#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jvt s GLU 2 N 0.00 -0.03 0.57 1.64 2.12 -1.26 -5.14 118.70 116.59 1jvt s GLU 2 Ca 0.00 0.19 -0.17 0.00 0.36 0.00 0.00 54.97 55.34 1jvt s GLU 2 Cb 0.00 -0.24 -0.05 0.00 0.26 0.00 0.00 34.13 34.11 1jvt s GLU 2 CO 0.00 -0.16 1.07 0.95 -0.54 0.00 0.00 175.26 176.58 1jvt s THR 3 N 1.03 3.59 0.25 -1.70 -4.23 -1.26 -4.85 115.64 108.47 1jvt s THR 3 Ca -0.09 0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 1jvt s THR 3 Cb -0.12 -3.33 0.26 0.00 1.34 0.00 0.00 72.50 70.64 1jvt s THR 3 CO -0.03 -0.36 1.66 0.00 -0.54 0.00 0.00 174.62 175.35 1jvt h ALA 4 N 0.77 0.90 -0.56 3.99 0.00 -1.96 0.14 119.26 122.55 1jvt h ALA 4 Ca -0.48 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1jvt h ALA 4 Cb 1.23 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1jvt h ALA 4 CO 0.57 -0.40 0.11 0.00 0.00 0.00 0.00 179.25 179.53 1jvt h ALA 5 N 1.67 0.74 -0.10 0.00 0.00 -1.88 -1.70 119.26 117.99 1jvt h ALA 5 Ca 0.43 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1jvt h ALA 5 Cb 0.76 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1jvt h ALA 5 CO -0.59 0.46 -0.46 0.00 0.00 0.00 0.00 179.25 178.66 1jvt h ALA 6 N 1.00 1.04 -0.25 0.00 0.00 -1.53 -2.61 119.26 116.91 1jvt h ALA 6 Ca 0.17 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1jvt h ALA 6 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1jvt h ALA 6 CO 0.01 0.63 -0.37 -0.22 0.00 0.00 0.00 179.25 179.30 1jvt h LYS 7 N 0.20 0.57 -0.38 0.00 3.64 -0.82 -1.25 116.57 118.52 1jvt h LYS 7 Ca 0.01 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 1jvt h LYS 7 Cb 0.89 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1jvt h LYS 7 CO 0.07 0.85 0.00 0.35 -2.27 0.00 0.00 179.45 178.46 1jvt h PHE 8 N 0.48 0.72 -0.67 1.91 3.04 -1.02 -0.60 116.94 120.80 1jvt h PHE 8 Ca 0.05 -0.13 -0.04 0.00 3.98 0.00 0.00 57.97 61.83 1jvt h PHE 8 Cb 0.86 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.15 1jvt h PHE 8 CO 0.03 0.75 0.24 0.93 -2.02 0.00 0.00 178.31 178.24 1jvt h GLU 9 N 0.48 1.00 -0.48 1.11 5.08 -1.40 0.35 114.58 120.72 1jvt h GLU 9 Ca 0.11 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1jvt h GLU 9 Cb 0.46 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1jvt h GLU 9 CO 0.02 0.83 0.08 -0.09 -1.00 0.00 0.00 179.01 178.85 1jvt h ARG 10 N 0.97 0.79 0.00 2.33 2.43 -0.76 -2.15 114.38 117.99 1jvt h ARG 10 Ca 0.22 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1jvt h ARG 10 Cb 0.23 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1jvt h ARG 10 CO -0.01 0.80 -0.91 1.96 -1.51 0.00 0.00 179.97 180.29 1jvt h GLN 11 N 0.66 0.00 0.00 0.20 4.20 -1.01 -3.43 115.11 115.72 1jvt h GLN 11 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1jvt h GLN 11 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1jvt h GLN 11 CO 0.01 0.00 -0.61 0.72 -0.67 0.00 0.00 178.83 178.28 1jvt n HIS 12 N -2.67 0.00 -3.44 2.96 8.25 0.10 -4.72 115.22 115.70 1jvt n HIS 12 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1jvt n HIS 12 Cb 0.54 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.57 1jvt n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1jvt s MET 13 N -1.45 4.10 -0.40 -0.41 -1.94 -0.81 0.71 119.30 119.09 1jvt s MET 13 Ca 0.00 0.06 0.03 0.00 -1.71 0.00 0.00 55.69 54.07 1jvt s MET 13 Cb 0.00 -3.58 0.16 0.00 2.01 0.00 0.00 34.83 33.42 1jvt s MET 13 CO 0.00 -0.11 0.33 0.34 -0.01 0.00 0.00 175.02 175.57 1jvt s ASP 14 N 1.26 1.60 0.34 3.03 2.15 -0.55 -4.86 116.67 119.65 1jvt s ASP 14 Ca 0.15 -2.86 0.18 0.00 0.43 0.00 0.00 52.55 50.45 1jvt s ASP 14 Cb -0.15 -0.36 0.36 0.00 -0.30 0.00 0.00 42.92 42.47 1jvt s ASP 14 CO 0.08 -0.19 1.58 0.28 -0.17 0.00 0.00 175.17 176.75 1jvt h SER 15 N 5.88 0.00 0.00 -0.34 0.02 -1.76 -3.30 113.55 114.05 1jvt h SER 15 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1jvt h SER 15 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1jvt h SER 15 CO 0.34 0.37 0.05 0.28 -1.14 0.00 0.00 176.83 176.73 1jvt h SER 16 N 0.00 0.00 -4.29 3.07 0.02 -1.94 -3.42 113.55 106.99 1jvt h SER 16 Ca -0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.45 1jvt h SER 16 Cb 1.15 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.43 1jvt h SER 16 CO 0.05 0.00 -0.81 0.42 -1.14 0.00 0.00 176.83 175.35 1jvt s THR 17 N -3.70 1.26 -0.30 -2.27 -4.23 -1.24 -5.03 115.64 100.12 1jvt s THR 17 Ca -0.03 -0.94 0.21 0.00 -1.18 0.00 0.00 61.69 59.75 1jvt s THR 17 Cb 0.08 -1.10 0.15 0.00 1.34 0.00 0.00 72.50 72.96 1jvt s THR 17 CO 0.24 0.15 1.34 0.77 -0.54 0.00 0.00 174.62 176.58 1jvt h SER 18 N 5.17 0.00 -2.48 3.99 4.64 -1.87 -3.42 113.55 119.57 1jvt h SER 18 Ca -0.38 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.84 1jvt h SER 18 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1jvt h SER 18 CO 0.45 0.14 -0.04 0.00 -0.87 0.00 0.00 176.83 176.51 1jvt n ALA 19 N -2.17 -0.21 -2.59 5.18 0.00 -1.26 -4.81 120.51 114.64 1jvt n ALA 19 Ca 0.01 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 1jvt n ALA 19 Cb 0.60 0.52 -0.03 0.00 0.00 0.00 0.00 19.45 20.55 1jvt n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jvt s ALA 20 N -1.99 3.12 0.18 0.00 0.00 -1.26 -4.94 121.76 116.87 1jvt s ALA 20 Ca 0.11 -0.77 -0.25 0.00 0.00 0.00 0.00 51.96 51.05 1jvt s ALA 20 Cb -0.01 -3.86 0.06 0.00 0.00 0.00 0.00 23.12 19.31 1jvt s ALA 20 CO 0.08 -2.36 1.56 0.66 0.00 0.00 0.00 175.76 175.69 1jvt h SER 21 N 9.31 -1.66 -1.33 0.00 4.64 -1.99 -3.47 113.55 119.05 1jvt h SER 21 Ca -0.24 0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1jvt h SER 21 Cb 1.06 0.77 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 1jvt h SER 21 CO 1.12 -0.30 0.05 -1.54 -0.87 0.00 0.00 176.83 175.29 1jvt n SER 22 N -5.38 -0.40 0.27 4.97 3.41 -1.26 -5.02 113.62 110.20 1jvt n SER 22 Ca 0.04 -1.28 0.10 0.00 -0.26 0.00 0.00 58.87 57.47 1jvt n SER 22 Cb 0.34 0.67 0.71 0.00 -0.26 0.00 0.00 64.21 65.66 1jvt n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1jvt h SER 23 N 0.35 0.00 0.40 4.04 4.64 -1.92 -2.33 113.55 118.73 1jvt h SER 23 Ca -0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 1jvt h SER 23 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1jvt h SER 23 CO 0.07 0.01 -0.36 0.78 -0.87 0.00 0.00 176.83 176.46 1jvt h ASN 24 N 0.00 0.00 -0.99 4.97 2.35 -1.95 -3.39 115.58 116.57 1jvt h ASN 24 Ca -0.00 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.86 1jvt h ASN 24 Cb 0.02 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.26 1jvt h ASN 24 CO 0.00 0.36 -0.53 0.00 -1.65 0.00 0.00 177.43 175.62 1jvt n TYR 25 N -4.03 -0.30 -0.23 1.19 9.36 -0.88 -2.56 117.16 119.70 1jvt n TYR 25 Ca -0.02 1.24 -0.06 0.00 3.32 0.00 0.00 57.90 62.38 1jvt n TYR 25 Cb 0.41 -0.66 0.04 0.00 -0.63 0.00 0.00 39.34 38.50 1jvt n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1jvt h ASN 27 N 0.89 1.08 0.05 0.00 2.35 -1.78 0.32 115.58 118.50 1jvt h ASN 27 Ca 0.23 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1jvt h ASN 27 Cb 0.05 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.17 1jvt h ASN 27 CO -0.04 0.77 -0.40 1.56 -1.65 0.00 0.00 177.43 177.67 1jvt h GLN 28 N 1.27 0.19 -0.24 0.81 4.20 -1.37 -3.28 115.11 116.69 1jvt h GLN 28 Ca 0.37 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1jvt h GLN 28 Cb -0.09 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1jvt h GLN 28 CO -0.09 1.07 0.08 0.52 -0.67 0.00 0.00 178.83 179.73 1jvt h MET 29 N -0.55 0.38 -0.78 1.46 2.86 -0.91 0.38 114.93 117.76 1jvt h MET 29 Ca -0.06 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1jvt h MET 29 Cb 1.24 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.79 1jvt h MET 29 CO 0.08 0.45 0.47 0.52 1.06 0.00 0.00 176.91 179.49 1jvt h MET 30 N 0.23 0.84 0.04 1.72 2.86 -1.12 -1.05 114.93 118.45 1jvt h MET 30 Ca 0.08 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1jvt h MET 30 Cb 0.22 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1jvt h MET 30 CO -0.00 0.56 -0.02 -0.22 1.06 0.00 0.00 176.91 178.28 1jvt h LYS 31 N 0.86 -0.05 -0.66 1.72 3.64 -1.58 0.30 116.57 120.81 1jvt h LYS 31 Ca 0.34 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.86 1jvt h LYS 31 Cb 0.17 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.91 1jvt h LYS 31 CO -0.17 0.42 0.17 0.77 -2.27 0.00 0.00 179.45 178.36 1jvt h SER 32 N -0.54 0.05 -0.02 4.20 0.02 -0.71 -0.91 113.55 115.64 1jvt h SER 32 Ca -0.01 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1jvt h SER 32 Cb 0.49 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1jvt h SER 32 CO 0.01 0.01 0.00 0.54 -1.14 0.00 0.00 176.83 176.25 1jvt n ARG 33 N -5.11 1.07 -2.46 3.45 5.12 -0.42 -4.89 116.66 113.42 1jvt n ARG 33 Ca 0.11 -0.11 -0.15 0.00 -1.93 0.00 0.00 57.85 55.77 1jvt n ARG 33 Cb 0.37 -1.31 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1jvt n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1jvt n ASN 34 N -0.69 -4.51 -0.13 0.55 3.02 -0.35 -4.85 115.26 108.31 1jvt n ASN 34 Ca 0.15 -0.08 0.13 0.00 -0.03 0.00 0.00 54.58 54.75 1jvt n ASN 34 Cb 0.09 -3.56 0.42 0.00 -0.61 0.00 0.00 39.78 36.13 1jvt n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1jvt n LEU 35 N -2.35 0.66 -1.96 3.41 4.77 0.11 -3.53 117.00 118.11 1jvt n LEU 35 Ca -0.14 -0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.55 1jvt n LEU 35 Cb 0.61 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.53 1jvt n LEU 35 CO 0.24 0.13 0.22 0.35 -1.33 0.00 0.00 177.39 177.00 1jvt n THR 36 N -1.02 2.54 -0.02 -5.08 -2.24 -1.12 -2.73 114.28 104.61 1jvt n THR 36 Ca 0.11 -4.14 -0.22 0.00 -2.27 0.00 0.00 64.05 57.53 1jvt n THR 36 Cb 0.33 -1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 67.33 1jvt n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jvt h LYS 37 N 2.12 0.18 -0.01 -0.78 3.64 -1.88 -3.41 116.57 116.43 1jvt h LYS 37 Ca 0.36 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1jvt h LYS 37 Cb 1.50 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1jvt h LYS 37 CO 0.74 1.15 -0.21 -0.25 -2.27 0.00 0.00 179.45 178.61 1jvt n ASP 38 N -3.90 1.24 0.00 4.20 8.00 -1.26 -5.05 116.55 119.78 1jvt n ASP 38 Ca -0.30 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1jvt n ASP 38 Cb 0.90 0.46 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 1jvt n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1jvt n ARG 39 N -0.24 -1.03 -3.15 -1.24 1.85 -1.26 -5.09 116.66 106.49 1jvt n ARG 39 Ca 0.04 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.47 1jvt n ARG 39 Cb 0.22 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.56 1jvt n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jvt s LYS 41 N 2.64 4.14 0.16 0.00 2.20 -1.10 -4.85 119.74 122.92 1jvt s LYS 41 Ca 0.22 2.61 -0.24 0.00 -0.36 0.00 0.00 55.97 58.20 1jvt s LYS 41 Cb -0.15 -3.71 0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1jvt s LYS 41 CO 0.15 -0.87 1.60 -1.35 -0.36 0.00 0.00 175.35 174.53 1jvt h PRO 42 N 9.01 -0.27 -3.92 4.03 0.11 -1.94 -3.45 132.00 135.58 1jvt h PRO 42 Ca -0.47 0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 1jvt h PRO 42 Cb 1.22 0.06 -0.20 0.00 0.11 0.00 0.00 31.00 32.19 1jvt h PRO 42 CO 0.95 -0.18 -0.66 0.14 -0.21 0.00 0.00 178.00 178.03 1jvt s VAL 43 N -6.00 0.11 -0.17 3.15 -7.23 -1.26 -1.49 120.40 107.51 1jvt s VAL 43 Ca -0.15 -0.93 -0.25 0.00 -1.81 0.00 0.00 61.98 58.84 1jvt s VAL 43 Cb 0.13 -0.38 0.06 0.00 0.56 0.00 0.00 36.38 36.76 1jvt s VAL 43 CO 0.67 -0.51 0.65 0.21 -0.31 0.00 0.00 175.10 175.81 1jvt s ASN 44 N -1.55 -0.66 -0.07 4.85 2.47 0.35 -5.00 114.94 115.33 1jvt s ASN 44 Ca -0.14 1.07 0.04 0.00 0.42 0.00 0.00 52.86 54.24 1jvt s ASN 44 Cb -0.08 1.03 -0.02 0.00 -1.45 0.00 0.00 41.25 40.73 1jvt s ASN 44 CO -0.01 -0.37 -0.18 -0.89 -3.72 0.00 0.00 177.10 171.93 1jvt s THR 45 N -0.25 2.70 -0.08 -5.21 2.01 -1.26 -0.05 115.64 113.50 1jvt s THR 45 Ca -0.04 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.14 1jvt s THR 45 Cb -0.03 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1jvt s THR 45 CO 0.04 0.57 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.05 1jvt s PHE 46 N -0.27 2.77 -0.24 4.92 0.08 -0.24 -4.42 117.98 120.58 1jvt s PHE 46 Ca 0.01 -0.32 -0.08 0.00 0.12 0.00 0.00 56.93 56.66 1jvt s PHE 46 Cb -0.13 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1jvt s PHE 46 CO 0.03 0.05 0.08 0.08 -0.10 0.00 0.00 175.22 175.36 1jvt s VAL 47 N -0.33 4.54 -1.10 -0.44 1.01 0.22 -0.57 120.40 123.73 1jvt s VAL 47 Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1jvt s VAL 47 Cb -0.13 -3.11 0.29 0.00 0.00 0.00 0.00 36.38 33.43 1jvt s VAL 47 CO 0.02 0.35 1.63 1.41 0.00 0.00 0.00 175.10 178.52 1jvt n HIS 48 N 4.65 2.41 -4.18 5.22 -0.00 -0.45 -1.48 115.22 121.40 1jvt n HIS 48 Ca -0.16 -2.60 -0.11 0.00 -0.00 0.00 0.00 57.72 54.86 1jvt n HIS 48 Cb 0.52 -1.34 -0.10 0.00 -0.00 0.00 0.00 29.99 29.06 1jvt n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1jvt s GLU 49 N -2.65 1.01 0.79 -0.41 0.41 -1.26 -4.58 118.70 112.02 1jvt s GLU 49 Ca 0.34 -1.50 -0.11 0.00 -0.41 0.00 0.00 54.97 53.30 1jvt s GLU 49 Cb 0.09 0.16 0.07 0.00 -1.78 0.00 0.00 34.13 32.67 1jvt s GLU 49 CO 0.05 -0.27 1.09 -1.54 -0.49 0.00 0.00 175.26 174.10 1jvt s SER 50 N -3.09 4.30 0.23 -0.19 1.04 -1.26 -4.35 113.70 110.38 1jvt s SER 50 Ca 0.27 1.80 -0.02 0.00 0.48 0.00 0.00 55.95 58.48 1jvt s SER 50 Cb 0.07 -2.48 0.24 0.00 0.10 0.00 0.00 66.02 63.95 1jvt s SER 50 CO 0.04 -2.16 1.63 0.25 0.98 0.00 0.00 173.24 173.98 1jvt h LEU 51 N -1.22 0.65 -1.13 2.42 5.85 -1.99 -2.23 115.31 117.65 1jvt h LEU 51 Ca -0.44 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.01 1jvt h LEU 51 Cb 1.24 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.05 1jvt h LEU 51 CO 0.51 0.92 0.40 0.00 -0.34 0.00 0.00 178.44 179.93 1jvt h ALA 52 N 1.12 1.34 -0.42 1.25 0.00 -1.99 -0.75 119.26 119.81 1jvt h ALA 52 Ca 0.06 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1jvt h ALA 52 Cb 0.80 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jvt h ALA 52 CO 0.07 0.54 -0.12 -0.44 0.00 0.00 0.00 179.25 179.30 1jvt h ASP 53 N 1.01 0.84 -0.51 0.00 5.19 -1.83 -2.24 116.42 118.87 1jvt h ASP 53 Ca 0.26 -0.37 -0.11 0.00 -0.62 0.00 0.00 57.03 56.19 1jvt h ASP 53 Cb 0.02 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.29 1jvt h ASP 53 CO -0.04 1.02 -0.10 0.58 -3.12 0.00 0.00 179.24 177.57 1jvt h VAL 54 N 0.65 1.27 -0.22 -1.35 2.07 -1.05 -3.13 116.25 114.49 1jvt h VAL 54 Ca 0.10 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 1jvt h VAL 54 Cb 0.66 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1jvt h VAL 54 CO 0.05 0.44 -0.10 1.56 0.02 0.00 0.00 177.57 179.53 1jvt h GLN 55 N 0.84 0.35 0.00 1.57 4.20 -1.13 -1.29 115.11 119.64 1jvt h GLN 55 Ca 0.13 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1jvt h GLN 55 Cb 0.66 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1jvt h GLN 55 CO 0.05 0.46 0.00 0.00 -0.67 0.00 0.00 178.83 178.67 1jvt h ALA 56 N 1.57 1.00 0.00 3.87 0.00 -1.35 -2.06 119.26 122.29 1jvt h ALA 56 Ca 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jvt h ALA 56 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jvt h ALA 56 CO 0.02 0.00 -0.01 0.28 0.00 0.00 0.00 179.25 179.54 1jvt h VAL 57 N 0.00 0.42 0.00 0.00 2.07 -1.23 -1.52 116.25 116.00 1jvt h VAL 57 Ca 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1jvt h VAL 57 Cb 0.24 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jvt h VAL 57 CO 0.00 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1jvt n SER 59 N -1.47 2.77 0.00 0.00 3.41 -0.57 -4.99 113.62 112.77 1jvt n SER 59 Ca 0.04 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1jvt n SER 59 Cb 0.17 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1jvt n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jvt n GLN 60 N 0.41 2.70 -2.52 4.33 6.02 0.22 -4.97 117.38 123.57 1jvt n GLN 60 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.66 1jvt n GLN 60 Cb 0.40 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.64 1jvt n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1jvt s LYS 61 N 2.28 3.74 -0.01 -1.09 2.20 -0.71 -4.84 119.74 121.30 1jvt s LYS 61 Ca 0.00 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 56.11 1jvt s LYS 61 Cb 0.00 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 1jvt s LYS 61 CO 0.00 -1.35 1.26 1.21 -0.36 0.00 0.00 175.35 176.11 1jvt s ASN 62 N 2.81 6.99 0.14 1.43 3.04 -1.26 0.12 114.94 128.21 1jvt s ASN 62 Ca 0.52 1.96 -0.00 0.00 0.04 0.00 0.00 52.86 55.38 1jvt s ASN 62 Cb -0.10 -2.56 -0.04 0.00 -1.54 0.00 0.00 41.25 37.00 1jvt s ASN 62 CO 0.29 -0.60 0.04 0.68 -3.04 0.00 0.00 177.10 174.47 1jvt s VAL 63 N 1.99 0.24 0.29 -5.21 -7.23 0.52 -4.91 120.40 106.08 1jvt s VAL 63 Ca 0.59 -1.93 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 1jvt s VAL 63 Cb -0.28 -2.06 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 1jvt s VAL 63 CO 0.25 -0.47 1.16 0.00 -0.31 0.00 0.00 175.10 175.73 1jvt s ALA 64 N -3.95 3.43 0.60 1.32 0.00 -1.26 -3.33 121.76 118.58 1jvt s ALA 64 Ca 0.24 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 1jvt s ALA 64 Cb 0.07 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1jvt s ALA 64 CO 0.02 -0.30 1.00 0.00 0.00 0.00 0.00 175.76 176.47 1jvt h LYS 66 N -0.25 0.16 -0.14 0.00 1.57 -1.92 -0.61 116.57 115.38 1jvt h LYS 66 Ca -0.44 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1jvt h LYS 66 Cb 1.19 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.47 1jvt h LYS 66 CO 0.62 0.11 0.00 0.27 -0.57 0.00 0.00 179.45 179.88 1jvt n ASN 67 N -4.44 0.88 0.00 0.86 6.94 -1.26 -4.90 115.26 113.34 1jvt n ASN 67 Ca 0.08 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 1jvt n ASN 67 Cb 0.44 -0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1jvt n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jvt n GLY 68 N 0.84 1.87 3.81 4.83 0.00 -0.24 -5.04 105.19 111.26 1jvt n GLY 68 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1jvt n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jvt s GLN 69 N -0.44 2.79 -0.00 1.61 -0.21 -1.26 -4.77 119.66 117.38 1jvt s GLN 69 Ca 0.00 1.00 0.18 0.00 0.02 0.00 0.00 55.36 56.56 1jvt s GLN 69 Cb 0.00 -1.97 0.52 0.00 1.00 0.00 0.00 33.01 32.56 1jvt s GLN 69 CO 0.00 -1.22 1.43 0.25 -2.12 0.00 0.00 175.29 173.63 1jvt n THR 70 N -3.22 1.01 -0.66 -0.19 -2.24 -1.26 -1.31 114.28 106.41 1jvt n THR 70 Ca 0.08 -1.00 -0.18 0.00 -2.27 0.00 0.00 64.05 60.67 1jvt n THR 70 Cb 0.53 0.49 0.09 0.00 -2.10 0.00 0.00 70.33 69.35 1jvt n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jvt n ASN 71 N 1.20 4.80 -4.69 3.42 6.94 -1.26 -4.70 115.26 120.98 1jvt n ASN 71 Ca 0.20 -3.13 -0.31 0.00 -0.02 0.00 0.00 54.58 51.32 1jvt n ASN 71 Cb 0.55 -0.84 -0.08 0.00 -2.36 0.00 0.00 39.78 37.05 1jvt n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1jvt s TYR 73 N -1.20 0.35 -0.13 0.00 1.51 0.10 -0.36 117.35 117.62 1jvt s TYR 73 Ca 0.23 -0.06 -0.03 0.00 -1.01 0.00 0.00 57.07 56.19 1jvt s TYR 73 Cb -0.12 -0.23 -0.03 0.00 -0.11 0.00 0.00 41.96 41.47 1jvt s TYR 73 CO 0.14 -0.01 -0.01 -1.14 -1.11 0.00 0.00 175.55 173.43 1jvt s GLN 74 N -0.04 3.38 0.18 -0.62 0.74 0.33 -1.49 119.66 122.15 1jvt s GLN 74 Ca 0.01 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.67 1jvt s GLN 74 Cb -0.02 -2.89 -0.08 0.00 1.10 0.00 0.00 33.01 31.11 1jvt s GLN 74 CO -0.00 0.46 1.27 -1.54 -0.55 0.00 0.00 175.29 174.93 1jvt s SER 75 N -0.23 6.96 0.36 6.67 1.04 -0.55 -1.74 113.70 126.21 1jvt s SER 75 Ca 0.05 2.33 0.07 0.00 0.48 0.00 0.00 55.95 58.88 1jvt s SER 75 Cb -0.12 -2.61 0.68 0.00 0.10 0.00 0.00 66.02 64.07 1jvt s SER 75 CO 0.02 -0.48 1.89 1.88 0.98 0.00 0.00 173.24 177.53 1jvt h TYR 76 N 5.45 0.40 -1.95 5.02 0.05 -1.96 -3.43 116.97 120.55 1jvt h TYR 76 Ca -0.44 -0.04 -0.57 0.00 0.05 0.00 0.00 58.73 57.73 1jvt h TYR 76 Cb 1.21 -0.11 -0.10 0.00 1.01 0.00 0.00 36.73 38.75 1jvt h TYR 76 CO 0.62 0.46 -0.60 -1.54 -1.05 0.00 0.00 178.16 176.06 1jvt s SER 77 N -6.81 4.40 0.44 3.88 1.04 -1.26 -5.06 113.70 110.33 1jvt s SER 77 Ca -0.06 -0.86 -0.23 0.00 0.48 0.00 0.00 55.95 55.27 1jvt s SER 77 Cb 0.15 -0.64 -0.08 0.00 0.10 0.00 0.00 66.02 65.55 1jvt s SER 77 CO 0.75 -0.22 1.09 0.42 0.98 0.00 0.00 173.24 176.26 1jvt s THR 78 N -2.46 3.49 0.28 2.02 -4.23 -1.26 -4.47 115.64 109.01 1jvt s THR 78 Ca 0.35 1.10 0.10 0.00 -1.18 0.00 0.00 61.69 62.06 1jvt s THR 78 Cb -0.02 -3.54 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 1jvt s THR 78 CO 0.20 -0.04 -0.15 -0.04 -0.54 0.00 0.00 174.62 174.06 1jvt s MET 79 N -2.69 1.62 -0.15 3.99 -1.94 0.60 -4.84 119.30 115.90 1jvt s MET 79 Ca 0.62 -1.77 -0.25 0.00 -1.71 0.00 0.00 55.69 52.58 1jvt s MET 79 Cb -0.24 -1.56 -0.02 0.00 2.01 0.00 0.00 34.83 35.03 1jvt s MET 79 CO 0.29 0.23 0.82 0.45 -0.01 0.00 0.00 175.02 176.81 1jvt s SER 80 N -3.48 6.98 0.11 3.03 0.15 -1.26 -1.64 113.70 117.58 1jvt s SER 80 Ca 0.29 1.20 0.02 0.00 0.70 0.00 0.00 55.95 58.15 1jvt s SER 80 Cb -0.02 -2.45 -0.04 0.00 -1.71 0.00 0.00 66.02 61.80 1jvt s SER 80 CO 0.13 -0.36 -0.05 0.27 1.20 0.00 0.00 173.24 174.43 1jvt s ILE 81 N 1.96 0.67 -0.10 6.45 -4.36 -0.28 -1.33 121.20 124.21 1jvt s ILE 81 Ca 0.39 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.84 1jvt s ILE 81 Cb -0.17 -1.79 0.02 0.00 1.25 0.00 0.00 42.46 41.78 1jvt s ILE 81 CO 0.14 -0.78 -0.09 -0.89 0.24 0.00 0.00 174.94 173.56 1jvt s THR 82 N -3.64 1.10 -0.16 8.37 2.01 0.27 -1.69 115.64 121.90 1jvt s THR 82 Ca 0.15 -0.37 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 1jvt s THR 82 Cb 0.05 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1jvt s THR 82 CO -0.03 0.37 0.47 -1.81 -0.69 0.00 0.00 174.62 172.93 1jvt s ASP 83 N 1.42 6.60 -0.28 3.53 1.01 0.23 -1.07 116.67 128.11 1jvt s ASP 83 Ca -0.00 0.71 -0.04 0.00 0.71 0.00 0.00 52.55 53.93 1jvt s ASP 83 Cb -0.13 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.55 1jvt s ASP 83 CO -0.05 -0.06 0.02 0.00 0.21 0.00 0.00 175.17 175.29 1jvt s ARG 85 N 1.39 2.65 0.53 0.00 3.52 -1.10 -0.50 118.95 125.45 1jvt s ARG 85 Ca 0.00 -0.73 -0.22 0.00 -0.13 0.00 0.00 55.73 54.65 1jvt s ARG 85 Cb -0.18 -2.10 -0.05 0.00 -1.56 0.00 0.00 34.95 31.06 1jvt s ARG 85 CO -0.00 0.07 1.33 -2.00 -0.81 0.00 0.00 175.30 173.88 1jvt s GLU 86 N 0.62 3.25 0.05 5.12 2.12 -0.56 -0.83 118.70 128.46 1jvt s GLU 86 Ca -0.13 2.17 0.01 0.00 0.36 0.00 0.00 54.97 57.38 1jvt s GLU 86 Cb -0.17 -2.29 0.01 0.00 0.26 0.00 0.00 34.13 31.94 1jvt s GLU 86 CO 0.04 -1.09 0.07 0.25 -0.54 0.00 0.00 175.26 173.99 1jvt n THR 87 N -0.92 0.00 -0.04 -1.70 -2.24 0.68 -4.81 114.28 105.24 1jvt n THR 87 Ca 0.10 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 1jvt n THR 87 Cb 0.45 -1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 67.58 1jvt n THR 87 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1jvt h GLY 88 N -0.00 -0.04 1.06 3.38 0.00 -1.96 -3.28 103.07 102.23 1jvt h GLY 88 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1jvt h GLY 88 CO 0.03 -0.01 0.00 -1.14 0.00 0.00 0.00 176.54 175.42 1jvt n SER 89 N -4.72 0.00 -4.59 0.19 3.41 -1.26 -4.63 113.62 102.03 1jvt n SER 89 Ca -0.07 -0.57 -0.42 0.00 -0.26 0.00 0.00 58.87 57.55 1jvt n SER 89 Cb 0.31 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1jvt n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1jvt s SER 90 N -2.06 5.58 -0.08 4.04 0.15 -1.24 -4.84 113.70 115.25 1jvt s SER 90 Ca 0.30 1.29 0.01 0.00 0.70 0.00 0.00 55.95 58.24 1jvt s SER 90 Cb 0.14 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.95 1jvt s SER 90 CO 0.24 -1.96 -0.08 -0.54 1.20 0.00 0.00 173.24 172.11 1jvt s LYS 91 N 6.24 1.35 0.34 5.44 -0.14 -0.31 -4.79 119.74 127.86 1jvt s LYS 91 Ca 0.84 -0.24 -0.29 0.00 -1.36 0.00 0.00 55.97 54.93 1jvt s LYS 91 Cb -0.23 -1.32 -0.12 0.00 -1.68 0.00 0.00 37.83 34.48 1jvt s LYS 91 CO 0.32 -0.14 1.49 0.98 -0.76 0.00 0.00 175.35 177.23 1jvt n TYR 92 N 4.44 2.80 1.83 3.18 9.36 -1.26 0.17 117.16 137.68 1jvt n TYR 92 Ca -0.18 0.40 0.02 0.00 3.32 0.00 0.00 57.90 61.46 1jvt n TYR 92 Cb 0.51 -2.53 0.07 0.00 -0.63 0.00 0.00 39.34 36.76 1jvt n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1jvt n PRO 93 N 1.12 1.13 -3.07 2.98 -0.04 -1.26 -4.97 135.00 130.89 1jvt n PRO 93 Ca 0.05 -0.20 -0.43 0.00 -0.04 0.00 0.00 63.50 62.88 1jvt n PRO 93 Cb 0.37 -1.07 0.01 0.00 -0.04 0.00 0.00 33.50 32.77 1jvt n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jvt n ASN 94 N -0.36 6.24 -4.76 3.54 4.13 0.45 -5.02 115.26 119.48 1jvt n ASN 94 Ca 0.03 -3.34 -0.40 0.00 1.68 0.00 0.00 54.58 52.55 1jvt n ASN 94 Cb 0.05 -1.29 -0.03 0.00 -1.54 0.00 0.00 39.78 36.97 1jvt n ASN 94 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jvt s ALA 96 N -1.12 0.84 0.20 0.00 0.00 -1.26 -4.89 121.76 115.52 1jvt s ALA 96 Ca 0.47 -0.42 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1jvt s ALA 96 Cb -0.36 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.49 1jvt s ALA 96 CO 0.47 0.20 -0.10 0.71 0.00 0.00 0.00 175.76 177.03 1jvt s TYR 97 N -0.19 1.58 -0.22 0.00 1.51 -1.26 -0.23 117.35 118.54 1jvt s TYR 97 Ca 0.03 -0.69 -0.04 0.00 -1.01 0.00 0.00 57.07 55.37 1jvt s TYR 97 Cb -0.04 -0.79 -0.00 0.00 -0.11 0.00 0.00 41.96 41.01 1jvt s TYR 97 CO -0.00 0.22 -0.05 0.21 -1.11 0.00 0.00 175.55 174.81 1jvt s LYS 98 N -3.71 3.30 -0.08 -0.62 2.20 -0.01 -4.74 119.74 116.08 1jvt s LYS 98 Ca 0.22 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 1jvt s LYS 98 Cb 0.02 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 1jvt s LYS 98 CO 0.06 -0.22 0.96 0.99 -0.36 0.00 0.00 175.35 176.77 1jvt s THR 99 N 1.46 4.84 -0.17 3.43 2.01 -1.26 -2.69 115.64 123.26 1jvt s THR 99 Ca 0.05 1.96 -0.03 0.00 0.31 0.00 0.00 61.69 63.99 1jvt s THR 99 Cb -0.14 -4.28 0.05 0.00 0.01 0.00 0.00 72.50 68.14 1jvt s THR 99 CO -0.04 0.07 0.04 -0.89 -0.69 0.00 0.00 174.62 173.11 1jvt s THR 100 N 1.62 0.42 0.27 -0.82 2.01 0.62 -4.94 115.64 114.82 1jvt s THR 100 Ca 0.48 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.97 1jvt s THR 100 Cb -0.19 -0.88 -0.08 0.00 0.01 0.00 0.00 72.50 71.36 1jvt s THR 100 CO 0.21 -0.13 0.63 -1.58 -0.69 0.00 0.00 174.62 173.06 1jvt s GLN 101 N 1.91 3.91 0.06 4.92 2.00 -1.26 0.78 119.66 131.98 1jvt s GLN 101 Ca 0.01 0.47 -0.27 0.00 -2.00 0.00 0.00 55.36 53.56 1jvt s GLN 101 Cb -0.16 -2.57 0.10 0.00 0.80 0.00 0.00 33.01 31.18 1jvt s GLN 101 CO -0.08 0.26 1.17 0.00 -0.50 0.00 0.00 175.29 176.14 1jvt s ALA 102 N -1.87 -2.02 -0.21 1.58 0.00 -0.68 -4.94 121.76 113.62 1jvt s ALA 102 Ca 0.50 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.77 1jvt s ALA 102 Cb -0.11 0.57 0.04 0.00 0.00 0.00 0.00 23.12 23.62 1jvt s ALA 102 CO 0.19 -1.07 -0.10 -0.80 0.00 0.00 0.00 175.76 173.98 1jvt s ASN 103 N -3.15 3.54 0.14 0.00 0.01 -1.26 -1.12 114.94 113.09 1jvt s ASN 103 Ca 0.17 -0.96 -0.06 0.00 -0.71 0.00 0.00 52.86 51.30 1jvt s ASN 103 Cb 0.01 -1.28 -0.02 0.00 0.41 0.00 0.00 41.25 40.38 1jvt s ASN 103 CO -0.00 -0.15 0.18 -0.54 -1.51 0.00 0.00 177.10 175.08 1jvt s LYS 104 N 1.36 1.02 0.41 -0.60 1.02 -0.65 -4.80 119.74 117.49 1jvt s LYS 104 Ca -0.02 -1.23 -0.24 0.00 0.02 0.00 0.00 55.97 54.50 1jvt s LYS 104 Cb -0.17 0.32 -0.09 0.00 -0.52 0.00 0.00 37.83 37.38 1jvt s LYS 104 CO -0.08 -0.34 1.09 -1.01 -0.92 0.00 0.00 175.35 174.10 1jvt s HIS 105 N -3.98 3.16 0.17 3.18 3.76 0.25 -0.29 115.29 121.55 1jvt s HIS 105 Ca 0.17 1.61 0.07 0.00 -0.15 0.00 0.00 55.06 56.76 1jvt s HIS 105 Cb 0.05 -3.22 -0.04 0.00 1.11 0.00 0.00 32.58 30.48 1jvt s HIS 105 CO -0.01 -0.90 0.04 0.96 -0.85 0.00 0.00 174.74 173.97 1jvt s ILE 106 N -1.60 3.95 -0.13 0.60 -4.36 -1.26 -1.00 121.20 117.40 1jvt s ILE 106 Ca 0.59 -1.32 0.01 0.00 -0.26 0.00 0.00 60.65 59.67 1jvt s ILE 106 Cb -0.25 -2.99 0.02 0.00 1.25 0.00 0.00 42.46 40.49 1jvt s ILE 106 CO 0.31 -0.11 -0.15 -0.63 0.24 0.00 0.00 174.94 174.60 1jvt s ILE 107 N -1.73 1.59 0.15 8.37 1.01 0.14 -1.49 121.20 129.25 1jvt s ILE 107 Ca 0.28 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.33 1jvt s ILE 107 Cb -0.10 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1jvt s ILE 107 CO 0.20 0.46 -0.15 0.68 0.00 0.00 0.00 174.94 176.13 1jvt s VAL 108 N 1.22 1.53 -0.15 2.92 -7.23 -0.56 -0.12 120.40 118.02 1jvt s VAL 108 Ca -0.01 -1.92 -0.07 0.00 -1.81 0.00 0.00 61.98 58.17 1jvt s VAL 108 Cb -0.14 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1jvt s VAL 108 CO -0.06 -0.47 0.10 0.00 -0.31 0.00 0.00 175.10 174.36 1jvt s ALA 109 N -2.43 3.64 0.32 1.32 0.00 0.18 0.01 121.76 124.80 1jvt s ALA 109 Ca 0.15 -0.70 0.10 0.00 0.00 0.00 0.00 51.96 51.51 1jvt s ALA 109 Cb -0.03 -1.95 -0.06 0.00 0.00 0.00 0.00 23.12 21.08 1jvt s ALA 109 CO 0.05 0.38 -0.13 0.00 0.00 0.00 0.00 175.76 176.06 1jvt s GLU 111 N -3.58 0.03 0.00 0.00 -1.05 -0.96 -4.89 118.70 108.25 1jvt s GLU 111 Ca 0.32 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 1jvt s GLU 111 Cb -0.01 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.69 1jvt s GLU 111 CO 0.16 -0.01 0.00 0.41 0.95 0.00 0.00 175.26 176.77 1jvt n GLY 112 N -0.05 -3.29 2.65 -3.83 0.00 -1.26 -2.37 105.19 97.04 1jvt n GLY 112 Ca 0.04 -2.12 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 1jvt n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jvt s ASN 113 N -1.26 2.64 0.76 1.61 2.47 -1.26 -2.34 114.94 117.57 1jvt s ASN 113 Ca 0.00 -0.74 -0.12 0.00 0.42 0.00 0.00 52.86 52.42 1jvt s ASN 113 Cb 0.00 -0.38 0.06 0.00 -1.45 0.00 0.00 41.25 39.47 1jvt s ASN 113 CO 0.00 -0.34 1.11 -2.16 -3.72 0.00 0.00 177.10 171.99 1jvt s PRO 114 N 2.03 2.19 -0.62 0.43 0.04 -1.26 -5.07 135.00 132.73 1jvt s PRO 114 Ca 0.01 1.32 -0.27 0.00 0.04 0.00 0.00 61.00 62.11 1jvt s PRO 114 Cb -0.16 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1jvt s PRO 114 CO -0.10 -1.72 1.47 -0.47 0.04 0.00 0.00 177.00 176.22 1jvt s TYR 115 N -2.66 2.14 0.22 0.56 5.04 -0.99 -4.86 117.35 116.81 1jvt s TYR 115 Ca 0.64 0.38 0.10 0.00 -2.44 0.00 0.00 57.07 55.75 1jvt s TYR 115 Cb -0.20 -4.40 -0.05 0.00 0.35 0.00 0.00 41.96 37.67 1jvt s TYR 115 CO 0.52 -2.09 -0.19 0.14 -1.34 0.00 0.00 175.55 172.59 1jvt s VAL 116 N 6.62 2.10 0.30 3.14 -7.23 -1.00 -4.80 120.40 119.54 1jvt s VAL 116 Ca 0.50 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.19 1jvt s VAL 116 Cb -0.10 -2.10 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 1jvt s VAL 116 CO 0.21 -0.40 1.37 -2.84 -0.31 0.00 0.00 175.10 173.13 1jvt s PRO 117 N -3.28 4.30 0.00 4.82 0.02 -1.26 -2.26 135.00 137.34 1jvt s PRO 117 Ca 0.23 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1jvt s PRO 117 Cb -0.04 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1jvt s PRO 117 CO 0.10 -0.31 0.00 1.33 -0.33 0.00 0.00 177.00 177.79 1jvt n VAL 118 N 1.39 0.00 -3.70 3.83 0.24 -0.42 -4.40 118.33 115.28 1jvt n VAL 118 Ca 0.03 -0.15 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 1jvt n VAL 118 Cb 0.41 0.64 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 1jvt n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1jvt s HIS 119 N -0.97 -0.58 -0.29 6.34 5.65 -1.15 -4.64 115.29 119.65 1jvt s HIS 119 Ca 0.00 1.36 -0.20 0.00 0.25 0.00 0.00 55.06 56.47 1jvt s HIS 119 Cb 0.00 0.23 -0.01 0.00 -1.18 0.00 0.00 32.58 31.62 1jvt s HIS 119 CO 0.00 -0.29 0.63 0.12 -0.65 0.00 0.00 174.74 174.55 1jvt s PHE 120 N 0.56 3.23 -0.19 3.88 5.36 -1.26 -0.65 117.98 128.91 1jvt s PHE 120 Ca -0.02 0.65 -0.11 0.00 -0.96 0.00 0.00 56.93 56.48 1jvt s PHE 120 Cb -0.04 -2.95 -0.21 0.00 -0.34 0.00 0.00 43.02 39.47 1jvt s PHE 120 CO -0.03 -0.44 0.13 -3.47 -1.46 0.00 0.00 175.22 169.96 1jvt n ASP 121 N 5.84 2.00 -3.59 6.13 2.03 0.83 -4.95 116.55 124.84 1jvt n ASP 121 Ca -0.01 0.25 -0.01 0.00 0.52 0.00 0.00 54.79 55.54 1jvt n ASP 121 Cb 0.49 -0.83 0.01 0.00 -0.72 0.00 0.00 41.12 40.07 1jvt n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jvt s ALA 122 N -2.48 -1.94 -0.01 -1.67 0.00 -1.01 -4.94 121.76 109.72 1jvt s ALA 122 Ca -0.29 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.73 1jvt s ALA 122 Cb 0.08 0.68 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1jvt s ALA 122 CO 0.65 -1.08 0.01 -1.54 0.00 0.00 0.00 175.76 173.80 1jvt s SER 123 N -3.32 0.07 0.00 0.00 1.04 -1.26 0.27 113.70 110.50 1jvt s SER 123 Ca 0.20 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1jvt s SER 123 Cb -0.00 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.08 1jvt s SER 123 CO 0.01 -0.04 0.00 1.33 0.98 0.00 0.00 173.24 175.53