#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7b s GLU 2 N 0.00 4.36 0.72 1.97 2.12 -1.26 -5.02 118.70 121.59 3d7b s GLU 2 Ca 0.00 1.94 -0.11 0.00 0.36 0.00 0.00 54.97 57.16 3d7b s GLU 2 Cb 0.00 -3.31 0.03 0.00 0.26 0.00 0.00 34.13 31.10 3d7b s GLU 2 CO 0.00 -0.37 1.08 0.95 -0.54 0.00 0.00 175.26 176.37 3d7b s THR 3 N 1.19 3.64 0.22 -1.70 -4.23 -1.26 -4.85 115.64 108.66 3d7b s THR 3 Ca 0.62 0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 61.61 3d7b s THR 3 Cb -0.33 -3.16 0.18 0.00 1.34 0.00 0.00 72.50 70.53 3d7b s THR 3 CO 0.29 -0.67 1.85 0.00 -0.54 0.00 0.00 174.62 175.56 3d7b h ALA 4 N -0.77 1.07 -0.66 3.99 0.00 -1.95 0.55 119.26 121.48 3d7b h ALA 4 Ca -0.44 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3d7b h ALA 4 Cb 1.22 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3d7b h ALA 4 CO 0.54 0.55 0.43 0.00 0.00 0.00 0.00 179.25 180.77 3d7b h ALA 5 N 1.26 0.84 -0.36 0.00 0.00 -1.86 -0.05 119.26 119.08 3d7b h ALA 5 Ca 0.30 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3d7b h ALA 5 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3d7b h ALA 5 CO -0.05 0.28 -0.33 0.00 0.00 0.00 0.00 179.25 179.15 3d7b h ALA 6 N 1.23 0.73 -0.76 0.00 0.00 -1.79 -2.12 119.26 116.55 3d7b h ALA 6 Ca 0.24 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3d7b h ALA 6 Cb -0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3d7b h ALA 6 CO -0.05 0.66 0.39 -0.22 0.00 0.00 0.00 179.25 180.03 3d7b h LYS 7 N 0.68 1.09 -0.65 0.00 3.64 -0.59 -0.99 116.57 119.75 3d7b h LYS 7 Ca 0.07 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.34 3d7b h LYS 7 Cb 0.88 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 3d7b h LYS 7 CO 0.08 0.83 0.39 0.35 -2.27 0.00 0.00 179.45 178.83 3d7b h PHE 8 N 1.07 0.73 -0.67 1.91 3.57 -0.70 0.05 116.94 122.91 3d7b h PHE 8 Ca 0.27 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 3d7b h PHE 8 Cb 0.09 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3d7b h PHE 8 CO 0.01 0.41 0.09 0.93 -2.23 0.00 0.00 178.31 177.52 3d7b h GLU 9 N 0.76 1.12 -0.43 1.11 5.08 -0.95 0.11 114.58 121.37 3d7b h GLU 9 Ca 0.26 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3d7b h GLU 9 Cb 0.05 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3d7b h GLU 9 CO -0.12 1.03 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.80 3d7b h ARG 10 N 1.04 0.77 0.00 2.33 2.43 -0.68 -2.23 114.38 118.04 3d7b h ARG 10 Ca 0.20 -0.26 -0.18 0.00 -0.81 0.00 0.00 59.98 58.93 3d7b h ARG 10 Cb 0.46 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3d7b h ARG 10 CO 0.02 0.86 -1.04 1.96 -1.51 0.00 0.00 179.97 180.26 3d7b h GLN 11 N 0.61 0.00 0.00 0.20 4.20 -0.87 -3.42 115.11 115.83 3d7b h GLN 11 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3d7b h GLN 11 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3d7b h GLN 11 CO 0.03 0.63 -0.10 0.72 -0.67 0.00 0.00 178.83 179.44 3d7b n HIS 12 N -3.18 0.00 -3.71 2.96 8.25 0.35 -4.66 115.22 115.23 3d7b n HIS 12 Ca -0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.06 3d7b n HIS 12 Cb 0.88 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.88 3d7b n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3d7b s MET 13 N -0.69 3.97 -0.41 -0.41 -1.94 -0.84 0.46 119.30 119.43 3d7b s MET 13 Ca 0.00 -0.32 0.03 0.00 -1.71 0.00 0.00 55.69 53.69 3d7b s MET 13 Cb 0.00 -3.48 0.16 0.00 2.01 0.00 0.00 34.83 33.52 3d7b s MET 13 CO 0.00 0.01 0.32 0.34 -0.01 0.00 0.00 175.02 175.68 3d7b s ASP 14 N 1.18 1.83 0.00 3.03 2.15 -0.50 -4.84 116.67 119.52 3d7b s ASP 14 Ca 0.07 -2.93 0.29 0.00 0.43 0.00 0.00 52.55 50.40 3d7b s ASP 14 Cb -0.14 -0.47 1.70 0.00 -0.30 0.00 0.00 42.92 43.71 3d7b s ASP 14 CO 0.05 -0.19 2.04 -1.20 -0.17 0.00 0.00 175.17 175.70 3d7b n SER 15 N 3.04 0.00 -0.01 -0.34 7.64 -1.26 -4.09 113.62 118.61 3d7b n SER 15 Ca 0.26 -0.90 -0.13 0.00 1.01 0.00 0.00 58.87 59.12 3d7b n SER 15 Cb 0.45 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.55 3d7b n SER 15 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3d7b h SER 16 N 0.00 -0.03 -3.70 6.43 4.64 -1.92 -3.46 113.55 115.52 3d7b h SER 16 Ca 0.00 -0.50 -0.67 0.00 -0.47 0.00 0.00 61.79 60.15 3d7b h SER 16 Cb 0.00 0.01 -0.18 0.00 -0.31 0.00 0.00 62.40 61.92 3d7b h SER 16 CO 0.00 0.50 -0.76 -0.89 -0.87 0.00 0.00 176.83 174.80 3d7b s THR 17 N -4.08 3.15 -0.17 2.95 2.01 -1.26 -5.03 115.64 113.22 3d7b s THR 17 Ca -0.16 -1.23 0.29 0.00 0.31 0.00 0.00 61.69 60.90 3d7b s THR 17 Cb 0.01 -2.42 0.35 0.00 0.01 0.00 0.00 72.50 70.45 3d7b s THR 17 CO 0.66 0.20 1.85 0.77 -0.69 0.00 0.00 174.62 177.41 3d7b h SER 18 N 3.99 0.00 -5.02 3.53 4.64 -1.87 -3.44 113.55 115.38 3d7b h SER 18 Ca -0.49 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.92 3d7b h SER 18 Cb 1.16 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.16 3d7b h SER 18 CO 0.50 0.00 0.34 0.00 -0.87 0.00 0.00 176.83 176.80 3d7b s ALA 19 N -3.48 -1.55 0.00 5.18 0.00 -1.26 -4.84 121.76 115.81 3d7b s ALA 19 Ca 0.03 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 3d7b s ALA 19 Cb 0.09 0.72 -0.07 0.00 0.00 0.00 0.00 23.12 23.86 3d7b s ALA 19 CO 0.53 -0.90 1.66 0.00 0.00 0.00 0.00 175.76 177.05 3d7b s ALA 20 N -3.55 3.64 -0.06 0.00 0.00 -1.26 -4.93 121.76 115.60 3d7b s ALA 20 Ca 0.08 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.85 3d7b s ALA 20 Cb -0.03 -3.72 -0.23 0.00 0.00 0.00 0.00 23.12 19.14 3d7b s ALA 20 CO -0.02 -1.26 1.04 0.77 0.00 0.00 0.00 175.76 176.28 3d7b h SER 21 N 9.04 0.16 -4.45 0.00 0.02 -1.99 -3.48 113.55 112.85 3d7b h SER 21 Ca -0.41 -0.75 -0.48 0.00 -0.84 0.00 0.00 61.79 59.31 3d7b h SER 21 Cb 1.19 -0.05 -0.13 0.00 0.14 0.00 0.00 62.40 63.55 3d7b h SER 21 CO 0.94 0.89 -0.53 -0.94 -1.14 0.00 0.00 176.83 176.05 3d7b s SER 22 N -6.20 1.99 0.42 3.07 1.04 -1.26 -5.03 113.70 107.73 3d7b s SER 22 Ca -0.16 -1.64 0.30 0.00 0.48 0.00 0.00 55.95 54.92 3d7b s SER 22 Cb 0.01 0.46 1.30 0.00 0.10 0.00 0.00 66.02 67.89 3d7b s SER 22 CO 0.72 -0.94 1.88 0.77 0.98 0.00 0.00 173.24 176.66 3d7b h SER 23 N 2.06 0.00 -0.09 7.02 4.64 -1.93 -2.84 113.55 122.40 3d7b h SER 23 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3d7b h SER 23 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3d7b h SER 23 CO 0.50 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.26 3d7b n ASN 24 N -2.66 2.14 -0.15 4.97 5.15 -1.26 -4.26 115.26 119.19 3d7b n ASN 24 Ca 0.01 -1.73 -0.05 0.00 -0.60 0.00 0.00 54.58 52.21 3d7b n ASN 24 Cb 0.22 -0.05 0.02 0.00 -0.53 0.00 0.00 39.78 39.44 3d7b n ASN 24 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3d7b h TYR 25 N 3.17 -0.63 -0.40 1.20 3.20 -1.90 -2.08 116.97 119.52 3d7b h TYR 25 Ca 0.00 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3d7b h TYR 25 Cb 0.68 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 3d7b h TYR 25 CO 0.05 -0.32 0.06 0.00 -1.64 0.00 0.00 178.16 176.31 3d7b h ASN 27 N 0.51 0.09 -0.23 0.00 2.35 -1.76 0.18 115.58 116.73 3d7b h ASN 27 Ca 0.12 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 3d7b h ASN 27 Cb 0.38 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3d7b h ASN 27 CO 0.01 0.07 -0.04 -0.61 -1.65 0.00 0.00 177.43 175.21 3d7b h GLN 28 N 0.31 0.43 -0.23 0.81 -0.00 -1.11 -3.03 115.11 112.29 3d7b h GLN 28 Ca 0.28 -0.16 -0.17 0.00 -0.00 0.00 0.00 58.65 58.61 3d7b h GLN 28 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 27.83 3d7b h GLN 28 CO -0.33 0.65 -0.51 0.52 0.00 0.00 0.00 178.83 179.16 3d7b h MET 29 N 0.18 0.74 -0.56 1.69 2.86 -0.30 -2.00 114.93 117.54 3d7b h MET 29 Ca 0.06 -0.50 -0.03 0.00 -2.06 0.00 0.00 59.70 57.17 3d7b h MET 29 Cb 0.48 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 3d7b h MET 29 CO 0.02 1.12 0.21 0.52 1.06 0.00 0.00 176.91 179.84 3d7b h MET 30 N 0.47 0.82 0.31 1.72 2.86 -0.74 -1.90 114.93 118.47 3d7b h MET 30 Ca 0.00 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3d7b h MET 30 Cb 1.12 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.64 3d7b h MET 30 CO 0.11 0.68 -0.15 -0.22 1.06 0.00 0.00 176.91 178.40 3d7b h LYS 31 N 0.80 -0.40 0.00 1.72 3.64 -1.47 0.59 116.57 121.45 3d7b h LYS 31 Ca 0.19 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3d7b h LYS 31 Cb 0.18 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3d7b h LYS 31 CO -0.02 -0.12 0.00 0.66 -2.27 0.00 0.00 179.45 177.70 3d7b h SER 32 N -0.65 0.00 -0.66 4.20 4.64 -1.14 -1.73 113.55 118.20 3d7b h SER 32 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3d7b h SER 32 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3d7b h SER 32 CO 0.07 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.57 3d7b n ARG 33 N -3.03 3.54 -2.45 4.77 5.12 -0.73 -4.95 116.66 118.92 3d7b n ARG 33 Ca -0.01 -2.85 -0.17 0.00 -1.93 0.00 0.00 57.85 52.89 3d7b n ARG 33 Cb 0.21 -1.83 0.00 0.00 -1.16 0.00 0.00 32.46 29.68 3d7b n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3d7b n ASN 34 N 1.21 -5.12 -1.30 0.55 3.02 -0.65 -4.85 115.26 108.12 3d7b n ASN 34 Ca 0.25 -0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.86 3d7b n ASN 34 Cb 0.84 -4.15 0.29 0.00 -0.61 0.00 0.00 39.78 36.15 3d7b n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3d7b n LEU 35 N -2.66 3.83 -0.17 3.41 4.77 0.19 -3.99 117.00 122.38 3d7b n LEU 35 Ca -0.18 -1.86 0.05 0.00 -0.03 0.00 0.00 56.01 53.99 3d7b n LEU 35 Cb 0.64 -0.42 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3d7b n LEU 35 CO 0.27 0.92 0.44 0.35 -1.33 0.00 0.00 177.39 178.04 3d7b n THR 36 N 1.62 1.04 0.32 -5.08 -2.24 -1.18 -1.78 114.28 106.96 3d7b n THR 36 Ca 0.23 -1.21 -0.13 0.00 -2.27 0.00 0.00 64.05 60.67 3d7b n THR 36 Cb 0.62 0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 3d7b n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3d7b h LYS 37 N 0.00 -0.80 0.00 -0.78 3.11 -1.89 -3.39 116.57 112.81 3d7b h LYS 37 Ca 0.00 0.05 -0.18 0.00 -2.81 0.00 0.00 60.65 57.71 3d7b h LYS 37 Cb 1.03 0.18 -0.03 0.00 -1.00 0.00 0.00 32.23 32.41 3d7b h LYS 37 CO 0.00 -0.53 -1.96 -0.25 -2.81 0.00 0.00 179.45 173.90 3d7b n ASP 38 N -4.80 1.18 -3.89 4.20 8.00 -1.26 -5.02 116.55 114.96 3d7b n ASP 38 Ca -0.10 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.30 3d7b n ASP 38 Cb 0.33 1.20 -0.06 0.00 -0.02 0.00 0.00 41.12 42.57 3d7b n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d7b s ARG 39 N -2.65 1.24 -0.33 -1.24 1.04 -1.26 -5.06 118.95 110.68 3d7b s ARG 39 Ca -0.07 -1.08 -0.27 0.00 -1.04 0.00 0.00 55.73 53.27 3d7b s ARG 39 Cb 0.07 0.42 0.01 0.00 -2.04 0.00 0.00 34.95 33.42 3d7b s ARG 39 CO 0.66 -0.48 0.97 0.00 -0.04 0.00 0.00 175.30 176.41 3d7b s LYS 41 N 3.46 4.09 0.16 0.00 2.20 -0.74 -4.91 119.74 124.01 3d7b s LYS 41 Ca 0.40 2.28 -0.13 0.00 -0.36 0.00 0.00 55.97 58.16 3d7b s LYS 41 Cb -0.12 -4.06 0.04 0.00 -1.51 0.00 0.00 37.83 32.17 3d7b s LYS 41 CO 0.16 -0.97 1.69 -1.35 -0.36 0.00 0.00 175.35 174.52 3d7b h PRO 42 N 10.22 0.80 -3.84 4.03 0.11 -1.94 -3.44 132.00 137.94 3d7b h PRO 42 Ca -0.42 -0.16 -0.33 0.00 0.11 0.00 0.00 66.00 65.20 3d7b h PRO 42 Cb 1.20 -0.12 -0.32 0.00 0.11 0.00 0.00 31.00 31.87 3d7b h PRO 42 CO 0.95 0.73 -0.75 0.08 -0.21 0.00 0.00 178.00 178.81 3d7b s VAL 43 N -5.45 0.21 -0.26 3.15 1.01 -1.26 -0.42 120.40 117.37 3d7b s VAL 43 Ca -0.13 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 3d7b s VAL 43 Cb 0.12 -0.26 0.07 0.00 0.00 0.00 0.00 36.38 36.31 3d7b s VAL 43 CO 0.79 0.12 0.67 0.21 0.00 0.00 0.00 175.10 176.89 3d7b s ASN 44 N 0.66 -0.83 -0.14 3.32 2.47 -0.04 -5.03 114.94 115.36 3d7b s ASN 44 Ca -0.07 1.42 -0.05 0.00 0.42 0.00 0.00 52.86 54.59 3d7b s ASN 44 Cb -0.10 1.35 -0.04 0.00 -1.45 0.00 0.00 41.25 41.01 3d7b s ASN 44 CO -0.01 -0.24 0.03 -0.89 -3.72 0.00 0.00 177.10 172.28 3d7b s THR 45 N 1.15 4.57 -0.08 -5.21 2.01 -1.26 -0.94 115.64 115.88 3d7b s THR 45 Ca -0.06 -0.13 -0.00 0.00 0.31 0.00 0.00 61.69 61.80 3d7b s THR 45 Cb -0.05 -2.99 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 3d7b s THR 45 CO -0.12 0.54 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.95 3d7b s PHE 46 N -0.26 3.03 -0.19 4.92 0.08 -0.21 -4.36 117.98 120.99 3d7b s PHE 46 Ca 0.07 0.07 -0.05 0.00 0.12 0.00 0.00 56.93 57.14 3d7b s PHE 46 Cb -0.12 -1.75 -0.03 0.00 -0.57 0.00 0.00 43.02 40.55 3d7b s PHE 46 CO 0.02 0.37 0.00 0.08 -0.10 0.00 0.00 175.22 175.59 3d7b s VAL 47 N -0.78 4.03 -0.93 -0.44 1.01 0.17 -0.71 120.40 122.74 3d7b s VAL 47 Ca 0.12 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 3d7b s VAL 47 Cb -0.11 -2.81 0.32 0.00 0.00 0.00 0.00 36.38 33.77 3d7b s VAL 47 CO 0.02 0.44 1.52 1.41 0.00 0.00 0.00 175.10 178.49 3d7b n HIS 48 N 4.06 2.94 -4.29 5.22 -0.00 0.95 -1.41 115.22 122.69 3d7b n HIS 48 Ca -0.17 -2.93 -0.15 0.00 -0.00 0.00 0.00 57.72 54.47 3d7b n HIS 48 Cb 0.52 -1.04 -0.10 0.00 -0.00 0.00 0.00 29.99 29.37 3d7b n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 3d7b s GLU 49 N -3.73 1.31 0.63 -0.41 0.41 -1.26 -4.43 118.70 111.22 3d7b s GLU 49 Ca 0.39 -1.69 -0.18 0.00 -0.41 0.00 0.00 54.97 53.09 3d7b s GLU 49 Cb 0.17 -0.26 -0.02 0.00 -1.78 0.00 0.00 34.13 32.25 3d7b s GLU 49 CO -0.07 -0.24 1.23 -1.54 -0.49 0.00 0.00 175.26 174.14 3d7b s SER 50 N -3.26 4.88 0.26 -0.19 1.04 -1.26 -4.29 113.70 110.87 3d7b s SER 50 Ca 0.33 2.43 -0.02 0.00 0.48 0.00 0.00 55.95 59.18 3d7b s SER 50 Cb 0.07 -2.60 0.45 0.00 0.10 0.00 0.00 66.02 64.04 3d7b s SER 50 CO 0.10 -1.81 1.84 0.25 0.98 0.00 0.00 173.24 174.61 3d7b h LEU 51 N 0.58 0.87 -0.65 2.42 5.85 -1.97 -1.91 115.31 120.51 3d7b h LEU 51 Ca -0.50 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.30 3d7b h LEU 51 Cb 1.31 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 3d7b h LEU 51 CO 0.54 0.51 0.38 0.00 -0.34 0.00 0.00 178.44 179.52 3d7b h ALA 52 N 1.48 0.86 -0.57 1.25 0.00 -1.99 0.15 119.26 120.44 3d7b h ALA 52 Ca 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 3d7b h ALA 52 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3d7b h ALA 52 CO -0.23 0.09 0.01 -0.44 0.00 0.00 0.00 179.25 178.68 3d7b h ASP 53 N 0.72 0.95 -0.19 0.00 5.19 -1.77 -0.76 116.42 120.57 3d7b h ASP 53 Ca 0.28 -0.25 -0.09 0.00 -0.62 0.00 0.00 57.03 56.34 3d7b h ASP 53 Cb 0.11 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.36 3d7b h ASP 53 CO -0.15 1.00 -0.25 0.58 -3.12 0.00 0.00 179.24 177.31 3d7b h VAL 54 N 0.91 1.34 -0.42 -1.35 2.07 -0.92 -2.97 116.25 114.90 3d7b h VAL 54 Ca 0.17 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.27 3d7b h VAL 54 Cb 0.51 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.09 3d7b h VAL 54 CO 0.02 0.44 0.28 1.56 0.02 0.00 0.00 177.57 179.89 3d7b h GLN 55 N 0.16 0.45 0.00 1.57 4.20 -0.58 -1.50 115.11 119.41 3d7b h GLN 55 Ca 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3d7b h GLN 55 Cb 0.81 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 3d7b h GLN 55 CO 0.06 0.30 -0.03 0.00 -0.67 0.00 0.00 178.83 178.49 3d7b h ALA 56 N 1.76 1.10 -0.20 3.87 0.00 -0.97 -2.45 119.26 122.35 3d7b h ALA 56 Ca 0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3d7b h ALA 56 Cb 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3d7b h ALA 56 CO -0.04 0.03 0.17 0.28 0.00 0.00 0.00 179.25 179.69 3d7b h VAL 57 N 0.00 0.72 0.00 0.00 2.07 -1.25 -0.71 116.25 117.08 3d7b h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3d7b h VAL 57 Cb 0.20 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3d7b h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3d7b n SER 59 N -1.38 3.10 0.00 0.00 7.64 -0.27 -5.01 113.62 117.70 3d7b n SER 59 Ca 0.03 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.38 3d7b n SER 59 Cb 0.08 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 3d7b n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3d7b n GLN 60 N -0.26 0.24 -2.70 1.43 6.02 -0.16 -5.00 117.38 116.95 3d7b n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 3d7b n GLN 60 Cb 0.61 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.84 3d7b n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3d7b s LYS 61 N 4.08 3.51 0.09 -1.09 2.20 -1.01 -4.90 119.74 122.62 3d7b s LYS 61 Ca 0.00 0.16 -0.31 0.00 -0.36 0.00 0.00 55.97 55.46 3d7b s LYS 61 Cb 0.00 -3.99 -0.08 0.00 -1.51 0.00 0.00 37.83 32.25 3d7b s LYS 61 CO 0.00 -1.48 1.50 1.21 -0.36 0.00 0.00 175.35 176.23 3d7b s ASN 62 N 2.69 6.71 0.07 1.43 3.04 -1.26 -0.16 114.94 127.46 3d7b s ASN 62 Ca 0.39 2.40 -0.02 0.00 0.04 0.00 0.00 52.86 55.67 3d7b s ASN 62 Cb -0.09 -2.58 -0.03 0.00 -1.54 0.00 0.00 41.25 37.01 3d7b s ASN 62 CO 0.25 -0.77 0.02 0.68 -3.04 0.00 0.00 177.10 174.24 3d7b s VAL 63 N 1.75 0.18 0.50 -5.21 -7.23 -0.17 -4.91 120.40 105.31 3d7b s VAL 63 Ca 0.68 -1.75 -0.21 0.00 -1.81 0.00 0.00 61.98 58.89 3d7b s VAL 63 Cb -0.38 -1.62 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 3d7b s VAL 63 CO 0.30 -0.83 1.15 0.00 -0.31 0.00 0.00 175.10 175.41 3d7b s ALA 64 N -3.94 2.83 0.61 1.32 0.00 -1.26 -2.83 121.76 118.48 3d7b s ALA 64 Ca 0.11 0.88 -0.08 0.00 0.00 0.00 0.00 51.96 52.86 3d7b s ALA 64 Cb 0.07 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 3d7b s ALA 64 CO -0.07 -0.72 0.96 0.00 0.00 0.00 0.00 175.76 175.93 3d7b h LYS 66 N -0.26 0.75 0.00 0.00 1.57 -1.93 -1.48 116.57 115.21 3d7b h LYS 66 Ca -0.45 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3d7b h LYS 66 Cb 1.23 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3d7b h LYS 66 CO 0.62 0.50 0.00 0.27 -0.57 0.00 0.00 179.45 180.27 3d7b n ASN 67 N -4.76 0.00 0.00 0.86 0.23 -1.26 -4.89 115.26 105.44 3d7b n ASN 67 Ca 0.23 -1.16 0.00 0.00 -0.53 0.00 0.00 54.58 53.12 3d7b n ASN 67 Cb 0.56 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 3d7b n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3d7b n GLY 68 N 0.86 1.71 3.73 4.83 0.00 -0.56 -5.06 105.19 110.70 3d7b n GLY 68 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3d7b n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d7b s GLN 69 N -0.72 1.87 -0.20 1.61 -1.52 -1.26 -4.74 119.66 114.70 3d7b s GLN 69 Ca 0.00 1.40 0.14 0.00 -1.95 0.00 0.00 55.36 54.96 3d7b s GLN 69 Cb 0.00 -1.84 0.43 0.00 -0.22 0.00 0.00 33.01 31.38 3d7b s GLN 69 CO 0.00 -1.97 1.31 0.25 -0.25 0.00 0.00 175.29 174.63 3d7b n THR 70 N -3.54 2.21 -1.25 -0.19 -2.24 -1.26 -0.21 114.28 107.80 3d7b n THR 70 Ca 0.11 -2.48 -0.21 0.00 -2.27 0.00 0.00 64.05 59.20 3d7b n THR 70 Cb 0.52 -0.26 0.19 0.00 -2.10 0.00 0.00 70.33 68.68 3d7b n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3d7b n ASN 71 N -1.07 3.67 -4.94 3.42 6.94 -1.26 -4.75 115.26 117.26 3d7b n ASN 71 Ca 0.22 -3.61 -0.26 0.00 -0.02 0.00 0.00 54.58 50.91 3d7b n ASN 71 Cb 0.81 -0.81 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 3d7b n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3d7b s TYR 73 N -1.83 -0.07 -0.16 0.00 1.51 0.43 -1.00 117.35 116.22 3d7b s TYR 73 Ca 0.36 0.29 -0.11 0.00 -1.01 0.00 0.00 57.07 56.60 3d7b s TYR 73 Cb -0.11 -0.11 -0.05 0.00 -0.11 0.00 0.00 41.96 41.58 3d7b s TYR 73 CO 0.29 -0.11 0.20 -1.14 -1.11 0.00 0.00 175.55 173.68 3d7b s GLN 74 N 0.88 4.07 0.31 -0.62 0.74 0.77 -1.30 119.66 124.50 3d7b s GLN 74 Ca -0.07 -0.08 -0.29 0.00 0.05 0.00 0.00 55.36 54.97 3d7b s GLN 74 Cb -0.09 -3.37 -0.11 0.00 1.10 0.00 0.00 33.01 30.53 3d7b s GLN 74 CO -0.04 0.38 1.51 -1.54 -0.55 0.00 0.00 175.29 175.06 3d7b s SER 75 N 0.10 6.45 0.20 6.67 1.04 0.08 -2.42 113.70 125.82 3d7b s SER 75 Ca 0.13 2.90 -0.08 0.00 0.48 0.00 0.00 55.95 59.37 3d7b s SER 75 Cb -0.12 -2.64 0.12 0.00 0.10 0.00 0.00 66.02 63.47 3d7b s SER 75 CO 0.02 -0.83 1.69 1.88 0.98 0.00 0.00 173.24 176.97 3d7b h TYR 76 N 4.31 1.17 -2.88 5.02 0.05 -1.94 -3.43 116.97 119.26 3d7b h TYR 76 Ca -0.48 -0.17 -0.52 0.00 0.05 0.00 0.00 58.73 57.62 3d7b h TYR 76 Cb 1.22 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 3d7b h TYR 76 CO 0.57 0.98 -0.27 -1.12 -1.05 0.00 0.00 178.16 177.28 3d7b s SER 77 N -6.52 6.38 0.61 3.88 0.01 -1.26 -5.04 113.70 111.75 3d7b s SER 77 Ca -0.12 0.46 -0.16 0.00 1.31 0.00 0.00 55.95 57.45 3d7b s SER 77 Cb 0.14 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 3d7b s SER 77 CO 0.85 -0.12 1.08 0.42 0.41 0.00 0.00 173.24 175.88 3d7b s THR 78 N -2.00 3.55 0.06 1.44 -4.23 -1.26 -4.44 115.64 108.76 3d7b s THR 78 Ca 0.40 0.76 0.04 0.00 -1.18 0.00 0.00 61.69 61.71 3d7b s THR 78 Cb -0.11 -3.28 -0.03 0.00 1.34 0.00 0.00 72.50 70.43 3d7b s THR 78 CO 0.30 -0.41 -0.12 -0.04 -0.54 0.00 0.00 174.62 173.81 3d7b s MET 79 N -3.98 0.74 -0.12 3.99 -1.94 0.47 -4.86 119.30 113.59 3d7b s MET 79 Ca 0.66 -0.90 -0.29 0.00 -1.71 0.00 0.00 55.69 53.44 3d7b s MET 79 Cb -0.18 -0.67 -0.04 0.00 2.01 0.00 0.00 34.83 35.95 3d7b s MET 79 CO 0.37 0.14 1.50 0.45 -0.01 0.00 0.00 175.02 177.47 3d7b s SER 80 N -1.71 6.73 0.20 3.03 0.15 -1.26 -1.59 113.70 119.25 3d7b s SER 80 Ca -0.04 1.94 0.04 0.00 0.70 0.00 0.00 55.95 58.59 3d7b s SER 80 Cb -0.10 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.63 3d7b s SER 80 CO 0.02 -0.91 -0.05 0.27 1.20 0.00 0.00 173.24 173.76 3d7b s ILE 81 N 4.00 1.17 -0.11 6.45 -4.36 0.06 -0.04 121.20 128.37 3d7b s ILE 81 Ca 0.66 -2.06 0.01 0.00 -0.26 0.00 0.00 60.65 59.00 3d7b s ILE 81 Cb -0.28 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.32 3d7b s ILE 81 CO 0.24 -0.51 -0.12 -0.89 0.24 0.00 0.00 174.94 173.90 3d7b s THR 82 N -3.33 1.30 -0.18 8.37 2.01 0.11 -1.31 115.64 122.60 3d7b s THR 82 Ca 0.23 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 3d7b s THR 82 Cb 0.04 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.29 3d7b s THR 82 CO 0.06 0.41 0.53 -1.81 -0.69 0.00 0.00 174.62 173.11 3d7b s ASP 83 N 1.29 6.61 -0.22 3.53 1.01 0.35 -1.05 116.67 128.19 3d7b s ASP 83 Ca -0.01 0.73 -0.04 0.00 0.71 0.00 0.00 52.55 53.93 3d7b s ASP 83 Cb -0.14 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 3d7b s ASP 83 CO -0.05 -0.15 -0.03 0.00 0.21 0.00 0.00 175.17 175.14 3d7b s ARG 85 N 1.37 0.76 0.34 0.00 3.52 -1.04 -0.87 118.95 123.04 3d7b s ARG 85 Ca 0.04 -0.06 -0.28 0.00 -0.13 0.00 0.00 55.73 55.30 3d7b s ARG 85 Cb -0.14 -0.84 -0.12 0.00 -1.56 0.00 0.00 34.95 32.28 3d7b s ARG 85 CO -0.02 -0.12 1.25 -1.91 -0.81 0.00 0.00 175.30 173.69 3d7b n GLU 86 N 4.23 2.02 -1.40 5.12 2.13 0.44 -0.94 120.64 132.23 3d7b n GLU 86 Ca -0.22 0.71 -0.31 0.00 0.66 0.00 0.00 57.16 58.00 3d7b n GLU 86 Cb 0.51 -2.27 0.08 0.00 0.27 0.00 0.00 31.44 30.03 3d7b n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3d7b s THR 87 N -1.10 3.52 0.47 6.31 -4.23 -0.30 -4.78 115.64 115.53 3d7b s THR 87 Ca 0.56 0.49 0.30 0.00 -1.18 0.00 0.00 61.69 61.86 3d7b s THR 87 Cb -0.58 -3.10 0.33 0.00 1.34 0.00 0.00 72.50 70.49 3d7b s THR 87 CO 0.62 -0.64 2.15 1.23 -0.54 0.00 0.00 174.62 177.43 3d7b h GLY 88 N -1.01 0.00 -0.45 3.99 0.00 -1.93 -2.81 103.07 100.86 3d7b h GLY 88 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3d7b h GLY 88 CO 0.54 0.00 -0.59 -1.14 0.00 0.00 0.00 176.54 175.36 3d7b n SER 89 N -3.60 1.54 -4.73 0.19 3.41 -1.26 -4.98 113.62 104.18 3d7b n SER 89 Ca -0.02 -1.22 -0.42 0.00 -0.26 0.00 0.00 58.87 56.94 3d7b n SER 89 Cb 0.19 0.55 -0.02 0.00 -0.26 0.00 0.00 64.21 64.67 3d7b n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3d7b n SER 90 N -0.58 3.84 -3.54 4.04 2.88 -1.06 -5.00 113.62 114.20 3d7b n SER 90 Ca 0.08 1.12 -0.17 0.00 -1.33 0.00 0.00 58.87 58.57 3d7b n SER 90 Cb 0.41 -1.58 -0.13 0.00 -0.75 0.00 0.00 64.21 62.16 3d7b n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3d7b s LYS 91 N 0.01 0.16 0.23 -1.46 2.20 -1.19 -4.94 119.74 114.75 3d7b s LYS 91 Ca 0.68 0.33 -0.31 0.00 -0.36 0.00 0.00 55.97 56.31 3d7b s LYS 91 Cb -0.51 -0.91 -0.15 0.00 -1.51 0.00 0.00 37.83 34.75 3d7b s LYS 91 CO 0.44 -0.55 1.14 0.98 -0.36 0.00 0.00 175.35 177.00 3d7b n TYR 92 N 5.32 1.43 1.82 4.03 9.36 -1.26 -0.43 117.16 137.43 3d7b n TYR 92 Ca -0.05 0.65 0.15 0.00 3.32 0.00 0.00 57.90 61.97 3d7b n TYR 92 Cb 0.50 -2.30 0.84 0.00 -0.63 0.00 0.00 39.34 37.75 3d7b n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3d7b n PRO 93 N 1.37 1.01 -2.95 2.98 -0.04 -1.26 -4.96 135.00 131.16 3d7b n PRO 93 Ca 0.12 -0.16 -0.43 0.00 -0.04 0.00 0.00 63.50 62.99 3d7b n PRO 93 Cb 0.29 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.26 3d7b n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3d7b n ASN 94 N -0.86 6.07 -4.77 3.54 3.02 0.42 -5.02 115.26 117.66 3d7b n ASN 94 Ca 0.21 -3.30 -0.38 0.00 -0.03 0.00 0.00 54.58 51.09 3d7b n ASN 94 Cb 0.17 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.02 3d7b n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d7b s ALA 96 N -1.45 -0.53 0.03 0.00 0.00 -1.26 -4.95 121.76 113.60 3d7b s ALA 96 Ca 0.64 0.80 0.05 0.00 0.00 0.00 0.00 51.96 53.46 3d7b s ALA 96 Cb -0.32 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 3d7b s ALA 96 CO 0.39 -0.15 -0.15 0.71 0.00 0.00 0.00 175.76 176.55 3d7b s TYR 97 N 0.74 1.36 -0.04 0.00 2.02 -1.26 -1.15 117.35 119.02 3d7b s TYR 97 Ca -0.05 -0.33 -0.19 0.00 -0.37 0.00 0.00 57.07 56.12 3d7b s TYR 97 Cb -0.07 -0.82 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 3d7b s TYR 97 CO -0.04 0.03 0.54 0.15 -1.57 0.00 0.00 175.55 174.66 3d7b s LYS 98 N -0.98 4.27 -0.24 -0.62 -0.14 -0.12 -4.67 119.74 117.25 3d7b s LYS 98 Ca 0.04 0.61 -0.11 0.00 -1.36 0.00 0.00 55.97 55.15 3d7b s LYS 98 Cb -0.08 -3.36 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 3d7b s LYS 98 CO 0.01 0.34 0.18 0.99 -0.76 0.00 0.00 175.35 176.11 3d7b s THR 99 N -0.04 5.34 -0.15 2.17 2.01 -1.26 -2.51 115.64 121.20 3d7b s THR 99 Ca 0.29 0.21 -0.01 0.00 0.31 0.00 0.00 61.69 62.49 3d7b s THR 99 Cb -0.17 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 68.86 3d7b s THR 99 CO 0.15 0.33 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.46 3d7b s THR 100 N 1.17 1.07 0.20 -0.82 2.01 -0.52 -4.97 115.64 113.77 3d7b s THR 100 Ca 0.08 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.27 3d7b s THR 100 Cb -0.14 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.07 3d7b s THR 100 CO 0.06 0.18 0.83 -1.58 -0.69 0.00 0.00 174.62 173.41 3d7b s GLN 101 N 1.66 4.65 0.21 4.92 2.00 -1.26 -0.50 119.66 131.34 3d7b s GLN 101 Ca 0.02 1.26 -0.15 0.00 -2.00 0.00 0.00 55.36 54.49 3d7b s GLN 101 Cb -0.15 -3.25 0.01 0.00 0.80 0.00 0.00 33.01 30.43 3d7b s GLN 101 CO -0.08 0.54 0.49 0.00 -0.50 0.00 0.00 175.29 175.74 3d7b s ALA 102 N -1.18 -0.64 -0.30 1.58 0.00 -0.43 -4.96 121.76 115.83 3d7b s ALA 102 Ca 0.38 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.87 3d7b s ALA 102 Cb -0.24 0.90 0.08 0.00 0.00 0.00 0.00 23.12 23.87 3d7b s ALA 102 CO 0.28 -0.81 0.01 1.21 0.00 0.00 0.00 175.76 176.45 3d7b s ASN 103 N -2.93 4.37 0.10 0.00 3.84 -1.26 -0.76 114.94 118.30 3d7b s ASN 103 Ca 0.14 -1.71 -0.03 0.00 0.21 0.00 0.00 52.86 51.47 3d7b s ASN 103 Cb -0.01 -1.38 -0.03 0.00 -0.55 0.00 0.00 41.25 39.28 3d7b s ASN 103 CO 0.01 -0.32 0.07 -0.54 -2.79 0.00 0.00 177.10 173.53 3d7b s LYS 104 N 1.17 0.83 0.31 0.43 1.02 -0.62 -4.77 119.74 118.12 3d7b s LYS 104 Ca 0.03 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 54.48 3d7b s LYS 104 Cb -0.19 0.26 -0.09 0.00 -0.52 0.00 0.00 37.83 37.29 3d7b s LYS 104 CO -0.10 -0.23 1.04 -1.01 -0.92 0.00 0.00 175.35 174.13 3d7b s HIS 105 N -3.97 3.58 0.09 3.18 3.76 -0.07 -0.39 115.29 121.47 3d7b s HIS 105 Ca 0.15 1.73 0.02 0.00 -0.15 0.00 0.00 55.06 56.81 3d7b s HIS 105 Cb 0.07 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.56 3d7b s HIS 105 CO -0.04 -0.32 0.16 0.96 -0.85 0.00 0.00 174.74 174.64 3d7b s ILE 106 N -1.34 4.92 -0.14 0.60 -4.36 -1.26 -0.30 121.20 119.31 3d7b s ILE 106 Ca 0.48 -0.67 0.01 0.00 -0.26 0.00 0.00 60.65 60.22 3d7b s ILE 106 Cb -0.27 -3.42 0.02 0.00 1.25 0.00 0.00 42.46 40.04 3d7b s ILE 106 CO 0.34 0.08 -0.17 -0.63 0.24 0.00 0.00 174.94 174.79 3d7b s ILE 107 N -1.52 1.76 0.12 8.37 1.01 0.12 -0.74 121.20 130.32 3d7b s ILE 107 Ca 0.32 -0.77 0.07 0.00 0.00 0.00 0.00 60.65 60.27 3d7b s ILE 107 Cb -0.12 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3d7b s ILE 107 CO 0.25 0.49 -0.17 0.68 0.00 0.00 0.00 174.94 176.19 3d7b s VAL 108 N 1.17 1.53 0.00 2.92 -7.23 -0.42 -0.29 120.40 118.08 3d7b s VAL 108 Ca -0.01 -1.68 -0.18 0.00 -1.81 0.00 0.00 61.98 58.31 3d7b s VAL 108 Cb -0.14 -1.56 -0.06 0.00 0.56 0.00 0.00 36.38 35.18 3d7b s VAL 108 CO -0.07 -0.28 0.50 0.00 -0.31 0.00 0.00 175.10 174.94 3d7b s ALA 109 N -1.76 3.60 -0.01 1.32 0.00 -0.39 -0.43 121.76 124.10 3d7b s ALA 109 Ca 0.09 -0.10 0.07 0.00 0.00 0.00 0.00 51.96 52.02 3d7b s ALA 109 Cb -0.07 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 3d7b s ALA 109 CO 0.04 0.33 -0.23 0.00 0.00 0.00 0.00 175.76 175.91 3d7b s GLU 111 N -0.86 1.14 0.00 0.00 2.12 -0.63 -4.89 118.70 115.57 3d7b s GLU 111 Ca 0.11 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.42 3d7b s GLU 111 Cb -0.10 0.53 0.00 0.00 0.26 0.00 0.00 34.13 34.82 3d7b s GLU 111 CO 0.01 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 3d7b n GLY 112 N 0.42 -0.23 2.87 -1.50 0.00 -1.26 -2.97 105.19 102.51 3d7b n GLY 112 Ca -0.18 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 3d7b n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d7b s ASN 113 N -0.84 3.57 0.66 1.61 3.04 -1.26 -1.93 114.94 119.80 3d7b s ASN 113 Ca 0.00 -1.10 -0.16 0.00 0.04 0.00 0.00 52.86 51.64 3d7b s ASN 113 Cb 0.00 -0.99 0.00 0.00 -1.54 0.00 0.00 41.25 38.72 3d7b s ASN 113 CO 0.00 -0.27 1.19 -2.16 -3.04 0.00 0.00 177.10 172.82 3d7b s PRO 114 N 1.54 2.59 -0.72 0.43 0.04 -1.26 -5.09 135.00 132.54 3d7b s PRO 114 Ca -0.03 1.72 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 3d7b s PRO 114 Cb -0.18 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.50 3d7b s PRO 114 CO -0.07 -1.47 1.21 -0.47 0.04 0.00 0.00 177.00 176.23 3d7b s TYR 115 N -1.89 2.38 0.18 0.56 5.04 -0.81 -4.86 117.35 117.94 3d7b s TYR 115 Ca 0.74 -0.18 0.02 0.00 -2.44 0.00 0.00 57.07 55.22 3d7b s TYR 115 Cb -0.28 -4.55 -0.05 0.00 0.35 0.00 0.00 41.96 37.43 3d7b s TYR 115 CO 0.40 -1.97 -0.01 0.14 -1.34 0.00 0.00 175.55 172.76 3d7b s VAL 116 N 5.33 0.77 0.25 3.14 -7.23 -1.16 -4.85 120.40 116.65 3d7b s VAL 116 Ca 0.32 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.19 3d7b s VAL 116 Cb -0.10 -2.12 -0.10 0.00 0.56 0.00 0.00 36.38 34.62 3d7b s VAL 116 CO 0.14 -0.48 1.49 -2.84 -0.31 0.00 0.00 175.10 173.09 3d7b s PRO 117 N -3.89 4.23 0.00 4.82 0.02 -1.26 -1.60 135.00 137.32 3d7b s PRO 117 Ca 0.24 2.36 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3d7b s PRO 117 Cb 0.06 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.48 3d7b s PRO 117 CO 0.04 -0.48 0.26 1.33 -0.33 0.00 0.00 177.00 177.81 3d7b n VAL 118 N 2.52 0.00 -3.64 3.83 0.24 0.65 -4.40 118.33 117.53 3d7b n VAL 118 Ca 0.08 -0.40 -0.13 0.00 -2.04 0.00 0.00 64.34 61.84 3d7b n VAL 118 Cb 0.39 1.12 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 3d7b n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3d7b s HIS 119 N -0.30 -0.78 -0.35 6.34 5.65 -1.20 -4.70 115.29 119.95 3d7b s HIS 119 Ca 0.00 1.87 -0.14 0.00 0.25 0.00 0.00 55.06 57.04 3d7b s HIS 119 Cb 0.00 0.29 -0.01 0.00 -1.18 0.00 0.00 32.58 31.67 3d7b s HIS 119 CO 0.00 -0.38 0.31 0.12 -0.65 0.00 0.00 174.74 174.14 3d7b s PHE 120 N 0.46 3.22 -0.16 3.88 2.19 -1.26 -1.26 117.98 125.05 3d7b s PHE 120 Ca -0.01 -0.14 -0.19 0.00 0.33 0.00 0.00 56.93 56.92 3d7b s PHE 120 Cb -0.05 -2.58 -0.23 0.00 -1.31 0.00 0.00 43.02 38.84 3d7b s PHE 120 CO -0.01 -0.41 0.42 0.22 1.83 0.00 0.00 175.22 177.27 3d7b h ASP 121 N 8.49 0.16 -4.92 6.13 3.58 -1.00 -3.49 116.42 125.38 3d7b h ASP 121 Ca -0.30 -0.73 0.26 0.00 0.42 0.00 0.00 57.03 56.68 3d7b h ASP 121 Cb 1.15 -0.05 -0.15 0.00 1.72 0.00 0.00 39.33 41.99 3d7b h ASP 121 CO 0.67 1.50 0.76 0.00 -2.88 0.00 0.00 179.24 179.29 3d7b s ALA 122 N -2.40 -2.07 -0.00 -0.78 0.00 -1.08 -4.97 121.76 110.46 3d7b s ALA 122 Ca -0.24 1.10 0.05 0.00 0.00 0.00 0.00 51.96 52.87 3d7b s ALA 122 Cb 0.04 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 3d7b s ALA 122 CO 0.68 -0.81 -0.16 -1.54 0.00 0.00 0.00 175.76 173.93 3d7b s SER 123 N -2.56 3.88 0.00 0.00 1.04 -1.26 0.12 113.70 114.92 3d7b s SER 123 Ca 0.11 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3d7b s SER 123 Cb 0.01 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.41 3d7b s SER 123 CO -0.04 0.30 0.31 1.33 0.98 0.00 0.00 173.24 176.12