#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 6.58 -0.66 1.61 0.01 -1.26 -4.95 113.70 115.03 1vee s SER 2 Ca 0.00 1.19 -0.27 0.00 1.31 0.00 0.00 55.95 58.18 1vee s SER 2 Cb 0.00 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 1vee s SER 2 CO 0.00 -1.16 1.63 -0.44 0.41 0.00 0.00 173.24 173.68 1vee s SER 3 N 3.16 5.64 0.19 2.44 0.01 -1.26 -4.80 113.70 119.07 1vee s SER 3 Ca 0.59 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1vee s SER 3 Cb -0.17 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.52 1vee s SER 3 CO 0.25 -2.15 0.00 0.61 0.41 0.00 0.00 173.24 172.36 1vee n GLY 4 N 5.56 -1.96 3.70 3.44 0.00 -1.26 -4.77 105.19 109.91 1vee n GLY 4 Ca 0.14 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 1vee n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 5 N -3.74 6.66 0.25 1.61 0.01 -1.26 -4.99 113.70 112.24 1vee s SER 5 Ca 0.00 2.44 -0.12 0.00 1.31 0.00 0.00 55.95 59.58 1vee s SER 5 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1vee s SER 5 CO 0.00 -0.82 0.45 -0.44 0.41 0.00 0.00 173.24 172.84 1vee s SER 6 N 1.87 -0.05 0.00 2.44 0.01 -1.26 -1.75 113.70 114.95 1vee s SER 6 Ca 0.70 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1vee s SER 6 Cb -0.39 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.41 1vee s SER 6 CO 0.31 -1.12 0.00 0.61 0.41 0.00 0.00 173.24 173.45 1vee n GLY 7 N -0.38 -0.46 3.12 3.44 0.00 -1.23 -4.94 105.19 104.74 1vee n GLY 7 Ca -0.01 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1vee n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vee s SER 8 N -4.00 0.65 0.16 1.61 0.01 -1.26 -3.17 113.70 107.69 1vee s SER 8 Ca 0.00 -1.02 -0.24 0.00 1.31 0.00 0.00 55.95 56.00 1vee s SER 8 Cb 0.00 0.18 0.04 0.00 0.21 0.00 0.00 66.02 66.45 1vee s SER 8 CO 0.00 -0.58 1.60 0.00 0.41 0.00 0.00 173.24 174.67 1vee h ALA 9 N 3.07 -0.23 -0.97 1.44 0.00 -1.79 -1.96 119.26 118.82 1vee h ALA 9 Ca -0.34 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1vee h ALA 9 Cb 1.15 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 19.60 1vee h ALA 9 CO 0.65 -0.75 0.62 0.87 0.00 0.00 0.00 179.25 180.65 1vee h LYS 10 N -0.28 1.30 -0.20 0.00 1.57 -1.85 0.67 116.57 117.79 1vee h LYS 10 Ca 0.16 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1vee h LYS 10 Cb 0.54 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1vee h LYS 10 CO -0.52 0.88 0.12 -0.97 -0.57 0.00 0.00 179.45 178.39 1vee h ASN 11 N 1.33 0.24 -0.64 0.86 -0.00 -1.89 -1.06 115.58 114.43 1vee h ASN 11 Ca 0.35 -0.05 -0.06 0.00 -0.00 0.00 0.00 56.30 56.54 1vee h ASN 11 Cb -0.12 -0.06 -0.03 0.00 -0.00 0.00 0.00 38.32 38.12 1vee h ASN 11 CO -0.07 0.22 0.16 0.00 -0.00 0.00 0.00 177.43 177.74 1vee h ALA 12 N 1.03 0.84 -0.86 1.57 0.00 -0.76 -1.57 119.26 119.51 1vee h ALA 12 Ca 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1vee h ALA 12 Cb 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1vee h ALA 12 CO -0.01 0.54 0.45 -0.92 0.00 0.00 0.00 179.25 179.31 1vee h TYR 13 N 0.94 1.20 0.08 0.00 3.20 -0.68 0.15 116.97 121.86 1vee h TYR 13 Ca 0.20 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1vee h TYR 13 Cb 0.35 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1vee h TYR 13 CO 0.03 0.84 -0.04 1.15 -1.64 0.00 0.00 178.16 178.50 1vee h THR 14 N 1.21 0.98 -0.35 1.81 2.02 -0.94 -2.65 112.91 114.99 1vee h THR 14 Ca 0.30 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1vee h THR 14 Cb 0.06 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 1vee h THR 14 CO -0.05 0.05 0.12 0.11 0.37 0.00 0.00 175.52 176.13 1vee h LYS 15 N -0.21 0.27 -0.83 6.66 1.79 -0.78 -2.20 116.57 121.27 1vee h LYS 15 Ca -0.01 -0.02 0.21 0.00 -2.18 0.00 0.00 60.65 58.65 1vee h LYS 15 Cb 0.18 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 1vee h LYS 15 CO 0.02 0.18 0.57 -0.07 -1.08 0.00 0.00 179.45 179.07 1vee h LEU 16 N 0.27 0.21 0.00 2.94 3.38 -0.50 0.41 115.31 122.03 1vee h LEU 16 Ca 0.16 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1vee h LEU 16 Cb 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1vee h LEU 16 CO -0.16 0.09 -0.36 0.61 0.09 0.00 0.00 178.44 178.71 1vee n GLY 17 N -1.60 -1.50 0.03 0.83 0.00 -0.84 -3.95 105.19 98.16 1vee n GLY 17 Ca 0.17 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.06 0.37 -3.35 2.61 5.66 -0.01 -4.87 114.28 112.63 1vee n THR 18 Ca 0.04 -0.41 -0.45 0.00 -3.05 0.00 0.00 64.05 60.18 1vee n THR 18 Cb 0.42 -0.17 -0.05 0.00 -1.55 0.00 0.00 70.33 68.97 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 -4.02 6.14 0.17 1.09 2.15 0.12 -4.97 116.67 117.36 1vee s ASP 19 Ca -0.06 -1.84 -0.18 0.00 0.43 0.00 0.00 52.55 50.91 1vee s ASP 19 Cb 0.07 -2.18 0.10 0.00 -0.30 0.00 0.00 42.92 40.60 1vee s ASP 19 CO 0.56 -0.83 1.66 -0.78 -0.17 0.00 0.00 175.17 175.61 1vee h ASP 20 N 8.79 -0.46 0.15 -0.34 3.58 -1.87 -1.52 116.42 124.74 1vee h ASP 20 Ca -0.27 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.31 1vee h ASP 20 Cb 1.09 0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.42 1vee h ASP 20 CO 1.00 -0.16 0.00 -0.46 -2.88 0.00 0.00 179.24 176.74 1vee n ASN 21 N -5.33 0.00 -4.70 2.28 6.94 -1.26 -4.77 115.26 108.42 1vee n ASN 21 Ca 0.02 -0.32 -0.42 0.00 -0.02 0.00 0.00 54.58 53.84 1vee n ASN 21 Cb 0.24 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.51 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1vee s ALA 22 N -2.25 3.30 -0.00 -2.53 0.00 -0.58 -1.57 121.76 118.13 1vee s ALA 22 Ca 0.23 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1vee s ALA 22 Cb 0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1vee s ALA 22 CO 0.24 -0.42 -0.01 -0.65 0.00 0.00 0.00 175.76 174.92 1vee s GLN 23 N 1.39 0.13 0.02 0.00 -1.52 -0.51 -4.94 119.66 114.22 1vee s GLN 23 Ca 0.53 -0.04 -0.30 0.00 -1.95 0.00 0.00 55.36 53.60 1vee s GLN 23 Cb -0.23 -0.15 -0.04 0.00 -0.22 0.00 0.00 33.01 32.37 1vee s GLN 23 CO 0.25 0.02 1.14 -1.17 -0.25 0.00 0.00 175.29 175.27 1vee s LEU 24 N 0.07 4.35 -0.28 2.90 1.98 -1.26 -1.28 118.68 125.15 1vee s LEU 24 Ca -0.00 1.87 0.01 0.00 -2.89 0.00 0.00 54.13 53.11 1vee s LEU 24 Cb -0.02 -3.57 0.06 0.00 0.66 0.00 0.00 46.19 43.32 1vee s LEU 24 CO -0.00 -0.44 -0.05 -0.22 -1.89 0.00 0.00 176.35 173.75 1vee s LEU 25 N 1.32 3.73 -0.74 -0.68 2.96 0.18 -1.86 118.68 123.58 1vee s LEU 25 Ca 0.56 -1.36 -0.26 0.00 -0.22 0.00 0.00 54.13 52.85 1vee s LEU 25 Cb -0.26 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.81 1vee s LEU 25 CO 0.27 -0.23 1.44 -1.81 -1.32 0.00 0.00 176.35 174.69 1vee s ASP 26 N 1.18 5.98 0.00 3.68 1.01 -0.35 -1.13 116.67 127.04 1vee s ASP 26 Ca -0.06 -0.39 0.28 0.00 0.71 0.00 0.00 52.55 53.09 1vee s ASP 26 Cb -0.20 -2.55 1.12 0.00 1.01 0.00 0.00 42.92 42.29 1vee s ASP 26 CO -0.03 -1.95 1.79 2.30 0.21 0.00 0.00 175.17 177.49 1vee n ILE 27 N 6.64 0.00 -0.82 0.77 -5.35 -0.67 -2.12 119.36 117.81 1vee n ILE 27 Ca 0.10 -0.10 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 1vee n ILE 27 Cb 0.50 0.10 0.18 0.00 -1.74 0.00 0.00 39.64 38.67 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 -2.38 0.64 0.35 6.28 0.52 -1.25 -1.67 118.95 121.43 1vee s ARG 28 Ca 0.30 1.16 -0.19 0.00 -0.52 0.00 0.00 55.73 56.48 1vee s ARG 28 Cb 0.20 -1.71 -0.10 0.00 0.52 0.00 0.00 34.95 33.86 1vee s ARG 28 CO 0.46 -2.77 0.84 0.00 0.02 0.00 0.00 175.30 173.85 1vee s ALA 29 N -2.68 3.22 0.32 2.13 0.00 -1.26 -3.97 121.76 119.52 1vee s ALA 29 Ca 0.66 0.26 0.09 0.00 0.00 0.00 0.00 51.96 52.97 1vee s ALA 29 Cb -0.22 -2.97 0.95 0.00 0.00 0.00 0.00 23.12 20.88 1vee s ALA 29 CO 0.59 0.24 1.61 1.15 0.00 0.00 0.00 175.76 179.35 1vee h THR 30 N 2.15 0.14 -0.98 0.00 2.02 -1.98 -0.33 112.91 113.93 1vee h THR 30 Ca -0.48 -0.04 0.14 0.00 0.77 0.00 0.00 66.41 66.80 1vee h THR 30 Cb 1.18 0.02 -0.09 0.00 -1.74 0.00 0.00 68.15 67.52 1vee h THR 30 CO 0.64 0.02 0.60 0.00 0.37 0.00 0.00 175.52 177.15 1vee h ALA 31 N 1.91 1.51 -0.39 6.16 0.00 -2.00 -0.86 119.26 125.59 1vee h ALA 31 Ca 0.67 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.57 1vee h ALA 31 Cb 1.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1vee h ALA 31 CO -0.76 0.13 0.02 -0.44 0.00 0.00 0.00 179.25 178.20 1vee h ASP 32 N 0.90 0.57 0.07 0.00 3.32 -1.40 -1.65 116.42 118.23 1vee h ASP 32 Ca 0.51 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 1vee h ASP 32 Cb 0.59 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1vee h ASP 32 CO -0.30 0.63 -0.04 -0.26 -1.72 0.00 0.00 179.24 177.55 1vee h PHE 33 N 0.58 0.00 0.00 4.55 -1.00 -1.23 0.19 116.94 120.03 1vee h PHE 33 Ca 0.12 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.79 1vee h PHE 33 Cb 0.35 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 1vee h PHE 33 CO 0.01 0.04 -1.19 0.00 -1.61 0.00 0.00 178.31 175.56 1vee h ARG 34 N 0.00 0.00 0.00 1.51 3.08 -1.32 -3.12 114.38 114.53 1vee h ARG 34 Ca -0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 1vee h ARG 34 Cb 0.08 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1vee h ARG 34 CO 0.01 0.21 -2.07 1.04 -1.07 0.00 0.00 179.97 178.09 1vee n GLN 35 N -2.86 0.94 -0.00 0.04 6.02 -0.81 -4.75 117.38 115.97 1vee n GLN 35 Ca -0.06 0.06 0.01 0.00 -0.01 0.00 0.00 57.00 57.00 1vee n GLN 35 Cb 0.74 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 30.60 1vee n GLN 35 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 1vee n VAL 36 N -2.85 0.00 -1.92 5.09 3.14 0.59 -4.88 118.33 117.50 1vee n VAL 36 Ca -0.30 -0.32 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 1vee n VAL 36 Cb 0.92 0.82 0.00 0.00 -1.06 0.00 0.00 33.84 34.52 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 1.48 -1.77 3.14 7.55 0.00 -0.71 -4.32 105.19 110.56 1vee n GLY 37 Ca 0.00 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.21 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 1.08 0.98 1.61 1.04 -0.44 -3.71 113.70 110.27 1vee s SER 38 Ca 0.00 -0.88 -0.14 0.00 0.48 0.00 0.00 55.95 55.41 1vee s SER 38 Cb 0.00 0.08 0.18 0.00 0.10 0.00 0.00 66.02 66.38 1vee s SER 38 CO 0.00 -0.39 1.15 -2.16 0.98 0.00 0.00 173.24 172.82 1vee s PRO 39 N -3.20 0.54 0.19 4.02 0.04 -1.26 -0.03 135.00 135.30 1vee s PRO 39 Ca 0.06 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.19 1vee s PRO 39 Cb 0.01 -1.78 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 1vee s PRO 39 CO -0.03 -2.58 0.28 0.54 0.04 0.00 0.00 177.00 175.25 1vee s ASN 40 N -4.02 0.05 0.00 6.66 2.20 -1.26 -4.47 114.94 114.10 1vee s ASN 40 Ca 0.66 -1.03 0.01 0.00 -0.94 0.00 0.00 52.86 51.56 1vee s ASN 40 Cb -0.13 0.45 0.01 0.00 -2.00 0.00 0.00 41.25 39.58 1vee s ASN 40 CO 0.54 -0.93 0.88 2.30 -2.94 0.00 0.00 177.10 176.95 1vee n ILE 41 N -0.26 0.00 0.22 0.54 -5.35 -1.26 -4.80 119.36 108.45 1vee n ILE 41 Ca -0.04 -0.03 0.14 0.00 -0.27 0.00 0.00 62.75 62.56 1vee n ILE 41 Cb 0.63 0.39 0.77 0.00 -1.74 0.00 0.00 39.64 39.70 1vee n ILE 41 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1vee h LYS 42 N 0.03 0.00 -0.18 6.28 2.10 -1.93 -1.65 116.57 121.21 1vee h LYS 42 Ca -0.01 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.53 1vee h LYS 42 Cb 1.32 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 1vee h LYS 42 CO 0.00 0.00 -0.34 0.78 -2.00 0.00 0.00 179.45 177.89 1vee h GLY 43 N 0.00 0.41 1.83 0.07 0.00 -1.91 -2.54 103.07 100.93 1vee h GLY 43 Ca 0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 1vee h GLY 43 CO -0.00 0.33 -0.49 1.41 0.00 0.00 0.00 176.54 177.79 1vee h LEU 44 N 0.32 0.00 0.00 3.11 3.38 -1.74 -3.47 115.31 116.91 1vee h LEU 44 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1vee h LEU 44 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1vee h LEU 44 CO 0.06 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1vee n GLY 45 N 1.21 1.02 3.91 0.83 0.00 -0.88 -5.05 105.19 106.24 1vee n GLY 45 Ca 0.01 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1vee n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vee s LYS 46 N -1.03 2.46 -0.07 1.61 -0.14 -0.93 -4.97 119.74 116.67 1vee s LYS 46 Ca 0.00 -1.64 -0.03 0.00 -1.36 0.00 0.00 55.97 52.94 1vee s LYS 46 Cb 0.00 -2.38 0.04 0.00 -1.68 0.00 0.00 37.83 33.81 1vee s LYS 46 CO 0.00 -0.39 0.15 0.21 -0.76 0.00 0.00 175.35 174.56 1vee s LYS 47 N -4.25 0.05 1.07 1.68 2.20 -1.26 -3.41 119.74 115.82 1vee s LYS 47 Ca 0.47 0.46 -0.14 0.00 -0.36 0.00 0.00 55.97 56.41 1vee s LYS 47 Cb -0.04 -0.24 0.23 0.00 -1.51 0.00 0.00 37.83 36.27 1vee s LYS 47 CO 0.28 -0.24 1.08 0.00 -0.36 0.00 0.00 175.35 176.11 1vee s ALA 48 N 1.73 0.53 -0.03 3.13 0.00 -1.26 -4.72 121.76 121.14 1vee s ALA 48 Ca -0.03 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1vee s ALA 48 Cb -0.12 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 19.90 1vee s ALA 48 CO -0.06 -3.21 -0.15 0.08 0.00 0.00 0.00 175.76 172.43 1vee s VAL 49 N -2.86 1.21 -0.38 0.00 1.01 -0.78 -5.00 120.40 113.61 1vee s VAL 49 Ca 0.67 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 1vee s VAL 49 Cb -0.19 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1vee s VAL 49 CO 0.59 0.35 0.23 -0.94 0.00 0.00 0.00 175.10 175.34 1vee s SER 50 N 0.02 5.85 -0.31 3.32 1.04 -1.26 -1.21 113.70 121.15 1vee s SER 50 Ca -0.02 -0.94 0.01 0.00 0.48 0.00 0.00 55.95 55.48 1vee s SER 50 Cb -0.10 -2.07 0.15 0.00 0.10 0.00 0.00 66.02 64.11 1vee s SER 50 CO 0.01 -0.40 0.37 -0.89 0.98 0.00 0.00 173.24 173.32 1vee s THR 51 N 1.60 -0.52 -0.05 2.02 2.01 -0.90 -5.00 115.64 114.79 1vee s THR 51 Ca 0.03 -0.46 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 1vee s THR 51 Cb -0.19 -0.92 -0.07 0.00 0.01 0.00 0.00 72.50 71.33 1vee s THR 51 CO 0.08 -0.39 1.91 0.54 -0.69 0.00 0.00 174.62 176.06 1vee s VAL 52 N 2.30 3.21 0.27 3.82 0.11 -1.25 -4.15 120.40 124.70 1vee s VAL 52 Ca 0.11 0.25 -0.26 0.00 -2.93 0.00 0.00 61.98 59.15 1vee s VAL 52 Cb -0.13 -3.19 -0.09 0.00 -1.53 0.00 0.00 36.38 31.44 1vee s VAL 52 CO -0.27 -0.05 0.89 -0.47 -3.33 0.00 0.00 175.10 171.88 1vee s TYR 53 N 5.11 3.78 -0.18 1.54 5.04 -0.67 -4.98 117.35 126.99 1vee s TYR 53 Ca 0.85 1.74 -0.18 0.00 -2.44 0.00 0.00 57.07 57.04 1vee s TYR 53 Cb -0.37 -2.87 0.05 0.00 0.35 0.00 0.00 41.96 39.11 1vee s TYR 53 CO 0.37 0.32 0.51 0.54 -1.34 0.00 0.00 175.55 175.94 1vee s ASN 54 N -1.47 -0.52 0.21 4.32 4.22 -1.26 -4.93 114.94 115.50 1vee s ASN 54 Ca 0.45 0.98 0.23 0.00 -2.14 0.00 0.00 52.86 52.38 1vee s ASN 54 Cb -0.20 1.00 0.92 0.00 1.28 0.00 0.00 41.25 44.24 1vee s ASN 54 CO 0.25 -0.20 1.69 0.61 -2.04 0.00 0.00 177.10 177.41 1vee n GLY 55 N 2.68 -1.30 0.13 0.45 0.00 -1.26 -3.12 105.19 102.78 1vee n GLY 55 Ca -0.14 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1vee n GLY 55 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1vee h GLU 56 N 0.00 0.00 -0.66 1.61 3.07 -2.02 -3.34 114.58 113.24 1vee h GLU 56 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.56 1vee h GLU 56 Cb 0.40 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 27.91 1vee h GLU 56 CO 0.00 0.00 -1.12 -3.47 -1.40 0.00 0.00 179.01 173.02 1vee n ASP 57 N -2.45 1.77 -0.23 1.42 2.03 -1.18 -4.97 116.55 112.94 1vee n ASP 57 Ca 0.05 -2.37 -0.04 0.00 0.52 0.00 0.00 54.79 52.95 1vee n ASP 57 Cb 0.45 -0.49 0.02 0.00 -0.72 0.00 0.00 41.12 40.38 1vee n ASP 57 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1vee h LYS 58 N 2.71 -0.12 -0.72 -0.67 1.57 -1.69 0.21 116.57 117.86 1vee h LYS 58 Ca -0.09 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1vee h LYS 58 Cb 1.24 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.55 1vee h LYS 58 CO 0.33 -0.08 0.24 -1.00 -0.57 0.00 0.00 179.45 178.37 1vee h PRO 59 N -0.12 1.10 0.00 3.15 0.13 -1.93 -0.91 132.00 133.41 1vee h PRO 59 Ca 0.26 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1vee h PRO 59 Cb 0.55 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1vee h PRO 59 CO -0.72 0.93 0.00 0.41 -0.23 0.00 0.00 178.00 178.38 1vee n GLY 60 N -0.83 -1.32 0.09 1.56 0.00 -0.18 -2.00 105.19 102.52 1vee n GLY 60 Ca 0.06 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.99 1vee n GLY 60 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1vee h PHE 61 N 0.00 0.00 -0.55 1.61 3.57 0.00 -3.36 116.94 118.21 1vee h PHE 61 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1vee h PHE 61 Cb 0.40 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.05 1vee h PHE 61 CO 0.00 1.09 0.00 -0.07 -2.23 0.00 0.00 178.31 177.10 1vee h LEU 62 N -1.00 -0.23 -1.39 0.59 3.38 -1.05 -1.23 115.31 114.38 1vee h LEU 62 Ca -0.22 0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.96 1vee h LEU 62 Cb 1.06 0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.99 1vee h LEU 62 CO -0.13 -0.09 0.49 0.07 0.09 0.00 0.00 178.44 178.87 1vee h LYS 63 N 0.12 0.69 -0.08 1.13 2.10 -1.59 -0.86 116.57 118.07 1vee h LYS 63 Ca 0.28 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.91 1vee h LYS 63 Cb 0.43 -0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 31.61 1vee h LYS 63 CO -0.46 0.46 0.08 0.87 -2.00 0.00 0.00 179.45 178.40 1vee h LYS 64 N 0.71 0.00 0.01 0.07 1.57 -1.37 -0.12 116.57 117.44 1vee h LYS 64 Ca 0.33 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.92 1vee h LYS 64 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1vee h LYS 64 CO -0.12 0.00 -1.01 -0.07 -0.57 0.00 0.00 179.45 177.68 1vee h LEU 65 N 0.00 0.03 -1.94 2.94 -0.00 -1.24 -3.37 115.31 111.74 1vee h LEU 65 Ca 0.04 -0.64 0.10 0.00 -0.00 0.00 0.00 57.88 57.38 1vee h LEU 65 Cb 0.20 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 1vee h LEU 65 CO -0.00 1.40 0.28 -1.28 -0.00 0.00 0.00 178.44 178.84 1vee h SER 66 N -0.94 0.06 0.87 -0.43 0.87 -0.93 0.11 113.55 113.17 1vee h SER 66 Ca -0.27 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 1vee h SER 66 Cb 1.28 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 1vee h SER 66 CO -0.14 0.04 -0.18 0.17 -0.53 0.00 0.00 176.83 176.19 1vee h LEU 67 N 0.07 0.00 0.03 2.23 8.10 -1.20 -3.25 115.31 121.30 1vee h LEU 67 Ca 0.19 0.00 -0.39 0.00 0.11 0.00 0.00 57.88 57.79 1vee h LEU 67 Cb 0.66 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.82 1vee h LEU 67 CO -0.01 0.18 -2.34 2.29 -4.11 0.00 0.00 178.44 174.45 1vee n LYS 68 N -3.37 0.67 -2.77 0.17 -0.00 -0.05 -4.80 118.16 108.01 1vee n LYS 68 Ca -0.00 0.20 -0.42 0.00 -0.00 0.00 0.00 58.31 58.09 1vee n LYS 68 Cb 0.39 -1.57 -0.04 0.00 -0.00 0.00 0.00 35.03 33.82 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 -2.52 2.57 0.58 5.58 0.08 0.18 -4.90 117.98 119.55 1vee s PHE 69 Ca -0.32 -0.45 0.41 0.00 0.12 0.00 0.00 56.93 56.69 1vee s PHE 69 Cb 0.09 -4.40 2.25 0.00 -0.57 0.00 0.00 43.02 40.39 1vee s PHE 69 CO 0.63 -1.77 2.27 1.57 -0.10 0.00 0.00 175.22 177.81 1vee h LYS 70 N 9.68 0.00 -2.35 0.44 -0.00 -1.87 -3.28 116.57 119.20 1vee h LYS 70 Ca -0.26 0.00 -0.59 0.00 -0.00 0.00 0.00 60.65 59.80 1vee h LYS 70 Cb 1.06 0.00 -0.38 0.00 -0.00 0.00 0.00 32.23 32.91 1vee h LYS 70 CO 1.21 0.00 -0.98 -0.25 -0.00 0.00 0.00 179.45 179.44 1vee n ASP 71 N -2.97 -0.29 -0.28 7.07 8.00 -1.26 -5.00 116.55 121.82 1vee n ASP 71 Ca -0.03 -2.44 -0.03 0.00 0.71 0.00 0.00 54.79 53.01 1vee n ASP 71 Cb 0.09 -0.57 0.14 0.00 -0.02 0.00 0.00 41.12 40.76 1vee n ASP 71 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1vee h PRO 72 N 5.44 1.15 -0.17 -0.24 0.14 -1.87 -2.75 132.00 133.70 1vee h PRO 72 Ca 0.24 -0.13 0.05 0.00 0.14 0.00 0.00 66.00 66.30 1vee h PRO 72 Cb 0.90 -0.23 -0.01 0.00 0.14 0.00 0.00 31.00 31.81 1vee h PRO 72 CO 0.39 0.84 0.46 1.05 0.14 0.00 0.00 178.00 180.89 1vee h GLU 73 N 1.15 0.00 0.00 0.86 4.11 -1.86 -1.43 114.58 117.41 1vee h GLU 73 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1vee h GLU 73 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1vee h GLU 73 CO -0.05 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.12 1vee n ASN 74 N -3.13 0.09 -4.75 3.06 3.02 -1.14 -3.60 115.26 108.81 1vee n ASN 74 Ca 0.02 -0.52 -0.40 0.00 -0.03 0.00 0.00 54.58 53.65 1vee n ASN 74 Cb 0.56 0.87 -0.05 0.00 -0.61 0.00 0.00 39.78 40.54 1vee n ASN 74 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1vee s THR 75 N -0.87 4.50 -0.18 3.41 2.01 -0.58 -4.77 115.64 119.16 1vee s THR 75 Ca 0.00 1.82 -0.03 0.00 0.31 0.00 0.00 61.69 63.79 1vee s THR 75 Cb 0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 1vee s THR 75 CO 0.00 0.41 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.39 1vee s THR 76 N -0.44 3.53 -0.66 -0.82 2.01 -0.61 -2.12 115.64 116.54 1vee s THR 76 Ca 0.40 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.78 1vee s THR 76 Cb -0.23 -2.56 0.15 0.00 0.01 0.00 0.00 72.50 69.87 1vee s THR 76 CO 0.27 0.46 0.65 -0.76 -0.69 0.00 0.00 174.62 174.55 1vee s LEU 77 N 0.88 6.17 -0.56 4.42 1.43 -0.77 -1.42 118.68 128.82 1vee s LEU 77 Ca -0.01 -2.02 -0.28 0.00 -1.03 0.00 0.00 54.13 50.79 1vee s LEU 77 Cb -0.15 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 43.87 1vee s LEU 77 CO 0.01 -0.83 1.18 -0.31 0.23 0.00 0.00 176.35 176.64 1vee s TYR 78 N 1.40 2.64 0.46 0.29 1.51 -0.41 -2.73 117.35 120.51 1vee s TYR 78 Ca 0.11 0.46 -0.24 0.00 -1.01 0.00 0.00 57.07 56.39 1vee s TYR 78 Cb -0.22 -4.50 -0.07 0.00 -0.11 0.00 0.00 41.96 37.06 1vee s TYR 78 CO -0.01 -1.54 1.23 0.42 -1.11 0.00 0.00 175.55 174.54 1vee s ILE 79 N 4.87 2.83 -0.14 2.71 -1.09 0.01 -0.65 121.20 129.73 1vee s ILE 79 Ca 0.44 0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 59.47 1vee s ILE 79 Cb -0.07 -3.35 0.06 0.00 -1.58 0.00 0.00 42.46 37.52 1vee s ILE 79 CO 0.26 0.02 0.12 -0.22 -1.23 0.00 0.00 174.94 173.89 1vee s LEU 80 N -2.94 0.18 0.34 2.97 0.20 -0.28 -3.51 118.68 115.64 1vee s LEU 80 Ca 0.63 -0.32 0.10 0.00 0.69 0.00 0.00 54.13 55.23 1vee s LEU 80 Cb -0.33 -0.06 -0.06 0.00 -0.43 0.00 0.00 46.19 45.31 1vee s LEU 80 CO 0.40 -0.32 -0.08 -0.62 -0.29 0.00 0.00 176.35 175.45 1vee s ASP 81 N 2.20 3.83 0.26 3.68 2.15 -1.26 -1.68 116.67 125.85 1vee s ASP 81 Ca 0.04 -1.14 -0.01 0.00 0.43 0.00 0.00 52.55 51.87 1vee s ASP 81 Cb -0.15 -0.39 0.51 0.00 -0.30 0.00 0.00 42.92 42.59 1vee s ASP 81 CO -0.08 -0.19 1.79 0.07 -0.17 0.00 0.00 175.17 176.59 1vee h LYS 82 N 1.99 0.73 0.00 4.34 2.10 -1.95 -3.23 116.57 120.56 1vee h LYS 82 Ca -0.42 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1vee h LYS 82 Cb 1.25 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1vee h LYS 82 CO 0.69 0.49 0.00 1.19 -2.00 0.00 0.00 179.45 179.81 1vee n PHE 83 N -4.77 0.00 0.06 0.07 3.72 -1.26 -2.71 117.46 112.56 1vee n PHE 83 Ca 0.17 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.43 1vee n PHE 83 Cb 0.38 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.00 0.58 0.00 4.37 3.32 -1.87 -2.51 116.42 120.31 1vee h ASP 84 Ca 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1vee h ASP 84 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 1vee h ASP 84 CO 0.00 1.25 0.00 0.61 -1.72 0.00 0.00 179.24 179.38 1vee n GLY 85 N 0.91 0.49 0.00 2.75 0.00 -1.26 -2.42 105.19 105.66 1vee n GLY 85 Ca -0.07 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 1.50 1.80 -0.20 1.61 3.02 -1.26 -4.88 115.26 116.85 1vee n ASN 86 Ca 0.00 -1.87 -0.03 0.00 -0.03 0.00 0.00 54.58 52.66 1vee n ASN 86 Cb 0.00 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.00 -0.86 -0.09 6.41 0.02 -1.83 0.81 113.55 118.01 1vee h SER 87 Ca 0.00 0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 1vee h SER 87 Cb 0.50 0.48 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 1vee h SER 87 CO 0.00 -0.26 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.01 1vee h GLU 88 N -0.09 0.38 0.06 3.45 5.08 -1.88 0.32 114.58 121.90 1vee h GLU 88 Ca 0.27 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1vee h GLU 88 Cb 0.51 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1vee h GLU 88 CO -0.66 0.48 -0.03 1.25 -1.00 0.00 0.00 179.01 179.05 1vee h LEU 89 N 0.36 -0.07 -1.45 1.33 7.12 -1.60 -3.24 115.31 117.76 1vee h LEU 89 Ca 0.07 -0.56 -0.05 0.00 0.13 0.00 0.00 57.88 57.47 1vee h LEU 89 Cb 0.39 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 1vee h LEU 89 CO 0.02 0.59 -0.19 0.58 -0.13 0.00 0.00 178.44 179.31 1vee h VAL 90 N -0.79 1.18 -0.58 1.05 2.07 -0.83 -1.82 116.25 116.53 1vee h VAL 90 Ca -0.01 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1vee h VAL 90 Cb 0.63 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1vee h VAL 90 CO 0.01 0.24 0.37 0.00 0.02 0.00 0.00 177.57 178.22 1vee h ALA 91 N 1.70 0.73 -0.11 1.67 0.00 -1.00 -1.95 119.26 120.30 1vee h ALA 91 Ca 0.02 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1vee h ALA 91 Cb 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1vee h ALA 91 CO 0.03 0.14 -0.72 0.93 0.00 0.00 0.00 179.25 179.63 1vee h GLU 92 N 0.76 0.54 0.28 0.00 4.39 -1.49 -2.91 114.58 116.14 1vee h GLU 92 Ca 0.22 -0.43 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1vee h GLU 92 Cb -0.06 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 1vee h GLU 92 CO -0.06 1.05 -0.48 1.25 -1.16 0.00 0.00 179.01 179.61 1vee h LEU 93 N 0.37 -1.38 -0.91 1.33 5.85 -0.75 0.13 115.31 119.96 1vee h LEU 93 Ca -0.03 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1vee h LEU 93 Cb 1.31 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 42.79 1vee h LEU 93 CO 0.13 -0.58 0.35 -0.37 -0.34 0.00 0.00 178.44 177.63 1vee h VAL 94 N -0.82 1.25 0.02 1.05 -1.51 -1.47 -1.83 116.25 112.93 1vee h VAL 94 Ca -0.02 -0.74 -0.00 0.00 -1.23 0.00 0.00 66.70 64.71 1vee h VAL 94 Cb 0.78 0.28 0.00 0.00 -2.13 0.00 0.00 31.29 30.22 1vee h VAL 94 CO -0.18 0.31 -0.01 0.00 -1.23 0.00 0.00 177.57 176.46 1vee h ALA 95 N 1.26 -0.03 0.00 5.19 0.00 -1.25 0.46 119.26 124.89 1vee h ALA 95 Ca 0.27 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1vee h ALA 95 Cb 0.16 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1vee h ALA 95 CO -0.03 -0.45 -0.28 -0.07 0.00 0.00 0.00 179.25 178.42 1vee h LEU 96 N -0.15 0.00 0.24 0.00 -0.00 -0.68 -3.06 115.31 111.65 1vee h LEU 96 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 1vee h LEU 96 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 1vee h LEU 96 CO 0.00 0.28 -0.11 0.78 -0.00 0.00 0.00 178.44 179.39 1vee h ASN 97 N 0.00 -0.27 0.00 -0.43 2.35 -1.06 -3.48 115.58 112.70 1vee h ASN 97 Ca -0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 1vee h ASN 97 Cb 0.53 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1vee h ASN 97 CO 0.04 0.18 0.00 0.61 -1.65 0.00 0.00 177.43 176.61 1vee n GLY 98 N 0.13 0.00 3.82 2.83 0.00 -0.63 -5.11 105.19 106.23 1vee n GLY 98 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1vee n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vee s PHE 99 N 0.00 3.13 0.06 1.61 0.40 0.06 -2.96 117.98 120.27 1vee s PHE 99 Ca 0.00 1.46 -0.23 0.00 -0.60 0.00 0.00 56.93 57.56 1vee s PHE 99 Cb 0.00 -2.91 -0.10 0.00 0.51 0.00 0.00 43.02 40.51 1vee s PHE 99 CO 0.00 -1.05 1.36 -0.22 0.70 0.00 0.00 175.22 176.00 1vee h LYS 100 N -0.03 -0.56 0.00 0.44 1.63 -0.94 -3.40 116.57 113.72 1vee h LYS 100 Ca -0.45 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1vee h LYS 100 Cb 1.21 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 1vee h LYS 100 CO 0.58 -0.37 0.33 0.45 -3.45 0.00 0.00 179.45 176.99 1vee n SER 101 N -4.36 -2.18 -3.66 4.20 2.88 -1.26 -4.94 113.62 104.29 1vee n SER 101 Ca -0.07 -2.46 -0.14 0.00 -1.33 0.00 0.00 58.87 54.87 1vee n SER 101 Cb 0.28 3.63 -0.08 0.00 -0.75 0.00 0.00 64.21 67.29 1vee n SER 101 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vee s ALA 102 N -2.06 -1.36 -0.16 -1.46 0.00 -1.26 -1.84 121.76 113.61 1vee s ALA 102 Ca 0.17 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.47 1vee s ALA 102 Cb -0.05 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.50 1vee s ALA 102 CO 0.11 -0.28 -0.18 0.71 0.00 0.00 0.00 175.76 176.11 1vee s TYR 103 N -0.24 2.75 -0.59 0.00 1.51 -1.11 -4.17 117.35 115.50 1vee s TYR 103 Ca -0.04 -1.27 -0.21 0.00 -1.01 0.00 0.00 57.07 54.54 1vee s TYR 103 Cb -0.03 -1.88 0.08 0.00 -0.11 0.00 0.00 41.96 40.01 1vee s TYR 103 CO 0.03 -0.60 0.80 0.00 -1.11 0.00 0.00 175.55 174.67 1vee s ALA 104 N 0.96 3.28 -0.19 3.71 0.00 -0.72 -0.81 121.76 127.99 1vee s ALA 104 Ca -0.03 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.74 1vee s ALA 104 Cb -0.15 -3.63 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 1vee s ALA 104 CO -0.04 -2.43 1.50 0.42 0.00 0.00 0.00 175.76 175.21 1vee s ILE 105 N 3.28 3.87 0.66 0.00 1.09 -1.23 -3.54 121.20 125.32 1vee s ILE 105 Ca 0.18 1.01 -0.14 0.00 -1.10 0.00 0.00 60.65 60.59 1vee s ILE 105 Cb -0.20 -3.79 -0.00 0.00 -1.06 0.00 0.00 42.46 37.41 1vee s ILE 105 CO 0.10 -0.25 1.08 -0.75 -0.10 0.00 0.00 174.94 175.02 1vee s LYS 106 N 4.24 2.95 0.00 2.79 2.47 -1.19 -3.77 119.74 127.22 1vee s LYS 106 Ca 0.66 1.21 0.00 0.00 -1.56 0.00 0.00 55.97 56.27 1vee s LYS 106 Cb -0.24 -1.98 0.00 0.00 -1.46 0.00 0.00 37.83 34.14 1vee s LYS 106 CO 0.25 -1.11 0.00 -0.25 0.16 0.00 0.00 175.35 174.40 1vee n ASP 107 N -2.56 -3.63 0.00 1.43 9.92 -1.26 -4.52 116.55 115.93 1vee n ASP 107 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1vee n ASP 107 Cb 0.53 -1.50 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 1vee n ASP 107 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1vee n GLY 108 N -1.61 3.08 0.02 0.44 0.00 -0.95 -1.25 105.19 104.93 1vee n GLY 108 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 9.84 1.91 0.37 4.61 0.00 -1.10 -1.76 120.51 134.39 1vee n ALA 109 Ca 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 53.44 53.37 1vee n ALA 109 Cb 0.00 0.31 0.49 0.00 0.00 0.00 0.00 19.45 20.25 1vee n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vee h GLU 110 N 0.00 0.00 -7.44 0.00 4.39 -1.64 -3.00 114.58 106.88 1vee h GLU 110 Ca -0.10 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.16 1vee h GLU 110 Cb 1.18 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 29.99 1vee h GLU 110 CO -0.01 0.00 0.22 0.20 -1.16 0.00 0.00 179.01 178.27 1vee s GLY 111 N -3.86 1.59 0.52 -3.84 0.00 -0.38 -4.88 107.32 96.47 1vee s GLY 111 Ca 0.05 -0.63 0.25 0.00 0.00 0.00 0.00 44.72 44.39 1vee s GLY 111 CO 0.52 0.05 1.96 -0.56 0.00 0.00 0.00 173.10 175.07 1vee h PRO 112 N -1.94 0.07 0.00 2.90 0.13 -1.90 -1.63 132.00 129.62 1vee h PRO 112 Ca -0.50 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1vee h PRO 112 Cb 1.32 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1vee h PRO 112 CO 0.52 0.04 -0.32 2.89 -0.23 0.00 0.00 178.00 180.90 1vee n ARG 113 N -4.37 0.55 -1.00 0.86 0.00 -1.26 -4.82 116.66 106.62 1vee n ARG 113 Ca 0.12 -1.73 -0.29 0.00 -0.00 0.00 0.00 57.85 55.95 1vee n ARG 113 Cb 0.67 -0.91 0.18 0.00 -0.00 0.00 0.00 32.46 32.40 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1vee s GLY 114 N -1.85 1.59 0.19 2.89 0.00 -0.61 -4.30 107.32 105.23 1vee s GLY 114 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 44.72 44.71 1vee s GLY 114 CO 0.00 0.47 1.11 1.87 0.00 0.00 0.00 173.10 176.56 1vee n TRP 115 N -4.22 0.20 0.07 1.90 -0.00 -0.72 -0.35 117.44 114.32 1vee n TRP 115 Ca 0.06 0.87 -0.12 0.00 -0.00 0.00 0.00 57.50 58.31 1vee n TRP 115 Cb 0.55 -0.88 -0.07 0.00 -0.00 0.00 0.00 31.31 30.91 1vee n TRP 115 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1vee h LEU 116 N 0.00 -0.10 0.00 5.87 3.38 -1.82 -2.32 115.31 120.33 1vee h LEU 116 Ca 0.32 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1vee h LEU 116 Cb 0.50 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1vee h LEU 116 CO -0.73 -0.06 0.00 0.59 0.09 0.00 0.00 178.44 178.33 1vee n ASN 117 N -5.14 0.00 -0.73 -0.43 3.02 0.09 -3.67 115.26 108.40 1vee n ASN 117 Ca -0.07 -0.93 0.09 0.00 -0.03 0.00 0.00 54.58 53.64 1vee n ASN 117 Cb 0.07 -0.02 0.28 0.00 -0.61 0.00 0.00 39.78 39.51 1vee n ASN 117 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1vee n SER 118 N -1.02 2.15 -3.40 6.41 2.88 0.53 -4.68 113.62 116.49 1vee n SER 118 Ca 0.23 -1.86 -0.19 0.00 -1.33 0.00 0.00 58.87 55.72 1vee n SER 118 Cb 0.12 -0.19 0.08 0.00 -0.75 0.00 0.00 64.21 63.47 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1vee n SER 119 N 0.65 -3.69 -4.28 -3.46 2.88 -1.24 -4.71 113.62 99.77 1vee n SER 119 Ca 0.16 -0.57 -0.27 0.00 -1.33 0.00 0.00 58.87 56.86 1vee n SER 119 Cb 0.38 -4.93 -0.14 0.00 -0.75 0.00 0.00 64.21 58.77 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 -6.56 2.18 0.51 2.46 1.43 -1.23 -5.12 118.68 112.36 1vee s LEU 120 Ca 0.22 -0.56 -0.22 0.00 -1.03 0.00 0.00 54.13 52.55 1vee s LEU 120 Cb -0.10 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 45.01 1vee s LEU 120 CO 0.70 0.18 1.24 -2.84 0.23 0.00 0.00 176.35 175.86 1vee s PRO 121 N -1.27 3.40 -0.12 1.29 0.02 -1.26 -4.74 135.00 132.32 1vee s PRO 121 Ca 0.09 1.94 -0.10 0.00 0.02 0.00 0.00 61.00 62.94 1vee s PRO 121 Cb -0.09 -2.27 0.03 0.00 0.02 0.00 0.00 34.50 32.19 1vee s PRO 121 CO 0.02 -0.89 0.31 -0.46 -0.33 0.00 0.00 177.00 175.65 1vee s TRP 122 N -1.47 -0.34 -0.96 6.54 -0.11 -1.26 -4.17 118.94 117.17 1vee s TRP 122 Ca 0.69 0.83 -0.24 0.00 1.22 0.00 0.00 56.10 58.60 1vee s TRP 122 Cb -0.33 0.12 0.04 0.00 -1.50 0.00 0.00 33.47 31.79 1vee s TRP 122 CO 0.39 -0.17 1.48 0.42 -4.62 0.00 0.00 176.95 174.45 1vee s ILE 123 N 0.21 3.84 0.63 5.86 1.01 0.95 -4.91 121.20 128.79 1vee s ILE 123 Ca -0.00 -0.54 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 1vee s ILE 123 Cb -0.02 -4.93 -0.01 0.00 0.01 0.00 0.00 42.46 37.51 1vee s ILE 123 CO -0.00 -1.82 1.12 -1.61 0.00 0.00 0.00 174.94 172.62 1vee s GLU 124 N 5.31 2.91 0.51 2.79 2.02 -1.26 -1.32 118.70 129.66 1vee s GLU 124 Ca 0.47 1.45 -0.05 0.00 0.02 0.00 0.00 54.97 56.86 1vee s GLU 124 Cb -0.02 -1.96 0.11 0.00 0.10 0.00 0.00 34.13 32.36 1vee s GLU 124 CO -0.05 -1.17 0.69 -0.35 0.02 0.00 0.00 175.26 174.41 1vee n PRO 125 N -2.17 -0.26 -2.07 0.39 -0.04 -1.26 -4.88 135.00 124.71 1vee n PRO 125 Ca 0.11 -1.46 -0.42 0.00 -0.04 0.00 0.00 63.50 61.68 1vee n PRO 125 Cb 0.52 -0.59 -0.03 0.00 -0.04 0.00 0.00 33.50 33.36 1vee n PRO 125 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1vee s LYS 126 N -4.36 3.30 1.03 0.54 -0.14 -1.26 -4.96 119.74 113.89 1vee s LYS 126 Ca 0.43 1.23 -0.12 0.00 -1.36 0.00 0.00 55.97 56.15 1vee s LYS 126 Cb -0.02 -4.18 0.18 0.00 -1.68 0.00 0.00 37.83 32.13 1vee s LYS 126 CO 0.29 -1.90 0.92 0.36 -0.76 0.00 0.00 175.35 174.26 1vee n LYS 127 N 8.45 -1.21 -4.15 1.68 2.85 -1.26 -5.07 118.16 119.44 1vee n LYS 127 Ca 0.21 -0.31 -0.16 0.00 -1.05 0.00 0.00 58.31 57.00 1vee n LYS 127 Cb 0.48 -2.19 -0.05 0.00 -0.65 0.00 0.00 35.03 32.61 1vee n LYS 127 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1vee s THR 128 N -2.50 0.00 0.10 0.58 -4.23 -1.26 -5.07 115.64 103.26 1vee s THR 128 Ca 0.65 -1.73 -0.14 0.00 -1.18 0.00 0.00 61.69 59.29 1vee s THR 128 Cb -0.23 -2.60 -0.12 0.00 1.34 0.00 0.00 72.50 70.90 1vee s THR 128 CO 0.62 0.00 1.35 0.77 -0.54 0.00 0.00 174.62 176.83 1vee h SER 129 N 2.12 0.84 -4.37 3.99 4.64 -2.07 -3.50 113.55 115.20 1vee h SER 129 Ca -0.27 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 1vee h SER 129 Cb 1.24 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1vee h SER 129 CO 0.38 1.24 0.00 0.61 -0.87 0.00 0.00 176.83 178.19 1vee n GLY 130 N 0.44 -0.74 3.79 -0.77 0.00 -1.26 -5.02 105.19 101.63 1vee n GLY 130 Ca -0.06 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.00 1vee n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vee s PRO 131 N -2.24 0.27 -0.44 1.61 0.04 -1.26 -4.94 135.00 128.03 1vee s PRO 131 Ca 0.00 -0.09 -0.28 0.00 0.04 0.00 0.00 61.00 60.67 1vee s PRO 131 Cb 0.00 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1vee s PRO 131 CO 0.00 -2.71 1.64 -1.54 0.04 0.00 0.00 177.00 174.43 1vee s SER 132 N -4.34 5.94 -0.43 6.66 1.04 -1.26 -4.90 113.70 116.41 1vee s SER 132 Ca 0.70 0.83 -0.44 0.00 0.48 0.00 0.00 55.95 57.52 1vee s SER 132 Cb -0.09 -2.53 -0.18 0.00 0.10 0.00 0.00 66.02 63.32 1vee s SER 132 CO 0.54 -1.75 1.77 -1.20 0.98 0.00 0.00 173.24 173.58 1vee n SER 133 N 10.20 1.50 0.00 7.02 7.64 -1.26 -5.34 113.62 133.39 1vee n SER 133 Ca 0.19 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1vee n SER 133 Cb 0.48 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1vee n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64