#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 4.00 0.78 -1.58 2.12 -1.26 -5.02 118.70 117.74 3d7b s GLU 2 Ca 0.00 1.39 -0.11 0.00 0.36 0.00 0.00 54.97 56.61 3d7b s GLU 2 Cb 0.00 -3.85 0.06 0.00 0.26 0.00 0.00 34.13 30.60 3d7b s GLU 2 CO 0.00 -1.01 1.08 0.95 -0.54 0.00 0.00 175.26 175.75 3d7b s THR 3 N 4.16 3.33 0.25 -1.70 -4.23 -1.26 -4.84 115.64 111.35 3d7b s THR 3 Ca 0.57 0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 61.45 3d7b s THR 3 Cb -0.19 -3.07 0.24 0.00 1.34 0.00 0.00 72.50 70.82 3d7b s THR 3 CO 0.21 -0.57 1.90 0.00 -0.54 0.00 0.00 174.62 175.62 3d7b h ALA 4 N -1.07 1.25 -0.48 3.99 0.00 -1.95 0.30 119.26 121.29 3d7b h ALA 4 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3d7b h ALA 4 Cb 1.25 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3d7b h ALA 4 CO 0.56 0.50 0.30 0.00 0.00 0.00 0.00 179.25 180.61 3d7b h ALA 5 N 1.38 0.62 -0.71 0.00 0.00 -1.90 -0.69 119.26 117.96 3d7b h ALA 5 Ca 0.37 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 3d7b h ALA 5 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3d7b h ALA 5 CO -0.12 0.09 0.17 0.00 0.00 0.00 0.00 179.25 179.39 3d7b h ALA 6 N 1.15 0.94 -0.48 0.00 0.00 -1.77 -1.76 119.26 117.34 3d7b h ALA 6 Ca 0.18 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3d7b h ALA 6 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3d7b h ALA 6 CO -0.03 0.67 0.24 -0.22 0.00 0.00 0.00 179.25 179.91 3d7b h LYS 7 N 1.08 0.68 -0.49 0.00 3.64 -0.69 0.16 116.57 120.94 3d7b h LYS 7 Ca 0.22 -0.09 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3d7b h LYS 7 Cb 0.38 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 3d7b h LYS 7 CO 0.00 0.56 0.18 0.35 -2.27 0.00 0.00 179.45 178.27 3d7b h PHE 8 N 0.63 0.31 -0.66 1.91 3.04 -0.94 0.79 116.94 122.02 3d7b h PHE 8 Ca 0.17 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.15 3d7b h PHE 8 Cb 0.09 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.50 3d7b h PHE 8 CO -0.01 0.11 0.44 0.93 -2.02 0.00 0.00 178.31 177.75 3d7b h GLU 9 N 0.36 0.87 -0.49 1.11 5.08 -0.74 0.17 114.58 120.93 3d7b h GLU 9 Ca 0.24 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3d7b h GLU 9 Cb 0.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3d7b h GLU 9 CO -0.24 0.58 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.24 3d7b h ARG 10 N 0.90 0.89 0.00 2.33 2.43 -0.51 -2.27 114.38 118.15 3d7b h ARG 10 Ca 0.24 -0.29 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 3d7b h ARG 10 Cb -0.10 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3d7b h ARG 10 CO -0.05 0.93 -1.07 1.96 -1.51 0.00 0.00 179.97 180.23 3d7b h GLN 11 N 0.75 0.00 0.00 0.20 4.20 -0.64 -3.42 115.11 116.19 3d7b h GLN 11 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3d7b h GLN 11 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3d7b h GLN 11 CO 0.03 0.86 0.00 0.72 -0.67 0.00 0.00 178.83 179.77 3d7b n HIS 12 N -3.28 0.00 -3.96 2.96 8.25 0.56 -4.68 115.22 115.07 3d7b n HIS 12 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.08 3d7b n HIS 12 Cb 0.94 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.94 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 -0.34 3.90 -0.42 -0.41 -1.94 -0.85 0.04 119.30 119.28 3d7b s MET 13 Ca 0.00 -0.38 0.06 0.00 -1.71 0.00 0.00 55.69 53.66 3d7b s MET 13 Cb 0.00 -3.25 0.21 0.00 2.01 0.00 0.00 34.83 33.80 3d7b s MET 13 CO 0.00 0.16 0.47 -3.47 -0.01 0.00 0.00 175.02 172.17 3d7b n ASP 14 N 3.88 -0.66 0.24 3.03 2.03 -0.25 -4.84 116.55 119.97 3d7b n ASP 14 Ca -0.16 -2.59 0.16 0.00 0.52 0.00 0.00 54.79 52.72 3d7b n ASP 14 Cb 0.52 -0.24 0.64 0.00 -0.72 0.00 0.00 41.12 41.33 3d7b n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3d7b h SER 15 N 4.88 0.00 -0.30 1.67 0.02 -1.75 -3.32 113.55 114.76 3d7b h SER 15 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3d7b h SER 15 Cb 0.92 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 3d7b h SER 15 CO 0.37 0.00 0.18 0.28 -1.14 0.00 0.00 176.83 176.52 3d7b h SER 16 N 0.00 0.37 -3.58 3.07 0.02 -1.92 -3.42 113.55 108.09 3d7b h SER 16 Ca 0.00 -0.02 -0.67 0.00 -0.84 0.00 0.00 61.79 60.27 3d7b h SER 16 Cb 0.47 -0.09 -0.16 0.00 0.14 0.00 0.00 62.40 62.76 3d7b h SER 16 CO 0.00 0.29 -0.72 0.28 -1.14 0.00 0.00 176.83 175.55 3d7b s THR 17 N -5.35 3.53 0.23 -2.27 -1.32 -1.25 -5.03 115.64 104.19 3d7b s THR 17 Ca -0.07 -1.03 0.02 0.00 -1.21 0.00 0.00 61.69 59.39 3d7b s THR 17 Cb 0.17 -2.60 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 3d7b s THR 17 CO 0.72 0.24 1.56 0.28 -2.21 0.00 0.00 174.62 175.21 3d7b h SER 18 N 4.01 0.40 -2.23 8.08 0.02 -1.89 -3.44 113.55 118.49 3d7b h SER 18 Ca -0.48 -0.21 0.09 0.00 -0.84 0.00 0.00 61.79 60.35 3d7b h SER 18 Cb 1.17 -0.11 -0.23 0.00 0.14 0.00 0.00 62.40 63.36 3d7b h SER 18 CO 0.54 0.88 0.15 0.00 -1.14 0.00 0.00 176.83 177.25 3d7b s ALA 19 N -3.90 -2.22 -0.38 3.77 0.00 -1.26 -4.85 121.76 112.93 3d7b s ALA 19 Ca -0.05 2.26 -0.27 0.00 0.00 0.00 0.00 51.96 53.89 3d7b s ALA 19 Cb 0.12 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3d7b s ALA 19 CO 0.81 -0.60 2.10 0.00 0.00 0.00 0.00 175.76 178.07 3d7b s ALA 20 N 1.96 2.39 -0.32 0.00 0.00 -1.26 -4.83 121.76 119.71 3d7b s ALA 20 Ca -0.07 0.23 0.11 0.00 0.00 0.00 0.00 51.96 52.23 3d7b s ALA 20 Cb -0.06 -4.16 0.46 0.00 0.00 0.00 0.00 23.12 19.36 3d7b s ALA 20 CO -0.18 -3.35 1.13 0.43 0.00 0.00 0.00 175.76 173.79 3d7b n SER 21 N 12.58 3.77 -4.15 0.00 7.64 -1.26 -4.68 113.62 127.51 3d7b n SER 21 Ca 0.28 -3.24 -0.23 0.00 1.01 0.00 0.00 58.87 56.69 3d7b n SER 21 Cb 0.49 -0.42 -0.15 0.00 -1.01 0.00 0.00 64.21 63.13 3d7b n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3d7b s SER 22 N -3.59 1.87 0.48 6.43 1.04 -1.26 -5.01 113.70 113.67 3d7b s SER 22 Ca 0.42 -0.33 0.33 0.00 0.48 0.00 0.00 55.95 56.85 3d7b s SER 22 Cb 0.39 -0.19 1.66 0.00 0.10 0.00 0.00 66.02 67.99 3d7b s SER 22 CO -0.03 0.16 2.00 0.77 0.98 0.00 0.00 173.24 177.12 3d7b h SER 23 N 5.54 0.00 1.17 7.02 4.64 -1.94 -1.75 113.55 128.24 3d7b h SER 23 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3d7b h SER 23 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3d7b h SER 23 CO 0.47 0.00 -0.18 0.59 -0.87 0.00 0.00 176.83 176.84 3d7b n ASN 24 N -2.71 0.62 0.01 4.97 3.02 -1.26 -4.55 115.26 115.36 3d7b n ASN 24 Ca -0.01 0.39 -0.12 0.00 -0.03 0.00 0.00 54.58 54.82 3d7b n ASN 24 Cb 0.12 -0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 38.80 3d7b n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3d7b h TYR 25 N 0.00 -1.08 -0.58 3.10 3.20 -1.72 -1.74 116.97 118.15 3d7b h TYR 25 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3d7b h TYR 25 Cb 0.68 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 3d7b h TYR 25 CO 0.00 -0.45 0.23 0.00 -1.64 0.00 0.00 178.16 176.30 3d7b h ASN 27 N 0.81 0.58 0.01 0.00 2.35 -1.69 0.29 115.58 117.93 3d7b h ASN 27 Ca 0.19 0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.88 3d7b h ASN 27 Cb 0.21 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.56 3d7b h ASN 27 CO -0.02 0.29 -0.51 1.56 -1.65 0.00 0.00 177.43 177.11 3d7b h GLN 28 N 0.69 0.34 -0.30 0.81 4.20 -0.86 -3.26 115.11 116.73 3d7b h GLN 28 Ca 0.42 -0.37 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 3d7b h GLN 28 Cb 0.50 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3d7b h GLN 28 CO -0.31 1.06 -0.42 0.52 -0.67 0.00 0.00 178.83 179.01 3d7b h MET 29 N -0.23 0.81 -0.84 1.46 2.86 -0.44 -0.71 114.93 117.84 3d7b h MET 29 Ca -0.07 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.09 3d7b h MET 29 Cb 1.24 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.90 3d7b h MET 29 CO 0.10 1.11 0.49 0.52 1.06 0.00 0.00 176.91 180.19 3d7b h MET 30 N 0.58 1.14 0.24 1.72 2.86 -1.10 -0.91 114.93 119.46 3d7b h MET 30 Ca 0.03 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3d7b h MET 30 Cb 1.02 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.44 3d7b h MET 30 CO 0.10 0.80 -0.12 -0.22 1.06 0.00 0.00 176.91 178.54 3d7b h LYS 31 N 1.16 -0.31 0.00 1.72 3.64 -1.57 -0.35 116.57 120.86 3d7b h LYS 31 Ca 0.30 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.64 3d7b h LYS 31 Cb -0.03 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3d7b h LYS 31 CO -0.05 0.02 -0.29 0.66 -2.27 0.00 0.00 179.45 177.52 3d7b h SER 32 N -0.68 0.00 -0.30 4.20 4.64 -0.96 -1.66 113.55 118.79 3d7b h SER 32 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3d7b h SER 32 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3d7b h SER 32 CO 0.05 0.29 0.00 0.54 -0.87 0.00 0.00 176.83 176.84 3d7b n ARG 33 N -3.88 1.73 -2.94 4.77 5.12 -0.36 -4.92 116.66 116.18 3d7b n ARG 33 Ca -0.02 -1.13 -0.16 0.00 -1.93 0.00 0.00 57.85 54.62 3d7b n ARG 33 Cb 0.37 -1.26 0.04 0.00 -1.16 0.00 0.00 32.46 30.44 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 0.41 -4.84 -1.18 0.55 3.02 -0.62 -4.81 115.26 107.78 3d7b n ASN 34 Ca 0.11 -0.26 0.11 0.00 -0.03 0.00 0.00 54.58 54.51 3d7b n ASN 34 Cb 0.27 -3.61 0.27 0.00 -0.61 0.00 0.00 39.78 36.09 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 -3.12 3.65 -0.18 3.41 4.77 -0.14 -4.34 117.00 121.05 3d7b n LEU 35 Ca -0.05 -1.86 0.06 0.00 -0.03 0.00 0.00 56.01 54.13 3d7b n LEU 35 Cb 0.57 -0.38 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 3d7b n LEU 35 CO 0.37 0.88 0.46 0.35 -1.33 0.00 0.00 177.39 178.12 3d7b n THR 36 N 1.42 1.23 -0.07 -5.08 -2.24 -1.20 -2.10 114.28 106.22 3d7b n THR 36 Ca 0.21 -1.45 -0.21 0.00 -2.27 0.00 0.00 64.05 60.32 3d7b n THR 36 Cb 0.58 0.08 -0.12 0.00 -2.10 0.00 0.00 70.33 68.77 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 0.07 0.09 -0.78 3.64 -1.91 -3.39 116.57 114.28 3d7b h LYS 37 Ca 0.00 -0.11 -0.28 0.00 -1.27 0.00 0.00 60.65 58.99 3d7b h LYS 37 Cb 1.06 0.04 0.02 0.00 -0.41 0.00 0.00 32.23 32.95 3d7b h LYS 37 CO 0.00 1.05 -1.17 -0.44 -2.27 0.00 0.00 179.45 176.63 3d7b h ASP 38 N -0.76 0.77 -5.23 4.20 3.32 -1.88 -3.48 116.42 113.36 3d7b h ASP 38 Ca -0.34 -0.69 0.08 0.00 0.02 0.00 0.00 57.03 56.09 3d7b h ASP 38 Cb 1.45 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.75 3d7b h ASP 38 CO -0.13 1.51 0.45 0.00 -1.72 0.00 0.00 179.24 179.35 3d7b s ARG 39 N -3.04 1.76 -0.44 3.56 1.70 -1.26 -5.10 118.95 116.13 3d7b s ARG 39 Ca -0.08 -1.14 -0.27 0.00 -0.47 0.00 0.00 55.73 53.77 3d7b s ARG 39 Cb 0.06 0.49 0.02 0.00 -0.57 0.00 0.00 34.95 34.96 3d7b s ARG 39 CO 0.92 -0.82 1.01 0.00 -1.08 0.00 0.00 175.30 175.33 3d7b s LYS 41 N 3.94 4.14 0.19 0.00 2.20 -0.89 -4.88 119.74 124.44 3d7b s LYS 41 Ca 0.42 2.61 -0.09 0.00 -0.36 0.00 0.00 55.97 58.55 3d7b s LYS 41 Cb -0.10 -4.00 0.09 0.00 -1.51 0.00 0.00 37.83 32.31 3d7b s LYS 41 CO 0.26 -0.92 1.68 -1.35 -0.36 0.00 0.00 175.35 174.66 3d7b h PRO 42 N 10.03 1.11 -3.35 4.03 0.11 -1.93 -3.43 132.00 138.56 3d7b h PRO 42 Ca -0.48 -0.30 -0.26 0.00 0.11 0.00 0.00 66.00 65.06 3d7b h PRO 42 Cb 1.23 -0.13 -0.33 0.00 0.11 0.00 0.00 31.00 31.89 3d7b h PRO 42 CO 0.94 1.02 -0.65 0.08 -0.21 0.00 0.00 178.00 179.18 3d7b s VAL 43 N -5.20 -0.05 -0.21 3.15 1.01 -1.26 -1.29 120.40 116.55 3d7b s VAL 43 Ca -0.12 0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 3d7b s VAL 43 Cb 0.14 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 36.40 3d7b s VAL 43 CO 0.85 0.08 0.55 0.21 0.00 0.00 0.00 175.10 176.79 3d7b s ASN 44 N 1.14 -0.60 -0.09 3.32 2.47 -0.43 -5.01 114.94 115.74 3d7b s ASN 44 Ca -0.09 1.12 0.02 0.00 0.42 0.00 0.00 52.86 54.33 3d7b s ASN 44 Cb -0.12 1.11 -0.02 0.00 -1.45 0.00 0.00 41.25 40.77 3d7b s ASN 44 CO -0.05 -0.20 -0.14 -0.89 -3.72 0.00 0.00 177.10 172.11 3d7b s THR 45 N 0.54 3.08 -0.11 -5.21 2.01 -1.26 -0.38 115.64 114.31 3d7b s THR 45 Ca -0.02 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 3d7b s THR 45 Cb -0.04 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.19 3d7b s THR 45 CO -0.03 0.56 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.06 3d7b s PHE 46 N -0.24 3.01 -0.20 4.92 0.08 0.10 -4.33 117.98 121.32 3d7b s PHE 46 Ca 0.01 -0.10 -0.07 0.00 0.12 0.00 0.00 56.93 56.89 3d7b s PHE 46 Cb -0.13 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 3d7b s PHE 46 CO 0.03 0.18 0.06 0.08 -0.10 0.00 0.00 175.22 175.47 3d7b s VAL 47 N -0.28 4.57 -1.00 -0.44 1.01 0.11 -0.31 120.40 124.06 3d7b s VAL 47 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 3d7b s VAL 47 Cb -0.13 -3.08 0.31 0.00 0.00 0.00 0.00 36.38 33.48 3d7b s VAL 47 CO 0.02 0.42 1.61 1.41 0.00 0.00 0.00 175.10 178.55 3d7b n HIS 48 N 4.04 2.69 -4.19 5.22 -0.00 0.91 -1.10 115.22 122.79 3d7b n HIS 48 Ca -0.16 -2.72 -0.11 0.00 -0.00 0.00 0.00 57.72 54.73 3d7b n HIS 48 Cb 0.52 -1.15 -0.10 0.00 -0.00 0.00 0.00 29.99 29.26 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 -3.66 1.08 0.65 -0.41 0.41 -1.26 -4.46 118.70 111.05 3d7b s GLU 49 Ca 0.37 -1.54 -0.17 0.00 -0.41 0.00 0.00 54.97 53.21 3d7b s GLU 49 Cb 0.14 0.17 -0.01 0.00 -1.78 0.00 0.00 34.13 32.66 3d7b s GLU 49 CO -0.04 -0.30 1.21 -1.54 -0.49 0.00 0.00 175.26 174.10 3d7b s SER 50 N -3.12 4.79 0.24 -0.19 1.04 -1.26 -4.29 113.70 110.90 3d7b s SER 50 Ca 0.31 2.38 -0.06 0.00 0.48 0.00 0.00 55.95 59.06 3d7b s SER 50 Cb 0.07 -2.59 0.33 0.00 0.10 0.00 0.00 66.02 63.93 3d7b s SER 50 CO 0.07 -1.86 1.84 0.25 0.98 0.00 0.00 173.24 174.51 3d7b h LEU 51 N 0.39 0.79 -0.64 2.42 5.85 -1.99 -1.89 115.31 120.24 3d7b h LEU 51 Ca -0.49 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.30 3d7b h LEU 51 Cb 1.30 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 3d7b h LEU 51 CO 0.53 0.50 0.36 0.00 -0.34 0.00 0.00 178.44 179.49 3d7b h ALA 52 N 1.41 0.85 -0.75 1.25 0.00 -1.99 0.64 119.26 120.67 3d7b h ALA 52 Ca 0.37 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 3d7b h ALA 52 Cb 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3d7b h ALA 52 CO -0.18 0.05 0.25 -0.44 0.00 0.00 0.00 179.25 178.93 3d7b h ASP 53 N 0.68 1.08 -0.18 0.00 3.32 -1.77 -0.32 116.42 119.23 3d7b h ASP 53 Ca 0.28 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3d7b h ASP 53 Cb 0.14 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3d7b h ASP 53 CO -0.16 0.99 -0.47 0.58 -1.72 0.00 0.00 179.24 178.46 3d7b h VAL 54 N 1.12 1.33 -0.62 -1.35 2.07 -1.01 -3.02 116.25 114.76 3d7b h VAL 54 Ca 0.24 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 66.09 3d7b h VAL 54 Cb 0.29 1.93 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 3d7b h VAL 54 CO -0.01 0.53 0.41 1.56 0.02 0.00 0.00 177.57 180.08 3d7b h GLN 55 N 0.32 0.69 0.00 1.57 4.20 -0.69 -1.78 115.11 119.41 3d7b h GLN 55 Ca -0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3d7b h GLN 55 Cb 1.09 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3d7b h GLN 55 CO 0.10 0.46 -0.05 0.00 -0.67 0.00 0.00 178.83 178.67 3d7b h ALA 56 N 1.64 1.32 0.00 3.87 0.00 -0.92 -2.13 119.26 123.04 3d7b h ALA 56 Ca 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3d7b h ALA 56 Cb 0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3d7b h ALA 56 CO -0.07 0.06 -0.01 0.28 0.00 0.00 0.00 179.25 179.51 3d7b h VAL 57 N 0.00 0.66 0.00 0.00 2.07 -1.31 -1.74 116.25 115.93 3d7b h VAL 57 Ca -0.00 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3d7b h VAL 57 Cb 0.16 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3d7b h VAL 57 CO 0.01 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3d7b n SER 59 N -1.51 2.83 0.00 0.00 3.41 -0.65 -5.01 113.62 112.68 3d7b n SER 59 Ca 0.02 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.49 3d7b n SER 59 Cb 0.09 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3d7b n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d7b n GLN 60 N 0.15 2.53 -2.53 4.33 6.02 -0.24 -4.99 117.38 122.65 3d7b n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 3d7b n GLN 60 Cb 0.45 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.69 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 4.35 3.84 -0.05 -1.09 2.20 -0.94 -4.85 119.74 123.20 3d7b s LYS 61 Ca 0.00 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 3d7b s LYS 61 Cb 0.00 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.41 3d7b s LYS 61 CO 0.00 -1.21 1.35 1.21 -0.36 0.00 0.00 175.35 176.34 3d7b s ASN 62 N 2.54 6.90 0.08 1.43 3.04 -1.26 0.15 114.94 127.82 3d7b s ASN 62 Ca 0.51 1.97 0.02 0.00 0.04 0.00 0.00 52.86 55.40 3d7b s ASN 62 Cb -0.12 -2.55 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 3d7b s ASN 62 CO 0.25 -0.71 -0.07 0.68 -3.04 0.00 0.00 177.10 174.22 3d7b s VAL 63 N 2.70 0.62 0.31 -5.21 -7.23 -0.12 -4.93 120.40 106.53 3d7b s VAL 63 Ca 0.61 -1.72 -0.29 0.00 -1.81 0.00 0.00 61.98 58.77 3d7b s VAL 63 Cb -0.28 -1.41 -0.10 0.00 0.56 0.00 0.00 36.38 35.15 3d7b s VAL 63 CO 0.23 -0.76 1.35 0.00 -0.31 0.00 0.00 175.10 175.61 3d7b s ALA 64 N -3.10 3.53 0.60 1.32 0.00 -1.26 -3.12 121.76 119.73 3d7b s ALA 64 Ca 0.06 1.29 -0.15 0.00 0.00 0.00 0.00 51.96 53.16 3d7b s ALA 64 Cb 0.02 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3d7b s ALA 64 CO -0.04 -0.68 1.05 0.00 0.00 0.00 0.00 175.76 176.08 3d7b h LYS 66 N 0.34 0.36 -0.01 0.00 1.57 -1.92 0.52 116.57 117.43 3d7b h LYS 66 Ca -0.46 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3d7b h LYS 66 Cb 1.21 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.44 3d7b h LYS 66 CO 0.58 0.24 0.00 0.27 -0.57 0.00 0.00 179.45 179.97 3d7b n ASN 67 N -4.46 0.26 0.00 0.86 0.23 -1.26 -4.91 115.26 105.98 3d7b n ASN 67 Ca 0.12 -1.24 0.00 0.00 -0.53 0.00 0.00 54.58 52.93 3d7b n ASN 67 Cb 0.48 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 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 0.95 1.07 3.73 4.83 0.00 0.17 -5.06 105.19 110.89 3d7b n GLY 68 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.56 1.61 0.00 1.61 -1.52 -1.26 -4.76 119.66 114.78 3d7b s GLN 69 Ca 0.00 0.99 0.17 0.00 -1.95 0.00 0.00 55.36 54.58 3d7b s GLN 69 Cb 0.00 -1.84 0.39 0.00 -0.22 0.00 0.00 33.01 31.34 3d7b s GLN 69 CO 0.00 -2.04 1.30 0.25 -0.25 0.00 0.00 175.29 174.55 3d7b n THR 70 N -3.77 0.71 -1.33 -0.19 -2.24 -1.26 -0.83 114.28 105.36 3d7b n THR 70 Ca 0.08 -0.85 -0.26 0.00 -2.27 0.00 0.00 64.05 60.74 3d7b n THR 70 Cb 0.54 0.76 0.13 0.00 -2.10 0.00 0.00 70.33 69.66 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 1.08 5.25 -4.84 3.42 6.94 -1.26 -4.72 115.26 121.13 3d7b n ASN 71 Ca 0.16 -3.71 -0.27 0.00 -0.02 0.00 0.00 54.58 50.74 3d7b n ASN 71 Cb 0.51 -0.85 -0.05 0.00 -2.36 0.00 0.00 39.78 37.02 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 -1.67 -0.01 -0.16 0.00 1.51 0.35 -0.95 117.35 116.43 3d7b s TYR 73 Ca 0.32 0.15 -0.06 0.00 -1.01 0.00 0.00 57.07 56.47 3d7b s TYR 73 Cb -0.11 -0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.56 3d7b s TYR 73 CO 0.25 -0.07 0.06 -1.14 -1.11 0.00 0.00 175.55 173.54 3d7b s GLN 74 N 0.74 3.73 0.29 -0.62 0.74 0.12 -1.32 119.66 123.34 3d7b s GLN 74 Ca -0.06 -0.32 -0.29 0.00 0.05 0.00 0.00 55.36 54.74 3d7b s GLN 74 Cb -0.09 -3.14 -0.10 0.00 1.10 0.00 0.00 33.01 30.78 3d7b s GLN 74 CO -0.02 0.43 1.38 -1.54 -0.55 0.00 0.00 175.29 174.98 3d7b s SER 75 N -0.07 6.70 0.24 6.67 1.04 -0.28 -2.22 113.70 125.79 3d7b s SER 75 Ca 0.07 2.68 0.00 0.00 0.48 0.00 0.00 55.95 59.18 3d7b s SER 75 Cb -0.12 -2.64 0.29 0.00 0.10 0.00 0.00 66.02 63.65 3d7b s SER 75 CO 0.01 -0.63 1.64 1.88 0.98 0.00 0.00 173.24 177.12 3d7b h TYR 76 N 4.24 0.61 -2.56 5.02 0.05 -1.96 -3.43 116.97 118.93 3d7b h TYR 76 Ca -0.47 -0.16 -0.54 0.00 0.05 0.00 0.00 58.73 57.60 3d7b h TYR 76 Cb 1.22 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 38.79 3d7b h TYR 76 CO 0.58 0.81 -0.49 -1.12 -1.05 0.00 0.00 178.16 176.88 3d7b s SER 77 N -6.84 6.07 0.64 3.88 0.01 -1.26 -5.06 113.70 111.14 3d7b s SER 77 Ca -0.07 0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.10 3d7b s SER 77 Cb 0.13 -1.75 -0.01 0.00 0.21 0.00 0.00 66.02 64.59 3d7b s SER 77 CO 0.81 0.05 1.10 0.42 0.41 0.00 0.00 173.24 176.02 3d7b s THR 78 N -1.77 3.38 0.08 1.44 -4.23 -1.26 -4.56 115.64 108.72 3d7b s THR 78 Ca 0.33 0.65 0.05 0.00 -1.18 0.00 0.00 61.69 61.55 3d7b s THR 78 Cb -0.10 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.52 3d7b s THR 78 CO 0.27 -0.38 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.78 3d7b s MET 79 N -4.05 0.86 -0.10 3.99 -1.94 0.91 -4.85 119.30 114.11 3d7b s MET 79 Ca 0.66 -1.02 -0.30 0.00 -1.71 0.00 0.00 55.69 53.33 3d7b s MET 79 Cb -0.20 -0.84 -0.03 0.00 2.01 0.00 0.00 34.83 35.78 3d7b s MET 79 CO 0.40 0.18 1.27 0.45 -0.01 0.00 0.00 175.02 177.31 3d7b s SER 80 N -1.91 6.96 0.11 3.03 0.15 -1.26 -1.86 113.70 118.93 3d7b s SER 80 Ca 0.00 1.81 0.01 0.00 0.70 0.00 0.00 55.95 58.48 3d7b s SER 80 Cb -0.09 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.63 3d7b s SER 80 CO 0.02 -0.70 -0.03 0.27 1.20 0.00 0.00 173.24 174.00 3d7b s ILE 81 N 2.91 0.59 -0.10 6.45 -4.36 -0.37 -0.06 121.20 126.25 3d7b s ILE 81 Ca 0.57 -1.93 -0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3d7b s ILE 81 Cb -0.24 -1.81 0.02 0.00 1.25 0.00 0.00 42.46 41.68 3d7b s ILE 81 CO 0.19 -0.75 -0.07 -0.89 0.24 0.00 0.00 174.94 173.66 3d7b s THR 82 N -3.70 0.91 0.01 8.37 2.01 0.58 -1.59 115.64 122.22 3d7b s THR 82 Ca 0.15 -0.25 -0.18 0.00 0.31 0.00 0.00 61.69 61.73 3d7b s THR 82 Cb 0.06 -0.94 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 3d7b s THR 82 CO -0.03 0.34 0.50 -1.81 -0.69 0.00 0.00 174.62 172.93 3d7b s ASP 83 N 1.53 6.90 -0.19 3.53 1.01 0.42 -0.72 116.67 129.16 3d7b s ASP 83 Ca 0.01 1.07 -0.00 0.00 0.71 0.00 0.00 52.55 54.34 3d7b s ASP 83 Cb -0.13 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.50 3d7b s ASP 83 CO -0.05 0.23 -0.16 0.00 0.21 0.00 0.00 175.17 175.39 3d7b s ARG 85 N 1.32 2.21 0.19 0.00 3.52 -1.02 -1.32 118.95 123.86 3d7b s ARG 85 Ca 0.05 -0.57 -0.32 0.00 -0.13 0.00 0.00 55.73 54.76 3d7b s ARG 85 Cb -0.13 -1.82 -0.11 0.00 -1.56 0.00 0.00 34.95 31.33 3d7b s ARG 85 CO -0.10 0.01 1.65 -2.00 -0.81 0.00 0.00 175.30 174.05 3d7b s GLU 86 N 0.77 4.16 0.78 5.12 2.12 -0.41 -0.83 118.70 130.41 3d7b s GLU 86 Ca -0.11 2.51 -0.11 0.00 0.36 0.00 0.00 54.97 57.62 3d7b s GLU 86 Cb -0.16 -3.10 0.06 0.00 0.26 0.00 0.00 34.13 31.19 3d7b s GLU 86 CO 0.02 -0.69 1.10 0.95 -0.54 0.00 0.00 175.26 176.10 3d7b s THR 87 N 1.12 3.24 0.32 -1.70 -4.23 -0.43 -4.87 115.64 109.09 3d7b s THR 87 Ca 0.72 0.41 0.36 0.00 -1.18 0.00 0.00 61.69 62.00 3d7b s THR 87 Cb -0.47 -2.86 0.39 0.00 1.34 0.00 0.00 72.50 70.89 3d7b s THR 87 CO 0.32 -0.52 2.11 1.23 -0.54 0.00 0.00 174.62 177.22 3d7b h GLY 88 N -1.13 0.00 -1.13 3.99 0.00 -1.93 -2.88 103.07 99.98 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 0.51 0.00 -0.24 -1.14 0.00 0.00 0.00 176.54 175.67 3d7b n SER 89 N -3.19 2.12 -4.70 0.19 3.41 -1.26 -4.97 113.62 105.22 3d7b n SER 89 Ca -0.01 -1.56 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 3d7b n SER 89 Cb 0.23 0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 3d7b n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d7b s SER 90 N -1.93 6.50 -0.15 4.04 0.15 -1.09 -5.00 113.70 116.22 3d7b s SER 90 Ca 0.18 2.68 -0.01 0.00 0.70 0.00 0.00 55.95 59.50 3d7b s SER 90 Cb 0.16 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 3d7b s SER 90 CO 0.38 -0.92 -0.03 -0.54 1.20 0.00 0.00 173.24 173.33 3d7b s LYS 91 N 1.91 1.15 0.22 5.44 -0.14 -1.23 -4.90 119.74 122.20 3d7b s LYS 91 Ca 0.75 -0.38 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 3d7b s LYS 91 Cb -0.45 -1.82 -0.15 0.00 -1.68 0.00 0.00 37.83 33.73 3d7b s LYS 91 CO 0.33 -0.44 1.02 0.98 -0.76 0.00 0.00 175.35 176.48 3d7b n TYR 92 N 4.96 1.06 1.77 3.18 9.36 -1.26 -0.69 117.16 135.54 3d7b n TYR 92 Ca -0.11 0.73 0.15 0.00 3.32 0.00 0.00 57.90 62.00 3d7b n TYR 92 Cb 0.48 -2.22 0.76 0.00 -0.63 0.00 0.00 39.34 37.73 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 1.22 1.24 -2.37 2.98 -0.04 -1.26 -4.97 135.00 131.81 3d7b n PRO 93 Ca 0.13 -0.39 -0.42 0.00 -0.04 0.00 0.00 63.50 62.78 3d7b n PRO 93 Cb 0.27 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.54 5.51 -4.69 3.54 5.03 0.14 -4.98 115.26 119.26 3d7b n ASN 94 Ca 0.22 -3.15 -0.42 0.00 0.87 0.00 0.00 54.58 52.09 3d7b n ASN 94 Cb 0.22 -1.44 -0.03 0.00 -1.02 0.00 0.00 39.78 37.50 3d7b n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3d7b s ALA 96 N 2.19 2.17 0.03 0.00 0.00 -1.26 -4.89 121.76 120.00 3d7b s ALA 96 Ca 0.68 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3d7b s ALA 96 Cb -0.36 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3d7b s ALA 96 CO 0.29 0.53 -0.08 0.71 0.00 0.00 0.00 175.76 177.21 3d7b s TYR 97 N -0.63 0.68 -0.05 0.00 1.51 -1.26 -1.31 117.35 116.28 3d7b s TYR 97 Ca 0.10 -0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 55.57 3d7b s TYR 97 Cb -0.10 -0.41 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 3d7b s TYR 97 CO -0.01 -0.05 0.62 0.21 -1.11 0.00 0.00 175.55 175.21 3d7b s LYS 98 N -1.17 4.38 -0.30 -0.62 2.20 -0.01 -4.64 119.74 119.57 3d7b s LYS 98 Ca -0.06 0.75 -0.12 0.00 -0.36 0.00 0.00 55.97 56.18 3d7b s LYS 98 Cb -0.08 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.81 3d7b s LYS 98 CO 0.00 0.20 0.20 0.99 -0.36 0.00 0.00 175.35 176.39 3d7b s THR 99 N 0.37 5.22 -0.20 3.43 2.01 -1.26 -2.42 115.64 122.79 3d7b s THR 99 Ca 0.33 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3d7b s THR 99 Cb -0.17 -3.58 0.05 0.00 0.01 0.00 0.00 72.50 68.81 3d7b s THR 99 CO 0.16 0.14 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.26 3d7b s THR 100 N 1.73 1.46 0.11 -0.82 2.01 -0.50 -4.98 115.64 114.64 3d7b s THR 100 Ca 0.06 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.88 3d7b s THR 100 Cb -0.17 -1.61 -0.07 0.00 0.01 0.00 0.00 72.50 70.67 3d7b s THR 100 CO 0.10 0.10 0.72 -1.58 -0.69 0.00 0.00 174.62 173.27 3d7b s GLN 101 N 1.47 4.47 0.13 4.92 2.00 -1.26 -0.43 119.66 130.95 3d7b s GLN 101 Ca -0.02 1.03 -0.13 0.00 -2.00 0.00 0.00 55.36 54.25 3d7b s GLN 101 Cb -0.16 -3.29 0.01 0.00 0.80 0.00 0.00 33.01 30.37 3d7b s GLN 101 CO -0.08 0.49 0.33 0.00 -0.50 0.00 0.00 175.29 175.54 3d7b s ALA 102 N -0.78 -0.52 -0.28 1.58 0.00 -0.62 -4.99 121.76 116.15 3d7b s ALA 102 Ca 0.35 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 3d7b s ALA 102 Cb -0.21 0.69 0.05 0.00 0.00 0.00 0.00 23.12 23.64 3d7b s ALA 102 CO 0.23 -0.63 -0.05 -0.80 0.00 0.00 0.00 175.76 174.52 3d7b s ASN 103 N -2.87 4.62 0.11 0.00 0.01 -1.26 -1.24 114.94 114.32 3d7b s ASN 103 Ca 0.07 -1.22 -0.07 0.00 -0.71 0.00 0.00 52.86 50.93 3d7b s ASN 103 Cb 0.03 -1.65 -0.01 0.00 0.41 0.00 0.00 41.25 40.02 3d7b s ASN 103 CO -0.08 -0.21 0.19 -0.54 -1.51 0.00 0.00 177.10 174.95 3d7b s LYS 104 N 1.22 0.93 0.05 -0.60 1.02 -0.78 -4.81 119.74 116.78 3d7b s LYS 104 Ca -0.05 -1.08 -0.30 0.00 0.02 0.00 0.00 55.97 54.55 3d7b s LYS 104 Cb -0.19 0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 37.41 3d7b s LYS 104 CO -0.03 -0.30 1.06 -1.01 -0.92 0.00 0.00 175.35 174.15 3d7b s HIS 105 N -3.91 3.60 0.23 3.18 3.76 -0.09 -0.07 115.29 121.99 3d7b s HIS 105 Ca 0.10 1.57 -0.06 0.00 -0.15 0.00 0.00 55.06 56.53 3d7b s HIS 105 Cb 0.05 -3.22 -0.06 0.00 1.11 0.00 0.00 32.58 30.46 3d7b s HIS 105 CO -0.07 -0.45 0.50 0.96 -0.85 0.00 0.00 174.74 174.84 3d7b s ILE 106 N 0.78 5.04 -0.16 0.60 -4.36 -1.26 -0.74 121.20 121.09 3d7b s ILE 106 Ca 0.53 0.16 0.00 0.00 -0.26 0.00 0.00 60.65 61.09 3d7b s ILE 106 Cb -0.25 -3.67 0.02 0.00 1.25 0.00 0.00 42.46 39.81 3d7b s ILE 106 CO 0.29 -0.15 -0.15 -0.63 0.24 0.00 0.00 174.94 174.54 3d7b s ILE 107 N -1.88 1.68 0.16 8.37 1.01 0.61 -1.13 121.20 130.03 3d7b s ILE 107 Ca 0.44 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.48 3d7b s ILE 107 Cb -0.11 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 3d7b s ILE 107 CO 0.26 0.48 -0.20 0.68 0.00 0.00 0.00 174.94 176.15 3d7b s VAL 108 N 1.44 1.95 -0.12 2.92 -7.23 -0.44 -0.43 120.40 118.50 3d7b s VAL 108 Ca 0.05 -1.88 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 3d7b s VAL 108 Cb -0.13 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.89 3d7b s VAL 108 CO -0.11 -0.21 0.26 0.00 -0.31 0.00 0.00 175.10 174.72 3d7b s ALA 109 N -1.79 3.71 0.05 1.32 0.00 -0.06 -0.49 121.76 124.49 3d7b s ALA 109 Ca 0.15 -0.48 0.09 0.00 0.00 0.00 0.00 51.96 51.72 3d7b s ALA 109 Cb -0.07 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.78 3d7b s ALA 109 CO 0.07 0.35 -0.23 0.00 0.00 0.00 0.00 175.76 175.94 3d7b s GLU 111 N -1.36 0.93 0.00 0.00 2.02 -0.62 -4.90 118.70 114.77 3d7b s GLU 111 Ca 0.13 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.23 3d7b s GLU 111 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.51 3d7b s GLU 111 CO 0.03 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.40 3d7b n GLY 112 N -0.12 0.16 2.82 -1.39 0.00 -1.26 -2.10 105.19 103.30 3d7b n GLY 112 Ca -0.15 -2.00 -0.29 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.41 3.61 0.74 1.61 3.84 -1.26 -2.61 114.94 120.46 3d7b s ASN 113 Ca 0.00 -1.21 -0.12 0.00 0.21 0.00 0.00 52.86 51.74 3d7b s ASN 113 Cb 0.00 -0.92 0.04 0.00 -0.55 0.00 0.00 41.25 39.82 3d7b s ASN 113 CO 0.00 -0.31 1.10 -2.16 -2.79 0.00 0.00 177.10 172.94 3d7b s PRO 114 N 1.58 2.36 -0.56 0.43 0.04 -1.26 -5.10 135.00 132.49 3d7b s PRO 114 Ca 0.00 1.27 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 3d7b s PRO 114 Cb -0.18 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.49 3d7b s PRO 114 CO -0.11 -1.58 1.10 -0.47 0.04 0.00 0.00 177.00 175.98 3d7b s TYR 115 N -2.70 2.69 0.12 0.56 5.04 -1.07 -4.87 117.35 117.11 3d7b s TYR 115 Ca 0.63 0.29 0.03 0.00 -2.44 0.00 0.00 57.07 55.58 3d7b s TYR 115 Cb -0.19 -4.35 -0.04 0.00 0.35 0.00 0.00 41.96 37.73 3d7b s TYR 115 CO 0.52 -1.48 -0.08 0.14 -1.34 0.00 0.00 175.55 173.31 3d7b s VAL 116 N 4.56 0.90 0.26 3.14 -7.23 -0.89 -4.88 120.40 116.25 3d7b s VAL 116 Ca 0.39 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 3d7b s VAL 116 Cb -0.09 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 34.99 3d7b s VAL 116 CO 0.24 -0.82 1.41 -2.84 -0.31 0.00 0.00 175.10 172.78 3d7b s PRO 117 N -3.80 4.29 0.00 4.82 0.02 -1.26 -1.60 135.00 137.47 3d7b s PRO 117 Ca 0.14 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3d7b s PRO 117 Cb 0.04 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.45 3d7b s PRO 117 CO -0.03 -0.38 0.00 1.33 -0.33 0.00 0.00 177.00 177.60 3d7b n VAL 118 N 2.11 0.00 -3.77 3.83 0.24 0.48 -4.43 118.33 116.79 3d7b n VAL 118 Ca 0.06 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 3d7b n VAL 118 Cb 0.41 0.87 -0.11 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.84 -0.31 -0.32 6.34 5.65 -1.13 -4.58 115.29 120.11 3d7b s HIS 119 Ca 0.00 0.75 -0.14 0.00 0.25 0.00 0.00 55.06 55.92 3d7b s HIS 119 Cb 0.00 0.11 -0.02 0.00 -1.18 0.00 0.00 32.58 31.48 3d7b s HIS 119 CO 0.00 -0.16 0.32 0.12 -0.65 0.00 0.00 174.74 174.38 3d7b s PHE 120 N 0.12 3.22 -0.18 3.88 5.36 -1.26 -0.89 117.98 128.23 3d7b s PHE 120 Ca -0.00 0.08 -0.13 0.00 -0.96 0.00 0.00 56.93 55.91 3d7b s PHE 120 Cb -0.02 -2.58 -0.22 0.00 -0.34 0.00 0.00 43.02 39.86 3d7b s PHE 120 CO 0.00 -0.33 0.21 -3.47 -1.46 0.00 0.00 175.22 170.17 3d7b n ASP 121 N 5.29 1.99 -3.65 6.13 2.03 0.43 -4.96 116.55 123.81 3d7b n ASP 121 Ca -0.10 0.29 -0.01 0.00 0.52 0.00 0.00 54.79 55.49 3d7b n ASP 121 Cb 0.50 -0.88 -0.01 0.00 -0.72 0.00 0.00 41.12 40.01 3d7b n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3d7b s ALA 122 N -2.47 -2.06 0.06 -1.67 0.00 -1.04 -4.94 121.76 109.64 3d7b s ALA 122 Ca -0.27 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.39 3d7b s ALA 122 Cb 0.07 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.55 3d7b s ALA 122 CO 0.66 -0.99 -0.15 -1.54 0.00 0.00 0.00 175.76 173.74 3d7b s SER 123 N -2.87 1.82 0.00 0.00 1.04 -1.26 -0.28 113.70 112.15 3d7b s SER 123 Ca 0.13 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.02 3d7b s SER 123 Cb 0.02 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.04 3d7b s SER 123 CO -0.03 0.01 0.04 1.33 0.98 0.00 0.00 173.24 175.57