#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 0.70 0.00 1.61 0.15 -1.26 -4.88 113.70 110.02 1vee s SER 2 Ca 0.00 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1vee s SER 2 Cb 0.00 -0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1vee s SER 2 CO 0.00 0.03 0.00 -1.20 1.20 0.00 0.00 173.24 173.27 1vee n SER 3 N 3.30 0.00 -0.80 5.45 7.64 -1.26 -4.73 113.62 123.22 1vee n SER 3 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1vee n SER 3 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1vee n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vee n GLY 4 N 0.00 2.06 2.30 0.23 0.00 -1.26 -4.50 105.19 104.02 1vee n GLY 4 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 1vee n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vee n SER 5 N -0.74 4.00 -4.29 1.61 7.64 -1.19 -0.26 113.62 120.39 1vee n SER 5 Ca 0.00 -3.33 -0.29 0.00 1.01 0.00 0.00 58.87 56.26 1vee n SER 5 Cb 0.00 -0.40 0.21 0.00 -1.01 0.00 0.00 64.21 63.01 1vee n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1vee s SER 6 N -3.60 1.76 0.00 6.43 1.04 -1.26 -3.79 113.70 114.28 1vee s SER 6 Ca 0.44 0.93 0.00 0.00 0.48 0.00 0.00 55.95 57.80 1vee s SER 6 Cb 0.39 -1.41 0.00 0.00 0.10 0.00 0.00 66.02 65.10 1vee s SER 6 CO -0.02 -3.64 0.00 0.61 0.98 0.00 0.00 173.24 171.17 1vee n GLY 7 N -0.97 -1.36 3.51 7.32 0.00 -1.22 -4.85 105.19 107.62 1vee n GLY 7 Ca 0.08 0.70 -0.10 0.00 0.00 0.00 0.00 46.02 46.71 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 -0.30 0.17 1.61 0.01 -1.26 -4.12 113.70 105.81 1vee s SER 8 Ca 0.00 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 56.67 1vee s SER 8 Cb 0.00 0.58 0.10 0.00 0.21 0.00 0.00 66.02 66.91 1vee s SER 8 CO 0.00 -1.04 1.64 0.00 0.41 0.00 0.00 173.24 174.25 1vee h ALA 9 N 2.17 0.12 -0.20 1.44 0.00 -1.79 -0.45 119.26 120.56 1vee h ALA 9 Ca -0.29 0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1vee h ALA 9 Cb 1.27 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1vee h ALA 9 CO 0.37 -0.55 -0.09 0.87 0.00 0.00 0.00 179.25 179.86 1vee h LYS 10 N -0.11 -0.06 -0.07 0.00 1.57 -1.87 0.13 116.57 116.18 1vee h LYS 10 Ca 0.20 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 1vee h LYS 10 Cb 0.41 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 1vee h LYS 10 CO -0.47 -0.04 -0.12 -0.97 -0.57 0.00 0.00 179.45 177.28 1vee h ASN 11 N -0.06 -0.36 -0.23 0.86 -0.73 -1.81 -0.02 115.58 113.23 1vee h ASN 11 Ca 0.11 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.30 1vee h ASN 11 Cb 0.22 0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.96 1vee h ASN 11 CO -0.24 -0.17 0.02 0.00 -0.37 0.00 0.00 177.43 176.67 1vee h ALA 12 N 0.85 1.42 -0.14 1.57 0.00 -0.60 -1.03 119.26 121.33 1vee h ALA 12 Ca 0.07 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1vee h ALA 12 Cb 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1vee h ALA 12 CO -0.17 0.41 -0.63 -0.92 0.00 0.00 0.00 179.25 177.95 1vee h TYR 13 N 0.49 0.90 -0.47 0.00 3.20 -0.44 -2.89 116.97 117.75 1vee h TYR 13 Ca 0.11 -0.39 0.03 0.00 3.14 0.00 0.00 58.73 61.62 1vee h TYR 13 Cb 0.29 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1vee h TYR 13 CO 0.01 1.20 0.25 1.15 -1.64 0.00 0.00 178.16 179.13 1vee h THR 14 N 0.35 0.99 -0.32 1.81 2.02 -0.66 -2.69 112.91 114.41 1vee h THR 14 Ca -0.04 -0.17 0.07 0.00 0.77 0.00 0.00 66.41 67.04 1vee h THR 14 Cb 1.26 0.45 -0.07 0.00 -1.74 0.00 0.00 68.15 68.04 1vee h THR 14 CO 0.13 0.09 -0.17 0.11 0.37 0.00 0.00 175.52 176.05 1vee h LYS 15 N 0.50 -0.12 -0.06 6.66 1.79 -1.15 -0.85 116.57 123.34 1vee h LYS 15 Ca 0.20 0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.70 1vee h LYS 15 Cb 0.08 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1vee h LYS 15 CO -0.13 -0.08 0.25 -0.07 -1.08 0.00 0.00 179.45 178.34 1vee h LEU 16 N -0.13 0.00 -0.68 2.94 3.38 -1.26 0.26 115.31 119.81 1vee h LEU 16 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1vee h LEU 16 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1vee h LEU 16 CO -0.40 0.00 -0.53 0.61 0.09 0.00 0.00 178.44 178.21 1vee n GLY 17 N -1.23 -0.33 0.00 0.83 0.00 -0.34 -4.23 105.19 99.89 1vee n GLY 17 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.46 0.00 -3.86 2.61 5.66 -0.07 -4.93 114.28 113.23 1vee n THR 18 Ca 0.09 -0.42 -0.30 0.00 -3.05 0.00 0.00 64.05 60.37 1vee n THR 18 Cb 0.42 1.15 -0.15 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 -0.09 4.17 0.48 1.09 2.15 0.72 -4.99 116.67 120.20 1vee s ASP 19 Ca 0.00 -1.68 0.23 0.00 0.43 0.00 0.00 52.55 51.53 1vee s ASP 19 Cb 0.00 -1.14 1.21 0.00 -0.30 0.00 0.00 42.92 42.69 1vee s ASP 19 CO 0.00 -0.37 1.99 -0.78 -0.17 0.00 0.00 175.17 175.84 1vee h ASP 20 N 7.93 0.00 -0.66 -0.34 3.58 -1.86 -2.55 116.42 122.51 1vee h ASP 20 Ca -0.12 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.96 1vee h ASP 20 Cb 1.03 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 41.88 1vee h ASP 20 CO 0.47 0.18 0.47 0.59 -2.88 0.00 0.00 179.24 178.08 1vee n ASN 21 N -3.78 4.32 -4.56 2.28 5.03 -1.26 -4.89 115.26 112.40 1vee n ASN 21 Ca -0.02 -3.13 -0.34 0.00 0.87 0.00 0.00 54.58 51.96 1vee n ASN 21 Cb 0.29 -0.80 -0.11 0.00 -1.02 0.00 0.00 39.78 38.14 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1vee s ALA 22 N -2.28 2.99 -0.07 5.41 0.00 -0.96 -0.10 121.76 126.75 1vee s ALA 22 Ca 0.39 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1vee s ALA 22 Cb 0.32 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1vee s ALA 22 CO 0.05 0.49 0.17 -0.65 0.00 0.00 0.00 175.76 175.82 1vee s GLN 23 N -0.52 0.17 0.03 0.00 1.11 0.23 -4.91 119.66 115.77 1vee s GLN 23 Ca 0.08 0.31 -0.25 0.00 0.01 0.00 0.00 55.36 55.51 1vee s GLN 23 Cb -0.12 -0.01 -0.05 0.00 -1.01 0.00 0.00 33.01 31.82 1vee s GLN 23 CO 0.02 -0.08 0.77 -1.17 0.01 0.00 0.00 175.29 174.84 1vee s LEU 24 N 0.54 4.43 -0.29 2.90 1.98 -1.26 -0.65 118.68 126.32 1vee s LEU 24 Ca -0.04 1.44 0.02 0.00 -2.89 0.00 0.00 54.13 52.66 1vee s LEU 24 Cb -0.05 -3.23 0.08 0.00 0.66 0.00 0.00 46.19 43.65 1vee s LEU 24 CO -0.03 -0.01 0.00 -0.22 -1.89 0.00 0.00 176.35 174.21 1vee s LEU 25 N 0.07 3.46 -0.17 -0.68 2.96 -0.35 -1.74 118.68 122.23 1vee s LEU 25 Ca 0.39 -1.66 -0.28 0.00 -0.22 0.00 0.00 54.13 52.35 1vee s LEU 25 Cb -0.20 -1.34 -0.00 0.00 0.50 0.00 0.00 46.19 45.14 1vee s LEU 25 CO 0.23 -0.32 0.98 -1.81 -1.32 0.00 0.00 176.35 174.11 1vee s ASP 26 N 1.21 7.13 0.00 3.68 1.01 0.13 -1.31 116.67 128.51 1vee s ASP 26 Ca 0.03 1.40 0.17 0.00 0.71 0.00 0.00 52.55 54.86 1vee s ASP 26 Cb -0.19 -2.53 0.20 0.00 1.01 0.00 0.00 42.92 41.41 1vee s ASP 26 CO -0.10 -0.52 1.11 2.30 0.21 0.00 0.00 175.17 178.17 1vee n ILE 27 N 4.89 0.18 -0.87 0.77 -5.35 -0.70 -1.47 119.36 116.81 1vee n ILE 27 Ca 0.09 -0.59 -0.29 0.00 -0.27 0.00 0.00 62.75 61.69 1vee n ILE 27 Cb 0.48 1.20 0.22 0.00 -1.74 0.00 0.00 39.64 39.80 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 -1.36 -0.65 0.31 6.28 0.52 -1.26 -2.38 118.95 120.42 1vee s ARG 28 Ca 0.23 0.49 -0.20 0.00 -0.52 0.00 0.00 55.73 55.73 1vee s ARG 28 Cb 0.15 -1.61 -0.09 0.00 0.52 0.00 0.00 34.95 33.92 1vee s ARG 28 CO 0.22 -3.45 0.81 0.00 0.02 0.00 0.00 175.30 172.91 1vee s ALA 29 N -2.73 3.28 0.30 2.13 0.00 -1.26 -3.97 121.76 119.51 1vee s ALA 29 Ca 0.68 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1vee s ALA 29 Cb -0.19 -2.94 0.76 0.00 0.00 0.00 0.00 23.12 20.75 1vee s ALA 29 CO 0.60 0.26 1.61 1.15 0.00 0.00 0.00 175.76 179.38 1vee h THR 30 N 2.37 0.17 -0.48 0.00 2.02 -1.99 -0.43 112.91 114.56 1vee h THR 30 Ca -0.48 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 1vee h THR 30 Cb 1.19 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1vee h THR 30 CO 0.64 0.02 0.17 0.00 0.37 0.00 0.00 175.52 176.72 1vee h ALA 31 N 1.88 1.40 -0.20 6.16 0.00 -2.00 -2.40 119.26 124.10 1vee h ALA 31 Ca 0.59 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 1vee h ALA 31 Cb 1.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1vee h ALA 31 CO -0.77 0.45 -0.01 -0.44 0.00 0.00 0.00 179.25 178.47 1vee h ASP 32 N 0.68 0.26 0.51 0.00 5.19 -1.46 0.88 116.42 122.48 1vee h ASP 32 Ca 0.16 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1vee h ASP 32 Cb 0.17 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1vee h ASP 32 CO -0.01 0.33 0.00 0.49 -3.12 0.00 0.00 179.24 176.92 1vee n PHE 33 N -4.36 0.68 0.54 4.55 3.01 -0.90 -0.14 117.46 120.83 1vee n PHE 33 Ca -0.00 0.29 0.10 0.00 1.01 0.00 0.00 57.45 58.85 1vee n PHE 33 Cb 0.19 -0.96 -0.14 0.00 -0.01 0.00 0.00 39.48 38.56 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 -2.14 0.42 -0.03 -1.08 1.74 0.25 -3.62 116.66 112.20 1vee n ARG 34 Ca 0.01 -0.08 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 1vee n ARG 34 Cb 0.17 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 1vee n ARG 34 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1vee n GLN 35 N -1.81 0.20 0.04 5.56 6.02 -0.41 -4.81 117.38 122.17 1vee n GLN 35 Ca 0.00 0.08 -0.17 0.00 -0.01 0.00 0.00 57.00 56.90 1vee n GLN 35 Cb 0.42 -0.82 -0.14 0.00 1.02 0.00 0.00 30.24 30.72 1vee n GLN 35 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1vee h VAL 36 N -0.39 0.96 0.00 5.09 3.04 -0.82 -3.42 116.25 120.72 1vee h VAL 36 Ca 0.00 -2.64 0.00 0.00 -1.01 0.00 0.00 66.70 63.05 1vee h VAL 36 Cb 0.39 2.65 0.00 0.00 -2.01 0.00 0.00 31.29 32.32 1vee h VAL 36 CO 0.00 0.80 0.00 0.61 -1.01 0.00 0.00 177.57 177.97 1vee n GLY 37 N 1.75 -0.27 3.09 3.17 0.00 -0.92 -4.22 105.19 107.80 1vee n GLY 37 Ca -0.21 -2.06 -0.15 0.00 0.00 0.00 0.00 46.02 43.60 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 1.14 0.86 1.61 1.04 -0.75 -4.21 113.70 109.40 1vee s SER 38 Ca 0.00 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 55.78 1vee s SER 38 Cb 0.00 -0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.22 1vee s SER 38 CO 0.00 -0.13 1.14 -2.16 0.98 0.00 0.00 173.24 173.07 1vee s PRO 39 N -1.49 1.54 -0.06 4.02 0.04 -1.26 -0.55 135.00 137.23 1vee s PRO 39 Ca -0.06 0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.29 1vee s PRO 39 Cb -0.09 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.58 1vee s PRO 39 CO 0.01 -1.92 -0.11 1.21 0.04 0.00 0.00 177.00 176.23 1vee s ASN 40 N -4.18 1.65 0.00 6.66 2.47 -1.21 -4.65 114.94 115.68 1vee s ASN 40 Ca 0.63 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1vee s ASN 40 Cb -0.14 -0.77 0.00 0.00 -1.45 0.00 0.00 41.25 38.89 1vee s ASN 40 CO 0.52 0.02 0.75 2.30 -3.72 0.00 0.00 177.10 176.97 1vee n ILE 41 N 3.84 0.55 0.14 -5.21 -5.35 -1.26 -4.72 119.36 107.36 1vee n ILE 41 Ca -0.23 -0.67 0.10 0.00 -0.27 0.00 0.00 62.75 61.68 1vee n ILE 41 Cb 0.52 0.79 0.60 0.00 -1.74 0.00 0.00 39.64 39.80 1vee n ILE 41 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1vee h LYS 42 N 0.00 0.13 -0.43 6.28 3.64 -1.91 -2.48 116.57 121.80 1vee h LYS 42 Ca 0.00 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 1vee h LYS 42 Cb 0.46 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.17 1vee h LYS 42 CO 0.00 0.08 -0.17 0.78 -2.27 0.00 0.00 179.45 177.88 1vee h GLY 43 N 0.13 0.19 0.66 5.01 0.00 -1.87 -1.93 103.07 105.25 1vee h GLY 43 Ca 0.09 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 1vee h GLY 43 CO -0.01 -0.19 -0.02 1.41 0.00 0.00 0.00 176.54 177.72 1vee h LEU 44 N -0.08 -0.05 0.00 3.11 -0.00 -1.81 -3.47 115.31 113.01 1vee h LEU 44 Ca 0.21 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1vee h LEU 44 Cb 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.07 1vee h LEU 44 CO -0.48 0.29 0.00 0.61 -0.00 0.00 0.00 178.44 178.86 1vee n GLY 45 N -0.18 0.15 3.35 0.83 0.00 -0.73 -5.01 105.19 103.61 1vee n GLY 45 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 0.56 -3.60 1.61 4.76 -1.04 -4.98 118.16 115.47 1vee n LYS 46 Ca 0.00 -3.45 -0.18 0.00 -2.87 0.00 0.00 58.31 51.80 1vee n LYS 46 Cb 0.00 1.95 -0.15 0.00 -1.84 0.00 0.00 35.03 34.99 1vee n LYS 46 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1vee s LYS 47 N -3.55 0.10 0.65 1.97 2.47 -1.26 -3.00 119.74 117.13 1vee s LYS 47 Ca 0.22 0.36 -0.18 0.00 -1.56 0.00 0.00 55.97 54.81 1vee s LYS 47 Cb 0.01 -0.80 -0.01 0.00 -1.46 0.00 0.00 37.83 35.57 1vee s LYS 47 CO 0.16 -0.48 1.18 0.00 0.16 0.00 0.00 175.35 176.37 1vee n ALA 48 N 5.32 0.74 -3.51 3.13 0.00 -1.26 -4.73 120.51 120.20 1vee n ALA 48 Ca -0.05 -0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1vee n ALA 48 Cb 0.50 -2.25 -0.16 0.00 0.00 0.00 0.00 19.45 17.53 1vee n ALA 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1vee s VAL 49 N -1.49 2.35 -0.38 0.00 1.01 -0.71 -5.02 120.40 116.17 1vee s VAL 49 Ca 0.80 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1vee s VAL 49 Cb -0.38 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1vee s VAL 49 CO 0.43 0.54 0.23 -0.94 0.00 0.00 0.00 175.10 175.35 1vee s SER 50 N 0.74 5.82 -0.30 3.32 1.04 -1.26 -0.69 113.70 122.37 1vee s SER 50 Ca -0.08 -0.90 -0.03 0.00 0.48 0.00 0.00 55.95 55.42 1vee s SER 50 Cb -0.16 -2.06 0.10 0.00 0.10 0.00 0.00 66.02 64.01 1vee s SER 50 CO 0.00 -0.38 0.13 -0.89 0.98 0.00 0.00 173.24 173.09 1vee s THR 51 N 1.60 0.18 -0.15 2.02 2.01 -0.55 -4.99 115.64 115.76 1vee s THR 51 Ca 0.03 -1.02 -0.31 0.00 0.31 0.00 0.00 61.69 60.70 1vee s THR 51 Cb -0.19 -1.16 -0.08 0.00 0.01 0.00 0.00 72.50 71.08 1vee s THR 51 CO 0.08 -0.75 2.09 0.52 -0.69 0.00 0.00 174.62 175.87 1vee n VAL 52 N 5.02 0.47 -2.86 3.82 0.31 -1.25 -4.24 118.33 119.59 1vee n VAL 52 Ca -0.03 -0.29 -0.33 0.00 -0.01 0.00 0.00 64.34 63.68 1vee n VAL 52 Cb 0.41 -2.23 -0.07 0.00 -0.91 0.00 0.00 33.84 31.04 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 6.43 3.32 -0.27 3.52 5.04 -1.00 -4.95 117.35 129.44 1vee s TYR 53 Ca 0.98 1.56 -0.09 0.00 -2.44 0.00 0.00 57.07 57.08 1vee s TYR 53 Cb -0.51 -2.81 0.12 0.00 0.35 0.00 0.00 41.96 39.11 1vee s TYR 53 CO 0.42 -0.08 0.58 0.54 -1.34 0.00 0.00 175.55 175.67 1vee s ASN 54 N -2.19 -0.87 0.62 4.32 4.22 -1.26 -4.99 114.94 114.79 1vee s ASN 54 Ca 0.61 1.38 0.37 0.00 -2.14 0.00 0.00 52.86 53.08 1vee s ASN 54 Cb -0.09 2.01 2.09 0.00 1.28 0.00 0.00 41.25 46.54 1vee s ASN 54 CO 0.14 -0.22 2.30 1.23 -2.04 0.00 0.00 177.10 178.50 1vee h GLY 55 N 8.05 0.00 2.00 0.45 0.00 -1.98 -1.29 103.07 110.30 1vee h GLY 55 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1vee h GLY 55 CO 0.11 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.83 1vee n GLU 56 N -3.45 0.07 -2.71 4.80 -0.58 -1.26 -3.13 120.64 114.37 1vee n GLU 56 Ca -0.03 0.41 -0.06 0.00 -0.42 0.00 0.00 57.16 57.06 1vee n GLU 56 Cb 0.09 -1.66 0.06 0.00 -0.57 0.00 0.00 31.44 29.36 1vee n GLU 56 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1vee n ASP 57 N -1.80 0.47 -0.25 1.62 2.03 -0.49 -4.98 116.55 113.15 1vee n ASP 57 Ca 0.02 -2.45 0.03 0.00 0.52 0.00 0.00 54.79 52.90 1vee n ASP 57 Cb 0.12 -0.07 0.11 0.00 -0.72 0.00 0.00 41.12 40.57 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 2.49 0.04 -0.02 -0.67 1.57 -1.51 0.10 116.57 118.57 1vee h LYS 58 Ca -0.18 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1vee h LYS 58 Cb 1.24 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 1vee h LYS 58 CO 0.24 0.03 0.01 -1.00 -0.57 0.00 0.00 179.45 178.15 1vee h PRO 59 N 0.04 0.03 -0.61 3.15 0.13 -1.92 -0.71 132.00 132.11 1vee h PRO 59 Ca 0.37 -0.01 0.08 0.00 -0.87 0.00 0.00 66.00 65.58 1vee h PRO 59 Cb 0.61 -0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.67 1vee h PRO 59 CO -0.71 0.23 0.26 0.78 -0.23 0.00 0.00 178.00 178.34 1vee h GLY 60 N -0.17 0.87 0.93 1.56 0.00 -1.75 0.24 103.07 104.75 1vee h GLY 60 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1vee h GLY 60 CO -0.00 0.02 -0.43 -2.75 0.00 0.00 0.00 176.54 173.38 1vee h PHE 61 N 0.47 -1.13 -0.59 5.60 3.57 -0.70 -2.00 116.94 122.16 1vee h PHE 61 Ca 0.30 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.90 1vee h PHE 61 Cb 0.33 0.39 -0.09 0.00 2.79 0.00 0.00 35.95 39.37 1vee h PHE 61 CO -0.14 -0.67 0.08 -0.07 -2.23 0.00 0.00 178.31 175.28 1vee h LEU 62 N -1.14 -0.09 -1.24 0.59 3.38 -0.67 -0.66 115.31 115.48 1vee h LEU 62 Ca -0.11 0.12 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1vee h LEU 62 Cb 0.89 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1vee h LEU 62 CO 0.15 -0.03 0.55 0.11 0.09 0.00 0.00 178.44 179.30 1vee h LYS 63 N 0.21 0.87 0.00 1.13 1.57 -0.39 -0.02 116.57 119.93 1vee h LYS 63 Ca 0.31 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1vee h LYS 63 Cb 0.47 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1vee h LYS 63 CO -0.43 0.58 -0.07 0.87 -0.57 0.00 0.00 179.45 179.82 1vee h LYS 64 N 0.90 0.00 0.06 3.15 1.57 -0.34 0.59 116.57 122.50 1vee h LYS 64 Ca 0.37 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.97 1vee h LYS 64 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1vee h LYS 64 CO -0.14 0.07 -0.87 -0.07 -0.57 0.00 0.00 179.45 177.88 1vee h LEU 65 N 0.00 0.19 -1.21 2.94 -0.00 -1.05 -3.32 115.31 112.86 1vee h LEU 65 Ca -0.00 -0.83 0.13 0.00 -0.00 0.00 0.00 57.88 57.17 1vee h LEU 65 Cb 0.17 -0.06 -0.07 0.00 -0.00 0.00 0.00 40.66 40.70 1vee h LEU 65 CO 0.01 1.37 0.58 -1.28 -0.00 0.00 0.00 178.44 179.13 1vee h SER 66 N -0.68 0.74 0.10 -0.43 0.87 -0.65 0.42 113.55 113.93 1vee h SER 66 Ca -0.20 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1vee h SER 66 Cb 1.41 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1vee h SER 66 CO -0.01 0.40 0.00 0.00 -0.53 0.00 0.00 176.83 176.69 1vee n LEU 67 N -4.57 0.00 -0.01 2.23 -0.00 0.15 -3.88 117.00 110.92 1vee n LEU 67 Ca 0.17 0.05 -0.02 0.00 -0.00 0.00 0.00 56.01 56.21 1vee n LEU 67 Cb 0.40 -0.05 -0.01 0.00 -0.00 0.00 0.00 43.42 43.76 1vee n LEU 67 CO 0.29 -0.00 -0.59 2.29 -0.00 0.00 0.00 177.39 179.38 1vee n LYS 68 N -1.05 0.54 -3.06 1.47 -0.00 -0.16 -4.96 118.16 110.93 1vee n LYS 68 Ca 0.22 0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 58.12 1vee n LYS 68 Cb 0.13 -1.06 -0.06 0.00 -0.00 0.00 0.00 35.03 34.04 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 -2.06 3.11 0.43 5.58 0.08 -0.04 -4.94 117.98 120.14 1vee s PHE 69 Ca -0.03 0.33 0.26 0.00 0.12 0.00 0.00 56.93 57.60 1vee s PHE 69 Cb 0.01 -3.28 1.43 0.00 -0.57 0.00 0.00 43.02 40.61 1vee s PHE 69 CO 0.07 -0.72 2.07 1.57 -0.10 0.00 0.00 175.22 178.11 1vee h LYS 70 N 8.57 0.00 -2.38 0.44 2.10 -1.89 -3.36 116.57 120.05 1vee h LYS 70 Ca -0.26 0.00 -0.59 0.00 -2.00 0.00 0.00 60.65 57.80 1vee h LYS 70 Cb 1.10 0.00 -0.38 0.00 -0.90 0.00 0.00 32.23 32.05 1vee h LYS 70 CO 0.87 0.12 -0.96 -3.47 -2.00 0.00 0.00 179.45 174.02 1vee n ASP 71 N -3.72 -0.09 -0.21 7.07 2.03 -1.26 -5.00 116.55 115.37 1vee n ASP 71 Ca -0.02 -2.49 0.03 0.00 0.52 0.00 0.00 54.79 52.83 1vee n ASP 71 Cb 0.23 -0.58 0.27 0.00 -0.72 0.00 0.00 41.12 40.33 1vee n ASP 71 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1vee h PRO 72 N 5.42 0.92 0.00 -0.67 0.13 -1.89 -2.36 132.00 133.55 1vee h PRO 72 Ca 0.24 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1vee h PRO 72 Cb 0.89 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1vee h PRO 72 CO 0.41 0.61 0.02 -0.85 -0.23 0.00 0.00 178.00 177.96 1vee n GLU 73 N -4.45 0.08 -0.86 0.86 0.28 -1.20 -1.05 120.64 114.31 1vee n GLU 73 Ca 0.09 0.58 0.05 0.00 -0.16 0.00 0.00 57.16 57.72 1vee n GLU 73 Cb 0.10 -1.80 0.11 0.00 1.43 0.00 0.00 31.44 31.29 1vee n GLU 73 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1vee n ASN 74 N -1.96 1.36 -4.00 -1.84 3.02 -0.89 -3.70 115.26 107.26 1vee n ASN 74 Ca -0.01 -2.95 -0.29 0.00 -0.03 0.00 0.00 54.58 51.30 1vee n ASN 74 Cb 0.04 -0.41 -0.17 0.00 -0.61 0.00 0.00 39.78 38.64 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 -1.72 1.44 -0.26 3.41 2.01 -0.22 -4.71 115.64 115.59 1vee s THR 75 Ca 0.32 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 1vee s THR 75 Cb 0.33 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 1vee s THR 75 CO -0.09 0.44 0.16 -0.89 -0.69 0.00 0.00 174.62 173.55 1vee s THR 76 N 1.46 5.20 -0.47 -0.82 2.01 0.85 -2.68 115.64 121.20 1vee s THR 76 Ca 0.03 0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.99 1vee s THR 76 Cb -0.13 -3.45 0.05 0.00 0.01 0.00 0.00 72.50 68.98 1vee s THR 76 CO -0.09 0.30 0.46 -0.76 -0.69 0.00 0.00 174.62 173.84 1vee s LEU 77 N 1.46 5.22 -0.79 4.42 2.01 -0.79 -0.60 118.68 129.61 1vee s LEU 77 Ca 0.07 -1.02 -0.24 0.00 0.01 0.00 0.00 54.13 52.94 1vee s LEU 77 Cb -0.15 -2.30 0.06 0.00 0.01 0.00 0.00 46.19 43.80 1vee s LEU 77 CO 0.08 -0.69 1.20 -0.31 1.01 0.00 0.00 176.35 177.64 1vee s TYR 78 N 2.04 2.53 0.12 0.29 1.51 0.17 -1.99 117.35 122.02 1vee s TYR 78 Ca 0.09 -0.48 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 1vee s TYR 78 Cb -0.21 -4.51 -0.07 0.00 -0.11 0.00 0.00 41.96 37.07 1vee s TYR 78 CO 0.10 -1.87 1.22 0.42 -1.11 0.00 0.00 175.55 174.31 1vee s ILE 79 N 4.80 3.76 -0.05 2.71 1.01 0.02 -1.21 121.20 132.23 1vee s ILE 79 Ca 0.33 1.35 0.02 0.00 0.00 0.00 0.00 60.65 62.35 1vee s ILE 79 Cb -0.09 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1vee s ILE 79 CO 0.07 0.15 -0.09 -0.22 0.00 0.00 0.00 174.94 174.85 1vee s LEU 80 N 0.50 1.59 0.33 2.97 0.20 -0.43 -2.56 118.68 121.28 1vee s LEU 80 Ca 0.57 -0.22 0.04 0.00 0.69 0.00 0.00 54.13 55.20 1vee s LEU 80 Cb -0.32 -0.65 -0.04 0.00 -0.43 0.00 0.00 46.19 44.76 1vee s LEU 80 CO 0.32 0.02 0.16 -0.62 -0.29 0.00 0.00 176.35 175.94 1vee s ASP 81 N 0.61 1.87 0.21 3.68 2.15 -1.26 -1.72 116.67 122.21 1vee s ASP 81 Ca -0.11 -1.59 -0.09 0.00 0.43 0.00 0.00 52.55 51.19 1vee s ASP 81 Cb -0.14 0.40 0.25 0.00 -0.30 0.00 0.00 42.92 43.14 1vee s ASP 81 CO 0.02 -0.90 1.80 0.07 -0.17 0.00 0.00 175.17 175.99 1vee h LYS 82 N 2.11 0.65 0.00 4.34 2.10 -1.93 0.51 116.57 124.35 1vee h LYS 82 Ca -0.33 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1vee h LYS 82 Cb 1.25 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 1vee h LYS 82 CO 0.52 0.43 0.00 1.19 -2.00 0.00 0.00 179.45 179.60 1vee n PHE 83 N -4.80 0.00 -0.09 0.07 3.72 -1.26 -0.82 117.46 114.29 1vee n PHE 83 Ca 0.09 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.47 1vee n PHE 83 Cb 0.18 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.95 1vee n PHE 83 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1vee h ASP 84 N 0.00 0.68 0.00 4.37 2.03 -1.82 -2.97 116.42 118.71 1vee h ASP 84 Ca 0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.18 1vee h ASP 84 Cb 0.00 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.32 1vee h ASP 84 CO 0.00 0.69 0.00 0.61 -1.03 0.00 0.00 179.24 179.51 1vee n GLY 85 N -0.89 0.50 0.14 7.15 0.00 -1.26 -1.00 105.19 109.83 1vee n GLY 85 Ca 0.03 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 5.06 0.09 -0.27 1.61 3.02 -1.26 -4.98 115.26 118.52 1vee n ASN 86 Ca 0.00 -1.34 -0.08 0.00 -0.03 0.00 0.00 54.58 53.13 1vee n ASN 86 Cb 0.00 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.07 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 -1.64 0.22 6.41 0.02 -1.41 0.48 113.55 117.63 1vee h SER 87 Ca 0.00 0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1vee h SER 87 Cb 1.10 0.75 -0.01 0.00 0.14 0.00 0.00 62.40 64.38 1vee h SER 87 CO 0.00 -0.31 -0.26 -0.33 -1.14 0.00 0.00 176.83 174.79 1vee h GLU 88 N -0.16 0.07 -0.09 3.45 5.08 -1.91 -1.64 114.58 119.38 1vee h GLU 88 Ca 0.20 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 1vee h GLU 88 Cb 0.54 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1vee h GLU 88 CO -0.78 0.33 -0.02 1.25 -1.00 0.00 0.00 179.01 178.79 1vee h LEU 89 N 0.07 0.17 -1.65 1.33 7.12 -1.55 -2.98 115.31 117.83 1vee h LEU 89 Ca 0.01 -0.37 -0.02 0.00 0.13 0.00 0.00 57.88 57.64 1vee h LEU 89 Cb 0.50 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.57 1vee h LEU 89 CO 0.04 0.50 0.04 0.58 -0.13 0.00 0.00 178.44 179.47 1vee h VAL 90 N -0.16 1.10 -0.07 1.05 2.07 -0.76 -1.90 116.25 117.59 1vee h VAL 90 Ca 0.02 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1vee h VAL 90 Cb 0.43 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1vee h VAL 90 CO 0.01 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.72 1vee h ALA 91 N 1.79 1.88 0.03 1.67 0.00 -1.14 -2.48 119.26 121.01 1vee h ALA 91 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1vee h ALA 91 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1vee h ALA 91 CO -0.00 0.10 -0.17 0.93 0.00 0.00 0.00 179.25 180.11 1vee h GLU 92 N 0.10 0.07 -0.39 0.00 5.08 -1.38 -3.26 114.58 114.79 1vee h GLU 92 Ca 0.02 -0.11 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1vee h GLU 92 Cb 0.06 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1vee h GLU 92 CO 0.00 1.02 -0.29 1.25 -1.00 0.00 0.00 179.01 179.99 1vee h LEU 93 N -0.82 -1.03 -0.80 1.33 5.85 -1.24 0.13 115.31 118.73 1vee h LEU 93 Ca -0.03 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 1vee h LEU 93 Cb 1.09 0.44 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 1vee h LEU 93 CO 0.03 -0.15 0.34 -0.37 -0.34 0.00 0.00 178.44 177.96 1vee h VAL 94 N -0.08 1.26 0.39 1.05 -1.51 -1.69 -2.24 116.25 113.44 1vee h VAL 94 Ca 0.06 -0.78 -0.01 0.00 -1.23 0.00 0.00 66.70 64.74 1vee h VAL 94 Cb 0.24 0.28 -0.00 0.00 -2.13 0.00 0.00 31.29 29.68 1vee h VAL 94 CO -0.41 0.32 -0.24 0.00 -1.23 0.00 0.00 177.57 176.02 1vee h ALA 95 N 1.18 -0.59 0.00 5.19 0.00 -1.43 -1.01 119.26 122.60 1vee h ALA 95 Ca 0.27 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1vee h ALA 95 Cb 0.18 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1vee h ALA 95 CO -0.03 -0.84 -0.16 -0.07 0.00 0.00 0.00 179.25 178.15 1vee h LEU 96 N -0.60 0.00 -0.66 0.00 -0.00 -0.96 -2.61 115.31 110.49 1vee h LEU 96 Ca -0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.70 1vee h LEU 96 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 1vee h LEU 96 CO 0.04 0.16 -0.50 0.78 -0.00 0.00 0.00 178.44 178.92 1vee h ASN 97 N 0.00 0.47 0.00 -0.43 2.35 -0.93 -3.47 115.58 113.57 1vee h ASN 97 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1vee h ASN 97 Cb 0.34 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1vee h ASN 97 CO 0.02 0.89 0.00 0.61 -1.65 0.00 0.00 177.43 177.30 1vee n GLY 98 N 0.12 0.12 3.75 2.83 0.00 -0.90 -5.10 105.19 106.02 1vee n GLY 98 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 2.40 0.03 1.61 0.08 -0.43 -3.21 117.98 118.46 1vee s PHE 99 Ca 0.00 1.58 -0.12 0.00 0.12 0.00 0.00 56.93 58.51 1vee s PHE 99 Cb 0.00 -3.25 -0.06 0.00 -0.57 0.00 0.00 43.02 39.15 1vee s PHE 99 CO 0.00 -2.02 1.19 -0.22 -0.10 0.00 0.00 175.22 174.07 1vee h LYS 100 N -0.30 -0.30 0.00 0.44 1.63 -1.18 -3.41 116.57 113.45 1vee h LYS 100 Ca -0.46 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.29 1vee h LYS 100 Cb 1.26 0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1vee h LYS 100 CO 0.52 -0.20 0.19 0.43 -3.45 0.00 0.00 179.45 176.94 1vee n SER 101 N -3.42 -2.06 -3.65 4.20 7.64 -1.26 -4.97 113.62 110.10 1vee n SER 101 Ca -0.04 -2.58 -0.08 0.00 1.01 0.00 0.00 58.87 57.18 1vee n SER 101 Cb 0.15 3.47 -0.08 0.00 -1.01 0.00 0.00 64.21 66.75 1vee n SER 101 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vee s ALA 102 N -2.16 -1.73 0.31 -0.43 0.00 -1.26 -1.89 121.76 114.60 1vee s ALA 102 Ca 0.17 2.25 0.07 0.00 0.00 0.00 0.00 51.96 54.45 1vee s ALA 102 Cb -0.04 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 1vee s ALA 102 CO 0.13 -0.36 0.38 0.71 0.00 0.00 0.00 175.76 176.62 1vee s TYR 103 N 1.51 3.11 -0.07 0.00 1.51 -0.84 -3.19 117.35 119.38 1vee s TYR 103 Ca -0.09 -0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1vee s TYR 103 Cb -0.06 -1.81 0.04 0.00 -0.11 0.00 0.00 41.96 40.02 1vee s TYR 103 CO -0.17 0.17 0.11 0.00 -1.11 0.00 0.00 175.55 174.55 1vee s ALA 104 N -2.17 0.03 -0.31 3.71 0.00 -1.25 -0.80 121.76 120.96 1vee s ALA 104 Ca 0.41 0.37 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 1vee s ALA 104 Cb -0.08 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.31 1vee s ALA 104 CO 0.29 -0.55 1.09 0.42 0.00 0.00 0.00 175.76 177.01 1vee s ILE 105 N 2.24 4.48 0.54 0.00 1.09 -1.06 -3.45 121.20 125.04 1vee s ILE 105 Ca 0.04 1.71 -0.21 0.00 -1.10 0.00 0.00 60.65 61.10 1vee s ILE 105 Cb -0.12 -4.39 -0.05 0.00 -1.06 0.00 0.00 42.46 36.84 1vee s ILE 105 CO -0.05 -0.47 1.21 -0.75 -0.10 0.00 0.00 174.94 174.79 1vee s LYS 106 N 3.68 3.27 0.00 2.79 2.47 -1.26 -2.42 119.74 128.27 1vee s LYS 106 Ca 0.46 1.85 0.00 0.00 -1.56 0.00 0.00 55.97 56.73 1vee s LYS 106 Cb -0.13 -2.13 0.00 0.00 -1.46 0.00 0.00 37.83 34.12 1vee s LYS 106 CO 0.16 -0.97 0.00 -0.25 0.16 0.00 0.00 175.35 174.44 1vee n ASP 107 N -1.15 0.00 0.00 1.43 9.92 -1.26 -4.50 116.55 120.99 1vee n ASP 107 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1vee n ASP 107 Cb 0.49 -1.46 0.00 0.00 -0.64 0.00 0.00 41.12 39.51 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 -2.00 2.88 0.09 0.44 0.00 -1.02 -1.00 105.19 104.59 1vee n GLY 108 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 9.11 0.73 0.78 4.61 0.00 0.17 -2.39 120.51 133.53 1vee n ALA 109 Ca 0.00 -0.63 0.13 0.00 0.00 0.00 0.00 53.44 52.94 1vee n ALA 109 Cb 0.00 -0.07 0.48 0.00 0.00 0.00 0.00 19.45 19.86 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 -4.49 0.15 -0.93 0.00 1.02 0.00 -2.87 120.64 113.52 1vee n GLU 110 Ca -0.20 0.12 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 1vee n GLU 110 Cb 0.50 -1.67 0.21 0.00 -0.02 0.00 0.00 31.44 30.45 1vee n GLU 110 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1vee s GLY 111 N -3.34 1.56 0.20 0.62 0.00 -0.17 -4.84 107.32 101.35 1vee s GLY 111 Ca 0.12 -0.29 -0.10 0.00 0.00 0.00 0.00 44.72 44.45 1vee s GLY 111 CO 0.57 0.37 1.72 -0.56 0.00 0.00 0.00 173.10 175.20 1vee h PRO 112 N -2.19 0.28 -0.66 2.90 0.13 -1.92 0.19 132.00 130.72 1vee h PRO 112 Ca -0.57 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.47 1vee h PRO 112 Cb 1.33 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 1vee h PRO 112 CO 0.55 0.18 0.09 2.89 -0.23 0.00 0.00 178.00 181.48 1vee n ARG 113 N -5.10 4.35 -0.83 0.86 1.85 -1.26 -4.75 116.66 111.78 1vee n ARG 113 Ca 0.08 -2.96 -0.30 0.00 -1.00 0.00 0.00 57.85 53.67 1vee n ARG 113 Cb 0.30 -2.21 0.25 0.00 -1.05 0.00 0.00 32.46 29.74 1vee n ARG 113 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1vee s GLY 114 N -0.79 1.53 0.04 2.89 0.00 0.05 -4.25 107.32 106.78 1vee s GLY 114 Ca 0.52 -0.73 -0.09 0.00 0.00 0.00 0.00 44.72 44.42 1vee s GLY 114 CO 0.14 0.13 1.15 -0.25 0.00 0.00 0.00 173.10 174.27 1vee h TRP 115 N -2.74 -0.46 -0.68 1.90 2.91 -1.33 -1.16 115.95 114.39 1vee h TRP 115 Ca -0.48 0.02 0.13 0.00 1.13 0.00 0.00 58.89 59.69 1vee h TRP 115 Cb 1.32 0.22 -0.09 0.00 -0.51 0.00 0.00 29.16 30.10 1vee h TRP 115 CO -1.80 -0.13 0.22 -0.07 -1.03 0.00 0.00 178.44 175.62 1vee h LEU 116 N -0.11 0.15 0.00 0.65 3.38 -1.80 -0.19 115.31 117.39 1vee h LEU 116 Ca 0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1vee h LEU 116 Cb 0.16 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1vee h LEU 116 CO -0.16 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.02 1vee n ASN 117 N -5.06 0.00 -1.59 -0.43 3.02 -1.02 -3.19 115.26 106.99 1vee n ASN 117 Ca 0.12 0.30 0.08 0.00 -0.03 0.00 0.00 54.58 55.04 1vee n ASN 117 Cb 0.37 -0.41 0.36 0.00 -0.61 0.00 0.00 39.78 39.49 1vee n ASN 117 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1vee n SER 118 N -1.41 5.17 -2.45 6.41 7.64 -0.09 -4.86 113.62 124.03 1vee n SER 118 Ca 0.06 -2.93 -0.20 0.00 1.01 0.00 0.00 58.87 56.81 1vee n SER 118 Cb 0.18 -0.64 0.01 0.00 -1.01 0.00 0.00 64.21 62.74 1vee n SER 118 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1vee n SER 119 N 0.33 -5.68 -4.90 6.43 2.88 -1.19 -4.77 113.62 106.71 1vee n SER 119 Ca 0.26 -0.12 -0.33 0.00 -1.33 0.00 0.00 58.87 57.35 1vee n SER 119 Cb 1.10 -4.63 -0.05 0.00 -0.75 0.00 0.00 64.21 59.88 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 -5.84 4.36 0.32 2.46 1.43 -1.18 -5.09 118.68 115.15 1vee s LEU 120 Ca 0.11 0.38 -0.26 0.00 -1.03 0.00 0.00 54.13 53.33 1vee s LEU 120 Cb -0.05 -2.71 -0.10 0.00 0.03 0.00 0.00 46.19 43.36 1vee s LEU 120 CO 0.14 0.24 0.93 -2.16 0.23 0.00 0.00 176.35 175.72 1vee s PRO 121 N -2.04 4.56 0.04 1.29 0.04 -1.26 -4.54 135.00 133.09 1vee s PRO 121 Ca 0.29 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 1vee s PRO 121 Cb -0.13 -2.80 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 1vee s PRO 121 CO 0.20 0.29 0.04 -0.46 0.04 0.00 0.00 177.00 177.11 1vee s TRP 122 N -1.61 0.31 -0.65 0.56 -0.11 -1.26 -3.29 118.94 112.88 1vee s TRP 122 Ca 0.50 -0.70 -0.04 0.00 1.22 0.00 0.00 56.10 57.07 1vee s TRP 122 Cb -0.18 -0.22 0.17 0.00 -1.50 0.00 0.00 33.47 31.73 1vee s TRP 122 CO 0.23 -0.36 0.47 0.42 -4.62 0.00 0.00 176.95 173.10 1vee s ILE 123 N -3.00 3.90 0.65 5.86 1.01 0.28 -4.87 121.20 125.03 1vee s ILE 123 Ca -0.02 -2.93 -0.15 0.00 0.00 0.00 0.00 60.65 57.55 1vee s ILE 123 Cb 0.01 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1vee s ILE 123 CO -0.06 -0.89 1.10 -1.61 0.00 0.00 0.00 174.94 173.47 1vee s GLU 124 N -0.07 2.88 1.12 2.79 8.01 -1.26 -1.81 118.70 130.37 1vee s GLU 124 Ca 0.17 1.34 -0.19 0.00 0.01 0.00 0.00 54.97 56.31 1vee s GLU 124 Cb -0.19 -1.96 0.26 0.00 -4.31 0.00 0.00 34.13 27.93 1vee s GLU 124 CO -0.04 -1.18 1.20 -1.25 0.01 0.00 0.00 175.26 174.01 1vee s PRO 125 N -4.14 -0.62 0.05 0.39 0.04 -1.26 -4.93 135.00 124.54 1vee s PRO 125 Ca 0.66 -0.27 -0.34 0.00 0.04 0.00 0.00 61.00 61.09 1vee s PRO 125 Cb -0.19 -1.69 -0.19 0.00 0.04 0.00 0.00 34.50 32.47 1vee s PRO 125 CO 0.41 -3.28 1.51 0.87 0.04 0.00 0.00 177.00 176.55 1vee h LYS 126 N -2.26 -1.06 -7.25 4.56 6.56 -1.95 -3.43 116.57 111.74 1vee h LYS 126 Ca -0.44 0.07 -0.50 0.00 -1.06 0.00 0.00 60.65 58.72 1vee h LYS 126 Cb 1.26 0.24 0.08 0.00 -0.57 0.00 0.00 32.23 33.25 1vee h LYS 126 CO 0.33 -0.70 0.37 0.21 -2.06 0.00 0.00 179.45 177.60 1vee s LYS 127 N -5.76 3.09 0.10 3.15 2.47 -1.26 -5.07 119.74 116.46 1vee s LYS 127 Ca -0.18 1.14 0.01 0.00 -1.56 0.00 0.00 55.97 55.38 1vee s LYS 127 Cb 0.02 -2.00 -0.04 0.00 -1.46 0.00 0.00 37.83 34.35 1vee s LYS 127 CO 0.58 -0.99 -0.03 -0.08 0.16 0.00 0.00 175.35 174.99 1vee s THR 128 N -2.66 0.52 1.06 3.43 -1.32 -1.26 -4.95 115.64 110.46 1vee s THR 128 Ca 0.62 -1.91 -0.18 0.00 -1.21 0.00 0.00 61.69 59.01 1vee s THR 128 Cb -0.16 -1.76 0.26 0.00 -1.51 0.00 0.00 72.50 69.33 1vee s THR 128 CO 0.44 -0.79 1.02 -0.24 -2.21 0.00 0.00 174.62 172.84 1vee n SER 129 N -0.05 -1.61 0.00 8.08 2.88 -1.26 -5.07 113.62 116.59 1vee n SER 129 Ca -0.11 -1.16 0.00 0.00 -1.33 0.00 0.00 58.87 56.27 1vee n SER 129 Cb 0.62 -0.90 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 1vee n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1vee n GLY 130 N -3.80 -1.85 3.40 0.46 0.00 -1.26 -5.18 105.19 96.97 1vee n GLY 130 Ca 0.14 0.82 -0.26 0.00 0.00 0.00 0.00 46.02 46.72 1vee n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vee n PRO 131 N 0.00 -1.36 -4.21 1.61 -0.04 -1.26 -5.12 135.00 124.61 1vee n PRO 131 Ca 0.00 -1.80 -0.15 0.00 -0.04 0.00 0.00 63.50 61.51 1vee n PRO 131 Cb 0.00 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 1vee n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vee s SER 132 N -5.20 1.64 0.13 3.54 0.15 -1.26 -5.16 113.70 107.53 1vee s SER 132 Ca 0.67 -0.90 0.07 0.00 0.70 0.00 0.00 55.95 56.49 1vee s SER 132 Cb -0.02 -0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1vee s SER 132 CO 0.47 -0.29 -0.07 -0.55 1.20 0.00 0.00 173.24 174.01 1vee s SER 133 N -2.77 4.51 0.00 5.45 0.15 -1.26 -5.37 113.70 114.41 1vee s SER 133 Ca 0.11 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.36 1vee s SER 133 Cb -0.01 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.42 1vee s SER 133 CO 0.00 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.20