#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkk s VAL 7 N 0.00 4.96 0.23 1.55 1.01 -1.26 -4.79 120.40 122.10 1vkk s VAL 7 Ca 0.00 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.74 1vkk s VAL 7 Cb 0.00 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 1vkk s VAL 7 CO 0.00 0.49 0.86 0.00 0.00 0.00 0.00 175.10 176.45 1vkk s GLU 9 N -1.49 2.90 -0.18 0.00 2.02 -0.82 -4.72 118.70 116.41 1vkk s GLU 9 Ca 0.42 1.07 -0.23 0.00 0.02 0.00 0.00 54.97 56.25 1vkk s GLU 9 Cb -0.22 -1.98 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 1vkk s GLU 9 CO 0.27 -1.14 0.74 0.08 0.02 0.00 0.00 175.26 175.23 1vkk s VAL 10 N -2.85 4.94 0.14 2.63 1.01 -1.26 -0.16 120.40 124.85 1vkk s VAL 10 Ca 0.60 1.44 -0.35 0.00 0.00 0.00 0.00 61.98 63.67 1vkk s VAL 10 Cb -0.15 -4.05 -0.15 0.00 0.00 0.00 0.00 36.38 32.02 1vkk s VAL 10 CO 0.50 0.07 1.40 -0.67 0.00 0.00 0.00 175.10 176.40 1vkk n ASP 11 N 5.13 2.17 -0.33 3.32 2.03 -0.15 -4.78 116.55 123.94 1vkk n ASP 11 Ca 0.02 1.11 0.17 0.00 0.52 0.00 0.00 54.79 56.62 1vkk n ASP 11 Cb 0.49 -1.29 0.40 0.00 -0.72 0.00 0.00 41.12 40.01 1vkk n ASP 11 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1vkk h PRO 12 N 4.80 0.57 -0.70 -0.67 0.11 -1.95 -0.08 132.00 134.07 1vkk h PRO 12 Ca -0.46 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1vkk h PRO 12 Cb 1.30 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1vkk h PRO 12 CO 0.80 0.38 0.22 0.93 -0.21 0.00 0.00 178.00 180.12 1vkk h GLU 13 N 0.59 1.08 -0.68 1.05 5.08 -1.96 -2.28 114.58 117.46 1vkk h GLU 13 Ca 0.59 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.66 1vkk h GLU 13 Cb 1.18 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 1vkk h GLU 13 CO -0.37 0.92 0.16 1.25 -1.00 0.00 0.00 179.01 179.97 1vkk h LEU 14 N 1.04 1.04 -1.07 1.33 5.85 -1.41 -0.97 115.31 121.12 1vkk h LEU 14 Ca 0.23 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1vkk h LEU 14 Cb 0.29 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1vkk h LEU 14 CO -0.01 1.01 0.63 0.11 -0.34 0.00 0.00 178.44 179.84 1vkk h LYS 15 N 1.02 1.14 -0.31 1.25 1.57 -0.85 0.90 116.57 121.29 1vkk h LYS 15 Ca 0.21 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1vkk h LYS 15 Cb 0.38 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1vkk h LYS 15 CO 0.00 0.76 -0.10 0.93 -0.57 0.00 0.00 179.45 180.47 1vkk h GLU 16 N 1.18 0.62 -0.58 3.15 4.39 -1.03 -0.47 114.58 121.83 1vkk h GLU 16 Ca 0.39 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.90 1vkk h GLU 16 Cb 0.07 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.64 1vkk h GLU 16 CO -0.13 0.82 0.30 1.15 -1.16 0.00 0.00 179.01 179.98 1vkk h THR 17 N 0.39 0.94 -0.50 1.13 2.02 -0.49 -1.00 112.91 115.40 1vkk h THR 17 Ca 0.08 -0.19 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 1vkk h THR 17 Cb 0.60 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1vkk h THR 17 CO 0.04 0.10 -0.14 -0.07 0.37 0.00 0.00 175.52 175.81 1vkk h LEU 18 N 0.56 1.00 -0.07 2.58 3.38 -0.66 -0.95 115.31 121.15 1vkk h LEU 18 Ca 0.26 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1vkk h LEU 18 Cb 0.18 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1vkk h LEU 18 CO -0.18 1.14 0.04 -0.09 0.09 0.00 0.00 178.44 179.43 1vkk h ARG 19 N 0.85 0.10 -0.77 1.13 2.43 -0.72 -0.32 114.38 117.07 1vkk h ARG 19 Ca 0.12 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1vkk h ARG 19 Cb 0.71 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.21 1vkk h ARG 19 CO 0.05 0.16 0.46 0.87 -1.51 0.00 0.00 179.97 180.00 1vkk h LYS 20 N 0.02 1.05 -0.51 0.20 1.57 -1.10 -2.96 116.57 114.84 1vkk h LYS 20 Ca 0.02 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1vkk h LYS 20 Cb 0.09 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1vkk h LYS 20 CO -0.00 0.75 0.26 0.35 -0.57 0.00 0.00 179.45 180.23 1vkk h PHE 21 N 1.06 0.71 -0.99 -1.35 3.57 -0.97 -2.00 116.94 116.96 1vkk h PHE 21 Ca 0.28 -0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.89 1vkk h PHE 21 Cb -0.03 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.40 1vkk h PHE 21 CO -0.01 0.54 0.62 -0.09 -2.23 0.00 0.00 178.31 177.15 1vkk h ARG 22 N 0.67 0.88 -0.69 1.11 2.43 -0.89 -2.12 114.38 115.77 1vkk h ARG 22 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1vkk h ARG 22 Cb 0.08 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1vkk h ARG 22 CO -0.03 0.58 0.00 1.19 -1.51 0.00 0.00 179.97 180.21 1vkk n PHE 23 N -4.64 1.21 -1.58 2.20 3.72 -0.98 -4.98 117.46 112.42 1vkk n PHE 23 Ca 0.20 -0.53 -0.41 0.00 -0.05 0.00 0.00 57.45 56.66 1vkk n PHE 23 Cb 0.42 -0.12 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 1vkk n PHE 23 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1vkk n ARG 24 N 1.36 1.13 0.00 -1.08 1.85 -0.79 -4.90 116.66 114.23 1vkk n ARG 24 Ca 0.25 0.41 0.10 0.00 -1.00 0.00 0.00 57.85 57.60 1vkk n ARG 24 Cb 0.74 -1.96 0.01 0.00 -1.05 0.00 0.00 32.46 30.19 1vkk n ARG 24 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1vkk n LYS 25 N 0.04 1.49 -1.99 2.89 5.02 -1.26 -4.95 118.16 119.40 1vkk n LYS 25 Ca 0.10 -1.03 -0.36 0.00 -2.02 0.00 0.00 58.31 55.00 1vkk n LYS 25 Cb 0.41 -1.39 0.04 0.00 -0.02 0.00 0.00 35.03 34.06 1vkk n LYS 25 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1vkk s GLU 26 N -2.15 2.96 -0.13 1.97 8.01 -1.26 -4.95 118.70 123.15 1vkk s GLU 26 Ca 0.17 1.86 0.16 0.00 0.01 0.00 0.00 54.97 57.18 1vkk s GLU 26 Cb 0.16 -1.94 0.33 0.00 -4.31 0.00 0.00 34.13 28.36 1vkk s GLU 26 CO 0.47 -1.22 1.21 0.25 0.01 0.00 0.00 175.26 175.98 1vkk n THR 27 N -1.57 1.88 -2.73 3.63 -2.24 -1.26 -5.00 114.28 107.00 1vkk n THR 27 Ca 0.14 -2.00 -0.21 0.00 -2.27 0.00 0.00 64.05 59.71 1vkk n THR 27 Cb 0.49 -0.15 0.06 0.00 -2.10 0.00 0.00 70.33 68.63 1vkk n THR 27 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1vkk s ASN 28 N -2.38 5.05 0.16 3.42 4.22 -1.26 -4.81 114.94 119.35 1vkk s ASN 28 Ca 0.32 -0.27 -0.26 0.00 -2.14 0.00 0.00 52.86 50.50 1vkk s ASN 28 Cb 0.27 -0.46 -0.08 0.00 1.28 0.00 0.00 41.25 42.26 1vkk s ASN 28 CO 0.05 -1.31 0.81 0.20 -2.04 0.00 0.00 177.10 174.81 1vkk s ASN 29 N -4.53 7.43 0.07 3.54 0.01 -1.26 -4.68 114.94 115.52 1vkk s ASN 29 Ca 0.60 1.69 -0.14 0.00 -0.71 0.00 0.00 52.86 54.30 1vkk s ASN 29 Cb -0.08 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.08 1vkk s ASN 29 CO 0.39 0.17 0.31 0.00 -1.51 0.00 0.00 177.10 176.46 1vkk s ALA 30 N -0.99 -0.68 0.02 0.60 0.00 -0.50 -0.07 121.76 120.14 1vkk s ALA 30 Ca 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 1vkk s ALA 30 Cb -0.23 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 1vkk s ALA 30 CO 0.27 -0.48 -0.02 0.00 0.00 0.00 0.00 175.76 175.53 1vkk s ALA 31 N -3.05 0.08 -0.17 0.00 0.00 0.62 -0.56 121.76 118.67 1vkk s ALA 31 Ca -0.01 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.45 1vkk s ALA 31 Cb 0.01 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1vkk s ALA 31 CO -0.07 -0.14 -0.14 0.42 0.00 0.00 0.00 175.76 175.83 1vkk s ILE 32 N -1.27 2.69 -0.11 0.00 1.01 0.43 -0.17 121.20 123.76 1vkk s ILE 32 Ca -0.14 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.74 1vkk s ILE 32 Cb -0.09 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1vkk s ILE 32 CO -0.01 0.50 -0.01 -0.63 0.00 0.00 0.00 174.94 174.79 1vkk s ILE 33 N 1.06 4.15 0.05 2.92 1.01 0.44 -0.81 121.20 130.02 1vkk s ILE 33 Ca -0.00 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.40 1vkk s ILE 33 Cb -0.15 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1vkk s ILE 33 CO -0.04 0.56 -0.14 -0.04 0.00 0.00 0.00 174.94 175.27 1vkk s MET 34 N -0.36 0.90 0.13 2.79 -1.94 0.31 -0.44 119.30 120.69 1vkk s MET 34 Ca 0.07 -0.85 0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1vkk s MET 34 Cb -0.12 -0.92 -0.04 0.00 2.01 0.00 0.00 34.83 35.76 1vkk s MET 34 CO 0.02 0.22 -0.01 -1.59 -0.01 0.00 0.00 175.02 173.65 1vkk s LYS 35 N -1.40 0.96 0.02 2.03 -2.85 -0.45 -1.98 119.74 116.07 1vkk s LYS 35 Ca 0.00 -1.44 -0.27 0.00 -1.00 0.00 0.00 55.97 53.27 1vkk s LYS 35 Cb -0.09 -0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.51 1vkk s LYS 35 CO 0.02 -0.12 0.84 0.08 0.10 0.00 0.00 175.35 176.27 1vkk s VAL 36 N -3.73 4.81 -0.55 1.79 1.01 -1.26 -0.53 120.40 121.94 1vkk s VAL 36 Ca 0.19 1.77 -0.19 0.00 0.00 0.00 0.00 61.98 63.75 1vkk s VAL 36 Cb 0.06 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.34 1vkk s VAL 36 CO -0.00 0.27 0.67 -0.62 0.00 0.00 0.00 175.10 175.42 1vkk s ASP 37 N 0.45 6.20 0.22 3.32 -1.08 0.81 -4.94 116.67 121.66 1vkk s ASP 37 Ca 0.43 -1.15 -0.08 0.00 -0.52 0.00 0.00 52.55 51.23 1vkk s ASP 37 Cb -0.20 -2.30 0.19 0.00 -1.46 0.00 0.00 42.92 39.15 1vkk s ASP 37 CO 0.24 -1.01 1.86 0.11 0.52 0.00 0.00 175.17 176.90 1vkk h LYS 38 N 9.10 1.17 -0.57 4.34 1.57 -1.96 -0.35 116.57 129.87 1vkk h LYS 38 Ca -0.28 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.32 1vkk h LYS 38 Cb 1.09 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.14 1vkk h LYS 38 CO 1.03 0.83 0.10 -0.44 -0.57 0.00 0.00 179.45 180.40 1vkk h ASP 39 N 1.18 0.90 1.12 0.86 5.19 -1.95 -2.59 116.42 121.12 1vkk h ASP 39 Ca 0.31 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1vkk h ASP 39 Cb -0.03 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.24 1vkk h ASP 39 CO -0.06 0.93 -0.19 0.54 -3.12 0.00 0.00 179.24 177.34 1vkk n ARG 40 N -4.34 0.18 -3.65 3.56 1.74 -1.13 -4.94 116.66 108.07 1vkk n ARG 40 Ca 0.02 0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 1vkk n ARG 40 Cb 0.27 -1.67 0.04 0.00 -1.02 0.00 0.00 32.46 30.07 1vkk n ARG 40 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vkk n GLN 41 N -1.96 -3.54 -3.89 5.56 6.02 -0.18 -4.92 117.38 114.47 1vkk n GLN 41 Ca 0.05 0.60 -0.11 0.00 -0.01 0.00 0.00 57.00 57.53 1vkk n GLN 41 Cb 0.40 -4.96 -0.13 0.00 1.02 0.00 0.00 30.24 26.57 1vkk n GLN 41 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1vkk s MET 42 N -5.80 0.09 -0.03 -1.09 -1.94 -0.98 -1.94 119.30 107.61 1vkk s MET 42 Ca 0.18 -0.13 -0.27 0.00 -1.71 0.00 0.00 55.69 53.75 1vkk s MET 42 Cb -0.05 0.03 -0.03 0.00 2.01 0.00 0.00 34.83 36.79 1vkk s MET 42 CO 0.82 -0.01 0.86 0.08 -0.01 0.00 0.00 175.02 176.75 1vkk s VAL 43 N -0.35 4.95 0.15 -6.03 1.01 0.78 -0.13 120.40 120.77 1vkk s VAL 43 Ca -0.04 1.79 0.06 0.00 0.00 0.00 0.00 61.98 63.79 1vkk s VAL 43 Cb -0.02 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1vkk s VAL 43 CO -0.00 0.19 -0.12 0.68 0.00 0.00 0.00 175.10 175.85 1vkk s VAL 44 N 0.95 1.35 0.19 2.92 -7.23 0.31 -0.98 120.40 117.91 1vkk s VAL 44 Ca 0.45 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.31 1vkk s VAL 44 Cb -0.19 -1.81 -0.09 0.00 0.56 0.00 0.00 36.38 34.85 1vkk s VAL 44 CO 0.23 -0.62 1.42 -0.22 -0.31 0.00 0.00 175.10 175.61 1vkk s LEU 45 N -3.01 4.39 -0.21 1.32 2.96 -1.26 -1.34 118.68 121.52 1vkk s LEU 45 Ca 0.16 2.51 -0.07 0.00 -0.22 0.00 0.00 54.13 56.51 1vkk s LEU 45 Cb -0.00 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.98 1vkk s LEU 45 CO 0.03 -0.68 -0.24 1.21 -1.32 0.00 0.00 176.35 175.35 1vkk n GLU 46 N 3.15 0.47 -3.69 1.98 2.13 0.42 -4.82 120.64 120.27 1vkk n GLU 46 Ca 0.09 0.17 -0.14 0.00 0.66 0.00 0.00 57.16 57.94 1vkk n GLU 46 Cb 0.41 -1.31 -0.08 0.00 0.27 0.00 0.00 31.44 30.73 1vkk n GLU 46 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1vkk s ASP 47 N -6.58 -0.40 -0.18 4.31 1.01 -0.71 -4.99 116.67 109.12 1vkk s ASP 47 Ca -0.29 0.53 0.01 0.00 0.71 0.00 0.00 52.55 53.51 1vkk s ASP 47 Cb 0.10 0.59 0.03 0.00 1.01 0.00 0.00 42.92 44.65 1vkk s ASP 47 CO 0.40 -0.38 -0.13 -0.70 0.21 0.00 0.00 175.17 174.58 1vkk s GLU 48 N -0.73 2.25 -0.02 8.23 2.12 -1.26 -0.42 118.70 128.87 1vkk s GLU 48 Ca -0.08 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 54.53 1vkk s GLU 48 Cb -0.03 -2.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.98 1vkk s GLU 48 CO 0.04 -0.35 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.70 1vkk s LEU 49 N 1.39 2.03 0.21 2.70 1.43 0.76 -4.98 118.68 122.23 1vkk s LEU 49 Ca 0.01 -0.38 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1vkk s LEU 49 Cb -0.15 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.95 1vkk s LEU 49 CO -0.09 0.25 -0.12 -1.10 0.23 0.00 0.00 176.35 175.52 1vkk s GLN 50 N -0.45 1.95 -1.29 1.70 -1.52 -1.26 -0.27 119.66 118.51 1vkk s GLN 50 Ca 0.07 -1.39 -0.08 0.00 -1.95 0.00 0.00 55.36 52.01 1vkk s GLN 50 Cb -0.08 -2.06 -0.00 0.00 -0.22 0.00 0.00 33.01 30.65 1vkk s GLN 50 CO -0.01 0.41 0.60 0.09 -0.25 0.00 0.00 175.29 176.13 1vkk n ASN 51 N -0.13 -2.32 -4.17 5.90 3.02 0.89 -4.95 115.26 113.50 1vkk n ASN 51 Ca -0.10 -0.99 -0.33 0.00 -0.03 0.00 0.00 54.58 53.13 1vkk n ASN 51 Cb 0.57 -3.30 -0.16 0.00 -0.61 0.00 0.00 39.78 36.28 1vkk n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1vkk s ILE 52 N -3.73 2.33 0.71 2.41 2.07 -0.89 -4.96 121.20 119.14 1vkk s ILE 52 Ca 0.18 -0.86 -0.10 0.00 -1.41 0.00 0.00 60.65 58.47 1vkk s ILE 52 Cb -0.07 -1.99 0.04 0.00 0.13 0.00 0.00 42.46 40.58 1vkk s ILE 52 CO 0.87 0.52 1.07 -0.94 -1.91 0.00 0.00 174.94 174.55 1vkk s SER 53 N 1.19 5.09 0.33 4.50 1.04 -1.26 -4.48 113.70 120.10 1vkk s SER 53 Ca 0.02 0.83 0.05 0.00 0.48 0.00 0.00 55.95 57.33 1vkk s SER 53 Cb -0.14 -1.55 0.70 0.00 0.10 0.00 0.00 66.02 65.13 1vkk s SER 53 CO -0.08 -1.50 1.89 -0.65 0.98 0.00 0.00 173.24 173.88 1vkk h PRO 54 N -0.67 0.80 -0.36 4.02 0.11 -1.95 0.74 132.00 134.69 1vkk h PRO 54 Ca -0.45 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1vkk h PRO 54 Cb 1.29 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1vkk h PRO 54 CO 0.63 0.53 -0.32 1.49 -0.21 0.00 0.00 178.00 180.13 1vkk h GLU 55 N 0.83 0.85 -0.71 1.05 4.81 -1.93 0.02 114.58 119.51 1vkk h GLU 55 Ca 0.41 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1vkk h GLU 55 Cb 0.47 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 1vkk h GLU 55 CO -0.18 1.08 0.17 0.93 -0.73 0.00 0.00 179.01 180.27 1vkk h GLU 56 N 0.65 1.13 -0.26 1.92 5.08 -1.78 -1.86 114.58 119.46 1vkk h GLU 56 Ca 0.06 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1vkk h GLU 56 Cb 0.90 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1vkk h GLU 56 CO 0.08 1.00 0.15 1.25 -1.00 0.00 0.00 179.01 180.49 1vkk h LEU 57 N 1.07 0.31 -0.66 1.33 5.85 -0.63 -2.29 115.31 120.30 1vkk h LEU 57 Ca 0.22 -0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.01 1vkk h LEU 57 Cb 0.38 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.23 1vkk h LEU 57 CO 0.00 0.29 0.14 0.50 -0.34 0.00 0.00 178.44 179.04 1vkk h LYS 58 N 0.32 0.25 0.00 1.25 3.64 -0.72 -0.56 116.57 120.75 1vkk h LYS 58 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1vkk h LYS 58 Cb 0.04 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1vkk h LYS 58 CO -0.02 0.17 0.00 -0.07 -2.27 0.00 0.00 179.45 177.26 1vkk h LEU 59 N 0.26 0.00 -0.19 5.20 3.38 -0.91 -1.99 115.31 121.07 1vkk h LEU 59 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1vkk h LEU 59 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1vkk h LEU 59 CO -0.46 0.00 -0.02 -0.33 0.09 0.00 0.00 178.44 177.72 1vkk h GLU 60 N 0.00 0.00 -6.68 1.13 4.39 -0.55 -3.47 114.58 109.41 1vkk h GLU 60 Ca 0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 1vkk h GLU 60 Cb 0.45 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1vkk h GLU 60 CO 0.00 0.02 0.25 -0.51 -1.16 0.00 0.00 179.01 177.61 1vkk s LEU 61 N -6.22 4.51 0.36 1.33 1.43 -0.75 -5.01 118.68 114.33 1vkk s LEU 61 Ca 0.06 1.74 -0.28 0.00 -1.03 0.00 0.00 54.13 54.62 1vkk s LEU 61 Cb 0.06 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.58 1vkk s LEU 61 CO 0.66 0.10 1.33 -2.16 0.23 0.00 0.00 176.35 176.50 1vkk s PRO 62 N -1.50 4.19 0.38 1.29 0.04 -1.26 -4.91 135.00 133.22 1vkk s PRO 62 Ca 0.42 2.24 0.20 0.00 0.04 0.00 0.00 61.00 63.90 1vkk s PRO 62 Cb -0.22 -2.95 0.45 0.00 0.04 0.00 0.00 34.50 31.82 1vkk s PRO 62 CO 0.26 -0.33 1.62 0.93 0.04 0.00 0.00 177.00 179.53 1vkk h GLU 63 N 3.09 0.00 0.00 4.56 5.08 -1.95 -3.36 114.58 122.00 1vkk h GLU 63 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1vkk h GLU 63 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1vkk h GLU 63 CO 0.64 0.29 -0.04 0.54 -1.00 0.00 0.00 179.01 179.44 1vkk n ARG 64 N -3.25 1.53 -4.19 2.33 1.74 -1.26 -4.73 116.66 108.82 1vkk n ARG 64 Ca 0.02 -1.23 -0.17 0.00 -0.77 0.00 0.00 57.85 55.69 1vkk n ARG 64 Cb 0.58 -0.84 -0.11 0.00 -1.02 0.00 0.00 32.46 31.06 1vkk n ARG 64 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1vkk s GLN 65 N -0.78 0.89 0.58 5.56 1.11 -1.26 -3.64 119.66 122.11 1vkk s GLN 65 Ca 0.04 -1.08 -0.14 0.00 0.01 0.00 0.00 55.36 54.19 1vkk s GLN 65 Cb 0.03 -0.79 -0.05 0.00 -1.01 0.00 0.00 33.01 31.19 1vkk s GLN 65 CO 0.00 0.16 1.01 -2.14 0.01 0.00 0.00 175.29 174.34 1vkk s PRO 66 N -2.24 3.69 0.05 2.91 0.02 -1.26 -4.59 135.00 133.58 1vkk s PRO 66 Ca 0.03 0.88 -0.11 0.00 0.02 0.00 0.00 61.00 61.82 1vkk s PRO 66 Cb -0.07 -2.09 0.01 0.00 0.02 0.00 0.00 34.50 32.36 1vkk s PRO 66 CO 0.02 -0.49 0.23 1.03 -0.33 0.00 0.00 177.00 177.46 1vkk s ARG 67 N -4.62 0.75 -0.05 5.54 1.81 -0.44 -4.92 118.95 117.01 1vkk s ARG 67 Ca 0.57 -0.63 -0.04 0.00 -1.72 0.00 0.00 55.73 53.92 1vkk s ARG 67 Cb -0.11 0.32 -0.04 0.00 -0.45 0.00 0.00 34.95 34.67 1vkk s ARG 67 CO 0.43 -0.23 0.13 -0.06 -0.68 0.00 0.00 175.30 174.89 1vkk s PHE 68 N -2.73 3.46 -0.02 -0.53 0.08 -0.84 -0.98 117.98 116.43 1vkk s PHE 68 Ca -0.04 0.36 0.02 0.00 0.12 0.00 0.00 56.93 57.40 1vkk s PHE 68 Cb -0.00 -1.84 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 1vkk s PHE 68 CO -0.05 0.64 -0.07 0.08 -0.10 0.00 0.00 175.22 175.72 1vkk s VAL 69 N -1.15 0.57 -0.21 -0.44 1.01 -0.02 -0.53 120.40 119.63 1vkk s VAL 69 Ca 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1vkk s VAL 69 Cb -0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 1vkk s VAL 69 CO 0.11 0.18 -0.06 -0.69 0.00 0.00 0.00 175.10 174.63 1vkk s VAL 70 N 0.09 3.22 -0.16 2.92 1.01 0.01 -0.31 120.40 127.18 1vkk s VAL 70 Ca -0.01 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1vkk s VAL 70 Cb -0.06 -2.45 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1vkk s VAL 70 CO -0.00 0.44 -0.21 -0.47 0.00 0.00 0.00 175.10 174.86 1vkk s TYR 71 N 1.39 2.69 -0.41 5.22 5.04 0.48 -0.43 117.35 131.32 1vkk s TYR 71 Ca 0.05 -1.47 -0.17 0.00 -2.44 0.00 0.00 57.07 53.04 1vkk s TYR 71 Cb -0.14 -1.85 0.02 0.00 0.35 0.00 0.00 41.96 40.34 1vkk s TYR 71 CO -0.04 -0.70 0.40 0.45 -1.34 0.00 0.00 175.55 174.32 1vkk s SER 72 N 1.06 6.18 -0.08 4.32 0.15 0.27 -1.03 113.70 124.57 1vkk s SER 72 Ca -0.01 -0.63 0.03 0.00 0.70 0.00 0.00 55.95 56.04 1vkk s SER 72 Cb -0.14 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 1vkk s SER 72 CO -0.07 -0.52 -0.19 -0.47 1.20 0.00 0.00 173.24 173.19 1vkk s TYR 73 N 2.05 2.63 -0.49 3.44 5.04 -0.71 -1.41 117.35 127.90 1vkk s TYR 73 Ca 0.11 -0.63 -0.27 0.00 -2.44 0.00 0.00 57.07 53.84 1vkk s TYR 73 Cb -0.17 -1.70 0.03 0.00 0.35 0.00 0.00 41.96 40.47 1vkk s TYR 73 CO 0.13 -0.16 1.03 0.21 -1.34 0.00 0.00 175.55 175.41 1vkk s LYS 74 N -0.05 3.57 -0.36 4.97 2.20 -1.26 -2.99 119.74 125.82 1vkk s LYS 74 Ca -0.05 0.26 -0.15 0.00 -0.36 0.00 0.00 55.97 55.68 1vkk s LYS 74 Cb -0.14 -3.94 -0.01 0.00 -1.51 0.00 0.00 37.83 32.23 1vkk s LYS 74 CO 0.04 -1.35 0.32 -0.47 -0.36 0.00 0.00 175.35 173.53 1vkk s TYR 75 N 4.14 3.22 -0.35 4.03 6.14 0.52 -4.98 117.35 130.08 1vkk s TYR 75 Ca 0.41 -0.22 -0.14 0.00 0.64 0.00 0.00 57.07 57.76 1vkk s TYR 75 Cb -0.09 -2.61 -0.01 0.00 0.42 0.00 0.00 41.96 39.67 1vkk s TYR 75 CO 0.28 -0.46 0.29 0.08 0.64 0.00 0.00 175.55 176.37 1vkk s VAL 76 N 1.87 5.24 0.75 3.14 1.01 -1.26 -1.23 120.40 129.92 1vkk s VAL 76 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 1vkk s VAL 76 Cb -0.17 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.49 1vkk s VAL 76 CO 0.11 -0.06 1.10 -1.00 0.00 0.00 0.00 175.10 175.25 1vkk s HIS 77 N 1.83 2.56 0.45 5.22 0.09 0.76 -4.90 115.29 121.30 1vkk s HIS 77 Ca 0.08 1.56 0.11 0.00 -0.00 0.00 0.00 55.06 56.81 1vkk s HIS 77 Cb -0.17 -3.08 1.02 0.00 -0.00 0.00 0.00 32.58 30.35 1vkk s HIS 77 CO 0.11 -1.80 2.06 -0.44 -0.00 0.00 0.00 174.74 174.67 1vkk h ASP 78 N -0.93 0.31 0.14 1.40 3.32 -1.97 0.05 116.42 118.74 1vkk h ASP 78 Ca -0.44 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1vkk h ASP 78 Cb 1.23 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1vkk h ASP 78 CO 0.52 0.22 -0.03 -0.90 -1.72 0.00 0.00 179.24 177.32 1vkk n ASP 79 N -4.49 0.50 0.00 6.45 5.75 -1.26 -4.93 116.55 118.58 1vkk n ASP 79 Ca 0.03 -0.94 0.00 0.00 -0.01 0.00 0.00 54.79 53.88 1vkk n ASP 79 Cb 0.16 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1vkk n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vkk n GLY 80 N 1.14 0.18 3.72 6.12 0.00 0.00 -5.07 105.19 111.29 1vkk n GLY 80 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1vkk n GLY 80 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vkk s ARG 81 N -1.00 2.35 -0.02 1.61 0.52 -1.26 -4.73 118.95 116.42 1vkk s ARG 81 Ca 0.00 1.96 0.04 0.00 -0.52 0.00 0.00 55.73 57.21 1vkk s ARG 81 Cb 0.00 -1.83 -0.01 0.00 0.52 0.00 0.00 34.95 33.63 1vkk s ARG 81 CO 0.00 -1.72 -0.15 0.08 0.02 0.00 0.00 175.30 173.53 1vkk s VAL 82 N -1.61 1.17 0.26 3.52 1.01 -1.26 -0.17 120.40 123.31 1vkk s VAL 82 Ca 0.80 -0.61 0.10 0.00 0.00 0.00 0.00 61.98 62.26 1vkk s VAL 82 Cb -0.35 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1vkk s VAL 82 CO 0.42 0.34 -0.16 -0.94 0.00 0.00 0.00 175.10 174.75 1vkk s SER 83 N -0.19 3.18 -0.52 3.32 1.04 -0.37 -4.99 113.70 115.17 1vkk s SER 83 Ca 0.02 -1.05 0.07 0.00 0.48 0.00 0.00 55.95 55.48 1vkk s SER 83 Cb -0.07 -0.24 0.31 0.00 0.10 0.00 0.00 66.02 66.12 1vkk s SER 83 CO 0.00 -0.08 0.78 -1.22 0.98 0.00 0.00 173.24 173.70 1vkk n TYR 84 N -0.55 2.39 -1.76 5.02 4.01 -1.26 -0.35 117.16 124.66 1vkk n TYR 84 Ca -0.06 -3.93 -0.38 0.00 -0.16 0.00 0.00 57.90 53.37 1vkk n TYR 84 Cb 0.61 -0.47 0.04 0.00 -0.31 0.00 0.00 39.34 39.21 1vkk n TYR 84 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1vkk s PRO 85 N -2.63 3.09 -0.20 -0.72 0.04 -1.16 -4.71 135.00 128.71 1vkk s PRO 85 Ca 0.42 2.25 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 1vkk s PRO 85 Cb 0.25 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1vkk s PRO 85 CO -0.09 -1.23 -0.02 -1.17 0.04 0.00 0.00 177.00 174.53 1vkk s LEU 86 N -3.58 3.11 0.03 -3.56 2.96 -1.26 -1.74 118.68 114.64 1vkk s LEU 86 Ca 0.72 -0.27 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 1vkk s LEU 86 Cb -0.41 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.47 1vkk s LEU 86 CO 0.48 0.04 -0.01 0.00 -1.32 0.00 0.00 176.35 175.54 1vkk s PHE 88 N -2.25 3.56 -0.16 0.00 5.36 0.66 -0.39 117.98 124.77 1vkk s PHE 88 Ca -0.09 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.58 1vkk s PHE 88 Cb -0.04 -2.25 0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1vkk s PHE 88 CO -0.04 0.44 -0.12 0.42 -1.46 0.00 0.00 175.22 174.47 1vkk s ILE 89 N -0.23 1.48 -0.45 3.12 1.01 0.58 -0.09 121.20 126.60 1vkk s ILE 89 Ca 0.18 -0.67 -0.22 0.00 0.00 0.00 0.00 60.65 59.95 1vkk s ILE 89 Cb -0.14 -1.45 0.03 0.00 0.01 0.00 0.00 42.46 40.91 1vkk s ILE 89 CO 0.06 0.36 0.72 0.12 0.00 0.00 0.00 174.94 176.21 1vkk s PHE 90 N 1.51 3.02 -0.43 3.97 5.36 0.29 -0.84 117.98 130.86 1vkk s PHE 90 Ca 0.03 0.03 -0.23 0.00 -0.96 0.00 0.00 56.93 55.80 1vkk s PHE 90 Cb -0.14 -3.54 0.02 0.00 -0.34 0.00 0.00 43.02 39.02 1vkk s PHE 90 CO -0.10 -0.96 0.77 0.45 -1.46 0.00 0.00 175.22 173.93 1vkk s SER 91 N 2.14 6.44 -0.57 6.13 0.15 -0.15 -1.31 113.70 126.53 1vkk s SER 91 Ca 0.26 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.95 1vkk s SER 91 Cb -0.13 -2.38 0.19 0.00 -1.71 0.00 0.00 66.02 61.99 1vkk s SER 91 CO 0.20 -0.86 0.49 -0.24 1.20 0.00 0.00 173.24 174.03 1vkk n SER 92 N 6.62 1.72 -4.77 5.45 2.88 -0.00 -1.33 113.62 124.18 1vkk n SER 92 Ca 0.02 -2.93 -0.40 0.00 -1.33 0.00 0.00 58.87 54.23 1vkk n SER 92 Cb 0.48 -0.67 0.01 0.00 -0.75 0.00 0.00 64.21 63.29 1vkk n SER 92 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1vkk s PRO 93 N -1.12 3.85 0.61 -1.46 0.02 -1.26 -4.25 135.00 131.38 1vkk s PRO 93 Ca 0.31 2.50 0.37 0.00 0.02 0.00 0.00 61.00 64.21 1vkk s PRO 93 Cb 0.04 -2.78 1.99 0.00 0.02 0.00 0.00 34.50 33.76 1vkk s PRO 93 CO -0.15 -0.72 2.24 -0.39 -0.33 0.00 0.00 177.00 177.66 1vkk h VAL 94 N 2.58 0.20 -0.00 3.83 -1.51 -1.47 -1.23 116.25 118.65 1vkk h VAL 94 Ca -0.51 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1vkk h VAL 94 Cb 1.26 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.56 1vkk h VAL 94 CO 0.62 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 177.59 1vkk n GLY 95 N -0.88 -0.94 3.80 5.19 0.00 -1.26 -4.84 105.19 106.26 1vkk n GLY 95 Ca -0.02 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1vkk n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vkk s LYS 97 N -3.22 4.11 0.29 0.00 1.02 -1.26 -4.81 119.74 115.87 1vkk s LYS 97 Ca 0.65 2.59 0.05 0.00 0.02 0.00 0.00 55.97 59.28 1vkk s LYS 97 Cb -0.14 -3.00 0.73 0.00 -0.52 0.00 0.00 37.83 34.90 1vkk s LYS 97 CO 0.18 -0.61 1.74 -1.35 -0.92 0.00 0.00 175.35 174.39 1vkk h PRO 98 N 4.08 0.58 -1.00 -1.68 0.11 -1.94 -0.20 132.00 131.94 1vkk h PRO 98 Ca -0.49 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.63 1vkk h PRO 98 Cb 1.23 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 32.15 1vkk h PRO 98 CO 0.73 0.38 0.66 1.49 -0.21 0.00 0.00 178.00 181.05 1vkk h GLU 99 N 0.59 1.23 0.01 1.05 4.81 -1.99 0.85 114.58 121.13 1vkk h GLU 99 Ca 0.57 -0.07 -0.24 0.00 -0.13 0.00 0.00 59.36 59.48 1vkk h GLU 99 Cb 0.97 -0.28 0.02 0.00 0.63 0.00 0.00 28.75 30.09 1vkk h GLU 99 CO -0.44 0.81 -0.96 0.37 -0.73 0.00 0.00 179.01 178.06 1vkk h GLN 100 N 1.26 0.63 -0.41 1.92 4.15 -1.53 -1.08 115.11 120.06 1vkk h GLN 100 Ca 0.40 -0.69 0.08 0.00 0.77 0.00 0.00 58.65 59.21 1vkk h GLN 100 Cb 0.01 0.20 -0.07 0.00 0.21 0.00 0.00 27.48 27.83 1vkk h GLN 100 CO -0.13 1.28 -0.06 0.37 -1.93 0.00 0.00 178.83 178.36 1vkk h GLN 101 N 0.27 0.04 -0.04 1.69 -0.00 -0.71 -1.96 115.11 114.40 1vkk h GLN 101 Ca -0.12 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.39 1vkk h GLN 101 Cb 1.63 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 29.09 1vkk h GLN 101 CO 0.19 0.02 -0.61 1.98 0.00 0.00 0.00 178.83 180.41 1vkk h MET 102 N 0.04 0.14 -0.15 1.69 4.05 -0.71 0.14 114.93 120.13 1vkk h MET 102 Ca 0.20 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 59.53 1vkk h MET 102 Cb 0.30 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1vkk h MET 102 CO -0.39 0.71 0.09 1.98 0.23 0.00 0.00 176.91 179.53 1vkk h MET 103 N 0.10 0.18 -0.31 0.39 1.85 -0.73 0.31 114.93 116.73 1vkk h MET 103 Ca -0.01 -0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.03 1vkk h MET 103 Cb 1.11 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.08 1vkk h MET 103 CO 0.09 0.12 0.03 1.88 -0.40 0.00 0.00 176.91 178.63 1vkk h TYR 104 N 0.19 0.56 -0.83 1.39 -1.99 -1.05 -3.14 116.97 112.10 1vkk h TYR 104 Ca 0.06 -0.09 0.07 0.00 2.00 0.00 0.00 58.73 60.77 1vkk h TYR 104 Cb -0.01 -0.15 -0.06 0.00 2.00 0.00 0.00 36.73 38.51 1vkk h TYR 104 CO -0.08 0.63 0.50 0.00 -0.00 0.00 0.00 178.16 179.21 1vkk h ALA 105 N 0.86 1.15 0.00 3.88 0.00 -0.46 -0.73 119.26 123.97 1vkk h ALA 105 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vkk h ALA 105 Cb 0.38 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1vkk h ALA 105 CO 0.01 0.21 -0.01 0.78 0.00 0.00 0.00 179.25 180.24 1vkk h GLY 106 N 0.90 0.00 -0.98 0.00 0.00 -0.94 -2.87 103.07 99.17 1vkk h GLY 106 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1vkk h GLY 106 CO -0.19 0.00 -0.33 1.44 0.00 0.00 0.00 176.54 177.45 1vkk n SER 107 N -3.12 1.96 0.02 0.19 7.64 -0.35 -4.60 113.62 115.35 1vkk n SER 107 Ca -0.01 -1.48 -0.11 0.00 1.01 0.00 0.00 58.87 58.28 1vkk n SER 107 Cb 0.22 0.40 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 1vkk n SER 107 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1vkk h LYS 108 N 2.40 0.05 -0.71 1.43 3.64 -1.13 -2.58 116.57 119.65 1vkk h LYS 108 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1vkk h LYS 108 Cb 0.68 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1vkk h LYS 108 CO 0.00 0.03 0.34 -0.91 -2.27 0.00 0.00 179.45 176.64 1vkk h ASN 109 N 0.05 0.94 -0.84 4.20 2.35 -1.81 0.18 115.58 120.64 1vkk h ASN 109 Ca 0.02 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1vkk h ASN 109 Cb 0.01 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1vkk h ASN 109 CO -0.02 0.81 0.54 -0.09 -1.65 0.00 0.00 177.43 177.03 1vkk h ARG 110 N 1.00 1.12 -0.32 0.81 2.43 -1.84 -0.15 114.38 117.43 1vkk h ARG 110 Ca 0.24 -0.08 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1vkk h ARG 110 Cb 0.12 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1vkk h ARG 110 CO -0.03 0.76 -0.02 1.25 -1.51 0.00 0.00 179.97 180.42 1vkk h LEU 111 N 1.15 0.57 -0.68 3.80 5.85 -1.00 -0.45 115.31 124.55 1vkk h LEU 111 Ca 0.31 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1vkk h LEU 111 Cb -0.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1vkk h LEU 111 CO -0.06 0.76 0.45 0.58 -0.34 0.00 0.00 178.44 179.82 1vkk h VAL 112 N 0.37 1.17 -0.44 1.05 2.07 -0.66 -1.41 116.25 118.40 1vkk h VAL 112 Ca 0.09 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1vkk h VAL 112 Cb 0.48 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1vkk h VAL 112 CO 0.02 0.17 0.06 1.56 0.02 0.00 0.00 177.57 179.40 1vkk h GLN 113 N 0.91 0.73 -0.69 1.57 7.50 -0.88 -0.56 115.11 123.68 1vkk h GLN 113 Ca 0.25 -0.20 0.07 0.00 0.50 0.00 0.00 58.65 59.27 1vkk h GLN 113 Cb -0.10 -0.08 -0.06 0.00 0.05 0.00 0.00 27.48 27.29 1vkk h GLN 113 CO -0.06 0.77 0.38 1.15 -1.50 0.00 0.00 178.83 179.57 1vkk h THR 114 N 0.59 0.93 -0.00 -0.54 2.02 -0.69 -0.98 112.91 114.25 1vkk h THR 114 Ca 0.13 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1vkk h THR 114 Cb 0.40 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1vkk h THR 114 CO 0.01 0.12 -0.05 0.00 0.37 0.00 0.00 175.52 175.98 1vkk n ALA 115 N -2.37 2.57 -2.74 6.16 0.00 -0.57 -4.91 120.51 118.66 1vkk n ALA 115 Ca 0.09 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 1vkk n ALA 115 Cb 0.21 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.23 1vkk n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vkk n GLU 116 N -1.24 -3.34 -3.15 0.00 1.02 -0.28 -4.95 120.64 108.69 1vkk n GLU 116 Ca 0.13 0.93 -0.39 0.00 -0.02 0.00 0.00 57.16 57.81 1vkk n GLU 116 Cb 0.27 -5.69 -0.06 0.00 -0.02 0.00 0.00 31.44 25.94 1vkk n GLU 116 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1vkk s LEU 117 N -6.36 4.53 -0.01 -4.62 1.43 -0.85 -4.96 118.68 107.84 1vkk s LEU 117 Ca 0.16 1.39 0.12 0.00 -1.03 0.00 0.00 54.13 54.77 1vkk s LEU 117 Cb -0.07 -3.06 -0.17 0.00 0.03 0.00 0.00 46.19 42.92 1vkk s LEU 117 CO 0.20 0.21 0.35 0.35 0.23 0.00 0.00 176.35 177.69 1vkk n THR 118 N 1.89 0.00 -3.37 5.49 -2.24 -1.26 -4.80 114.28 109.99 1vkk n THR 118 Ca -0.08 -0.26 -0.45 0.00 -2.27 0.00 0.00 64.05 61.00 1vkk n THR 118 Cb 0.50 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.15 1vkk n THR 118 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vkk s LYS 119 N -2.60 2.89 -0.20 -0.78 1.02 -1.26 -5.03 119.74 113.78 1vkk s LYS 119 Ca -0.01 -1.66 0.01 0.00 0.02 0.00 0.00 55.97 54.32 1vkk s LYS 119 Cb 0.08 -4.20 0.04 0.00 -0.52 0.00 0.00 37.83 33.24 1vkk s LYS 119 CO 0.50 -1.25 -0.10 0.08 -0.92 0.00 0.00 175.35 173.66 1vkk s VAL 120 N 1.56 1.62 0.32 3.17 1.01 -1.26 -0.24 120.40 126.58 1vkk s VAL 120 Ca 0.04 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.10 1vkk s VAL 120 Cb -0.28 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 1vkk s VAL 120 CO 0.03 0.15 -0.13 -0.36 0.00 0.00 0.00 175.10 174.79 1vkk s PHE 121 N 1.40 2.36 -0.04 5.22 0.08 0.87 -4.99 117.98 122.89 1vkk s PHE 121 Ca -0.02 -0.45 -0.03 0.00 0.12 0.00 0.00 56.93 56.55 1vkk s PHE 121 Cb -0.16 -1.26 0.02 0.00 -0.57 0.00 0.00 43.02 41.04 1vkk s PHE 121 CO -0.08 0.62 0.09 -2.00 -0.10 0.00 0.00 175.22 173.75 1vkk s GLU 122 N -3.58 0.08 0.04 0.44 2.12 -1.26 -0.54 118.70 115.99 1vkk s GLU 122 Ca 0.32 0.17 0.08 0.00 0.36 0.00 0.00 54.97 55.89 1vkk s GLU 122 Cb 0.00 -0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.35 1vkk s GLU 122 CO 0.16 -0.05 -0.24 0.96 -0.54 0.00 0.00 175.26 175.55 1vkk s ILE 123 N 0.33 1.89 -1.58 -3.70 -4.36 -0.43 -4.94 121.20 108.41 1vkk s ILE 123 Ca -0.02 -1.25 0.14 0.00 -0.26 0.00 0.00 60.65 59.26 1vkk s ILE 123 Cb -0.04 -1.62 0.23 0.00 1.25 0.00 0.00 42.46 42.28 1vkk s ILE 123 CO -0.01 0.32 1.11 0.54 0.24 0.00 0.00 174.94 177.14 1vkk n ARG 124 N 1.91 1.76 -3.70 0.37 5.12 -1.26 -0.82 116.66 120.03 1vkk n ARG 124 Ca -0.17 -1.71 -0.14 0.00 -1.93 0.00 0.00 57.85 53.90 1vkk n ARG 124 Cb 0.53 -1.31 -0.09 0.00 -1.16 0.00 0.00 32.46 30.43 1vkk n ARG 124 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1vkk s THR 125 N -1.13 0.02 0.53 0.55 -1.32 -1.26 -1.19 115.64 111.85 1vkk s THR 125 Ca 0.22 -0.20 0.31 0.00 -1.21 0.00 0.00 61.69 60.82 1vkk s THR 125 Cb 0.14 -0.68 0.35 0.00 -1.51 0.00 0.00 72.50 70.79 1vkk s THR 125 CO 0.19 -0.11 2.21 0.71 -2.21 0.00 0.00 174.62 175.41 1vkk h THR 126 N 3.96 0.45 0.00 5.08 1.35 -1.89 -1.67 112.91 120.19 1vkk h THR 126 Ca -0.28 -0.19 -0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1vkk h THR 126 Cb 1.17 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1vkk h THR 126 CO 0.33 0.04 -0.00 0.44 -0.25 0.00 0.00 175.52 176.07 1vkk h ASP 127 N 0.00 0.00 0.84 5.36 5.19 -1.95 -1.44 116.42 124.42 1vkk h ASP 127 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1vkk h ASP 127 Cb 0.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1vkk h ASP 127 CO 0.01 0.00 -0.08 0.47 -3.12 0.00 0.00 179.24 176.52 1vkk n ASP 128 N -3.28 0.10 -4.55 6.45 8.00 -0.63 -4.51 116.55 118.13 1vkk n ASP 128 Ca -0.03 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.31 1vkk n ASP 128 Cb 0.09 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 1vkk n ASP 128 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1vkk s LEU 129 N -2.91 3.74 0.29 0.64 0.20 -0.54 -4.78 118.68 115.31 1vkk s LEU 129 Ca 0.16 -1.64 0.11 0.00 0.69 0.00 0.00 54.13 53.45 1vkk s LEU 129 Cb 0.19 -2.55 -0.05 0.00 -0.43 0.00 0.00 46.19 43.35 1vkk s LEU 129 CO 0.54 -1.41 -0.16 0.42 -0.29 0.00 0.00 176.35 175.45 1vkk s THR 130 N 4.58 2.28 0.31 3.68 -4.23 -1.26 -4.61 115.64 116.38 1vkk s THR 130 Ca 0.45 -2.32 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1vkk s THR 130 Cb -0.00 -2.37 0.14 0.00 1.34 0.00 0.00 72.50 71.62 1vkk s THR 130 CO -0.08 -0.37 1.84 -0.08 -0.54 0.00 0.00 174.62 175.39 1vkk h GLU 131 N 2.24 0.61 -0.20 3.99 4.81 -1.92 -1.12 114.58 122.99 1vkk h GLU 131 Ca -0.40 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1vkk h GLU 131 Cb 1.25 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1vkk h GLU 131 CO 0.63 0.63 0.09 1.15 -0.73 0.00 0.00 179.01 180.78 1vkk h THR 132 N 0.58 1.15 -0.30 0.32 2.02 -1.96 0.11 112.91 114.82 1vkk h THR 132 Ca 0.12 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 66.90 1vkk h THR 132 Cb 0.37 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1vkk h THR 132 CO 0.01 0.14 0.07 -0.25 0.37 0.00 0.00 175.52 175.87 1vkk h TRP 133 N 0.18 0.12 -0.22 3.16 7.01 -1.81 -1.55 115.95 122.84 1vkk h TRP 133 Ca 0.07 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 1vkk h TRP 133 Cb 0.15 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 1vkk h TRP 133 CO -0.02 0.03 0.10 1.25 -2.79 0.00 0.00 178.44 177.02 1vkk h LEU 134 N 0.18 0.30 -1.24 0.65 5.85 -0.97 0.23 115.31 120.31 1vkk h LEU 134 Ca 0.14 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1vkk h LEU 134 Cb 0.14 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1vkk h LEU 134 CO -0.18 0.35 0.52 0.11 -0.34 0.00 0.00 178.44 178.90 1vkk h LYS 135 N 0.22 1.02 -0.38 1.25 1.57 -0.80 -0.61 116.57 118.84 1vkk h LYS 135 Ca 0.07 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1vkk h LYS 135 Cb 0.14 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1vkk h LYS 135 CO -0.01 0.68 -0.24 0.93 -0.57 0.00 0.00 179.45 180.23 1vkk h GLU 136 N 1.05 0.84 -0.41 3.15 5.08 -0.82 -0.88 114.58 122.59 1vkk h GLU 136 Ca 0.29 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1vkk h GLU 136 Cb -0.11 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1vkk h GLU 136 CO -0.06 1.03 0.21 0.87 -1.00 0.00 0.00 179.01 180.06 1vkk h LYS 137 N 0.64 0.42 0.00 2.33 1.79 -0.59 -2.98 116.57 118.18 1vkk h LYS 137 Ca 0.08 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.44 1vkk h LYS 137 Cb 0.81 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1vkk h LYS 137 CO 0.07 0.28 -0.41 -0.07 -1.08 0.00 0.00 179.45 178.24 1vkk h LEU 138 N 0.43 0.00 -2.57 2.94 3.38 -0.85 -2.96 115.31 115.69 1vkk h LEU 138 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1vkk h LEU 138 Cb 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1vkk h LEU 138 CO -0.11 0.41 -0.01 0.00 0.09 0.00 0.00 178.44 178.81 1vkk h ALA 139 N 1.59 1.29 0.00 1.53 0.00 -1.00 -0.45 119.26 122.22 1vkk h ALA 139 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1vkk h ALA 139 Cb 0.75 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1vkk h ALA 139 CO 0.05 0.02 -0.02 0.35 0.00 0.00 0.00 179.25 179.65 1vkk h PHE 140 N 0.00 0.00 -0.02 0.00 3.57 -1.60 -1.00 116.94 117.90 1vkk h PHE 140 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1vkk h PHE 140 Cb 0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1vkk h PHE 140 CO 0.00 0.02 -0.04 1.19 -2.23 0.00 0.00 178.31 177.25 1vkk n PHE 141 N -4.11 0.00 1.69 0.41 3.72 -0.18 -5.19 117.46 113.79 1vkk n PHE 141 Ca -0.03 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.52 1vkk n PHE 141 Cb 0.11 -0.01 0.68 0.00 -0.94 0.00 0.00 39.48 39.32 1vkk n PHE 141 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25