#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vee s SER 2 N 0.00 0.08 -0.30 1.61 1.04 -1.26 -5.15 113.70 109.72 1vee s SER 2 Ca 0.00 -0.64 -0.13 0.00 0.48 0.00 0.00 55.95 55.67 1vee s SER 2 Cb 0.00 0.36 0.17 0.00 0.10 0.00 0.00 66.02 66.65 1vee s SER 2 CO 0.00 -0.75 0.96 -0.94 0.98 0.00 0.00 173.24 173.49 1vee s SER 3 N -2.86 -0.64 0.28 7.02 1.04 -1.26 -5.15 113.70 112.13 1vee s SER 3 Ca 0.06 0.64 -0.30 0.00 0.48 0.00 0.00 55.95 56.83 1vee s SER 3 Cb 0.04 1.63 -0.10 0.00 0.10 0.00 0.00 66.02 67.69 1vee s SER 3 CO -0.10 -0.12 1.41 -0.83 0.98 0.00 0.00 173.24 174.58 1vee s GLY 4 N 2.68 2.53 -1.04 7.32 0.00 -1.24 -4.90 107.32 112.67 1vee s GLY 4 Ca 0.01 1.33 -0.23 0.00 0.00 0.00 0.00 44.72 45.83 1vee s GLY 4 CO -0.16 2.19 1.58 -0.45 0.00 0.00 0.00 173.10 176.27 1vee s SER 5 N 0.12 6.26 0.31 1.64 0.15 -1.26 -4.96 113.70 115.96 1vee s SER 5 Ca 0.56 -1.44 -0.30 0.00 0.70 0.00 0.00 55.95 55.48 1vee s SER 5 Cb -0.42 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.21 1vee s SER 5 CO 0.47 -1.73 1.56 -0.94 1.20 0.00 0.00 173.24 173.80 1vee s SER 6 N 5.47 6.39 -0.21 5.45 1.04 -1.26 -1.02 113.70 129.56 1vee s SER 6 Ca 0.52 2.94 -0.04 0.00 0.48 0.00 0.00 55.95 59.85 1vee s SER 6 Cb -0.01 -2.64 0.08 0.00 0.10 0.00 0.00 66.02 63.55 1vee s SER 6 CO -0.06 -0.88 0.13 -0.83 0.98 0.00 0.00 173.24 172.58 1vee s GLY 7 N 0.35 0.31 0.54 7.32 0.00 0.12 -4.80 107.32 111.17 1vee s GLY 7 Ca 0.61 -0.43 -0.19 0.00 0.00 0.00 0.00 44.72 44.70 1vee s GLY 7 CO 0.50 1.92 0.62 -1.14 0.00 0.00 0.00 173.10 175.01 1vee n SER 8 N 5.28 -0.59 -0.29 1.64 3.41 -1.26 -1.99 113.62 119.81 1vee n SER 8 Ca -0.06 0.80 0.17 0.00 -0.26 0.00 0.00 58.87 59.51 1vee n SER 8 Cb 0.47 -1.20 0.44 0.00 -0.26 0.00 0.00 64.21 63.65 1vee n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vee h ALA 9 N 0.48 2.01 -0.10 7.33 0.00 -1.80 0.10 119.26 127.28 1vee h ALA 9 Ca -0.45 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1vee h ALA 9 Cb 1.39 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1vee h ALA 9 CO 0.49 -0.33 -0.03 0.87 0.00 0.00 0.00 179.25 180.25 1vee h LYS 10 N 0.55 0.20 -0.39 0.00 1.57 -1.87 -1.93 116.57 114.69 1vee h LYS 10 Ca 0.51 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.19 1vee h LYS 10 Cb 1.07 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1vee h LYS 10 CO -0.25 0.53 0.16 -0.97 -0.57 0.00 0.00 179.45 178.35 1vee h ASN 11 N -0.14 0.54 -0.82 0.86 -1.24 -1.39 -2.49 115.58 110.90 1vee h ASN 11 Ca 0.02 -0.16 0.05 0.00 0.71 0.00 0.00 56.30 56.93 1vee h ASN 11 Cb 0.46 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.31 1vee h ASN 11 CO 0.01 0.55 0.51 0.00 -1.29 0.00 0.00 177.43 177.21 1vee h ALA 12 N 1.01 1.12 -0.76 1.57 0.00 -0.86 -1.05 119.26 120.28 1vee h ALA 12 Ca 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1vee h ALA 12 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1vee h ALA 12 CO -0.01 0.26 0.36 -0.92 0.00 0.00 0.00 179.25 178.94 1vee h TYR 13 N 0.94 1.10 0.48 0.00 3.20 -1.13 -1.17 116.97 120.39 1vee h TYR 13 Ca 0.35 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1vee h TYR 13 Cb 0.14 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1vee h TYR 13 CO -0.04 0.81 -0.23 1.15 -1.64 0.00 0.00 178.16 178.22 1vee h THR 14 N 1.07 0.53 -0.37 1.81 2.02 -0.92 -2.75 112.91 114.30 1vee h THR 14 Ca 0.26 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.49 1vee h THR 14 Cb 0.13 0.54 -0.09 0.00 -1.74 0.00 0.00 68.15 67.00 1vee h THR 14 CO -0.03 0.01 -0.25 0.11 0.37 0.00 0.00 175.52 175.72 1vee h LYS 15 N -0.66 -0.19 -0.08 6.66 1.79 -0.92 -0.37 116.57 122.81 1vee h LYS 15 Ca -0.07 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1vee h LYS 15 Cb 0.50 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1vee h LYS 15 CO 0.11 -0.13 0.14 -0.07 -1.08 0.00 0.00 179.45 178.42 1vee h LEU 16 N -0.20 0.00 -0.60 2.94 3.38 -1.16 0.17 115.31 119.84 1vee h LEU 16 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1vee h LEU 16 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1vee h LEU 16 CO -0.49 0.00 -0.43 0.61 0.09 0.00 0.00 178.44 178.22 1vee n GLY 17 N -1.28 -0.45 0.00 0.83 0.00 -0.19 -4.20 105.19 99.91 1vee n GLY 17 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1vee n GLY 17 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1vee n THR 18 N -0.55 0.00 -3.84 2.61 5.66 -0.27 -4.97 114.28 112.92 1vee n THR 18 Ca 0.10 -0.38 -0.27 0.00 -3.05 0.00 0.00 64.05 60.44 1vee n THR 18 Cb 0.39 1.19 -0.17 0.00 -1.55 0.00 0.00 70.33 70.19 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1vee s ASP 19 N -0.14 2.52 0.03 1.09 -1.08 0.45 -5.04 116.67 114.49 1vee s ASP 19 Ca 0.00 -0.53 -0.22 0.00 -0.52 0.00 0.00 52.55 51.28 1vee s ASP 19 Cb 0.00 -0.75 -0.16 0.00 -1.46 0.00 0.00 42.92 40.55 1vee s ASP 19 CO 0.00 -0.20 1.35 0.44 0.52 0.00 0.00 175.17 177.28 1vee h ASP 20 N 8.19 0.26 0.43 -0.34 5.19 -1.87 -3.10 116.42 125.19 1vee h ASP 20 Ca -0.23 -0.45 0.00 0.00 -0.62 0.00 0.00 57.03 55.73 1vee h ASP 20 Cb 1.12 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.56 1vee h ASP 20 CO 0.36 0.66 0.00 0.59 -3.12 0.00 0.00 179.24 177.73 1vee n ASN 21 N -4.67 0.00 -4.65 6.45 4.13 -1.26 -4.67 115.26 110.59 1vee n ASN 21 Ca -0.07 0.15 -0.43 0.00 1.68 0.00 0.00 54.58 55.92 1vee n ASN 21 Cb 0.31 -0.35 -0.02 0.00 -1.54 0.00 0.00 39.78 38.18 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vee s ALA 22 N -2.69 3.58 -0.05 5.41 0.00 -1.17 -2.78 121.76 124.06 1vee s ALA 22 Ca 0.15 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1vee s ALA 22 Cb 0.13 -3.66 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1vee s ALA 22 CO 0.30 -1.33 -0.12 -0.65 0.00 0.00 0.00 175.76 173.97 1vee s GLN 23 N 3.65 1.48 0.11 0.00 -0.21 -0.22 -4.84 119.66 119.63 1vee s GLN 23 Ca 0.54 -0.39 -0.31 0.00 0.02 0.00 0.00 55.36 55.22 1vee s GLN 23 Cb -0.19 -1.27 -0.09 0.00 1.00 0.00 0.00 33.01 32.46 1vee s GLN 23 CO 0.16 0.07 1.58 -1.17 -2.12 0.00 0.00 175.29 173.81 1vee s LEU 24 N 0.50 4.37 -0.40 2.90 1.98 -1.26 -1.91 118.68 124.85 1vee s LEU 24 Ca -0.10 2.51 -0.07 0.00 -2.89 0.00 0.00 54.13 53.57 1vee s LEU 24 Cb -0.14 -3.58 0.09 0.00 0.66 0.00 0.00 46.19 43.22 1vee s LEU 24 CO 0.03 -0.83 0.22 -0.22 -1.89 0.00 0.00 176.35 173.65 1vee s LEU 25 N 1.88 5.06 -0.51 -0.68 2.96 0.56 -2.32 118.68 125.64 1vee s LEU 25 Ca 0.71 -1.64 -0.27 0.00 -0.22 0.00 0.00 54.13 52.72 1vee s LEU 25 Cb -0.41 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.40 1vee s LEU 25 CO 0.31 -0.51 1.04 -1.81 -1.32 0.00 0.00 176.35 174.06 1vee s ASP 26 N 1.97 6.49 0.00 3.68 1.01 -0.19 -0.84 116.67 128.79 1vee s ASP 26 Ca 0.03 0.10 0.21 0.00 0.71 0.00 0.00 52.55 53.61 1vee s ASP 26 Cb -0.23 -2.49 0.17 0.00 1.01 0.00 0.00 42.92 41.38 1vee s ASP 26 CO -0.00 -1.23 1.17 2.30 0.21 0.00 0.00 175.17 177.62 1vee n ILE 27 N 6.54 0.01 -0.58 0.77 -5.35 -0.60 -1.61 119.36 118.54 1vee n ILE 27 Ca 0.07 -0.50 -0.28 0.00 -0.27 0.00 0.00 62.75 61.76 1vee n ILE 27 Cb 0.49 1.43 0.24 0.00 -1.74 0.00 0.00 39.64 40.06 1vee n ILE 27 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1vee s ARG 28 N -1.76 -0.74 0.18 6.28 0.52 -1.26 -2.57 118.95 119.60 1vee s ARG 28 Ca 0.25 0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 56.04 1vee s ARG 28 Cb 0.18 -1.57 -0.07 0.00 0.52 0.00 0.00 34.95 34.00 1vee s ARG 28 CO 0.26 -3.62 1.00 0.00 0.02 0.00 0.00 175.30 172.97 1vee s ALA 29 N -2.50 3.31 0.33 2.13 0.00 -1.26 -4.31 121.76 119.47 1vee s ALA 29 Ca 0.68 0.67 0.18 0.00 0.00 0.00 0.00 51.96 53.50 1vee s ALA 29 Cb -0.25 -3.28 1.20 0.00 0.00 0.00 0.00 23.12 20.80 1vee s ALA 29 CO 0.64 -0.02 1.44 2.41 0.00 0.00 0.00 175.76 180.23 1vee n THR 30 N 2.21 -0.38 -0.20 0.00 -1.04 -1.26 -0.77 114.28 112.83 1vee n THR 30 Ca 0.01 1.86 0.03 0.00 -2.04 0.00 0.00 64.05 63.91 1vee n THR 30 Cb 0.47 -3.01 0.28 0.00 -1.82 0.00 0.00 70.33 66.26 1vee n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vee h ALA 31 N 1.82 1.55 -0.71 2.41 0.00 -2.01 -2.48 119.26 119.85 1vee h ALA 31 Ca 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.63 1vee h ALA 31 Cb 2.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1vee h ALA 31 CO -0.71 0.39 0.44 0.22 0.00 0.00 0.00 179.25 179.59 1vee h ASP 32 N 0.92 0.83 0.18 0.00 1.82 -1.31 -1.14 116.42 117.72 1vee h ASP 32 Ca 0.29 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1vee h ASP 32 Cb 0.01 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 39.81 1vee h ASP 32 CO -0.08 0.62 0.00 0.49 -1.61 0.00 0.00 179.24 178.67 1vee n PHE 33 N -4.41 0.00 -0.04 0.28 3.01 -0.93 -0.32 117.46 115.05 1vee n PHE 33 Ca 0.07 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.50 1vee n PHE 33 Cb 0.05 -0.32 -0.07 0.00 -0.01 0.00 0.00 39.48 39.14 1vee n PHE 33 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1vee n ARG 34 N -1.32 2.49 -0.08 -1.08 5.12 -0.51 -4.26 116.66 117.02 1vee n ARG 34 Ca 0.04 -0.01 -0.08 0.00 -1.93 0.00 0.00 57.85 55.87 1vee n ARG 34 Cb 0.07 -1.22 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 1vee n ARG 34 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1vee n GLN 35 N -2.28 0.49 -0.01 5.56 1.13 -0.55 -4.73 117.38 116.99 1vee n GLN 35 Ca -0.13 0.39 -0.02 0.00 -1.94 0.00 0.00 57.00 55.30 1vee n GLN 35 Cb 0.74 -1.58 -0.12 0.00 0.11 0.00 0.00 30.24 29.40 1vee n GLN 35 CO 0.00 0.00 0.00 1.55 -1.44 0.00 0.00 177.06 177.17 1vee n VAL 36 N -4.53 1.11 0.00 5.09 3.14 0.57 -4.67 118.33 119.03 1vee n VAL 36 Ca -0.12 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.54 1vee n VAL 36 Cb 0.40 -0.60 0.00 0.00 -1.06 0.00 0.00 33.84 32.59 1vee n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vee n GLY 37 N 1.47 -0.61 3.18 7.55 0.00 -0.34 -4.25 105.19 112.18 1vee n GLY 37 Ca -0.15 -1.89 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 1vee n GLY 37 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vee s SER 38 N -4.00 0.27 0.92 1.61 1.04 -0.89 -3.76 113.70 108.89 1vee s SER 38 Ca 0.00 -0.92 -0.13 0.00 0.48 0.00 0.00 55.95 55.38 1vee s SER 38 Cb 0.00 0.30 0.19 0.00 0.10 0.00 0.00 66.02 66.61 1vee s SER 38 CO 0.00 -0.71 1.26 -2.16 0.98 0.00 0.00 173.24 172.61 1vee s PRO 39 N -3.94 0.79 -0.03 4.02 0.04 -1.26 -0.83 135.00 133.80 1vee s PRO 39 Ca 0.12 -0.58 -0.07 0.00 0.04 0.00 0.00 61.00 60.50 1vee s PRO 39 Cb 0.06 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.67 1vee s PRO 39 CO -0.06 -2.26 0.17 1.21 0.04 0.00 0.00 177.00 176.10 1vee s ASN 40 N -4.88 -0.08 -0.00 6.66 2.47 -1.25 -4.55 114.94 113.31 1vee s ASN 40 Ca 0.73 0.05 0.00 0.00 0.42 0.00 0.00 52.86 54.07 1vee s ASN 40 Cb -0.04 0.28 0.01 0.00 -1.45 0.00 0.00 41.25 40.05 1vee s ASN 40 CO 0.51 -0.25 0.71 2.30 -3.72 0.00 0.00 177.10 176.66 1vee n ILE 41 N 2.08 0.09 0.24 -5.21 -5.35 -1.26 -4.74 119.36 105.22 1vee n ILE 41 Ca -0.18 -0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.33 1vee n ILE 41 Cb 0.57 0.78 0.78 0.00 -1.74 0.00 0.00 39.64 40.02 1vee n ILE 41 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1vee h LYS 42 N 0.00 0.00 -0.69 6.28 1.57 -1.69 0.01 116.57 122.06 1vee h LYS 42 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1vee h LYS 42 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1vee h LYS 42 CO 0.00 0.00 0.35 0.78 -0.57 0.00 0.00 179.45 180.01 1vee h GLY 43 N 0.00 1.03 2.00 3.86 0.00 -1.89 -1.06 103.07 107.01 1vee h GLY 43 Ca 0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 1vee h GLY 43 CO -0.00 0.46 -0.43 1.41 0.00 0.00 0.00 176.54 177.98 1vee h LEU 44 N 0.97 0.00 0.00 3.11 3.38 -1.39 -3.46 115.31 117.92 1vee h LEU 44 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1vee h LEU 44 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1vee h LEU 44 CO -0.04 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.53 1vee n GLY 45 N -0.06 1.57 3.03 0.83 0.00 -0.40 -4.96 105.19 105.21 1vee n GLY 45 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1vee n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vee n LYS 46 N -0.81 0.63 -3.81 1.61 4.76 -0.97 -4.94 118.16 114.62 1vee n LYS 46 Ca 0.00 -3.11 -0.12 0.00 -2.87 0.00 0.00 58.31 52.20 1vee n LYS 46 Cb 0.00 1.66 -0.09 0.00 -1.84 0.00 0.00 35.03 34.76 1vee n LYS 46 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1vee s LYS 47 N -3.41 0.60 0.95 1.97 0.00 -1.26 -1.68 119.74 116.91 1vee s LYS 47 Ca 0.18 -0.32 -0.14 0.00 0.00 0.00 0.00 55.97 55.69 1vee s LYS 47 Cb 0.01 0.26 0.21 0.00 0.00 0.00 0.00 37.83 38.31 1vee s LYS 47 CO 0.13 -0.16 1.29 0.00 0.00 0.00 0.00 175.35 176.61 1vee s ALA 48 N -1.48 2.45 -0.02 0.59 0.00 -1.26 -4.59 121.76 117.44 1vee s ALA 48 Ca -0.13 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.39 1vee s ALA 48 Cb -0.06 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.51 1vee s ALA 48 CO 0.02 -2.42 -0.01 0.08 0.00 0.00 0.00 175.76 173.43 1vee s VAL 49 N -3.82 0.18 -0.20 0.00 1.01 -0.98 -4.99 120.40 111.60 1vee s VAL 49 Ca 0.75 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 1vee s VAL 49 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.11 1vee s VAL 49 CO 0.52 0.12 -0.08 -0.94 0.00 0.00 0.00 175.10 174.72 1vee s SER 50 N 0.67 4.04 -0.23 3.32 1.04 -1.26 -1.02 113.70 120.27 1vee s SER 50 Ca -0.07 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 1vee s SER 50 Cb -0.10 -1.68 0.11 0.00 0.10 0.00 0.00 66.02 64.46 1vee s SER 50 CO -0.01 0.00 0.27 -0.89 0.98 0.00 0.00 173.24 173.59 1vee s THR 51 N 1.32 -0.39 -0.02 2.02 2.01 -0.63 -4.99 115.64 114.96 1vee s THR 51 Ca 0.04 -0.18 -0.32 0.00 0.31 0.00 0.00 61.69 61.54 1vee s THR 51 Cb -0.14 -0.77 -0.10 0.00 0.01 0.00 0.00 72.50 71.50 1vee s THR 51 CO -0.04 -0.24 1.94 0.52 -0.69 0.00 0.00 174.62 176.11 1vee n VAL 52 N 5.33 0.70 -2.48 3.82 0.31 -1.26 -4.26 118.33 120.48 1vee n VAL 52 Ca -0.04 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.73 1vee n VAL 52 Cb 0.49 -2.15 -0.03 0.00 -0.91 0.00 0.00 33.84 31.25 1vee n VAL 52 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1vee s TYR 53 N 4.36 3.18 -0.14 3.52 5.04 -1.06 -4.91 117.35 127.34 1vee s TYR 53 Ca 0.91 1.23 -0.01 0.00 -2.44 0.00 0.00 57.07 56.75 1vee s TYR 53 Cb -0.54 -3.41 0.04 0.00 0.35 0.00 0.00 41.96 38.40 1vee s TYR 53 CO 0.46 -1.25 -0.04 -0.80 -1.34 0.00 0.00 175.55 172.58 1vee s ASN 54 N 1.50 2.43 0.54 4.32 -0.87 -1.26 -5.03 114.94 116.58 1vee s ASN 54 Ca 0.55 -0.48 0.23 0.00 -1.57 0.00 0.00 52.86 51.59 1vee s ASN 54 Cb -0.23 -0.76 1.49 0.00 -0.02 0.00 0.00 41.25 41.72 1vee s ASN 54 CO 0.20 -0.18 2.17 1.23 -2.57 0.00 0.00 177.10 177.94 1vee h GLY 55 N 8.19 0.00 2.00 0.66 0.00 -1.99 -0.37 103.07 111.57 1vee h GLY 55 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1vee h GLY 55 CO 0.37 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.74 1vee h GLU 56 N 0.00 0.00 -0.15 4.80 5.08 -2.02 -3.27 114.58 119.01 1vee h GLU 56 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1vee h GLU 56 Cb 0.08 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.15 1vee h GLU 56 CO 0.00 0.00 -0.71 -0.25 -1.00 0.00 0.00 179.01 177.05 1vee n ASP 57 N -2.36 2.08 -0.28 1.42 8.00 -0.17 -4.93 116.55 120.29 1vee n ASP 57 Ca 0.03 -3.34 -0.07 0.00 0.71 0.00 0.00 54.79 52.12 1vee n ASP 57 Cb 0.32 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.95 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1vee h LYS 58 N 1.30 -0.14 -0.55 -1.24 1.57 -1.56 0.38 116.57 116.34 1vee h LYS 58 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1vee h LYS 58 Cb 1.31 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.62 1vee h LYS 58 CO 0.16 -0.09 0.14 -1.00 -0.57 0.00 0.00 179.45 178.09 1vee h PRO 59 N -0.14 0.84 0.00 3.15 0.13 -1.91 -0.58 132.00 133.48 1vee h PRO 59 Ca 0.21 -0.17 -0.06 0.00 -0.87 0.00 0.00 66.00 65.12 1vee h PRO 59 Cb 0.54 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1vee h PRO 59 CO -0.80 0.75 -0.27 0.78 -0.23 0.00 0.00 178.00 178.23 1vee h GLY 60 N 0.97 0.00 0.00 1.56 0.00 -1.42 -1.31 103.07 102.87 1vee h GLY 60 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1vee h GLY 60 CO -0.00 0.00 -0.16 -2.75 0.00 0.00 0.00 176.54 173.63 1vee h PHE 61 N 0.00 0.00 -0.75 5.60 3.57 0.06 -3.35 116.94 122.07 1vee h PHE 61 Ca -0.00 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.64 1vee h PHE 61 Cb 0.64 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.28 1vee h PHE 61 CO 0.00 0.36 0.28 -0.07 -2.23 0.00 0.00 178.31 176.65 1vee h LEU 62 N -1.00 0.23 -1.32 0.59 3.38 -1.09 -1.44 115.31 114.67 1vee h LEU 62 Ca -0.02 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1vee h LEU 62 Cb 0.42 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1vee h LEU 62 CO -0.01 0.08 0.51 0.07 0.09 0.00 0.00 178.44 179.17 1vee h LYS 63 N 0.41 0.79 0.00 1.13 2.10 -1.40 -0.70 116.57 118.90 1vee h LYS 63 Ca 0.41 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1vee h LYS 63 Cb 0.64 -0.18 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 1vee h LYS 63 CO -0.42 0.53 -0.01 0.87 -2.00 0.00 0.00 179.45 178.42 1vee h LYS 64 N 0.82 0.00 0.05 0.07 1.57 -1.39 -1.55 116.57 116.13 1vee h LYS 64 Ca 0.34 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.75 1vee h LYS 64 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1vee h LYS 64 CO -0.12 0.01 -2.11 1.28 -0.57 0.00 0.00 179.45 177.93 1vee n LEU 65 N -3.17 2.51 -0.22 2.94 7.99 -0.36 -4.34 117.00 122.35 1vee n LEU 65 Ca -0.02 0.16 0.19 0.00 -0.01 0.00 0.00 56.01 56.32 1vee n LEU 65 Cb 0.12 -0.98 0.52 0.00 -0.11 0.00 0.00 43.42 42.96 1vee n LEU 65 CO 0.22 0.74 1.22 -1.28 -1.51 0.00 0.00 177.39 176.78 1vee h SER 66 N -0.30 0.39 0.54 -1.43 0.87 -0.69 0.28 113.55 113.21 1vee h SER 66 Ca -0.51 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1vee h SER 66 Cb 1.80 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 1vee h SER 66 CO -0.10 0.16 0.00 0.00 -0.53 0.00 0.00 176.83 176.36 1vee n LEU 67 N -4.50 0.00 -0.03 2.23 -0.00 -0.64 -3.80 117.00 110.27 1vee n LEU 67 Ca 0.18 0.30 -0.04 0.00 -0.00 0.00 0.00 56.01 56.46 1vee n LEU 67 Cb 0.67 -0.30 -0.03 0.00 -0.00 0.00 0.00 43.42 43.76 1vee n LEU 67 CO 0.31 -0.03 -0.68 2.29 -0.00 0.00 0.00 177.39 179.28 1vee n LYS 68 N -1.30 0.96 -3.04 1.47 -0.00 -0.06 -4.94 118.16 111.25 1vee n LYS 68 Ca 0.12 0.02 -0.44 0.00 -0.00 0.00 0.00 58.31 58.02 1vee n LYS 68 Cb 0.22 -1.12 -0.05 0.00 -0.00 0.00 0.00 35.03 34.09 1vee n LYS 68 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1vee s PHE 69 N -2.11 2.94 -0.26 5.58 0.08 -0.35 -4.91 117.98 118.94 1vee s PHE 69 Ca -0.06 -0.51 0.28 0.00 0.12 0.00 0.00 56.93 56.76 1vee s PHE 69 Cb 0.02 -3.83 0.95 0.00 -0.57 0.00 0.00 43.02 39.59 1vee s PHE 69 CO 0.15 -1.23 1.81 1.57 -0.10 0.00 0.00 175.22 177.42 1vee h LYS 70 N 9.17 0.00 -2.08 0.44 -0.00 -1.89 -3.35 116.57 118.86 1vee h LYS 70 Ca -0.28 0.00 -0.57 0.00 -0.00 0.00 0.00 60.65 59.81 1vee h LYS 70 Cb 1.09 0.00 -0.40 0.00 -0.00 0.00 0.00 32.23 32.91 1vee h LYS 70 CO 1.04 0.00 -0.92 -0.25 -0.00 0.00 0.00 179.45 179.33 1vee n ASP 71 N -2.83 1.72 0.11 7.07 9.92 -1.26 -4.95 116.55 126.33 1vee n ASP 71 Ca 0.02 -3.04 0.05 0.00 -0.53 0.00 0.00 54.79 51.29 1vee n ASP 71 Cb 0.37 -0.64 0.49 0.00 -0.64 0.00 0.00 41.12 40.70 1vee n ASP 71 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1vee h PRO 72 N 3.88 0.31 0.00 -0.24 0.13 -1.92 -2.95 132.00 131.21 1vee h PRO 72 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1vee h PRO 72 Cb 0.79 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1vee h PRO 72 CO 0.61 0.24 0.24 1.05 -0.23 0.00 0.00 178.00 179.92 1vee h GLU 73 N 0.32 0.00 0.00 0.86 4.11 -1.89 -0.78 114.58 117.20 1vee h GLU 73 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1vee h GLU 73 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1vee h GLU 73 CO -0.01 0.00 0.00 0.27 0.07 0.00 0.00 179.01 179.34 1vee n ASN 74 N -2.92 1.40 -4.39 3.06 0.23 -1.12 -3.61 115.26 107.91 1vee n ASN 74 Ca -0.02 -1.64 -0.40 0.00 -0.53 0.00 0.00 54.58 51.99 1vee n ASN 74 Cb 0.30 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.88 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1vee s THR 75 N -0.64 4.58 -0.05 5.53 2.01 -0.42 -4.69 115.64 121.96 1vee s THR 75 Ca 0.00 -0.73 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 1vee s THR 75 Cb 0.00 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1vee s THR 75 CO 0.00 -0.15 0.83 -0.89 -0.69 0.00 0.00 174.62 173.72 1vee s THR 76 N 1.57 4.96 -0.53 -0.82 2.01 -1.12 -3.29 115.64 118.42 1vee s THR 76 Ca 0.03 1.72 -0.18 0.00 0.31 0.00 0.00 61.69 63.57 1vee s THR 76 Cb -0.19 -4.16 0.09 0.00 0.01 0.00 0.00 72.50 68.25 1vee s THR 76 CO 0.07 0.19 0.57 -0.76 -0.69 0.00 0.00 174.62 174.00 1vee s LEU 77 N 1.03 5.49 -0.91 4.42 1.43 -0.82 -1.06 118.68 128.27 1vee s LEU 77 Ca 0.43 -1.35 -0.22 0.00 -1.03 0.00 0.00 54.13 51.97 1vee s LEU 77 Cb -0.19 -2.29 0.08 0.00 0.03 0.00 0.00 46.19 43.81 1vee s LEU 77 CO 0.21 -0.90 1.25 -0.31 0.23 0.00 0.00 176.35 176.83 1vee s TYR 78 N 2.22 2.73 0.05 0.29 1.51 -0.80 -2.17 117.35 121.16 1vee s TYR 78 Ca 0.09 -0.90 -0.31 0.00 -1.01 0.00 0.00 57.07 54.95 1vee s TYR 78 Cb -0.24 -4.49 -0.06 0.00 -0.11 0.00 0.00 41.96 37.06 1vee s TYR 78 CO 0.07 -1.76 1.39 0.42 -1.11 0.00 0.00 175.55 174.56 1vee s ILE 79 N 4.14 3.57 -0.07 2.71 1.01 0.58 -0.32 121.20 132.83 1vee s ILE 79 Ca 0.37 1.04 0.03 0.00 0.00 0.00 0.00 60.65 62.09 1vee s ILE 79 Cb -0.05 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.76 1vee s ILE 79 CO -0.04 0.03 -0.15 -0.22 0.00 0.00 0.00 174.94 174.57 1vee s LEU 80 N 1.87 1.75 0.00 2.97 2.96 -0.02 -1.32 118.68 126.89 1vee s LEU 80 Ca 0.64 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1vee s LEU 80 Cb -0.33 -0.92 -0.00 0.00 0.50 0.00 0.00 46.19 45.43 1vee s LEU 80 CO 0.28 0.07 0.01 -0.67 -1.32 0.00 0.00 176.35 174.73 1vee n ASP 81 N 3.65 0.27 -0.02 3.68 2.03 -1.26 -1.56 116.55 123.34 1vee n ASP 81 Ca -0.21 -1.12 -0.11 0.00 0.52 0.00 0.00 54.79 53.86 1vee n ASP 81 Cb 0.52 0.08 -0.05 0.00 -0.72 0.00 0.00 41.12 40.95 1vee n ASP 81 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1vee h LYS 82 N 0.00 0.18 0.00 -0.67 2.10 -1.94 -3.16 116.57 113.08 1vee h LYS 82 Ca -0.01 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.48 1vee h LYS 82 Cb 0.07 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.33 1vee h LYS 82 CO 0.02 0.25 -0.12 1.19 -2.00 0.00 0.00 179.45 178.79 1vee n PHE 83 N -4.92 -0.28 -0.28 0.07 3.72 -1.26 -1.66 117.46 112.84 1vee n PHE 83 Ca -0.05 -0.78 0.34 0.00 -0.05 0.00 0.00 57.45 56.90 1vee n PHE 83 Cb 0.10 0.09 0.74 0.00 -0.94 0.00 0.00 39.48 39.47 1vee n PHE 83 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1vee h ASP 84 N 0.58 0.00 0.00 4.37 3.32 -1.85 -3.39 116.42 119.44 1vee h ASP 84 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1vee h ASP 84 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1vee h ASP 84 CO 0.10 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.23 1vee n GLY 85 N -1.76 0.11 0.46 2.75 0.00 -1.26 -1.91 105.19 103.58 1vee n GLY 85 Ca 0.24 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.36 1vee n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vee n ASN 86 N 0.25 2.02 -0.20 1.61 3.02 -1.26 -4.70 115.26 116.00 1vee n ASN 86 Ca 0.00 -1.51 0.01 0.00 -0.03 0.00 0.00 54.58 53.04 1vee n ASN 86 Cb 0.00 -0.02 0.11 0.00 -0.61 0.00 0.00 39.78 39.26 1vee n ASN 86 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1vee h SER 87 N 2.17 -0.04 0.36 6.41 0.02 -1.67 0.21 113.55 121.01 1vee h SER 87 Ca 0.00 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1vee h SER 87 Cb 0.49 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.20 1vee h SER 87 CO 0.00 -0.01 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.26 1vee h GLU 88 N 0.23 0.00 0.11 3.45 5.08 -1.84 -1.85 114.58 119.76 1vee h GLU 88 Ca 0.31 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.38 1vee h GLU 88 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1vee h GLU 88 CO -0.42 0.09 -1.56 1.25 -1.00 0.00 0.00 179.01 177.37 1vee h LEU 89 N 0.00 0.37 -1.77 1.33 5.85 -1.25 -3.30 115.31 116.55 1vee h LEU 89 Ca -0.00 -0.85 -0.02 0.00 0.84 0.00 0.00 57.88 57.85 1vee h LEU 89 Cb 0.29 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 1vee h LEU 89 CO 0.01 1.67 -0.08 0.58 -0.34 0.00 0.00 178.44 180.29 1vee h VAL 90 N -0.26 1.08 -0.73 1.05 2.07 -0.52 -1.89 116.25 117.05 1vee h VAL 90 Ca -0.34 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 66.88 1vee h VAL 90 Cb 1.80 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.66 1vee h VAL 90 CO 0.05 0.11 0.44 0.00 0.02 0.00 0.00 177.57 178.18 1vee h ALA 91 N 1.88 0.98 -0.25 1.67 0.00 -1.47 -2.11 119.26 119.95 1vee h ALA 91 Ca 0.01 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1vee h ALA 91 Cb 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1vee h ALA 91 CO 0.01 0.16 -0.28 1.49 0.00 0.00 0.00 179.25 180.63 1vee h GLU 92 N 0.81 0.63 0.17 0.00 4.57 -1.50 -2.64 114.58 116.62 1vee h GLU 92 Ca 0.32 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1vee h GLU 92 Cb 0.14 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1vee h GLU 92 CO -0.16 0.95 -0.35 1.25 -1.18 0.00 0.00 179.01 179.53 1vee h LEU 93 N 0.35 -0.99 -1.13 1.64 5.85 -1.02 0.14 115.31 120.15 1vee h LEU 93 Ca 0.04 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1vee h LEU 93 Cb 0.85 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 1vee h LEU 93 CO 0.07 -0.44 0.02 -0.37 -0.34 0.00 0.00 178.44 177.37 1vee h VAL 94 N -0.61 1.21 -0.61 1.05 -1.51 -1.48 -1.94 116.25 112.36 1vee h VAL 94 Ca 0.02 -0.84 -0.07 0.00 -1.23 0.00 0.00 66.70 64.58 1vee h VAL 94 Cb 0.61 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.65 1vee h VAL 94 CO -0.17 0.29 0.11 0.00 -1.23 0.00 0.00 177.57 176.58 1vee h ALA 95 N 1.43 0.81 -0.44 5.19 0.00 -1.06 -0.48 119.26 124.71 1vee h ALA 95 Ca 0.13 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1vee h ALA 95 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1vee h ALA 95 CO 0.01 0.56 -0.16 -0.07 0.00 0.00 0.00 179.25 179.59 1vee h LEU 96 N 0.91 0.84 0.06 0.00 -0.00 -0.70 -3.05 115.31 113.37 1vee h LEU 96 Ca 0.19 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1vee h LEU 96 Cb 0.41 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.84 1vee h LEU 96 CO 0.01 0.99 -0.03 0.78 -0.00 0.00 0.00 178.44 180.20 1vee h ASN 97 N 0.74 -0.06 0.00 -0.43 2.35 -1.02 -3.47 115.58 113.70 1vee h ASN 97 Ca 0.11 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1vee h ASN 97 Cb 0.67 0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1vee h ASN 97 CO 0.05 0.02 0.00 0.61 -1.65 0.00 0.00 177.43 176.46 1vee n GLY 98 N -0.95 -0.18 3.68 2.83 0.00 -0.59 -5.11 105.19 104.87 1vee n GLY 98 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1vee n GLY 98 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1vee n PHE 99 N 0.00 1.28 0.00 1.61 3.01 -0.29 -3.85 117.46 119.23 1vee n PHE 99 Ca 0.00 0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1vee n PHE 99 Cb 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 39.48 37.32 1vee n PHE 99 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1vee n LYS 100 N -2.40 0.00 -3.93 -1.08 3.00 -0.49 -4.51 118.16 108.74 1vee n LYS 100 Ca 0.14 0.82 -0.11 0.00 -0.00 0.00 0.00 58.31 59.16 1vee n LYS 100 Cb 0.49 -1.49 -0.01 0.00 0.00 0.00 0.00 35.03 34.02 1vee n LYS 100 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1vee s SER 101 N -2.65 0.33 -0.27 3.14 0.01 -1.26 -5.00 113.70 108.00 1vee s SER 101 Ca 0.00 -1.22 -0.22 0.00 1.31 0.00 0.00 55.95 55.82 1vee s SER 101 Cb 0.00 0.75 0.07 0.00 0.21 0.00 0.00 66.02 67.06 1vee s SER 101 CO 0.00 -1.48 0.71 0.00 0.41 0.00 0.00 173.24 172.89 1vee s ALA 102 N -2.84 -1.82 0.18 1.44 0.00 -1.26 -1.94 121.76 115.52 1vee s ALA 102 Ca 0.21 2.17 0.08 0.00 0.00 0.00 0.00 51.96 54.42 1vee s ALA 102 Cb -0.03 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.78 1vee s ALA 102 CO 0.14 -0.35 -0.07 0.71 0.00 0.00 0.00 175.76 176.19 1vee s TYR 103 N 0.81 2.70 -0.25 0.00 1.51 -0.92 -4.16 117.35 117.04 1vee s TYR 103 Ca -0.03 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1vee s TYR 103 Cb -0.05 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.52 1vee s TYR 103 CO -0.06 0.52 -0.08 0.00 -1.11 0.00 0.00 175.55 174.82 1vee s ALA 104 N -1.72 2.65 -0.38 3.71 0.00 -0.19 -0.31 121.76 125.52 1vee s ALA 104 Ca 0.26 -1.53 -0.28 0.00 0.00 0.00 0.00 51.96 50.41 1vee s ALA 104 Cb -0.09 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 1vee s ALA 104 CO 0.16 -0.89 1.95 0.42 0.00 0.00 0.00 175.76 177.40 1vee s ILE 105 N 1.27 3.32 0.12 0.00 1.09 -0.43 -0.70 121.20 125.88 1vee s ILE 105 Ca -0.02 0.30 -0.31 0.00 -1.10 0.00 0.00 60.65 59.52 1vee s ILE 105 Cb -0.17 -3.52 -0.09 0.00 -1.06 0.00 0.00 42.46 37.61 1vee s ILE 105 CO -0.05 -0.39 1.59 -0.75 -0.10 0.00 0.00 174.94 175.24 1vee s LYS 106 N 6.33 4.21 0.00 2.79 2.36 -0.84 -1.51 119.74 133.08 1vee s LYS 106 Ca 0.83 2.33 0.00 0.00 -2.55 0.00 0.00 55.97 56.58 1vee s LYS 106 Cb -0.22 -3.34 0.00 0.00 -1.05 0.00 0.00 37.83 33.23 1vee s LYS 106 CO 0.31 -0.65 0.00 -0.25 1.55 0.00 0.00 175.35 176.31 1vee n ASP 107 N 4.62 -3.82 0.00 1.43 8.00 -1.26 -3.95 116.55 121.57 1vee n ASP 107 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1vee n ASP 107 Cb 0.39 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vee n GLY 108 N -1.85 1.90 0.00 0.44 0.00 -0.57 -1.71 105.19 103.41 1vee n GLY 108 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1vee n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vee n ALA 109 N 8.80 0.84 0.81 4.61 0.00 -0.66 -0.69 120.51 134.22 1vee n ALA 109 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.52 1vee n ALA 109 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1vee n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1vee n GLU 110 N -0.38 1.64 -2.06 0.00 1.02 -0.68 -3.99 120.64 116.20 1vee n GLU 110 Ca 0.00 -1.40 -0.17 0.00 -0.02 0.00 0.00 57.16 55.57 1vee n GLU 110 Cb 0.01 -1.36 0.09 0.00 -0.02 0.00 0.00 31.44 30.16 1vee n GLU 110 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1vee n GLY 111 N 1.14 0.68 0.36 0.62 0.00 -0.69 -4.95 105.19 102.35 1vee n GLY 111 Ca 0.10 -2.01 0.08 0.00 0.00 0.00 0.00 46.02 44.19 1vee n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee h PRO 112 N 0.00 0.94 0.00 1.61 0.13 -1.95 -2.78 132.00 129.95 1vee h PRO 112 Ca -0.25 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1vee h PRO 112 Cb 0.91 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 1vee h PRO 112 CO 0.26 0.62 -0.16 2.89 -0.23 0.00 0.00 178.00 181.39 1vee n ARG 113 N -4.63 1.12 -0.45 0.86 0.00 -1.26 -4.78 116.66 107.51 1vee n ARG 113 Ca 0.19 -2.45 -0.29 0.00 -0.00 0.00 0.00 57.85 55.31 1vee n ARG 113 Cb 0.38 -1.34 0.26 0.00 -0.00 0.00 0.00 32.46 31.75 1vee n ARG 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vee n GLY 114 N -1.16 -2.51 0.34 2.89 0.00 -1.05 -4.24 105.19 99.46 1vee n GLY 114 Ca 0.14 -1.22 0.15 0.00 0.00 0.00 0.00 46.02 45.09 1vee n GLY 114 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1vee h TRP 115 N -2.81 -0.00 0.52 1.61 2.91 -1.10 -0.07 115.95 117.01 1vee h TRP 115 Ca -0.58 0.07 -0.03 0.00 1.13 0.00 0.00 58.89 59.49 1vee h TRP 115 Cb 1.33 0.16 0.01 0.00 -0.51 0.00 0.00 29.16 30.14 1vee h TRP 115 CO -0.49 -0.41 -0.25 -0.07 -1.03 0.00 0.00 178.44 176.18 1vee h LEU 116 N 0.02 -0.59 0.00 0.65 3.38 -1.85 -3.05 115.31 113.87 1vee h LEU 116 Ca 0.60 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.51 1vee h LEU 116 Cb 1.23 0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1vee h LEU 116 CO -0.89 -0.24 0.00 0.59 0.09 0.00 0.00 178.44 177.99 1vee n ASN 117 N -5.29 0.00 -0.97 -0.43 4.13 -0.58 -2.22 115.26 109.90 1vee n ASN 117 Ca -0.11 0.04 0.12 0.00 1.68 0.00 0.00 54.58 56.30 1vee n ASN 117 Cb 0.32 -0.22 0.24 0.00 -1.54 0.00 0.00 39.78 38.58 1vee n ASN 117 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1vee n SER 118 N -1.22 2.91 -0.03 6.41 3.41 -0.14 -4.78 113.62 120.18 1vee n SER 118 Ca 0.06 -1.91 -0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1vee n SER 118 Cb 0.07 -0.17 -0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1vee n SER 119 N 1.16 -3.41 -4.82 4.04 2.88 -0.94 -4.96 113.62 107.57 1vee n SER 119 Ca 0.18 0.01 -0.33 0.00 -1.33 0.00 0.00 58.87 57.40 1vee n SER 119 Cb 0.54 -0.94 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1vee s LEU 120 N -0.08 3.70 0.36 2.46 1.43 -1.16 -5.03 118.68 120.36 1vee s LEU 120 Ca 0.00 1.70 -0.27 0.00 -1.03 0.00 0.00 54.13 54.53 1vee s LEU 120 Cb 0.00 -4.53 -0.09 0.00 0.03 0.00 0.00 46.19 41.60 1vee s LEU 120 CO 0.00 -0.68 1.12 -2.16 0.23 0.00 0.00 176.35 174.86 1vee s PRO 121 N -3.76 4.29 -0.05 1.29 0.04 -1.26 -4.72 135.00 130.83 1vee s PRO 121 Ca 0.62 1.77 -0.07 0.00 0.04 0.00 0.00 61.00 63.36 1vee s PRO 121 Cb -0.12 -2.84 0.01 0.00 0.04 0.00 0.00 34.50 31.60 1vee s PRO 121 CO 0.27 -0.09 0.17 -0.46 0.04 0.00 0.00 177.00 176.93 1vee s TRP 122 N -1.37 -0.15 -0.81 0.56 -0.11 -1.26 -3.88 118.94 111.91 1vee s TRP 122 Ca 0.53 0.36 -0.18 0.00 1.22 0.00 0.00 56.10 58.02 1vee s TRP 122 Cb -0.29 0.04 0.14 0.00 -1.50 0.00 0.00 33.47 31.86 1vee s TRP 122 CO 0.37 -0.14 0.95 0.42 -4.62 0.00 0.00 176.95 173.94 1vee s ILE 123 N -0.23 4.89 0.42 5.86 1.01 -0.01 -4.91 121.20 128.22 1vee s ILE 123 Ca -0.03 -1.53 -0.22 0.00 0.00 0.00 0.00 60.65 58.87 1vee s ILE 123 Cb -0.03 -4.65 -0.10 0.00 0.01 0.00 0.00 42.46 37.69 1vee s ILE 123 CO 0.01 -1.33 0.97 -1.61 0.00 0.00 0.00 174.94 172.98 1vee s GLU 124 N 2.30 4.23 0.00 2.79 2.02 -1.26 -2.10 118.70 126.67 1vee s GLU 124 Ca 0.24 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1vee s GLU 124 Cb -0.11 -2.31 0.00 0.00 0.10 0.00 0.00 34.13 31.81 1vee s GLU 124 CO -0.04 -0.04 0.00 -0.35 0.02 0.00 0.00 175.26 174.84 1vee n PRO 125 N -0.42 1.90 -2.73 0.39 -0.04 -1.26 -4.97 135.00 127.87 1vee n PRO 125 Ca 0.06 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.24 1vee n PRO 125 Cb 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.97 1vee n PRO 125 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1vee n LYS 126 N 0.00 3.40 -4.49 0.54 4.81 -1.26 -5.04 118.16 116.13 1vee n LYS 126 Ca 0.00 -4.69 -0.25 0.00 -0.87 0.00 0.00 58.31 52.51 1vee n LYS 126 Cb 0.00 -2.26 -0.13 0.00 0.02 0.00 0.00 35.03 32.66 1vee n LYS 126 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1vee s LYS 127 N -3.56 1.26 -0.26 1.64 2.36 -1.26 -5.15 119.74 114.77 1vee s LYS 127 Ca 0.48 -1.02 -0.09 0.00 -2.55 0.00 0.00 55.97 52.79 1vee s LYS 127 Cb 0.32 -1.43 0.11 0.00 -1.05 0.00 0.00 37.83 35.79 1vee s LYS 127 CO -0.17 0.35 0.56 0.99 1.55 0.00 0.00 175.35 178.64 1vee s THR 128 N -0.95 -0.73 -0.18 3.43 2.01 -1.26 -5.10 115.64 112.87 1vee s THR 128 Ca 0.07 0.06 -0.28 0.00 0.31 0.00 0.00 61.69 61.85 1vee s THR 128 Cb -0.09 -0.86 0.09 0.00 0.01 0.00 0.00 72.50 71.64 1vee s THR 128 CO 0.03 0.03 0.81 -0.55 -0.69 0.00 0.00 174.62 174.25 1vee s SER 129 N 2.60 -0.60 0.52 3.53 0.15 -1.26 -5.17 113.70 113.47 1vee s SER 129 Ca -0.05 0.90 -0.20 0.00 0.70 0.00 0.00 55.95 57.30 1vee s SER 129 Cb -0.11 0.83 -0.07 0.00 -1.71 0.00 0.00 66.02 64.96 1vee s SER 129 CO -0.17 -0.37 1.11 -0.83 1.20 0.00 0.00 173.24 174.18 1vee s GLY 130 N -0.46 2.62 0.96 9.45 0.00 -1.26 -5.05 107.32 113.59 1vee s GLY 130 Ca -0.04 0.78 -0.16 0.00 0.00 0.00 0.00 44.72 45.31 1vee s GLY 130 CO 0.03 1.14 1.27 2.56 0.00 0.00 0.00 173.10 178.10 1vee s PRO 131 N -3.18 0.65 -0.04 2.90 0.04 -1.26 -5.11 135.00 129.00 1vee s PRO 131 Ca 0.70 -0.26 0.01 0.00 0.04 0.00 0.00 61.00 61.49 1vee s PRO 131 Cb -0.22 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.51 1vee s PRO 131 CO 0.26 -2.43 -0.03 -1.12 0.04 0.00 0.00 177.00 173.72 1vee s SER 132 N -4.70 0.73 0.41 6.66 0.01 -1.26 -5.14 113.70 110.41 1vee s SER 132 Ca 0.71 -0.09 -0.27 0.00 1.31 0.00 0.00 55.95 57.62 1vee s SER 132 Cb -0.06 -0.35 -0.10 0.00 0.21 0.00 0.00 66.02 65.72 1vee s SER 132 CO 0.53 -0.06 1.44 -0.94 0.41 0.00 0.00 173.24 174.61 1vee s SER 133 N 0.88 6.15 0.00 2.44 1.04 -1.26 -5.35 113.70 117.60 1vee s SER 133 Ca -0.11 2.95 0.00 0.00 0.48 0.00 0.00 55.95 59.27 1vee s SER 133 Cb -0.14 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.32 1vee s SER 133 CO -0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84