#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aig s LEU 3 N 0.00 4.33 0.68 1.20 1.43 -1.26 -5.08 118.68 119.98 3aig s LEU 3 Ca 0.00 -0.62 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 3aig s LEU 3 Cb 0.00 -2.03 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3aig s LEU 3 CO 0.00 -0.25 1.08 -2.16 0.23 0.00 0.00 176.35 175.25 3aig s PRO 4 N 1.62 2.84 -0.03 1.29 0.04 -1.26 -4.82 135.00 134.68 3aig s PRO 4 Ca 0.04 1.15 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 3aig s PRO 4 Cb -0.18 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3aig s PRO 4 CO 0.07 -1.19 1.49 -1.14 0.04 0.00 0.00 177.00 176.27 3aig s GLN 5 N -4.59 4.23 0.24 4.56 2.00 -1.26 -4.75 119.66 120.10 3aig s GLN 5 Ca 0.62 2.04 0.08 0.00 -2.00 0.00 0.00 55.36 56.10 3aig s GLN 5 Cb -0.16 -3.73 -0.05 0.00 0.80 0.00 0.00 33.01 29.87 3aig s GLN 5 CO 0.48 -0.69 -0.13 1.03 -0.50 0.00 0.00 175.29 175.47 3aig s ARG 6 N 3.07 1.46 -0.06 1.67 1.81 0.71 -4.97 118.95 122.65 3aig s ARG 6 Ca 0.67 -1.68 -0.01 0.00 -1.72 0.00 0.00 55.73 52.99 3aig s ARG 6 Cb -0.32 -1.27 0.03 0.00 -0.45 0.00 0.00 34.95 32.94 3aig s ARG 6 CO 0.26 0.18 0.01 0.71 -0.68 0.00 0.00 175.30 175.78 3aig s TYR 7 N -2.88 0.49 -0.27 -0.53 1.51 -0.99 -0.70 117.35 113.97 3aig s TYR 7 Ca 0.26 -0.05 -0.10 0.00 -1.01 0.00 0.00 57.07 56.16 3aig s TYR 7 Cb -0.00 -0.66 -0.04 0.00 -0.11 0.00 0.00 41.96 41.14 3aig s TYR 7 CO 0.10 -0.26 0.16 0.42 -1.11 0.00 0.00 175.55 174.86 3aig s ILE 8 N 1.78 5.07 -0.65 2.71 1.01 0.50 -4.57 121.20 127.06 3aig s ILE 8 Ca 0.01 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.56 3aig s ILE 8 Cb -0.13 -3.40 0.11 0.00 0.01 0.00 0.00 42.46 39.05 3aig s ILE 8 CO -0.04 0.28 0.79 -1.61 0.00 0.00 0.00 174.94 174.36 3aig s GLU 9 N 1.68 3.14 -0.04 2.79 2.02 -1.26 -1.44 118.70 125.58 3aig s GLU 9 Ca 0.07 -1.36 -0.10 0.00 0.02 0.00 0.00 54.97 53.60 3aig s GLU 9 Cb -0.16 -4.33 -0.05 0.00 0.10 0.00 0.00 34.13 29.69 3aig s GLU 9 CO 0.09 -1.60 0.28 -1.17 0.02 0.00 0.00 175.26 172.88 3aig s LEU 10 N 2.76 4.42 -0.10 1.80 2.96 -0.14 -0.19 118.68 130.18 3aig s LEU 10 Ca 0.16 0.69 0.03 0.00 -0.22 0.00 0.00 54.13 54.79 3aig s LEU 10 Cb -0.20 -2.42 0.00 0.00 0.50 0.00 0.00 46.19 44.07 3aig s LEU 10 CO 0.04 0.34 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.51 3aig s VAL 11 N -1.11 1.91 0.01 1.68 1.01 -0.64 -0.16 120.40 123.10 3aig s VAL 11 Ca 0.21 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3aig s VAL 11 Cb -0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3aig s VAL 11 CO 0.10 0.53 -0.09 -0.69 0.00 0.00 0.00 175.10 174.95 3aig s VAL 12 N 0.49 3.46 -0.10 2.92 1.01 -0.78 -1.33 120.40 126.07 3aig s VAL 12 Ca -0.16 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3aig s VAL 12 Cb -0.17 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.74 3aig s VAL 12 CO 0.06 0.40 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 3aig s VAL 13 N -0.96 1.05 -0.19 2.92 1.01 -0.18 -0.38 120.40 123.67 3aig s VAL 13 Ca 0.16 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 3aig s VAL 13 Cb -0.11 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3aig s VAL 13 CO 0.07 0.36 0.06 0.00 0.00 0.00 0.00 175.10 175.59 3aig s ALA 14 N 1.35 3.36 0.90 5.51 0.00 0.84 0.61 121.76 134.32 3aig s ALA 14 Ca -0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 3aig s ALA 14 Cb -0.14 -1.95 0.18 0.00 0.00 0.00 0.00 23.12 21.22 3aig s ALA 14 CO -0.04 0.06 1.23 0.16 0.00 0.00 0.00 175.76 177.17 3aig s ASP 15 N 0.59 3.44 0.35 0.00 -4.77 -1.01 -0.73 116.67 114.55 3aig s ASP 15 Ca 0.03 0.06 0.04 0.00 -3.30 0.00 0.00 52.55 49.38 3aig s ASP 15 Cb -0.13 -0.19 0.68 0.00 -1.09 0.00 0.00 42.92 42.19 3aig s ASP 15 CO 0.01 -2.50 1.97 0.03 0.70 0.00 0.00 175.17 175.38 3aig h ARG 16 N -1.33 0.81 -0.80 2.11 3.08 -1.89 -1.46 114.38 114.91 3aig h ARG 16 Ca -0.42 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.62 3aig h ARG 16 Cb 1.24 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 3aig h ARG 16 CO 0.38 0.53 0.52 0.00 -1.07 0.00 0.00 179.97 180.34 3aig h ARG 17 N 0.83 0.95 -0.10 0.04 3.08 -1.94 0.41 114.38 117.65 3aig h ARG 17 Ca 0.30 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.11 3aig h ARG 17 Cb 0.13 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3aig h ARG 17 CO -0.09 0.63 -0.69 0.28 -1.07 0.00 0.00 179.97 179.03 3aig h VAL 18 N 0.98 1.36 -0.11 2.04 2.07 -1.62 -0.42 116.25 120.55 3aig h VAL 18 Ca 0.32 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 3aig h VAL 18 Cb 0.04 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3aig h VAL 18 CO -0.09 0.62 0.05 0.15 0.02 0.00 0.00 177.57 178.32 3aig h PHE 19 N 0.32 0.17 -0.25 1.57 3.57 -0.10 -1.80 116.94 120.41 3aig h PHE 19 Ca -0.02 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 3aig h PHE 19 Cb 1.26 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3aig h PHE 19 CO 0.05 0.25 0.05 0.52 -2.23 0.00 0.00 178.31 176.94 3aig h MET 20 N 0.04 0.42 -0.94 1.11 2.86 -0.26 0.40 114.93 118.57 3aig h MET 20 Ca 0.04 -0.11 0.19 0.00 -2.06 0.00 0.00 59.70 57.76 3aig h MET 20 Cb 0.15 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 31.65 3aig h MET 20 CO -0.00 0.54 0.51 -0.22 1.06 0.00 0.00 176.91 178.79 3aig h LYS 21 N 0.23 0.60 -1.04 1.72 3.64 -0.87 -0.02 116.57 120.83 3aig h LYS 21 Ca 0.08 -0.04 -0.36 0.00 -1.27 0.00 0.00 60.65 59.07 3aig h LYS 21 Cb 0.32 -0.13 -0.20 0.00 -0.41 0.00 0.00 32.23 31.80 3aig h LYS 21 CO 0.00 0.39 0.45 0.66 -2.27 0.00 0.00 179.45 178.69 3aig n TYR 22 N -4.88 2.05 -2.34 1.91 4.01 -0.70 -4.85 117.16 112.37 3aig n TYR 22 Ca 0.22 -1.50 -0.20 0.00 -0.16 0.00 0.00 57.90 56.26 3aig n TYR 22 Cb 0.58 -0.76 -0.01 0.00 -0.31 0.00 0.00 39.34 38.84 3aig n TYR 22 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3aig n ASN 23 N -0.54 -5.71 -3.47 7.72 4.05 -0.02 -2.14 115.26 115.15 3aig n ASN 23 Ca 0.40 0.01 -0.25 0.00 0.45 0.00 0.00 54.58 55.19 3aig n ASN 23 Cb 1.21 -4.74 0.05 0.00 1.23 0.00 0.00 39.78 37.52 3aig n ASN 23 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 3aig n SER 24 N -1.80 -5.78 -4.29 1.20 7.64 0.14 -4.95 113.62 105.78 3aig n SER 24 Ca -0.24 -0.50 -0.40 0.00 1.01 0.00 0.00 58.87 58.75 3aig n SER 24 Cb 0.68 -4.61 -0.11 0.00 -1.01 0.00 0.00 64.21 59.16 3aig n SER 24 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3aig s ASP 25 N -3.07 5.60 0.13 6.43 -1.08 -0.91 -4.97 116.67 118.80 3aig s ASP 25 Ca 0.50 -1.33 -0.17 0.00 -0.52 0.00 0.00 52.55 51.03 3aig s ASP 25 Cb -0.23 -1.97 -0.03 0.00 -1.46 0.00 0.00 42.92 39.22 3aig s ASP 25 CO 0.62 -0.47 1.72 -0.07 0.52 0.00 0.00 175.17 177.49 3aig h LEU 26 N 8.38 0.41 -0.93 -1.34 3.38 -1.92 -2.63 115.31 120.65 3aig h LEU 26 Ca -0.23 -0.10 0.11 0.00 0.09 0.00 0.00 57.88 57.74 3aig h LEU 26 Cb 1.09 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 3aig h LEU 26 CO 0.71 0.40 0.57 0.78 0.09 0.00 0.00 178.44 180.98 3aig h ASN 27 N 0.40 0.83 -0.36 -0.43 4.21 -1.98 0.12 115.58 118.36 3aig h ASN 27 Ca 0.11 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 3aig h ASN 27 Cb 0.08 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 3aig h ASN 27 CO -0.02 0.46 0.12 0.40 -1.29 0.00 0.00 177.43 177.10 3aig h ILE 28 N 0.92 1.21 -0.26 2.81 1.08 -1.86 -1.95 117.51 119.47 3aig h ILE 28 Ca 0.45 -0.68 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 3aig h ILE 28 Cb 0.41 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 3aig h ILE 28 CO -0.25 0.24 0.02 0.40 -0.69 0.00 0.00 178.15 177.86 3aig h ILE 29 N 0.44 1.25 -0.67 -0.67 2.04 -1.01 -2.50 117.51 116.38 3aig h ILE 29 Ca 0.12 -0.86 0.07 0.00 1.00 0.00 0.00 64.86 65.19 3aig h ILE 29 Cb 0.25 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 3aig h ILE 29 CO -0.00 0.27 0.37 0.03 0.00 0.00 0.00 178.15 178.81 3aig h ARG 30 N 0.24 0.65 -0.26 2.37 3.08 -0.72 -0.98 114.38 118.76 3aig h ARG 30 Ca 0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3aig h ARG 30 Cb 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3aig h ARG 30 CO 0.01 0.43 0.13 1.15 -1.07 0.00 0.00 179.97 180.62 3aig h THR 31 N 0.67 1.14 -0.21 2.04 2.02 -1.31 -1.09 112.91 116.17 3aig h THR 31 Ca 0.31 -0.38 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3aig h THR 31 Cb 0.22 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 3aig h THR 31 CO -0.20 0.14 0.12 -0.09 0.37 0.00 0.00 175.52 175.85 3aig h ARG 32 N 0.29 0.24 -0.71 6.66 2.43 -0.96 0.28 114.38 122.61 3aig h ARG 32 Ca 0.09 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3aig h ARG 32 Cb 0.10 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 3aig h ARG 32 CO -0.01 0.16 0.30 0.28 -1.51 0.00 0.00 179.97 179.18 3aig h VAL 33 N 0.24 1.24 -0.28 0.20 2.07 -1.12 0.34 116.25 118.95 3aig h VAL 33 Ca 0.08 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3aig h VAL 33 Cb -0.00 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3aig h VAL 33 CO -0.04 0.30 -0.06 0.45 0.02 0.00 0.00 177.57 178.25 3aig h HIS 34 N 1.01 0.45 -0.32 1.57 3.86 -0.70 -0.44 115.15 120.58 3aig h HIS 34 Ca 0.24 -0.05 -0.15 0.00 -1.16 0.00 0.00 60.37 59.25 3aig h HIS 34 Cb 0.19 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3aig h HIS 34 CO 0.01 0.49 -0.39 0.93 0.86 0.00 0.00 177.93 179.84 3aig h GLU 35 N 0.41 0.84 -0.15 2.45 5.08 -0.32 -2.92 114.58 119.98 3aig h GLU 35 Ca 0.09 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3aig h GLU 35 Cb 0.36 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3aig h GLU 35 CO 0.02 1.11 0.09 0.82 -1.00 0.00 0.00 179.01 180.04 3aig h ILE 36 N 0.62 1.07 -0.84 3.13 2.04 -0.30 -2.51 117.51 120.72 3aig h ILE 36 Ca 0.04 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.83 3aig h ILE 36 Cb 0.98 0.91 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 3aig h ILE 36 CO 0.09 0.06 0.50 0.58 0.00 0.00 0.00 178.15 179.38 3aig h VAL 37 N 0.17 0.94 0.03 1.67 2.07 -1.13 -0.46 116.25 119.55 3aig h VAL 37 Ca 0.05 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.31 3aig h VAL 37 Cb 0.02 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 3aig h VAL 37 CO -0.01 0.15 -0.20 0.78 0.02 0.00 0.00 177.57 178.31 3aig h ASN 38 N 0.84 -0.58 -0.90 0.57 2.35 -1.27 -0.92 115.58 115.68 3aig h ASN 38 Ca 0.40 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 56.25 3aig h ASN 38 Cb 0.33 0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.88 3aig h ASN 38 CO -0.23 -0.27 0.59 0.40 -1.65 0.00 0.00 177.43 176.27 3aig h ILE 39 N -0.34 1.18 -0.21 2.81 2.04 -0.95 -0.66 117.51 121.37 3aig h ILE 39 Ca 0.05 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3aig h ILE 39 Cb 0.40 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3aig h ILE 39 CO -0.16 0.21 0.06 0.40 0.00 0.00 0.00 178.15 178.66 3aig h ILE 40 N 1.15 1.10 -0.15 -0.67 2.04 -0.38 -1.52 117.51 119.09 3aig h ILE 40 Ca 0.35 -0.35 -0.20 0.00 1.00 0.00 0.00 64.86 65.66 3aig h ILE 40 Cb -0.03 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3aig h ILE 40 CO -0.10 0.13 -0.70 0.78 0.00 0.00 0.00 178.15 178.26 3aig h ASN 41 N 0.30 0.74 -0.90 1.72 2.35 0.20 -2.14 115.58 117.86 3aig h ASN 41 Ca 0.07 -0.46 0.05 0.00 -0.55 0.00 0.00 56.30 55.42 3aig h ASN 41 Cb 0.11 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.21 3aig h ASN 41 CO -0.00 1.23 0.59 -0.33 -1.65 0.00 0.00 177.43 177.26 3aig h GLU 42 N 0.45 1.03 -0.19 0.81 5.08 -0.46 0.95 114.58 122.26 3aig h GLU 42 Ca -0.03 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3aig h GLU 42 Cb 1.30 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3aig h GLU 42 CO 0.14 0.68 -0.30 0.74 -1.00 0.00 0.00 179.01 179.27 3aig h PHE 43 N 1.07 0.66 0.00 4.33 0.04 -1.31 -3.28 116.94 118.44 3aig h PHE 43 Ca 0.37 -0.23 0.00 0.00 2.80 0.00 0.00 57.97 60.92 3aig h PHE 43 Cb 0.12 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3aig h PHE 43 CO -0.00 0.94 -0.09 0.66 -0.60 0.00 0.00 178.31 179.22 3aig n TYR 44 N -4.36 0.17 -0.22 -0.55 4.01 -0.81 -3.91 117.16 111.49 3aig n TYR 44 Ca -0.06 0.05 0.21 0.00 -0.16 0.00 0.00 57.90 57.94 3aig n TYR 44 Cb 0.47 -0.54 0.56 0.00 -0.31 0.00 0.00 39.34 39.52 3aig n TYR 44 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3aig h ARG 45 N 0.00 0.30 0.00 -0.72 2.43 -0.88 0.13 114.38 115.65 3aig h ARG 45 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3aig h ARG 45 Cb 0.55 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3aig h ARG 45 CO 0.00 0.20 0.00 -1.13 -1.51 0.00 0.00 179.97 177.53 3aig n SER 46 N -4.46 0.00 -0.32 -3.80 3.41 -1.25 -2.59 113.62 104.60 3aig n SER 46 Ca 0.19 -0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.82 3aig n SER 46 Cb 0.74 -0.30 0.07 0.00 -0.26 0.00 0.00 64.21 64.47 3aig n SER 46 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3aig n LEU 47 N -1.30 2.31 -1.71 1.04 4.32 0.44 -4.97 117.00 117.13 3aig n LEU 47 Ca 0.10 -1.82 -0.17 0.00 -0.02 0.00 0.00 56.01 54.11 3aig n LEU 47 Cb 0.18 -0.10 -0.03 0.00 -1.62 0.00 0.00 43.42 41.86 3aig n LEU 47 CO 0.17 0.57 -0.20 0.59 -1.22 0.00 0.00 177.39 177.30 3aig n ASN 48 N 0.09 -4.97 -4.66 -1.43 4.13 -1.07 -4.76 115.26 102.60 3aig n ASN 48 Ca 0.06 0.12 -0.35 0.00 1.68 0.00 0.00 54.58 56.09 3aig n ASN 48 Cb 0.31 -4.03 -0.09 0.00 -1.54 0.00 0.00 39.78 34.43 3aig n ASN 48 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3aig s ILE 49 N -2.77 5.10 -0.18 2.41 1.01 -1.13 -0.21 121.20 125.43 3aig s ILE 49 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 3aig s ILE 49 Cb 0.00 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 3aig s ILE 49 CO 0.00 0.42 0.02 -0.60 0.00 0.00 0.00 174.94 174.77 3aig s ARG 50 N 0.63 3.77 -0.19 2.79 3.00 0.12 -4.20 118.95 124.87 3aig s ARG 50 Ca 0.06 -0.45 -0.08 0.00 -1.00 0.00 0.00 55.73 54.26 3aig s ARG 50 Cb -0.12 -3.10 -0.04 0.00 0.00 0.00 0.00 34.95 31.69 3aig s ARG 50 CO 0.01 0.17 0.07 0.08 0.00 0.00 0.00 175.30 175.63 3aig s VAL 51 N 0.61 4.82 -0.03 7.11 1.01 -1.26 -0.37 120.40 132.29 3aig s VAL 51 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.02 3aig s VAL 51 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3aig s VAL 51 CO 0.02 0.45 -0.20 -0.44 0.00 0.00 0.00 175.10 174.93 3aig s SER 52 N 0.46 2.39 -0.81 3.32 0.01 -0.52 -4.96 113.70 113.59 3aig s SER 52 Ca 0.04 -0.38 -0.22 0.00 1.31 0.00 0.00 55.95 56.69 3aig s SER 52 Cb -0.12 -0.47 0.08 0.00 0.21 0.00 0.00 66.02 65.72 3aig s SER 52 CO 0.00 0.21 1.13 -0.22 0.41 0.00 0.00 173.24 174.77 3aig s LEU 53 N -0.24 4.31 0.16 2.44 2.96 -1.26 -0.96 118.68 126.09 3aig s LEU 53 Ca 0.02 -1.32 -0.11 0.00 -0.22 0.00 0.00 54.13 52.50 3aig s LEU 53 Cb -0.10 -2.45 0.04 0.00 0.50 0.00 0.00 46.19 44.18 3aig s LEU 53 CO 0.01 -1.38 1.63 0.74 -1.32 0.00 0.00 176.35 176.02 3aig h THR 54 N 6.06 1.26 -1.85 3.68 2.02 -0.88 -3.47 112.91 119.74 3aig h THR 54 Ca -0.08 -1.08 0.02 0.00 0.77 0.00 0.00 66.41 66.04 3aig h THR 54 Cb 1.04 0.87 -0.20 0.00 -1.74 0.00 0.00 68.15 68.12 3aig h THR 54 CO 1.21 0.39 0.37 -0.62 0.37 0.00 0.00 175.52 177.24 3aig s ASP 55 N -6.42 -0.51 -0.12 4.18 2.15 -1.21 -5.03 116.67 109.71 3aig s ASP 55 Ca -0.12 0.51 0.01 0.00 0.43 0.00 0.00 52.55 53.37 3aig s ASP 55 Cb 0.12 0.42 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 3aig s ASP 55 CO 0.83 -0.50 -0.13 -0.22 -0.17 0.00 0.00 175.17 174.99 3aig s LEU 56 N -1.28 1.56 -0.13 -1.34 2.96 -1.26 -1.86 118.68 117.32 3aig s LEU 56 Ca -0.05 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 3aig s LEU 56 Cb -0.00 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 3aig s LEU 56 CO 0.04 -0.05 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.40 3aig s GLU 57 N 1.36 3.41 -0.20 1.98 0.41 0.49 -4.98 118.70 121.17 3aig s GLU 57 Ca 0.01 -0.45 0.01 0.00 -0.41 0.00 0.00 54.97 54.12 3aig s GLU 57 Cb -0.13 -2.89 0.05 0.00 -1.78 0.00 0.00 34.13 29.37 3aig s GLU 57 CO -0.07 0.44 -0.09 0.42 -0.49 0.00 0.00 175.26 175.48 3aig s ILE 58 N -0.17 1.58 -1.14 -1.63 1.01 -1.26 -0.11 121.20 119.47 3aig s ILE 58 Ca 0.04 -1.02 -0.20 0.00 0.00 0.00 0.00 60.65 59.47 3aig s ILE 58 Cb -0.13 -1.70 0.07 0.00 0.01 0.00 0.00 42.46 40.71 3aig s ILE 58 CO 0.02 0.11 1.55 0.26 0.00 0.00 0.00 174.94 176.88 3aig s TRP 59 N 1.41 2.70 -0.02 3.97 0.51 0.09 -4.74 118.94 122.87 3aig s TRP 59 Ca -0.02 -1.24 -0.20 0.00 -2.12 0.00 0.00 56.10 52.53 3aig s TRP 59 Cb -0.17 -4.69 -0.33 0.00 -0.81 0.00 0.00 33.47 27.47 3aig s TRP 59 CO -0.08 -1.84 0.93 0.77 -0.51 0.00 0.00 176.95 176.22 3aig h SER 60 N 8.75 0.62 0.00 2.95 0.02 -1.91 -3.06 113.55 120.92 3aig h SER 60 Ca 0.30 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.31 3aig h SER 60 Cb 0.95 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.29 3aig h SER 60 CO 1.42 1.52 0.00 0.61 -1.14 0.00 0.00 176.83 179.24 3aig n GLY 61 N 1.69 -1.11 3.28 -3.77 0.00 -1.26 -4.99 105.19 99.03 3aig n GLY 61 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 3aig n GLY 61 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3aig s GLN 62 N -1.57 0.99 0.38 1.61 -2.07 -1.26 -5.05 119.66 112.68 3aig s GLN 62 Ca 0.00 -0.86 -0.25 0.00 -1.82 0.00 0.00 55.36 52.44 3aig s GLN 62 Cb 0.00 0.41 -0.09 0.00 -1.09 0.00 0.00 33.01 32.24 3aig s GLN 62 CO 0.00 -0.36 1.04 -0.51 -1.32 0.00 0.00 175.29 174.14 3aig s ASP 63 N -2.84 6.87 0.00 12.60 1.01 -1.26 -4.82 116.67 128.23 3aig s ASP 63 Ca 0.05 2.02 0.20 0.00 0.71 0.00 0.00 52.55 55.53 3aig s ASP 63 Cb 0.03 -2.59 0.56 0.00 1.01 0.00 0.00 42.92 41.94 3aig s ASP 63 CO -0.10 -0.41 1.47 0.49 0.21 0.00 0.00 175.17 176.82 3aig n PHE 64 N 0.08 0.83 -3.83 4.23 3.72 -1.26 -4.83 117.46 116.40 3aig n PHE 64 Ca 0.04 -0.41 -0.11 0.00 -0.05 0.00 0.00 57.45 56.91 3aig n PHE 64 Cb 0.49 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.95 3aig n PHE 64 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3aig s ILE 65 N -1.17 0.09 -0.42 4.37 -4.36 -1.26 -5.04 121.20 113.41 3aig s ILE 65 Ca 0.42 -0.71 -0.26 0.00 -0.26 0.00 0.00 60.65 59.85 3aig s ILE 65 Cb 0.22 -0.68 0.02 0.00 1.25 0.00 0.00 42.46 43.27 3aig s ILE 65 CO 0.29 -0.39 0.94 -0.89 0.24 0.00 0.00 174.94 175.13 3aig s THR 66 N -1.86 4.51 -0.04 8.37 2.01 -1.26 -5.00 115.64 122.37 3aig s THR 66 Ca -0.10 0.97 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 3aig s THR 66 Cb -0.04 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 3aig s THR 66 CO 0.00 -0.71 1.33 -0.63 -0.69 0.00 0.00 174.62 173.92 3aig s ILE 67 N 3.67 3.95 0.35 1.82 -1.09 -1.26 -4.79 121.20 123.85 3aig s ILE 67 Ca 0.38 1.29 0.09 0.00 -2.23 0.00 0.00 60.65 60.18 3aig s ILE 67 Cb -0.11 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.88 3aig s ILE 67 CO 0.23 -0.02 -0.08 -1.10 -1.23 0.00 0.00 174.94 172.75 3aig s GLN 68 N 2.53 1.83 0.19 2.79 -0.21 -1.26 -5.03 119.66 120.50 3aig s GLN 68 Ca 0.61 -1.96 -0.00 0.00 0.02 0.00 0.00 55.36 54.03 3aig s GLN 68 Cb -0.28 -1.66 0.10 0.00 1.00 0.00 0.00 33.01 32.17 3aig s GLN 68 CO 0.24 0.10 1.47 0.66 -2.12 0.00 0.00 175.29 175.64 3aig h SER 69 N 2.00 0.44 -1.41 5.90 4.64 -1.95 -3.39 113.55 119.77 3aig h SER 69 Ca -0.42 -0.28 -0.41 0.00 -0.47 0.00 0.00 61.79 60.21 3aig h SER 69 Cb 1.25 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 3aig h SER 69 CO 0.72 1.00 1.08 -0.55 -0.87 0.00 0.00 176.83 178.20 3aig s SER 70 N -6.95 5.28 0.55 4.97 0.15 -1.26 -1.31 113.70 115.13 3aig s SER 70 Ca -0.05 -0.19 0.29 0.00 0.70 0.00 0.00 55.95 56.70 3aig s SER 70 Cb 0.11 -2.54 1.46 0.00 -1.71 0.00 0.00 66.02 63.33 3aig s SER 70 CO 0.83 -2.50 1.93 0.77 1.20 0.00 0.00 173.24 175.47 3aig h SER 71 N 13.03 0.00 -0.02 5.45 4.64 -1.87 -1.49 113.55 133.28 3aig h SER 71 Ca -0.09 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.04 3aig h SER 71 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3aig h SER 71 CO 1.22 0.00 -0.69 0.77 -0.87 0.00 0.00 176.83 177.27 3aig h SER 72 N 0.00 0.76 -0.33 4.97 4.64 -1.95 -2.21 113.55 119.43 3aig h SER 72 Ca 0.32 -0.47 -0.07 0.00 -0.47 0.00 0.00 61.79 61.10 3aig h SER 72 Cb 1.36 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3aig h SER 72 CO -0.00 1.23 -0.08 0.78 -0.87 0.00 0.00 176.83 177.89 3aig h ASN 73 N 0.47 0.63 -0.81 4.97 4.21 -1.69 -1.13 115.58 122.23 3aig h ASN 73 Ca -0.02 -0.36 0.05 0.00 1.21 0.00 0.00 56.30 57.17 3aig h ASN 73 Cb 1.28 -0.17 -0.05 0.00 -1.12 0.00 0.00 38.32 38.25 3aig h ASN 73 CO 0.13 0.85 0.50 0.74 -1.29 0.00 0.00 177.43 178.37 3aig h THR 74 N 0.41 1.07 -0.37 2.81 2.02 -1.43 0.99 112.91 118.41 3aig h THR 74 Ca 0.08 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 3aig h THR 74 Cb 0.57 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3aig h THR 74 CO 0.03 0.17 0.08 0.25 0.37 0.00 0.00 175.52 176.43 3aig h LEU 75 N 0.95 0.56 -0.13 2.58 5.85 -1.16 0.70 115.31 124.66 3aig h LEU 75 Ca 0.34 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3aig h LEU 75 Cb 0.10 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3aig h LEU 75 CO -0.15 0.66 0.08 -1.13 -0.34 0.00 0.00 178.44 177.57 3aig h ASN 76 N 0.45 0.15 -0.65 1.25 -0.00 -0.62 0.14 115.58 116.30 3aig h ASN 76 Ca 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.40 3aig h ASN 76 Cb 0.32 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.57 3aig h ASN 76 CO 0.00 0.12 0.42 0.28 -0.00 0.00 0.00 177.43 178.25 3aig h SER 77 N 0.17 0.77 0.10 1.15 0.02 -0.62 -1.89 113.55 113.24 3aig h SER 77 Ca 0.05 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 3aig h SER 77 Cb -0.01 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 3aig h SER 77 CO -0.01 0.58 -0.45 0.15 -1.14 0.00 0.00 176.83 175.95 3aig h PHE 78 N 0.89 0.52 0.50 3.45 3.57 -0.68 -2.38 116.94 122.81 3aig h PHE 78 Ca 0.24 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 3aig h PHE 78 Cb -0.07 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3aig h PHE 78 CO -0.02 0.81 -0.24 0.78 -2.23 0.00 0.00 178.31 177.41 3aig h GLY 79 N 1.16 -0.71 0.52 2.40 0.00 -0.27 -1.51 103.07 104.67 3aig h GLY 79 Ca 0.02 0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.70 3aig h GLY 79 CO 0.08 -0.26 0.37 -2.09 0.00 0.00 0.00 176.54 174.65 3aig h GLU 80 N -0.71 0.63 -0.79 4.80 4.22 -1.32 -1.94 114.58 119.47 3aig h GLU 80 Ca -0.07 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 3aig h GLU 80 Cb 0.53 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3aig h GLU 80 CO 0.11 0.42 0.49 2.35 -2.18 0.00 0.00 179.01 180.20 3aig h TRP 81 N 0.65 1.03 -0.85 0.92 7.01 -1.28 -0.65 115.95 122.77 3aig h TRP 81 Ca 0.35 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.39 3aig h TRP 81 Cb 0.33 -0.34 -0.05 0.00 -2.10 0.00 0.00 29.16 27.00 3aig h TRP 81 CO -0.09 0.68 0.56 -0.09 -2.79 0.00 0.00 178.44 176.70 3aig h ARG 82 N 1.08 1.02 -0.04 2.65 1.12 -0.49 0.25 114.38 119.97 3aig h ARG 82 Ca 0.29 -0.06 -0.05 0.00 -1.11 0.00 0.00 59.98 59.04 3aig h ARG 82 Cb -0.06 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 29.67 3aig h ARG 82 CO -0.06 0.67 -0.18 1.49 -3.11 0.00 0.00 179.97 178.79 3aig h GLU 83 N 1.05 0.20 0.00 0.20 4.81 -1.05 0.20 114.58 119.98 3aig h GLU 83 Ca 0.34 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 3aig h GLU 83 Cb 0.05 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3aig h GLU 83 CO -0.11 0.80 -0.57 -0.09 -0.73 0.00 0.00 179.01 178.32 3aig h ARG 84 N -0.36 0.00 0.00 1.92 2.43 -0.91 -3.39 114.38 114.07 3aig h ARG 84 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3aig h ARG 84 Cb 0.83 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3aig h ARG 84 CO 0.04 0.57 -0.85 0.28 -1.51 0.00 0.00 179.97 178.50 3aig n VAL 85 N -3.30 0.30 -0.04 0.20 0.31 0.85 -4.78 118.33 111.86 3aig n VAL 85 Ca 0.01 0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 3aig n VAL 85 Cb 0.73 -1.54 -0.07 0.00 -0.91 0.00 0.00 33.84 32.05 3aig n VAL 85 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3aig h LEU 86 N -0.04 0.25 -1.70 7.52 5.85 -1.41 -3.27 115.31 122.50 3aig h LEU 86 Ca -0.02 -0.41 0.12 0.00 0.84 0.00 0.00 57.88 58.41 3aig h LEU 86 Cb 0.82 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.75 3aig h LEU 86 CO -0.01 0.61 0.41 0.25 -0.34 0.00 0.00 178.44 179.35 3aig h LEU 87 N -0.10 0.29 -1.04 2.25 5.85 -0.79 -1.22 115.31 120.54 3aig h LEU 87 Ca 0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3aig h LEU 87 Cb 0.51 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3aig h LEU 87 CO 0.02 0.17 0.00 0.71 -0.34 0.00 0.00 178.44 179.00 3aig h THR 88 N 0.32 0.00 -0.59 1.05 1.35 -1.78 -3.44 112.91 109.81 3aig h THR 88 Ca 0.28 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3aig h THR 88 Cb 0.68 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3aig h THR 88 CO -0.07 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.74 3aig n ARG 89 N -2.76 3.64 -1.54 4.72 5.12 -0.46 -5.01 116.66 120.37 3aig n ARG 89 Ca 0.02 0.00 -0.51 0.00 -1.93 0.00 0.00 57.85 55.42 3aig n ARG 89 Cb 0.30 0.00 -0.05 0.00 -1.16 0.00 0.00 32.46 31.55 3aig n ARG 89 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3aig n LYS 90 N 0.00 0.76 -1.68 5.56 4.81 -1.26 -4.85 118.16 121.50 3aig n LYS 90 Ca 0.00 0.27 -0.45 0.00 -0.87 0.00 0.00 58.31 57.26 3aig n LYS 90 Cb 0.00 -1.73 -0.04 0.00 0.02 0.00 0.00 35.03 33.28 3aig n LYS 90 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3aig n ARG 91 N 1.72 2.21 -3.56 1.64 0.63 -1.26 -4.87 116.66 113.16 3aig n ARG 91 Ca 0.17 0.79 -0.14 0.00 -0.92 0.00 0.00 57.85 57.75 3aig n ARG 91 Cb 0.20 -2.55 -0.05 0.00 0.45 0.00 0.00 32.46 30.51 3aig n ARG 91 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 3aig s HIS 92 N 0.67 -0.45 -0.19 -0.14 -3.43 -1.26 -5.01 115.29 105.48 3aig s HIS 92 Ca 0.75 0.55 0.09 0.00 -0.80 0.00 0.00 55.06 55.65 3aig s HIS 92 Cb -0.65 0.35 -0.22 0.00 -1.43 0.00 0.00 32.58 30.64 3aig s HIS 92 CO 0.40 -0.64 0.08 -0.25 -2.00 0.00 0.00 174.74 172.33 3aig n ASP 93 N 0.46 1.08 -3.86 7.38 8.00 0.73 -4.98 116.55 125.36 3aig n ASP 93 Ca -0.18 0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.24 3aig n ASP 93 Cb 0.60 0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.74 3aig n ASP 93 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3aig s ASN 94 N -6.13 0.06 -0.02 -2.24 3.84 -0.86 -4.04 114.94 105.55 3aig s ASN 94 Ca -0.20 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 52.51 3aig s ASN 94 Cb 0.07 0.27 0.02 0.00 -0.55 0.00 0.00 41.25 41.07 3aig s ASN 94 CO 0.74 -0.52 0.01 0.00 -2.79 0.00 0.00 177.10 174.53 3aig s ALA 95 N -2.40 0.23 -0.04 1.71 0.00 -1.19 -1.62 121.76 118.46 3aig s ALA 95 Ca -0.06 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.14 3aig s ALA 95 Cb -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3aig s ALA 95 CO -0.03 -0.06 -0.24 -0.65 0.00 0.00 0.00 175.76 174.77 3aig s GLN 96 N 0.89 2.32 -0.05 0.00 -1.52 -0.44 -2.50 119.66 118.36 3aig s GLN 96 Ca -0.08 -0.89 -0.12 0.00 -1.95 0.00 0.00 55.36 52.31 3aig s GLN 96 Cb -0.12 -2.13 -0.05 0.00 -0.22 0.00 0.00 33.01 30.50 3aig s GLN 96 CO -0.02 0.50 0.30 -1.17 -0.25 0.00 0.00 175.29 174.66 3aig s LEU 97 N -0.46 4.44 -0.29 2.90 2.96 -0.27 -1.01 118.68 126.94 3aig s LEU 97 Ca 0.05 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 54.75 3aig s LEU 97 Cb -0.11 -2.38 0.08 0.00 0.50 0.00 0.00 46.19 44.28 3aig s LEU 97 CO 0.01 0.35 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.16 3aig s LEU 98 N -1.03 3.70 0.30 -0.68 2.96 0.20 -0.37 118.68 123.76 3aig s LEU 98 Ca 0.20 -1.69 0.10 0.00 -0.22 0.00 0.00 54.13 52.52 3aig s LEU 98 Cb -0.15 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 3aig s LEU 98 CO 0.10 -0.30 -0.09 0.28 -1.32 0.00 0.00 176.35 175.01 3aig s THR 99 N 1.13 2.68 -0.18 3.68 -1.32 -0.75 -2.39 115.64 118.49 3aig s THR 99 Ca 0.02 -2.17 0.14 0.00 -1.21 0.00 0.00 61.69 58.47 3aig s THR 99 Cb -0.19 -2.59 0.37 0.00 -1.51 0.00 0.00 72.50 68.58 3aig s THR 99 CO -0.09 -0.32 1.19 0.00 -2.21 0.00 0.00 174.62 173.20 3aig n ALA 100 N -0.78 3.14 -2.38 11.08 0.00 -1.26 -0.46 120.51 129.85 3aig n ALA 100 Ca -0.05 -3.05 -0.30 0.00 0.00 0.00 0.00 53.44 50.04 3aig n ALA 100 Cb 0.61 -0.36 -0.03 0.00 0.00 0.00 0.00 19.45 19.66 3aig n ALA 100 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3aig s ILE 101 N -3.09 4.92 -0.41 0.00 2.07 -1.26 -4.95 121.20 118.49 3aig s ILE 101 Ca 0.36 0.31 -0.16 0.00 -1.41 0.00 0.00 60.65 59.75 3aig s ILE 101 Cb 0.34 -3.72 0.02 0.00 0.13 0.00 0.00 42.46 39.22 3aig s ILE 101 CO -0.03 -0.36 0.38 0.20 -1.91 0.00 0.00 174.94 173.21 3aig s ASN 102 N -3.06 6.16 0.80 4.50 -0.87 -1.26 -4.89 114.94 116.32 3aig s ASN 102 Ca 0.47 -0.69 -0.11 0.00 -1.57 0.00 0.00 52.86 50.96 3aig s ASN 102 Cb -0.11 -2.20 0.07 0.00 -0.02 0.00 0.00 41.25 39.00 3aig s ASN 102 CO 0.29 -0.50 1.09 -0.36 -2.57 0.00 0.00 177.10 175.06 3aig s PHE 103 N 1.96 2.79 -0.05 2.20 0.08 -1.26 -4.68 117.98 119.02 3aig s PHE 103 Ca 0.09 1.18 -0.17 0.00 0.12 0.00 0.00 56.93 58.16 3aig s PHE 103 Cb -0.18 -3.11 -0.05 0.00 -0.57 0.00 0.00 43.02 39.11 3aig s PHE 103 CO 0.12 -1.80 0.46 -1.83 -0.10 0.00 0.00 175.22 172.07 3aig s GLU 104 N -5.13 4.16 0.00 0.44 -1.05 -0.43 -4.28 118.70 112.43 3aig s GLU 104 Ca 0.61 0.47 0.00 0.00 -0.15 0.00 0.00 54.97 55.90 3aig s GLU 104 Cb -0.15 -3.33 0.00 0.00 -0.44 0.00 0.00 34.13 30.22 3aig s GLU 104 CO 0.55 0.43 0.00 0.41 0.95 0.00 0.00 175.26 177.60 3aig n GLY 105 N 2.49 0.91 2.39 -3.83 0.00 -1.26 -4.22 105.19 101.67 3aig n GLY 105 Ca -0.10 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 3aig n GLY 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3aig n LYS 106 N -2.15 -1.06 -2.56 1.61 4.01 -1.26 -4.98 118.16 111.78 3aig n LYS 106 Ca 0.00 0.93 -0.42 0.00 -0.51 0.00 0.00 58.31 58.32 3aig n LYS 106 Cb 0.00 -5.11 -0.03 0.00 -0.51 0.00 0.00 35.03 29.38 3aig n LYS 106 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3aig s ILE 107 N -2.59 4.25 0.00 -0.18 -1.09 -1.26 -4.90 121.20 115.42 3aig s ILE 107 Ca 0.00 1.73 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 3aig s ILE 107 Cb 0.00 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 3aig s ILE 107 CO 0.00 0.20 0.95 2.30 -1.23 0.00 0.00 174.94 177.16 3aig n ILE 108 N 3.33 0.90 0.00 2.92 -5.35 -1.26 -4.35 119.36 115.55 3aig n ILE 108 Ca 0.06 -0.90 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 3aig n ILE 108 Cb 0.48 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.93 3aig n ILE 108 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3aig n GLY 109 N -0.45 1.15 3.63 3.28 0.00 -1.26 -2.07 105.19 109.48 3aig n GLY 109 Ca 0.00 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 3aig n GLY 109 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3aig s LYS 110 N -2.00 0.75 0.25 1.61 2.20 0.11 -5.00 119.74 117.66 3aig s LYS 110 Ca 0.00 0.93 -0.10 0.00 -0.36 0.00 0.00 55.97 56.45 3aig s LYS 110 Cb 0.00 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.65 3aig s LYS 110 CO 0.00 -0.10 0.43 0.00 -0.36 0.00 0.00 175.35 175.32 3aig s ALA 111 N 0.50 0.10 -0.01 3.13 0.00 -1.26 0.31 121.76 124.53 3aig s ALA 111 Ca -0.01 -1.09 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 3aig s ALA 111 Cb -0.05 1.13 -0.05 0.00 0.00 0.00 0.00 23.12 24.14 3aig s ALA 111 CO -0.03 -0.81 0.34 0.71 0.00 0.00 0.00 175.76 175.97 3aig s TYR 112 N -3.89 3.66 0.25 0.00 2.02 -1.24 -4.97 117.35 113.19 3aig s TYR 112 Ca 0.26 0.83 -0.10 0.00 -0.37 0.00 0.00 57.07 57.69 3aig s TYR 112 Cb 0.01 -2.17 -0.07 0.00 -0.40 0.00 0.00 41.96 39.32 3aig s TYR 112 CO 0.11 0.64 0.58 0.95 -1.57 0.00 0.00 175.55 176.26 3aig s THR 113 N -1.15 4.91 -1.62 -0.71 -4.23 -1.26 -2.57 115.64 109.01 3aig s THR 113 Ca 0.24 0.49 -0.12 0.00 -1.18 0.00 0.00 61.69 61.12 3aig s THR 113 Cb -0.15 -3.63 0.11 0.00 1.34 0.00 0.00 72.50 70.17 3aig s THR 113 CO 0.13 -0.12 0.62 -1.20 -0.54 0.00 0.00 174.62 173.50 3aig n SER 114 N -0.28 -2.09 -0.05 3.99 7.64 -0.45 -4.88 113.62 117.50 3aig n SER 114 Ca 0.01 -1.04 0.04 0.00 1.01 0.00 0.00 58.87 58.89 3aig n SER 114 Cb 0.53 -2.71 0.05 0.00 -1.01 0.00 0.00 64.21 61.07 3aig n SER 114 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3aig n SER 115 N -2.76 1.92 -4.66 6.43 3.41 -0.38 -4.90 113.62 112.68 3aig n SER 115 Ca -0.06 -2.35 -0.46 0.00 -0.26 0.00 0.00 58.87 55.74 3aig n SER 115 Cb 0.56 -0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 3aig n SER 115 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3aig n MET 116 N -0.80 1.95 -0.12 4.33 1.56 -0.74 -0.99 117.12 122.31 3aig n MET 116 Ca 0.06 0.70 0.00 0.00 -0.27 0.00 0.00 57.70 58.19 3aig n MET 116 Cb 0.43 -2.41 0.00 0.00 2.15 0.00 0.00 33.22 33.39 3aig n MET 116 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3aig s ASN 118 N -3.48 6.83 0.33 0.00 3.84 -0.16 -4.92 114.94 117.37 3aig s ASN 118 Ca 0.00 2.06 0.11 0.00 0.21 0.00 0.00 52.86 55.24 3aig s ASN 118 Cb 0.00 -2.55 0.97 0.00 -0.55 0.00 0.00 41.25 39.12 3aig s ASN 118 CO 0.00 -0.77 1.67 -0.65 -2.79 0.00 0.00 177.10 174.56 3aig h PRO 119 N 8.28 0.35 -0.00 0.43 0.11 -1.95 -1.30 132.00 137.91 3aig h PRO 119 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3aig h PRO 119 Cb 1.16 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3aig h PRO 119 CO 0.93 0.23 -0.37 -2.13 -0.21 0.00 0.00 178.00 176.44 3aig n ARG 120 N -5.05 3.07 -0.00 1.05 0.63 -1.26 -3.90 116.66 111.20 3aig n ARG 120 Ca 0.29 -0.24 0.01 0.00 -0.92 0.00 0.00 57.85 56.99 3aig n ARG 120 Cb 0.87 -1.02 -0.01 0.00 0.45 0.00 0.00 32.46 32.75 3aig n ARG 120 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3aig n SER 121 N -0.85 1.32 -3.98 6.15 7.64 -1.11 -4.38 113.62 118.41 3aig n SER 121 Ca 0.03 -0.40 -0.40 0.00 1.01 0.00 0.00 58.87 59.11 3aig n SER 121 Cb 0.18 1.03 -0.03 0.00 -1.01 0.00 0.00 64.21 64.38 3aig n SER 121 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3aig n SER 122 N -1.19 3.45 -3.81 6.43 2.88 -0.51 -4.46 113.62 116.40 3aig n SER 122 Ca 0.00 -2.77 -0.08 0.00 -1.33 0.00 0.00 58.87 54.68 3aig n SER 122 Cb 0.04 -1.50 -0.03 0.00 -0.75 0.00 0.00 64.21 61.97 3aig n SER 122 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3aig s VAL 123 N 5.29 0.00 -0.12 2.46 1.01 -1.26 -3.15 120.40 124.64 3aig s VAL 123 Ca 0.55 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 3aig s VAL 123 Cb 0.10 -1.85 0.12 0.00 0.00 0.00 0.00 36.38 34.74 3aig s VAL 123 CO 0.05 -0.02 0.94 -0.83 0.00 0.00 0.00 175.10 175.24 3aig s GLY 124 N -2.91 -0.34 -0.09 4.51 0.00 -1.04 -3.63 107.32 103.83 3aig s GLY 124 Ca 0.11 1.78 0.02 0.00 0.00 0.00 0.00 44.72 46.62 3aig s GLY 124 CO 0.04 0.90 -0.12 -0.26 0.00 0.00 0.00 173.10 173.65 3aig s ILE 125 N -1.46 3.17 -0.03 0.90 -4.36 0.15 -1.11 121.20 118.46 3aig s ILE 125 Ca -0.02 -0.65 0.04 0.00 -0.26 0.00 0.00 60.65 59.76 3aig s ILE 125 Cb -0.00 -2.29 -0.01 0.00 1.25 0.00 0.00 42.46 41.41 3aig s ILE 125 CO 0.01 0.56 -0.15 -0.69 0.24 0.00 0.00 174.94 174.91 3aig s VAL 126 N -0.29 1.26 -0.15 8.37 1.01 0.50 -0.72 120.40 130.38 3aig s VAL 126 Ca 0.02 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 3aig s VAL 126 Cb -0.13 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 3aig s VAL 126 CO 0.03 0.36 0.16 -0.75 0.00 0.00 0.00 175.10 174.90 3aig s LYS 127 N -0.11 3.88 -1.25 2.72 2.20 -0.88 -1.81 119.74 124.50 3aig s LYS 127 Ca 0.00 -0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 55.41 3aig s LYS 127 Cb -0.09 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.84 3aig s LYS 127 CO 0.01 0.51 2.56 -3.47 -0.36 0.00 0.00 175.35 174.59 3aig n ASP 128 N 2.82 6.84 0.00 1.43 2.03 0.39 -4.68 116.55 125.39 3aig n ASP 128 Ca -0.17 -2.44 0.06 0.00 0.52 0.00 0.00 54.79 52.75 3aig n ASP 128 Cb 0.53 -1.33 0.28 0.00 -0.72 0.00 0.00 41.12 39.88 3aig n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3aig n HIS 129 N 3.85 0.00 -3.65 -0.67 1.44 -1.26 -4.80 115.22 110.13 3aig n HIS 129 Ca 0.61 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 56.17 3aig n HIS 129 Cb 0.20 -0.40 -0.08 0.00 0.12 0.00 0.00 29.99 29.83 3aig n HIS 129 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3aig s SER 130 N -2.79 -0.47 0.27 4.39 0.15 -1.26 -5.04 113.70 108.95 3aig s SER 130 Ca 0.08 0.57 0.25 0.00 0.70 0.00 0.00 55.95 57.55 3aig s SER 130 Cb 0.08 0.59 0.97 0.00 -1.71 0.00 0.00 66.02 65.95 3aig s SER 130 CO 0.20 -0.45 1.74 -0.81 1.20 0.00 0.00 173.24 175.11 3aig n PRO 131 N 1.47 0.22 -2.84 5.44 -0.04 -1.26 -4.70 135.00 133.30 3aig n PRO 131 Ca -0.19 0.40 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 3aig n PRO 131 Cb 0.56 -1.89 -0.04 0.00 -0.04 0.00 0.00 33.50 32.10 3aig n PRO 131 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3aig s ILE 132 N -3.30 4.67 0.29 0.52 -1.09 -1.26 -4.94 121.20 116.10 3aig s ILE 132 Ca 0.05 1.32 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 3aig s ILE 132 Cb 0.10 -4.26 0.29 0.00 -1.58 0.00 0.00 42.46 37.00 3aig s ILE 132 CO 0.43 -0.37 1.71 0.78 -1.23 0.00 0.00 174.94 176.26 3aig h ASN 133 N 8.19 0.40 0.06 3.58 2.35 -1.99 -2.57 115.58 125.61 3aig h ASN 133 Ca -0.23 0.15 0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3aig h ASN 133 Cb 1.08 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.53 3aig h ASN 133 CO 0.94 0.04 -0.31 0.25 -1.65 0.00 0.00 177.43 176.70 3aig h LEU 134 N 0.45 -0.92 -2.12 1.61 5.85 -1.96 0.11 115.31 118.32 3aig h LEU 134 Ca 0.56 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.46 3aig h LEU 134 Cb 1.04 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 3aig h LEU 134 CO -0.50 -0.32 0.31 -0.07 -0.34 0.00 0.00 178.44 177.51 3aig h LEU 135 N -0.43 0.00 0.14 2.25 4.07 -1.85 0.30 115.31 119.80 3aig h LEU 135 Ca -0.00 0.00 -0.35 0.00 0.08 0.00 0.00 57.88 57.60 3aig h LEU 135 Cb 0.44 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 3aig h LEU 135 CO -0.17 0.00 -1.86 0.58 -1.08 0.00 0.00 178.44 175.91 3aig h VAL 136 N 0.00 0.79 -0.53 1.22 2.07 -1.31 -3.23 116.25 115.25 3aig h VAL 136 Ca 0.12 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.15 3aig h VAL 136 Cb 0.74 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 3aig h VAL 136 CO -0.00 0.86 0.15 0.00 0.02 0.00 0.00 177.57 178.60 3aig h ALA 137 N 0.16 1.26 -0.66 1.67 0.00 0.42 -2.38 119.26 119.73 3aig h ALA 137 Ca -0.38 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 3aig h ALA 137 Cb 2.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 3aig h ALA 137 CO 0.13 0.52 0.21 0.28 0.00 0.00 0.00 179.25 180.39 3aig h VAL 138 N 0.78 1.25 -0.60 0.00 2.07 -1.12 0.98 116.25 119.61 3aig h VAL 138 Ca 0.18 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3aig h VAL 138 Cb 0.26 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 3aig h VAL 138 CO -0.01 0.33 0.38 0.74 0.02 0.00 0.00 177.57 179.03 3aig h THR 139 N 0.95 1.16 -0.22 2.57 2.02 -1.46 0.22 112.91 118.16 3aig h THR 139 Ca 0.21 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 3aig h THR 139 Cb 0.29 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3aig h THR 139 CO -0.01 0.16 -0.32 -0.03 0.37 0.00 0.00 175.52 175.69 3aig h MET 140 N 0.81 0.46 -0.22 6.66 -1.53 -1.04 0.22 114.93 120.29 3aig h MET 140 Ca 0.22 -0.20 -0.09 0.00 -3.44 0.00 0.00 59.70 56.19 3aig h MET 140 Cb -0.06 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 30.96 3aig h MET 140 CO -0.04 0.73 -0.26 0.00 0.14 0.00 0.00 176.91 177.47 3aig h ALA 141 N 1.27 1.15 -0.04 0.39 0.00 0.07 0.25 119.26 122.34 3aig h ALA 141 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3aig h ALA 141 Cb 0.76 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3aig h ALA 141 CO 0.06 0.54 -0.10 1.25 0.00 0.00 0.00 179.25 181.00 3aig h HIS 142 N 0.37 0.18 -0.53 0.00 6.17 -0.09 -0.27 115.15 120.97 3aig h HIS 142 Ca 0.05 -0.07 -0.01 0.00 0.71 0.00 0.00 60.37 61.06 3aig h HIS 142 Cb 0.66 -0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.53 3aig h HIS 142 CO 0.02 0.70 0.30 0.93 0.71 0.00 0.00 177.93 180.59 3aig h GLU 143 N -0.40 0.73 0.00 5.26 3.07 -0.44 -0.13 114.58 122.67 3aig h GLU 143 Ca -0.00 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 3aig h GLU 143 Cb 0.70 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 3aig h GLU 143 CO 0.02 0.56 -0.25 1.25 -1.40 0.00 0.00 179.01 179.19 3aig h LEU 144 N 0.70 0.00 -0.53 1.33 5.85 -0.56 -2.41 115.31 119.70 3aig h LEU 144 Ca 0.19 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 3aig h LEU 144 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 3aig h LEU 144 CO -0.03 0.25 -0.38 1.23 -0.34 0.00 0.00 178.44 179.17 3aig h GLY 145 N 1.20 0.84 1.00 3.75 0.00 0.66 -3.00 103.07 107.53 3aig h GLY 145 Ca -0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.46 3aig h GLY 145 CO 0.03 0.76 0.31 0.45 0.00 0.00 0.00 176.54 178.09 3aig h HIS 146 N 0.64 0.96 -0.36 5.60 3.86 -0.62 -1.65 115.15 123.58 3aig h HIS 146 Ca 0.05 -0.05 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 3aig h HIS 146 Cb 0.94 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 3aig h HIS 146 CO 0.05 0.73 0.25 -0.91 0.86 0.00 0.00 177.93 178.91 3aig h ASN 147 N 0.92 0.11 -0.27 2.45 -0.26 -1.38 0.23 115.58 117.38 3aig h ASN 147 Ca 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 3aig h ASN 147 Cb 0.14 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 3aig h ASN 147 CO -0.03 0.07 0.00 0.18 -1.06 0.00 0.00 177.43 176.59 3aig n LEU 148 N -4.46 2.69 0.00 1.61 4.77 -0.68 -1.25 117.00 119.68 3aig n LEU 148 Ca 0.05 -1.36 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3aig n LEU 148 Cb 0.34 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3aig n LEU 148 CO 0.35 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 3aig n GLY 149 N 0.47 0.62 3.72 -0.72 0.00 -0.06 -4.13 105.19 105.10 3aig n GLY 149 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3aig n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3aig s MET 150 N -0.11 4.59 0.44 1.61 -1.94 -0.85 -4.60 119.30 118.45 3aig s MET 150 Ca 0.00 1.58 0.08 0.00 -1.71 0.00 0.00 55.69 55.64 3aig s MET 150 Cb 0.00 -3.36 0.01 0.00 2.01 0.00 0.00 34.83 33.49 3aig s MET 150 CO 0.00 0.03 0.50 -1.21 -0.01 0.00 0.00 175.02 174.34 3aig s GLU 151 N 0.29 2.60 0.54 2.03 2.02 -1.26 -4.39 118.70 120.54 3aig s GLU 151 Ca 0.51 -1.47 -0.18 0.00 0.02 0.00 0.00 54.97 53.85 3aig s GLU 151 Cb -0.26 -2.54 -0.06 0.00 0.10 0.00 0.00 34.13 31.38 3aig s GLU 151 CO 0.31 -0.33 1.05 -1.01 0.02 0.00 0.00 175.26 175.29 3aig s HIS 152 N -2.47 3.02 0.10 1.61 3.76 -1.26 -4.86 115.29 115.19 3aig s HIS 152 Ca 0.51 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.96 3aig s HIS 152 Cb -0.06 -3.02 0.02 0.00 1.11 0.00 0.00 32.58 30.63 3aig s HIS 152 CO 0.31 -0.95 0.14 -0.25 -0.85 0.00 0.00 174.74 173.14 3aig n ASP 153 N -1.52 0.19 -4.82 1.40 8.00 0.14 -4.98 116.55 114.95 3aig n ASP 153 Ca 0.09 -1.16 -0.33 0.00 0.71 0.00 0.00 54.79 54.10 3aig n ASP 153 Cb 0.53 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.48 3aig n ASP 153 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3aig s GLY 154 N -2.73 2.33 0.45 0.44 0.00 -1.26 -4.37 107.32 102.18 3aig s GLY 154 Ca 0.09 0.38 0.16 0.00 0.00 0.00 0.00 44.72 45.35 3aig s GLY 154 CO 0.06 0.66 1.42 0.50 0.00 0.00 0.00 173.10 175.74 3aig h LYS 155 N 1.64 0.00 -0.00 2.90 1.57 -1.98 0.14 116.57 120.84 3aig h LYS 155 Ca -0.49 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 3aig h LYS 155 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 3aig h LYS 155 CO 0.61 0.00 -0.58 -0.25 -0.57 0.00 0.00 179.45 178.65 3aig n ASP 156 N -2.30 1.60 -4.70 0.86 8.00 -1.26 -4.97 116.55 113.79 3aig n ASP 156 Ca -0.01 -3.62 -0.42 0.00 0.71 0.00 0.00 54.79 51.45 3aig n ASP 156 Cb 0.41 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3aig n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3aig s LEU 158 N 2.32 1.83 -1.38 0.00 2.96 -1.26 -3.08 118.68 120.07 3aig s LEU 158 Ca 0.76 -1.45 -0.16 0.00 -0.22 0.00 0.00 54.13 53.05 3aig s LEU 158 Cb -0.43 -0.75 0.06 0.00 0.50 0.00 0.00 46.19 45.56 3aig s LEU 158 CO 0.33 -0.40 1.98 -1.14 -1.32 0.00 0.00 176.35 175.81 3aig n ARG 159 N 4.93 3.03 0.00 1.98 3.00 0.35 -4.79 116.66 125.16 3aig n ARG 159 Ca -0.04 -2.94 0.00 0.00 -0.00 0.00 0.00 57.85 54.87 3aig n ARG 159 Cb 0.43 -3.39 0.00 0.00 0.00 0.00 0.00 32.46 29.49 3aig n ARG 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3aig n GLY 160 N 4.75 0.48 0.10 5.14 0.00 -1.26 -2.89 105.19 111.51 3aig n GLY 160 Ca 0.50 -0.84 -0.02 0.00 0.00 0.00 0.00 46.02 45.67 3aig n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aig h ALA 161 N 0.00 0.55 -2.40 4.61 0.00 -1.99 -3.47 119.26 116.57 3aig h ALA 161 Ca 0.00 -0.71 -0.51 0.00 0.00 0.00 0.00 54.91 53.69 3aig h ALA 161 Cb 0.00 -0.06 0.10 0.00 0.00 0.00 0.00 17.79 17.83 3aig h ALA 161 CO 0.00 0.94 0.36 -1.12 0.00 0.00 0.00 179.25 179.43 3aig s SER 162 N -6.49 5.14 0.02 0.00 0.01 -1.14 -4.91 113.70 106.34 3aig s SER 162 Ca 0.02 1.90 -0.19 0.00 1.31 0.00 0.00 55.95 59.00 3aig s SER 162 Cb 0.09 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.72 3aig s SER 162 CO 0.78 -1.60 0.53 -0.76 0.41 0.00 0.00 173.24 172.60 3aig s LEU 163 N -5.04 4.47 0.12 2.44 1.43 0.15 -0.50 118.68 121.75 3aig s LEU 163 Ca 0.65 1.14 -0.31 0.00 -1.03 0.00 0.00 54.13 54.57 3aig s LEU 163 Cb -0.19 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 3aig s LEU 163 CO 0.44 0.22 1.40 0.00 0.23 0.00 0.00 176.35 178.65 3aig h ILE 165 N 4.22 1.15 -0.51 0.00 2.04 -1.91 -3.16 117.51 119.35 3aig h ILE 165 Ca -0.42 -0.44 -0.30 0.00 1.00 0.00 0.00 64.86 64.70 3aig h ILE 165 Cb 1.21 0.68 -0.15 0.00 -0.74 0.00 0.00 36.82 37.82 3aig h ILE 165 CO 0.87 0.17 0.38 0.23 0.00 0.00 0.00 178.15 179.80 3aig n MET 166 N -4.39 1.72 -1.40 2.37 2.81 -1.26 -4.79 117.12 112.18 3aig n MET 166 Ca 0.03 -1.58 -0.29 0.00 -1.81 0.00 0.00 57.70 54.04 3aig n MET 166 Cb 0.13 -1.62 0.17 0.00 -0.71 0.00 0.00 33.22 31.19 3aig n MET 166 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3aig s ARG 167 N -1.78 0.48 0.03 0.03 0.52 -1.19 0.24 118.95 117.28 3aig s ARG 167 Ca 0.30 0.21 0.28 0.00 -0.52 0.00 0.00 55.73 56.00 3aig s ARG 167 Cb 0.25 -1.77 1.15 0.00 0.52 0.00 0.00 34.95 35.10 3aig s ARG 167 CO 0.03 -2.63 1.89 -2.30 0.02 0.00 0.00 175.30 172.31 3aig n PRO 168 N -4.05 0.04 -3.65 3.54 -0.02 -1.26 -4.70 135.00 124.90 3aig n PRO 168 Ca 0.08 0.05 -0.15 0.00 -2.02 0.00 0.00 63.50 61.46 3aig n PRO 168 Cb 0.59 -1.55 -0.08 0.00 -0.02 0.00 0.00 33.50 32.44 3aig n PRO 168 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3aig s GLY 169 N -3.09 -0.38 -0.21 -1.23 0.00 -1.26 -5.13 107.32 96.02 3aig s GLY 169 Ca 0.13 1.00 -0.24 0.00 0.00 0.00 0.00 44.72 45.61 3aig s GLY 169 CO 0.53 0.74 0.81 -2.27 0.00 0.00 0.00 173.10 172.90 3aig s LEU 170 N -0.87 4.13 -0.23 0.66 2.96 -1.26 -5.02 118.68 119.04 3aig s LEU 170 Ca -0.09 1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 54.81 3aig s LEU 170 Cb -0.03 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.46 3aig s LEU 170 CO 0.06 -0.44 0.07 -0.89 -1.32 0.00 0.00 176.35 173.83 3aig s THR 171 N 2.45 4.51 -1.09 3.68 2.01 -1.26 -5.01 115.64 120.93 3aig s THR 171 Ca 0.36 -0.11 -0.25 0.00 0.31 0.00 0.00 61.69 61.99 3aig s THR 171 Cb -0.16 -3.08 -0.17 0.00 0.01 0.00 0.00 72.50 69.09 3aig s THR 171 CO 0.10 0.38 2.08 -2.16 -0.69 0.00 0.00 174.62 174.32 3aig s PRO 172 N 1.17 1.63 0.00 4.92 0.04 -1.26 -4.88 135.00 136.62 3aig s PRO 172 Ca 0.05 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.50 3aig s PRO 172 Cb -0.14 -5.05 0.00 0.00 0.04 0.00 0.00 34.50 29.35 3aig s PRO 172 CO 0.03 -4.94 0.00 0.41 0.04 0.00 0.00 177.00 172.55 3aig n GLY 173 N 6.12 1.77 0.00 0.56 0.00 -1.26 -5.08 105.19 107.29 3aig n GLY 173 Ca 0.43 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3aig n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aig n ARG 174 N 0.00 2.19 -4.61 1.61 1.74 -1.26 -5.04 116.66 111.29 3aig n ARG 174 Ca 0.00 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 3aig n ARG 174 Cb 0.00 -0.83 -0.15 0.00 -1.02 0.00 0.00 32.46 30.46 3aig n ARG 174 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3aig s SER 175 N -1.60 1.60 0.01 0.55 0.15 -1.26 -5.09 113.70 108.06 3aig s SER 175 Ca 0.00 -0.25 0.01 0.00 0.70 0.00 0.00 55.95 56.41 3aig s SER 175 Cb 0.00 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.07 3aig s SER 175 CO 0.00 0.15 -0.04 -0.31 1.20 0.00 0.00 173.24 174.25 3aig s TYR 176 N -0.22 0.33 -0.11 3.44 2.02 -1.26 -0.67 117.35 120.88 3aig s TYR 176 Ca 0.03 -0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 3aig s TYR 176 Cb -0.06 -0.21 0.12 0.00 -0.40 0.00 0.00 41.96 41.41 3aig s TYR 176 CO -0.00 -0.06 1.00 -1.83 -1.57 0.00 0.00 175.55 173.09 3aig s GLU 177 N -0.70 0.62 0.29 -0.62 -1.05 -0.77 -4.88 118.70 111.58 3aig s GLU 177 Ca -0.05 -0.09 -0.29 0.00 -0.15 0.00 0.00 54.97 54.39 3aig s GLU 177 Cb -0.05 0.29 -0.10 0.00 -0.44 0.00 0.00 34.13 33.83 3aig s GLU 177 CO -0.00 -0.24 1.26 -0.06 0.95 0.00 0.00 175.26 177.16 3aig s PHE 178 N -2.15 3.23 1.03 4.83 0.08 -1.26 -2.94 117.98 120.80 3aig s PHE 178 Ca 0.03 1.44 -0.16 0.00 0.12 0.00 0.00 56.93 58.36 3aig s PHE 178 Cb -0.01 -3.56 0.21 0.00 -0.57 0.00 0.00 43.02 39.09 3aig s PHE 178 CO -0.04 -1.54 1.19 -1.54 -0.10 0.00 0.00 175.22 173.19 3aig s SER 179 N -0.37 2.46 0.17 1.36 1.04 -1.26 -4.94 113.70 112.16 3aig s SER 179 Ca 0.50 0.60 0.08 0.00 0.48 0.00 0.00 55.95 57.61 3aig s SER 179 Cb -0.37 -0.86 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 3aig s SER 179 CO 0.46 -3.17 1.38 0.44 0.98 0.00 0.00 173.24 173.34 3aig h ASP 180 N -1.93 0.00 -0.53 7.02 3.32 -1.99 -2.99 116.42 119.33 3aig h ASP 180 Ca -0.46 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.49 3aig h ASP 180 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 3aig h ASP 180 CO 0.44 0.87 -0.06 0.44 -1.72 0.00 0.00 179.24 179.21 3aig h ASP 181 N 0.00 0.97 -0.59 6.45 3.32 -1.99 -1.15 116.42 123.43 3aig h ASP 181 Ca -0.01 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 3aig h ASP 181 Cb 1.57 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.83 3aig h ASP 181 CO 0.11 1.07 0.11 0.28 -1.72 0.00 0.00 179.24 179.09 3aig h SER 182 N 0.85 0.96 0.50 6.45 0.02 -1.88 -1.23 113.55 119.20 3aig h SER 182 Ca 0.14 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3aig h SER 182 Cb 0.61 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3aig h SER 182 CO 0.04 0.95 -0.17 0.24 -1.14 0.00 0.00 176.83 176.75 3aig h MET 183 N 0.95 0.00 0.40 3.45 2.86 -1.34 -2.59 114.93 118.66 3aig h MET 183 Ca 0.19 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3aig h MET 183 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3aig h MET 183 CO 0.01 0.17 -0.19 0.78 1.06 0.00 0.00 176.91 178.74 3aig h GLY 184 N 1.17 -0.56 -0.64 8.32 0.00 -0.07 -1.60 103.07 109.68 3aig h GLY 184 Ca -0.00 0.21 0.35 0.00 0.00 0.00 0.00 47.33 47.89 3aig h GLY 184 CO 0.02 -0.21 0.75 -0.97 0.00 0.00 0.00 176.54 176.14 3aig h TYR 185 N -1.00 0.60 -0.07 5.60 0.05 -1.24 0.57 116.97 121.48 3aig h TYR 185 Ca -0.06 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 3aig h TYR 185 Cb 0.41 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3aig h TYR 185 CO 0.01 -0.09 -0.15 -0.92 -1.05 0.00 0.00 178.16 175.97 3aig h TYR 186 N 0.23 0.28 -0.45 4.88 3.20 -1.49 -0.47 116.97 123.15 3aig h TYR 186 Ca 0.71 -0.10 0.04 0.00 3.14 0.00 0.00 58.73 62.52 3aig h TYR 186 Cb 2.05 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 40.23 3aig h TYR 186 CO -0.00 0.75 0.22 0.37 -1.64 0.00 0.00 178.16 177.86 3aig h GLN 187 N -0.27 0.43 0.54 1.82 5.75 0.91 0.32 115.11 124.62 3aig h GLN 187 Ca 0.00 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 3aig h GLN 187 Cb 0.74 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.18 3aig h GLN 187 CO 0.03 0.29 -0.35 -0.22 -2.65 0.00 0.00 178.83 175.92 3aig h LYS 188 N 0.44 -0.81 -0.85 1.69 3.64 -0.19 -2.11 116.57 118.38 3aig h LYS 188 Ca 0.19 0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.77 3aig h LYS 188 Cb 0.10 0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 3aig h LYS 188 CO -0.14 -0.54 0.45 0.35 -2.27 0.00 0.00 179.45 177.29 3aig h PHE 189 N -0.84 0.79 -0.16 1.91 3.57 -0.88 0.36 116.94 121.67 3aig h PHE 189 Ca -0.07 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3aig h PHE 189 Cb 0.68 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3aig h PHE 189 CO -0.06 0.21 0.10 1.25 -2.23 0.00 0.00 178.31 177.58 3aig h LEU 190 N 0.66 0.19 0.00 0.59 5.85 -0.20 -1.66 115.31 120.74 3aig h LEU 190 Ca 0.45 -0.01 -0.15 0.00 0.84 0.00 0.00 57.88 59.01 3aig h LEU 190 Cb 0.60 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3aig h LEU 190 CO -0.34 0.15 -1.59 0.59 -0.34 0.00 0.00 178.44 176.91 3aig n ASN 191 N -4.50 0.62 -0.03 1.25 3.02 -0.27 -2.75 115.26 112.59 3aig n ASN 191 Ca -0.01 0.27 -0.14 0.00 -0.03 0.00 0.00 54.58 54.67 3aig n ASN 191 Cb 0.09 0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 39.72 3aig n ASN 191 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3aig h GLN 192 N 0.00 0.16 0.00 3.52 4.15 0.41 -3.38 115.11 119.98 3aig h GLN 192 Ca -0.17 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 3aig h GLN 192 Cb 1.52 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 29.24 3aig h GLN 192 CO 0.03 0.80 -1.55 0.66 -1.93 0.00 0.00 178.83 176.84 3aig n TYR 193 N -4.60 0.00 -3.70 3.99 4.02 -0.70 -5.05 117.16 111.12 3aig n TYR 193 Ca -0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.49 3aig n TYR 193 Cb 0.42 -0.28 0.03 0.00 -0.02 0.00 0.00 39.34 39.49 3aig n TYR 193 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3aig n LYS 194 N -1.93 -1.11 -1.67 -0.72 5.02 -1.11 -4.84 118.16 111.79 3aig n LYS 194 Ca -0.03 0.51 -0.43 0.00 -2.02 0.00 0.00 58.31 56.34 3aig n LYS 194 Cb 0.33 -3.82 -0.03 0.00 -0.02 0.00 0.00 35.03 31.49 3aig n LYS 194 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3aig n PRO 195 N -3.97 2.80 0.07 1.97 -0.04 -1.26 -4.89 135.00 129.68 3aig n PRO 195 Ca -0.11 1.03 0.12 0.00 -0.04 0.00 0.00 63.50 64.49 3aig n PRO 195 Cb 0.59 -2.95 0.10 0.00 -0.04 0.00 0.00 33.50 31.19 3aig n PRO 195 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3aig h GLN 196 N 9.83 0.00 0.00 0.54 4.20 -1.94 -3.31 115.11 124.42 3aig h GLN 196 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 3aig h GLN 196 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3aig h GLN 196 CO 0.94 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 179.10 3aig n ILE 198 N -2.54 0.52 -0.00 0.00 0.13 -1.25 -4.35 119.36 111.87 3aig n ILE 198 Ca -0.00 -0.60 -0.22 0.00 -1.10 0.00 0.00 62.75 60.83 3aig n ILE 198 Cb 0.15 0.46 -0.14 0.00 -0.84 0.00 0.00 39.64 39.28 3aig n ILE 198 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3aig h LEU 199 N 3.03 0.37 -9.86 9.51 3.38 -1.37 -2.63 115.31 117.75 3aig h LEU 199 Ca 0.00 -0.86 -0.52 0.00 0.09 0.00 0.00 57.88 56.59 3aig h LEU 199 Cb 0.68 -0.12 0.06 0.00 0.09 0.00 0.00 40.66 41.36 3aig h LEU 199 CO 0.00 1.73 0.62 0.54 0.09 0.00 0.00 178.44 181.42 3aig s ASN 200 N -7.05 6.85 -0.13 -0.43 4.22 -1.26 -4.76 114.94 112.37 3aig s ASN 200 Ca -0.22 2.61 -0.24 0.00 -2.14 0.00 0.00 52.86 52.88 3aig s ASN 200 Cb 0.06 -2.64 -0.03 0.00 1.28 0.00 0.00 41.25 39.92 3aig s ASN 200 CO 0.75 -0.48 0.74 -0.75 -2.04 0.00 0.00 177.10 175.32 3aig s LYS 201 N -1.64 4.33 0.00 3.55 2.20 -1.26 -4.59 119.74 122.34 3aig s LYS 201 Ca 0.49 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.97 3aig s LYS 201 Cb -0.38 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 3aig s LYS 201 CO 0.50 -0.15 0.09 -2.30 -0.36 0.00 0.00 175.35 173.13