 N 0.11 1.00 -0.03 3.04 3.38 -1.13 0.08 115.31 121.76 3bg5 h LEU 630 Ca 0.05 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.90 3bg5 h LEU 630 Cb 0.15 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3bg5 h LEU 630 CO -0.01 0.89 -0.47 -0.09 0.09 0.00 0.00 178.44 178.85 3bg5 h ARG 631 N 1.06 -0.58 -0.81 1.13 1.12 -0.22 0.45 114.38 116.53 3bg5 h ARG 631 Ca 0.25 0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.14 3bg5 h ARG 631 Cb 0.20 0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.25 3bg5 h ARG 631 CO -0.02 -0.39 0.43 -0.22 -3.11 0.00 0.00 179.97 176.66 3bg5 h LYS 632 N -0.60 1.13 -0.06 0.20 3.64 -0.79 -2.38 116.57 117.70 3bg5 h LYS 632 Ca 0.04 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 3bg5 h LYS 632 Cb 0.68 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3bg5 h LYS 632 CO -0.35 0.84 -0.43 0.00 -2.27 0.00 0.00 179.45 177.24 3bg5 h ALA 633 N 1.34 1.16 -2.81 5.00 0.00 -0.59 -3.37 119.26 119.98 3bg5 h ALA 633 Ca 0.29 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 54.17 3bg5 h ALA 633 Cb 0.04 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 17.35 3bg5 h ALA 633 CO -0.04 0.58 -0.73 0.42 0.00 0.00 0.00 179.25 179.48 3bg5 s ILE 634 N -4.08 1.89 -0.73 0.00 1.01 0.16 -4.64 121.20 114.81 3bg5 s ILE 634 Ca -0.04 -3.62 0.26 0.00 0.00 0.00 0.00 60.65 57.25 3bg5 s ILE 634 Cb 0.14 -2.26 0.26 0.00 0.01 0.00 0.00 42.46 40.61 3bg5 s ILE 634 CO 0.76 -1.09 1.73 -0.81 0.00 0.00 0.00 174.94 175.53 3bg5 n PRO 635 N 2.34 0.26 0.05 2.79 -0.04 -1.18 -4.34 135.00 134.89 3bg5 n PRO 635 Ca 0.23 0.20 -0.16 0.00 -0.04 0.00 0.00 63.50 63.73 3bg5 n PRO 635 Cb 0.40 -1.79 -0.14 0.00 -0.04 0.00 0.00 33.50 31.93 3bg5 n PRO 635 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 3bg5 h ASN 636 N 0.00 0.35 -2.78 3.54 -1.07 -1.87 -3.42 115.58 110.32 3bg5 h ASN 636 Ca 0.00 -0.52 -0.66 0.00 0.07 0.00 0.00 56.30 55.18 3bg5 h ASN 636 Cb 0.74 -0.12 -0.08 0.00 -2.07 0.00 0.00 38.32 36.79 3bg5 h ASN 636 CO 0.00 1.44 -0.51 -0.69 0.07 0.00 0.00 177.43 177.74 3bg5 s VAL 637 N -2.61 5.30 0.41 6.14 1.01 -1.26 -1.31 120.40 128.08 3bg5 s VAL 637 Ca -0.10 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.66 3bg5 s VAL 637 Cb 0.07 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 33.01 3bg5 s VAL 637 CO 0.84 0.54 1.47 0.18 0.00 0.00 0.00 175.10 178.14 3bg5 n LEU 638 N 1.74 4.99 -4.76 3.92 4.77 -1.25 -4.65 117.00 121.76 3bg5 n LEU 638 Ca -0.18 1.18 -0.36 0.00 -0.03 0.00 0.00 56.01 56.63 3bg5 n LEU 638 Cb 0.54 -1.62 -0.07 0.00 -2.33 0.00 0.00 43.42 39.94 3bg5 n LEU 638 CO 0.34 0.05 -0.12 -0.36 -1.33 0.00 0.00 177.39 175.97 3bg5 s PHE 639 N -1.15 3.46 -0.07 -1.77 0.40 -1.26 -0.69 117.98 116.91 3bg5 s PHE 639 Ca 0.57 0.46 0.04 0.00 -0.60 0.00 0.00 56.93 57.40 3bg5 s PHE 639 Cb -0.46 -2.19 -0.02 0.00 0.51 0.00 0.00 43.02 40.87 3bg5 s PHE 639 CO 0.61 0.35 -0.19 -1.14 0.70 0.00 0.00 175.22 175.55 3bg5 s GLN 640 N 0.14 2.71 0.03 0.44 0.74 0.55 -0.46 119.66 123.81 3bg5 s GLN 640 Ca 0.12 -0.79 0.03 0.00 0.05 0.00 0.00 55.36 54.77 3bg5 s GLN 640 Cb -0.12 -2.33 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 3bg5 s GLN 640 CO 0.01 0.42 -0.09 0.00 -0.55 0.00 0.00 175.29 175.08 3bg5 s MET 641 N -0.24 0.65 -0.25 1.67 0.23 -0.59 -1.50 119.30 119.28 3bg5 s MET 641 Ca -0.00 -0.61 -0.21 0.00 -1.03 0.00 0.00 55.69 53.83 3bg5 s MET 641 Cb -0.13 -0.57 -0.02 0.00 -1.53 0.00 0.00 34.83 32.59 3bg5 s MET 641 CO 0.03 0.13 0.68 -1.17 -2.03 0.00 0.00 175.02 172.66 3bg5 s LEU 642 N -1.04 4.07 -0.10 0.18 2.96 -1.09 -1.93 118.68 121.74 3bg5 s LEU 642 Ca -0.03 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 54.70 3bg5 s LEU 642 Cb -0.07 -2.94 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 3bg5 s LEU 642 CO 0.01 -0.40 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.25 3bg5 s LEU 643 N 2.55 2.54 -1.25 -0.68 2.96 -0.50 -1.92 118.68 122.38 3bg5 s LEU 643 Ca 0.28 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3bg5 s LEU 643 Cb -0.15 -1.54 0.18 0.00 0.50 0.00 0.00 46.19 45.18 3bg5 s LEU 643 CO 0.08 0.21 2.06 0.54 -1.32 0.00 0.00 176.35 177.93 3bg5 n ARG 644 N 3.20 4.36 0.00 1.98 1.74 0.56 -2.52 116.66 125.98 3bg5 n ARG 644 Ca -0.18 -3.73 0.00 0.00 -0.77 0.00 0.00 57.85 53.17 3bg5 n ARG 644 Cb 0.53 -2.70 0.00 0.00 -1.02 0.00 0.00 32.46 29.27 3bg5 n ARG 644 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bg5 n ALA 645 N 2.18 0.00 1.40 7.54 0.00 -0.48 0.32 120.51 131.47 3bg5 n ALA 645 Ca 0.49 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.07 3bg5 n ALA 645 Cb 0.29 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.26 3bg5 n ALA 645 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3bg5 n SER 646 N 3.13 0.96 -0.41 0.00 7.64 -1.23 -3.07 113.62 120.63 3bg5 n SER 646 Ca 0.00 -0.99 0.12 0.00 1.01 0.00 0.00 58.87 59.01 3bg5 n SER 646 Cb 0.00 0.04 0.23 0.00 -1.01 0.00 0.00 64.21 63.46 3bg5 n SER 646 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3bg5 n ASN 647 N -0.51 1.59 0.00 6.43 4.13 0.15 -2.11 115.26 124.94 3bg5 n ASN 647 Ca 0.15 -1.26 0.00 0.00 1.68 0.00 0.00 54.58 55.15 3bg5 n ASN 647 Cb 0.32 0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 3bg5 n ASN 647 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3bg5 n ALA 648 N -0.20 0.00 -1.12 5.41 0.00 -0.88 0.21 120.51 123.92 3bg5 n ALA 648 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.57 3bg5 n ALA 648 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.87 3bg5 n ALA 648 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3bg5 n VAL 649 N 0.00 0.32 -1.59 0.00 3.14 -1.26 -0.33 118.33 118.62 3bg5 n VAL 649 Ca 0.00 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 3bg5 n VAL 649 Cb 0.00 0.68 0.00 0.00 -1.06 0.00 0.00 33.84 33.46 3bg5 n VAL 649 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3bg5 n GLY 650 N -0.20 3.15 0.00 7.55 0.00 0.13 -4.72 105.19 111.10 3bg5 n GLY 650 Ca 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3bg5 n GLY 650 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3bg5 n TYR 651 N 0.00 0.00 -4.36 1.61 4.01 -1.26 -4.87 117.16 112.30 3bg5 n TYR 651 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 3bg5 n TYR 651 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 38.95 3bg5 n TYR 651 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3bg5 s LYS 652 N -0.46 1.84 0.29 -0.72 -2.85 -1.26 -4.71 119.74 111.87 3bg5 s LYS 652 Ca 0.00 -2.09 -0.29 0.00 -1.00 0.00 0.00 55.97 52.59 3bg5 s LYS 652 Cb 0.00 0.08 -0.09 0.00 -2.06 0.00 0.00 37.83 35.75 3bg5 s LYS 652 CO 0.00 -0.63 1.08 -0.80 0.10 0.00 0.00 175.35 175.10 3bg5 s ASN 653 N -3.45 7.23 0.32 0.03 -0.87 -1.15 -4.11 114.94 112.93 3bg5 s ASN 653 Ca 0.36 2.22 0.08 0.00 -1.57 0.00 0.00 52.86 53.95 3bg5 s ASN 653 Cb 0.02 -2.62 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 3bg5 s ASN 653 CO 0.25 -0.16 0.16 -0.31 -2.57 0.00 0.00 177.10 174.47 3bg5 s TYR 654 N -1.22 2.81 0.51 2.20 1.51 -0.90 -4.98 117.35 117.27 3bg5 s TYR 654 Ca 0.46 -0.30 -0.22 0.00 -1.01 0.00 0.00 57.07 55.99 3bg5 s TYR 654 Cb -0.30 -1.58 -0.07 0.00 -0.11 0.00 0.00 41.96 39.90 3bg5 s TYR 654 CO 0.39 0.37 1.17 -2.30 -1.11 0.00 0.00 175.55 174.07 3bg5 n PRO 655 N -1.17 1.49 -0.09 -1.71 -0.02 -1.26 -4.62 135.00 127.62 3bg5 n PRO 655 Ca -0.04 0.54 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 3bg5 n PRO 655 Cb 0.60 -2.32 0.43 0.00 -0.02 0.00 0.00 33.50 32.18 3bg5 n PRO 655 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3bg5 h ASP 656 N 1.38 0.50 0.49 2.55 5.19 -1.85 0.00 116.42 124.67 3bg5 h ASP 656 Ca -0.48 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 3bg5 h ASP 656 Cb 1.32 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.73 3bg5 h ASP 656 CO 0.56 0.33 0.00 -0.55 -3.12 0.00 0.00 179.24 176.46 3bg5 h ASN 657 N 0.57 0.00 0.04 6.45 -1.07 -1.95 -1.86 115.58 117.76 3bg5 h ASN 657 Ca 0.25 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.62 3bg5 h ASN 657 Cb 0.25 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.50 3bg5 h ASN 657 CO -0.07 0.00 -0.02 0.58 0.07 0.00 0.00 177.43 177.99 3bg5 h VAL 658 N 0.00 1.33 -0.55 6.14 2.07 -1.34 -2.23 116.25 121.67 3bg5 h VAL 658 Ca 0.00 -1.69 0.05 0.00 0.82 0.00 0.00 66.70 65.88 3bg5 h VAL 658 Cb 0.24 2.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 3bg5 h VAL 658 CO 0.00 0.40 0.28 0.40 0.02 0.00 0.00 177.57 178.66 3bg5 h ILE 659 N -0.86 0.94 -0.19 4.57 5.03 -1.52 0.19 117.51 125.67 3bg5 h ILE 659 Ca -0.01 -0.18 0.04 0.00 -0.12 0.00 0.00 64.86 64.60 3bg5 h ILE 659 Cb 0.69 0.37 -0.04 0.00 -3.03 0.00 0.00 36.82 34.81 3bg5 h ILE 659 CO 0.01 0.10 -0.09 0.45 -0.68 0.00 0.00 178.15 177.93 3bg5 h HIS 660 N 0.53 -0.21 -0.75 1.37 3.86 -1.44 -1.77 115.15 116.73 3bg5 h HIS 660 Ca 0.24 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.44 3bg5 h HIS 660 Cb 0.16 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 3bg5 h HIS 660 CO -0.10 -0.14 0.32 -0.22 0.86 0.00 0.00 177.93 178.64 3bg5 h LYS 661 N -0.07 1.11 -0.51 2.45 3.64 -0.86 -1.59 116.57 120.75 3bg5 h LYS 661 Ca 0.10 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3bg5 h LYS 661 Cb 0.22 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3bg5 h LYS 661 CO -0.24 0.90 0.30 0.35 -2.27 0.00 0.00 179.45 178.50 3bg5 h PHE 662 N 1.08 0.67 -0.50 1.91 3.57 -0.72 -1.80 116.94 121.14 3bg5 h PHE 662 Ca 0.25 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 3bg5 h PHE 662 Cb 0.19 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3bg5 h PHE 662 CO 0.02 0.47 -0.14 0.28 -2.23 0.00 0.00 178.31 176.70 3bg5 h VAL 663 N 0.68 1.27 -0.69 1.41 2.07 -1.12 0.61 116.25 120.48 3bg5 h VAL 663 Ca 0.18 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.46 3bg5 h VAL 663 Cb -0.01 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 3bg5 h VAL 663 CO -0.03 0.45 0.42 1.56 0.02 0.00 0.00 177.57 179.98 3bg5 h GLN 664 N 0.85 0.78 0.04 1.57 4.20 -1.02 0.21 115.11 121.74 3bg5 h GLN 664 Ca 0.13 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.56 3bg5 h GLN 664 Cb 0.69 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 3bg5 h GLN 664 CO 0.05 0.52 -1.00 0.93 -0.67 0.00 0.00 178.83 178.66 3bg5 h GLU 665 N 0.80 0.28 -0.10 1.46 4.39 -1.16 -2.17 114.58 118.09 3bg5 h GLU 665 Ca 0.29 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3bg5 h GLU 665 Cb 0.07 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3bg5 h GLU 665 CO -0.13 1.08 0.02 0.77 -1.16 0.00 0.00 179.01 179.58 3bg5 h SER 666 N 0.13 0.15 -0.47 1.42 0.02 -0.62 -0.91 113.55 113.27 3bg5 h SER 666 Ca -0.08 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 3bg5 h SER 666 Cb 1.67 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 64.15 3bg5 h SER 666 CO 0.16 0.37 0.20 0.00 -1.14 0.00 0.00 176.83 176.42 3bg5 h ALA 667 N 0.79 0.60 -0.58 3.77 0.00 -1.04 -1.69 119.26 121.12 3bg5 h ALA 667 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3bg5 h ALA 667 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3bg5 h ALA 667 CO 0.00 0.19 0.24 -0.22 0.00 0.00 0.00 179.25 179.47 3bg5 h LYS 668 N 0.61 0.83 -0.00 0.00 3.64 -1.34 -2.83 116.57 117.48 3bg5 h LYS 668 Ca 0.16 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3bg5 h LYS 668 Cb 0.16 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3bg5 h LYS 668 CO -0.02 0.68 -0.16 0.00 -2.27 0.00 0.00 179.45 177.68 3bg5 n ALA 669 N -2.45 2.72 0.00 5.00 0.00 -0.35 -4.91 120.51 120.51 3bg5 n ALA 669 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3bg5 n ALA 669 Cb 0.15 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3bg5 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 670 N 1.49 0.28 3.77 0.00 0.00 -0.98 -4.44 105.19 105.30 3bg5 n GLY 670 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3bg5 n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bg5 s ILE 671 N -0.30 3.20 -0.02 -0.61 -1.09 -0.67 -4.54 121.20 117.15 3bg5 s ILE 671 Ca 0.00 1.11 0.00 0.00 -2.23 0.00 0.00 60.65 59.53 3bg5 s ILE 671 Cb 0.00 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 3bg5 s ILE 671 CO 0.00 0.19 -0.02 0.47 -1.23 0.00 0.00 174.94 174.35 3bg5 n ASP 672 N 0.61 3.82 -4.20 3.58 9.92 0.39 -4.41 116.55 126.25 3bg5 n ASP 672 Ca 0.02 -0.01 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 3bg5 n ASP 672 Cb 0.45 -0.03 -0.15 0.00 -0.64 0.00 0.00 41.12 40.74 3bg5 n ASP 672 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3bg5 s VAL 673 N -2.05 2.50 -0.27 2.53 1.01 -0.12 0.07 120.40 124.07 3bg5 s VAL 673 Ca -0.03 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 3bg5 s VAL 673 Cb 0.01 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3bg5 s VAL 673 CO 0.06 0.51 0.09 -0.36 0.00 0.00 0.00 175.10 175.40 3bg5 s PHE 674 N 1.18 3.12 -0.63 5.22 0.08 -0.24 -1.54 117.98 125.16 3bg5 s PHE 674 Ca 0.02 -0.57 -0.21 0.00 0.12 0.00 0.00 56.93 56.28 3bg5 s PHE 674 Cb -0.14 -2.27 0.08 0.00 -0.57 0.00 0.00 43.02 40.12 3bg5 s PHE 674 CO -0.07 -0.43 0.85 0.50 -0.10 0.00 0.00 175.22 175.98 3bg5 s ARG 675 N 1.59 3.09 0.02 0.44 3.52 -0.82 -1.05 118.95 125.74 3bg5 s ARG 675 Ca 0.05 -1.01 -0.21 0.00 -0.13 0.00 0.00 55.73 54.42 3bg5 s ARG 675 Cb -0.16 -4.24 -0.06 0.00 -1.56 0.00 0.00 34.95 28.94 3bg5 s ARG 675 CO 0.04 -1.68 0.63 0.42 -0.81 0.00 0.00 175.30 173.90 3bg5 s ILE 676 N 3.48 4.84 -0.04 4.11 1.01 0.63 -1.41 121.20 133.82 3bg5 s ILE 676 Ca 0.18 1.33 -0.18 0.00 0.00 0.00 0.00 60.65 61.98 3bg5 s ILE 676 Cb -0.20 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.34 3bg5 s ILE 676 CO 0.09 0.42 0.40 0.72 0.00 0.00 0.00 174.94 176.57 3bg5 s PHE 677 N -0.26 -0.32 -0.09 3.97 -0.71 -1.05 -1.58 117.98 117.94 3bg5 s PHE 677 Ca 0.32 0.57 0.02 0.00 -1.04 0.00 0.00 56.93 56.81 3bg5 s PHE 677 Cb -0.19 0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.77 3bg5 s PHE 677 CO 0.19 -0.41 -0.17 0.34 -1.34 0.00 0.00 175.22 173.83 3bg5 s ASP 678 N -1.06 3.72 0.00 1.98 -1.08 -1.26 -1.38 116.67 117.59 3bg5 s ASP 678 Ca -0.11 -0.36 0.12 0.00 -0.52 0.00 0.00 52.55 51.68 3bg5 s ASP 678 Cb -0.04 -1.25 0.64 0.00 -1.46 0.00 0.00 42.92 40.81 3bg5 s ASP 678 CO 0.05 0.22 1.20 -1.54 0.52 0.00 0.00 175.17 175.62 3bg5 n SER 679 N 3.12 0.00 -0.03 -0.34 3.41 -1.26 -0.50 113.62 118.02 3bg5 n SER 679 Ca -0.18 -0.14 0.02 0.00 -0.26 0.00 0.00 58.87 58.31 3bg5 n SER 679 Cb 0.52 -0.13 0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3bg5 n SER 679 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bg5 n LEU 680 N -1.13 1.87 -3.09 1.04 4.77 -1.26 -4.35 117.00 114.85 3bg5 n LEU 680 Ca 0.07 -2.06 -0.21 0.00 -0.03 0.00 0.00 56.01 53.79 3bg5 n LEU 680 Cb 0.06 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3bg5 n LEU 680 CO 0.08 0.50 -0.06 0.59 -1.33 0.00 0.00 177.39 177.17 3bg5 n ASN 681 N -0.65 -4.32 -4.43 -1.43 3.02 0.34 -4.57 115.26 103.23 3bg5 n ASN 681 Ca 0.03 -0.25 -0.44 0.00 -0.03 0.00 0.00 54.58 53.90 3bg5 n ASN 681 Cb 0.36 -3.57 -0.07 0.00 -0.61 0.00 0.00 39.78 35.90 3bg5 n ASN 681 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3bg5 s TRP 682 N -2.92 3.15 0.31 3.10 -0.00 -1.26 -4.96 118.94 116.36 3bg5 s TRP 682 Ca 0.29 -0.69 0.02 0.00 -0.00 0.00 0.00 56.10 55.73 3bg5 s TRP 682 Cb -0.15 -3.27 0.59 0.00 -0.00 0.00 0.00 33.47 30.64 3bg5 s TRP 682 CO 0.36 -0.88 1.89 0.28 -0.00 0.00 0.00 176.95 178.60 3bg5 h VAL 683 N 5.79 0.99 -1.10 5.86 2.07 -1.97 -1.73 116.25 126.16 3bg5 h VAL 683 Ca -0.28 -0.33 0.32 0.00 0.82 0.00 0.00 66.70 67.23 3bg5 h VAL 683 Cb 1.10 -0.05 -0.11 0.00 -1.52 0.00 0.00 31.29 30.71 3bg5 h VAL 683 CO 0.90 0.17 0.69 0.44 0.02 0.00 0.00 177.57 179.80 3bg5 h ASP 684 N 0.96 0.42 0.90 0.57 3.32 -2.03 0.14 116.42 120.71 3bg5 h ASP 684 Ca 0.42 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.59 3bg5 h ASP 684 Cb 0.36 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3bg5 h ASP 684 CO -0.18 -0.01 0.00 1.56 -1.72 0.00 0.00 179.24 178.88 3bg5 h GLN 685 N 0.32 0.00 0.00 3.56 1.08 -1.74 -3.15 115.11 115.18 3bg5 h GLN 685 Ca 0.68 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.88 3bg5 h GLN 685 Cb 1.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.21 3bg5 h GLN 685 CO -0.39 0.00 -0.97 -1.33 -0.95 0.00 0.00 178.83 175.19 3bg5 n MET 686 N -2.52 0.09 -0.12 1.46 2.81 0.50 -3.56 117.12 115.78 3bg5 n MET 686 Ca 0.02 -0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.81 3bg5 n MET 686 Cb 0.27 -1.51 -0.01 0.00 -0.71 0.00 0.00 33.22 31.26 3bg5 n MET 686 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3bg5 h LYS 687 N 0.00 0.53 0.33 0.03 1.57 -1.53 -1.73 116.57 115.76 3bg5 h LYS 687 Ca 0.00 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3bg5 h LYS 687 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3bg5 h LYS 687 CO 0.00 0.46 -0.16 0.28 -0.57 0.00 0.00 179.45 179.46 3bg5 h VAL 688 N 0.47 0.68 -0.38 0.50 2.07 -1.81 -1.06 116.25 116.72 3bg5 h VAL 688 Ca 0.13 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.67 3bg5 h VAL 688 Cb 0.10 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3bg5 h VAL 688 CO -0.02 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.73 3bg5 h ALA 689 N 0.22 0.45 -0.47 1.67 0.00 -1.82 -1.66 119.26 117.65 3bg5 h ALA 689 Ca -0.05 0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3bg5 h ALA 689 Cb 0.35 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3bg5 h ALA 689 CO 0.07 -0.23 0.08 -0.97 0.00 0.00 0.00 179.25 178.20 3bg5 h ASN 690 N 0.32 -0.04 -0.70 0.00 -1.24 -1.13 -0.50 115.58 112.30 3bg5 h ASN 690 Ca 0.17 0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.24 3bg5 h ASN 690 Cb 0.12 0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.27 3bg5 h ASN 690 CO -0.15 0.01 0.32 -0.33 -1.29 0.00 0.00 177.43 175.99 3bg5 h GLU 691 N 0.20 1.04 -0.50 6.67 5.08 -0.62 -1.06 114.58 125.40 3bg5 h GLU 691 Ca 0.24 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 3bg5 h GLU 691 Cb 0.32 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3bg5 h GLU 691 CO -0.33 0.82 -0.13 0.00 -1.00 0.00 0.00 179.01 178.37 3bg5 h ALA 692 N 1.33 0.82 -0.14 3.43 0.00 -0.76 -2.73 119.26 121.20 3bg5 h ALA 692 Ca 0.25 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3bg5 h ALA 692 Cb 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3bg5 h ALA 692 CO -0.03 0.66 -0.06 0.28 0.00 0.00 0.00 179.25 180.10 3bg5 h VAL 693 N 0.85 1.31 -0.16 0.00 2.07 -0.58 -2.84 116.25 116.89 3bg5 h VAL 693 Ca 0.13 -1.08 0.05 0.00 0.82 0.00 0.00 66.70 66.62 3bg5 h VAL 693 Cb 0.68 1.73 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 3bg5 h VAL 693 CO 0.05 0.32 -0.19 1.56 0.02 0.00 0.00 177.57 179.32 3bg5 h GLN 694 N -0.04 -0.22 -0.44 1.57 1.08 -1.25 -1.89 115.11 113.93 3bg5 h GLN 694 Ca 0.03 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.37 3bg5 h GLN 694 Cb 0.52 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 3bg5 h GLN 694 CO 0.02 -0.14 0.35 1.49 -0.95 0.00 0.00 178.83 179.60 3bg5 h GLU 695 N -0.22 0.00 -0.01 1.46 4.81 -1.47 0.16 114.58 119.31 3bg5 h GLU 695 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3bg5 h GLU 695 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3bg5 h GLU 695 CO -0.30 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 177.94 3bg5 n ALA 696 N -2.53 2.68 -1.22 2.92 0.00 -0.72 -4.91 120.51 116.73 3bg5 n ALA 696 Ca 0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 3bg5 n ALA 696 Cb 0.55 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 3bg5 n ALA 696 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 697 N 1.16 0.94 3.87 0.00 0.00 0.57 -5.00 105.19 106.72 3bg5 n GLY 697 Ca 0.19 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 3bg5 n GLY 697 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bg5 s LYS 698 N -2.39 2.49 -0.18 1.61 -0.14 -1.14 -4.32 119.74 115.66 3bg5 s LYS 698 Ca 0.00 -1.59 -0.26 0.00 -1.36 0.00 0.00 55.97 52.76 3bg5 s LYS 698 Cb 0.00 -2.34 -0.01 0.00 -1.68 0.00 0.00 37.83 33.80 3bg5 s LYS 698 CO 0.00 -0.23 0.87 0.42 -0.76 0.00 0.00 175.35 175.66 3bg5 s ILE 699 N -2.50 4.84 -0.32 2.17 1.01 0.11 -4.41 121.20 122.09 3bg5 s ILE 699 Ca 0.47 1.71 -0.13 0.00 0.00 0.00 0.00 60.65 62.71 3bg5 s ILE 699 Cb -0.03 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3bg5 s ILE 699 CO 0.27 -0.02 0.24 -0.55 0.00 0.00 0.00 174.94 174.89 3bg5 s SER 700 N 1.18 6.07 -0.29 3.58 0.15 -1.26 -1.08 113.70 122.04 3bg5 s SER 700 Ca 0.39 -0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.72 3bg5 s SER 700 Cb -0.16 -2.14 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 3bg5 s SER 700 CO 0.11 -0.19 0.08 -0.70 1.20 0.00 0.00 173.24 173.74 3bg5 s GLU 701 N 1.77 3.08 -0.12 5.44 2.12 -0.22 -0.02 118.70 130.76 3bg5 s GLU 701 Ca 0.07 -0.87 -0.14 0.00 0.36 0.00 0.00 54.97 54.40 3bg5 s GLU 701 Cb -0.17 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 3bg5 s GLU 701 CO 0.11 -0.45 0.32 0.20 -0.54 0.00 0.00 175.26 174.90 3bg5 s GLY 702 N 1.49 2.28 -0.01 -1.50 0.00 -0.50 -0.27 107.32 108.81 3bg5 s GLY 702 Ca 0.02 -0.39 0.04 0.00 0.00 0.00 0.00 44.72 44.39 3bg5 s GLY 702 CO 0.02 0.34 -0.12 -1.59 0.00 0.00 0.00 173.10 171.75 3bg5 s THR 703 N 0.04 3.24 -0.10 0.90 2.01 -0.62 -0.59 115.64 120.52 3bg5 s THR 703 Ca 0.19 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 3bg5 s THR 703 Cb -0.14 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3bg5 s THR 703 CO 0.06 0.46 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.76 3bg5 s ILE 704 N -0.88 3.70 -0.18 1.82 1.01 -0.50 -4.70 121.20 121.48 3bg5 s ILE 704 Ca 0.14 -0.46 -0.12 0.00 0.00 0.00 0.00 60.65 60.22 3bg5 s ILE 704 Cb -0.11 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 3bg5 s ILE 704 CO 0.04 0.56 0.22 0.00 0.00 0.00 0.00 174.94 175.76 3bg5 s TYR 706 N 0.41 3.83 0.23 0.00 5.04 -0.63 -4.97 117.35 121.26 3bg5 s TYR 706 Ca 0.13 1.44 -0.04 0.00 -2.44 0.00 0.00 57.07 56.16 3bg5 s TYR 706 Cb -0.12 -2.66 -0.03 0.00 0.35 0.00 0.00 41.96 39.50 3bg5 s TYR 706 CO 0.01 0.50 0.27 0.99 -1.34 0.00 0.00 175.55 175.98 3bg5 s THR 707 N -0.90 0.00 0.00 4.34 2.01 -1.26 -4.60 115.64 115.22 3bg5 s THR 707 Ca 0.33 -1.80 0.00 0.00 0.31 0.00 0.00 61.69 60.53 3bg5 s THR 707 Cb -0.21 -2.43 0.00 0.00 0.01 0.00 0.00 72.50 69.87 3bg5 s THR 707 CO 0.22 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3bg5 n GLY 708 N -0.35 1.02 2.82 4.40 0.00 -1.26 -4.73 105.19 107.09 3bg5 n GLY 708 Ca 0.01 -0.62 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 3bg5 n GLY 708 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3bg5 s ASP 709 N -4.00 1.03 0.03 1.61 3.68 -1.26 -4.83 116.67 112.92 3bg5 s ASP 709 Ca 0.00 0.07 0.22 0.00 2.13 0.00 0.00 52.55 54.97 3bg5 s ASP 709 Cb 0.00 0.42 0.93 0.00 -1.45 0.00 0.00 42.92 42.82 3bg5 s ASP 709 CO 0.00 -0.29 1.70 2.30 0.13 0.00 0.00 175.17 179.01 3bg5 n ILE 710 N 5.33 0.52 1.02 4.11 -6.64 -1.26 -1.81 119.36 120.62 3bg5 n ILE 710 Ca -0.05 0.11 0.14 0.00 -1.77 0.00 0.00 62.75 61.17 3bg5 n ILE 710 Cb 0.50 -0.76 0.60 0.00 -1.44 0.00 0.00 39.64 38.53 3bg5 n ILE 710 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 3bg5 n LEU 711 N -1.58 0.03 -3.87 7.28 4.77 -1.26 -4.68 117.00 117.70 3bg5 n LEU 711 Ca 0.05 0.46 -0.30 0.00 -0.03 0.00 0.00 56.01 56.19 3bg5 n LEU 711 Cb 0.26 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.73 3bg5 n LEU 711 CO 0.21 0.01 -0.35 0.21 -1.33 0.00 0.00 177.39 176.14 3bg5 s ASN 712 N -2.98 4.24 0.47 -1.43 3.84 -0.75 -5.00 114.94 113.33 3bg5 s ASN 712 Ca 0.14 -1.73 0.13 0.00 0.21 0.00 0.00 52.86 51.61 3bg5 s ASN 712 Cb 0.19 -1.18 1.10 0.00 -0.55 0.00 0.00 41.25 40.80 3bg5 s ASN 712 CO 0.54 -0.37 2.10 1.55 -2.79 0.00 0.00 177.10 178.12 3bg5 h PRO 713 N 7.90 0.18 0.00 0.43 0.13 -1.83 -2.69 132.00 136.12 3bg5 h PRO 713 Ca -0.11 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3bg5 h PRO 713 Cb 1.03 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 3bg5 h PRO 713 CO 0.48 0.15 -0.07 0.93 -0.23 0.00 0.00 178.00 179.26 3bg5 h GLU 714 N 0.19 0.00 -0.18 0.86 5.08 -1.94 -3.19 114.58 115.40 3bg5 h GLU 714 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3bg5 h GLU 714 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3bg5 h GLU 714 CO -0.01 0.07 0.07 -0.09 -1.00 0.00 0.00 179.01 178.05 3bg5 h ARG 715 N 0.00 0.28 -1.90 2.33 9.65 -1.79 -3.46 114.38 119.49 3bg5 h ARG 715 Ca -0.00 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 3bg5 h ARG 715 Cb 0.82 -0.04 -0.22 0.00 -1.39 0.00 0.00 29.97 29.14 3bg5 h ARG 715 CO 0.01 0.36 0.20 0.45 2.80 0.00 0.00 179.97 183.80 3bg5 s SER 716 N -5.61 -0.69 -0.22 -3.80 0.15 -1.20 -5.01 113.70 97.33 3bg5 s SER 716 Ca -0.14 1.31 0.15 0.00 0.70 0.00 0.00 55.95 57.98 3bg5 s SER 716 Cb 0.07 1.33 0.76 0.00 -1.71 0.00 0.00 66.02 66.47 3bg5 s SER 716 CO 0.71 -0.23 1.68 -0.46 1.20 0.00 0.00 173.24 176.14 3bg5 n ASN 717 N 2.66 5.32 -0.06 5.45 2.04 -1.26 -4.53 115.26 124.87 3bg5 n ASN 717 Ca -0.14 -2.90 -0.08 0.00 -0.44 0.00 0.00 54.58 51.02 3bg5 n ASN 717 Cb 0.55 -0.65 -0.03 0.00 -2.53 0.00 0.00 39.78 37.13 3bg5 n ASN 717 CO 0.00 0.00 0.00 -0.38 -0.44 0.00 0.00 177.26 176.44 3bg5 n ILE 717 N 0.46 1.40 -2.54 1.53 -0.00 -1.26 -4.83 119.36 114.13 3bg5 n ILE 717 Ca 0.26 0.17 -0.43 0.00 -0.00 0.00 0.00 62.75 62.75 3bg5 n ILE 717 Cb 1.12 -2.12 0.00 0.00 -0.00 0.00 0.00 39.64 38.64 3bg5 n ILE 717 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3bg5 n TYR 718 N -4.18 4.22 -3.43 1.39 4.02 -1.26 -4.57 117.16 113.34 3bg5 n TYR 718 Ca -0.13 -3.04 -0.21 0.00 -0.01 0.00 0.00 57.90 54.51 3bg5 n TYR 718 Cb 0.42 -2.30 -0.01 0.00 -0.02 0.00 0.00 39.34 37.42 3bg5 n TYR 718 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3bg5 s THR 719 N 2.21 2.54 0.28 -0.72 2.01 -1.26 -4.58 115.64 116.12 3bg5 s THR 719 Ca 0.46 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3bg5 s THR 719 Cb 0.04 -2.79 0.27 0.00 0.01 0.00 0.00 72.50 70.03 3bg5 s THR 719 CO 0.01 0.00 1.77 0.25 -0.69 0.00 0.00 174.62 175.96 3bg5 h LEU 720 N 0.82 0.65 -1.02 4.42 5.85 -1.92 -1.68 115.31 122.42 3bg5 h LEU 720 Ca -0.39 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 3bg5 h LEU 720 Cb 1.28 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3bg5 h LEU 720 CO 0.53 0.26 -0.06 -0.08 -0.34 0.00 0.00 178.44 178.75 3bg5 h GLU 721 N 0.70 0.63 -0.36 1.25 4.57 -1.94 -2.57 114.58 116.86 3bg5 h GLU 721 Ca 0.51 -0.17 0.05 0.00 -1.18 0.00 0.00 59.36 58.57 3bg5 h GLU 721 Cb 0.74 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 3bg5 h GLU 721 CO -0.37 0.69 0.09 -0.92 -1.18 0.00 0.00 179.01 177.33 3bg5 h TYR 722 N 0.59 0.16 -0.26 0.92 3.20 -1.56 -2.68 116.97 117.35 3bg5 h TYR 722 Ca 0.11 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.83 3bg5 h TYR 722 Cb 0.46 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 3bg5 h TYR 722 CO 0.02 0.05 -0.52 1.88 -1.64 0.00 0.00 178.16 177.95 3bg5 h TYR 723 N 0.23 0.93 -0.56 -3.82 -1.99 -1.25 -2.58 116.97 107.92 3bg5 h TYR 723 Ca 0.17 -0.32 -0.04 0.00 2.00 0.00 0.00 58.73 60.54 3bg5 h TYR 723 Cb 0.18 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 3bg5 h TYR 723 CO -0.17 1.11 0.19 0.28 -0.00 0.00 0.00 178.16 179.57 3bg5 h VAL 724 N 0.58 1.23 -0.64 -2.88 2.07 -1.38 0.23 116.25 115.46 3bg5 h VAL 724 Ca 0.02 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.69 3bg5 h VAL 724 Cb 1.10 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3bg5 h VAL 724 CO 0.11 0.29 0.09 0.50 0.02 0.00 0.00 177.57 178.59 3bg5 h LYS 725 N 0.78 1.05 -0.26 1.57 3.64 -1.46 -1.59 116.57 120.30 3bg5 h LYS 725 Ca 0.18 -0.28 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 3bg5 h LYS 725 Cb 0.26 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3bg5 h LYS 725 CO -0.01 0.97 -0.52 1.25 -2.27 0.00 0.00 179.45 178.87 3bg5 h LEU 726 N 0.98 0.82 0.27 5.20 5.85 -1.03 -1.84 115.31 125.56 3bg5 h LEU 726 Ca 0.19 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3bg5 h LEU 726 Cb 0.43 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.23 3bg5 h LEU 726 CO 0.01 1.18 -0.13 0.00 -0.34 0.00 0.00 178.44 179.17 3bg5 h ALA 727 N 0.84 -0.36 -0.92 1.25 0.00 -0.44 -2.42 119.26 117.20 3bg5 h ALA 727 Ca 0.02 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 54.93 3bg5 h ALA 727 Cb 1.09 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 3bg5 h ALA 727 CO 0.11 -0.62 0.59 0.87 0.00 0.00 0.00 179.25 180.20 3bg5 h LYS 728 N -0.52 0.75 -0.56 0.00 1.57 -1.26 0.69 116.57 117.24 3bg5 h LYS 728 Ca -0.04 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 3bg5 h LYS 728 Cb 0.39 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 3bg5 h LYS 728 CO 0.06 0.50 0.27 1.49 -0.57 0.00 0.00 179.45 181.20 3bg5 h GLU 729 N 0.77 0.81 0.00 3.15 4.81 -1.26 -2.72 114.58 120.15 3bg5 h GLU 729 Ca 0.46 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 3bg5 h GLU 729 Cb 0.67 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 3bg5 h GLU 729 CO -0.23 0.66 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.61 3bg5 h LEU 730 N 0.76 0.00 -0.08 1.64 3.38 -0.38 -2.96 115.31 117.67 3bg5 h LEU 730 Ca 0.19 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 3bg5 h LEU 730 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3bg5 h LEU 730 CO -0.02 0.03 -0.79 -0.08 0.09 0.00 0.00 178.44 177.67 3bg5 h GLU 731 N 0.00 0.69 0.00 1.13 4.81 -1.02 -3.21 114.58 116.98 3bg5 h GLU 731 Ca -0.00 -0.63 -0.05 0.00 -0.13 0.00 0.00 59.36 58.55 3bg5 h GLU 731 Cb 0.38 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3bg5 h GLU 731 CO 0.00 1.23 -0.26 0.00 -0.73 0.00 0.00 179.01 179.25 3bg5 h ARG 732 N 0.36 0.00 0.00 1.92 3.08 -1.45 -1.71 114.38 116.58 3bg5 h ARG 732 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3bg5 h ARG 732 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.49 3bg5 h ARG 732 CO 0.16 0.26 0.00 0.39 -1.07 0.00 0.00 179.97 179.71 3bg5 n GLU 733 N -4.10 0.42 -2.09 0.04 -0.58 -1.20 -4.89 120.64 108.23 3bg5 n GLU 733 Ca -0.02 0.06 -0.07 0.00 -0.42 0.00 0.00 57.16 56.71 3bg5 n GLU 733 Cb 0.32 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 29.69 3bg5 n GLU 733 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3bg5 n GLY 734 N 0.52 0.12 3.77 0.62 0.00 -0.64 -5.01 105.19 104.56 3bg5 n GLY 734 Ca 0.12 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3bg5 n GLY 734 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 735 N -2.34 2.80 0.14 1.61 0.40 -1.21 -4.94 117.98 114.43 3bg5 s PHE 735 Ca 0.00 1.31 0.05 0.00 -0.60 0.00 0.00 56.93 57.69 3bg5 s PHE 735 Cb 0.00 -3.82 -0.12 0.00 0.51 0.00 0.00 43.02 39.58 3bg5 s PHE 735 CO 0.00 -2.39 1.31 0.45 0.70 0.00 0.00 175.22 175.29 3bg5 h HIS 736 N 3.06 0.10 -3.84 0.36 3.86 -0.80 -3.46 115.15 114.43 3bg5 h HIS 736 Ca -0.50 -0.07 -0.29 0.00 -1.16 0.00 0.00 60.37 58.36 3bg5 h HIS 736 Cb 1.24 -0.01 -0.28 0.00 1.06 0.00 0.00 27.41 29.42 3bg5 h HIS 736 CO 0.54 0.99 -0.74 0.42 0.86 0.00 0.00 177.93 180.00 3bg5 s ILE 737 N -2.88 0.25 -0.15 2.45 1.01 -1.11 -4.43 121.20 116.34 3bg5 s ILE 737 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.32 3bg5 s ILE 737 Cb 0.10 -0.22 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 3bg5 s ILE 737 CO 0.82 0.05 0.39 -0.22 0.00 0.00 0.00 174.94 175.99 3bg5 s LEU 738 N -0.12 4.23 -0.05 2.97 2.96 -0.50 -1.41 118.68 126.76 3bg5 s LEU 738 Ca 0.01 0.63 0.03 0.00 -0.22 0.00 0.00 54.13 54.59 3bg5 s LEU 738 Cb -0.01 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.11 3bg5 s LEU 738 CO -0.00 0.02 -0.14 0.00 -1.32 0.00 0.00 176.35 174.90 3bg5 s ALA 739 N 0.73 2.65 -0.40 5.97 0.00 0.24 0.54 121.76 131.49 3bg5 s ALA 739 Ca 0.21 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 3bg5 s ALA 739 Cb -0.14 -0.97 0.10 0.00 0.00 0.00 0.00 23.12 22.10 3bg5 s ALA 739 CO 0.07 0.54 0.19 0.42 0.00 0.00 0.00 175.76 176.99 3bg5 s ILE 740 N -0.68 3.47 -0.57 0.00 -1.09 -0.10 -1.41 121.20 120.82 3bg5 s ILE 740 Ca 0.10 -1.82 -0.20 0.00 -2.23 0.00 0.00 60.65 56.51 3bg5 s ILE 740 Cb -0.11 -3.27 0.08 0.00 -1.58 0.00 0.00 42.46 37.59 3bg5 s ILE 740 CO 0.01 -0.58 0.73 -0.75 -1.23 0.00 0.00 174.94 173.12 3bg5 s LYS 741 N 1.22 3.09 -1.22 2.79 2.20 -0.58 -0.52 119.74 126.73 3bg5 s LYS 741 Ca 0.05 -1.07 -0.09 0.00 -0.36 0.00 0.00 55.97 54.49 3bg5 s LYS 741 Cb -0.23 -4.20 0.20 0.00 -1.51 0.00 0.00 37.83 32.10 3bg5 s LYS 741 CO -0.02 -1.48 1.64 -3.47 -0.36 0.00 0.00 175.35 171.65 3bg5 n ASP 742 N 6.54 5.39 0.02 1.43 2.03 0.16 -1.60 116.55 130.51 3bg5 n ASP 742 Ca -0.07 -3.13 0.12 0.00 0.52 0.00 0.00 54.79 52.23 3bg5 n ASP 742 Cb 0.44 -1.46 0.56 0.00 -0.72 0.00 0.00 41.12 39.94 3bg5 n ASP 742 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bg5 h MET 743 N 6.10 0.25 -0.53 -0.67 -0.00 -1.81 -2.32 114.93 115.95 3bg5 h MET 743 Ca 0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 60.01 3bg5 h MET 743 Cb 0.70 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.25 3bg5 h MET 743 CO 1.43 0.17 0.00 0.00 -0.00 0.00 0.00 176.91 178.51 3bg5 n ALA 744 N -2.54 2.36 -2.83 -3.00 0.00 -1.26 -0.53 120.51 112.71 3bg5 n ALA 744 Ca 0.06 -1.29 -0.21 0.00 0.00 0.00 0.00 53.44 52.00 3bg5 n ALA 744 Cb 0.32 -0.70 0.02 0.00 0.00 0.00 0.00 19.45 19.10 3bg5 n ALA 744 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 745 N 1.00 -0.45 0.14 0.00 0.00 -0.88 -4.76 105.19 100.25 3bg5 n GLY 745 Ca 0.19 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.37 3bg5 n GLY 745 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bg5 h LEU 746 N -1.00 0.00 -8.13 0.99 3.38 -1.88 -3.41 115.31 105.25 3bg5 h LEU 746 Ca -0.50 -0.04 -0.44 0.00 0.09 0.00 0.00 57.88 57.00 3bg5 h LEU 746 Cb 1.35 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 3bg5 h LEU 746 CO 0.54 0.02 1.17 -0.22 0.09 0.00 0.00 178.44 180.04 3bg5 s LEU 747 N -5.29 3.33 0.43 1.67 2.96 -1.26 -4.91 118.68 115.60 3bg5 s LEU 747 Ca 0.06 -1.20 -0.23 0.00 -0.22 0.00 0.00 54.13 52.55 3bg5 s LEU 747 Cb 0.09 -2.57 -0.12 0.00 0.50 0.00 0.00 46.19 44.10 3bg5 s LEU 747 CO 0.69 -2.19 0.68 0.29 -1.32 0.00 0.00 176.35 174.49 3bg5 n LYS 748 N 8.78 0.77 -0.18 1.98 4.01 -1.26 -4.69 118.16 127.58 3bg5 n LYS 748 Ca 0.39 0.28 -0.02 0.00 -0.51 0.00 0.00 58.31 58.45 3bg5 n LYS 748 Cb 0.48 -1.66 0.06 0.00 -0.51 0.00 0.00 35.03 33.40 3bg5 n LYS 748 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 3bg5 h PRO 749 N 0.96 0.04 -0.62 1.97 0.11 -1.88 -0.93 132.00 131.66 3bg5 h PRO 749 Ca -0.42 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3bg5 h PRO 749 Cb 1.38 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.45 3bg5 h PRO 749 CO 0.53 0.03 0.22 -0.22 -0.21 0.00 0.00 178.00 178.34 3bg5 h LYS 750 N 0.04 0.91 -0.62 1.05 3.11 -1.93 -2.80 116.57 116.33 3bg5 h LYS 750 Ca 0.27 -0.16 -0.04 0.00 -2.81 0.00 0.00 60.65 57.91 3bg5 h LYS 750 Cb 0.42 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 3bg5 h LYS 750 CO -0.52 0.77 0.22 0.00 -2.81 0.00 0.00 179.45 177.11 3bg5 h ALA 751 N 1.34 1.21 -0.57 5.00 0.00 -1.54 -1.84 119.26 122.87 3bg5 h ALA 751 Ca 0.21 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3bg5 h ALA 751 Cb 0.22 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3bg5 h ALA 751 CO -0.01 0.56 0.17 0.00 0.00 0.00 0.00 179.25 179.97 3bg5 h ALA 752 N 1.33 0.74 0.57 0.00 0.00 -1.10 0.52 119.26 121.33 3bg5 h ALA 752 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3bg5 h ALA 752 Cb 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3bg5 h ALA 752 CO -0.01 0.41 -0.29 -0.92 0.00 0.00 0.00 179.25 178.44 3bg5 h TYR 753 N 0.80 -0.76 -0.96 0.00 3.20 -1.42 0.13 116.97 117.96 3bg5 h TYR 753 Ca 0.18 -0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.10 3bg5 h TYR 753 Cb 0.29 0.26 -0.06 0.00 1.54 0.00 0.00 36.73 38.76 3bg5 h TYR 753 CO 0.02 -0.46 0.62 0.93 -1.64 0.00 0.00 178.16 177.63 3bg5 h GLU 754 N -0.79 1.08 0.03 1.82 5.08 -1.19 -1.94 114.58 118.67 3bg5 h GLU 754 Ca -0.07 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3bg5 h GLU 754 Cb 0.62 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3bg5 h GLU 754 CO 0.11 0.71 -0.02 1.25 -1.00 0.00 0.00 179.01 180.07 3bg5 h LEU 755 N 1.11 -0.04 -0.37 1.33 5.85 0.32 -3.01 115.31 120.50 3bg5 h LEU 755 Ca 0.41 -0.59 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3bg5 h LEU 755 Cb 0.19 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3bg5 h LEU 755 CO -0.16 0.59 0.12 0.40 -0.34 0.00 0.00 178.44 179.06 3bg5 h ILE 756 N -0.69 1.21 -0.55 4.05 5.03 -0.75 -2.62 117.51 123.19 3bg5 h ILE 756 Ca -0.00 -0.67 0.11 0.00 -0.12 0.00 0.00 64.86 64.18 3bg5 h ILE 756 Cb 0.62 0.95 -0.10 0.00 -3.03 0.00 0.00 36.82 35.26 3bg5 h ILE 756 CO 0.01 0.24 -0.05 1.23 -0.68 0.00 0.00 178.15 178.89 3bg5 h GLY 757 N 0.46 0.52 0.86 5.37 0.00 -1.45 0.21 103.07 109.03 3bg5 h GLY 757 Ca 0.12 0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 3bg5 h GLY 757 CO -0.01 -0.19 0.01 0.83 0.00 0.00 0.00 176.54 177.19 3bg5 h GLU 758 N 0.07 0.04 -0.47 4.80 4.39 -1.45 -3.11 114.58 118.85 3bg5 h GLU 758 Ca 0.28 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 3bg5 h GLU 758 Cb 0.44 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 3bg5 h GLU 758 CO -0.51 0.18 0.27 -0.07 -1.16 0.00 0.00 179.01 177.73 3bg5 h LEU 759 N -0.10 0.58 -2.27 1.33 3.38 -1.07 -1.45 115.31 115.71 3bg5 h LEU 759 Ca 0.01 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3bg5 h LEU 759 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3bg5 h LEU 759 CO -0.00 0.48 0.22 0.50 0.09 0.00 0.00 178.44 179.72 3bg5 h LYS 760 N 0.63 0.00 -0.25 1.13 1.63 -0.56 0.31 116.57 119.45 3bg5 h LYS 760 Ca 0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3bg5 h LYS 760 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 3bg5 h LYS 760 CO -0.03 0.00 0.00 -1.13 -3.45 0.00 0.00 179.45 174.84 3bg5 n SER 761 N -3.56 2.72 -0.09 4.20 3.41 -0.98 -4.51 113.62 114.82 3bg5 n SER 761 Ca 0.01 -2.05 -0.11 0.00 -0.26 0.00 0.00 58.87 56.46 3bg5 n SER 761 Cb 0.32 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.97 3bg5 n SER 761 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bg5 n ALA 762 N 0.19 1.58 -2.39 7.33 0.00 0.91 -5.02 120.51 123.10 3bg5 n ALA 762 Ca 0.09 -1.02 -0.14 0.00 0.00 0.00 0.00 53.44 52.37 3bg5 n ALA 762 Cb 0.40 -0.06 -0.11 0.00 0.00 0.00 0.00 19.45 19.69 3bg5 n ALA 762 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3bg5 s VAL 763 N -2.41 0.98 -0.97 0.00 -7.23 -0.16 -4.87 120.40 105.74 3bg5 s VAL 763 Ca -0.16 -1.78 0.27 0.00 -1.81 0.00 0.00 61.98 58.50 3bg5 s VAL 763 Cb 0.06 -1.52 0.13 0.00 0.56 0.00 0.00 36.38 35.60 3bg5 s VAL 763 CO 0.60 -0.64 1.67 0.47 -0.31 0.00 0.00 175.10 176.89 3bg5 n ASP 765 N 0.30 0.29 -4.77 4.85 10.43 -1.26 -4.59 116.55 121.80 3bg5 n ASP 765 Ca -0.14 0.16 -0.39 0.00 2.57 0.00 0.00 54.79 56.98 3bg5 n ASP 765 Cb 0.59 -0.15 -0.01 0.00 1.84 0.00 0.00 41.12 43.39 3bg5 n ASP 765 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3bg5 s LEU 766 N -3.14 4.25 0.26 0.64 1.02 -1.26 -4.98 118.68 115.47 3bg5 s LEU 766 Ca 0.12 2.60 -0.29 0.00 0.02 0.00 0.00 54.13 56.58 3bg5 s LEU 766 Cb 0.18 -3.88 -0.09 0.00 0.02 0.00 0.00 46.19 42.42 3bg5 s LEU 766 CO 0.62 -0.76 1.20 -2.84 0.02 0.00 0.00 176.35 174.59 3bg5 s PRO 767 N -2.16 4.51 -0.24 1.29 0.02 -1.26 -4.72 135.00 132.43 3bg5 s PRO 767 Ca 0.55 1.94 -0.09 0.00 0.02 0.00 0.00 61.00 63.43 3bg5 s PRO 767 Cb -0.37 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 3bg5 s PRO 767 CO 0.48 -0.01 0.11 0.42 -0.33 0.00 0.00 177.00 177.66 3bg5 s ILE 768 N -0.72 4.75 -0.40 2.83 1.01 -1.26 -1.41 121.20 126.00 3bg5 s ILE 768 Ca 0.49 -0.03 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 3bg5 s ILE 768 Cb -0.34 -3.22 0.05 0.00 0.01 0.00 0.00 42.46 38.96 3bg5 s ILE 768 CO 0.42 0.34 0.23 -2.28 0.00 0.00 0.00 174.94 173.66 3bg5 s HIS 769 N 1.37 3.28 -0.17 3.97 2.46 0.19 -2.18 115.29 124.22 3bg5 s HIS 769 Ca 0.06 -1.24 -0.14 0.00 0.47 0.00 0.00 55.06 54.21 3bg5 s HIS 769 Cb -0.15 -2.70 -0.05 0.00 -0.13 0.00 0.00 32.58 29.56 3bg5 s HIS 769 CO 0.05 -0.75 0.29 -1.17 -2.47 0.00 0.00 174.74 170.69 3bg5 s LEU 770 N 1.49 4.23 -0.11 8.88 2.96 -0.21 -0.92 118.68 134.99 3bg5 s LEU 770 Ca 0.02 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.43 3bg5 s LEU 770 Cb -0.21 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.13 3bg5 s LEU 770 CO 0.04 0.08 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.73 3bg5 s HIS 771 N 0.56 1.99 0.17 5.38 5.65 0.32 -2.16 115.29 127.20 3bg5 s HIS 771 Ca 0.16 -0.95 -0.01 0.00 0.25 0.00 0.00 55.06 54.52 3bg5 s HIS 771 Cb -0.13 -1.44 -0.04 0.00 -1.18 0.00 0.00 32.58 29.79 3bg5 s HIS 771 CO 0.04 -0.49 0.08 -0.08 -0.65 0.00 0.00 174.74 173.64 3bg5 s THR 772 N 1.02 0.11 0.19 0.89 -1.32 -1.26 0.36 115.64 115.62 3bg5 s THR 772 Ca -0.06 -1.95 0.08 0.00 -1.21 0.00 0.00 61.69 58.55 3bg5 s THR 772 Cb -0.15 -2.25 -0.04 0.00 -1.51 0.00 0.00 72.50 68.55 3bg5 s THR 772 CO -0.02 -0.26 -0.02 -1.00 -2.21 0.00 0.00 174.62 171.10 3bg5 s HIS 773 N -4.06 2.77 -1.04 9.09 3.76 -1.21 -4.38 115.29 120.22 3bg5 s HIS 773 Ca 0.31 -0.17 0.13 0.00 -0.15 0.00 0.00 55.06 55.18 3bg5 s HIS 773 Cb 0.07 -1.33 0.58 0.00 1.11 0.00 0.00 32.58 33.02 3bg5 s HIS 773 CO 0.06 0.53 1.44 -3.47 -0.85 0.00 0.00 174.74 172.46 3bg5 n ASP 774 N -0.21 4.02 -0.33 1.40 4.64 0.18 -4.30 116.55 121.94 3bg5 n ASP 774 Ca -0.09 -2.43 0.09 0.00 -1.38 0.00 0.00 54.79 50.97 3bg5 n ASP 774 Cb 0.56 -0.54 0.26 0.00 -1.04 0.00 0.00 41.12 40.35 3bg5 n ASP 774 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 3bg5 h THR 775 N 3.17 0.77 0.00 5.18 2.02 -1.14 0.33 112.91 123.24 3bg5 h THR 775 Ca 0.00 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3bg5 h THR 775 Cb 1.30 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3bg5 h THR 775 CO 0.23 0.14 -0.29 0.77 0.37 0.00 0.00 175.52 176.74 3bg5 h SER 776 N 0.76 0.00 0.00 4.18 4.64 -1.80 0.12 113.55 121.45 3bg5 h SER 776 Ca 0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3bg5 h SER 776 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3bg5 h SER 776 CO -0.34 0.29 0.00 0.61 -0.87 0.00 0.00 176.83 176.52 3bg5 n GLY 777 N -0.62 0.55 1.16 -0.77 0.00 0.11 -4.14 105.19 101.48 3bg5 n GLY 777 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3bg5 n GLY 777 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bg5 n ASN 778 N 0.00 3.67 -0.14 1.61 5.03 -1.26 -4.70 115.26 119.47 3bg5 n ASN 778 Ca 0.00 -2.00 -0.04 0.00 0.87 0.00 0.00 54.58 53.42 3bg5 n ASN 778 Cb 0.00 -0.41 0.03 0.00 -1.02 0.00 0.00 39.78 38.38 3bg5 n ASN 778 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3bg5 h GLY 779 N 3.69 0.38 0.89 7.41 0.00 -1.82 -0.65 103.07 112.96 3bg5 h GLY 779 Ca 0.00 0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.47 3bg5 h GLY 779 CO 0.00 -0.15 0.44 1.41 0.00 0.00 0.00 176.54 178.24 3bg5 h LEU 780 N 0.04 0.73 -0.35 3.11 3.38 -1.96 -1.21 115.31 119.06 3bg5 h LEU 780 Ca 0.22 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.20 3bg5 h LEU 780 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3bg5 h LEU 780 CO -0.42 0.51 0.21 -0.07 0.09 0.00 0.00 178.44 178.76 3bg5 h LEU 781 N 0.87 0.35 -0.61 1.67 3.38 -1.73 0.30 115.31 119.53 3bg5 h LEU 781 Ca 0.28 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.32 3bg5 h LEU 781 Cb 0.00 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 3bg5 h LEU 781 CO -0.10 0.25 0.30 0.74 0.09 0.00 0.00 178.44 179.72 3bg5 h THR 782 N 0.43 0.90 -0.40 0.22 2.02 -0.69 -0.51 112.91 114.88 3bg5 h THR 782 Ca 0.13 -0.19 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 3bg5 h THR 782 Cb -0.01 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3bg5 h THR 782 CO -0.05 0.10 0.01 1.88 0.37 0.00 0.00 175.52 177.83 3bg5 h TYR 783 N 0.55 0.77 -0.94 3.16 0.99 -1.02 0.19 116.97 120.67 3bg5 h TYR 783 Ca 0.29 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 3bg5 h TYR 783 Cb 0.24 -0.20 -0.05 0.00 1.00 0.00 0.00 36.73 37.72 3bg5 h TYR 783 CO -0.11 0.78 0.56 -0.22 -0.00 0.00 0.00 178.16 179.17 3bg5 h LYS 784 N 0.54 1.28 -0.21 4.88 3.11 -0.52 0.32 116.57 125.97 3bg5 h LYS 784 Ca 0.12 -0.12 -0.18 0.00 -2.81 0.00 0.00 60.65 57.66 3bg5 h LYS 784 Cb 0.46 -0.27 -0.00 0.00 -1.00 0.00 0.00 32.23 31.42 3bg5 h LYS 784 CO 0.02 0.90 -0.59 1.96 -2.81 0.00 0.00 179.45 178.93 3bg5 h GLN 785 N 1.30 0.69 -0.08 1.90 1.08 -1.00 -2.40 115.11 116.60 3bg5 h GLN 785 Ca 0.34 -0.46 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 3bg5 h GLN 785 Cb -0.05 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 3bg5 h GLN 785 CO -0.06 1.08 -0.02 0.00 -0.95 0.00 0.00 178.83 178.87 3bg5 h ALA 786 N 0.82 0.05 -0.73 3.87 0.00 0.35 -2.28 119.26 121.33 3bg5 h ALA 786 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3bg5 h ALA 786 Cb 1.17 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3bg5 h ALA 786 CO 0.12 -0.49 0.48 0.82 0.00 0.00 0.00 179.25 180.18 3bg5 h ILE 787 N -0.00 1.01 -0.44 0.00 2.04 -0.38 -2.15 117.51 117.60 3bg5 h ILE 787 Ca 0.04 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 3bg5 h ILE 787 Cb 0.06 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 3bg5 h ILE 787 CO -0.08 0.14 -0.11 0.44 0.00 0.00 0.00 178.15 178.53 3bg5 h ASP 788 N 0.75 0.78 0.15 1.72 3.32 -0.92 -2.62 116.42 119.60 3bg5 h ASP 788 Ca 0.32 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3bg5 h ASP 788 Cb 0.28 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3bg5 h ASP 788 CO -0.11 0.91 -0.00 0.00 -1.72 0.00 0.00 179.24 178.32 3bg5 n ALA 789 N -2.49 2.64 0.00 3.45 0.00 -0.85 -4.90 120.51 118.36 3bg5 n ALA 789 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3bg5 n ALA 789 Cb 0.37 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3bg5 n ALA 789 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bg5 n GLY 790 N 1.09 1.18 3.60 0.00 0.00 -0.99 -4.24 105.19 105.83 3bg5 n GLY 790 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 3bg5 n GLY 790 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3bg5 n VAL 791 N -1.53 3.48 -0.12 1.61 3.14 -0.95 -4.96 118.33 119.01 3bg5 n VAL 791 Ca 0.00 -0.50 -0.25 0.00 -2.96 0.00 0.00 64.34 60.63 3bg5 n VAL 791 Cb 0.00 -1.10 -0.10 0.00 -1.06 0.00 0.00 33.84 31.58 3bg5 n VAL 791 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3bg5 n ASP 792 N -0.57 1.92 -4.16 6.55 8.00 -0.92 -4.84 116.55 122.52 3bg5 n ASP 792 Ca 0.13 0.38 -0.22 0.00 0.71 0.00 0.00 54.79 55.79 3bg5 n ASP 792 Cb 0.47 -0.87 -0.14 0.00 -0.02 0.00 0.00 41.12 40.56 3bg5 n ASP 792 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3bg5 s ILE 793 N -2.47 1.26 0.12 0.53 1.01 -1.01 -1.78 121.20 118.85 3bg5 s ILE 793 Ca -0.34 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 59.45 3bg5 s ILE 793 Cb 0.11 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 3bg5 s ILE 793 CO 0.51 0.15 -0.17 0.27 0.00 0.00 0.00 174.94 175.71 3bg5 s ILE 794 N -0.68 1.51 -0.25 2.92 -5.25 -0.21 -1.05 121.20 118.18 3bg5 s ILE 794 Ca 0.04 -1.64 -0.19 0.00 -0.99 0.00 0.00 60.65 57.87 3bg5 s ILE 794 Cb -0.07 -1.53 -0.02 0.00 2.95 0.00 0.00 42.46 43.78 3bg5 s ILE 794 CO 0.01 -0.26 0.58 -1.81 -1.79 0.00 0.00 174.94 171.67 3bg5 s ASP 795 N -2.23 6.53 0.22 4.36 1.11 -0.92 -0.61 116.67 125.13 3bg5 s ASP 795 Ca 0.08 0.65 0.05 0.00 0.18 0.00 0.00 52.55 53.51 3bg5 s ASP 795 Cb -0.07 -2.32 -0.05 0.00 1.07 0.00 0.00 42.92 41.55 3bg5 s ASP 795 CO 0.04 -0.33 -0.07 0.42 1.18 0.00 0.00 175.17 176.41 3bg5 s THR 796 N 2.35 1.38 0.25 -1.27 -4.23 -0.56 -4.61 115.64 108.95 3bg5 s THR 796 Ca 0.24 -2.10 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 3bg5 s THR 796 Cb -0.16 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 3bg5 s THR 796 CO 0.09 -0.48 -0.19 0.00 -0.54 0.00 0.00 174.62 173.50 3bg5 s ALA 797 N -3.19 2.53 0.55 3.99 0.00 -0.98 -1.47 121.76 123.20 3bg5 s ALA 797 Ca 0.25 -1.78 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 3bg5 s ALA 797 Cb 0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.87 3bg5 s ALA 797 CO 0.07 0.25 1.25 0.08 0.00 0.00 0.00 175.76 177.42 3bg5 s VAL 798 N -2.47 2.52 0.25 0.00 1.01 -1.26 -0.50 120.40 119.95 3bg5 s VAL 798 Ca 0.26 0.36 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 3bg5 s VAL 798 Cb -0.05 -3.16 0.29 0.00 0.00 0.00 0.00 36.38 33.46 3bg5 s VAL 798 CO 0.12 -0.04 1.63 0.00 0.00 0.00 0.00 175.10 176.81 3bg5 h ALA 799 N 1.30 0.78 0.00 5.51 0.00 -1.92 0.15 119.26 125.07 3bg5 h ALA 799 Ca -0.50 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3bg5 h ALA 799 Cb 1.29 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3bg5 h ALA 799 CO 0.57 -0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 3bg5 n SER 800 N -5.37 0.00 -0.12 0.00 3.41 -1.26 -2.16 113.62 108.12 3bg5 n SER 800 Ca 0.14 -0.28 0.07 0.00 -0.26 0.00 0.00 58.87 58.53 3bg5 n SER 800 Cb 0.48 -0.22 0.10 0.00 -0.26 0.00 0.00 64.21 64.31 3bg5 n SER 800 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3bg5 n MET 801 N -1.22 1.27 -3.80 4.33 2.00 0.36 -4.76 117.12 115.29 3bg5 n MET 801 Ca 0.15 -2.16 -0.23 0.00 0.00 0.00 0.00 57.70 55.46 3bg5 n MET 801 Cb 0.19 -1.27 -0.05 0.00 0.00 0.00 0.00 33.22 32.10 3bg5 n MET 801 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3bg5 s SER 802 N -2.30 4.78 0.00 7.83 1.04 -0.18 -4.69 113.70 120.18 3bg5 s SER 802 Ca 0.23 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.76 3bg5 s SER 802 Cb 0.20 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.82 3bg5 s SER 802 CO 0.02 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.23 3bg5 n GLY 803 N -1.43 -0.62 7.00 7.32 0.00 -0.48 -4.85 105.19 112.13 3bg5 n GLY 803 Ca 0.02 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3bg5 n GLY 803 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg5 n LEU 804 N -1.42 0.00 0.00 0.99 4.77 -1.26 -0.97 117.00 119.10 3bg5 n LEU 804 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3bg5 n LEU 804 Cb 0.00 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.68 3bg5 n LEU 804 CO 0.00 0.00 0.88 0.35 -1.33 0.00 0.00 177.39 177.29 3bg5 n THR 805 N 0.00 0.25 -2.37 -5.08 -2.24 -1.26 -0.70 114.28 102.87 3bg5 n THR 805 Ca 0.00 0.06 -0.04 0.00 -2.27 0.00 0.00 64.05 61.81 3bg5 n THR 805 Cb 0.00 -0.68 0.02 0.00 -2.10 0.00 0.00 70.33 67.57 3bg5 n THR 805 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3bg5 n SER 806 N -1.27 0.23 -4.91 3.42 2.88 -0.15 -4.47 113.62 109.36 3bg5 n SER 806 Ca 0.11 -1.19 -0.28 0.00 -1.33 0.00 0.00 58.87 56.19 3bg5 n SER 806 Cb 0.18 -0.10 0.04 0.00 -0.75 0.00 0.00 64.21 63.58 3bg5 n SER 806 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bg5 s GLN 807 N -2.77 2.86 0.79 -1.46 0.00 -1.26 0.49 119.66 118.31 3bg5 s GLN 807 Ca 0.11 0.16 -0.14 0.00 -0.00 0.00 0.00 55.36 55.48 3bg5 s GLN 807 Cb -0.01 -2.17 0.05 0.00 0.00 0.00 0.00 33.01 30.88 3bg5 s GLN 807 CO 0.07 -0.85 1.01 -2.30 0.00 0.00 0.00 175.29 173.22 3bg5 n PRO 808 N -2.76 0.22 -2.23 9.60 -0.02 -1.26 -1.38 135.00 137.17 3bg5 n PRO 808 Ca 0.06 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.25 3bg5 n PRO 808 Cb 0.58 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 3bg5 n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3bg5 s SER 809 N -1.94 6.58 0.25 2.55 0.15 -1.26 -2.31 113.70 117.72 3bg5 s SER 809 Ca 0.71 1.60 -0.03 0.00 0.70 0.00 0.00 55.95 58.92 3bg5 s SER 809 Cb -0.30 -2.54 0.50 0.00 -1.71 0.00 0.00 66.02 61.97 3bg5 s SER 809 CO 0.53 -1.09 1.70 0.00 1.20 0.00 0.00 173.24 175.58 3bg5 h ALA 810 N 9.81 1.07 0.00 5.45 0.00 -1.11 0.00 119.26 134.49 3bg5 h ALA 810 Ca -0.31 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3bg5 h ALA 810 Cb 1.13 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3bg5 h ALA 810 CO 1.00 -0.29 -0.00 -0.91 0.00 0.00 0.00 179.25 179.05 3bg5 h ASN 811 N 0.36 -0.00 -0.43 0.00 2.35 -1.92 -0.46 115.58 115.48 3bg5 h ASN 811 Ca 0.44 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3bg5 h ASN 811 Cb 0.73 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 3bg5 h ASN 811 CO -0.47 0.05 0.27 0.28 -1.65 0.00 0.00 177.43 175.90 3bg5 h SER 812 N -0.05 0.50 -0.55 5.81 0.02 -1.84 -2.97 113.55 114.46 3bg5 h SER 812 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3bg5 h SER 812 Cb 0.05 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 3bg5 h SER 812 CO 0.00 0.39 0.35 0.25 -1.14 0.00 0.00 176.83 176.68 3bg5 h LEU 813 N 0.57 0.65 -0.88 5.07 5.85 -0.75 -1.47 115.31 124.35 3bg5 h LEU 813 Ca 0.15 -0.04 0.18 0.00 0.84 0.00 0.00 57.88 59.02 3bg5 h LEU 813 Cb -0.03 -0.16 -0.11 0.00 0.37 0.00 0.00 40.66 40.73 3bg5 h LEU 813 CO -0.03 0.49 0.42 0.22 -0.34 0.00 0.00 178.44 179.20 3bg5 h TYR 814 N 0.75 0.73 0.00 1.25 3.20 -0.92 -0.18 116.97 121.80 3bg5 h TYR 814 Ca 0.20 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.90 3bg5 h TYR 814 Cb -0.06 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.00 3bg5 h TYR 814 CO -0.03 0.08 -1.11 1.88 -1.64 0.00 0.00 178.16 177.34 3bg5 h TYR 815 N 0.53 0.00 -0.87 -3.82 -1.99 -1.54 -3.30 116.97 105.98 3bg5 h TYR 815 Ca 0.51 0.00 0.11 0.00 2.00 0.00 0.00 58.73 61.35 3bg5 h TYR 815 Cb 0.85 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.51 3bg5 h TYR 815 CO -0.11 0.88 0.56 0.00 -0.00 0.00 0.00 178.16 179.50 3bg5 h ALA 816 N 1.12 1.71 -0.19 3.88 0.00 0.06 -2.03 119.26 123.79 3bg5 h ALA 816 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3bg5 h ALA 816 Cb 1.75 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3bg5 h ALA 816 CO 0.10 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.73 3bg5 n LEU 817 N -4.53 1.50 -4.73 0.00 4.77 -1.02 -4.88 117.00 108.11 3bg5 n LEU 817 Ca 0.15 -0.67 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 3bg5 n LEU 817 Cb 0.35 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3bg5 n LEU 817 CO 0.31 0.33 1.26 0.59 -1.33 0.00 0.00 177.39 178.55 3bg5 n ASN 818 N 0.24 3.74 0.00 -1.43 5.03 -0.77 -1.68 115.26 120.40 3bg5 n ASN 818 Ca 0.14 1.12 0.00 0.00 0.87 0.00 0.00 54.58 56.71 3bg5 n ASN 818 Cb 0.28 -1.56 0.00 0.00 -1.02 0.00 0.00 39.78 37.48 3bg5 n ASN 818 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 819 N 2.77 0.80 3.85 7.41 0.00 -1.26 -5.03 105.19 113.73 3bg5 n GLY 819 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3bg5 n GLY 819 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 820 N -3.34 2.94 0.21 1.61 0.40 -0.67 -5.05 117.98 114.07 3bg5 s PHE 820 Ca 0.00 -0.27 -0.07 0.00 -0.60 0.00 0.00 56.93 55.99 3bg5 s PHE 820 Cb 0.00 -1.74 0.16 0.00 0.51 0.00 0.00 43.02 41.95 3bg5 s PHE 820 CO 0.00 0.23 1.73 -1.35 0.70 0.00 0.00 175.22 176.53 3bg5 h PRO 821 N 1.28 1.08 -5.30 0.24 0.11 -1.96 -3.41 132.00 124.03 3bg5 h PRO 821 Ca -0.45 -0.26 -0.63 0.00 0.11 0.00 0.00 66.00 64.76 3bg5 h PRO 821 Cb 1.25 -0.14 -0.21 0.00 0.11 0.00 0.00 31.00 32.02 3bg5 h PRO 821 CO 0.59 0.97 -0.65 1.03 -0.21 0.00 0.00 178.00 179.72 3bg5 s ARG 822 N -5.25 3.72 0.43 1.05 0.52 -1.26 -5.06 118.95 113.10 3bg5 s ARG 822 Ca -0.12 -0.49 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 3bg5 s ARG 822 Cb 0.15 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.62 3bg5 s ARG 822 CO 0.84 0.25 0.29 -3.38 0.02 0.00 0.00 175.30 173.32 3bg5 s HIS 823 N 0.36 2.57 -0.19 -0.53 -3.43 -1.26 -4.86 115.29 107.95 3bg5 s HIS 823 Ca -0.03 -0.56 -0.19 0.00 -0.80 0.00 0.00 55.06 53.48 3bg5 s HIS 823 Cb -0.14 -2.06 -0.03 0.00 -1.43 0.00 0.00 32.58 28.92 3bg5 s HIS 823 CO 0.02 -0.02 0.52 -1.17 -2.00 0.00 0.00 174.74 172.10 3bg5 s LEU 824 N -4.04 4.17 -0.93 5.38 2.96 -1.26 -1.76 118.68 123.20 3bg5 s LEU 824 Ca 0.44 0.71 -0.24 0.00 -0.22 0.00 0.00 54.13 54.81 3bg5 s LEU 824 Cb 0.00 -2.72 0.05 0.00 0.50 0.00 0.00 46.19 44.02 3bg5 s LEU 824 CO 0.25 -0.16 1.38 -0.60 -1.32 0.00 0.00 176.35 175.91 3bg5 s ARG 825 N 1.49 3.46 0.09 1.98 3.52 -0.78 -4.91 118.95 123.79 3bg5 s ARG 825 Ca 0.25 -0.86 -0.27 0.00 -0.13 0.00 0.00 55.73 54.71 3bg5 s ARG 825 Cb -0.15 -4.98 0.09 0.00 -1.56 0.00 0.00 34.95 28.35 3bg5 s ARG 825 CO 0.10 -2.18 1.10 -0.08 -0.81 0.00 0.00 175.30 173.44 3bg5 s THR 826 N 5.14 0.00 -0.44 4.11 -1.32 -1.26 -4.53 115.64 117.35 3bg5 s THR 826 Ca 0.42 -0.47 -0.17 0.00 -1.21 0.00 0.00 61.69 60.25 3bg5 s THR 826 Cb -0.03 -2.09 0.03 0.00 -1.51 0.00 0.00 72.50 68.91 3bg5 s THR 826 CO -0.02 0.00 0.45 -0.62 -2.21 0.00 0.00 174.62 172.22 3bg5 s ASP 827 N -3.01 6.19 -0.04 8.08 3.68 -1.25 -4.98 116.67 125.33 3bg5 s ASP 827 Ca 0.14 -0.79 -0.23 0.00 2.13 0.00 0.00 52.55 53.80 3bg5 s ASP 827 Cb 0.01 -2.22 -0.24 0.00 -1.45 0.00 0.00 42.92 39.02 3bg5 s ASP 827 CO 0.00 -0.62 1.03 0.16 0.13 0.00 0.00 175.17 175.87 3bg5 h ILE 828 N 5.74 1.51 -1.02 4.11 -0.00 -1.98 -2.10 117.51 123.78 3bg5 h ILE 828 Ca -0.27 -2.04 0.28 0.00 -0.00 0.00 0.00 64.86 62.83 3bg5 h ILE 828 Cb 1.11 2.76 -0.13 0.00 -0.00 0.00 0.00 36.82 40.56 3bg5 h ILE 828 CO 0.82 0.57 0.61 -0.08 -0.00 0.00 0.00 178.15 180.07 3bg5 h GLU 829 N -0.38 0.46 0.14 0.16 4.57 -2.00 -0.40 114.58 117.12 3bg5 h GLU 829 Ca -0.05 -0.03 -0.29 0.00 -1.18 0.00 0.00 59.36 57.82 3bg5 h GLU 829 Cb 1.15 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3bg5 h GLU 829 CO 0.08 0.30 -1.32 0.78 -1.18 0.00 0.00 179.01 177.67 3bg5 h GLY 830 N 0.47 0.33 2.00 1.92 0.00 -1.97 -3.04 103.07 102.78 3bg5 h GLY 830 Ca 0.67 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3bg5 h GLY 830 CO -0.49 0.73 -0.23 -0.33 0.00 0.00 0.00 176.54 176.22 3bg5 h MET 831 N 0.08 0.00 -0.00 4.80 2.86 -0.62 -0.38 114.93 121.67 3bg5 h MET 831 Ca -0.17 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 3bg5 h MET 831 Cb 2.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.66 3bg5 h MET 831 CO 0.20 0.23 0.00 0.93 1.06 0.00 0.00 176.91 179.33 3bg5 h GLU 832 N 0.00 0.00 -0.61 1.72 4.39 -1.10 0.18 114.58 119.18 3bg5 h GLU 832 Ca -0.00 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 3bg5 h GLU 832 Cb 0.51 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.04 3bg5 h GLU 832 CO 0.03 0.27 -0.15 0.77 -1.16 0.00 0.00 179.01 178.77 3bg5 h SER 833 N -0.27 -0.57 -0.58 1.42 0.02 -1.26 0.16 113.55 112.47 3bg5 h SER 833 Ca 0.00 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 3bg5 h SER 833 Cb 0.27 0.38 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 3bg5 h SER 833 CO 0.00 -0.20 0.31 -0.07 -1.14 0.00 0.00 176.83 175.73 3bg5 h LEU 834 N -0.00 0.74 -0.68 5.07 3.38 -0.95 -1.68 115.31 121.18 3bg5 h LEU 834 Ca 0.29 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.18 3bg5 h LEU 834 Cb 0.44 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3bg5 h LEU 834 CO -0.62 0.64 0.43 -1.28 0.09 0.00 0.00 178.44 177.70 3bg5 h SER 835 N 0.79 0.72 -0.80 -0.43 0.87 0.55 0.02 113.55 115.28 3bg5 h SER 835 Ca 0.20 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3bg5 h SER 835 Cb 0.07 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 3bg5 h SER 835 CO -0.03 0.51 0.39 0.45 -0.53 0.00 0.00 176.83 177.62 3bg5 h HIS 836 N 0.86 1.15 0.64 2.24 3.86 -0.35 0.77 115.15 124.32 3bg5 h HIS 836 Ca 0.27 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 3bg5 h HIS 836 Cb -0.02 -0.36 0.01 0.00 1.06 0.00 0.00 27.41 28.10 3bg5 h HIS 836 CO -0.04 0.83 -0.31 -0.92 0.86 0.00 0.00 177.93 178.35 3bg5 h TYR 837 N 1.15 -0.80 0.00 2.45 3.20 -0.74 -2.98 116.97 119.26 3bg5 h TYR 837 Ca 0.28 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 3bg5 h TYR 837 Cb 0.10 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 3bg5 h TYR 837 CO 0.01 -0.45 -0.13 -1.49 -1.64 0.00 0.00 178.16 174.46 3bg5 h TRP 838 N -1.09 0.00 0.01 -3.82 4.06 -0.97 -1.14 115.95 113.00 3bg5 h TRP 838 Ca -0.09 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.89 3bg5 h TRP 838 Cb 0.70 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.82 3bg5 h TRP 838 CO 0.00 0.13 -0.23 1.03 -3.56 0.00 0.00 178.44 175.81 3bg5 h SER 839 N 0.00 -0.68 0.16 -3.49 0.87 -0.76 0.11 113.55 109.75 3bg5 h SER 839 Ca -0.00 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 3bg5 h SER 839 Cb 0.30 0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 3bg5 h SER 839 CO 0.02 -0.30 -0.08 0.74 -0.53 0.00 0.00 176.83 176.68 3bg5 h THR 840 N -0.37 0.95 -0.72 2.23 2.02 -1.21 -3.22 112.91 112.60 3bg5 h THR 840 Ca 0.06 -0.53 0.12 0.00 0.77 0.00 0.00 66.41 66.82 3bg5 h THR 840 Cb 0.45 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 68.05 3bg5 h THR 840 CO -0.20 0.12 0.30 0.58 0.37 0.00 0.00 175.52 176.70 3bg5 h VAL 841 N -0.47 0.73 -0.79 3.16 2.07 -1.13 -0.55 116.25 119.28 3bg5 h VAL 841 Ca -0.02 -0.17 0.18 0.00 0.82 0.00 0.00 66.70 67.51 3bg5 h VAL 841 Cb 0.37 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 30.22 3bg5 h VAL 841 CO 0.04 0.09 0.20 -0.09 0.02 0.00 0.00 177.57 177.83 3bg5 h ARG 842 N 0.48 0.26 -1.33 1.57 2.43 -0.82 0.26 114.38 117.24 3bg5 h ARG 842 Ca 0.38 -0.02 0.43 0.00 -0.81 0.00 0.00 59.98 59.96 3bg5 h ARG 842 Cb 0.51 -0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 29.88 3bg5 h ARG 842 CO -0.35 0.17 0.87 1.15 -1.51 0.00 0.00 179.97 180.30 3bg5 h THR 843 N 0.26 0.16 0.00 0.20 2.02 -1.10 0.56 112.91 115.01 3bg5 h THR 843 Ca 0.46 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.60 3bg5 h THR 843 Cb 0.82 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3bg5 h THR 843 CO -0.55 0.02 -0.02 1.88 0.37 0.00 0.00 175.52 177.21 3bg5 h TYR 844 N 0.10 0.00 -0.26 3.16 0.99 -0.52 -3.10 116.97 117.35 3bg5 h TYR 844 Ca 0.80 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.46 3bg5 h TYR 844 Cb 2.54 0.00 -0.04 0.00 1.00 0.00 0.00 36.73 40.23 3bg5 h TYR 844 CO -0.00 0.02 -0.04 0.66 -0.00 0.00 0.00 178.16 178.80 3bg5 n TYR 845 N -3.33 0.86 -0.33 4.88 4.02 0.20 -4.76 117.16 118.70 3bg5 n TYR 845 Ca -0.02 -1.18 0.12 0.00 -0.01 0.00 0.00 57.90 56.81 3bg5 n TYR 845 Cb 0.14 -0.36 0.33 0.00 -0.02 0.00 0.00 39.34 39.43 3bg5 n TYR 845 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3bg5 h SER 846 N 1.25 0.77 0.00 7.72 4.64 -1.56 0.14 113.55 126.51 3bg5 h SER 846 Ca 0.08 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3bg5 h SER 846 Cb 1.46 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3bg5 h SER 846 CO 0.25 0.34 0.40 0.44 -0.87 0.00 0.00 176.83 177.39 3bg5 h ASP 847 N 0.79 0.00 -0.01 4.97 3.32 -1.89 -1.91 116.42 121.69 3bg5 h ASP 847 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3bg5 h ASP 847 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3bg5 h ASP 847 CO -0.30 0.00 -0.08 0.49 -1.72 0.00 0.00 179.24 177.63 3bg5 n PHE 848 N -2.39 0.00 -1.73 4.55 3.01 0.50 -5.01 117.46 116.39 3bg5 n PHE 848 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.03 3bg5 n PHE 848 Cb 0.42 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.87 3bg5 n PHE 848 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3bg5 n GLU 849 N 0.13 2.66 -0.71 -1.08 -0.58 -0.72 -4.08 120.64 116.25 3bg5 n GLU 849 Ca 0.04 0.95 -0.28 0.00 -0.42 0.00 0.00 57.16 57.45 3bg5 n GLU 849 Cb 0.20 -2.74 0.23 0.00 -0.57 0.00 0.00 31.44 28.56 3bg5 n GLU 849 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3bg5 s SER 852 N 0.71 1.34 0.13 1.62 0.15 -1.23 -4.98 113.70 111.45 3bg5 s SER 852 Ca 0.68 1.41 -0.11 0.00 0.70 0.00 0.00 55.95 58.64 3bg5 s SER 852 Cb -0.52 -2.17 -0.07 0.00 -1.71 0.00 0.00 66.02 61.55 3bg5 s SER 852 CO 0.43 -3.96 1.43 -0.78 1.20 0.00 0.00 173.24 171.56 3bg5 h ASP 853 N -2.46 0.99 -3.94 5.45 3.58 -1.96 -3.46 116.42 114.62 3bg5 h ASP 853 Ca -0.60 -0.50 -0.53 0.00 0.42 0.00 0.00 57.03 55.82 3bg5 h ASP 853 Cb 1.33 -0.28 0.08 0.00 1.72 0.00 0.00 39.33 42.19 3bg5 h ASP 853 CO 0.52 1.31 0.63 0.27 -2.88 0.00 0.00 179.24 179.09 3bg5 s ILE 854 N -4.21 2.57 0.00 2.25 -5.25 -1.26 -4.93 121.20 110.37 3bg5 s ILE 854 Ca -0.11 0.52 0.00 0.00 -0.99 0.00 0.00 60.65 60.08 3bg5 s ILE 854 Cb 0.10 -3.31 0.00 0.00 2.95 0.00 0.00 42.46 42.20 3bg5 s ILE 854 CO 0.89 0.09 0.34 2.29 -1.79 0.00 0.00 174.94 176.75 3bg5 n LYS 855 N 0.22 0.00 -4.00 0.37 -0.00 -1.26 -5.06 118.16 108.43 3bg5 n LYS 855 Ca 0.03 -0.34 -0.09 0.00 -0.00 0.00 0.00 58.31 57.92 3bg5 n LYS 855 Cb 0.43 -0.40 -0.10 0.00 -0.00 0.00 0.00 35.03 34.95 3bg5 n LYS 855 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3bg5 s SER 856 N 0.00 0.30 0.48 -5.58 0.01 -1.26 -5.10 113.70 102.55 3bg5 s SER 856 Ca 0.00 -0.64 -0.24 0.00 1.31 0.00 0.00 55.95 56.38 3bg5 s SER 856 Cb 0.00 0.15 -0.07 0.00 0.21 0.00 0.00 66.02 66.31 3bg5 s SER 856 CO 0.00 -0.42 1.38 -2.16 0.41 0.00 0.00 173.24 172.45 3bg5 s PRO 857 N -2.35 3.51 -0.21 12.44 0.04 -1.26 -4.98 135.00 142.18 3bg5 s PRO 857 Ca -0.08 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.28 3bg5 s PRO 857 Cb -0.03 -2.51 0.05 0.00 0.04 0.00 0.00 34.50 32.05 3bg5 s PRO 857 CO -0.04 -0.92 -0.09 1.21 0.04 0.00 0.00 177.00 177.20 3bg5 s ASN 858 N -0.72 3.62 0.43 6.66 3.84 0.43 -4.94 114.94 124.26 3bg5 s ASN 858 Ca 0.65 -1.01 0.23 0.00 0.21 0.00 0.00 52.86 52.93 3bg5 s ASN 858 Cb -0.42 -1.25 0.34 0.00 -0.55 0.00 0.00 41.25 39.37 3bg5 s ASN 858 CO 0.52 -0.17 1.61 0.71 -2.79 0.00 0.00 177.10 176.97 3bg5 h THR 859 N 6.50 0.05 0.00 -5.21 1.35 -1.83 -3.21 112.91 110.56 3bg5 h THR 859 Ca -0.24 -1.06 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3bg5 h THR 859 Cb 1.08 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3bg5 h THR 859 CO 0.46 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 175.13 3bg5 n GLU 860 N -3.11 0.08 0.28 4.72 1.02 -1.26 -1.97 120.64 120.41 3bg5 n GLU 860 Ca 0.04 0.26 0.16 0.00 -0.02 0.00 0.00 57.16 57.59 3bg5 n GLU 860 Cb 0.54 -1.50 0.83 0.00 -0.02 0.00 0.00 31.44 31.29 3bg5 n GLU 860 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3bg5 h ILE 861 N 0.00 0.35 0.00 -3.67 1.08 -1.94 -0.34 117.51 112.99 3bg5 h ILE 861 Ca 0.00 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 3bg5 h ILE 861 Cb 0.12 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 3bg5 h ILE 861 CO 0.00 0.07 0.00 -1.22 -0.69 0.00 0.00 178.15 176.31 3bg5 n TYR 862 N -3.44 0.39 -0.11 1.37 0.53 -0.83 -1.27 117.16 113.80 3bg5 n TYR 862 Ca -0.02 0.16 -0.18 0.00 -1.02 0.00 0.00 57.90 56.85 3bg5 n TYR 862 Cb 0.21 -0.76 -0.07 0.00 -1.03 0.00 0.00 39.34 37.69 3bg5 n TYR 862 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 3bg5 n GLN 863 N -1.86 0.54 0.09 -0.72 1.13 -0.15 -4.71 117.38 111.69 3bg5 n GLN 863 Ca 0.02 0.35 0.07 0.00 -1.94 0.00 0.00 57.00 55.50 3bg5 n GLN 863 Cb 0.16 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 28.93 3bg5 n GLN 863 CO 0.00 0.00 0.00 1.12 -1.44 0.00 0.00 177.06 176.74 3bg5 h HIS 864 N -1.00 0.00 -3.11 1.08 2.07 -1.57 -3.46 115.15 109.15 3bg5 h HIS 864 Ca -0.31 0.00 -0.39 0.00 -2.85 0.00 0.00 60.37 56.82 3bg5 h HIS 864 Cb 1.19 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 3bg5 h HIS 864 CO -0.18 0.22 -0.52 0.39 -3.07 0.00 0.00 177.93 174.77 3bg5 n GLU 865 N -2.79 -2.27 -1.84 5.12 1.02 -0.40 -4.44 120.64 115.04 3bg5 n GLU 865 Ca -0.03 0.93 -0.42 0.00 -0.02 0.00 0.00 57.16 57.61 3bg5 n GLU 865 Cb 0.66 -5.55 -0.03 0.00 -0.02 0.00 0.00 31.44 26.50 3bg5 n GLU 865 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3bg5 s MET 866 N -5.13 4.17 0.39 3.49 -1.94 -1.26 -4.80 119.30 114.22 3bg5 s MET 866 Ca 0.07 2.42 -0.26 0.00 -1.71 0.00 0.00 55.69 56.21 3bg5 s MET 866 Cb -0.03 -3.84 -0.11 0.00 2.01 0.00 0.00 34.83 32.86 3bg5 s MET 866 CO 0.08 -0.84 1.17 -2.30 -0.01 0.00 0.00 175.02 173.13 3bg5 n PRO 867 N 6.49 1.75 0.06 2.03 -0.02 -1.26 -4.63 135.00 139.42 3bg5 n PRO 867 Ca 0.18 0.62 -0.01 0.00 -2.02 0.00 0.00 63.50 62.26 3bg5 n PRO 867 Cb 0.41 -2.22 0.26 0.00 -0.02 0.00 0.00 33.50 31.93 3bg5 n PRO 867 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3bg5 h GLY 868 N 2.02 0.38 0.99 -1.23 0.00 -1.08 -2.20 103.07 101.95 3bg5 h GLY 868 Ca -0.46 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3bg5 h GLY 868 CO 0.60 0.27 -0.09 0.61 0.00 0.00 0.00 176.54 177.93 3bg5 n GLY 869 N -0.47 -0.98 0.08 4.60 0.00 -1.26 -3.15 105.19 104.01 3bg5 n GLY 869 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 3bg5 n GLY 869 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3bg5 n GLN 870 N -0.99 0.65 0.07 1.61 7.27 -0.93 -4.66 117.38 120.40 3bg5 n GLN 870 Ca 0.15 0.11 -0.12 0.00 0.07 0.00 0.00 57.00 57.21 3bg5 n GLN 870 Cb 0.26 -1.68 -0.05 0.00 2.41 0.00 0.00 30.24 31.18 3bg5 n GLN 870 CO 0.00 0.00 0.00 -0.92 0.07 0.00 0.00 177.06 176.21 3bg5 h TYR 871 N 0.00 -0.83 0.00 3.69 3.20 -1.36 0.43 116.97 122.10 3bg5 h TYR 871 Ca -0.28 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.52 3bg5 h TYR 871 Cb 1.79 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 40.41 3bg5 h TYR 871 CO 0.00 -0.40 -0.43 0.66 -1.64 0.00 0.00 178.16 176.36 3bg5 h SER 872 N -0.46 0.00 0.02 -2.11 4.64 -1.78 -2.09 113.55 111.78 3bg5 h SER 872 Ca 0.06 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.17 3bg5 h SER 872 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3bg5 h SER 872 CO -0.24 0.43 -0.77 0.78 -0.87 0.00 0.00 176.83 176.15 3bg5 h ASN 873 N 0.00 0.76 0.93 4.97 4.21 -1.71 -2.92 115.58 121.82 3bg5 h ASN 873 Ca -0.00 -0.50 0.00 0.00 1.21 0.00 0.00 56.30 57.00 3bg5 h ASN 873 Cb 1.25 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 38.23 3bg5 h ASN 873 CO 0.06 1.28 -0.36 -0.11 -1.29 0.00 0.00 177.43 177.01 3bg5 n LEU 874 N -3.89 0.56 0.07 1.61 0.00 0.11 -2.27 117.00 113.19 3bg5 n LEU 874 Ca -0.06 0.29 -0.08 0.00 0.00 0.00 0.00 56.01 56.16 3bg5 n LEU 874 Cb 0.74 -0.28 0.04 0.00 0.00 0.00 0.00 43.42 43.92 3bg5 n LEU 874 CO 0.51 -0.03 0.35 -1.28 0.00 0.00 0.00 177.39 176.94 3bg5 h SER 875 N 0.00 0.34 0.32 1.96 0.87 -1.37 -2.12 113.55 113.54 3bg5 h SER 875 Ca 0.00 -0.24 -0.21 0.00 -1.23 0.00 0.00 61.79 60.11 3bg5 h SER 875 Cb 0.64 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 3bg5 h SER 875 CO 0.00 0.97 -0.87 -0.61 -0.53 0.00 0.00 176.83 175.79 3bg5 h GLN 876 N 0.19 0.40 -0.03 2.24 5.75 -1.40 -1.85 115.11 120.41 3bg5 h GLN 876 Ca -0.03 -0.40 -0.01 0.00 -0.15 0.00 0.00 58.65 58.06 3bg5 h GLN 876 Cb 1.33 0.11 -0.00 0.00 1.07 0.00 0.00 27.48 29.98 3bg5 h GLN 876 CO 0.12 1.06 -0.00 0.37 -2.65 0.00 0.00 178.83 177.73 3bg5 h GLN 877 N 0.24 0.06 -0.51 1.69 4.15 -1.48 -2.02 115.11 117.24 3bg5 h GLN 877 Ca -0.06 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.36 3bg5 h GLN 877 Cb 1.49 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.14 3bg5 h GLN 877 CO 0.15 0.39 0.30 0.00 -1.93 0.00 0.00 178.83 177.74 3bg5 h ALA 878 N 0.67 0.65 -0.42 3.38 0.00 -1.44 -2.30 119.26 119.80 3bg5 h ALA 878 Ca 0.01 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3bg5 h ALA 878 Cb 0.37 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3bg5 h ALA 878 CO 0.00 0.00 0.16 -0.22 0.00 0.00 0.00 179.25 179.19 3bg5 h LYS 879 N 0.60 0.32 0.00 0.00 3.64 -1.32 0.60 116.57 120.42 3bg5 h LYS 879 Ca 0.20 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3bg5 h LYS 879 Cb 0.03 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3bg5 h LYS 879 CO -0.09 0.21 0.00 1.03 -2.27 0.00 0.00 179.45 178.33 3bg5 h SER 880 N 0.33 0.00 -0.50 4.20 0.87 -1.13 -3.17 113.55 114.16 3bg5 h SER 880 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 3bg5 h SER 880 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3bg5 h SER 880 CO -0.19 0.00 0.00 -0.11 -0.53 0.00 0.00 176.83 176.00 3bg5 n LEU 881 N -2.37 3.96 0.00 2.23 0.00 -0.49 -4.92 117.00 115.40 3bg5 n LEU 881 Ca 0.02 -2.36 0.00 0.00 0.00 0.00 0.00 56.01 53.67 3bg5 n LEU 881 Cb 0.23 -0.46 0.00 0.00 0.00 0.00 0.00 43.42 43.20 3bg5 n LEU 881 CO 0.21 0.79 0.00 0.61 0.00 0.00 0.00 177.39 178.99 3bg5 n GLY 882 N 0.72 0.81 1.53 -3.96 0.00 -1.14 -4.92 105.19 98.21 3bg5 n GLY 882 Ca 0.21 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.31 3bg5 n GLY 882 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bg5 n LEU 883 N 0.00 4.94 -4.76 0.99 4.77 0.08 -4.93 117.00 118.09 3bg5 n LEU 883 Ca 0.00 -2.78 -0.39 0.00 -0.03 0.00 0.00 56.01 52.81 3bg5 n LEU 883 Cb 0.00 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 3bg5 n LEU 883 CO 0.00 0.70 1.00 -0.83 -1.33 0.00 0.00 177.39 176.92 3bg5 s GLY 884 N -1.10 2.89 0.00 -0.72 0.00 -1.20 -2.64 107.32 104.56 3bg5 s GLY 884 Ca 0.50 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.55 3bg5 s GLY 884 CO 0.17 1.89 0.00 -2.21 0.00 0.00 0.00 173.10 172.94 3bg5 n GLU 885 N -0.54 0.00 0.00 2.90 2.13 -1.26 -4.75 120.64 119.12 3bg5 n GLU 885 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3bg5 n GLU 885 Cb 0.44 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.15 3bg5 n GLU 885 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3bg5 n ARG 886 N 0.00 0.59 0.19 5.31 1.74 -1.08 -4.22 116.66 119.19 3bg5 n ARG 886 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3bg5 n ARG 886 Cb 0.00 -1.21 0.30 0.00 -1.02 0.00 0.00 32.46 30.52 3bg5 n ARG 886 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3bg5 h PHE 887 N 0.77 0.00 -0.12 -1.55 3.57 -1.85 -3.12 116.94 114.64 3bg5 h PHE 887 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3bg5 h PHE 887 Cb 0.56 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3bg5 h PHE 887 CO 0.00 0.37 -0.38 -0.44 -2.23 0.00 0.00 178.31 175.63 3bg5 h ASP 888 N 0.00 0.27 0.97 0.41 5.19 -1.93 -1.44 116.42 119.90 3bg5 h ASP 888 Ca -0.00 -0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 56.22 3bg5 h ASP 888 Cb 0.97 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.40 3bg5 h ASP 888 CO 0.05 0.63 -0.36 -0.33 -3.12 0.00 0.00 179.24 176.11 3bg5 h GLU 889 N 0.22 0.00 0.00 3.56 5.08 -1.89 -2.46 114.58 119.09 3bg5 h GLU 889 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 3bg5 h GLU 889 Cb 0.77 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3bg5 h GLU 889 CO 0.06 0.36 -0.39 0.28 -1.00 0.00 0.00 179.01 178.32 3bg5 h VAL 890 N 0.00 0.87 0.04 3.13 2.07 -1.23 -3.12 116.25 118.01 3bg5 h VAL 890 Ca -0.00 -1.58 -0.29 0.00 0.82 0.00 0.00 66.70 65.64 3bg5 h VAL 890 Cb 0.94 1.97 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 3bg5 h VAL 890 CO 0.05 0.38 -1.57 0.11 0.02 0.00 0.00 177.57 176.55 3bg5 h LYS 891 N 0.00 0.09 -0.61 1.57 1.57 -1.23 -3.08 116.57 114.88 3bg5 h LYS 891 Ca -0.00 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 3bg5 h LYS 891 Cb 0.94 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.28 3bg5 h LYS 891 CO 0.05 0.81 0.18 -0.44 -0.57 0.00 0.00 179.45 179.48 3bg5 h ASP 892 N 0.02 0.87 0.67 0.86 3.32 -1.46 -3.11 116.42 117.60 3bg5 h ASP 892 Ca -0.24 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 3bg5 h ASP 892 Cb 1.97 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 41.30 3bg5 h ASP 892 CO 0.11 0.83 -1.33 0.80 -1.72 0.00 0.00 179.24 177.92 3bg5 n MET 893 N -4.27 0.62 0.21 3.56 1.56 -1.18 -3.28 117.12 114.34 3bg5 n MET 893 Ca 0.05 0.02 0.13 0.00 -0.27 0.00 0.00 57.70 57.63 3bg5 n MET 893 Cb 0.22 -1.73 0.74 0.00 2.15 0.00 0.00 33.22 34.60 3bg5 n MET 893 CO 0.00 0.00 0.00 -0.92 -0.73 0.00 0.00 175.97 174.32 3bg5 h TYR 894 N 0.00 0.00 -0.06 1.12 3.20 -1.52 0.57 116.97 120.28 3bg5 h TYR 894 Ca -0.00 0.00 -0.18 0.00 3.14 0.00 0.00 58.73 61.69 3bg5 h TYR 894 Cb 1.00 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.29 3bg5 h TYR 894 CO 0.00 0.00 -0.65 -0.09 -1.64 0.00 0.00 178.16 175.78 3bg5 h ARG 895 N 0.00 0.55 0.14 1.82 2.43 -1.56 -3.18 114.38 114.59 3bg5 h ARG 895 Ca 0.06 -0.51 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 3bg5 h ARG 895 Cb 0.26 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3bg5 h ARG 895 CO -0.00 1.14 -0.07 0.00 -1.51 0.00 0.00 179.97 179.53 3bg5 h ARG 896 N 0.15 -0.18 -0.76 0.20 3.08 -1.17 -2.85 114.38 112.85 3bg5 h ARG 896 Ca -0.06 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.17 3bg5 h ARG 896 Cb 1.32 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 31.28 3bg5 h ARG 896 CO 0.13 0.08 -0.03 0.28 -1.07 0.00 0.00 179.97 179.37 3bg5 h VAL 897 N -0.44 0.32 -0.53 2.04 2.07 -0.07 -1.01 116.25 118.62 3bg5 h VAL 897 Ca -0.02 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.57 3bg5 h VAL 897 Cb 0.35 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 3bg5 h VAL 897 CO 0.03 0.01 0.06 -1.13 0.02 0.00 0.00 177.57 176.57 3bg5 h ASN 898 N 0.08 -0.10 1.54 0.57 -0.73 -1.48 -1.34 115.58 114.13 3bg5 h ASN 898 Ca 0.41 0.11 -0.05 0.00 1.87 0.00 0.00 56.30 58.63 3bg5 h ASN 898 Cb 0.70 0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.46 3bg5 h ASN 898 CO -0.69 -0.02 -0.25 -0.26 -0.37 0.00 0.00 177.43 175.84 3bg5 h PHE 899 N 0.19 0.00 -0.52 0.67 -1.00 -1.34 -1.54 116.94 113.40 3bg5 h PHE 899 Ca 0.27 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 61.02 3bg5 h PHE 899 Cb 0.40 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.93 3bg5 h PHE 899 CO -0.27 0.25 0.20 1.25 -1.61 0.00 0.00 178.31 178.13 3bg5 h LEU 900 N 0.00 0.69 -0.87 1.54 5.85 -0.15 -2.53 115.31 119.83 3bg5 h LEU 900 Ca -0.00 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3bg5 h LEU 900 Cb 1.09 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3bg5 h LEU 900 CO 0.03 0.63 0.00 0.49 -0.34 0.00 0.00 178.44 179.25 3bg5 n PHE 901 N -4.34 0.00 -0.94 1.25 3.72 -0.65 -4.94 117.46 111.57 3bg5 n PHE 901 Ca 0.04 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3bg5 n PHE 901 Cb 0.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3bg5 n PHE 901 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3bg5 n GLY 902 N 1.16 1.12 2.86 1.37 0.00 -0.95 -4.70 105.19 106.04 3bg5 n GLY 902 Ca 0.19 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.83 3bg5 n GLY 902 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bg5 n ASP 903 N 0.70 -7.91 -4.81 1.61 4.64 -0.60 -4.91 116.55 105.27 3bg5 n ASP 903 Ca 0.00 0.48 -0.22 0.00 -1.38 0.00 0.00 54.79 53.67 3bg5 n ASP 903 Cb 0.20 -5.37 -0.05 0.00 -1.04 0.00 0.00 41.12 34.87 3bg5 n ASP 903 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3bg5 s ILE 904 N -2.64 2.67 0.08 5.18 -4.36 -1.26 -4.98 121.20 115.91 3bg5 s ILE 904 Ca 0.23 -1.51 -0.31 0.00 -0.26 0.00 0.00 60.65 58.80 3bg5 s ILE 904 Cb -0.06 -3.01 -0.06 0.00 1.25 0.00 0.00 42.46 40.57 3bg5 s ILE 904 CO 0.76 -0.04 1.24 -0.69 0.24 0.00 0.00 174.94 176.45 3bg5 s VAL 905 N -2.49 3.85 -0.45 8.37 1.01 -1.26 -5.01 120.40 124.42 3bg5 s VAL 905 Ca 0.44 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.76 3bg5 s VAL 905 Cb -0.01 -3.86 0.12 0.00 0.00 0.00 0.00 36.38 32.63 3bg5 s VAL 905 CO 0.25 0.11 0.21 -0.54 0.00 0.00 0.00 175.10 175.14 3bg5 s LYS 906 N 0.99 1.96 0.31 2.72 1.02 -1.26 -4.64 119.74 120.84 3bg5 s LYS 906 Ca 0.60 -2.09 0.06 0.00 0.02 0.00 0.00 55.97 54.56 3bg5 s LYS 906 Cb -0.31 -3.47 -0.02 0.00 -0.52 0.00 0.00 37.83 33.51 3bg5 s LYS 906 CO 0.30 -1.06 0.29 0.28 -0.92 0.00 0.00 175.35 174.23 3bg5 n VAL 907 N 4.07 0.00 -2.37 3.17 0.31 -1.26 -4.64 118.33 117.61 3bg5 n VAL 907 Ca 0.02 -2.24 -0.42 0.00 -0.01 0.00 0.00 64.34 61.70 3bg5 n VAL 907 Cb 0.39 1.14 -0.03 0.00 -0.91 0.00 0.00 33.84 34.44 3bg5 n VAL 907 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3bg5 s THR 908 N -3.23 4.00 -2.21 2.52 2.01 -1.26 0.16 115.64 117.63 3bg5 s THR 908 Ca 0.37 1.39 0.23 0.00 0.31 0.00 0.00 61.69 63.98 3bg5 s THR 908 Cb 0.02 -3.89 0.56 0.00 0.01 0.00 0.00 72.50 69.19 3bg5 s THR 908 CO 0.26 0.04 1.49 -0.81 -0.69 0.00 0.00 174.62 174.91 3bg5 n PRO 909 N 4.73 2.62 0.06 4.92 -0.04 -1.26 -4.34 135.00 141.68 3bg5 n PRO 909 Ca 0.11 -2.49 0.02 0.00 -0.04 0.00 0.00 63.50 61.09 3bg5 n PRO 909 Cb 0.45 -1.55 0.37 0.00 -0.04 0.00 0.00 33.50 32.73 3bg5 n PRO 909 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3bg5 h SER 910 N 4.37 0.36 -0.45 3.54 4.64 0.13 -0.53 113.55 125.62 3bg5 h SER 910 Ca 0.00 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 3bg5 h SER 910 Cb 0.98 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3bg5 h SER 910 CO 0.00 0.43 0.15 0.77 -0.87 0.00 0.00 176.83 177.31 3bg5 h SER 911 N 0.38 0.64 -0.92 4.97 4.64 0.12 -2.27 113.55 121.11 3bg5 h SER 911 Ca 0.09 -0.20 0.14 0.00 -0.47 0.00 0.00 61.79 61.35 3bg5 h SER 911 Cb 0.27 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 62.11 3bg5 h SER 911 CO 0.01 0.66 0.59 0.50 -0.87 0.00 0.00 176.83 177.72 3bg5 h LYS 912 N 0.58 0.73 -0.07 4.77 1.63 -1.32 0.69 116.57 123.58 3bg5 h LYS 912 Ca 0.15 -0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.81 3bg5 h LYS 912 Cb 0.25 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 3bg5 h LYS 912 CO -0.01 0.48 -0.31 0.28 -3.45 0.00 0.00 179.45 176.45 3bg5 h VAL 913 N 0.75 1.42 -0.75 2.00 2.07 -1.15 0.32 116.25 120.92 3bg5 h VAL 913 Ca 0.47 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.30 3bg5 h VAL 913 Cb 0.69 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.73 3bg5 h VAL 913 CO -0.23 0.49 0.48 0.58 0.02 0.00 0.00 177.57 178.91 3bg5 h VAL 914 N -0.16 1.14 -0.80 2.57 2.07 -0.96 0.22 116.25 120.34 3bg5 h VAL 914 Ca -0.02 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3bg5 h VAL 914 Cb 0.95 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3bg5 h VAL 914 CO 0.06 0.17 0.46 1.23 0.02 0.00 0.00 177.57 179.51 3bg5 h GLY 915 N 0.96 1.18 1.64 2.17 0.00 0.46 0.20 103.07 109.68 3bg5 h GLY 915 Ca 0.29 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 3bg5 h GLY 915 CO -0.09 0.50 -0.63 -0.55 0.00 0.00 0.00 176.54 175.77 3bg5 h ASP 916 N 1.10 0.42 0.40 0.19 3.32 0.03 -1.56 116.42 120.32 3bg5 h ASP 916 Ca 0.28 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 3bg5 h ASP 916 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3bg5 h ASP 916 CO -0.05 0.94 -0.55 -0.03 -1.72 0.00 0.00 179.24 177.84 3bg5 h MET 917 N 0.27 0.15 -0.06 3.56 4.05 -0.34 -2.06 114.93 120.50 3bg5 h MET 917 Ca -0.01 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.26 3bg5 h MET 917 Cb 1.17 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.98 3bg5 h MET 917 CO 0.11 0.66 -0.17 0.00 0.23 0.00 0.00 176.91 177.74 3bg5 h ALA 918 N 1.32 0.11 -0.49 0.39 0.00 -0.47 -2.49 119.26 117.63 3bg5 h ALA 918 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3bg5 h ALA 918 Cb 1.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3bg5 h ALA 918 CO 0.08 0.03 0.09 -0.07 0.00 0.00 0.00 179.25 179.38 3bg5 h LEU 919 N -0.28 0.70 -0.13 0.00 3.38 -1.32 -2.07 115.31 115.59 3bg5 h LEU 919 Ca -0.00 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3bg5 h LEU 919 Cb 0.78 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3bg5 h LEU 919 CO 0.04 0.71 -0.30 0.22 0.09 0.00 0.00 178.44 179.20 3bg5 h TYR 920 N 0.72 0.56 -0.15 1.13 5.03 -1.44 -2.67 116.97 120.15 3bg5 h TYR 920 Ca 0.16 -0.21 -0.15 0.00 2.58 0.00 0.00 58.73 61.11 3bg5 h TYR 920 Cb 0.31 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 3bg5 h TYR 920 CO 0.02 0.92 -0.54 0.52 -1.32 0.00 0.00 178.16 177.76 3bg5 h MET 921 N 0.03 0.45 -0.01 1.82 2.86 -1.43 -2.94 114.93 115.71 3bg5 h MET 921 Ca -0.00 -0.28 -0.14 0.00 -2.06 0.00 0.00 59.70 57.23 3bg5 h MET 921 Cb 0.90 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3bg5 h MET 921 CO 0.07 0.87 -0.64 0.28 1.06 0.00 0.00 176.91 178.54 3bg5 h VAL 922 N 0.35 1.45 -0.46 -2.22 2.07 -1.46 0.63 116.25 116.60 3bg5 h VAL 922 Ca 0.01 -2.19 -0.10 0.00 0.82 0.00 0.00 66.70 65.24 3bg5 h VAL 922 Cb 1.05 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 3bg5 h VAL 922 CO 0.09 0.63 -0.10 1.56 0.02 0.00 0.00 177.57 179.77 3bg5 h GLN 923 N 0.02 0.84 -0.54 1.57 1.08 -1.43 -3.23 115.11 113.42 3bg5 h GLN 923 Ca -0.01 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3bg5 h GLN 923 Cb 1.14 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3bg5 h GLN 923 CO 0.09 0.91 0.00 0.09 -0.95 0.00 0.00 178.83 178.96 3bg5 n ASN 924 N -4.16 4.35 -3.93 1.46 4.13 -1.12 -4.97 115.26 111.02 3bg5 n ASN 924 Ca 0.01 -2.47 -0.39 0.00 1.68 0.00 0.00 54.58 53.41 3bg5 n ASN 924 Cb 0.37 -0.52 0.02 0.00 -1.54 0.00 0.00 39.78 38.12 3bg5 n ASN 924 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3bg5 n ASP 925 N 0.76 -4.60 -4.55 6.41 2.03 -0.71 -4.97 116.55 110.93 3bg5 n ASP 925 Ca 0.23 -1.16 -0.34 0.00 0.52 0.00 0.00 54.79 54.04 3bg5 n ASP 925 Cb 0.82 -2.11 -0.11 0.00 -0.72 0.00 0.00 41.12 39.00 3bg5 n ASP 925 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3bg5 s LEU 926 N -6.79 3.26 0.54 -2.67 1.43 0.21 -5.02 118.68 109.64 3bg5 s LEU 926 Ca 0.40 -0.06 0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3bg5 s LEU 926 Cb -0.20 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.32 3bg5 s LEU 926 CO 0.93 0.26 0.58 1.51 0.23 0.00 0.00 176.35 179.87 3bg5 s ASP 927 N -0.19 4.91 0.07 2.29 1.47 -1.26 -4.62 116.67 119.33 3bg5 s ASP 927 Ca 0.03 -1.00 -0.18 0.00 1.18 0.00 0.00 52.55 52.58 3bg5 s ASP 927 Cb -0.13 0.26 -0.11 0.00 -0.34 0.00 0.00 42.92 42.60 3bg5 s ASP 927 CO 0.02 -1.17 1.41 -0.33 0.68 0.00 0.00 175.17 175.78 3bg5 h GLU 928 N 0.51 0.49 0.00 2.11 5.08 -2.00 -2.93 114.58 117.84 3bg5 h GLU 928 Ca -0.34 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 3bg5 h GLU 928 Cb 1.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3bg5 h GLU 928 CO 0.49 0.80 0.00 1.04 -1.00 0.00 0.00 179.01 180.34 3bg5 n GLN 929 N -4.47 0.02 -1.14 2.33 6.02 -1.26 -3.57 117.38 115.30 3bg5 n GLN 929 Ca -0.05 0.26 -0.17 0.00 -0.01 0.00 0.00 57.00 57.04 3bg5 n GLN 929 Cb 0.37 -1.53 -0.14 0.00 1.02 0.00 0.00 30.24 29.97 3bg5 n GLN 929 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3bg5 n SER 930 N -1.56 5.68 0.00 1.08 2.88 -1.11 -3.10 113.62 117.49 3bg5 n SER 930 Ca 0.03 -2.67 0.00 0.00 -1.33 0.00 0.00 58.87 54.91 3bg5 n SER 930 Cb 0.18 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 3bg5 n SER 930 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 3bg5 n VAL 931 N 2.13 0.00 -0.30 2.46 0.31 -1.23 -4.55 118.33 117.15 3bg5 n VAL 931 Ca 0.46 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.87 3bg5 n VAL 931 Cb 0.80 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 34.04 3bg5 n VAL 931 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3bg5 h ILE 932 N 0.00 0.93 0.00 2.52 2.04 -1.74 -3.23 117.51 118.03 3bg5 h ILE 932 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3bg5 h ILE 932 Cb 0.00 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.07 3bg5 h ILE 932 CO 0.00 0.16 0.00 0.41 0.00 0.00 0.00 178.15 178.72 3bg5 n THR 933 N -4.55 0.00 0.11 -0.27 -1.04 -1.26 -4.90 114.28 102.37 3bg5 n THR 933 Ca 0.16 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.22 3bg5 n THR 933 Cb 0.35 1.96 0.08 0.00 -1.82 0.00 0.00 70.33 70.90 3bg5 n THR 933 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3bg5 n ASP 934 N 0.00 2.24 0.20 8.00 9.92 -1.24 -4.57 116.55 131.10 3bg5 n ASP 934 Ca 0.00 -1.69 0.14 0.00 -0.53 0.00 0.00 54.79 52.71 3bg5 n ASP 934 Cb 0.26 -0.09 0.45 0.00 -0.64 0.00 0.00 41.12 41.09 3bg5 n ASP 934 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 3bg5 h GLY 935 N 1.66 0.00 0.50 0.44 0.00 -1.79 -3.35 103.07 100.53 3bg5 h GLY 935 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bg5 h GLY 935 CO 0.00 0.00 0.71 -0.97 0.00 0.00 0.00 176.54 176.28 3bg5 h TYR 936 N 0.00 0.00 -3.37 5.60 0.99 -1.81 -3.35 116.97 115.04 3bg5 h TYR 936 Ca 0.00 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.55 3bg5 h TYR 936 Cb 0.67 0.00 -0.25 0.00 1.00 0.00 0.00 36.73 38.15 3bg5 h TYR 936 CO 0.00 0.00 -0.52 0.15 -0.00 0.00 0.00 178.16 177.79 3bg5 s LYS 937 N -3.83 0.26 0.00 4.88 3.01 -1.26 -5.06 119.74 117.74 3bg5 s LYS 937 Ca -0.01 0.09 0.00 0.00 -1.01 0.00 0.00 55.97 55.04 3bg5 s LYS 937 Cb 0.03 0.12 0.00 0.00 -1.01 0.00 0.00 37.83 36.97 3bg5 s LYS 937 CO 0.09 -0.04 0.00 1.28 0.51 0.00 0.00 175.35 177.19 3bg5 n LEU 938 N 2.66 0.00 -1.06 3.17 4.77 -1.26 -5.05 117.00 120.23 3bg5 n LEU 938 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3bg5 n LEU 938 Cb 0.58 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 3bg5 n LEU 938 CO 0.21 -0.28 0.00 -0.67 -1.33 0.00 0.00 177.39 175.32 3bg5 n ASP 939 N -2.14 -1.41 -4.94 -1.43 4.64 -1.26 -5.09 116.55 104.92 3bg5 n ASP 939 Ca 0.00 0.00 -0.25 0.00 -1.38 0.00 0.00 54.79 53.16 3bg5 n ASP 939 Cb 0.00 -0.70 -0.02 0.00 -1.04 0.00 0.00 41.12 39.36 3bg5 n ASP 939 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3bg5 s PHE 940 N -0.15 3.49 0.44 -0.67 0.40 -1.26 -5.07 117.98 115.16 3bg5 s PHE 940 Ca 0.00 0.30 -0.25 0.00 -0.60 0.00 0.00 56.93 56.38 3bg5 s PHE 940 Cb 0.00 -1.84 -0.08 0.00 0.51 0.00 0.00 43.02 41.61 3bg5 s PHE 940 CO 0.00 0.25 1.39 -1.25 0.70 0.00 0.00 175.22 176.31 3bg5 s PRO 941 N -3.95 3.73 0.31 0.24 0.04 -1.26 -4.86 135.00 129.26 3bg5 s PRO 941 Ca 0.39 2.33 0.07 0.00 0.04 0.00 0.00 61.00 63.83 3bg5 s PRO 941 Cb -0.10 -2.66 0.80 0.00 0.04 0.00 0.00 34.50 32.58 3bg5 s PRO 941 CO 0.32 -0.75 1.75 1.49 0.04 0.00 0.00 177.00 179.85 3bg5 h GLU 942 N 2.37 0.63 -0.26 4.56 4.22 -2.00 0.31 114.58 124.42 3bg5 h GLU 942 Ca -0.51 -0.04 -0.10 0.00 0.08 0.00 0.00 59.36 58.79 3bg5 h GLU 942 Cb 1.26 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3bg5 h GLU 942 CO 0.61 0.42 -0.28 0.66 -2.18 0.00 0.00 179.01 178.24 3bg5 h SER 943 N 0.65 0.52 0.61 1.04 4.64 -1.97 -1.35 113.55 117.69 3bg5 h SER 943 Ca 0.61 -0.19 -0.21 0.00 -0.47 0.00 0.00 61.79 61.53 3bg5 h SER 943 Cb 1.05 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 3bg5 h SER 943 CO -0.43 0.78 -0.94 1.62 -0.87 0.00 0.00 176.83 176.98 3bg5 h VAL 944 N 0.44 1.51 0.05 0.95 3.04 -1.24 -2.05 116.25 118.95 3bg5 h VAL 944 Ca 0.06 -2.74 -0.27 0.00 -1.01 0.00 0.00 66.70 62.74 3bg5 h VAL 944 Cb 0.72 2.56 0.02 0.00 -2.01 0.00 0.00 31.29 32.58 3bg5 h VAL 944 CO 0.06 0.80 -1.10 -0.37 -1.01 0.00 0.00 177.57 175.94 3bg5 h VAL 945 N 0.10 1.29 -0.83 1.51 -1.51 -1.52 -3.27 116.25 112.02 3bg5 h VAL 945 Ca -0.06 -2.32 0.19 0.00 -1.23 0.00 0.00 66.70 63.28 3bg5 h VAL 945 Cb 1.60 2.53 -0.05 0.00 -2.13 0.00 0.00 31.29 33.23 3bg5 h VAL 945 CO 0.15 0.71 0.56 -1.28 -1.23 0.00 0.00 177.57 176.48 3bg5 h SER 946 N 0.31 0.30 -0.23 4.19 0.87 -1.18 -1.48 113.55 116.33 3bg5 h SER 946 Ca -0.15 0.03 -0.20 0.00 -1.23 0.00 0.00 61.79 60.24 3bg5 h SER 946 Cb 1.77 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.70 3bg5 h SER 946 CO 0.21 0.13 -0.63 0.15 -0.53 0.00 0.00 176.83 176.16 3bg5 h PHE 947 N 0.30 1.08 0.00 2.24 -0.00 -1.42 -1.10 116.94 118.04 3bg5 h PHE 947 Ca 0.42 -0.42 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 3bg5 h PHE 947 Cb 1.17 -0.19 0.00 0.00 -0.00 0.00 0.00 35.95 36.92 3bg5 h PHE 947 CO -0.00 1.25 0.00 1.19 -0.00 0.00 0.00 178.31 180.75 3bg5 n PHE 948 N -3.98 0.75 0.20 0.41 3.01 -0.74 -1.93 117.46 115.19 3bg5 n PHE 948 Ca -0.05 0.22 0.09 0.00 1.01 0.00 0.00 57.45 58.72 3bg5 n PHE 948 Cb 0.67 -0.86 0.13 0.00 -0.01 0.00 0.00 39.48 39.41 3bg5 n PHE 948 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3bg5 h LYS 949 N 0.00 0.00 0.00 -1.08 3.64 -1.24 -3.42 116.57 114.47 3bg5 h LYS 949 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3bg5 h LYS 949 Cb 0.68 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3bg5 h LYS 949 CO 0.00 0.14 0.00 0.41 -2.27 0.00 0.00 179.45 177.73 3bg5 n GLY 950 N 1.14 0.85 0.01 5.01 0.00 -0.81 -1.76 105.19 109.63 3bg5 n GLY 950 Ca 0.03 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.59 3bg5 n GLY 950 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3bg5 n GLU 951 N -1.79 0.02 -0.08 1.61 1.02 -0.45 -2.28 120.64 118.70 3bg5 n GLU 951 Ca 0.00 0.15 0.05 0.00 -0.02 0.00 0.00 57.16 57.34 3bg5 n GLU 951 Cb 0.14 -1.53 0.09 0.00 -0.02 0.00 0.00 31.44 30.12 3bg5 n GLU 951 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3bg5 n ILE 952 N -1.57 0.50 0.00 -3.67 5.41 -1.26 -2.93 119.36 115.83 3bg5 n ILE 952 Ca 0.05 -0.75 0.00 0.00 1.00 0.00 0.00 62.75 63.05 3bg5 n ILE 952 Cb 0.26 0.86 0.00 0.00 -0.71 0.00 0.00 39.64 40.05 3bg5 n ILE 952 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bg5 n GLY 953 N 0.50 -0.90 3.23 7.39 0.00 -0.96 -4.81 105.19 109.64 3bg5 n GLY 953 Ca 0.08 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 3bg5 n GLY 953 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bg5 s GLN 954 N -0.00 3.20 0.23 1.61 -1.52 -1.26 -4.58 119.66 117.34 3bg5 s GLN 954 Ca 0.00 -0.73 -0.30 0.00 -1.95 0.00 0.00 55.36 52.39 3bg5 s GLN 954 Cb 0.00 -2.75 -0.09 0.00 -0.22 0.00 0.00 33.01 29.95 3bg5 s GLN 954 CO 0.00 -0.14 1.11 -1.25 -0.25 0.00 0.00 175.29 174.76 3bg5 s PRO 955 N 1.22 4.61 0.20 2.91 0.04 -1.26 -4.87 135.00 137.85 3bg5 s PRO 955 Ca 0.02 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 3bg5 s PRO 955 Cb -0.14 -3.23 0.44 0.00 0.04 0.00 0.00 34.50 31.62 3bg5 s PRO 955 CO -0.06 0.13 1.03 0.28 0.04 0.00 0.00 177.00 178.43 3bg5 n VAL 956 N 1.76 -0.28 -0.13 -0.36 0.31 -1.26 0.13 118.33 118.49 3bg5 n VAL 956 Ca 0.01 1.47 0.07 0.00 -0.01 0.00 0.00 64.34 65.88 3bg5 n VAL 956 Cb 0.45 -2.11 0.28 0.00 -0.91 0.00 0.00 33.84 31.55 3bg5 n VAL 956 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3bg5 n ASN 957 N -4.93 3.86 0.00 4.52 4.13 -1.26 -5.05 115.26 116.53 3bg5 n ASN 957 Ca 0.14 -2.38 0.00 0.00 1.68 0.00 0.00 54.58 54.02 3bg5 n ASN 957 Cb 0.45 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 3bg5 n ASN 957 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bg5 n GLY 958 N 0.89 1.27 3.48 7.41 0.00 0.35 -4.84 105.19 113.74 3bg5 n GLY 958 Ca 0.20 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 3bg5 n GLY 958 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bg5 s PHE 959 N 0.00 1.94 -0.18 1.61 0.40 -1.26 -4.71 117.98 115.79 3bg5 s PHE 959 Ca 0.00 -1.01 -0.21 0.00 -0.60 0.00 0.00 56.93 55.11 3bg5 s PHE 959 Cb 0.00 -1.29 -0.03 0.00 0.51 0.00 0.00 43.02 42.22 3bg5 s PHE 959 CO 0.00 -0.03 0.65 -0.80 0.70 0.00 0.00 175.22 175.74 3bg5 s ASN 960 N -3.53 6.74 0.16 1.36 -0.87 -1.26 -4.98 114.94 112.57 3bg5 s ASN 960 Ca 0.33 0.90 -0.27 0.00 -1.57 0.00 0.00 52.86 52.25 3bg5 s ASN 960 Cb 0.07 -2.36 0.00 0.00 -0.02 0.00 0.00 41.25 38.94 3bg5 s ASN 960 CO 0.15 -0.26 1.56 0.50 -2.57 0.00 0.00 177.10 176.48 3bg5 h LYS 961 N 7.35 -0.23 -0.21 -0.60 3.64 -2.00 0.48 116.57 125.01 3bg5 h LYS 961 Ca -0.33 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.99 3bg5 h LYS 961 Cb 1.15 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3bg5 h LYS 961 CO 0.78 -0.15 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.15 3bg5 h ASP 962 N -0.24 0.37 -0.71 4.20 3.45 -2.00 -0.07 116.42 121.42 3bg5 h ASP 962 Ca 0.16 -0.11 -0.03 0.00 0.43 0.00 0.00 57.03 57.48 3bg5 h ASP 962 Cb 0.56 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.20 3bg5 h ASP 962 CO -0.70 0.60 0.33 0.25 -1.57 0.00 0.00 179.24 178.15 3bg5 h LEU 963 N 0.34 0.94 0.16 1.55 5.85 -1.43 -3.33 115.31 119.39 3bg5 h LEU 963 Ca 0.06 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3bg5 h LEU 963 Cb 0.57 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3bg5 h LEU 963 CO 0.04 0.81 -0.08 -0.61 -0.34 0.00 0.00 178.44 178.27 3bg5 h GLN 964 N 0.99 -0.21 -0.99 1.25 4.15 0.48 -3.39 115.11 117.40 3bg5 h GLN 964 Ca 0.24 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.82 3bg5 h GLN 964 Cb 0.13 0.05 -0.15 0.00 0.21 0.00 0.00 27.48 27.71 3bg5 h GLN 964 CO -0.03 0.13 -0.42 0.00 -1.93 0.00 0.00 178.83 176.58 3bg5 h ALA 965 N -0.62 0.06 0.00 3.38 0.00 -1.13 0.36 119.26 121.31 3bg5 h ALA 965 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3bg5 h ALA 965 Cb 0.43 1.06 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3bg5 h ALA 965 CO 0.04 -0.67 0.06 1.33 0.00 0.00 0.00 179.25 180.00 3bg5 n VAL 966 N -5.44 1.26 -0.07 0.00 0.24 -1.25 -1.72 118.33 111.34 3bg5 n VAL 966 Ca 0.09 0.37 -0.07 0.00 -2.04 0.00 0.00 64.34 62.69 3bg5 n VAL 966 Cb 0.38 -1.37 -0.12 0.00 -1.47 0.00 0.00 33.84 31.26 3bg5 n VAL 966 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3bg5 n ILE 967 N -1.29 0.99 0.29 1.34 5.41 0.11 -4.33 119.36 121.88 3bg5 n ILE 967 Ca 0.00 -0.62 0.05 0.00 1.00 0.00 0.00 62.75 63.18 3bg5 n ILE 967 Cb 0.06 -0.59 -0.07 0.00 -0.71 0.00 0.00 39.64 38.33 3bg5 n ILE 967 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3bg5 n LEU 968 N -2.53 0.29 -3.73 1.39 -0.00 -0.70 -4.93 117.00 106.79 3bg5 n LEU 968 Ca -0.23 -0.31 -0.49 0.00 -0.00 0.00 0.00 56.01 54.97 3bg5 n LEU 968 Cb 0.97 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 44.32 3bg5 n LEU 968 CO 0.31 0.07 0.51 0.29 -0.00 0.00 0.00 177.39 178.57 3bg5 n LYS 969 N -1.47 0.00 0.00 1.47 4.76 -0.96 -4.11 118.16 117.84 3bg5 n LYS 969 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3bg5 n LYS 969 Cb 0.20 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.15 3bg5 n LYS 969 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3bg5 n GLY 970 N 1.41 0.98 2.33 0.72 0.00 -1.26 -5.05 105.19 104.31 3bg5 n GLY 970 Ca 0.17 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 3bg5 n GLY 970 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bg5 n GLN 971 N 0.00 0.02 -0.47 1.61 -0.00 -1.26 -5.14 117.38 112.14 3bg5 n GLN 971 Ca 0.00 -1.56 0.00 0.00 -0.00 0.00 0.00 57.00 55.44 3bg5 n GLN 971 Cb 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 30.24 29.77 3bg5 n GLN 971 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 3bg5 n GLU 972 N -2.21 0.00 -2.13 2.61 -0.00 -1.26 -4.91 120.64 112.74 3bg5 n GLU 972 Ca 0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.85 3bg5 n GLU 972 Cb 0.35 0.00 -0.02 0.00 -0.00 0.00 0.00 31.44 31.77 3bg5 n GLU 972 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3bg5 s ALA 973 N -1.74 3.50 -0.13 -1.84 0.00 -1.26 -4.89 121.76 115.40 3bg5 s ALA 973 Ca 0.00 1.24 -0.03 0.00 0.00 0.00 0.00 51.96 53.17 3bg5 s ALA 973 Cb 0.00 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 3bg5 s ALA 973 CO 0.00 -0.62 -0.03 -0.51 0.00 0.00 0.00 175.76 174.60 3bg5 s LEU 974 N -1.65 3.33 -0.01 0.00 1.43 -0.72 -5.04 118.68 116.03 3bg5 s LEU 974 Ca 0.49 -0.05 0.16 0.00 -1.03 0.00 0.00 54.13 53.71 3bg5 s LEU 974 Cb -0.39 -1.78 -0.19 0.00 0.03 0.00 0.00 46.19 43.86 3bg5 s LEU 974 CO 0.51 0.24 0.66 1.07 0.23 0.00 0.00 176.35 179.07 3bg5 n THR 975 N 3.03 1.26 -2.53 5.49 5.66 -1.26 -4.58 114.28 121.36 3bg5 n THR 975 Ca -0.18 -0.73 -0.28 0.00 -3.05 0.00 0.00 64.05 59.82 3bg5 n THR 975 Cb 0.53 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 3bg5 n THR 975 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3bg5 s ALA 976 N -2.81 3.36 -0.04 1.79 0.00 -1.26 -4.95 121.76 117.85 3bg5 s ALA 976 Ca -0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.13 3bg5 s ALA 976 Cb 0.08 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 20.50 3bg5 s ALA 976 CO 0.82 -0.45 1.72 -0.98 0.00 0.00 0.00 175.76 176.88 3bg5 s ARG 977 N -4.82 4.17 0.46 0.00 1.04 -1.26 -4.87 118.95 113.66 3bg5 s ARG 977 Ca 0.49 2.27 0.30 0.00 -1.04 0.00 0.00 55.73 57.76 3bg5 s ARG 977 Cb -0.10 -4.02 1.40 0.00 -2.04 0.00 0.00 34.95 30.19 3bg5 s ARG 977 CO 0.46 -0.87 1.68 -1.35 -0.04 0.00 0.00 175.30 175.17 3bg5 h PRO 978 N 9.77 0.13 -0.80 3.89 0.11 -1.92 -2.22 132.00 140.96 3bg5 h PRO 978 Ca -0.41 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.90 3bg5 h PRO 978 Cb 1.19 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3bg5 h PRO 978 CO 0.95 0.09 0.56 0.78 -0.21 0.00 0.00 178.00 180.16 3bg5 h GLY 979 N 0.14 0.33 1.36 -0.55 0.00 -1.90 -1.66 103.07 100.80 3bg5 h GLY 979 Ca 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 48.00 3bg5 h GLY 979 CO -0.29 0.00 -0.43 -1.84 0.00 0.00 0.00 176.54 173.99 3bg5 n GLU 980 N -4.39 0.20 -0.10 4.80 0.28 -0.83 -3.98 120.64 116.63 3bg5 n GLU 980 Ca 0.16 0.08 -0.13 0.00 -0.16 0.00 0.00 57.16 57.12 3bg5 n GLU 980 Cb 0.76 -1.65 -0.10 0.00 1.43 0.00 0.00 31.44 31.87 3bg5 n GLU 980 CO 0.00 0.00 0.00 2.48 -0.16 0.00 0.00 177.13 179.45 3bg5 n TYR 981 N -1.96 0.00 -1.68 -1.84 0.18 -1.00 -4.99 117.16 105.88 3bg5 n TYR 981 Ca 0.04 0.00 -0.45 0.00 1.88 0.00 0.00 57.90 59.37 3bg5 n TYR 981 Cb 0.41 -0.80 -0.04 0.00 -0.38 0.00 0.00 39.34 38.53 3bg5 n TYR 981 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3bg5 n LEU 982 N -2.97 3.59 -4.77 -3.48 4.77 -0.66 -4.92 117.00 108.56 3bg5 n LEU 982 Ca -0.34 1.01 -0.38 0.00 -0.03 0.00 0.00 56.01 56.27 3bg5 n LEU 982 Cb 0.93 -1.46 -0.04 0.00 -2.33 0.00 0.00 43.42 40.51 3bg5 n LEU 982 CO 0.24 -0.03 0.75 -1.83 -1.33 0.00 0.00 177.39 175.20 3bg5 s GLU 983 N 2.56 4.35 0.16 3.23 -1.05 -1.26 -4.73 118.70 121.96 3bg5 s GLU 983 Ca 0.84 1.61 -0.34 0.00 -0.15 0.00 0.00 54.97 56.93 3bg5 s GLU 983 Cb -0.60 -2.79 -0.14 0.00 -0.44 0.00 0.00 34.13 30.16 3bg5 s GLU 983 CO 0.41 0.00 1.59 -0.35 0.95 0.00 0.00 175.26 177.87 3bg5 n PRO 984 N 0.42 2.19 -2.10 -4.83 -0.04 -1.26 -4.78 135.00 124.59 3bg5 n PRO 984 Ca 0.03 0.79 -0.41 0.00 -0.04 0.00 0.00 63.50 63.86 3bg5 n PRO 984 Cb 0.48 -2.56 -0.02 0.00 -0.04 0.00 0.00 33.50 31.35 3bg5 n PRO 984 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3bg5 s VAL 985 N 1.02 2.84 -0.72 0.52 1.01 -1.26 -4.96 120.40 118.85 3bg5 s VAL 985 Ca 0.79 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 63.25 3bg5 s VAL 985 Cb -0.67 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.28 3bg5 s VAL 985 CO 0.38 0.13 1.21 -0.62 0.00 0.00 0.00 175.10 176.19 3bg5 s ASP 986 N 0.13 6.16 0.49 3.32 -1.08 -1.26 -4.86 116.67 119.58 3bg5 s ASP 986 Ca 0.56 -0.58 0.28 0.00 -0.52 0.00 0.00 52.55 52.29 3bg5 s ASP 986 Cb -0.40 -2.53 1.05 0.00 -1.46 0.00 0.00 42.92 39.58 3bg5 s ASP 986 CO 0.44 -1.75 1.87 -0.26 0.52 0.00 0.00 175.17 175.99 3bg5 h PHE 987 N 9.92 0.00 -0.11 -5.34 0.05 -1.99 -2.77 116.94 116.70 3bg5 h PHE 987 Ca -0.28 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.41 3bg5 h PHE 987 Cb 1.05 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.01 3bg5 h PHE 987 CO 1.09 0.09 -0.30 0.93 -0.18 0.00 0.00 178.31 179.94 3bg5 h GLU 988 N 0.00 0.40 -0.24 1.51 4.39 -1.99 -1.08 114.58 117.57 3bg5 h GLU 988 Ca -0.00 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 3bg5 h GLU 988 Cb 0.68 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3bg5 h GLU 988 CO 0.01 0.90 -0.04 0.87 -1.16 0.00 0.00 179.01 179.59 3bg5 h LYS 989 N -0.03 0.36 -0.17 2.33 1.57 -1.97 -1.86 116.57 116.80 3bg5 h LYS 989 Ca -0.01 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.61 3bg5 h LYS 989 Cb 0.92 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 3bg5 h LYS 989 CO 0.07 0.42 -0.26 0.28 -0.57 0.00 0.00 179.45 179.39 3bg5 h VAL 990 N 0.35 1.35 -0.35 0.50 2.07 -1.48 -2.14 116.25 116.54 3bg5 h VAL 990 Ca 0.08 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.19 3bg5 h VAL 990 Cb 0.31 1.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.88 3bg5 h VAL 990 CO 0.01 0.44 -0.36 -0.09 0.02 0.00 0.00 177.57 177.60 3bg5 h ARG 991 N 0.12 -0.29 -0.77 1.57 9.65 -0.97 -2.57 114.38 121.12 3bg5 h ARG 991 Ca 0.02 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.00 3bg5 h ARG 991 Cb 0.83 0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 29.41 3bg5 h ARG 991 CO 0.06 -0.19 0.44 0.93 2.80 0.00 0.00 179.97 184.00 3bg5 h GLU 992 N -0.30 0.73 -0.44 0.20 5.08 -1.27 -0.78 114.58 117.80 3bg5 h GLU 992 Ca 0.15 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3bg5 h GLU 992 Cb 0.56 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3bg5 h GLU 992 CO -0.52 0.49 0.18 1.25 -1.00 0.00 0.00 179.01 179.41 3bg5 h LEU 993 N 0.76 0.60 -0.43 1.33 5.85 -1.01 -1.85 115.31 120.55 3bg5 h LEU 993 Ca 0.36 -0.16 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 3bg5 h LEU 993 Cb 0.30 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3bg5 h LEU 993 CO -0.23 0.60 -0.77 -0.07 -0.34 0.00 0.00 178.44 177.64 3bg5 h LEU 994 N 0.57 0.25 -2.16 2.25 3.38 -1.24 -2.55 115.31 115.81 3bg5 h LEU 994 Ca 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3bg5 h LEU 994 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3bg5 h LEU 994 CO -0.01 0.92 -0.04 -0.33 0.09 0.00 0.00 178.44 179.06 3bg5 h GLU 995 N 0.13 0.00 0.00 1.13 4.39 -0.91 -2.63 114.58 116.68 3bg5 h GLU 995 Ca -0.03 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 3bg5 h GLU 995 Cb 1.35 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.98 3bg5 h GLU 995 CO 0.12 0.04 -0.73 0.93 -1.16 0.00 0.00 179.01 178.21 3bg5 h GLU 996 N 0.00 0.00 0.60 2.33 4.39 -1.03 -3.37 114.58 117.50 3bg5 h GLU 996 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3bg5 h GLU 996 Cb 0.27 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3bg5 h GLU 996 CO 0.01 0.71 -0.29 0.93 -1.16 0.00 0.00 179.01 179.21 3bg5 h GLU 997 N -1.00 -0.78 -7.01 2.33 5.08 -1.50 -3.40 114.58 108.30 3bg5 h GLU 997 Ca -0.18 0.05 -0.48 0.00 -1.00 0.00 0.00 59.36 57.75 3bg5 h GLU 997 Cb 0.97 0.18 0.01 0.00 0.50 0.00 0.00 28.75 30.40 3bg5 h GLU 997 CO -0.11 -0.50 0.24 -0.65 -1.00 0.00 0.00 179.01 176.99 3bg5 s GLN 998 N -5.90 3.86 -0.60 2.33 -0.21 -0.99 -5.05 119.66 113.09 3bg5 s GLN 998 Ca -0.17 0.70 0.06 0.00 0.02 0.00 0.00 55.36 55.98 3bg5 s GLN 998 Cb 0.03 -2.27 0.25 0.00 1.00 0.00 0.00 33.01 32.03 3bg5 s GLN 998 CO 0.61 -0.15 0.72 1.04 -2.12 0.00 0.00 175.29 175.39 3bg5 n GLN 999 N -1.44 2.27 0.00 2.91 6.02 -1.26 -4.32 117.38 121.56 3bg5 n GLN 999 Ca 0.04 -4.45 0.00 0.00 -0.01 0.00 0.00 57.00 52.58 3bg5 n GLN 999 Cb 0.54 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.71 3bg5 n GLN 999 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3bg5 n GLY 1000N 0.88 -0.99 3.69 1.08 0.00 -1.26 -5.11 105.19 103.48 3bg5 n GLY 1000Ca 0.29 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 3bg5 n GLY 1000CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bg5 s PRO 1001N -0.29 4.45 -0.04 1.61 0.04 -1.26 -4.84 135.00 134.67 3bg5 s PRO 1001Ca 0.00 1.42 0.04 0.00 0.04 0.00 0.00 61.00 62.49 3bg5 s PRO 1001Cb 0.00 -3.52 -0.00 0.00 0.04 0.00 0.00 34.50 31.01 3bg5 s PRO 1001CO 0.00 -0.27 -0.15 0.08 0.04 0.00 0.00 177.00 176.70 3bg5 s VAL 1002N 1.81 1.28 0.48 -0.36 1.01 -1.26 -5.11 120.40 118.26 3bg5 s VAL 1002Ca 0.50 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3bg5 s VAL 1002Cb -0.19 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.12 3bg5 s VAL 1002CO 0.20 0.37 0.66 0.42 0.00 0.00 0.00 175.10 176.76 3bg5 s THR 1003N 0.04 2.64 0.26 3.92 -4.23 -1.26 -5.01 115.64 112.00 3bg5 s THR 1003Ca -0.03 -1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.45 3bg5 s THR 1003Cb -0.10 -2.64 0.16 0.00 1.34 0.00 0.00 72.50 71.25 3bg5 s THR 1003CO 0.02 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 175.58 3bg5 h GLU 1004N 0.45 0.93 -0.33 3.99 4.39 -2.01 -2.70 114.58 119.30 3bg5 h GLU 1004Ca -0.36 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.20 3bg5 h GLU 1004Cb 1.28 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 3bg5 h GLU 1004CO 0.43 0.81 0.09 1.96 -1.16 0.00 0.00 179.01 181.13 3bg5 h GLN 1005N 0.90 0.20 -0.59 2.33 4.20 -1.98 -1.94 115.11 118.24 3bg5 h GLN 1005Ca 0.20 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.02 3bg5 h GLN 1005Cb 0.27 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.90 3bg5 h GLN 1005CO -0.01 0.14 -0.06 -0.44 -0.67 0.00 0.00 178.83 177.79 3bg5 h ASP 1006N 0.21 -0.38 0.89 1.46 3.32 -1.88 -1.77 116.42 118.27 3bg5 h ASP 1006Ca 0.15 0.16 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 3bg5 h ASP 1006Cb 0.15 0.30 0.01 0.00 0.22 0.00 0.00 39.33 40.02 3bg5 h ASP 1006CO -0.19 -0.15 -0.43 0.40 -1.72 0.00 0.00 179.24 177.16 3bg5 h ILE 1007N 0.06 0.00 -0.04 0.35 2.04 -1.09 -0.55 117.51 118.29 3bg5 h ILE 1007Ca 0.30 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 3bg5 h ILE 1007Cb 0.47 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3bg5 h ILE 1007CO -0.55 0.00 -0.33 0.16 0.00 0.00 0.00 178.15 177.44 3bg5 h ILE 1008N -1.32 1.25 -0.40 -0.67 -0.00 -1.56 -1.45 117.51 113.37 3bg5 h ILE 1008Ca -0.12 -1.18 0.08 0.00 -0.00 0.00 0.00 64.86 63.64 3bg5 h ILE 1008Cb 0.91 1.59 -0.08 0.00 -0.00 0.00 0.00 36.82 39.25 3bg5 h ILE 1008CO 0.20 0.34 -0.11 0.28 -0.00 0.00 0.00 178.15 178.86 3bg5 h SER 1009N 0.06 -0.41 -0.09 2.16 0.02 -1.16 0.46 113.55 114.58 3bg5 h SER 1009Ca 0.01 0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 3bg5 h SER 1009Cb 0.61 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 3bg5 h SER 1009CO 0.04 -0.15 -0.30 0.22 -1.14 0.00 0.00 176.83 175.51 3bg5 h TYR 1010N -0.02 0.65 -0.29 3.45 3.20 -0.56 0.57 116.97 123.98 3bg5 h TYR 1010Ca 0.19 -0.16 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 3bg5 h TYR 1010Cb 0.31 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3bg5 h TYR 1010CO -0.37 0.81 -0.45 0.28 -1.64 0.00 0.00 178.16 176.79 3bg5 h VAL 1011N 0.49 1.29 -0.32 1.81 2.07 -0.77 -1.01 116.25 119.81 3bg5 h VAL 1011Ca 0.06 -1.64 -0.14 0.00 0.82 0.00 0.00 66.70 65.80 3bg5 h VAL 1011Cb 0.77 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 3bg5 h VAL 1011CO 0.06 0.53 -0.37 -0.07 0.02 0.00 0.00 177.57 177.74 3bg5 h LEU 1012N 0.59 0.80 -5.96 2.57 3.38 0.07 -3.40 115.31 113.35 3bg5 h LEU 1012Ca 0.04 -0.35 -0.53 0.00 0.09 0.00 0.00 57.88 57.13 3bg5 h LEU 1012Cb 1.01 -0.22 -0.36 0.00 0.09 0.00 0.00 40.66 41.18 3bg5 h LEU 1012CO 0.10 1.09 -1.01 -1.22 0.09 0.00 0.00 178.44 177.48 3bg5 n TYR 1013N -4.05 -0.84 0.00 1.13 4.02 0.18 -4.87 117.16 112.74 3bg5 n TYR 1013Ca -0.02 -3.29 0.00 0.00 -0.01 0.00 0.00 57.90 54.58 3bg5 n TYR 1013Cb 0.52 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 3bg5 n TYR 1013CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 3bg5 n PRO 1014N 1.77 0.00 0.01 -0.72 -0.02 -0.39 -0.45 135.00 135.20 3bg5 n PRO 1014Ca 0.22 0.73 -0.11 0.00 -2.02 0.00 0.00 63.50 62.32 3bg5 n PRO 1014Cb 0.53 -1.38 -0.06 0.00 -0.02 0.00 0.00 33.50 32.57 3bg5 n PRO 1014CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3bg5 h LYS 1015N 0.00 0.10 -0.50 -0.52 1.57 -1.97 -1.89 116.57 113.37 3bg5 h LYS 1015Ca 0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3bg5 h LYS 1015Cb 0.00 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3bg5 h LYS 1015CO 0.00 0.09 0.31 0.28 -0.57 0.00 0.00 179.45 179.55 3bg5 h VAL 1016N 0.09 1.08 0.10 0.50 2.07 -1.97 -0.15 116.25 117.97 3bg5 h VAL 1016Ca 0.03 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3bg5 h VAL 1016Cb 0.01 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3bg5 h VAL 1016CO -0.01 0.11 -0.05 0.22 0.02 0.00 0.00 177.57 177.87 3bg5 h TYR 1017N 0.62 -0.12 -0.61 1.57 3.20 -0.65 -1.79 116.97 119.19 3bg5 h TYR 1017Ca 0.19 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.17 3bg5 h TYR 1017Cb -0.02 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.21 3bg5 h TYR 1017CO -0.06 0.02 0.17 0.93 -1.64 0.00 0.00 178.16 177.58 3bg5 h GLU 1018N -0.24 0.31 -0.36 1.82 4.39 -0.84 -0.88 114.58 118.78 3bg5 h GLU 1018Ca -0.01 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 3bg5 h GLU 1018Cb 0.20 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 3bg5 h GLU 1018CO 0.02 0.20 0.00 1.96 -1.16 0.00 0.00 179.01 180.04 3bg5 h GLN 1019N 0.32 0.56 -0.71 2.33 4.20 -0.88 -1.23 115.11 119.70 3bg5 h GLN 1019Ca 0.32 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 3bg5 h GLN 1019Cb 0.45 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3bg5 h GLN 1019CO -0.37 0.59 0.32 -0.92 -0.67 0.00 0.00 178.83 177.78 3bg5 h TYR 1020N 0.54 1.04 -0.14 2.96 3.20 -0.29 -1.39 116.97 122.89 3bg5 h TYR 1020Ca 0.11 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3bg5 h TYR 1020Cb 0.34 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3bg5 h TYR 1020CO 0.01 0.78 0.06 0.82 -1.64 0.00 0.00 178.16 178.19 3bg5 h ILE 1021N 1.00 1.15 -0.61 1.81 1.08 -0.65 0.66 117.51 121.94 3bg5 h ILE 1021Ca 0.24 -0.44 0.11 0.00 -0.39 0.00 0.00 64.86 64.39 3bg5 h ILE 1021Cb 0.15 1.18 -0.12 0.00 -3.07 0.00 0.00 36.82 34.96 3bg5 h ILE 1021CO -0.03 0.13 -0.29 1.56 -0.69 0.00 0.00 178.15 178.84 3bg5 h GLN 1022N 0.07 -0.12 -0.47 2.37 7.50 -1.12 -1.03 115.11 122.32 3bg5 h GLN 1022Ca 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.19 3bg5 h GLN 1022Cb 0.16 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 3bg5 h GLN 1022CO -0.00 -0.08 0.23 1.15 -1.50 0.00 0.00 178.83 178.62 3bg5 h THR 1023N -0.12 1.19 -0.45 -0.54 2.02 -0.97 -2.72 112.91 111.32 3bg5 h THR 1023Ca 0.26 -0.53 0.02 0.00 0.77 0.00 0.00 66.41 66.93 3bg5 h THR 1023Cb 0.54 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3bg5 h THR 1023CO -0.68 0.21 0.27 -0.09 0.37 0.00 0.00 175.52 175.59 3bg5 h ARG 1024N 0.62 0.52 -0.95 6.66 2.43 -0.30 0.18 114.38 123.55 3bg5 h ARG 1024Ca 0.16 -0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.41 3bg5 h ARG 1024Cb 0.12 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.47 3bg5 h ARG 1024CO -0.02 0.35 0.58 -0.91 -1.51 0.00 0.00 179.97 178.46 3bg5 h ASN 1025N 0.54 0.85 0.00 -3.80 -0.26 -1.15 0.76 115.58 112.53 3bg5 h ASN 1025Ca 0.18 0.05 -0.06 0.00 -0.56 0.00 0.00 56.30 55.90 3bg5 h ASN 1025Cb 0.00 -0.12 0.01 0.00 -1.06 0.00 0.00 38.32 37.14 3bg5 h ASN 1025CO -0.08 0.47 -0.25 -0.61 -1.06 0.00 0.00 177.43 175.90 3bg5 h GLN 1026N 0.94 0.16 -0.00 0.81 4.15 -1.05 -3.41 115.11 116.72 3bg5 h GLN 1026Ca 0.46 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.70 3bg5 h GLN 1026Cb 0.43 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.17 3bg5 h GLN 1026CO -0.25 0.94 -0.00 0.66 -1.93 0.00 0.00 178.83 178.24 3bg5 n TYR 1027N -4.50 0.00 -4.31 3.99 0.53 0.57 -4.82 117.16 108.63 3bg5 n TYR 1027Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 3bg5 n TYR 1027Cb 0.51 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.82 3bg5 n TYR 1027CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3bg5 n GLY 1028N 0.12 -0.69 3.54 2.72 0.00 0.25 -4.35 105.19 106.78 3bg5 n GLY 1028Ca 0.00 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 3bg5 n GLY 1028CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3bg5 s ASN 1029N -4.00 6.34 0.18 1.61 3.04 -1.26 -4.60 114.94 116.25 3bg5 s ASN 1029Ca 0.00 -0.25 0.25 0.00 0.04 0.00 0.00 52.86 52.90 3bg5 s ASN 1029Cb 0.00 -2.49 0.63 0.00 -1.54 0.00 0.00 41.25 37.84 3bg5 s ASN 1029CO 0.00 -1.41 1.60 0.18 -3.04 0.00 0.00 177.10 174.43 3bg5 n LEU 1030N 8.07 0.79 -0.32 3.21 4.77 -1.26 -3.95 117.00 128.31 3bg5 n LEU 1030Ca 0.04 0.45 0.31 0.00 -0.03 0.00 0.00 56.01 56.77 3bg5 n LEU 1030Cb 0.48 -0.26 0.67 0.00 -2.33 0.00 0.00 43.42 41.97 3bg5 n LEU 1030CO 0.67 -0.14 1.28 0.28 -1.33 0.00 0.00 177.39 178.16 3bg5 h SER 1031N 0.00 0.16 1.06 -1.43 0.02 -1.89 -2.01 113.55 109.45 3bg5 h SER 1031Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3bg5 h SER 1031Cb 0.75 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3bg5 h SER 1031CO 0.00 0.02 -0.34 0.18 -1.14 0.00 0.00 176.83 175.55 3bg5 n LEU 1032N -4.35 0.67 -4.76 5.07 4.77 -1.25 -3.94 117.00 113.20 3bg5 n LEU 1032Ca 0.25 0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 56.19 3bg5 n LEU 1032Cb 1.12 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.91 3bg5 n LEU 1032CO 0.35 -0.08 0.82 -0.76 -1.33 0.00 0.00 177.39 176.39 3bg5 s LEU 1033N -4.12 4.50 0.71 2.23 1.43 -0.76 -4.49 118.68 118.18 3bg5 s LEU 1033Ca 0.09 2.34 -0.15 0.00 -1.03 0.00 0.00 54.13 55.38 3bg5 s LEU 1033Cb 0.14 -3.67 0.03 0.00 0.03 0.00 0.00 46.19 42.72 3bg5 s LEU 1033CO 0.66 -0.25 1.17 1.51 0.23 0.00 0.00 176.35 179.67 3bg5 s ASP 1034N -0.85 4.51 0.09 2.29 1.47 -1.26 -4.77 116.67 118.15 3bg5 s ASP 1034Ca 0.46 2.22 -0.24 0.00 1.18 0.00 0.00 52.55 56.17 3bg5 s ASP 1034Cb -0.33 -2.57 -0.15 0.00 -0.34 0.00 0.00 42.92 39.53 3bg5 s ASP 1034CO 0.43 -2.05 1.72 0.74 0.68 0.00 0.00 175.17 176.69 3bg5 h THR 1035N -0.20 0.89 -0.97 2.11 2.02 -1.95 0.58 112.91 115.40 3bg5 h THR 1035Ca -0.47 0.00 0.16 0.00 0.77 0.00 0.00 66.41 66.86 3bg5 h THR 1035Cb 1.28 0.89 -0.10 0.00 -1.74 0.00 0.00 68.15 68.49 3bg5 h THR 1035CO 0.51 0.00 0.58 -0.65 0.37 0.00 0.00 175.52 176.33 3bg5 h PRO 1036N -0.13 0.79 -0.32 6.66 0.11 -1.93 0.37 132.00 137.56 3bg5 h PRO 1036Ca -0.01 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.89 3bg5 h PRO 1036Cb 0.11 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 3bg5 h PRO 1036CO 0.01 0.52 -0.43 1.15 -0.21 0.00 0.00 178.00 179.04 3bg5 h THR 1037N 0.81 1.28 -0.85 -1.15 2.02 -1.62 -0.15 112.91 113.25 3bg5 h THR 1037Ca 0.52 -1.61 0.05 0.00 0.77 0.00 0.00 66.41 66.14 3bg5 h THR 1037Cb 0.70 1.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.61 3bg5 h THR 1037CO -0.34 0.53 0.56 0.15 0.37 0.00 0.00 175.52 176.79 3bg5 h PHE 1038N 0.63 0.99 0.00 3.16 3.57 0.44 0.74 116.94 126.47 3bg5 h PHE 1038Ca 0.04 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.34 3bg5 h PHE 1038Cb 1.03 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 3bg5 h PHE 1038CO 0.07 0.55 -1.72 1.19 -2.23 0.00 0.00 178.31 176.17 3bg5 n PHE 1039N -4.47 0.72 -0.01 0.41 0.99 -0.01 -4.66 117.46 110.44 3bg5 n PHE 1039Ca 0.12 0.25 0.00 0.00 -0.00 0.00 0.00 57.45 57.82 3bg5 n PHE 1039Cb 0.16 -1.05 0.00 0.00 -1.00 0.00 0.00 39.48 37.59 3bg5 n PHE 1039CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3bg5 n PHE 1040N -2.85 0.00 -0.84 1.38 3.01 -0.08 -4.37 117.46 113.72 3bg5 n PHE 1040Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3bg5 n PHE 1040Cb 0.93 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.40 3bg5 n PHE 1040CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bg5 n GLY 1041N 0.71 1.04 3.12 1.37 0.00 0.25 -4.25 105.19 107.43 3bg5 n GLY 1041Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 3bg5 n GLY 1041CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bg5 s MET 1042N 0.00 0.69 0.11 1.61 -1.94 -1.26 -4.30 119.30 114.21 3bg5 s MET 1042Ca 0.00 -1.19 0.03 0.00 -1.71 0.00 0.00 55.69 52.82 3bg5 s MET 1042Cb 0.00 -0.05 -0.04 0.00 2.01 0.00 0.00 34.83 36.75 3bg5 s MET 1042CO 0.00 -0.04 0.16 0.50 -0.01 0.00 0.00 175.02 175.62 3bg5 s ARG 1043N -3.47 3.10 0.28 2.03 3.52 -1.26 -4.89 118.95 118.27 3bg5 s ARG 1043Ca 0.06 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 3bg5 s ARG 1043Cb 0.04 -2.82 -0.13 0.00 -1.56 0.00 0.00 34.95 30.48 3bg5 s ARG 1043CO -0.06 0.55 1.33 0.09 -0.81 0.00 0.00 175.30 176.40 3bg5 n ASN 1044N 0.04 2.65 0.00 -2.12 5.03 -1.26 -1.69 115.26 117.91 3bg5 n ASN 1044Ca -0.07 1.17 0.00 0.00 0.87 0.00 0.00 54.58 56.55 3bg5 n ASN 1044Cb 0.53 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.85 3bg5 n ASN 1044CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bg5 n GLY 1045N 1.53 0.43 3.83 7.41 0.00 0.84 -5.01 105.19 114.21 3bg5 n GLY 1045Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3bg5 n GLY 1045CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bg5 s GLU 1046N -0.61 4.15 -0.05 1.61 2.12 -0.68 -4.89 118.70 120.34 3bg5 s GLU 1046Ca 0.00 0.72 0.05 0.00 0.36 0.00 0.00 54.97 56.10 3bg5 s GLU 1046Cb 0.00 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.45 3bg5 s GLU 1046CO 0.00 0.44 -0.19 0.99 -0.54 0.00 0.00 175.26 175.96 3bg5 s THR 1047N -1.48 2.59 -0.04 -1.70 2.01 -1.26 -1.77 115.64 114.00 3bg5 s THR 1047Ca 0.40 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.53 3bg5 s THR 1047Cb -0.16 -1.98 0.01 0.00 0.01 0.00 0.00 72.50 70.38 3bg5 s THR 1047CO 0.20 0.58 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.95 3bg5 s VAL 1048N -0.51 0.71 -0.22 3.82 1.01 0.45 -4.98 120.40 120.68 3bg5 s VAL 1048Ca 0.07 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.61 3bg5 s VAL 1048Cb -0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3bg5 s VAL 1048CO 0.01 0.25 0.53 -1.61 0.00 0.00 0.00 175.10 174.28 3bg5 s GLU 1049N 0.64 4.15 -0.28 2.72 2.02 -1.26 -1.89 118.70 124.80 3bg5 s GLU 1049Ca -0.10 0.40 -0.06 0.00 0.02 0.00 0.00 54.97 55.24 3bg5 s GLU 1049Cb -0.13 -3.59 0.01 0.00 0.10 0.00 0.00 34.13 30.52 3bg5 s GLU 1049CO 0.01 -0.22 0.05 0.42 0.02 0.00 0.00 175.26 175.54 3bg5 s ILE 1050N 1.87 3.76 -0.14 -1.63 1.01 -0.39 -4.87 121.20 120.80 3bg5 s ILE 1050Ca 0.24 -0.72 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3bg5 s ILE 1050Cb -0.15 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 3bg5 s ILE 1050CO 0.09 0.13 1.25 -0.70 0.00 0.00 0.00 174.94 175.71 3bg5 s GLU 1051N 1.47 4.26 -0.21 2.79 2.12 -1.26 -0.59 118.70 127.27 3bg5 s GLU 1051Ca 0.02 1.66 0.02 0.00 0.36 0.00 0.00 54.97 57.04 3bg5 s GLU 1051Cb -0.17 -3.72 -0.14 0.00 0.26 0.00 0.00 34.13 30.36 3bg5 s GLU 1051CO 0.01 -0.65 -0.17 -0.89 -0.54 0.00 0.00 175.26 173.01 3bg5 n ILE 1052N 5.21 1.22 -3.82 -3.70 5.41 0.34 -4.90 119.36 119.11 3bg5 n ILE 1052Ca 0.13 -0.48 -0.06 0.00 1.00 0.00 0.00 62.75 63.34 3bg5 n ILE 1052Cb 0.45 -1.21 0.00 0.00 -0.71 0.00 0.00 39.64 38.17 3bg5 n ILE 1052CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3bg5 s ASP 1053N -6.01 -0.11 0.09 4.38 3.68 -1.02 -5.01 116.67 112.67 3bg5 s ASP 1053Ca -0.28 -0.74 -0.31 0.00 2.13 0.00 0.00 52.55 53.36 3bg5 s ASP 1053Cb 0.07 0.67 -0.10 0.00 -1.45 0.00 0.00 42.92 42.12 3bg5 s ASP 1053CO 0.50 -1.29 1.91 -0.75 0.13 0.00 0.00 175.17 175.67 3bg5 s LYS 1054N -2.95 4.14 0.00 4.34 2.20 -1.26 -1.42 119.74 124.78 3bg5 s LYS 1054Ca 0.15 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 3bg5 s LYS 1054Cb -0.04 -3.86 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 3bg5 s LYS 1054CO 0.07 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 3bg5 n GLY 1055N 4.40 0.48 3.11 5.54 0.00 -1.26 -5.00 105.19 112.47 3bg5 n GLY 1055Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3bg5 n GLY 1055CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bg5 s LYS 1056N -0.51 2.92 0.07 1.61 1.02 -0.51 -5.10 119.74 119.24 3bg5 s LYS 1056Ca 0.00 -0.80 -0.08 0.00 0.02 0.00 0.00 55.97 55.11 3bg5 s LYS 1056Cb 0.00 -2.51 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 3bg5 s LYS 1056CO 0.00 -0.19 0.15 -0.98 -0.92 0.00 0.00 175.35 173.41 3bg5 s ARG 1057N 1.26 0.75 -0.26 1.68 1.70 -1.26 -0.51 118.95 122.31 3bg5 s ARG 1057Ca 0.04 -0.89 -0.09 0.00 -0.47 0.00 0.00 55.73 54.32 3bg5 s ARG 1057Cb -0.13 0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.51 3bg5 s ARG 1057CO -0.12 -0.22 0.12 -0.51 -1.08 0.00 0.00 175.30 173.50 3bg5 s LEU 1058N -2.60 3.71 -0.52 -1.89 1.43 0.24 -4.93 118.68 114.12 3bg5 s LEU 1058Ca 0.02 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.87 3bg5 s LEU 1058Cb 0.03 -2.01 0.12 0.00 0.03 0.00 0.00 46.19 44.37 3bg5 s LEU 1058CO -0.08 -0.03 0.45 -0.63 0.23 0.00 0.00 176.35 176.28 3bg5 s ILE 1059N 1.62 4.94 -0.21 -0.59 -1.09 -1.26 -1.27 121.20 123.34 3bg5 s ILE 1059Ca 0.07 -1.55 -0.07 0.00 -2.23 0.00 0.00 60.65 56.87 3bg5 s ILE 1059Cb -0.15 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 3bg5 s ILE 1059CO 0.07 -0.83 0.05 -0.63 -1.23 0.00 0.00 174.94 172.37 3bg5 s ILE 1060N 1.54 4.39 -0.13 2.92 1.01 -0.79 -0.65 121.20 129.49 3bg5 s ILE 1060Ca 0.04 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 60.54 3bg5 s ILE 1060Cb -0.29 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.17 3bg5 s ILE 1060CO 0.02 0.41 -0.16 -0.75 0.00 0.00 0.00 174.94 174.45 3bg5 s LYS 1061N 0.97 3.26 -0.27 2.79 2.20 0.39 -0.41 119.74 128.67 3bg5 s LYS 1061Ca 0.03 -0.75 -0.16 0.00 -0.36 0.00 0.00 55.97 54.73 3bg5 s LYS 1061Cb -0.14 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 3bg5 s LYS 1061CO 0.03 0.16 0.43 -1.17 -0.36 0.00 0.00 175.35 174.44 3bg5 s LEU 1062N 0.45 4.04 0.00 5.43 0.20 -0.73 -0.14 118.68 127.93 3bg5 s LEU 1062Ca -0.12 0.38 0.00 0.00 0.69 0.00 0.00 54.13 55.08 3bg5 s LEU 1062Cb -0.16 -2.52 0.00 0.00 -0.43 0.00 0.00 46.19 43.08 3bg5 s LEU 1062CO 0.05 -0.22 0.00 -0.62 -0.29 0.00 0.00 176.35 175.27 3bg5 n GLU 1063N 5.40 0.00 -4.08 1.98 1.02 0.59 -0.12 120.64 125.43 3bg5 n GLU 1063Ca -0.07 0.34 -0.11 0.00 -0.02 0.00 0.00 57.16 57.30 3bg5 n GLU 1063Cb 0.50 -0.83 -0.07 0.00 -0.02 0.00 0.00 31.44 31.03 3bg5 n GLU 1063CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3bg5 s THR 1064N -0.93 0.00 -0.07 2.62 -4.23 -1.23 -3.53 115.64 108.28 3bg5 s THR 1064Ca 0.00 -1.64 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 3bg5 s THR 1064Cb 0.00 -2.36 -0.02 0.00 1.34 0.00 0.00 72.50 71.46 3bg5 s THR 1064CO 0.00 0.00 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.26 3bg5 s ILE 1065N -3.93 2.64 0.80 2.99 1.01 -1.26 -0.86 121.20 122.58 3bg5 s ILE 1065Ca 0.29 -0.85 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 3bg5 s ILE 1065Cb 0.02 -2.02 0.09 0.00 0.01 0.00 0.00 42.46 40.56 3bg5 s ILE 1065CO 0.12 0.57 1.15 -0.94 0.00 0.00 0.00 174.94 175.83 3bg5 s SER 1066N -0.26 4.41 0.66 3.58 1.04 0.17 -4.95 113.70 118.34 3bg5 s SER 1066Ca 0.01 0.60 -0.17 0.00 0.48 0.00 0.00 55.95 56.87 3bg5 s SER 1066Cb -0.13 -1.07 -0.00 0.00 0.10 0.00 0.00 66.02 64.92 3bg5 s SER 1066CO 0.03 -1.92 1.18 -1.61 0.98 0.00 0.00 173.24 171.90 3bg5 s GLU 1067N -5.51 2.64 0.11 4.02 0.41 -1.26 -4.36 118.70 114.74 3bg5 s GLU 1067Ca 0.63 1.71 -0.31 0.00 -0.41 0.00 0.00 54.97 56.59 3bg5 s GLU 1067Cb -0.10 -1.90 -0.10 0.00 -1.78 0.00 0.00 34.13 30.25 3bg5 s GLU 1067CO 0.48 -1.44 1.77 -1.25 -0.49 0.00 0.00 175.26 174.33 3bg5 s PRO 1068N -3.70 4.16 1.07 0.39 0.04 -1.26 -4.43 135.00 131.26 3bg5 s PRO 1068Ca 0.74 2.51 -0.17 0.00 0.04 0.00 0.00 61.00 64.12 3bg5 s PRO 1068Cb -0.28 -3.57 0.23 0.00 0.04 0.00 0.00 34.50 30.93 3bg5 s PRO 1068CO 0.39 -0.80 1.22 0.16 0.04 0.00 0.00 177.00 178.01 3bg5 s ASP 1069N 2.55 2.16 0.00 6.66 3.84 -0.52 -4.75 116.67 126.61 3bg5 s ASP 1069Ca 0.78 0.46 0.00 0.00 -0.00 0.00 0.00 52.55 53.80 3bg5 s ASP 1069Cb -0.44 -0.62 0.00 0.00 -1.38 0.00 0.00 42.92 40.48 3bg5 s ASP 1069CO 0.35 -3.34 0.09 -1.84 -0.00 0.00 0.00 175.17 170.43 3bg5 n GLU 1070N -4.21 0.09 0.00 2.11 -0.00 -1.26 0.32 120.64 117.70 3bg5 n GLU 1070Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 3bg5 n GLU 1070Cb 0.59 -1.42 0.00 0.00 -0.00 0.00 0.00 31.44 30.61 3bg5 n GLU 1070CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3bg5 n ASN 1071N 0.92 0.00 -0.19 -1.84 4.13 -1.26 -4.99 115.26 112.02 3bg5 n ASN 1071Ca 0.00 -0.78 -0.03 0.00 1.68 0.00 0.00 54.58 55.45 3bg5 n ASN 1071Cb 0.04 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.27 3bg5 n ASN 1071CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bg5 n GLY 1072N 0.00 0.58 3.53 7.41 0.00 0.15 -4.90 105.19 111.96 3bg5 n GLY 1072Ca 0.00 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3bg5 n GLY 1072CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3bg5 s ASN 1073N -2.55 6.29 0.28 1.61 0.01 -1.25 0.11 114.94 119.44 3bg5 s ASN 1073Ca 0.00 -0.28 -0.13 0.00 -0.71 0.00 0.00 52.86 51.74 3bg5 s ASN 1073Cb 0.00 -2.28 -0.08 0.00 0.41 0.00 0.00 41.25 39.30 3bg5 s ASN 1073CO 0.00 -0.61 0.67 -0.13 -1.51 0.00 0.00 177.10 175.52 3bg5 s ARG 1074N 2.50 3.95 -0.24 -0.60 0.52 -0.35 -1.44 118.95 123.29 3bg5 s ARG 1074Ca 0.19 0.54 -0.09 0.00 -0.52 0.00 0.00 55.73 55.86 3bg5 s ARG 1074Cb -0.15 -2.53 -0.04 0.00 0.52 0.00 0.00 34.95 32.75 3bg5 s ARG 1074CO 0.15 0.22 0.11 0.99 0.02 0.00 0.00 175.30 176.80 3bg5 s THR 1075N -1.90 4.78 -0.24 0.02 2.01 -1.26 -1.32 115.64 117.72 3bg5 s THR 1075Ca 0.51 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 62.37 3bg5 s THR 1075Cb -0.11 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3bg5 s THR 1075CO 0.19 0.35 0.27 -0.63 -0.69 0.00 0.00 174.62 174.10 3bg5 s ILE 1076N 1.29 5.27 -0.32 1.82 1.01 0.56 0.41 121.20 131.24 3bg5 s ILE 1076Ca 0.06 0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.90 3bg5 s ILE 1076Cb -0.15 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3bg5 s ILE 1076CO 0.05 0.27 0.60 -0.31 0.00 0.00 0.00 174.94 175.54 3bg5 s TYR 1077N 1.45 3.20 0.39 3.97 1.51 -0.04 -1.95 117.35 125.89 3bg5 s TYR 1077Ca 0.12 0.47 0.08 0.00 -1.01 0.00 0.00 57.07 56.73 3bg5 s TYR 1077Cb -0.15 -2.98 -0.05 0.00 -0.11 0.00 0.00 41.96 38.67 3bg5 s TYR 1077CO 0.08 -0.50 0.16 0.71 -1.11 0.00 0.00 175.55 174.89 3bg5 s TYR 1078N 2.56 2.62 -0.19 2.71 1.51 0.08 -0.30 117.35 126.34 3bg5 s TYR 1078Ca 0.23 -0.54 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 3bg5 s TYR 1078Cb -0.15 -1.86 0.06 0.00 -0.11 0.00 0.00 41.96 39.90 3bg5 s TYR 1078CO 0.12 0.24 0.08 0.00 -1.11 0.00 0.00 175.55 174.89 3bg5 s ALA 1079N -2.56 0.55 -0.22 3.71 0.00 0.80 -2.39 121.76 121.64 3bg5 s ALA 1079Ca 0.40 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.87 3bg5 s ALA 1079Cb 0.02 -1.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.05 3bg5 s ALA 1079CO 0.22 -1.22 -0.05 1.41 0.00 0.00 0.00 175.76 176.12 3bg5 s MET 1080N 2.08 3.33 -1.33 0.00 0.00 -0.60 -0.46 119.30 122.32 3bg5 s MET 1080Ca 0.02 -0.65 -0.11 0.00 0.00 0.00 0.00 55.69 54.95 3bg5 s MET 1080Cb -0.16 -2.98 0.01 0.00 0.00 0.00 0.00 34.83 31.69 3bg5 s MET 1080CO -0.12 -0.21 0.49 0.09 0.00 0.00 0.00 175.02 175.27 3bg5 n ASN 1081N 4.78 -1.97 -3.30 1.11 3.02 0.17 -2.10 115.26 116.97 3bg5 n ASN 1081Ca -0.18 -1.10 -0.17 0.00 -0.03 0.00 0.00 54.58 53.10 3bg5 n ASN 1081Cb 0.51 -2.68 0.08 0.00 -0.61 0.00 0.00 39.78 37.08 3bg5 n ASN 1081CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bg5 n GLY 1082N -2.02 -0.33 3.24 7.41 0.00 -1.26 -5.01 105.19 107.21 3bg5 n GLY 1082Ca -0.23 0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 3bg5 n GLY 1082CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3bg5 s GLN 1083N -5.43 0.35 0.25 1.61 2.00 -0.89 -5.14 119.66 112.41 3bg5 s GLN 1083Ca 0.09 0.99 -0.31 0.00 -2.00 0.00 0.00 55.36 54.13 3bg5 s GLN 1083Cb -0.04 0.26 -0.13 0.00 0.80 0.00 0.00 33.01 33.90 3bg5 s GLN 1083CO 0.68 -0.32 1.44 0.00 -0.50 0.00 0.00 175.29 176.60 3bg5 n ALA 1084N 5.39 1.37 -3.29 1.58 0.00 -1.26 -1.56 120.51 122.74 3bg5 n ALA 1084Ca -0.08 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.63 3bg5 n ALA 1084Cb 0.50 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.54 3bg5 n ALA 1084CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3bg5 s ARG 1085N -0.39 0.56 -0.05 0.00 6.06 -1.01 -4.91 118.95 119.22 3bg5 s ARG 1085Ca 0.68 0.31 0.03 0.00 -2.50 0.00 0.00 55.73 54.25 3bg5 s ARG 1085Cb -0.62 0.27 0.00 0.00 0.06 0.00 0.00 34.95 34.66 3bg5 s ARG 1085CO 0.49 -0.11 -0.15 1.03 -2.50 0.00 0.00 175.30 174.06 3bg5 s ARG 1086N -0.34 1.73 -0.05 5.12 0.52 -1.26 -0.74 118.95 123.92 3bg5 s ARG 1086Ca -0.05 -0.52 0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3bg5 s ARG 1086Cb -0.03 -1.47 0.02 0.00 0.52 0.00 0.00 34.95 33.99 3bg5 s ARG 1086CO 0.02 0.15 -0.07 0.42 0.02 0.00 0.00 175.30 175.84 3bg5 s ILE 1087N 0.28 0.76 -0.21 1.52 -1.09 -0.82 -4.88 121.20 116.76 3bg5 s ILE 1087Ca -0.08 -0.26 -0.06 0.00 -2.23 0.00 0.00 60.65 58.02 3bg5 s ILE 1087Cb -0.13 -0.74 -0.03 0.00 -1.58 0.00 0.00 42.46 39.99 3bg5 s ILE 1087CO 0.03 0.27 0.03 -0.31 -1.23 0.00 0.00 174.94 173.73 3bg5 s TYR 1088N 0.79 3.10 -0.06 3.97 1.51 -1.26 -0.33 117.35 125.07 3bg5 s TYR 1088Ca -0.13 -0.28 0.06 0.00 -1.01 0.00 0.00 57.07 55.70 3bg5 s TYR 1088Cb -0.15 -2.12 -0.01 0.00 -0.11 0.00 0.00 41.96 39.58 3bg5 s TYR 1088CO 0.02 -0.15 -0.24 0.42 -1.11 0.00 0.00 175.55 174.49 3bg5 s ILE 1089N 0.95 2.00 -0.11 2.71 -1.09 -0.44 -4.95 121.20 120.28 3bg5 s ILE 1089Ca 0.03 -1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.12 3bg5 s ILE 1089Cb -0.14 -1.70 -0.05 0.00 -1.58 0.00 0.00 42.46 38.99 3bg5 s ILE 1089CO 0.02 0.56 1.68 -0.75 -1.23 0.00 0.00 174.94 175.21 3bg5 s LYS 1090N -0.04 4.02 -0.27 2.79 2.20 -1.26 -1.21 119.74 125.96 3bg5 s LYS 1090Ca -0.07 2.04 -0.29 0.00 -0.36 0.00 0.00 55.97 57.30 3bg5 s LYS 1090Cb -0.14 -4.02 0.01 0.00 -1.51 0.00 0.00 37.83 32.17 3bg5 s LYS 1090CO 0.05 -1.04 1.03 0.34 -0.36 0.00 0.00 175.35 175.37 3bg5 s ASP 1091N 3.86 7.00 0.21 1.43 3.68 0.12 -4.91 116.67 128.05 3bg5 s ASP 1091Ca 0.74 1.20 0.23 0.00 2.13 0.00 0.00 52.55 56.86 3bg5 s ASP 1091Cb -0.31 -2.53 0.22 0.00 -1.45 0.00 0.00 42.92 38.85 3bg5 s ASP 1091CO 0.30 -0.74 1.27 -0.33 0.13 0.00 0.00 175.17 175.80 3bg5 h GLU 1092N 7.74 0.00 0.00 4.34 5.08 -1.90 -3.48 114.58 126.36 3bg5 h GLU 1092Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3bg5 h GLU 1092Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3bg5 h GLU 1092CO 0.99 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 179.09 3bg5 n ASN 1093N -2.52 0.00 -0.79 1.42 4.13 -1.26 -5.15 115.26 111.08 3bg5 n ASN 1093Ca 0.02 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 56.18 3bg5 n ASN 1093Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3bg5 n ASN 1093CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3bg5 n THR 1140N -0.95 0.00 -3.66 3.41 -2.24 -1.26 -5.22 114.28 104.36 3bg5 n THR 1140Ca 0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 3bg5 n THR 1140Cb 0.01 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.13 3bg5 n THR 1140CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3bg5 s GLU 1141N -1.38 0.27 0.00 -0.78 2.12 -1.26 -3.89 118.70 113.77 3bg5 s GLU 1141Ca 0.00 0.93 0.00 0.00 0.36 0.00 0.00 54.97 56.26 3bg5 s GLU 1141Cb 0.00 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.59 3bg5 s GLU 1141CO 0.00 -0.26 0.00 0.00 -0.54 0.00 0.00 175.26 174.46 3bg5 n ALA 1142N 5.33 0.00 -3.33 6.30 0.00 0.10 -4.89 120.51 124.02 3bg5 n ALA 1142Ca -0.08 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.90 3bg5 n ALA 1142Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 3bg5 n ALA 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bg5 s MET 1143N 0.91 4.07 -0.59 0.00 0.00 -1.26 -4.51 119.30 117.92 3bg5 s MET 1143Ca 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 55.69 52.66 3bg5 s MET 1143Cb 0.00 -4.54 0.00 0.00 0.00 0.00 0.00 34.83 30.29 3bg5 s MET 1143CO 0.00 -1.27 0.00 1.63 0.00 0.00 0.00 175.02 175.38 3bg5 n LYS 1144N 3.06 -1.78 -4.33 3.16 5.02 -1.26 -4.98 118.16 117.06 3bg5 n LYS 1144Ca 0.22 0.68 -0.33 0.00 -2.02 0.00 0.00 58.31 56.86 3bg5 n LYS 1144Cb 0.41 -5.10 -0.15 0.00 -0.02 0.00 0.00 35.03 30.17 3bg5 n LYS 1144CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 3bg5 s MET 1145N -2.42 3.20 -0.17 1.97 -1.94 -1.26 -5.11 119.30 113.56 3bg5 s MET 1145Ca 0.00 -0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 53.17 3bg5 s MET 1145Cb 0.00 -2.68 -0.04 0.00 2.01 0.00 0.00 34.83 34.12 3bg5 s MET 1145CO 0.00 -0.07 0.06 -2.00 -0.01 0.00 0.00 175.02 173.00 3bg5 s GLU 1146N 1.03 3.90 0.00 2.03 2.12 -1.26 -0.72 118.70 125.80 3bg5 s GLU 1146Ca -0.01 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 54.99 3bg5 s GLU 1146Cb -0.15 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3bg5 s GLU 1146CO -0.03 0.33 0.11 0.25 -0.54 0.00 0.00 175.26 175.38