#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hia n ALA 48 N 0.00 1.94 0.49 2.33 0.00 -0.53 -4.90 120.51 119.84 3hia n ALA 48 Ca 0.00 0.37 0.10 0.00 0.00 0.00 0.00 53.44 53.91 3hia n ALA 48 Cb 0.00 -2.37 0.43 0.00 0.00 0.00 0.00 19.45 17.51 3hia n ALA 48 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hia n PRO 49 N 1.31 0.12 -3.77 0.00 -0.02 -1.26 -4.59 135.00 126.80 3hia n PRO 49 Ca 0.06 0.32 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 3hia n PRO 49 Cb 0.36 -1.71 -0.12 0.00 -0.02 0.00 0.00 33.50 32.01 3hia n PRO 49 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hia s THR 50 N -3.17 -0.01 0.16 3.45 -1.32 -1.26 -5.18 115.64 108.32 3hia s THR 50 Ca 0.06 0.03 -0.01 0.00 -1.21 0.00 0.00 61.69 60.56 3hia s THR 50 Cb 0.10 -0.39 -0.04 0.00 -1.51 0.00 0.00 72.50 70.66 3hia s THR 50 CO 0.37 0.01 0.09 0.42 -2.21 0.00 0.00 174.62 173.30 3hia s THR 51 N 0.38 0.05 0.00 5.08 -4.23 -1.26 -4.85 115.64 110.81 3hia s THR 51 Ca -0.02 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 3hia s THR 51 Cb -0.04 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3hia s THR 51 CO -0.02 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 3hia n GLY 52 N -0.18 0.46 3.70 3.99 0.00 0.73 -4.78 105.19 109.12 3hia n GLY 52 Ca -0.02 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3hia n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hia s TRP 53 N 0.00 3.42 -0.01 1.61 0.52 -1.26 0.72 118.94 123.94 3hia s TRP 53 Ca 0.00 1.40 0.00 0.00 0.02 0.00 0.00 56.10 57.53 3hia s TRP 53 Cb 0.00 -3.32 0.01 0.00 -1.15 0.00 0.00 33.47 29.01 3hia s TRP 53 CO 0.00 -0.87 -0.00 0.21 0.02 0.00 0.00 176.95 176.31 3hia s LYS 54 N 1.52 0.14 -0.18 4.98 2.20 0.40 -4.97 119.74 123.83 3hia s LYS 54 Ca 0.55 0.04 -0.08 0.00 -0.36 0.00 0.00 55.97 56.12 3hia s LYS 54 Cb -0.25 -0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 35.77 3hia s LYS 54 CO 0.25 -0.06 0.08 -1.14 -0.36 0.00 0.00 175.35 174.12 3hia s GLN 55 N 0.53 4.01 -0.02 4.03 0.74 -1.26 0.25 119.66 127.95 3hia s GLN 55 Ca -0.05 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.06 3hia s GLN 55 Cb -0.07 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.78 3hia s GLN 55 CO -0.01 0.29 -0.05 -1.21 -0.55 0.00 0.00 175.29 173.76 3hia s GLU 56 N 0.33 0.54 -1.53 1.67 2.02 0.12 -4.85 118.70 117.00 3hia s GLU 56 Ca 0.04 -0.16 -0.13 0.00 0.02 0.00 0.00 54.97 54.74 3hia s GLU 56 Cb -0.12 -0.54 0.08 0.00 0.10 0.00 0.00 34.13 33.65 3hia s GLU 56 CO -0.00 0.06 0.92 0.09 0.02 0.00 0.00 175.26 176.35 3hia n ASN 57 N 3.28 -4.20 -0.53 -0.19 3.02 -1.26 -0.70 115.26 114.67 3hia n ASN 57 Ca -0.17 -0.81 -0.07 0.00 -0.03 0.00 0.00 54.58 53.50 3hia n ASN 57 Cb 0.56 -3.76 -0.03 0.00 -0.61 0.00 0.00 39.78 35.93 3hia n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hia n GLY 58 N -1.66 0.85 3.16 7.41 0.00 -1.26 -5.01 105.19 108.69 3hia n GLY 58 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 3hia n GLY 58 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hia s MET 59 N -2.23 1.01 -0.03 1.61 -1.94 0.12 -5.12 119.30 112.72 3hia s MET 59 Ca 0.00 -0.80 -0.13 0.00 -1.71 0.00 0.00 55.69 53.06 3hia s MET 59 Cb 0.00 -1.04 -0.05 0.00 2.01 0.00 0.00 34.83 35.75 3hia s MET 59 CO 0.00 0.26 0.34 -1.58 -0.01 0.00 0.00 175.02 174.03 3hia s TRP 60 N -0.86 3.69 0.13 -0.03 0.52 -1.26 0.13 118.94 121.27 3hia s TRP 60 Ca 0.03 0.87 0.07 0.00 0.02 0.00 0.00 56.10 57.08 3hia s TRP 60 Cb -0.08 -2.19 -0.04 0.00 -1.15 0.00 0.00 33.47 30.01 3hia s TRP 60 CO 0.01 0.67 -0.15 0.71 0.02 0.00 0.00 176.95 178.21 3hia s TYR 61 N -1.08 1.51 -0.18 -1.98 1.51 0.14 -1.38 117.35 115.89 3hia s TYR 61 Ca 0.22 -0.54 -0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3hia s TYR 61 Cb -0.15 -0.78 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 3hia s TYR 61 CO 0.11 0.19 -0.13 0.12 -1.11 0.00 0.00 175.55 174.73 3hia s PHE 62 N -2.14 2.84 -0.20 2.71 5.36 -1.26 -0.46 117.98 124.84 3hia s PHE 62 Ca 0.11 -1.16 -0.08 0.00 -0.96 0.00 0.00 56.93 54.83 3hia s PHE 62 Cb -0.05 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.62 3hia s PHE 62 CO 0.04 -0.58 0.08 0.71 -1.46 0.00 0.00 175.22 174.01 3hia s TYR 63 N 1.15 3.25 0.57 10.12 1.51 0.22 -0.88 117.35 133.29 3hia s TYR 63 Ca 0.01 0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 56.03 3hia s TYR 63 Cb -0.14 -2.14 -0.04 0.00 -0.11 0.00 0.00 41.96 39.53 3hia s TYR 63 CO -0.05 0.09 0.95 -0.80 -1.11 0.00 0.00 175.55 174.63 3hia s ASN 64 N 0.64 6.25 0.51 2.29 0.01 0.47 -0.19 114.94 124.92 3hia s ASN 64 Ca 0.04 1.27 0.34 0.00 -0.71 0.00 0.00 52.86 53.81 3hia s ASN 64 Cb -0.13 -2.40 1.58 0.00 0.41 0.00 0.00 41.25 40.71 3hia s ASN 64 CO 0.01 -0.77 2.02 0.71 -1.51 0.00 0.00 177.10 177.56 3hia h THR 65 N -0.12 0.00 -0.39 1.60 1.35 -1.92 -0.83 112.91 112.61 3hia h THR 65 Ca -0.45 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3hia h THR 65 Cb 1.19 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3hia h THR 65 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 3hia n ASP 66 N -2.86 2.18 0.00 5.36 5.68 -1.26 -1.45 116.55 124.20 3hia n ASP 66 Ca -0.00 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 3hia n ASP 66 Cb 0.20 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 3hia n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hia n GLY 67 N 1.07 1.92 3.88 6.12 0.00 -0.32 -4.94 105.19 112.92 3hia n GLY 67 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3hia n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hia s SER 68 N -3.35 6.39 0.01 1.61 1.04 -1.26 -4.76 113.70 113.38 3hia s SER 68 Ca 0.00 1.25 -0.15 0.00 0.48 0.00 0.00 55.95 57.52 3hia s SER 68 Cb 0.00 -2.38 -0.06 0.00 0.10 0.00 0.00 66.02 63.68 3hia s SER 68 CO 0.00 -0.62 0.43 -0.04 0.98 0.00 0.00 173.24 173.99 3hia s MET 69 N -4.52 3.96 0.36 4.02 -1.94 -1.26 -0.39 119.30 119.52 3hia s MET 69 Ca 0.53 0.46 -0.26 0.00 -1.71 0.00 0.00 55.69 54.70 3hia s MET 69 Cb -0.10 -3.22 -0.09 0.00 2.01 0.00 0.00 34.83 33.42 3hia s MET 69 CO 0.42 0.68 1.12 0.00 -0.01 0.00 0.00 175.02 177.23 3hia s ALA 70 N -1.09 3.23 0.06 3.03 0.00 -0.06 -4.92 121.76 122.02 3hia s ALA 70 Ca 0.25 0.89 0.02 0.00 0.00 0.00 0.00 51.96 53.12 3hia s ALA 70 Cb -0.17 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3hia s ALA 70 CO 0.14 -0.34 -0.07 0.95 0.00 0.00 0.00 175.76 176.44 3hia s THR 71 N -1.38 0.58 0.00 0.00 -4.23 -1.26 -4.52 115.64 104.83 3hia s THR 71 Ca 0.53 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 3hia s THR 71 Cb -0.29 -0.93 0.00 0.00 1.34 0.00 0.00 72.50 72.62 3hia s THR 71 CO 0.37 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 3hia n GLY 72 N 1.02 -0.61 3.74 3.99 0.00 0.91 -4.90 105.19 109.33 3hia n GLY 72 Ca -0.20 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 3hia n GLY 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hia s TRP 73 N 0.00 3.34 -0.10 1.61 0.52 -1.26 -0.58 118.94 122.47 3hia s TRP 73 Ca 0.00 1.32 0.02 0.00 0.02 0.00 0.00 56.10 57.46 3hia s TRP 73 Cb 0.00 -3.51 0.01 0.00 -1.15 0.00 0.00 33.47 28.82 3hia s TRP 73 CO 0.00 -1.53 -0.15 0.08 0.02 0.00 0.00 176.95 175.37 3hia s VAL 74 N 0.07 1.45 -0.20 4.03 1.01 0.22 -4.96 120.40 122.02 3hia s VAL 74 Ca 0.55 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.86 3hia s VAL 74 Cb -0.34 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3hia s VAL 74 CO 0.37 0.43 -0.03 -1.58 0.00 0.00 0.00 175.10 174.29 3hia s GLN 75 N 0.87 3.51 -0.14 2.72 0.74 -1.26 0.28 119.66 126.38 3hia s GLN 75 Ca -0.09 -0.57 -0.09 0.00 0.05 0.00 0.00 55.36 54.65 3hia s GLN 75 Cb -0.15 -2.99 0.05 0.00 1.10 0.00 0.00 33.01 31.01 3hia s GLN 75 CO 0.01 -0.02 0.35 0.54 -0.55 0.00 0.00 175.29 175.61 3hia s VAL 76 N 1.05 -0.02 -1.60 1.34 0.11 -0.30 -4.93 120.40 116.05 3hia s VAL 76 Ca 0.01 0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.09 3hia s VAL 76 Cb -0.15 -0.51 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 3hia s VAL 76 CO 0.01 0.03 0.49 -3.20 -3.33 0.00 0.00 175.10 169.09 3hia n ASN 77 N 3.71 -6.09 0.00 3.54 5.15 -1.26 -2.34 115.26 117.96 3hia n ASN 77 Ca -0.20 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 3hia n ASN 77 Cb 0.56 -4.94 0.00 0.00 -0.53 0.00 0.00 39.78 34.86 3hia n ASN 77 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hia n GLY 78 N -1.43 1.11 3.32 8.20 0.00 -1.26 -5.04 105.19 110.09 3hia n GLY 78 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 3hia n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hia s SER 79 N -3.01 3.04 0.07 1.61 0.01 -0.99 -5.12 113.70 109.31 3hia s SER 79 Ca 0.00 -0.51 -0.11 0.00 1.31 0.00 0.00 55.95 56.64 3hia s SER 79 Cb 0.00 -0.31 -0.06 0.00 0.21 0.00 0.00 66.02 65.86 3hia s SER 79 CO 0.00 0.29 0.41 0.26 0.41 0.00 0.00 173.24 174.60 3hia s TRP 80 N -0.68 3.60 0.10 2.43 0.52 -1.26 -1.15 118.94 122.49 3hia s TRP 80 Ca 0.10 0.82 0.02 0.00 0.02 0.00 0.00 56.10 57.06 3hia s TRP 80 Cb -0.10 -2.18 -0.04 0.00 -1.15 0.00 0.00 33.47 30.00 3hia s TRP 80 CO 0.00 0.53 -0.06 0.71 0.02 0.00 0.00 176.95 178.15 3hia s TYR 81 N -1.36 0.87 -0.08 -1.98 1.51 0.14 -0.78 117.35 115.67 3hia s TYR 81 Ca 0.32 -0.92 0.03 0.00 -1.01 0.00 0.00 57.07 55.49 3hia s TYR 81 Cb -0.14 -0.51 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 3hia s TYR 81 CO 0.17 -0.16 -0.16 -0.47 -1.11 0.00 0.00 175.55 173.82 3hia s TYR 82 N -3.63 1.88 -0.14 2.71 5.04 -1.26 -0.61 117.35 121.34 3hia s TYR 82 Ca 0.12 -0.75 -0.01 0.00 -2.44 0.00 0.00 57.07 53.98 3hia s TYR 82 Cb 0.05 -1.32 -0.02 0.00 0.35 0.00 0.00 41.96 41.03 3hia s TYR 82 CO -0.05 -0.35 -0.11 -0.51 -1.34 0.00 0.00 175.55 173.19 3hia s LEU 83 N 0.60 2.80 1.12 6.97 1.02 0.25 -1.20 118.68 130.24 3hia s LEU 83 Ca -0.15 -0.31 -0.18 0.00 0.02 0.00 0.00 54.13 53.51 3hia s LEU 83 Cb -0.16 -1.64 0.25 0.00 0.02 0.00 0.00 46.19 44.65 3hia s LEU 83 CO 0.05 0.15 1.15 0.20 0.02 0.00 0.00 176.35 177.91 3hia s ASN 84 N 0.47 1.61 0.47 2.29 0.01 0.75 -0.07 114.94 120.48 3hia s ASN 84 Ca -0.08 0.64 0.18 0.00 -0.71 0.00 0.00 52.86 52.89 3hia s ASN 84 Cb -0.15 -0.91 1.17 0.00 0.41 0.00 0.00 41.25 41.77 3hia s ASN 84 CO 0.04 -3.70 1.97 0.28 -1.51 0.00 0.00 177.10 174.18 3hia h SER 85 N -2.29 0.24 -0.41 -1.22 0.02 -1.97 0.12 113.55 108.04 3hia h SER 85 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3hia h SER 85 Cb 1.29 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3hia h SER 85 CO 0.39 0.13 0.00 -0.46 -1.14 0.00 0.00 176.83 175.75 3hia n ASN 86 N -4.44 2.74 0.00 3.07 0.23 -1.26 -4.92 115.26 110.67 3hia n ASN 86 Ca 0.11 -1.93 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 3hia n ASN 86 Cb 0.50 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 3hia n ASN 86 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hia n GLY 87 N 1.34 0.71 3.80 4.83 0.00 0.43 -5.04 105.19 111.25 3hia n GLY 87 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3hia n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hia s SER 88 N -2.93 7.20 0.04 1.61 1.04 -1.26 -4.19 113.70 115.21 3hia s SER 88 Ca 0.00 1.75 -0.18 0.00 0.48 0.00 0.00 55.95 58.00 3hia s SER 88 Cb 0.00 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 3hia s SER 88 CO 0.00 -0.14 0.53 -0.32 0.98 0.00 0.00 173.24 174.29 3hia s MET 89 N -2.38 4.15 0.39 4.02 1.75 -0.48 -0.18 119.30 126.58 3hia s MET 89 Ca 0.53 0.64 -0.23 0.00 -1.25 0.00 0.00 55.69 55.38 3hia s MET 89 Cb -0.16 -3.26 -0.10 0.00 2.84 0.00 0.00 34.83 34.16 3hia s MET 89 CO 0.20 0.60 0.96 0.15 -0.65 0.00 0.00 175.02 176.28 3hia s LYS 90 N -0.91 4.35 -0.17 4.11 1.02 -0.34 -4.74 119.74 123.06 3hia s LYS 90 Ca 0.28 1.26 -0.11 0.00 0.02 0.00 0.00 55.97 57.42 3hia s LYS 90 Cb -0.18 -2.47 0.05 0.00 -0.52 0.00 0.00 37.83 34.71 3hia s LYS 90 CO 0.17 0.07 0.41 0.54 -0.92 0.00 0.00 175.35 175.62 3hia s VAL 91 N -1.88 -0.02 -0.97 3.17 0.11 -1.26 -4.24 120.40 115.31 3hia s VAL 91 Ca 0.57 0.07 -0.10 0.00 -2.93 0.00 0.00 61.98 59.58 3hia s VAL 91 Cb -0.15 -0.60 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3hia s VAL 91 CO 0.19 0.03 0.74 -3.20 -3.33 0.00 0.00 175.10 169.53 3hia n ASN 92 N 3.87 -5.94 -3.60 3.54 5.15 0.45 -4.90 115.26 113.82 3hia n ASN 92 Ca -0.20 -0.75 -0.03 0.00 -0.60 0.00 0.00 54.58 52.99 3hia n ASN 92 Cb 0.56 -3.60 -0.02 0.00 -0.53 0.00 0.00 39.78 36.19 3hia n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hia s GLN 93 N -4.92 0.42 -0.09 1.20 -2.07 -0.63 -4.96 119.66 108.61 3hia s GLN 93 Ca 0.25 -0.18 -0.06 0.00 -1.82 0.00 0.00 55.36 53.55 3hia s GLN 93 Cb -0.09 0.18 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 3hia s GLN 93 CO 0.83 -0.19 0.15 -1.58 -1.32 0.00 0.00 175.29 173.19 3hia s TRP 94 N -2.53 3.58 0.16 9.60 0.52 -1.26 -1.83 118.94 127.18 3hia s TRP 94 Ca 0.10 0.48 -0.11 0.00 0.02 0.00 0.00 56.10 56.59 3hia s TRP 94 Cb 0.00 -1.91 0.00 0.00 -1.15 0.00 0.00 33.47 30.42 3hia s TRP 94 CO -0.05 0.71 0.33 -0.59 0.02 0.00 0.00 176.95 177.38 3hia s PHE 95 N -1.11 0.21 -0.08 -1.98 -0.71 -0.13 -5.00 117.98 109.19 3hia s PHE 95 Ca 0.18 -0.58 0.04 0.00 -1.04 0.00 0.00 56.93 55.54 3hia s PHE 95 Cb -0.12 0.06 0.00 0.00 -1.21 0.00 0.00 43.02 41.75 3hia s PHE 95 CO 0.08 -0.74 -0.21 -1.14 -1.34 0.00 0.00 175.22 171.87 3hia s GLN 96 N -3.92 2.52 -0.06 1.99 0.74 -1.26 -0.67 119.66 119.00 3hia s GLN 96 Ca 0.13 -0.75 -0.01 0.00 0.05 0.00 0.00 55.36 54.77 3hia s GLN 96 Cb 0.02 -2.00 0.03 0.00 1.10 0.00 0.00 33.01 32.17 3hia s GLN 96 CO -0.03 0.19 0.00 0.08 -0.55 0.00 0.00 175.29 174.99 3hia s VAL 97 N 0.27 0.32 -1.29 1.34 1.01 -0.77 -4.85 120.40 116.43 3hia s VAL 97 Ca -0.13 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 3hia s VAL 97 Cb -0.16 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3hia s VAL 97 CO 0.06 0.24 0.64 0.61 0.00 0.00 0.00 175.10 176.65 3hia n GLY 98 N 4.95 -0.34 2.67 4.51 0.00 -1.26 -2.07 105.19 113.65 3hia n GLY 98 Ca -0.10 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3hia n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hia n GLY 99 N -1.51 3.10 3.86 -0.02 0.00 -1.26 -5.01 105.19 104.35 3hia n GLY 99 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3hia n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hia s LYS 100 N -0.29 3.76 -0.03 1.61 1.02 -0.88 -5.04 119.74 119.90 3hia s LYS 100 Ca 0.00 0.20 -0.18 0.00 0.02 0.00 0.00 55.97 56.02 3hia s LYS 100 Cb 0.00 -3.13 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 3hia s LYS 100 CO 0.00 0.66 0.49 -1.58 -0.92 0.00 0.00 175.35 174.00 3hia s TRP 101 N -1.20 3.66 0.10 3.18 0.52 -1.26 -1.85 118.94 122.09 3hia s TRP 101 Ca 0.26 1.05 0.05 0.00 0.02 0.00 0.00 56.10 57.48 3hia s TRP 101 Cb -0.15 -2.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.67 3hia s TRP 101 CO 0.14 0.43 -0.13 0.71 0.02 0.00 0.00 176.95 178.12 3hia s TYR 102 N -0.37 1.25 -0.07 -1.98 1.51 0.16 -1.08 117.35 116.76 3hia s TYR 102 Ca 0.27 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 55.76 3hia s TYR 102 Cb -0.17 -0.67 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 3hia s TYR 102 CO 0.14 0.08 -0.07 -0.47 -1.11 0.00 0.00 175.55 174.12 3hia s TYR 103 N -2.09 1.17 0.05 2.71 6.14 -1.26 -0.96 117.35 123.11 3hia s TYR 103 Ca 0.06 -0.45 0.04 0.00 0.64 0.00 0.00 57.07 57.35 3hia s TYR 103 Cb -0.05 -0.97 -0.04 0.00 0.42 0.00 0.00 41.96 41.32 3hia s TYR 103 CO 0.02 -0.32 -0.01 0.14 0.64 0.00 0.00 175.55 176.01 3hia s VAL 104 N 1.18 3.98 0.00 3.14 -7.23 -0.76 -0.19 120.40 120.51 3hia s VAL 104 Ca -0.06 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 3hia s VAL 104 Cb -0.14 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.97 3hia s VAL 104 CO -0.02 0.24 0.00 -0.46 -0.31 0.00 0.00 175.10 174.56 3hia n ASN 105 N 0.99 0.00 0.14 4.85 0.23 -0.61 -1.60 115.26 119.25 3hia n ASN 105 Ca -0.13 -0.98 0.12 0.00 -0.53 0.00 0.00 54.58 53.06 3hia n ASN 105 Cb 0.52 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.74 3hia n ASN 105 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3hia n THR 106 N -1.42 0.87 0.15 5.53 -2.24 -1.26 -0.41 114.28 115.50 3hia n THR 106 Ca 0.00 0.35 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 3hia n THR 106 Cb 0.00 -1.30 0.27 0.00 -2.10 0.00 0.00 70.33 67.19 3hia n THR 106 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hia n SER 107 N -2.26 3.21 0.00 3.42 7.64 -1.26 -4.75 113.62 119.62 3hia n SER 107 Ca 0.01 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.91 3hia n SER 107 Cb 0.18 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3hia n SER 107 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hia n GLY 108 N 1.46 1.32 3.72 0.23 0.00 -0.04 -4.98 105.19 106.89 3hia n GLY 108 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3hia n GLY 108 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hia s GLU 109 N -0.16 4.52 0.08 1.61 -1.05 -1.26 -4.35 118.70 118.09 3hia s GLU 109 Ca 0.00 1.22 -0.31 0.00 -0.15 0.00 0.00 54.97 55.73 3hia s GLU 109 Cb 0.00 -3.44 -0.07 0.00 -0.44 0.00 0.00 34.13 30.18 3hia s GLU 109 CO 0.00 0.03 1.39 -1.17 0.95 0.00 0.00 175.26 176.46 3hia s LEU 110 N 0.80 4.36 0.12 1.83 2.96 0.04 -1.58 118.68 127.20 3hia s LEU 110 Ca 0.46 2.25 -0.31 0.00 -0.22 0.00 0.00 54.13 56.31 3hia s LEU 110 Cb -0.20 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.82 3hia s LEU 110 CO 0.24 -0.66 1.68 0.00 -1.32 0.00 0.00 176.35 176.29 3hia s ALA 111 N 1.51 3.74 0.02 5.97 0.00 0.73 -4.76 121.76 128.97 3hia s ALA 111 Ca 0.64 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.95 3hia s ALA 111 Cb -0.35 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.06 3hia s ALA 111 CO 0.29 -1.04 -0.06 0.14 0.00 0.00 0.00 175.76 175.10 3hia s VAL 112 N 2.18 0.38 -1.30 0.00 -7.23 -1.26 -4.05 120.40 109.12 3hia s VAL 112 Ca 0.75 -0.78 -0.08 0.00 -1.81 0.00 0.00 61.98 60.06 3hia s VAL 112 Cb -0.43 -0.43 -0.00 0.00 0.56 0.00 0.00 36.38 36.07 3hia s VAL 112 CO 0.33 -0.27 0.59 0.59 -0.31 0.00 0.00 175.10 176.03 3hia n ASN 113 N 1.92 -2.20 -1.90 4.85 3.02 0.17 -4.91 115.26 116.21 3hia n ASN 113 Ca -0.20 -0.99 -0.03 0.00 -0.03 0.00 0.00 54.58 53.33 3hia n ASN 113 Cb 0.56 -3.30 0.01 0.00 -0.61 0.00 0.00 39.78 36.44 3hia n ASN 113 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 3hia n THR 114 N -4.31 0.00 -5.08 3.41 5.66 -1.10 -5.01 114.28 107.85 3hia n THR 114 Ca -0.23 -0.40 -0.29 0.00 -3.05 0.00 0.00 64.05 60.08 3hia n THR 114 Cb 0.65 0.43 -0.16 0.00 -1.55 0.00 0.00 70.33 69.69 3hia n THR 114 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3hia s SER 115 N -2.01 2.69 -0.23 1.09 0.15 -1.26 -0.77 113.70 113.36 3hia s SER 115 Ca 0.08 -0.45 0.02 0.00 0.70 0.00 0.00 55.95 56.30 3hia s SER 115 Cb -0.02 -0.83 0.05 0.00 -1.71 0.00 0.00 66.02 63.51 3hia s SER 115 CO 0.05 0.19 -0.10 -0.63 1.20 0.00 0.00 173.24 173.95 3hia s ILE 116 N 0.01 1.84 -1.34 6.45 -1.09 0.14 -4.69 121.20 122.52 3hia s ILE 116 Ca -0.06 -1.29 -0.09 0.00 -2.23 0.00 0.00 60.65 56.98 3hia s ILE 116 Cb -0.14 -1.95 0.06 0.00 -1.58 0.00 0.00 42.46 38.86 3hia s ILE 116 CO 0.04 0.06 0.53 0.47 -1.23 0.00 0.00 174.94 174.80 3hia n ASP 117 N 4.58 -4.13 0.00 3.58 8.00 -1.26 0.18 116.55 127.50 3hia n ASP 117 Ca -0.14 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 54.97 3hia n ASP 117 Cb 0.45 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 3hia n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hia n GLY 118 N -1.25 1.25 3.64 0.44 0.00 -1.26 -5.03 105.19 102.98 3hia n GLY 118 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3hia n GLY 118 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hia s TYR 119 N -3.22 3.32 -0.20 1.61 2.02 0.13 -5.04 117.35 115.97 3hia s TYR 119 Ca 0.00 0.99 -0.23 0.00 -0.37 0.00 0.00 57.07 57.47 3hia s TYR 119 Cb 0.00 -2.93 -0.02 0.00 -0.40 0.00 0.00 41.96 38.61 3hia s TYR 119 CO 0.00 -0.33 0.72 0.50 -1.57 0.00 0.00 175.55 174.87 3hia s ARG 120 N 2.53 4.23 -0.13 -0.62 3.52 -1.26 0.26 118.95 127.48 3hia s ARG 120 Ca 0.31 0.78 -0.03 0.00 -0.13 0.00 0.00 55.73 56.66 3hia s ARG 120 Cb -0.16 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.62 3hia s ARG 120 CO 0.09 -0.31 -0.03 0.14 -0.81 0.00 0.00 175.30 174.38 3hia s VAL 121 N 2.14 4.02 0.83 7.11 -7.23 0.05 -0.47 120.40 126.84 3hia s VAL 121 Ca 0.32 -0.33 -0.20 0.00 -1.81 0.00 0.00 61.98 59.97 3hia s VAL 121 Cb -0.16 -2.74 -0.14 0.00 0.56 0.00 0.00 36.38 33.90 3hia s VAL 121 CO 0.10 0.53 -1.11 0.59 -0.31 0.00 0.00 175.10 174.90 3hia n ASN 122 N 3.09 -2.61 0.25 4.85 3.02 0.61 -2.21 115.26 122.26 3hia n ASN 122 Ca -0.18 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.49 3hia n ASN 122 Cb 0.53 -0.48 0.65 0.00 -0.61 0.00 0.00 39.78 39.87 3hia n ASN 122 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3hia h ASP 123 N -1.20 0.00 -0.69 6.41 3.04 -1.93 0.49 116.42 122.54 3hia h ASP 123 Ca -0.28 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.03 3hia h ASP 123 Cb 0.99 0.00 -0.32 0.00 -1.04 0.00 0.00 39.33 38.96 3hia h ASP 123 CO 0.15 0.15 -0.34 -0.46 -2.04 0.00 0.00 179.24 176.70 3hia n ASN 124 N -3.57 4.86 0.00 4.15 0.23 -1.26 -4.77 115.26 114.90 3hia n ASN 124 Ca -0.01 -3.78 0.00 0.00 -0.53 0.00 0.00 54.58 50.26 3hia n ASN 124 Cb 0.29 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 3hia n ASN 124 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hia n GLY 125 N -0.85 0.37 3.73 4.83 0.00 -1.01 -4.98 105.19 107.28 3hia n GLY 125 Ca 0.44 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 3hia n GLY 125 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hia s GLU 126 N -0.76 4.60 -0.02 1.61 2.12 -1.26 -4.24 118.70 120.76 3hia s GLU 126 Ca 0.00 1.66 -0.30 0.00 0.36 0.00 0.00 54.97 56.68 3hia s GLU 126 Cb 0.00 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.03 3hia s GLU 126 CO 0.00 0.08 1.46 -0.46 -0.54 0.00 0.00 175.26 175.80 3hia s TRP 127 N -0.06 2.66 0.29 5.30 -0.00 -0.25 -0.29 118.94 126.60 3hia s TRP 127 Ca 0.50 0.68 0.03 0.00 -0.00 0.00 0.00 56.10 57.31 3hia s TRP 127 Cb -0.28 -3.72 -0.03 0.00 -0.00 0.00 0.00 33.47 29.44 3hia s TRP 127 CO 0.33 -2.77 0.27 0.14 -0.00 0.00 0.00 176.95 174.92 3hia s VAL 128 N 2.79 0.00 0.00 5.86 -7.23 0.38 -4.76 120.40 117.43 3hia s VAL 128 Ca 0.66 -1.93 0.00 0.00 -1.81 0.00 0.00 61.98 58.90 3hia s VAL 128 Cb -0.32 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.11 3hia s VAL 128 CO 0.27 0.00 0.00 0.54 -0.31 0.00 0.00 175.10 175.60