#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi n ARG 12 N 0.00 0.60 -1.87 1.97 1.74 -1.26 -5.03 116.66 112.80 2hgi n ARG 12 Ca 0.00 0.31 -0.01 0.00 -0.77 0.00 0.00 57.85 57.38 2hgi n ARG 12 Cb 0.00 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 29.88 2hgi n ARG 12 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2hgi n GLN 13 N -4.17 -2.82 -2.73 5.56 1.13 -1.26 -4.93 117.38 108.16 2hgi n GLN 13 Ca -0.49 2.29 -0.07 0.00 -1.94 0.00 0.00 57.00 56.79 2hgi n GLN 13 Cb 0.86 -3.01 0.06 0.00 0.11 0.00 0.00 30.24 28.26 2hgi n GLN 13 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2hgi n VAL 14 N 1.01 0.00 0.00 5.09 0.31 -0.02 -4.88 118.33 119.83 2hgi n VAL 14 Ca -0.08 -1.33 0.00 0.00 -0.01 0.00 0.00 64.34 62.92 2hgi n VAL 14 Cb 0.12 1.42 0.00 0.00 -0.91 0.00 0.00 33.84 34.47 2hgi n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgi n ALA 15 N 1.59 0.00 -3.66 3.52 0.00 0.12 -4.23 120.51 117.86 2hgi n ALA 15 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.23 2hgi n ALA 15 Cb 0.65 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.93 2hgi n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hgi s SER 16 N -0.10 2.36 0.00 0.00 0.15 -1.26 -0.93 113.70 113.92 2hgi s SER 16 Ca 0.00 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2hgi s SER 16 Cb 0.00 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2hgi s SER 16 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 2hgi n GLY 17 N 4.22 3.65 3.25 9.45 0.00 0.21 -3.88 105.19 122.08 2hgi n GLY 17 Ca -0.19 -0.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 2hgi n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgi s ARG 18 N 1.24 1.03 -0.18 1.61 3.00 0.14 -1.12 118.95 124.67 2hgi s ARG 18 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 55.73 54.60 2hgi s ARG 18 Cb 0.00 -1.13 0.03 0.00 0.00 0.00 0.00 34.95 33.85 2hgi s ARG 18 CO 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 175.30 175.41 2hgi s ALA 19 N -1.45 2.06 -0.32 2.13 0.00 -0.05 -0.54 121.76 123.59 2hgi s ALA 19 Ca 0.05 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 2hgi s ALA 19 Cb -0.09 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2hgi s ALA 19 CO 0.04 -0.55 0.26 0.71 0.00 0.00 0.00 175.76 176.21 2hgi s TYR 20 N 1.39 3.22 -0.28 0.00 1.51 0.34 -0.78 117.35 122.75 2hgi s TYR 20 Ca 0.02 -0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.02 2hgi s TYR 20 Cb -0.14 -2.49 0.05 0.00 -0.11 0.00 0.00 41.96 39.26 2hgi s TYR 20 CO -0.10 -0.31 -0.03 0.96 -1.11 0.00 0.00 175.55 174.96 2hgi s ILE 21 N 1.80 2.85 -0.04 2.71 -4.36 -0.38 -0.77 121.20 123.02 2hgi s ILE 21 Ca 0.08 -1.35 0.06 0.00 -0.26 0.00 0.00 60.65 59.18 2hgi s ILE 21 Cb -0.17 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.92 2hgi s ILE 21 CO 0.11 -0.03 -0.22 -2.28 0.24 0.00 0.00 174.94 172.76 2hgi s HIS 22 N 1.25 2.48 -0.06 1.37 5.65 -0.24 -1.12 115.29 124.62 2hgi s HIS 22 Ca -0.05 -0.42 0.02 0.00 0.25 0.00 0.00 55.06 54.86 2hgi s HIS 22 Cb -0.19 -1.57 0.02 0.00 -1.18 0.00 0.00 32.58 29.65 2hgi s HIS 22 CO -0.02 -0.02 -0.10 0.00 -0.65 0.00 0.00 174.74 173.95 2hgi s ALA 23 N -0.51 1.07 0.51 1.58 0.00 -0.33 -0.92 121.76 123.16 2hgi s ALA 23 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2hgi s ALA 23 Cb -0.11 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2hgi s ALA 23 CO 0.01 0.08 0.00 -1.13 0.00 0.00 0.00 175.76 174.72 2hgi n SER 24 N 3.85 0.00 -2.24 0.00 3.41 -0.29 -4.05 113.62 114.30 2hgi n SER 24 Ca -0.24 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.33 2hgi n SER 24 Cb 0.52 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.52 2hgi n SER 24 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2hgi n TYR 25 N 0.00 1.29 -2.69 7.33 4.01 -1.26 -1.30 117.16 124.55 2hgi n TYR 25 Ca 0.00 -1.82 -0.05 0.00 -0.16 0.00 0.00 57.90 55.86 2hgi n TYR 25 Cb 0.00 -0.24 0.10 0.00 -0.31 0.00 0.00 39.34 38.89 2hgi n TYR 25 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2hgi n ASN 26 N -0.48 -1.61 0.00 7.72 2.85 -1.26 -4.92 115.26 117.56 2hgi n ASN 26 Ca 0.16 -2.47 0.00 0.00 -0.11 0.00 0.00 54.58 52.16 2hgi n ASN 26 Cb 0.89 1.40 0.00 0.00 1.24 0.00 0.00 39.78 43.31 2hgi n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2hgi n ASN 27 N 0.50 0.00 -4.18 1.20 5.15 -1.24 -4.34 115.26 112.35 2hgi n ASN 27 Ca -0.01 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.86 2hgi n ASN 27 Cb 0.74 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.89 2hgi n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hgi s THR 28 N -2.74 0.23 -0.04 -0.44 2.01 -1.26 -1.14 115.64 112.26 2hgi s THR 28 Ca 0.00 -1.94 0.04 0.00 0.31 0.00 0.00 61.69 60.11 2hgi s THR 28 Cb 0.00 -2.13 -0.00 0.00 0.01 0.00 0.00 72.50 70.38 2hgi s THR 28 CO 0.00 -0.40 -0.16 0.27 -0.69 0.00 0.00 174.62 173.63 2hgi s ILE 29 N -3.97 1.35 -0.18 1.82 -5.25 -0.10 -1.26 121.20 113.61 2hgi s ILE 29 Ca 0.26 -0.68 -0.00 0.00 -0.99 0.00 0.00 60.65 59.24 2hgi s ILE 29 Cb 0.07 -1.16 0.04 0.00 2.95 0.00 0.00 42.46 44.36 2hgi s ILE 29 CO 0.04 0.39 -0.07 -0.69 -1.79 0.00 0.00 174.94 172.82 2hgi s VAL 30 N -0.00 1.29 -0.12 8.37 1.01 -0.27 -1.08 120.40 129.61 2hgi s VAL 30 Ca -0.02 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 2hgi s VAL 30 Cb -0.11 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 2hgi s VAL 30 CO 0.02 0.13 -0.10 -0.89 0.00 0.00 0.00 175.10 174.25 2hgi s THR 31 N 1.55 3.33 -0.22 3.92 2.01 0.05 -0.98 115.64 125.29 2hgi s THR 31 Ca -0.00 -0.58 -0.09 0.00 0.31 0.00 0.00 61.69 61.33 2hgi s THR 31 Cb -0.16 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.91 2hgi s THR 31 CO -0.08 0.54 0.13 -0.63 -0.69 0.00 0.00 174.62 173.89 2hgi s ILE 32 N 0.03 5.14 0.18 1.82 1.01 -0.03 -0.50 121.20 128.85 2hgi s ILE 32 Ca -0.03 0.10 0.08 0.00 0.00 0.00 0.00 60.65 60.80 2hgi s ILE 32 Cb -0.14 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 2hgi s ILE 32 CO 0.04 0.38 -0.16 0.42 0.00 0.00 0.00 174.94 175.61 2hgi s THR 33 N 0.89 1.74 0.00 2.92 -4.23 0.30 -0.76 115.64 116.50 2hgi s THR 33 Ca 0.06 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2hgi s THR 33 Cb -0.13 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2hgi s THR 33 CO 0.03 -0.43 0.00 -0.90 -0.54 0.00 0.00 174.62 172.78 2hgi n ASP 34 N 0.06 0.00 0.20 3.99 5.75 -0.07 -0.68 116.55 125.79 2hgi n ASP 34 Ca -0.11 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.78 2hgi n ASP 34 Cb 0.58 0.00 0.13 0.00 -1.03 0.00 0.00 41.12 40.81 2hgi n ASP 34 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 2hgi h PRO 35 N 0.00 0.00 0.00 0.11 0.11 -1.89 -2.10 132.00 128.23 2hgi h PRO 35 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2hgi h PRO 35 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2hgi h PRO 35 CO 0.00 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 177.56 2hgi n ASP 36 N -3.03 0.00 0.00 -2.05 10.43 -1.26 -4.90 116.55 115.75 2hgi n ASP 36 Ca 0.03 0.09 0.00 0.00 2.57 0.00 0.00 54.79 57.48 2hgi n ASP 36 Cb 0.54 -0.42 0.00 0.00 1.84 0.00 0.00 41.12 43.08 2hgi n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2hgi n GLY 37 N 1.74 0.02 3.59 0.44 0.00 -1.26 -5.10 105.19 104.62 2hgi n GLY 37 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2hgi n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hgi n ASN 38 N -1.66 -0.24 -0.90 1.61 4.13 -1.26 -4.63 115.26 112.30 2hgi n ASN 38 Ca 0.00 0.45 0.00 0.00 1.68 0.00 0.00 54.58 56.71 2hgi n ASN 38 Cb 0.00 -1.40 0.00 0.00 -1.54 0.00 0.00 39.78 36.84 2hgi n ASN 38 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2hgi n PRO 39 N -3.12 2.66 0.00 3.52 -0.04 -1.26 -0.89 135.00 135.86 2hgi n PRO 39 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2hgi n PRO 39 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 2hgi n PRO 39 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2hgi n ILE 40 N -0.20 0.00 -3.88 0.52 -0.00 0.06 -4.72 119.36 111.15 2hgi n ILE 40 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 2hgi n ILE 40 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.65 2hgi n ILE 40 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2hgi s THR 41 N -1.00 0.00 -0.68 7.28 -4.23 -1.24 -5.04 115.64 110.73 2hgi s THR 41 Ca 0.00 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 2hgi s THR 41 Cb 0.00 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2hgi s THR 41 CO 0.00 0.00 0.00 -2.67 -0.54 0.00 0.00 174.62 171.41 2hgi n TRP 42 N -0.53 0.00 -3.78 3.99 4.27 -1.26 -0.85 117.44 119.28 2hgi n TRP 42 Ca -0.06 0.00 -0.02 0.00 -3.89 0.00 0.00 57.50 53.53 2hgi n TRP 42 Cb 0.60 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.55 2hgi n TRP 42 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 2hgi s SER 43 N -4.00 -0.08 0.17 -0.67 0.15 -0.16 -4.39 113.70 104.73 2hgi s SER 43 Ca 0.00 -0.41 -0.24 0.00 0.70 0.00 0.00 55.95 56.00 2hgi s SER 43 Cb 0.00 0.39 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 2hgi s SER 43 CO 0.00 -0.74 0.97 -0.44 1.20 0.00 0.00 173.24 174.22 2hgi s SER 44 N -3.17 -0.14 0.00 5.45 0.01 -1.26 -1.11 113.70 113.48 2hgi s SER 44 Ca 0.17 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2hgi s SER 44 Cb -0.00 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2hgi s SER 44 CO 0.02 -0.95 0.50 0.61 0.41 0.00 0.00 173.24 173.82 2hgi n GLY 45 N -0.51 -0.00 0.00 3.44 0.00 -0.39 -0.09 105.19 107.63 2hgi n GLY 45 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2hgi n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgi n GLY 46 N -1.00 -0.01 0.16 -0.02 0.00 -1.26 -3.85 105.19 99.20 2hgi n GLY 46 Ca 0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2hgi n GLY 46 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hgi h VAL 47 N 0.00 1.36 0.00 1.61 2.07 -1.62 -3.19 116.25 116.48 2hgi h VAL 47 Ca -0.00 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 64.96 2hgi h VAL 47 Cb 0.16 2.64 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2hgi h VAL 47 CO 0.00 0.77 0.04 -0.38 0.02 0.00 0.00 177.57 178.01 2hgi n ILE 48 N -3.73 0.39 -3.39 4.57 2.08 0.87 -4.66 119.36 115.48 2hgi n ILE 48 Ca -0.10 -0.11 -0.15 0.00 0.56 0.00 0.00 62.75 62.94 2hgi n ILE 48 Cb 0.94 -1.14 -0.05 0.00 -0.75 0.00 0.00 39.64 38.64 2hgi n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2hgi n GLY 49 N 2.01 -0.06 3.01 7.39 0.00 -1.20 -4.89 105.19 111.45 2hgi n GLY 49 Ca 0.01 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2hgi n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hgi s TYR 50 N -3.65 1.77 0.35 1.61 4.12 -1.25 -5.05 117.35 115.25 2hgi s TYR 50 Ca 0.01 -0.83 0.08 0.00 0.02 0.00 0.00 57.07 56.35 2hgi s TYR 50 Cb -0.01 -1.32 -0.05 0.00 -1.52 0.00 0.00 41.96 39.06 2hgi s TYR 50 CO 0.50 -0.46 0.08 0.15 0.02 0.00 0.00 175.55 175.83 2hgi s LYS 51 N 1.13 2.18 4.36 -0.62 -0.14 -1.26 -4.31 119.74 121.08 2hgi s LYS 51 Ca -0.05 -1.72 0.00 0.00 -1.36 0.00 0.00 55.97 52.84 2hgi s LYS 51 Cb -0.14 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 34.01 2hgi s LYS 51 CO -0.03 0.08 0.00 0.41 -0.76 0.00 0.00 175.35 175.05 2hgi n GLY 52 N -1.05 1.01 0.00 -3.33 0.00 -1.26 -3.85 105.19 96.70 2hgi n GLY 52 Ca -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2hgi n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgi n SER 53 N 1.81 0.00 0.00 1.61 3.41 -1.26 -4.25 113.62 114.94 2hgi n SER 53 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2hgi n SER 53 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2hgi n SER 53 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2hgi n ARG 54 N -0.30 0.00 -0.15 4.33 5.12 -1.25 -0.82 116.66 123.59 2hgi n ARG 54 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 2hgi n ARG 54 Cb 0.00 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 31.55 2hgi n ARG 54 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2hgi n LYS 55 N 0.00 -0.02 -2.19 5.56 5.02 -1.25 -0.74 118.16 124.54 2hgi n LYS 55 Ca 0.00 0.55 -0.42 0.00 -2.02 0.00 0.00 58.31 56.41 2hgi n LYS 55 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2hgi n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hgi n GLY 56 N -1.14 4.73 2.97 0.72 0.00 -0.00 -3.64 105.19 108.84 2hgi n GLY 56 Ca 0.16 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.00 2hgi n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hgi s THR 57 N 0.86 0.60 0.64 2.61 -1.32 0.08 -4.60 115.64 114.50 2hgi s THR 57 Ca 0.42 -0.28 0.30 0.00 -1.21 0.00 0.00 61.69 60.92 2hgi s THR 57 Cb 0.11 -0.54 0.34 0.00 -1.51 0.00 0.00 72.50 70.90 2hgi s THR 57 CO -0.02 0.19 1.96 1.55 -2.21 0.00 0.00 174.62 176.10 2hgi h PRO 58 N 6.28 0.00 0.00 7.08 0.13 -1.73 -0.41 132.00 143.35 2hgi h PRO 58 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2hgi h PRO 58 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2hgi h PRO 58 CO 0.49 0.00 0.00 0.98 -0.23 0.00 0.00 178.00 179.24 2hgi n TYR 59 N -3.25 0.00 -0.31 1.56 9.36 -1.26 -0.96 117.16 122.30 2hgi n TYR 59 Ca 0.01 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.43 2hgi n TYR 59 Cb 0.43 -0.20 0.37 0.00 -0.63 0.00 0.00 39.34 39.31 2hgi n TYR 59 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2hgi n ALA 60 N -1.10 0.64 -0.23 2.98 0.00 -0.99 0.24 120.51 122.05 2hgi n ALA 60 Ca 0.00 0.97 -0.06 0.00 0.00 0.00 0.00 53.44 54.35 2hgi n ALA 60 Cb 0.00 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 2hgi n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi n ALA 61 N -2.88 -0.35 -0.36 0.00 0.00 -0.20 0.30 120.51 117.02 2hgi n ALA 61 Ca 0.27 0.46 0.03 0.00 0.00 0.00 0.00 53.44 54.20 2hgi n ALA 61 Cb 0.88 0.15 0.09 0.00 0.00 0.00 0.00 19.45 20.58 2hgi n ALA 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2hgi n GLN 62 N -4.23 -0.15 0.13 0.00 0.00 0.65 -0.88 117.38 112.90 2hgi n GLN 62 Ca 0.01 1.52 -0.06 0.00 -0.00 0.00 0.00 57.00 58.47 2hgi n GLN 62 Cb 0.14 -2.27 -0.03 0.00 0.00 0.00 0.00 30.24 28.08 2hgi n GLN 62 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2hgi h LEU 63 N 0.00 -0.41 -1.41 1.69 6.46 0.59 -0.25 115.31 121.98 2hgi h LEU 63 Ca 0.41 0.02 0.21 0.00 -0.12 0.00 0.00 57.88 58.41 2hgi h LEU 63 Cb 0.66 0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 40.63 2hgi h LEU 63 CO -0.99 -0.24 0.61 0.00 -0.62 0.00 0.00 178.44 177.20 2hgi h ALA 64 N -1.63 2.12 -0.02 1.25 0.00 -0.85 1.16 119.26 121.30 2hgi h ALA 64 Ca -0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2hgi h ALA 64 Cb 0.30 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2hgi h ALA 64 CO 0.02 -0.44 -0.37 0.00 0.00 0.00 0.00 179.25 178.47 2hgi h ALA 65 N 1.61 -0.80 -0.69 0.00 0.00 -0.43 0.47 119.26 119.43 2hgi h ALA 65 Ca 0.50 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.42 2hgi h ALA 65 Cb 1.17 0.82 -0.08 0.00 0.00 0.00 0.00 17.79 19.70 2hgi h ALA 65 CO -0.22 -0.91 -0.41 1.28 0.00 0.00 0.00 179.25 178.99 2hgi n LEU 66 N -4.50 -0.73 -0.02 0.00 4.77 0.38 -0.98 117.00 115.92 2hgi n LEU 66 Ca -0.05 1.42 -0.06 0.00 -0.03 0.00 0.00 56.01 57.29 2hgi n LEU 66 Cb 0.27 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2hgi n LEU 66 CO 0.08 -1.10 0.50 -0.78 -1.33 0.00 0.00 177.39 174.76 2hgi h ASP 67 N 0.00 -0.75 -0.98 -1.43 1.82 -0.39 0.42 116.42 115.11 2hgi h ASP 67 Ca 0.11 0.09 0.41 0.00 -0.39 0.00 0.00 57.03 57.25 2hgi h ASP 67 Cb 0.28 0.30 -0.18 0.00 0.68 0.00 0.00 39.33 40.41 2hgi h ASP 67 CO -0.65 -0.20 0.51 0.00 -1.61 0.00 0.00 179.24 177.30 2hgi n ALA 68 N -2.79 1.00 0.20 -0.78 0.00 0.10 0.17 120.51 118.41 2hgi n ALA 68 Ca -0.02 1.01 -0.08 0.00 0.00 0.00 0.00 53.44 54.34 2hgi n ALA 68 Cb 0.16 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 2hgi n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi h ALA 69 N 1.97 -0.97 -0.98 0.00 0.00 0.16 0.64 119.26 120.08 2hgi h ALA 69 Ca 0.83 -0.11 0.29 0.00 0.00 0.00 0.00 54.91 55.92 2hgi h ALA 69 Cb 2.18 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 19.99 2hgi h ALA 69 CO -0.76 -0.93 0.12 0.87 0.00 0.00 0.00 179.25 178.55 2hgi h LYS 70 N -0.59 0.02 0.63 0.00 6.56 0.12 2.26 116.57 125.57 2hgi h LYS 70 Ca -0.05 -0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.51 2hgi h LYS 70 Cb 0.39 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.04 2hgi h LYS 70 CO 0.09 0.02 -0.42 0.87 -2.06 0.00 0.00 179.45 177.94 2hgi h LYS 71 N 0.02 -0.96 -0.58 3.15 1.57 -1.12 -0.97 116.57 117.67 2hgi h LYS 71 Ca 0.63 0.07 0.13 0.00 -1.87 0.00 0.00 60.65 59.61 2hgi h LYS 71 Cb 1.38 0.22 -0.11 0.00 0.08 0.00 0.00 32.23 33.80 2hgi h LYS 71 CO -0.88 -0.64 -0.10 0.00 -0.57 0.00 0.00 179.45 177.26 2hgi n ALA 72 N -2.66 0.18 -0.03 3.86 0.00 0.75 0.44 120.51 123.05 2hgi n ALA 72 Ca -0.12 0.64 -0.12 0.00 0.00 0.00 0.00 53.44 53.84 2hgi n ALA 72 Cb 0.42 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 2hgi n ALA 72 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2hgi h MET 73 N 0.00 0.19 -0.03 0.00 2.86 -0.58 -3.21 114.93 114.16 2hgi h MET 73 Ca 0.30 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2hgi h MET 73 Cb 0.51 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2hgi h MET 73 CO -0.59 0.35 -0.02 0.00 1.06 0.00 0.00 176.91 177.72 2hgi n ALA 74 N -2.25 -0.02 -1.94 6.32 0.00 1.52 -4.10 120.51 120.06 2hgi n ALA 74 Ca -0.05 0.02 -0.25 0.00 0.00 0.00 0.00 53.44 53.16 2hgi n ALA 74 Cb 0.15 0.13 0.07 0.00 0.00 0.00 0.00 19.45 19.79 2hgi n ALA 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2hgi s TYR 75 N -3.21 2.90 -0.51 0.00 1.51 -1.21 -4.86 117.35 111.97 2hgi s TYR 75 Ca -0.00 0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 56.23 2hgi s TYR 75 Cb 0.00 -3.15 -0.22 0.00 -0.11 0.00 0.00 41.96 38.49 2hgi s TYR 75 CO 0.02 -1.35 1.64 0.41 -1.11 0.00 0.00 175.55 175.15 2hgi n GLY 76 N -2.86 -0.08 3.55 0.71 0.00 -1.26 -4.75 105.19 100.51 2hgi n GLY 76 Ca 0.08 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 2hgi n GLY 76 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hgi s MET 77 N 7.04 0.95 0.00 1.61 1.00 -1.21 0.14 119.30 128.83 2hgi s MET 77 Ca 0.58 -0.40 0.00 0.00 0.00 0.00 0.00 55.69 55.86 2hgi s MET 77 Cb 0.02 0.41 0.00 0.00 0.00 0.00 0.00 34.83 35.25 2hgi s MET 77 CO 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 175.02 174.78 2hgi n GLN 78 N -0.31 0.00 -2.40 2.03 -0.00 -1.22 -3.21 117.38 112.27 2hgi n GLN 78 Ca -0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 57.00 56.49 2hgi n GLN 78 Cb 0.62 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 30.83 2hgi n GLN 78 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2hgi s SER 79 N 0.00 7.06 -0.14 2.61 0.15 -0.11 -3.78 113.70 119.50 2hgi s SER 79 Ca 0.00 2.06 -0.25 0.00 0.70 0.00 0.00 55.95 58.46 2hgi s SER 79 Cb 0.00 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.79 2hgi s SER 79 CO 0.00 -0.47 0.63 -0.69 1.20 0.00 0.00 173.24 173.91 2hgi s VAL 80 N 0.94 0.01 -0.20 4.45 1.01 -1.20 -0.62 120.40 124.78 2hgi s VAL 80 Ca 0.58 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 2hgi s VAL 80 Cb -0.30 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 2hgi s VAL 80 CO 0.30 -0.03 0.14 -1.81 0.00 0.00 0.00 175.10 173.70 2hgi s ASP 81 N -0.46 6.22 -0.19 3.32 1.11 -0.28 -2.89 116.67 123.51 2hgi s ASP 81 Ca -0.06 0.24 -0.09 0.00 0.18 0.00 0.00 52.55 52.83 2hgi s ASP 81 Cb -0.03 -2.09 -0.05 0.00 1.07 0.00 0.00 42.92 41.83 2hgi s ASP 81 CO 0.05 0.18 0.10 -0.69 1.18 0.00 0.00 175.17 175.99 2hgi s VAL 82 N 0.35 5.10 -0.07 -1.27 1.01 0.68 -0.87 120.40 125.32 2hgi s VAL 82 Ca 0.08 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 2hgi s VAL 82 Cb -0.11 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 2hgi s VAL 82 CO -0.02 0.45 0.23 -0.63 0.00 0.00 0.00 175.10 175.14 2hgi s ILE 83 N 0.35 5.34 -0.26 2.22 1.09 0.03 0.12 121.20 130.10 2hgi s ILE 83 Ca 0.06 0.40 -0.07 0.00 -1.10 0.00 0.00 60.65 59.94 2hgi s ILE 83 Cb -0.12 -3.51 -0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2hgi s ILE 83 CO -0.01 0.59 0.07 0.68 -0.10 0.00 0.00 174.94 176.17 2hgi s VAL 84 N -1.07 4.21 -0.25 2.92 -7.23 -0.67 -1.25 120.40 117.06 2hgi s VAL 84 Ca 0.19 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 60.05 2hgi s VAL 84 Cb -0.14 -3.03 0.06 0.00 0.56 0.00 0.00 36.38 33.83 2hgi s VAL 84 CO 0.08 0.25 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.88 2hgi s ARG 85 N 1.58 2.33 2.31 4.82 1.81 -0.28 0.47 118.95 131.99 2hgi s ARG 85 Ca 0.05 -1.29 0.00 0.00 -1.72 0.00 0.00 55.73 52.77 2hgi s ARG 85 Cb -0.16 -2.86 0.00 0.00 -0.45 0.00 0.00 34.95 31.48 2hgi s ARG 85 CO 0.03 -0.53 0.00 0.41 -0.68 0.00 0.00 175.30 174.53 2hgi n GLY 86 N 4.46 -0.09 3.87 -3.53 0.00 -1.26 -1.18 105.19 107.45 2hgi n GLY 86 Ca -0.15 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2hgi n GLY 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hgi s THR 87 N 0.00 4.90 -0.22 2.61 -4.23 -1.26 -4.62 115.64 112.82 2hgi s THR 87 Ca 0.00 0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 60.89 2hgi s THR 87 Cb 0.00 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 2hgi s THR 87 CO 0.00 -0.11 0.32 -0.83 -0.54 0.00 0.00 174.62 173.47 2hgi s GLY 88 N -2.40 2.05 0.00 3.99 0.00 -1.26 -3.85 107.32 105.85 2hgi s GLY 88 Ca 0.48 -0.65 -0.01 0.00 0.00 0.00 0.00 44.72 44.54 2hgi s GLY 88 CO 0.21 0.69 1.54 0.00 0.00 0.00 0.00 173.10 175.54 2hgi n ALA 89 N 4.44 3.30 0.00 3.20 0.00 -0.42 -0.76 120.51 130.27 2hgi n ALA 89 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2hgi n ALA 89 Cb 0.51 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2hgi n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgi n GLY 90 N 2.12 0.75 0.46 0.00 0.00 -1.26 -3.22 105.19 104.05 2hgi n GLY 90 Ca 0.09 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.43 2hgi n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2hgi h ARG 91 N 0.00 0.19 0.00 1.61 2.43 -1.29 -2.93 114.38 114.38 2hgi h ARG 91 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2hgi h ARG 91 Cb 0.00 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2hgi h ARG 91 CO 0.00 0.12 0.00 -1.91 -1.51 0.00 0.00 179.97 176.67 2hgi n GLU 92 N -4.56 0.00 -0.24 0.20 4.07 -1.26 -0.96 120.64 117.89 2hgi n GLU 92 Ca 0.31 0.00 0.20 0.00 -0.06 0.00 0.00 57.16 57.61 2hgi n GLU 92 Cb 1.21 -0.48 0.33 0.00 -0.06 0.00 0.00 31.44 32.43 2hgi n GLU 92 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2hgi n GLN 93 N -0.28 -0.02 0.00 5.31 6.02 -1.24 0.20 117.38 127.38 2hgi n GLN 93 Ca 0.00 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 2hgi n GLN 93 Cb 0.00 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.08 2hgi n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2hgi n ALA 94 N -2.56 -0.28 -0.23 -1.58 0.00 -1.08 -1.02 120.51 113.77 2hgi n ALA 94 Ca 0.19 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.91 2hgi n ALA 94 Cb 0.77 0.04 0.66 0.00 0.00 0.00 0.00 19.45 20.92 2hgi n ALA 94 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2hgi h ILE 95 N 0.00 0.55 0.45 0.00 2.04 0.41 0.95 117.51 121.91 2hgi h ILE 95 Ca 0.00 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2hgi h ILE 95 Cb 0.00 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2hgi h ILE 95 CO 0.00 0.02 -0.21 -0.09 0.00 0.00 0.00 178.15 177.87 2hgi h ARG 96 N 0.12 -0.58 -0.82 2.37 9.65 -0.75 -0.62 114.38 123.76 2hgi h ARG 96 Ca 0.47 0.04 0.17 0.00 -1.10 0.00 0.00 59.98 59.56 2hgi h ARG 96 Cb 1.66 0.13 -0.11 0.00 -1.39 0.00 0.00 29.97 30.27 2hgi h ARG 96 CO -0.07 -0.30 0.35 0.00 2.80 0.00 0.00 179.97 182.75 2hgi h ALA 97 N -0.31 1.22 -0.30 2.80 0.00 0.86 0.14 119.26 123.67 2hgi h ALA 97 Ca -0.06 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2hgi h ALA 97 Cb 0.54 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2hgi h ALA 97 CO 0.10 -0.23 -0.31 -0.07 0.00 0.00 0.00 179.25 178.74 2hgi h LEU 98 N 0.46 -1.07 0.25 0.00 3.38 -0.35 -1.12 115.31 116.86 2hgi h LEU 98 Ca 0.47 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 2hgi h LEU 98 Cb 0.78 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2hgi h LEU 98 CO -0.44 -0.20 -0.12 1.56 0.09 0.00 0.00 178.44 179.33 2hgi h GLN 99 N -0.17 -0.32 -0.63 1.13 4.20 -0.13 -3.30 115.11 115.89 2hgi h GLN 99 Ca 0.05 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.93 2hgi h GLN 99 Cb 0.30 0.07 -0.12 0.00 0.30 0.00 0.00 27.48 28.04 2hgi h GLN 99 CO -0.37 -0.20 -0.08 0.00 -0.67 0.00 0.00 178.83 177.51 2hgi n ALA 100 N -2.24 0.23 -1.26 3.87 0.00 0.39 0.39 120.51 121.88 2hgi n ALA 100 Ca -0.09 0.69 -0.27 0.00 0.00 0.00 0.00 53.44 53.76 2hgi n ALA 100 Cb 0.16 -0.45 0.04 0.00 0.00 0.00 0.00 19.45 19.19 2hgi n ALA 100 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hgi n SER 101 N -4.94 7.01 0.00 0.00 2.88 -0.50 -4.89 113.62 113.17 2hgi n SER 101 Ca 0.12 -3.42 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 2hgi n SER 101 Cb 0.39 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2hgi n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hgi n GLY 102 N -0.08 0.00 3.88 0.46 0.00 1.29 -4.47 105.19 106.27 2hgi n GLY 102 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.19 2hgi n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2hgi n LEU 103 N 0.00 -1.02 -1.68 0.99 4.77 -1.26 -2.03 117.00 116.76 2hgi n LEU 103 Ca 0.00 -0.72 -0.00 0.00 -0.03 0.00 0.00 56.01 55.26 2hgi n LEU 103 Cb 0.00 -1.71 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 2hgi n LEU 103 CO 0.00 0.13 0.03 1.67 -1.33 0.00 0.00 177.39 177.89 2hgi n GLN 104 N -3.79 -0.23 -1.75 3.23 0.00 -1.25 -4.10 117.38 109.50 2hgi n GLN 104 Ca 0.06 0.66 -0.42 0.00 -0.00 0.00 0.00 57.00 57.30 2hgi n GLN 104 Cb 0.49 -2.02 -0.01 0.00 0.00 0.00 0.00 30.24 28.69 2hgi n GLN 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2hgi n VAL 105 N -0.81 3.29 0.00 1.69 0.31 -0.86 -3.28 118.33 118.68 2hgi n VAL 105 Ca 0.01 -2.94 0.00 0.00 -0.01 0.00 0.00 64.34 61.40 2hgi n VAL 105 Cb 0.29 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.68 2hgi n VAL 105 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2hgi n LYS 106 N 6.45 0.00 -3.38 5.55 4.81 -1.14 -5.03 118.16 125.42 2hgi n LYS 106 Ca 0.51 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.73 2hgi n LYS 106 Cb 0.40 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.48 2hgi n LYS 106 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2hgi n SER 107 N 0.00 2.41 -3.75 3.14 3.41 -1.20 -4.97 113.62 112.67 2hgi n SER 107 Ca 0.00 -2.68 -0.12 0.00 -0.26 0.00 0.00 58.87 55.80 2hgi n SER 107 Cb 0.00 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 2hgi n SER 107 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2hgi s ILE 108 N -2.59 -0.01 0.05 -1.33 1.01 -1.26 -0.23 121.20 116.84 2hgi s ILE 108 Ca 0.43 0.05 0.03 0.00 0.00 0.00 0.00 60.65 61.16 2hgi s ILE 108 Cb -0.03 -0.45 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2hgi s ILE 108 CO 0.28 0.02 0.04 -0.69 0.00 0.00 0.00 174.94 174.58 2hgi s VAL 109 N 0.62 4.31 -0.35 2.92 1.01 0.12 -4.95 120.40 124.09 2hgi s VAL 109 Ca -0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2hgi s VAL 109 Cb -0.05 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.32 2hgi s VAL 109 CO -0.04 0.21 0.20 -0.62 0.00 0.00 0.00 175.10 174.86 2hgi s ASP 110 N -2.07 5.75 0.02 3.32 -1.08 -1.26 -1.67 116.67 119.68 2hgi s ASP 110 Ca 0.25 -0.72 0.00 0.00 -0.52 0.00 0.00 52.55 51.56 2hgi s ASP 110 Cb -0.12 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 2hgi s ASP 110 CO 0.17 -0.30 0.00 -0.67 0.52 0.00 0.00 175.17 174.89 2hgi n ASP 111 N 5.03 0.08 -3.83 -0.34 2.03 -1.18 -4.99 116.55 113.35 2hgi n ASP 111 Ca -0.13 0.03 -0.24 0.00 0.52 0.00 0.00 54.79 54.98 2hgi n ASP 111 Cb 0.48 -0.01 -0.00 0.00 -0.72 0.00 0.00 41.12 40.87 2hgi n ASP 111 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2hgi n THR 112 N -2.63 -1.21 -1.50 5.18 -1.04 0.18 -4.40 114.28 108.86 2hgi n THR 112 Ca 0.00 -0.30 -0.39 0.00 -2.04 0.00 0.00 64.05 61.31 2hgi n THR 112 Cb 0.00 -1.05 -0.15 0.00 -1.82 0.00 0.00 70.33 67.31 2hgi n THR 112 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2hgi n PRO 113 N -3.11 0.05 -2.96 -2.82 -0.04 -1.26 -4.64 135.00 120.23 2hgi n PRO 113 Ca -0.08 -0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.05 2hgi n PRO 113 Cb 0.31 -1.57 -0.06 0.00 -0.04 0.00 0.00 33.50 32.15 2hgi n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2hgi s VAL 114 N 8.57 4.63 0.00 0.52 0.11 -1.26 -5.04 120.40 127.92 2hgi s VAL 114 Ca 1.34 1.02 0.00 0.00 -2.93 0.00 0.00 61.98 61.41 2hgi s VAL 114 Cb -1.18 -3.64 0.00 0.00 -1.53 0.00 0.00 36.38 30.04 2hgi s VAL 114 CO 0.48 -0.31 0.00 -2.65 -3.33 0.00 0.00 175.10 169.29 2hgi n PRO 115 N -0.69 0.95 -0.00 1.54 -0.02 -1.26 -5.00 135.00 130.52 2hgi n PRO 115 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2hgi n PRO 115 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2hgi n PRO 115 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2hgi n HIS 116 N 0.00 0.00 -1.48 6.00 8.25 -1.26 -5.00 115.22 121.74 2hgi n HIS 116 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2hgi n HIS 116 Cb 0.00 0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.17 2hgi n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2hgi n ASN 117 N 0.00 -1.97 -0.03 0.41 3.02 -1.26 -5.04 115.26 110.39 2hgi n ASN 117 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.54 2hgi n ASN 117 Cb 0.00 -0.99 -0.08 0.00 -0.61 0.00 0.00 39.78 38.11 2hgi n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hgi n GLY 118 N -0.82 -0.46 3.62 7.41 0.00 -1.26 -5.04 105.19 108.64 2hgi n GLY 118 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 2hgi n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgi s ARG 120 N 0.85 2.65 0.00 0.00 0.52 -1.26 -5.03 118.95 116.68 2hgi s ARG 120 Ca -0.04 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.90 2hgi s ARG 120 Cb -0.05 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.52 2hgi s ARG 120 CO -0.07 -1.43 0.00 -0.35 0.02 0.00 0.00 175.30 173.47 2hgi n PRO 121 N -2.12 1.95 -3.22 3.54 -0.04 -1.26 -5.07 135.00 128.78 2hgi n PRO 121 Ca 0.13 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.38 2hgi n PRO 121 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 2hgi n PRO 121 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2hgi s LYS 122 N 1.35 3.10 0.03 0.54 1.02 -1.26 -4.73 119.74 119.78 2hgi s LYS 122 Ca 0.00 -0.71 -0.05 0.00 0.02 0.00 0.00 55.97 55.23 2hgi s LYS 122 Cb 0.00 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 2hgi s LYS 122 CO 0.00 -0.11 0.66 1.17 -0.92 0.00 0.00 175.35 176.15 2hgi n LYS 123 N -1.88 -0.07 -0.11 1.68 4.81 -1.26 -0.84 118.16 120.48 2hgi n LYS 123 Ca 0.00 0.66 -0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2hgi n LYS 123 Cb 0.58 -0.98 0.02 0.00 0.02 0.00 0.00 35.03 34.66 2hgi n LYS 123 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2hgi n LYS 124 N -3.19 -0.06 -0.70 1.64 4.81 -1.26 -0.14 118.16 119.26 2hgi n LYS 124 Ca 0.00 0.46 0.06 0.00 -0.87 0.00 0.00 58.31 57.96 2hgi n LYS 124 Cb 0.04 -0.68 0.19 0.00 0.02 0.00 0.00 35.03 34.60 2hgi n LYS 124 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 2hgi n PHE 125 N -4.44 0.02 -0.06 5.64 1.16 -0.02 -3.46 117.46 116.29 2hgi n PHE 125 Ca 0.03 -1.40 -0.04 0.00 -1.87 0.00 0.00 57.45 54.17 2hgi n PHE 125 Cb 0.12 -0.24 -0.15 0.00 -1.61 0.00 0.00 39.48 37.60 2hgi n PHE 125 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 2hgi n ARG 126 N -0.95 0.67 0.03 3.97 5.12 0.80 -3.13 116.66 123.17 2hgi n ARG 126 Ca 0.18 -0.03 0.07 0.00 -1.93 0.00 0.00 57.85 56.14 2hgi n ARG 126 Cb 0.74 -1.56 0.29 0.00 -1.16 0.00 0.00 32.46 30.77 2hgi n ARG 126 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2hgi n LYS 127 N -2.65 0.03 0.00 5.56 4.76 -0.29 -2.96 118.16 122.61 2hgi n LYS 127 Ca -0.23 0.34 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2hgi n LYS 127 Cb 0.98 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.59 2hgi n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hgi n ALA 128 N -1.55 0.00 -0.29 7.82 0.00 -1.18 -5.13 120.51 120.18 2hgi n ALA 128 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2hgi n ALA 128 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2hgi n ALA 128 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93