#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfu n ASP 44 N 0.00 -8.46 -2.73 7.83 8.00 -1.26 -5.00 116.55 114.94 2pfu n ASP 44 Ca 0.00 0.72 -0.01 0.00 0.71 0.00 0.00 54.79 56.21 2pfu n ASP 44 Cb 0.00 -4.40 -0.01 0.00 -0.02 0.00 0.00 41.12 36.69 2pfu n ASP 44 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2pfu n VAL 45 N -4.22-11.68 -3.83 2.53 0.31 -1.26 -5.02 118.33 95.17 2pfu n VAL 45 Ca -0.01 1.96 -0.29 0.00 -0.01 0.00 0.00 64.34 65.99 2pfu n VAL 45 Cb 0.65 -6.65 -0.16 0.00 -0.91 0.00 0.00 33.84 26.78 2pfu n VAL 45 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2pfu s LYS 46 N -1.41 1.07 -0.10 5.55 1.02 -1.26 -5.12 119.74 119.49 2pfu s LYS 46 Ca -0.06 -0.88 -0.03 0.00 0.02 0.00 0.00 55.97 55.02 2pfu s LYS 46 Cb 0.00 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 2pfu s LYS 46 CO 0.75 -0.73 0.03 0.14 -0.92 0.00 0.00 175.35 174.61 2pfu s VAL 47 N 1.57 4.56 0.53 3.17 -7.23 -1.26 -5.11 120.40 116.63 2pfu s VAL 47 Ca 0.01 -0.15 -0.06 0.00 -1.81 0.00 0.00 61.98 59.97 2pfu s VAL 47 Cb -0.18 -2.95 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 2pfu s VAL 47 CO -0.12 0.59 0.85 0.21 -0.31 0.00 0.00 175.10 176.32 2pfu s ASN 48 N -0.77 6.07 0.44 4.85 2.47 -1.26 -5.09 114.94 121.65 2pfu s ASN 48 Ca 0.12 0.92 -0.03 0.00 0.42 0.00 0.00 52.86 54.29 2pfu s ASN 48 Cb -0.12 -2.12 -0.03 0.00 -1.45 0.00 0.00 41.25 37.54 2pfu s ASN 48 CO 0.02 -0.75 0.70 -0.76 -3.72 0.00 0.00 177.10 172.60 2pfu s LEU 49 N -4.86 3.73 0.12 3.21 1.02 -1.26 -5.04 118.68 115.60 2pfu s LEU 49 Ca 0.50 0.70 -0.31 0.00 0.02 0.00 0.00 54.13 55.04 2pfu s LEU 49 Cb -0.10 -3.61 -0.08 0.00 0.02 0.00 0.00 46.19 42.42 2pfu s LEU 49 CO 0.46 -0.52 1.35 -2.16 0.02 0.00 0.00 176.35 175.50 2pfu s PRO 50 N -4.60 4.35 -0.75 1.29 0.04 -1.26 -4.91 135.00 129.16 2pfu s PRO 50 Ca 0.45 2.04 -0.26 0.00 0.04 0.00 0.00 61.00 63.27 2pfu s PRO 50 Cb -0.10 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.10 2pfu s PRO 50 CO 0.41 -0.38 2.23 0.00 0.04 0.00 0.00 177.00 179.30 2pfu s ALA 51 N 0.91 1.27 -0.09 8.56 0.00 -1.26 -4.93 121.76 126.22 2pfu s ALA 51 Ca 0.62 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 51.62 2pfu s ALA 51 Cb -0.36 -4.50 -0.05 0.00 0.00 0.00 0.00 23.12 18.21 2pfu s ALA 51 CO 0.32 -5.16 0.31 -1.54 0.00 0.00 0.00 175.76 169.69 2pfu s SER 52 N 10.05 6.57 -0.05 0.00 1.04 -1.26 -5.07 113.70 124.98 2pfu s SER 52 Ca 0.85 0.68 -0.29 0.00 0.48 0.00 0.00 55.95 57.67 2pfu s SER 52 Cb -0.12 -2.19 0.10 0.00 0.10 0.00 0.00 66.02 63.91 2pfu s SER 52 CO 0.10 0.24 0.84 0.28 0.98 0.00 0.00 173.24 175.68 2pfu s THR 53 N -0.37 0.00 0.33 2.02 -1.32 -1.26 -5.19 115.64 109.85 2pfu s THR 53 Ca 0.19 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.74 2pfu s THR 53 Cb -0.14 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.82 2pfu s THR 53 CO 0.08 0.00 0.24 -1.54 -2.21 0.00 0.00 174.62 171.18 2pfu n SER 54 N 0.33 -0.25 -3.62 8.08 3.41 -1.26 -5.18 113.62 115.13 2pfu n SER 54 Ca -0.12 -3.04 -0.06 0.00 -0.26 0.00 0.00 58.87 55.39 2pfu n SER 54 Cb 0.60 1.43 -0.05 0.00 -0.26 0.00 0.00 64.21 65.93 2pfu n SER 54 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2pfu s THR 55 N -3.20 0.00 0.85 6.66 -1.32 -1.26 -5.17 115.64 112.19 2pfu s THR 55 Ca 0.33 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.70 2pfu s THR 55 Cb 0.02 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.11 2pfu s THR 55 CO 0.24 0.00 1.09 -2.16 -2.21 0.00 0.00 174.62 171.58 2pfu s PRO 56 N -0.77 1.66 0.26 7.08 0.04 -1.26 -5.07 135.00 136.95 2pfu s PRO 56 Ca 0.04 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.11 2pfu s PRO 56 Cb -0.02 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2pfu s PRO 56 CO -0.05 -2.00 0.24 -0.65 0.04 0.00 0.00 177.00 174.58 2pfu s GLN 57 N -4.92 3.01 1.06 4.56 -0.21 -1.26 -5.12 119.66 116.77 2pfu s GLN 57 Ca 0.62 -1.02 -0.14 0.00 0.02 0.00 0.00 55.36 54.84 2pfu s GLN 57 Cb -0.18 -2.62 0.22 0.00 1.00 0.00 0.00 33.01 31.43 2pfu s GLN 57 CO 0.57 0.37 1.10 -1.25 -2.12 0.00 0.00 175.29 173.95 2pfu s PRO 58 N -3.89 -0.06 -0.08 2.91 0.04 -1.26 -5.09 135.00 127.56 2pfu s PRO 58 Ca 0.34 0.35 -0.27 0.00 0.04 0.00 0.00 61.00 61.45 2pfu s PRO 58 Cb -0.08 -1.69 0.06 0.00 0.04 0.00 0.00 34.50 32.83 2pfu s PRO 58 CO 0.26 -3.02 0.63 1.03 0.04 0.00 0.00 177.00 175.93 2pfu s ARG 59 N -5.07 0.95 0.94 4.56 0.52 -1.26 -5.17 118.95 114.41 2pfu s ARG 59 Ca 0.67 0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 56.09 2pfu s ARG 59 Cb -0.16 0.45 0.15 0.00 0.52 0.00 0.00 34.95 35.91 2pfu s ARG 59 CO 0.57 -0.26 1.09 -1.25 0.02 0.00 0.00 175.30 175.47 2pfu s PRO 60 N -0.91 0.92 -0.13 3.54 0.04 -1.26 -5.00 135.00 132.20 2pfu s PRO 60 Ca -0.09 0.70 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 2pfu s PRO 60 Cb -0.02 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 2pfu s PRO 60 CO 0.07 -2.44 0.78 -1.21 0.04 0.00 0.00 177.00 174.24 2pfu s GLU 61 N -4.95 4.35 0.27 4.56 2.02 -1.26 -5.06 118.70 118.64 2pfu s GLU 61 Ca 0.64 0.96 0.11 0.00 0.02 0.00 0.00 54.97 56.70 2pfu s GLU 61 Cb -0.18 -3.53 -0.05 0.00 0.10 0.00 0.00 34.13 30.47 2pfu s GLU 61 CO 0.57 -0.19 -0.18 0.15 0.02 0.00 0.00 175.26 175.64 2pfu s LYS 62 N 1.66 1.63 0.73 1.61 1.02 -1.26 -5.14 119.74 119.99 2pfu s LYS 62 Ca 0.38 -1.76 -0.12 0.00 0.02 0.00 0.00 55.97 54.49 2pfu s LYS 62 Cb -0.17 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 2pfu s LYS 62 CO 0.15 0.28 1.10 -1.25 -0.92 0.00 0.00 175.35 174.70 2pfu s PRO 63 N -3.55 2.46 -0.20 -1.68 0.04 -1.26 -5.04 135.00 125.77 2pfu s PRO 63 Ca 0.29 1.26 -0.03 0.00 0.04 0.00 0.00 61.00 62.56 2pfu s PRO 63 Cb -0.03 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 2pfu s PRO 63 CO 0.14 -1.49 -0.08 0.08 0.04 0.00 0.00 177.00 175.68 2pfu s VAL 64 N -2.68 3.15 -0.10 -0.36 1.01 -1.26 -5.10 120.40 115.06 2pfu s VAL 64 Ca 0.63 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.05 2pfu s VAL 64 Cb -0.19 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.81 2pfu s VAL 64 CO 0.50 0.46 -0.15 -0.47 0.00 0.00 0.00 175.10 175.44 2pfu s TYR 65 N 1.23 1.90 0.08 5.22 6.14 -1.26 -2.44 117.35 128.22 2pfu s TYR 65 Ca 0.03 -0.85 0.02 0.00 0.64 0.00 0.00 57.07 56.90 2pfu s TYR 65 Cb -0.14 -1.37 -0.04 0.00 0.42 0.00 0.00 41.96 40.83 2pfu s TYR 65 CO -0.03 -0.43 0.14 -0.51 0.64 0.00 0.00 175.55 175.35 2pfu s LEU 66 N 0.90 4.02 -0.04 6.97 1.43 -0.04 -4.66 118.68 127.25 2pfu s LEU 66 Ca -0.09 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2pfu s LEU 66 Cb -0.15 -2.66 0.03 0.00 0.03 0.00 0.00 46.19 43.43 2pfu s LEU 66 CO 0.00 0.16 0.05 -0.44 0.23 0.00 0.00 176.35 176.36 2pfu s SER 67 N -2.50 0.86 0.32 2.29 0.01 -1.26 -1.51 113.70 111.91 2pfu s SER 67 Ca 0.32 0.07 0.10 0.00 1.31 0.00 0.00 55.95 57.74 2pfu s SER 67 Cb -0.12 -0.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 2pfu s SER 67 CO 0.24 -0.22 -0.05 -0.69 0.41 0.00 0.00 173.24 172.93 2pfu s VAL 68 N 1.89 2.63 -0.09 3.43 1.01 0.19 -0.81 120.40 128.64 2pfu s VAL 68 Ca 0.01 -2.09 -0.33 0.00 0.00 0.00 0.00 61.98 59.57 2pfu s VAL 68 Cb -0.12 -2.68 0.15 0.00 0.00 0.00 0.00 36.38 33.72 2pfu s VAL 68 CO -0.03 -0.26 1.42 -1.59 0.00 0.00 0.00 175.10 174.64 2pfu s LYS 69 N -3.65 0.07 1.20 2.72 -2.85 -0.33 -1.63 119.74 115.27 2pfu s LYS 69 Ca 0.33 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 55.26 2pfu s LYS 69 Cb -0.01 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.78 2pfu s LYS 69 CO 0.18 -0.03 0.00 0.00 0.10 0.00 0.00 175.35 175.60 2pfu n ALA 70 N -0.48 0.00 -2.15 0.59 0.00 -1.23 -1.17 120.51 116.08 2pfu n ALA 70 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 2pfu n ALA 70 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 2pfu n ALA 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pfu s ASP 71 N -4.00 5.32 -0.59 0.00 1.01 -1.26 -4.10 116.67 113.04 2pfu s ASP 71 Ca 0.00 -1.68 -0.05 0.00 0.71 0.00 0.00 52.55 51.53 2pfu s ASP 71 Cb 0.00 -2.59 0.01 0.00 1.01 0.00 0.00 42.92 41.35 2pfu s ASP 71 CO 0.00 -2.76 0.63 0.59 0.21 0.00 0.00 175.17 173.84 2pfu n ASN 72 N 13.43 -7.53 -3.62 0.27 4.13 -1.25 -5.04 115.26 115.65 2pfu n ASN 72 Ca 0.45 0.14 -0.25 0.00 1.68 0.00 0.00 54.58 56.60 2pfu n ASN 72 Cb 0.47 -5.11 -0.17 0.00 -1.54 0.00 0.00 39.78 33.43 2pfu n ASN 72 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2pfu s SER 73 N -2.79 2.16 0.21 6.41 0.01 -0.32 -4.26 113.70 115.13 2pfu s SER 73 Ca 0.08 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 56.72 2pfu s SER 73 Cb -0.02 -0.23 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 2pfu s SER 73 CO 0.71 -0.33 0.56 -0.04 0.41 0.00 0.00 173.24 174.55 2pfu s MET 74 N 2.14 3.87 -0.32 12.44 -1.94 -1.14 -1.18 119.30 133.17 2pfu s MET 74 Ca 0.02 0.37 0.05 0.00 -1.71 0.00 0.00 55.69 54.42 2pfu s MET 74 Cb -0.15 -2.72 0.18 0.00 2.01 0.00 0.00 34.83 34.14 2pfu s MET 74 CO -0.08 0.36 0.52 0.12 -0.01 0.00 0.00 175.02 175.93 2pfu s PHE 75 N -1.72 -1.44 0.68 -0.03 2.19 0.01 -2.50 117.98 115.18 2pfu s PHE 75 Ca 0.45 0.54 -0.13 0.00 0.33 0.00 0.00 56.93 58.12 2pfu s PHE 75 Cb -0.12 0.10 0.01 0.00 -1.31 0.00 0.00 43.02 41.70 2pfu s PHE 75 CO 0.20 -1.06 1.08 0.42 1.83 0.00 0.00 175.22 177.69 2pfu s ILE 76 N 2.46 3.57 0.52 3.12 -1.09 -0.96 -4.28 121.20 124.54 2pfu s ILE 76 Ca 0.11 0.62 0.39 0.00 -2.23 0.00 0.00 60.65 59.54 2pfu s ILE 76 Cb -0.10 -3.18 0.60 0.00 -1.58 0.00 0.00 42.46 38.20 2pfu s ILE 76 CO -0.22 -0.56 1.70 1.23 -1.23 0.00 0.00 174.94 175.85 2pfu h GLY 77 N -0.37 0.30 -5.04 6.18 0.00 -1.97 -2.83 103.07 99.33 2pfu h GLY 77 Ca -0.45 -0.03 -0.24 0.00 0.00 0.00 0.00 47.33 46.60 2pfu h GLY 77 CO 0.55 -0.07 -0.58 1.16 0.00 0.00 0.00 176.54 177.59 2pfu n ASN 78 N -4.21 -0.81 -2.71 0.19 0.23 -1.26 -5.03 115.26 101.66 2pfu n ASN 78 Ca 0.34 -2.42 -0.01 0.00 -0.53 0.00 0.00 54.58 51.96 2pfu n ASN 78 Cb 1.51 0.49 0.02 0.00 -2.08 0.00 0.00 39.78 39.72 2pfu n ASN 78 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2pfu s ASP 79 N -1.82 -0.28 0.40 0.53 2.15 -1.07 -5.16 116.67 111.42 2pfu s ASP 79 Ca 0.21 -0.23 -0.25 0.00 0.43 0.00 0.00 52.55 52.70 2pfu s ASP 79 Cb 0.42 0.36 -0.08 0.00 -0.30 0.00 0.00 42.92 43.32 2pfu s ASP 79 CO -0.07 -0.02 1.19 -2.16 -0.17 0.00 0.00 175.17 173.94 2pfu s PRO 80 N 1.49 4.06 0.32 4.34 0.04 -1.26 -2.27 135.00 141.72 2pfu s PRO 80 Ca 0.19 1.89 -0.06 0.00 0.04 0.00 0.00 61.00 63.06 2pfu s PRO 80 Cb 0.08 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.94 2pfu s PRO 80 CO -0.13 -0.33 0.52 1.33 0.04 0.00 0.00 177.00 178.43 2pfu n VAL 81 N 0.12 0.00 -4.57 -0.36 0.24 -1.04 -4.91 118.33 107.82 2pfu n VAL 81 Ca 0.04 -1.26 -0.26 0.00 -2.04 0.00 0.00 64.34 60.82 2pfu n VAL 81 Cb 0.46 0.90 -0.10 0.00 -1.47 0.00 0.00 33.84 33.63 2pfu n VAL 81 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2pfu s THR 82 N -2.55 1.36 -1.09 3.34 2.01 -1.26 -2.90 115.64 114.54 2pfu s THR 82 Ca 0.20 -2.00 0.17 0.00 0.31 0.00 0.00 61.69 60.38 2pfu s THR 82 Cb -0.02 -2.69 0.18 0.00 0.01 0.00 0.00 72.50 69.98 2pfu s THR 82 CO 0.15 0.00 1.55 -0.90 -0.69 0.00 0.00 174.62 174.73 2pfu n ASP 83 N -0.96 0.00 -0.04 3.53 5.68 -1.26 -0.08 116.55 123.42 2pfu n ASP 83 Ca -0.07 0.40 -0.09 0.00 -0.50 0.00 0.00 54.79 54.53 2pfu n ASP 83 Cb 0.67 -0.45 -0.14 0.00 -1.14 0.00 0.00 41.12 40.05 2pfu n ASP 83 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pfu n GLU 84 N -1.45 0.65 -0.14 0.11 1.02 -1.26 -4.25 120.64 115.31 2pfu n GLU 84 Ca 0.05 0.23 0.05 0.00 -0.02 0.00 0.00 57.16 57.47 2pfu n GLU 84 Cb 0.19 -1.73 0.12 0.00 -0.02 0.00 0.00 31.44 30.00 2pfu n GLU 84 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2pfu n THR 85 N -2.99 1.44 -0.18 2.62 5.66 -1.05 -4.65 114.28 115.13 2pfu n THR 85 Ca -0.21 -1.46 -0.11 0.00 -3.05 0.00 0.00 64.05 59.23 2pfu n THR 85 Cb 1.08 0.19 0.01 0.00 -1.55 0.00 0.00 70.33 70.06 2pfu n THR 85 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 2pfu h MET 86 N 0.83 1.03 0.12 1.09 -1.53 -0.66 -0.97 114.93 114.84 2pfu h MET 86 Ca 0.00 -0.40 -0.01 0.00 -3.44 0.00 0.00 59.70 55.85 2pfu h MET 86 Cb 0.85 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.85 2pfu h MET 86 CO 0.04 1.09 -0.06 0.82 0.14 0.00 0.00 176.91 178.94 2pfu h ILE 87 N 0.90 0.88 -0.11 1.77 1.08 -1.84 -2.09 117.51 118.10 2pfu h ILE 87 Ca 0.13 -1.27 0.04 0.00 -0.39 0.00 0.00 64.86 63.36 2pfu h ILE 87 Cb 0.73 1.53 -0.05 0.00 -3.07 0.00 0.00 36.82 35.97 2pfu h ILE 87 CO 0.06 0.25 -0.16 0.71 -0.69 0.00 0.00 178.15 178.31 2pfu h THR 88 N -0.89 0.58 -0.72 -0.27 1.35 -1.85 -0.94 112.91 110.16 2pfu h THR 88 Ca -0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 2pfu h THR 88 Cb 0.53 0.58 -0.04 0.00 -1.73 0.00 0.00 68.15 67.49 2pfu h THR 88 CO 0.03 0.00 0.42 0.00 -0.25 0.00 0.00 175.52 175.72 2pfu h ALA 89 N 0.82 1.38 -0.23 6.62 0.00 -1.30 -2.20 119.26 124.34 2pfu h ALA 89 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2pfu h ALA 89 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pfu h ALA 89 CO -0.24 0.52 0.15 -0.07 0.00 0.00 0.00 179.25 179.62 2pfu h LEU 90 N 1.00 0.27 -1.63 0.00 3.38 -0.60 0.96 115.31 118.69 2pfu h LEU 90 Ca 0.26 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2pfu h LEU 90 Cb -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2pfu h LEU 90 CO -0.05 0.22 -0.19 -1.13 0.09 0.00 0.00 178.44 177.39 2pfu h ASN 91 N 0.31 0.00 1.69 -0.43 -1.24 -0.87 0.21 115.58 115.25 2pfu h ASN 91 Ca 0.09 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.05 2pfu h ASN 91 Cb -0.01 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2pfu h ASN 91 CO -0.02 0.19 -0.31 0.00 -1.29 0.00 0.00 177.43 176.00 2pfu h ALA 92 N 1.81 0.83 0.00 1.57 0.00 -0.78 0.28 119.26 122.98 2pfu h ALA 92 Ca -0.00 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2pfu h ALA 92 Cb 0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2pfu h ALA 92 CO 0.02 0.27 -0.93 -0.07 0.00 0.00 0.00 179.25 178.55 2pfu h LEU 93 N 0.00 0.00 -2.77 0.00 3.38 0.09 -3.37 115.31 112.64 2pfu h LEU 93 Ca -0.01 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2pfu h LEU 93 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2pfu h LEU 93 CO 0.03 1.25 0.00 0.35 0.09 0.00 0.00 178.44 180.15 2pfu n THR 94 N -4.50 1.85 -2.48 0.22 -2.24 0.65 -4.89 114.28 102.88 2pfu n THR 94 Ca -0.23 -1.00 -0.13 0.00 -2.27 0.00 0.00 64.05 60.42 2pfu n THR 94 Cb 0.55 -0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 2pfu n THR 94 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2pfu n GLU 95 N 0.58 -2.30 -2.38 -0.78 4.71 -0.39 -0.12 120.64 119.97 2pfu n GLU 95 Ca 0.20 0.60 -0.09 0.00 -0.01 0.00 0.00 57.16 57.86 2pfu n GLU 95 Cb 0.88 -5.20 0.01 0.00 -1.01 0.00 0.00 31.44 26.11 2pfu n GLU 95 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2pfu n GLY 96 N -0.83 0.07 3.44 0.62 0.00 0.86 -4.95 105.19 104.40 2pfu n GLY 96 Ca -0.14 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 2pfu n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pfu s LYS 97 N -4.74 3.08 -0.11 1.61 -0.14 0.83 -4.88 119.74 115.39 2pfu s LYS 97 Ca 0.07 -0.97 0.18 0.00 -1.36 0.00 0.00 55.97 53.89 2pfu s LYS 97 Cb -0.03 -4.07 -0.25 0.00 -1.68 0.00 0.00 37.83 31.80 2pfu s LYS 97 CO 0.08 -1.06 0.32 1.63 -0.76 0.00 0.00 175.35 175.56 2pfu n LYS 98 N 5.75 0.67 -0.14 1.68 4.01 -1.26 -4.25 118.16 124.61 2pfu n LYS 98 Ca -0.08 -0.00 0.26 0.00 -0.51 0.00 0.00 58.31 57.98 2pfu n LYS 98 Cb 0.45 -1.58 0.71 0.00 -0.51 0.00 0.00 35.03 34.10 2pfu n LYS 98 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2pfu h ASP 99 N 0.00 0.01 -4.00 4.39 5.19 -1.94 -3.39 116.42 116.68 2pfu h ASP 99 Ca -0.34 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.55 2pfu h ASP 99 Cb 1.83 -0.00 0.08 0.00 0.18 0.00 0.00 39.33 41.42 2pfu h ASP 99 CO 0.03 0.01 0.53 -0.89 -3.12 0.00 0.00 179.24 175.79 2pfu s THR 100 N -5.00 2.84 -0.22 0.35 2.01 -1.26 -4.84 115.64 109.52 2pfu s THR 100 Ca -0.05 0.65 -0.28 0.00 0.31 0.00 0.00 61.69 62.32 2pfu s THR 100 Cb 0.21 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.38 2pfu s THR 100 CO 0.76 0.01 0.98 -0.89 -0.69 0.00 0.00 174.62 174.80 2pfu s THR 101 N -1.44 4.73 -0.05 -0.82 2.01 -1.26 -4.73 115.64 114.09 2pfu s THR 101 Ca 0.63 1.91 0.06 0.00 0.31 0.00 0.00 61.69 64.61 2pfu s THR 101 Cb -0.32 -4.26 -0.01 0.00 0.01 0.00 0.00 72.50 67.91 2pfu s THR 101 CO 0.40 -0.13 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.32 2pfu s ILE 102 N 2.96 2.02 -0.03 1.82 1.09 -1.03 -4.40 121.20 123.63 2pfu s ILE 102 Ca 0.42 -1.06 -0.19 0.00 -1.10 0.00 0.00 60.65 58.72 2pfu s ILE 102 Cb -0.15 -1.70 -0.05 0.00 -1.06 0.00 0.00 42.46 39.49 2pfu s ILE 102 CO 0.08 0.56 0.54 -0.36 -0.10 0.00 0.00 174.94 175.66 2pfu s PHE 103 N -0.25 3.65 -0.46 3.97 0.40 -1.02 -0.09 117.98 124.17 2pfu s PHE 103 Ca -0.01 1.09 -0.11 0.00 -0.60 0.00 0.00 56.93 57.30 2pfu s PHE 103 Cb -0.13 -2.55 0.10 0.00 0.51 0.00 0.00 43.02 40.95 2pfu s PHE 103 CO 0.03 0.34 0.34 0.12 0.70 0.00 0.00 175.22 176.75 2pfu s PHE 104 N -0.10 3.33 -0.39 0.36 5.36 -0.66 -0.86 117.98 125.03 2pfu s PHE 104 Ca 0.29 -1.48 -0.15 0.00 -0.96 0.00 0.00 56.93 54.63 2pfu s PHE 104 Cb -0.17 -3.26 0.01 0.00 -0.34 0.00 0.00 43.02 39.25 2pfu s PHE 104 CO 0.15 -0.90 0.32 0.50 -1.46 0.00 0.00 175.22 173.82 2pfu s ARG 105 N 1.47 3.19 -0.11 10.12 6.06 -0.57 -4.01 118.95 135.10 2pfu s ARG 105 Ca 0.04 -0.82 -0.05 0.00 -2.50 0.00 0.00 55.73 52.40 2pfu s ARG 105 Cb -0.25 -3.92 -0.04 0.00 0.06 0.00 0.00 34.95 30.81 2pfu s ARG 105 CO 0.02 -0.67 0.09 0.00 -2.50 0.00 0.00 175.30 172.25 2pfu s ALA 106 N 1.81 3.65 0.63 6.12 0.00 -1.26 -0.64 121.76 132.07 2pfu s ALA 106 Ca 0.07 -0.70 -0.13 0.00 0.00 0.00 0.00 51.96 51.20 2pfu s ALA 106 Cb -0.18 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.11 2pfu s ALA 106 CO 0.11 0.58 1.04 -0.51 0.00 0.00 0.00 175.76 176.98 2pfu s ASP 107 N -0.89 5.85 0.17 0.00 1.11 -0.65 -4.92 116.67 117.34 2pfu s ASP 107 Ca 0.14 1.60 0.19 0.00 0.18 0.00 0.00 52.55 54.66 2pfu s ASP 107 Cb -0.12 -2.50 0.83 0.00 1.07 0.00 0.00 42.92 42.21 2pfu s ASP 107 CO 0.03 -1.12 1.59 2.29 1.18 0.00 0.00 175.17 179.15 2pfu n LYS 108 N -2.59 0.12 -0.98 8.23 2.85 -1.26 -2.47 118.16 122.06 2pfu n LYS 108 Ca 0.07 0.39 -0.20 0.00 -1.05 0.00 0.00 58.31 57.52 2pfu n LYS 108 Cb 0.54 -1.74 0.12 0.00 -0.65 0.00 0.00 35.03 33.30 2pfu n LYS 108 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2pfu n THR 109 N -1.97 2.79 -4.18 0.58 -2.24 -1.26 -4.92 114.28 103.09 2pfu n THR 109 Ca 0.02 -1.63 -0.35 0.00 -2.27 0.00 0.00 64.05 59.82 2pfu n THR 109 Cb 0.18 -0.70 -0.09 0.00 -2.10 0.00 0.00 70.33 67.62 2pfu n THR 109 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pfu s VAL 110 N -2.73 4.67 0.38 2.28 1.01 -1.03 -3.51 120.40 121.46 2pfu s VAL 110 Ca 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.33 2pfu s VAL 110 Cb 0.37 -3.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2pfu s VAL 110 CO 0.07 0.57 0.59 -1.81 0.00 0.00 0.00 175.10 174.51 2pfu s ASP 111 N -0.53 6.19 0.43 3.32 1.01 -1.26 -4.99 116.67 120.84 2pfu s ASP 111 Ca 0.10 0.43 0.11 0.00 0.71 0.00 0.00 52.55 53.90 2pfu s ASP 111 Cb -0.12 -1.92 0.95 0.00 1.01 0.00 0.00 42.92 42.84 2pfu s ASP 111 CO 0.02 -0.40 2.01 0.22 0.21 0.00 0.00 175.17 177.24 2pfu h TYR 112 N 0.65 0.21 0.00 4.23 3.20 -2.00 -1.32 116.97 121.95 2pfu h TYR 112 Ca -0.49 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.32 2pfu h TYR 112 Cb 1.23 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2pfu h TYR 112 CO 0.50 0.24 -0.27 1.49 -1.64 0.00 0.00 178.16 178.49 2pfu h GLU 113 N 0.21 0.00 0.04 1.82 4.81 -1.99 -2.20 114.58 117.27 2pfu h GLU 113 Ca 0.05 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2pfu h GLU 113 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2pfu h GLU 113 CO 0.01 0.27 -0.02 1.15 -0.73 0.00 0.00 179.01 179.68 2pfu h THR 114 N 0.00 1.28 0.00 0.32 2.02 -1.64 -2.52 112.91 112.37 2pfu h THR 114 Ca -0.00 -1.69 -0.01 0.00 0.77 0.00 0.00 66.41 65.48 2pfu h THR 114 Cb 0.65 2.30 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 2pfu h THR 114 CO 0.03 0.39 -0.06 0.17 0.37 0.00 0.00 175.52 176.42 2pfu h LEU 115 N -0.88 0.00 -0.03 2.58 8.10 -1.48 -1.27 115.31 122.33 2pfu h LEU 115 Ca -0.01 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.84 2pfu h LEU 115 Cb 0.68 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.91 2pfu h LEU 115 CO 0.01 0.06 -0.55 -0.03 -4.11 0.00 0.00 178.44 173.83 2pfu h MET 116 N 0.00 0.42 -0.16 0.17 4.05 -1.45 -2.00 114.93 115.96 2pfu h MET 116 Ca -0.00 -0.41 -0.02 0.00 -0.28 0.00 0.00 59.70 58.99 2pfu h MET 116 Cb 0.14 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2pfu h MET 116 CO 0.01 1.07 0.04 0.87 0.23 0.00 0.00 176.91 179.13 2pfu h LYS 117 N -0.08 0.26 -0.15 0.39 1.79 -0.98 -2.71 116.57 115.09 2pfu h LYS 117 Ca -0.06 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.29 2pfu h LYS 117 Cb 1.24 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.84 2pfu h LYS 117 CO 0.11 0.41 -0.17 -0.39 -1.08 0.00 0.00 179.45 178.32 2pfu h VAL 118 N 0.07 1.20 0.31 0.50 -1.51 -1.35 -2.74 116.25 112.74 2pfu h VAL 118 Ca 0.05 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 64.59 2pfu h VAL 118 Cb 0.26 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 2pfu h VAL 118 CO 0.00 0.28 -0.15 -0.03 -1.23 0.00 0.00 177.57 176.44 2pfu h MET 119 N 0.23 -0.41 -0.54 5.19 1.85 -1.13 0.24 114.93 120.37 2pfu h MET 119 Ca 0.04 0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.19 2pfu h MET 119 Cb 0.45 0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.53 2pfu h MET 119 CO 0.03 -0.27 0.31 0.22 -0.40 0.00 0.00 176.91 176.80 2pfu h ASP 120 N -0.43 0.49 -0.55 1.39 1.82 -1.37 -2.49 116.42 115.29 2pfu h ASP 120 Ca -0.04 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.57 2pfu h ASP 120 Cb 0.33 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.22 2pfu h ASP 120 CO 0.07 0.34 0.17 0.74 -1.61 0.00 0.00 179.24 178.96 2pfu h THR 121 N 0.61 1.23 -0.54 2.25 2.02 -1.31 -1.36 112.91 115.82 2pfu h THR 121 Ca 0.22 -0.79 0.10 0.00 0.77 0.00 0.00 66.41 66.72 2pfu h THR 121 Cb 0.06 0.72 -0.09 0.00 -1.74 0.00 0.00 68.15 67.10 2pfu h THR 121 CO -0.12 0.29 0.04 0.25 0.37 0.00 0.00 175.52 176.35 2pfu h LEU 122 N 0.76 -0.16 -0.69 2.58 7.12 -0.08 -0.21 115.31 124.63 2pfu h LEU 122 Ca 0.18 0.12 -0.14 0.00 0.13 0.00 0.00 57.88 58.17 2pfu h LEU 122 Cb 0.27 0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.59 2pfu h LEU 122 CO -0.01 -0.05 -0.57 0.45 -0.13 0.00 0.00 178.44 178.13 2pfu h HIS 123 N 0.16 0.33 -0.91 1.25 3.86 -1.32 -2.83 115.15 115.68 2pfu h HIS 123 Ca 0.28 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2pfu h HIS 123 Cb 0.42 -0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 2pfu h HIS 123 CO -0.30 0.77 0.59 1.96 0.86 0.00 0.00 177.93 181.80 2pfu h GLN 124 N 0.20 1.20 -0.45 2.45 1.08 0.07 -0.92 115.11 118.74 2pfu h GLN 124 Ca -0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2pfu h GLN 124 Cb 1.06 -0.27 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 2pfu h GLN 124 CO 0.09 0.81 0.00 0.00 -0.95 0.00 0.00 178.83 178.78 2pfu n ALA 125 N -2.40 2.43 0.00 3.87 0.00 -0.42 -5.02 120.51 118.97 2pfu n ALA 125 Ca 0.10 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2pfu n ALA 125 Cb 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2pfu n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pfu n GLY 126 N 1.22 0.91 2.95 0.00 0.00 -0.35 -5.01 105.19 104.91 2pfu n GLY 126 Ca 0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.11 2pfu n GLY 126 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2pfu n TYR 127 N 0.00 -2.22 0.00 1.61 4.01 -1.26 -3.87 117.16 115.44 2pfu n TYR 127 Ca 0.00 0.98 0.06 0.00 -0.16 0.00 0.00 57.90 58.77 2pfu n TYR 127 Cb 0.00 -2.65 0.12 0.00 -0.31 0.00 0.00 39.34 36.51 2pfu n TYR 127 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2pfu n LEU 128 N 0.90 2.65 -3.25 7.72 4.77 -1.26 -4.72 117.00 123.80 2pfu n LEU 128 Ca 0.00 -1.72 -0.24 0.00 -0.03 0.00 0.00 56.01 54.01 2pfu n LEU 128 Cb 0.26 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.10 2pfu n LEU 128 CO 0.26 0.63 -0.28 0.29 -1.33 0.00 0.00 177.39 176.95 2pfu n LYS 129 N 0.54 0.47 -3.93 3.23 4.01 -1.26 -5.09 118.16 116.14 2pfu n LYS 129 Ca 0.10 -3.12 -0.35 0.00 -0.51 0.00 0.00 58.31 54.43 2pfu n LYS 129 Cb 0.38 -1.43 -0.14 0.00 -0.51 0.00 0.00 35.03 33.34 2pfu n LYS 129 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2pfu s ILE 130 N -0.53 2.91 0.22 -0.18 -1.09 -1.26 -2.46 121.20 118.81 2pfu s ILE 130 Ca 0.34 -1.32 -0.30 0.00 -2.23 0.00 0.00 60.65 57.14 2pfu s ILE 130 Cb 0.11 -2.63 -0.09 0.00 -1.58 0.00 0.00 42.46 38.27 2pfu s ILE 130 CO -0.15 -0.03 1.21 -0.83 -1.23 0.00 0.00 174.94 173.91 2pfu s GLY 131 N 1.26 2.73 -0.70 6.18 0.00 0.87 -4.89 107.32 112.78 2pfu s GLY 131 Ca -0.04 1.00 -0.19 0.00 0.00 0.00 0.00 44.72 45.48 2pfu s GLY 131 CO -0.02 1.84 0.86 1.08 0.00 0.00 0.00 173.10 176.85 2pfu s LEU 132 N -0.56 5.23 0.47 0.66 1.43 -1.26 -1.65 118.68 123.00 2pfu s LEU 132 Ca 0.52 -1.59 -0.24 0.00 -1.03 0.00 0.00 54.13 51.78 2pfu s LEU 132 Cb -0.34 -2.34 -0.08 0.00 0.03 0.00 0.00 46.19 43.47 2pfu s LEU 132 CO 0.39 -1.13 1.37 0.55 0.23 0.00 0.00 176.35 177.77 2pfu n VAL 133 N 5.47 3.01 -3.52 -1.59 3.14 -1.26 -3.06 118.33 120.53 2pfu n VAL 133 Ca 0.01 -0.50 -0.18 0.00 -2.96 0.00 0.00 64.34 60.71 2pfu n VAL 133 Cb 0.45 -1.73 0.07 0.00 -1.06 0.00 0.00 33.84 31.57 2pfu n VAL 133 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2pfu n GLY 134 N 0.69 -0.36 2.38 7.55 0.00 -1.26 -4.87 105.19 109.32 2pfu n GLY 134 Ca 0.07 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2pfu n GLY 134 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pfu n GLU 135 N -4.16 3.86 -2.84 1.61 4.07 -1.17 -4.86 120.64 117.15 2pfu n GLU 135 Ca -0.29 -2.69 -0.44 0.00 -0.06 0.00 0.00 57.16 53.69 2pfu n GLU 135 Cb 0.67 -2.60 -0.01 0.00 -0.06 0.00 0.00 31.44 29.45 2pfu n GLU 135 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2pfu s GLU 136 N 0.22 3.98 0.67 5.31 2.12 -1.26 -5.00 118.70 124.73 2pfu s GLU 136 Ca 0.62 -2.27 -0.16 0.00 0.36 0.00 0.00 54.97 53.52 2pfu s GLU 136 Cb 0.21 -5.16 0.01 0.00 0.26 0.00 0.00 34.13 29.45 2pfu s GLU 136 CO -0.09 -1.90 1.16 0.99 -0.54 0.00 0.00 175.26 174.89 2pfu s THR 137 N 2.48 2.79 -0.12 -1.70 2.01 -1.26 -5.05 115.64 114.78 2pfu s THR 137 Ca 0.44 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.70 2pfu s THR 137 Cb -0.01 -2.97 0.04 0.00 0.01 0.00 0.00 72.50 69.56 2pfu s THR 137 CO -0.00 -0.20 0.37 0.00 -0.69 0.00 0.00 174.62 174.11 2pfu s ALA 138 N -2.06 -0.92 0.59 7.40 0.00 -1.26 -5.16 121.76 120.33 2pfu s ALA 138 Ca 0.72 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 53.53 2pfu s ALA 138 Cb -0.25 -0.53 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 2pfu s ALA 138 CO 0.41 -0.19 1.01 0.21 0.00 0.00 0.00 175.76 177.20 2pfu s LYS 139 N -0.00 3.70 0.18 0.00 2.20 -1.26 -5.09 119.74 119.47 2pfu s LYS 139 Ca -0.02 0.80 -0.23 0.00 -0.36 0.00 0.00 55.97 56.16 2pfu s LYS 139 Cb -0.03 -2.10 0.06 0.00 -1.51 0.00 0.00 37.83 34.25 2pfu s LYS 139 CO 0.01 -0.47 0.61 0.00 -0.36 0.00 0.00 175.35 175.14 2pfu s ALA 140 N -3.01 -1.54 0.00 3.13 0.00 -1.26 -5.35 121.76 113.74 2pfu s ALA 140 Ca 0.56 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.89 2pfu s ALA 140 Cb -0.11 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.90 2pfu s ALA 140 CO 0.47 -0.81 0.00 1.17 0.00 0.00 0.00 175.76 176.60