#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 0.07 0.11 1.61 0.01 -1.26 -5.12 113.70 109.12 1vee s SER 2 Ca 0.00 -0.23 -0.17 0.00 1.31 0.00 0.00 55.95 56.86 1vee s SER 2 Cb 0.00 0.17 0.04 0.00 0.21 0.00 0.00 66.02 66.44 1vee s SER 2 CO 0.00 -0.30 0.41 -0.55 0.41 0.00 0.00 173.24 173.21 1vee s SER 3 N -1.18 -0.25 0.89 2.44 0.15 -1.26 -5.06 113.70 109.43 1vee s SER 3 Ca -0.13 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1vee s SER 3 Cb -0.07 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1vee s SER 3 CO 0.01 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.23 1vee n GLY 4 N -0.12 0.62 2.59 9.45 0.00 -1.26 -2.48 105.19 113.99 1vee n GLY 4 Ca -0.16 0.65 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 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 7.35 -0.85 -4.73 1.61 7.64 -1.26 -5.01 113.62 118.37 1vee n SER 5 Ca 0.00 -3.05 -0.32 0.00 1.01 0.00 0.00 58.87 56.51 1vee n SER 5 Cb 0.00 0.69 0.11 0.00 -1.01 0.00 0.00 64.21 64.00 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 -1.84 4.05 0.00 6.43 1.04 -1.03 -1.68 113.70 120.67 1vee s SER 6 Ca 0.27 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.76 1vee s SER 6 Cb 0.36 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1vee s SER 6 CO -0.05 -2.35 0.00 0.61 0.98 0.00 0.00 173.24 172.43 1vee n GLY 7 N -0.37 0.83 3.58 7.32 0.00 -0.92 -4.84 105.19 110.79 1vee n GLY 7 Ca 0.11 0.42 0.03 0.00 0.00 0.00 0.00 46.02 46.58 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 2.00 -0.03 0.10 1.61 0.01 -1.26 -4.07 113.70 112.06 1vee s SER 8 Ca 0.00 -0.06 -0.24 0.00 1.31 0.00 0.00 55.95 56.96 1vee s SER 8 Cb 0.00 0.07 -0.12 0.00 0.21 0.00 0.00 66.02 66.18 1vee s SER 8 CO 0.00 -0.13 1.71 0.00 0.41 0.00 0.00 173.24 175.22 1vee h ALA 9 N 2.00 -0.14 -0.14 1.44 0.00 -1.72 -2.09 119.26 118.60 1vee h ALA 9 Ca -0.32 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1vee h ALA 9 Cb 1.19 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1vee h ALA 9 CO 0.29 -0.60 -0.26 0.87 0.00 0.00 0.00 179.25 179.55 1vee h LYS 10 N -0.17 -0.31 -0.24 0.00 1.57 -1.91 0.08 116.57 115.59 1vee h LYS 10 Ca 0.01 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1vee h LYS 10 Cb 0.18 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1vee h LYS 10 CO -0.04 -0.21 -0.13 -0.97 -0.57 0.00 0.00 179.45 177.54 1vee h ASN 11 N -0.32 -0.42 -0.62 0.86 -1.24 -1.94 -2.23 115.58 109.67 1vee h ASN 11 Ca 0.10 0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.22 1vee h ASN 11 Cb 0.48 0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.73 1vee h ASN 11 CO -0.33 -0.16 0.41 0.00 -1.29 0.00 0.00 177.43 176.06 1vee h ALA 12 N 1.09 0.78 -0.65 1.57 0.00 -0.85 -1.25 119.26 119.95 1vee h ALA 12 Ca 0.13 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1vee h ALA 12 Cb 0.30 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1vee h ALA 12 CO -0.30 0.21 0.36 -0.92 0.00 0.00 0.00 179.25 178.60 1vee h TYR 13 N 0.84 0.66 0.29 0.00 3.20 -0.43 0.20 116.97 121.73 1vee h TYR 13 Ca 0.23 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 1vee h TYR 13 Cb -0.09 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1vee h TYR 13 CO -0.03 0.32 -0.14 1.15 -1.64 0.00 0.00 178.16 177.82 1vee h THR 14 N 0.67 0.75 -0.75 1.81 2.02 -1.14 -1.44 112.91 114.82 1vee h THR 14 Ca 0.29 -0.31 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1vee h THR 14 Cb 0.17 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 1vee h THR 14 CO -0.17 0.07 0.44 0.11 0.37 0.00 0.00 175.52 176.33 1vee h LYS 15 N -0.55 0.77 -0.92 6.66 1.79 -0.77 -0.87 116.57 122.68 1vee h LYS 15 Ca -0.04 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1vee h LYS 15 Cb 0.40 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 1vee h LYS 15 CO 0.06 0.51 0.60 -0.07 -1.08 0.00 0.00 179.45 179.47 1vee h LEU 16 N 0.79 1.00 -0.75 2.94 3.38 -0.51 0.90 115.31 123.05 1vee h LEU 16 Ca 0.34 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1vee h LEU 16 Cb 0.21 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1vee h LEU 16 CO -0.19 0.69 -0.03 1.23 0.09 0.00 0.00 178.44 180.23 1vee h GLY 17 N 1.17 0.00 0.00 0.83 0.00 -0.12 -3.27 103.07 101.69 1vee h GLY 17 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1vee h GLY 17 CO -0.11 0.00 -0.69 -1.30 0.00 0.00 0.00 176.54 174.44 1vee n THR 18 N -3.12 0.00 -3.44 4.70 -2.24 -0.45 -4.95 114.28 104.78 1vee n THR 18 Ca 0.02 -0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.24 1vee n THR 18 Cb 0.43 0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 69.56 1vee n THR 18 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1vee s ASP 19 N -2.35 6.72 0.09 3.42 -1.08 0.25 -5.02 116.67 118.69 1vee s ASP 19 Ca 0.05 0.85 0.00 0.00 -0.52 0.00 0.00 52.55 52.93 1vee s ASP 19 Cb 0.10 -2.25 -0.25 0.00 -1.46 0.00 0.00 42.92 39.06 1vee s ASP 19 CO 0.57 0.19 1.18 -0.78 0.52 0.00 0.00 175.17 176.84 1vee h ASP 20 N 5.65 0.25 0.16 -0.34 1.82 -1.90 -3.37 116.42 118.70 1vee h ASP 20 Ca -0.47 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 55.90 1vee h ASP 20 Cb 1.20 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.13 1vee h ASP 20 CO 0.68 1.22 -1.18 0.59 -1.61 0.00 0.00 179.24 178.94 1vee n ASN 21 N -3.45 0.65 -4.70 2.28 4.13 -1.26 -5.02 115.26 107.88 1vee n ASN 21 Ca -0.06 -0.51 -0.37 0.00 1.68 0.00 0.00 54.58 55.32 1vee n ASN 21 Cb 0.99 1.10 0.06 0.00 -1.54 0.00 0.00 39.78 40.39 1vee n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vee n ALA 22 N -1.75 0.96 -2.88 5.41 0.00 -1.26 -3.93 120.51 117.06 1vee n ALA 22 Ca 0.02 0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 1vee n ALA 22 Cb 0.41 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.53 1vee n ALA 22 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1vee s GLN 23 N -3.15 1.19 -0.14 0.00 -1.52 -0.31 -4.87 119.66 110.85 1vee s GLN 23 Ca 0.80 -1.05 -0.05 0.00 -1.95 0.00 0.00 55.36 53.11 1vee s GLN 23 Cb -0.39 0.42 -0.03 0.00 -0.22 0.00 0.00 33.01 32.78 1vee s GLN 23 CO 0.43 -0.46 0.02 -1.17 -0.25 0.00 0.00 175.29 173.86 1vee s LEU 24 N -2.93 3.61 -0.29 2.90 1.98 -1.26 -1.51 118.68 121.18 1vee s LEU 24 Ca 0.13 0.06 0.03 0.00 -2.89 0.00 0.00 54.13 51.46 1vee s LEU 24 Cb 0.02 -1.87 0.08 0.00 0.66 0.00 0.00 46.19 45.08 1vee s LEU 24 CO -0.02 0.24 -0.01 -0.22 -1.89 0.00 0.00 176.35 174.45 1vee s LEU 25 N -0.07 3.72 -0.39 -0.68 2.96 0.37 -1.32 118.68 123.27 1vee s LEU 25 Ca 0.04 -1.70 -0.29 0.00 -0.22 0.00 0.00 54.13 51.96 1vee s LEU 25 Cb -0.13 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1vee s LEU 25 CO 0.02 -0.30 1.30 -1.81 -1.32 0.00 0.00 176.35 174.24 1vee s ASP 26 N 1.12 6.54 0.00 3.68 1.01 0.31 -1.70 116.67 127.63 1vee s ASP 26 Ca 0.02 0.88 0.23 0.00 0.71 0.00 0.00 52.55 54.39 1vee s ASP 26 Cb -0.19 -2.54 0.63 0.00 1.01 0.00 0.00 42.92 41.83 1vee s ASP 26 CO -0.08 -1.25 1.50 2.30 0.21 0.00 0.00 175.17 177.84 1vee n ILE 27 N 6.69 0.23 -0.69 0.77 -5.35 -0.25 -1.05 119.36 119.71 1vee n ILE 27 Ca 0.15 -0.46 -0.29 0.00 -0.27 0.00 0.00 62.75 61.87 1vee n ILE 27 Cb 0.48 0.71 0.22 0.00 -1.74 0.00 0.00 39.64 39.30 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 -1.77 -0.23 0.10 6.28 0.52 -1.25 -2.00 118.95 120.60 1vee s ARG 28 Ca 0.34 0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 56.21 1vee s ARG 28 Cb 0.20 -1.63 -0.06 0.00 0.52 0.00 0.00 34.95 33.98 1vee s ARG 28 CO 0.29 -3.30 1.02 0.00 0.02 0.00 0.00 175.30 173.34 1vee s ALA 29 N -2.58 3.28 0.56 2.13 0.00 -1.26 -4.04 121.76 119.85 1vee s ALA 29 Ca 0.67 0.66 0.43 0.00 0.00 0.00 0.00 51.96 53.72 1vee s ALA 29 Cb -0.23 -3.32 1.58 0.00 0.00 0.00 0.00 23.12 21.15 1vee s ALA 29 CO 0.62 -0.14 1.63 1.15 0.00 0.00 0.00 175.76 179.01 1vee h THR 30 N 4.13 0.14 -0.05 0.00 2.02 -1.99 0.50 112.91 117.66 1vee h THR 30 Ca -0.43 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.56 1vee h THR 30 Cb 1.21 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 1vee h THR 30 CO 0.73 0.00 -0.79 0.00 0.37 0.00 0.00 175.52 175.84 1vee h ALA 31 N 1.09 0.54 0.00 6.16 0.00 -2.02 -3.23 119.26 121.81 1vee h ALA 31 Ca 0.75 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1vee h ALA 31 Cb 3.13 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 20.86 1vee h ALA 31 CO -0.01 0.79 -0.14 0.22 0.00 0.00 0.00 179.25 180.11 1vee h ASP 32 N 0.25 0.00 0.24 0.00 3.58 -1.28 -1.20 116.42 118.01 1vee h ASP 32 Ca -0.04 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1vee h ASP 32 Cb 1.38 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.43 1vee h ASP 32 CO 0.13 0.14 -0.01 -0.26 -2.88 0.00 0.00 179.24 176.36 1vee h PHE 33 N 0.00 0.00 0.06 0.28 -1.00 -1.66 0.51 116.94 115.13 1vee h PHE 33 Ca -0.00 0.00 -0.34 0.00 2.81 0.00 0.00 57.97 60.44 1vee h PHE 33 Cb 0.28 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.80 1vee h PHE 33 CO 0.00 0.01 -1.95 0.54 -1.61 0.00 0.00 178.31 175.30 1vee n ARG 34 N -3.22 0.69 0.02 1.51 5.12 -0.49 -2.94 116.66 117.36 1vee n ARG 34 Ca -0.02 0.25 -0.05 0.00 -1.93 0.00 0.00 57.85 56.10 1vee n ARG 34 Cb 0.14 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.69 1vee n ARG 34 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1vee h GLN 35 N 0.03 -0.16 0.00 5.56 4.20 -0.83 -3.41 115.11 120.50 1vee h GLN 35 Ca -0.39 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1vee h GLN 35 Cb 2.03 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.85 1vee h GLN 35 CO 0.07 0.05 -1.75 1.55 -0.67 0.00 0.00 178.83 178.08 1vee n VAL 36 N -4.87 0.00 -0.80 -0.54 3.14 0.04 -4.76 118.33 110.54 1vee n VAL 36 Ca -0.04 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1vee n VAL 36 Cb 0.14 0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 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 -1.83 3.15 7.55 0.00 -1.15 -4.28 105.19 110.11 1vee n GLY 37 Ca -0.03 -1.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 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 0.34 0.70 1.61 1.04 -0.77 -4.31 113.70 108.32 1vee s SER 38 Ca 0.00 -0.96 -0.12 0.00 0.48 0.00 0.00 55.95 55.34 1vee s SER 38 Cb 0.00 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.41 1vee s SER 38 CO 0.00 -0.68 1.08 -2.16 0.98 0.00 0.00 173.24 172.46 1vee s PRO 39 N -3.94 2.69 -0.60 4.02 0.04 -1.26 -0.82 135.00 135.13 1vee s PRO 39 Ca 0.11 1.17 0.06 0.00 0.04 0.00 0.00 61.00 62.38 1vee s PRO 39 Cb 0.07 -1.95 0.21 0.00 0.04 0.00 0.00 34.50 32.87 1vee s PRO 39 CO -0.07 -1.31 0.58 0.27 0.04 0.00 0.00 177.00 176.51 1vee n ASN 40 N -2.97 2.50 0.00 6.66 2.04 -1.26 -4.66 115.26 117.57 1vee n ASN 40 Ca 0.09 -3.13 0.09 0.00 -0.44 0.00 0.00 54.58 51.18 1vee n ASN 40 Cb 0.53 -0.68 0.51 0.00 -2.53 0.00 0.00 39.78 37.60 1vee n ASN 40 CO 0.00 0.00 0.00 2.30 -0.44 0.00 0.00 177.26 179.12 1vee n ILE 41 N 1.55 0.00 0.03 1.53 -5.35 -1.26 -3.55 119.36 112.31 1vee n ILE 41 Ca 0.25 0.00 0.13 0.00 -0.27 0.00 0.00 62.75 62.86 1vee n ILE 41 Cb 0.41 -0.48 0.59 0.00 -1.74 0.00 0.00 39.64 38.42 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 0.18 -0.62 6.28 1.57 -1.86 -1.63 116.57 120.48 1vee h LYS 42 Ca 0.00 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1vee h LYS 42 Cb 0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 1vee h LYS 42 CO 0.00 0.12 0.26 0.78 -0.57 0.00 0.00 179.45 180.04 1vee h GLY 43 N 0.19 0.89 1.50 3.86 0.00 -1.86 -1.39 103.07 106.26 1vee h GLY 43 Ca 0.19 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 1vee h GLY 43 CO -0.03 0.01 -0.61 1.41 0.00 0.00 0.00 176.54 177.32 1vee h LEU 44 N 0.46 0.58 0.00 3.11 3.38 -1.61 -3.47 115.31 117.76 1vee h LEU 44 Ca 0.31 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vee h LEU 44 Cb 0.35 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1vee h LEU 44 CO -0.28 1.05 0.00 0.61 0.09 0.00 0.00 178.44 179.91 1vee n GLY 45 N 0.36 1.40 3.69 0.83 0.00 -0.52 -5.03 105.19 105.92 1vee n GLY 45 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.13 -0.02 1.61 -0.14 -1.09 -4.97 119.74 117.25 1vee s LYS 46 Ca 0.00 -2.35 0.00 0.00 -1.36 0.00 0.00 55.97 52.27 1vee s LYS 46 Cb 0.00 -1.25 0.02 0.00 -1.68 0.00 0.00 37.83 34.92 1vee s LYS 46 CO 0.00 -0.41 -0.00 -1.59 -0.76 0.00 0.00 175.35 172.59 1vee s LYS 47 N -3.82 0.28 0.96 1.68 -2.85 -1.26 -2.73 119.74 111.99 1vee s LYS 47 Ca 0.10 0.05 -0.12 0.00 -1.00 0.00 0.00 55.97 55.00 1vee s LYS 47 Cb 0.02 -0.43 0.16 0.00 -2.06 0.00 0.00 37.83 35.52 1vee s LYS 47 CO 0.06 -0.10 1.10 0.00 0.10 0.00 0.00 175.35 176.51 1vee s ALA 48 N 0.84 1.22 -0.01 0.59 0.00 -1.26 -4.36 121.76 118.78 1vee s ALA 48 Ca -0.08 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1vee s ALA 48 Cb -0.12 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.88 1vee s ALA 48 CO -0.01 -2.63 -0.02 0.08 0.00 0.00 0.00 175.76 173.18 1vee s VAL 49 N -2.99 0.23 -0.16 0.00 1.01 -0.43 -4.97 120.40 113.09 1vee s VAL 49 Ca 0.64 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.55 1vee s VAL 49 Cb -0.18 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1vee s VAL 49 CO 0.57 0.08 -0.18 -0.94 0.00 0.00 0.00 175.10 174.63 1vee s SER 50 N 0.14 3.43 -0.28 3.32 1.04 -1.26 -0.53 113.70 119.55 1vee s SER 50 Ca -0.01 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.89 1vee s SER 50 Cb -0.04 -1.52 0.16 0.00 0.10 0.00 0.00 66.02 64.72 1vee s SER 50 CO -0.00 0.07 0.42 -0.89 0.98 0.00 0.00 173.24 173.81 1vee s THR 51 N 0.90 -0.66 -0.15 2.02 2.01 -0.22 -4.96 115.64 114.60 1vee s THR 51 Ca -0.04 -0.22 -0.34 0.00 0.31 0.00 0.00 61.69 61.40 1vee s THR 51 Cb -0.15 -0.95 -0.11 0.00 0.01 0.00 0.00 72.50 71.30 1vee s THR 51 CO -0.02 -0.22 1.95 0.52 -0.69 0.00 0.00 174.62 176.15 1vee n VAL 52 N 5.36 0.50 -2.71 3.82 0.31 -1.26 -4.22 118.33 120.13 1vee n VAL 52 Ca -0.00 -0.16 -0.41 0.00 -0.01 0.00 0.00 64.34 63.76 1vee n VAL 52 Cb 0.50 -1.88 -0.04 0.00 -0.91 0.00 0.00 33.84 31.51 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 4.91 3.79 -0.18 3.52 5.04 -0.85 -4.99 117.35 128.59 1vee s TYR 53 Ca 0.96 1.78 -0.06 0.00 -2.44 0.00 0.00 57.07 57.31 1vee s TYR 53 Cb -0.70 -3.07 0.08 0.00 0.35 0.00 0.00 41.96 38.62 1vee s TYR 53 CO 0.51 0.14 0.37 0.54 -1.34 0.00 0.00 175.55 175.76 1vee s ASN 54 N -0.00 -0.05 0.66 4.32 4.22 -1.26 -5.01 114.94 117.81 1vee s ASN 54 Ca 0.47 0.85 0.26 0.00 -2.14 0.00 0.00 52.86 52.31 1vee s ASN 54 Cb -0.24 1.15 1.41 0.00 1.28 0.00 0.00 41.25 44.85 1vee s ASN 54 CO 0.30 -0.24 1.80 1.23 -2.04 0.00 0.00 177.10 178.15 1vee h GLY 55 N 8.21 0.00 2.00 0.45 0.00 -2.00 -0.68 103.07 111.05 1vee h GLY 55 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1vee h GLY 55 CO 0.13 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.50 1vee h GLU 56 N 0.00 0.00 0.00 4.80 4.39 -2.02 -3.30 114.58 118.46 1vee h GLU 56 Ca 0.03 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1vee h GLU 56 Cb 0.90 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.31 1vee h GLU 56 CO -0.00 0.00 -0.83 -0.40 -1.16 0.00 0.00 179.01 176.62 1vee n ASP 57 N -2.56 1.20 -0.37 1.42 5.68 -0.26 -4.95 116.55 116.71 1vee n ASP 57 Ca 0.02 -2.61 -0.04 0.00 -0.50 0.00 0.00 54.79 51.66 1vee n ASP 57 Cb 0.28 -0.37 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1vee n ASP 57 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1vee n LYS 58 N -0.07 -0.29 -0.28 0.11 5.02 -1.23 0.07 118.16 121.50 1vee n LYS 58 Ca 0.10 1.44 -0.06 0.00 -2.02 0.00 0.00 58.31 57.77 1vee n LYS 58 Cb 0.98 -2.13 0.06 0.00 -0.02 0.00 0.00 35.03 33.92 1vee n LYS 58 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1vee h PRO 59 N 0.00 1.12 0.11 1.97 0.13 -1.92 -1.80 132.00 131.61 1vee h PRO 59 Ca 0.27 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1vee h PRO 59 Cb 0.50 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1vee h PRO 59 CO -0.92 0.89 -0.08 0.78 -0.23 0.00 0.00 178.00 178.45 1vee h GLY 60 N 1.09 -0.19 0.57 1.56 0.00 -0.75 -0.88 103.07 104.45 1vee h GLY 60 Ca 0.26 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1vee h GLY 60 CO -0.03 -0.09 -0.25 -2.75 0.00 0.00 0.00 176.54 173.43 1vee h PHE 61 N -0.20 -0.66 -0.68 5.60 3.04 -0.22 -1.14 116.94 122.67 1vee h PHE 61 Ca -0.00 0.01 0.13 0.00 3.98 0.00 0.00 57.97 62.09 1vee h PHE 61 Cb 0.18 0.28 -0.09 0.00 2.56 0.00 0.00 35.95 38.88 1vee h PHE 61 CO -0.10 -0.35 0.20 -0.07 -2.02 0.00 0.00 178.31 175.97 1vee h LEU 62 N -0.45 0.10 -1.05 0.59 3.38 -1.17 0.41 115.31 117.11 1vee h LEU 62 Ca 0.03 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1vee h LEU 62 Cb 0.48 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 1vee h LEU 62 CO -0.14 0.04 0.23 0.11 0.09 0.00 0.00 178.44 178.76 1vee h LYS 63 N 0.33 0.91 -0.14 1.13 1.57 -0.49 0.15 116.57 120.02 1vee h LYS 63 Ca 0.37 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1vee h LYS 63 Cb 0.56 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1vee h LYS 63 CO -0.42 0.75 0.04 0.87 -0.57 0.00 0.00 179.45 180.12 1vee h LYS 64 N 0.89 0.20 0.16 3.15 1.57 0.30 -1.63 116.57 121.21 1vee h LYS 64 Ca 0.21 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.72 1vee h LYS 64 Cb 0.20 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.49 1vee h LYS 64 CO -0.02 0.19 -1.15 -0.07 -0.57 0.00 0.00 179.45 177.83 1vee h LEU 65 N 0.20 0.52 -2.46 2.94 -0.00 -0.93 -3.32 115.31 112.25 1vee h LEU 65 Ca 0.05 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 57.02 1vee h LEU 65 Cb 0.08 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 40.57 1vee h LEU 65 CO -0.00 1.53 0.01 -1.28 -0.00 0.00 0.00 178.44 178.70 1vee h SER 66 N -0.24 0.00 0.92 -0.43 0.87 -0.56 0.16 113.55 114.27 1vee h SER 66 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1vee h SER 66 Cb 1.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.75 1vee h SER 66 CO 0.15 0.00 -0.06 0.00 -0.53 0.00 0.00 176.83 176.39 1vee n LEU 67 N -3.85 0.06 -0.07 2.23 -0.00 -0.65 -4.00 117.00 110.72 1vee n LEU 67 Ca -0.03 0.43 -0.12 0.00 -0.00 0.00 0.00 56.01 56.29 1vee n LEU 67 Cb 0.09 -0.46 -0.06 0.00 -0.00 0.00 0.00 43.42 42.99 1vee n LEU 67 CO 0.27 0.02 -0.98 2.29 -0.00 0.00 0.00 177.39 178.99 1vee n LYS 68 N -1.49 0.35 -2.99 1.47 -0.00 -0.09 -4.86 118.16 110.55 1vee n LYS 68 Ca 0.07 0.10 -0.43 0.00 -0.00 0.00 0.00 58.31 58.05 1vee n LYS 68 Cb 0.34 -1.21 -0.05 0.00 -0.00 0.00 0.00 35.03 34.11 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 -2.28 2.87 0.44 5.58 0.08 0.38 -4.91 117.98 120.14 1vee s PHE 69 Ca -0.20 -0.50 0.13 0.00 0.12 0.00 0.00 56.93 56.48 1vee s PHE 69 Cb 0.06 -3.97 1.02 0.00 -0.57 0.00 0.00 43.02 39.56 1vee s PHE 69 CO 0.31 -1.33 2.02 0.87 -0.10 0.00 0.00 175.22 176.99 1vee h LYS 70 N 9.27 0.38 -2.81 0.44 1.57 -1.87 -3.34 116.57 120.22 1vee h LYS 70 Ca -0.28 -0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.87 1vee h LYS 70 Cb 1.08 -0.09 -0.40 0.00 0.08 0.00 0.00 32.23 32.91 1vee h LYS 70 CO 1.08 0.25 -0.78 0.34 -0.57 0.00 0.00 179.45 179.78 1vee s ASP 71 N -6.45 3.25 0.31 0.86 2.15 -1.26 -4.98 116.67 110.55 1vee s ASP 71 Ca -0.07 -2.83 0.05 0.00 0.43 0.00 0.00 52.55 50.12 1vee s ASP 71 Cb 0.19 -0.90 0.52 0.00 -0.30 0.00 0.00 42.92 42.43 1vee s ASP 71 CO 0.74 -0.23 1.78 1.55 -0.17 0.00 0.00 175.17 178.83 1vee h PRO 72 N 6.35 0.37 -0.20 4.34 0.13 -1.88 -3.07 132.00 138.04 1vee h PRO 72 Ca 0.08 -0.13 0.06 0.00 -0.87 0.00 0.00 66.00 65.14 1vee h PRO 72 Cb 0.90 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1vee h PRO 72 CO 0.46 0.59 0.33 1.05 -0.23 0.00 0.00 178.00 180.20 1vee h GLU 73 N 0.33 0.00 -0.00 0.86 4.11 -1.86 -0.28 114.58 117.74 1vee h GLU 73 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1vee h GLU 73 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1vee h GLU 73 CO 0.04 0.00 -0.09 0.09 0.07 0.00 0.00 179.01 179.13 1vee n ASN 74 N -3.42 0.54 -4.63 3.06 3.02 -1.21 -3.58 115.26 109.05 1vee n ASN 74 Ca 0.02 -0.77 -0.39 0.00 -0.03 0.00 0.00 54.58 53.41 1vee n ASN 74 Cb 0.45 0.64 -0.08 0.00 -0.61 0.00 0.00 39.78 40.18 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 -0.91 5.14 -0.09 3.41 2.01 -0.60 -4.69 115.64 119.92 1vee s THR 75 Ca 0.02 0.73 -0.18 0.00 0.31 0.00 0.00 61.69 62.56 1vee s THR 75 Cb 0.02 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 1vee s THR 75 CO 0.09 0.16 0.49 -0.89 -0.69 0.00 0.00 174.62 173.78 1vee s THR 76 N 1.93 5.13 -0.43 -0.82 2.01 -1.25 -3.03 115.64 119.17 1vee s THR 76 Ca 0.18 0.99 0.00 0.00 0.31 0.00 0.00 61.69 63.18 1vee s THR 76 Cb -0.15 -3.83 0.12 0.00 0.01 0.00 0.00 72.50 68.65 1vee s THR 76 CO 0.09 0.37 0.19 -0.76 -0.69 0.00 0.00 174.62 173.82 1vee s LEU 77 N 0.32 4.96 -0.18 4.42 1.02 -0.61 -1.16 118.68 127.45 1vee s LEU 77 Ca 0.27 -2.32 -0.29 0.00 0.02 0.00 0.00 54.13 51.80 1vee s LEU 77 Cb -0.16 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 1vee s LEU 77 CO 0.12 -0.42 1.29 -0.31 0.02 0.00 0.00 176.35 177.04 1vee s TYR 78 N 0.70 2.78 0.13 0.29 1.51 -0.57 -3.83 117.35 118.37 1vee s TYR 78 Ca 0.12 0.95 -0.30 0.00 -1.01 0.00 0.00 57.07 56.83 1vee s TYR 78 Cb -0.22 -3.57 -0.07 0.00 -0.11 0.00 0.00 41.96 38.00 1vee s TYR 78 CO -0.05 -1.81 1.11 0.42 -1.11 0.00 0.00 175.55 174.12 1vee s ILE 79 N 3.64 3.99 -0.10 2.71 1.09 -0.01 -0.48 121.20 132.05 1vee s ILE 79 Ca 0.56 1.61 -0.00 0.00 -1.10 0.00 0.00 60.65 61.72 1vee s ILE 79 Cb -0.22 -4.03 0.02 0.00 -1.06 0.00 0.00 42.46 37.18 1vee s ILE 79 CO 0.16 0.23 -0.08 -0.22 -0.10 0.00 0.00 174.94 174.93 1vee s LEU 80 N 0.10 1.23 0.30 2.97 0.20 -0.69 -2.77 118.68 120.02 1vee s LEU 80 Ca 0.52 -0.29 0.05 0.00 0.69 0.00 0.00 54.13 55.11 1vee s LEU 80 Cb -0.29 -0.81 -0.06 0.00 -0.43 0.00 0.00 46.19 44.60 1vee s LEU 80 CO 0.33 -0.10 -0.01 -0.62 -0.29 0.00 0.00 176.35 175.66 1vee s ASP 81 N 1.54 2.65 0.25 3.68 2.15 -1.26 -1.09 116.67 124.59 1vee s ASP 81 Ca 0.02 -1.27 -0.06 0.00 0.43 0.00 0.00 52.55 51.67 1vee s ASP 81 Cb -0.13 -0.15 0.27 0.00 -0.30 0.00 0.00 42.92 42.62 1vee s ASP 81 CO -0.06 -0.45 1.89 0.50 -0.17 0.00 0.00 175.17 176.88 1vee h LYS 82 N 2.20 1.23 0.00 4.34 3.64 -1.94 -3.12 116.57 122.91 1vee h LYS 82 Ca -0.40 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1vee h LYS 82 Cb 1.24 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1vee h LYS 82 CO 0.69 0.87 0.00 1.19 -2.27 0.00 0.00 179.45 179.93 1vee n PHE 83 N -4.35 0.00 -0.07 1.91 3.72 -1.26 -1.51 117.46 115.90 1vee n PHE 83 Ca 0.10 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.41 1vee n PHE 83 Cb 0.07 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.00 0.00 4.37 3.32 -1.87 -2.26 116.42 119.98 1vee h ASP 84 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1vee h ASP 84 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1vee h ASP 84 CO 0.00 0.86 0.00 0.61 -1.72 0.00 0.00 179.24 178.99 1vee n GLY 85 N 1.64 0.39 0.04 2.75 0.00 -1.26 -1.99 105.19 106.75 1vee n GLY 85 Ca -0.10 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 5.63 0.00 -0.34 1.61 3.02 -1.26 -4.95 115.26 118.97 1vee n ASN 86 Ca 0.00 -1.06 0.16 0.00 -0.03 0.00 0.00 54.58 53.66 1vee n ASN 86 Cb 0.00 -0.01 0.37 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.61 0.17 6.41 0.02 -1.77 0.62 113.55 119.61 1vee h SER 87 Ca 0.00 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1vee h SER 87 Cb 1.02 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1vee h SER 87 CO 0.00 0.09 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.26 1vee h GLU 88 N 0.55 0.06 0.18 3.45 5.08 -1.92 -0.77 114.58 121.21 1vee h GLU 88 Ca 0.62 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.66 1vee h GLU 88 Cb 1.18 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.43 1vee h GLU 88 CO -0.48 0.25 -1.48 1.25 -1.00 0.00 0.00 179.01 177.55 1vee h LEU 89 N 0.05 0.60 -1.53 1.33 7.12 -1.35 -3.31 115.31 118.23 1vee h LEU 89 Ca 0.01 -0.92 0.08 0.00 0.13 0.00 0.00 57.88 57.18 1vee h LEU 89 Cb 0.38 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.27 1vee h LEU 89 CO 0.03 1.68 0.42 0.58 -0.13 0.00 0.00 178.44 181.02 1vee h VAL 90 N -0.05 0.96 -0.29 1.05 2.07 -0.73 1.00 116.25 120.26 1vee h VAL 90 Ca -0.29 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1vee h VAL 90 Cb 1.98 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1vee h VAL 90 CO 0.17 0.10 0.18 0.00 0.02 0.00 0.00 177.57 178.04 1vee h ALA 91 N 1.67 1.77 0.10 1.67 0.00 -1.23 -2.27 119.26 120.97 1vee h ALA 91 Ca 0.28 -0.03 -0.27 0.00 0.00 0.00 0.00 54.91 54.89 1vee h ALA 91 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1vee h ALA 91 CO -0.09 0.20 -1.41 0.93 0.00 0.00 0.00 179.25 178.89 1vee h GLU 92 N 0.39 0.21 -0.10 0.00 5.08 -1.09 -3.32 114.58 115.76 1vee h GLU 92 Ca 0.11 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1vee h GLU 92 Cb -0.03 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1vee h GLU 92 CO -0.02 1.17 -0.47 1.25 -1.00 0.00 0.00 179.01 179.94 1vee h LEU 93 N -0.37 -1.49 -0.97 1.33 5.85 -0.57 0.15 115.31 119.24 1vee h LEU 93 Ca -0.31 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1vee h LEU 93 Cb 1.71 0.58 -0.02 0.00 0.37 0.00 0.00 40.66 43.29 1vee h LEU 93 CO 0.03 -0.43 0.11 -0.37 -0.34 0.00 0.00 178.44 177.44 1vee h VAL 94 N -0.52 1.23 0.31 1.05 -1.51 -1.64 -2.29 116.25 112.88 1vee h VAL 94 Ca 0.02 -0.87 -0.02 0.00 -1.23 0.00 0.00 66.70 64.61 1vee h VAL 94 Cb 0.60 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 1vee h VAL 94 CO -0.37 0.32 -0.15 0.00 -1.23 0.00 0.00 177.57 176.15 1vee h ALA 95 N 1.29 -0.42 0.00 5.19 0.00 -1.54 -0.33 119.26 123.46 1vee h ALA 95 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vee h ALA 95 Cb 0.34 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1vee h ALA 95 CO 0.00 -0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 178.50 1vee h LEU 96 N -0.54 0.00 0.11 0.00 4.07 -0.66 -2.52 115.31 115.76 1vee h LEU 96 Ca -0.04 0.00 -0.30 0.00 0.08 0.00 0.00 57.88 57.62 1vee h LEU 96 Cb 0.40 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1vee h LEU 96 CO 0.07 0.01 -1.53 0.78 -1.08 0.00 0.00 178.44 176.69 1vee h ASN 97 N 0.00 0.36 0.00 -0.43 2.35 -1.09 -3.49 115.58 113.28 1vee h ASN 97 Ca -0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 1vee h ASN 97 Cb 0.18 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1vee h ASN 97 CO 0.00 1.42 0.00 0.61 -1.65 0.00 0.00 177.43 177.81 1vee n GLY 98 N 1.66 0.07 3.78 2.83 0.00 -0.76 -5.10 105.19 107.67 1vee n GLY 98 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 2.78 0.09 1.61 0.40 -0.21 -3.04 117.98 119.62 1vee s PHE 99 Ca 0.00 1.54 -0.31 0.00 -0.60 0.00 0.00 56.93 57.55 1vee s PHE 99 Cb 0.00 -3.13 -0.14 0.00 0.51 0.00 0.00 43.02 40.26 1vee s PHE 99 CO 0.00 -1.40 1.61 -0.22 0.70 0.00 0.00 175.22 175.91 1vee h LYS 100 N 0.53 -0.73 -2.80 0.44 1.63 -1.00 -3.39 116.57 111.24 1vee h LYS 100 Ca -0.48 0.05 0.09 0.00 -0.85 0.00 0.00 60.65 59.46 1vee h LYS 100 Cb 1.24 0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 32.99 1vee h LYS 100 CO 0.56 -0.49 0.32 -1.12 -3.45 0.00 0.00 179.45 175.27 1vee s SER 101 N -4.56 -0.19 -0.30 4.20 0.01 -1.26 -4.99 113.70 106.61 1vee s SER 101 Ca -0.17 -0.64 -0.10 0.00 1.31 0.00 0.00 55.95 56.36 1vee s SER 101 Cb 0.06 0.67 0.16 0.00 0.21 0.00 0.00 66.02 67.12 1vee s SER 101 CO 0.63 -1.26 0.81 0.00 0.41 0.00 0.00 173.24 173.82 1vee s ALA 102 N -3.44 -2.53 -0.08 1.44 0.00 -1.26 -1.57 121.76 114.33 1vee s ALA 102 Ca 0.13 1.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.99 1vee s ALA 102 Cb -0.04 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 1vee s ALA 102 CO 0.06 -1.12 0.20 0.71 0.00 0.00 0.00 175.76 175.61 1vee s TYR 103 N 2.76 3.62 -0.36 0.00 1.51 -1.25 -4.43 117.35 119.21 1vee s TYR 103 Ca 0.03 0.60 -0.14 0.00 -1.01 0.00 0.00 57.07 56.55 1vee s TYR 103 Cb -0.11 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1vee s TYR 103 CO -0.18 0.71 0.31 0.00 -1.11 0.00 0.00 175.55 175.28 1vee s ALA 104 N -1.07 3.49 -0.68 3.71 0.00 -0.67 -0.83 121.76 125.71 1vee s ALA 104 Ca 0.18 -1.37 -0.27 0.00 0.00 0.00 0.00 51.96 50.51 1vee s ALA 104 Cb -0.13 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.22 1vee s ALA 104 CO 0.07 -1.11 1.49 0.42 0.00 0.00 0.00 175.76 176.63 1vee s ILE 105 N 1.86 3.61 0.65 0.00 1.09 -1.12 -2.17 121.20 125.12 1vee s ILE 105 Ca 0.09 0.37 -0.17 0.00 -1.10 0.00 0.00 60.65 59.83 1vee s ILE 105 Cb -0.17 -4.54 -0.01 0.00 -1.06 0.00 0.00 42.46 36.68 1vee s ILE 105 CO 0.11 -1.47 1.23 -0.75 -0.10 0.00 0.00 174.94 173.96 1vee s LYS 106 N 6.15 2.62 0.00 2.79 2.36 -1.26 -2.79 119.74 129.61 1vee s LYS 106 Ca 0.47 1.86 0.00 0.00 -2.55 0.00 0.00 55.97 55.76 1vee s LYS 106 Cb -0.10 -1.88 0.00 0.00 -1.05 0.00 0.00 37.83 34.80 1vee s LYS 106 CO 0.18 -1.49 0.00 -0.25 1.55 0.00 0.00 175.35 175.34 1vee n ASP 107 N -2.01 0.00 0.00 1.43 8.00 -1.26 -4.16 116.55 118.54 1vee n ASP 107 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1vee n ASP 107 Cb 0.49 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.00 2.90 0.07 0.44 0.00 -0.85 -1.40 105.19 104.35 1vee n GLY 108 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 8.88 1.70 0.57 4.61 0.00 -0.57 -2.50 120.51 133.20 1vee n ALA 109 Ca 0.00 -0.69 0.12 0.00 0.00 0.00 0.00 53.44 52.87 1vee n ALA 109 Cb 0.00 0.09 0.27 0.00 0.00 0.00 0.00 19.45 19.81 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 -7.23 0.00 4.39 -1.66 -3.08 114.58 107.00 1vee h GLU 110 Ca -0.32 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 58.91 1vee h GLU 110 Cb 1.60 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 30.44 1vee h GLU 110 CO -0.02 0.00 0.13 0.20 -1.16 0.00 0.00 179.01 178.16 1vee s GLY 111 N -3.67 1.59 0.50 -3.84 0.00 -0.50 -4.84 107.32 96.57 1vee s GLY 111 Ca 0.08 0.02 0.15 0.00 0.00 0.00 0.00 44.72 44.97 1vee s GLY 111 CO 0.66 0.62 2.11 -0.56 0.00 0.00 0.00 173.10 175.93 1vee h PRO 112 N -2.16 0.05 -0.32 2.90 0.13 -1.91 -0.97 132.00 129.73 1vee h PRO 112 Ca -0.54 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1vee h PRO 112 Cb 1.31 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1vee h PRO 112 CO 0.50 0.07 0.00 -2.13 -0.23 0.00 0.00 178.00 176.21 1vee n ARG 113 N -4.50 2.93 -1.40 0.86 3.00 -1.26 -4.72 116.66 111.57 1vee n ARG 113 Ca -0.02 -2.40 -0.29 0.00 -0.00 0.00 0.00 57.85 55.14 1vee n ARG 113 Cb 0.11 -1.52 0.16 0.00 0.00 0.00 0.00 32.46 31.21 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 -1.38 1.58 0.15 5.14 0.00 -0.37 -3.94 107.32 108.49 1vee s GLY 114 Ca 0.32 -0.54 -0.30 0.00 0.00 0.00 0.00 44.72 44.20 1vee s GLY 114 CO 0.13 0.07 1.56 -0.25 0.00 0.00 0.00 173.10 174.61 1vee h TRP 115 N -1.72 -1.56 -0.83 1.90 2.91 -1.51 -0.99 115.95 114.15 1vee h TRP 115 Ca -0.51 0.08 0.01 0.00 1.13 0.00 0.00 58.89 59.60 1vee h TRP 115 Cb 1.33 0.75 -0.04 0.00 -0.51 0.00 0.00 29.16 30.68 1vee h TRP 115 CO 0.06 -0.46 0.55 -0.07 -1.03 0.00 0.00 178.44 177.50 1vee h LEU 116 N -0.31 0.95 -2.13 0.65 3.38 -1.85 -1.73 115.31 114.27 1vee h LEU 116 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1vee h LEU 116 Cb 0.57 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1vee h LEU 116 CO -0.65 0.69 0.00 0.59 0.09 0.00 0.00 178.44 179.16 1vee n ASN 117 N -4.41 3.11 -0.02 -0.43 3.02 -0.63 -3.93 115.26 111.96 1vee n ASN 117 Ca 0.09 -2.41 0.02 0.00 -0.03 0.00 0.00 54.58 52.25 1vee n ASN 117 Cb 0.03 -0.58 0.03 0.00 -0.61 0.00 0.00 39.78 38.65 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 0.28 1.93 -3.47 6.41 7.64 -0.47 -4.59 113.62 121.35 1vee n SER 118 Ca 0.12 -2.17 -0.20 0.00 1.01 0.00 0.00 58.87 57.64 1vee n SER 118 Cb 0.67 -0.09 0.06 0.00 -1.01 0.00 0.00 64.21 63.84 1vee n SER 118 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1vee n SER 119 N -0.66 -4.25 -4.36 6.43 7.64 -1.25 -4.90 113.62 112.27 1vee n SER 119 Ca 0.03 -0.78 -0.27 0.00 1.01 0.00 0.00 58.87 58.86 1vee n SER 119 Cb 0.35 -4.57 -0.13 0.00 -1.01 0.00 0.00 64.21 58.86 1vee n SER 119 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1vee s LEU 120 N -6.08 2.34 0.74 -3.43 1.43 -1.24 -5.12 118.68 107.31 1vee s LEU 120 Ca 0.27 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 1vee s LEU 120 Cb -0.06 -1.09 0.04 0.00 0.03 0.00 0.00 46.19 45.11 1vee s LEU 120 CO 0.78 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 176.41 1vee s PRO 121 N -2.15 2.44 -0.29 1.29 0.04 -1.26 -4.80 135.00 130.27 1vee s PRO 121 Ca 0.13 1.20 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 1vee s PRO 121 Cb -0.09 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.66 1vee s PRO 121 CO 0.06 -1.51 0.95 -0.46 0.04 0.00 0.00 177.00 176.09 1vee s TRP 122 N -2.79 -0.61 -0.89 0.56 -0.11 -1.26 -4.38 118.94 109.45 1vee s TRP 122 Ca 0.62 1.27 -0.25 0.00 1.22 0.00 0.00 56.10 58.97 1vee s TRP 122 Cb -0.18 0.38 -0.03 0.00 -1.50 0.00 0.00 33.47 32.14 1vee s TRP 122 CO 0.53 -0.30 1.88 0.42 -4.62 0.00 0.00 176.95 174.85 1vee s ILE 123 N 1.13 3.50 0.38 5.86 1.01 0.00 -4.92 121.20 128.17 1vee s ILE 123 Ca -0.07 -0.37 -0.16 0.00 0.00 0.00 0.00 60.65 60.05 1vee s ILE 123 Cb -0.04 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 38.20 1vee s ILE 123 CO -0.14 -1.07 0.82 -1.61 0.00 0.00 0.00 174.94 172.95 1vee s GLU 124 N 6.76 4.03 0.00 2.79 2.02 -1.26 -1.84 118.70 131.20 1vee s GLU 124 Ca 0.67 0.80 0.00 0.00 0.02 0.00 0.00 54.97 56.46 1vee s GLU 124 Cb -0.06 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.84 1vee s GLU 124 CO -0.00 0.04 0.00 -0.35 0.02 0.00 0.00 175.26 174.97 1vee n PRO 125 N -0.68 1.13 -3.91 0.39 -0.04 -1.26 -4.96 135.00 125.67 1vee n PRO 125 Ca 0.05 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.20 1vee n PRO 125 Cb 0.54 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.85 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 0.00 1.31 0.13 0.54 -0.14 -1.26 -5.07 119.74 115.25 1vee s LYS 126 Ca 0.00 -1.76 0.05 0.00 -1.36 0.00 0.00 55.97 52.90 1vee s LYS 126 Cb 0.00 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 33.29 1vee s LYS 126 CO 0.00 -0.99 -0.12 0.21 -0.76 0.00 0.00 175.35 173.69 1vee s LYS 127 N 0.91 1.01 -0.60 1.68 2.47 -1.26 -5.09 119.74 118.87 1vee s LYS 127 Ca 0.12 -1.31 0.06 0.00 -1.56 0.00 0.00 55.97 53.28 1vee s LYS 127 Cb -0.20 -0.75 0.29 0.00 -1.46 0.00 0.00 37.83 35.72 1vee s LYS 127 CO -0.11 0.12 0.82 0.25 0.16 0.00 0.00 175.35 176.59 1vee n THR 128 N 0.26 2.45 -1.29 3.43 -2.24 -1.26 -5.08 114.28 110.54 1vee n THR 128 Ca -0.13 -5.30 -0.29 0.00 -2.27 0.00 0.00 64.05 56.05 1vee n THR 128 Cb 0.58 -1.75 0.17 0.00 -2.10 0.00 0.00 70.33 67.24 1vee n THR 128 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vee s SER 129 N -2.83 2.63 0.00 3.42 0.15 -1.26 -5.09 113.70 110.72 1vee s SER 129 Ca 0.43 1.00 0.00 0.00 0.70 0.00 0.00 55.95 58.08 1vee s SER 129 Cb 0.21 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 1vee s SER 129 CO -0.07 -3.10 0.00 0.61 1.20 0.00 0.00 173.24 171.88 1vee n GLY 130 N -1.50 4.33 3.70 9.45 0.00 -1.26 -5.16 105.19 114.75 1vee n GLY 130 Ca 0.07 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 1.30 1.19 0.49 1.61 0.04 -1.26 -5.08 135.00 133.29 1vee s PRO 131 Ca 0.00 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.06 1vee s PRO 131 Cb 0.00 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 1vee s PRO 131 CO 0.00 -2.33 0.04 -1.12 0.04 0.00 0.00 177.00 173.62 1vee s SER 132 N -3.21 3.79 -0.27 6.66 0.01 -1.26 -5.14 113.70 114.27 1vee s SER 132 Ca 0.64 -1.68 -0.03 0.00 1.31 0.00 0.00 55.95 56.19 1vee s SER 132 Cb -0.19 0.57 0.10 0.00 0.21 0.00 0.00 66.02 66.71 1vee s SER 132 CO 0.58 -0.90 0.17 -0.94 0.41 0.00 0.00 173.24 172.56 1vee s SER 133 N -3.81 2.81 0.00 2.44 1.04 -1.26 -5.36 113.70 109.55 1vee s SER 133 Ca 0.09 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.50 1vee s SER 133 Cb 0.01 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1vee s SER 133 CO 0.06 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.47