#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aig s LEU 3 N 0.00 4.35 0.70 1.20 1.43 -1.26 -5.03 118.68 120.08 2aig s LEU 3 Ca 0.00 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.14 2aig s LEU 3 Cb 0.00 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.66 2aig s LEU 3 CO 0.00 -0.61 1.08 -2.16 0.23 0.00 0.00 176.35 174.89 2aig s PRO 4 N 1.48 2.87 -0.23 1.29 0.04 -1.26 -4.82 135.00 134.38 2aig s PRO 4 Ca 0.62 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 2aig s PRO 4 Cb -0.33 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2aig s PRO 4 CO 0.29 -1.05 1.36 -1.14 0.04 0.00 0.00 177.00 176.50 2aig s GLN 5 N -5.26 4.02 0.25 4.56 2.00 -1.26 -4.67 119.66 119.29 2aig s GLN 5 Ca 0.58 1.51 0.07 0.00 -2.00 0.00 0.00 55.36 55.53 2aig s GLN 5 Cb -0.12 -3.87 -0.05 0.00 0.80 0.00 0.00 33.01 29.76 2aig s GLN 5 CO 0.53 -1.00 -0.10 1.03 -0.50 0.00 0.00 175.29 175.25 2aig s ARG 6 N 4.02 1.46 -0.01 1.67 1.81 -0.47 -4.94 118.95 122.49 2aig s ARG 6 Ca 0.59 -1.70 0.00 0.00 -1.72 0.00 0.00 55.73 52.91 2aig s ARG 6 Cb -0.21 -1.17 0.02 0.00 -0.45 0.00 0.00 34.95 33.14 2aig s ARG 6 CO 0.22 0.12 0.01 0.71 -0.68 0.00 0.00 175.30 175.68 2aig s TYR 7 N -2.97 0.07 -0.19 -0.53 1.51 -0.60 -1.62 117.35 113.03 2aig s TYR 7 Ca 0.26 0.06 -0.01 0.00 -1.01 0.00 0.00 57.07 56.37 2aig s TYR 7 Cb 0.01 -0.18 -0.00 0.00 -0.11 0.00 0.00 41.96 41.68 2aig s TYR 7 CO 0.10 -0.06 -0.12 0.42 -1.11 0.00 0.00 175.55 174.78 2aig s ILE 8 N 0.66 2.84 -0.54 2.71 1.01 -0.99 -4.48 121.20 122.41 2aig s ILE 8 Ca -0.06 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 2aig s ILE 8 Cb -0.08 -2.24 0.09 0.00 0.01 0.00 0.00 42.46 40.23 2aig s ILE 8 CO -0.02 0.48 0.62 -1.61 0.00 0.00 0.00 174.94 174.42 2aig s GLU 9 N 1.15 3.06 -0.05 2.79 2.02 -1.26 -1.24 118.70 125.17 2aig s GLU 9 Ca 0.01 -1.19 -0.10 0.00 0.02 0.00 0.00 54.97 53.71 2aig s GLU 9 Cb -0.14 -4.19 -0.05 0.00 0.10 0.00 0.00 34.13 29.85 2aig s GLU 9 CO -0.04 -1.35 0.26 -1.17 0.02 0.00 0.00 175.26 172.98 2aig s LEU 10 N 2.46 4.42 -0.12 1.80 2.96 0.24 -0.95 118.68 129.50 2aig s LEU 10 Ca 0.11 0.67 0.03 0.00 -0.22 0.00 0.00 54.13 54.72 2aig s LEU 10 Cb -0.23 -2.37 -0.00 0.00 0.50 0.00 0.00 46.19 44.10 2aig s LEU 10 CO 0.08 0.35 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.56 2aig s VAL 11 N -1.10 2.27 -0.06 1.68 1.01 -1.01 0.13 120.40 123.32 2aig s VAL 11 Ca 0.20 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2aig s VAL 11 Cb -0.14 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 2aig s VAL 11 CO 0.09 0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 174.95 2aig s VAL 12 N 0.49 3.40 -0.10 2.92 1.01 -1.10 -1.32 120.40 125.71 2aig s VAL 12 Ca -0.14 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2aig s VAL 12 Cb -0.17 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.85 2aig s VAL 12 CO 0.05 0.59 -0.16 -0.69 0.00 0.00 0.00 175.10 174.90 2aig s VAL 13 N -0.71 1.51 -0.19 2.92 1.01 -0.78 -0.05 120.40 124.11 2aig s VAL 13 Ca 0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2aig s VAL 13 Cb -0.11 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2aig s VAL 13 CO 0.01 0.44 -0.05 0.00 0.00 0.00 0.00 175.10 175.51 2aig s ALA 14 N 0.92 2.85 1.00 5.51 0.00 0.12 0.23 121.76 132.38 2aig s ALA 14 Ca -0.08 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 2aig s ALA 14 Cb -0.15 -1.61 0.22 0.00 0.00 0.00 0.00 23.12 21.57 2aig s ALA 14 CO -0.00 -0.17 1.30 0.16 0.00 0.00 0.00 175.76 177.04 2aig s ASP 15 N 1.04 2.76 0.25 0.00 -4.77 -1.03 -0.67 116.67 114.25 2aig s ASP 15 Ca 0.01 0.30 -0.03 0.00 -3.30 0.00 0.00 52.55 49.53 2aig s ASP 15 Cb -0.15 -0.36 0.44 0.00 -1.09 0.00 0.00 42.92 41.76 2aig s ASP 15 CO 0.00 -2.95 1.80 0.03 0.70 0.00 0.00 175.17 174.75 2aig h ARG 16 N -1.79 0.76 -0.88 2.11 3.08 -1.89 -1.35 114.38 114.41 2aig h ARG 16 Ca -0.44 -0.05 0.11 0.00 0.07 0.00 0.00 59.98 59.67 2aig h ARG 16 Cb 1.24 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 2aig h ARG 16 CO 0.37 0.50 0.57 0.00 -1.07 0.00 0.00 179.97 180.33 2aig h ARG 17 N 0.78 0.79 0.00 0.04 3.08 -1.93 0.41 114.38 117.55 2aig h ARG 17 Ca 0.42 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.30 2aig h ARG 17 Cb 0.43 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2aig h ARG 17 CO -0.27 0.52 -0.57 0.28 -1.07 0.00 0.00 179.97 178.87 2aig h VAL 18 N 0.82 1.22 0.24 2.04 2.07 -1.58 -0.17 116.25 120.88 2aig h VAL 18 Ca 0.41 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2aig h VAL 18 Cb 0.49 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2aig h VAL 18 CO -0.18 0.55 -0.12 0.15 0.02 0.00 0.00 177.57 178.00 2aig h PHE 19 N 0.00 -0.30 -0.23 1.57 3.57 0.33 -2.67 116.94 119.21 2aig h PHE 19 Ca -0.01 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2aig h PHE 19 Cb 1.13 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 2aig h PHE 19 CO 0.00 0.07 0.12 0.52 -2.23 0.00 0.00 178.31 176.78 2aig h MET 20 N -0.78 0.32 -1.00 1.11 2.86 -0.39 0.11 114.93 117.15 2aig h MET 20 Ca -0.03 -0.04 0.24 0.00 -2.06 0.00 0.00 59.70 57.80 2aig h MET 20 Cb 0.51 -0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.01 2aig h MET 20 CO 0.05 0.32 0.64 -0.22 1.06 0.00 0.00 176.91 178.76 2aig h LYS 21 N 0.25 0.47 -1.68 1.72 3.64 -1.08 -1.38 116.57 118.51 2aig h LYS 21 Ca 0.08 -0.03 -0.72 0.00 -1.27 0.00 0.00 60.65 58.71 2aig h LYS 21 Cb 0.10 -0.11 -0.30 0.00 -0.41 0.00 0.00 32.23 31.51 2aig h LYS 21 CO -0.01 0.31 0.71 0.66 -2.27 0.00 0.00 179.45 178.85 2aig n TYR 22 N -4.65 3.08 -2.70 1.91 4.01 -1.01 -4.88 117.16 112.92 2aig n TYR 22 Ca 0.24 -2.57 -0.11 0.00 -0.16 0.00 0.00 57.90 55.30 2aig n TYR 22 Cb 0.77 -1.06 -0.01 0.00 -0.31 0.00 0.00 39.34 38.74 2aig n TYR 22 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2aig n ASN 23 N -0.62 -2.80 -2.10 7.72 5.15 -0.52 -0.92 115.26 121.17 2aig n ASN 23 Ca 0.53 0.14 -0.21 0.00 -0.60 0.00 0.00 54.58 54.45 2aig n ASN 23 Cb 0.41 -2.42 -0.04 0.00 -0.53 0.00 0.00 39.78 37.20 2aig n ASN 23 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2aig n SER 24 N -1.81 -5.76 -4.63 1.20 7.64 0.35 -4.95 113.62 105.65 2aig n SER 24 Ca -0.06 0.16 -0.39 0.00 1.01 0.00 0.00 58.87 59.59 2aig n SER 24 Cb 0.56 -4.88 -0.08 0.00 -1.01 0.00 0.00 64.21 58.80 2aig n SER 24 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2aig s ASP 25 N -2.31 6.37 -0.07 6.43 -1.08 -0.10 -4.98 116.67 120.94 2aig s ASP 25 Ca 0.00 0.44 -0.26 0.00 -0.52 0.00 0.00 52.55 52.21 2aig s ASP 25 Cb 0.00 -2.24 -0.21 0.00 -1.46 0.00 0.00 42.92 39.01 2aig s ASP 25 CO 0.00 -0.17 1.01 0.25 0.52 0.00 0.00 175.17 176.78 2aig h LEU 26 N 8.28 -0.04 -1.10 -1.34 7.12 -1.92 -2.97 115.31 123.34 2aig h LEU 26 Ca -0.33 -0.62 0.05 0.00 0.13 0.00 0.00 57.88 57.12 2aig h LEU 26 Cb 1.16 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 41.24 2aig h LEU 26 CO 0.69 0.63 0.61 0.78 -0.13 0.00 0.00 178.44 181.02 2aig h ASN 27 N -0.73 0.98 -0.11 1.25 -0.26 -1.99 -0.70 115.58 114.01 2aig h ASN 27 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 2aig h ASN 27 Cb 0.65 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 2aig h ASN 27 CO 0.01 0.65 0.05 0.40 -1.06 0.00 0.00 177.43 177.47 2aig h ILE 28 N 1.12 1.15 -0.83 2.81 1.08 -1.94 -1.16 117.51 119.74 2aig h ILE 28 Ca 0.39 -0.44 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 2aig h ILE 28 Cb 0.12 1.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.06 2aig h ILE 28 CO -0.14 0.13 0.42 0.40 -0.69 0.00 0.00 178.15 178.28 2aig h ILE 29 N 0.03 1.25 -0.60 -0.67 2.04 -1.31 -1.87 117.51 116.38 2aig h ILE 29 Ca 0.04 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 2aig h ILE 29 Cb 0.17 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 2aig h ILE 29 CO -0.00 0.29 0.29 0.03 0.00 0.00 0.00 178.15 178.76 2aig h ARG 30 N 1.18 0.87 -0.29 2.37 3.08 -0.88 -1.62 114.38 119.08 2aig h ARG 30 Ca 0.29 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 2aig h ARG 30 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2aig h ARG 30 CO -0.04 0.71 0.12 1.15 -1.07 0.00 0.00 179.97 180.84 2aig h THR 31 N 0.83 1.18 -0.73 2.04 2.02 -0.91 -1.10 112.91 116.23 2aig h THR 31 Ca 0.21 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.86 2aig h THR 31 Cb 0.13 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2aig h THR 31 CO -0.03 0.18 0.48 -0.09 0.37 0.00 0.00 175.52 176.44 2aig h ARG 32 N 0.33 0.96 -0.15 6.66 2.43 -1.17 0.34 114.38 123.78 2aig h ARG 32 Ca 0.10 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2aig h ARG 32 Cb 0.18 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 2aig h ARG 32 CO -0.01 0.63 -0.06 0.28 -1.51 0.00 0.00 179.97 179.31 2aig h VAL 33 N 0.99 1.31 -0.34 0.20 2.07 -1.23 -2.38 116.25 116.86 2aig h VAL 33 Ca 0.27 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 2aig h VAL 33 Cb -0.11 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2aig h VAL 33 CO -0.06 0.31 0.18 0.45 0.02 0.00 0.00 177.57 178.47 2aig h HIS 34 N -0.03 0.45 0.00 1.57 3.86 -0.89 0.17 115.15 120.27 2aig h HIS 34 Ca 0.03 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.17 2aig h HIS 34 Cb 0.51 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2aig h HIS 34 CO 0.06 0.32 -0.33 0.93 0.86 0.00 0.00 177.93 179.77 2aig h GLU 35 N 0.47 0.00 0.01 2.45 5.08 -0.85 -2.86 114.58 118.88 2aig h GLU 35 Ca 0.12 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.22 2aig h GLU 35 Cb 0.02 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.29 2aig h GLU 35 CO -0.02 0.33 -1.04 0.82 -1.00 0.00 0.00 179.01 178.10 2aig h ILE 36 N 0.00 1.32 -0.64 3.13 2.04 -0.48 -2.90 117.51 119.98 2aig h ILE 36 Ca -0.00 -2.34 -0.06 0.00 1.00 0.00 0.00 64.86 63.46 2aig h ILE 36 Cb 1.00 2.43 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 2aig h ILE 36 CO 0.04 0.71 0.16 0.58 0.00 0.00 0.00 178.15 179.65 2aig h VAL 37 N 0.33 1.25 -0.66 1.67 2.07 -1.13 -1.07 116.25 118.71 2aig h VAL 37 Ca -0.12 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2aig h VAL 37 Cb 1.69 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2aig h VAL 37 CO 0.20 0.34 0.33 0.78 0.02 0.00 0.00 177.57 179.24 2aig h ASN 38 N 0.96 0.84 -0.12 0.57 2.35 -1.52 -0.74 115.58 117.92 2aig h ASN 38 Ca 0.21 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2aig h ASN 38 Cb 0.33 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 2aig h ASN 38 CO -0.00 0.72 -0.00 0.40 -1.65 0.00 0.00 177.43 176.90 2aig h ILE 39 N 0.90 1.25 -0.82 2.81 2.04 -1.26 -2.64 117.51 119.79 2aig h ILE 39 Ca 0.23 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.35 2aig h ILE 39 Cb 0.09 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 2aig h ILE 39 CO -0.03 0.24 0.54 0.40 0.00 0.00 0.00 178.15 179.29 2aig h ILE 40 N -0.06 0.99 -0.78 -0.67 2.04 -1.03 -1.01 117.51 116.99 2aig h ILE 40 Ca 0.03 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 2aig h ILE 40 Cb 0.37 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2aig h ILE 40 CO 0.01 0.15 0.29 0.78 0.00 0.00 0.00 178.15 179.38 2aig h ASN 41 N 0.83 1.09 -0.66 1.72 2.35 -0.91 -0.88 115.58 119.11 2aig h ASN 41 Ca 0.37 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2aig h ASN 41 Cb 0.35 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 2aig h ASN 41 CO -0.14 0.98 0.42 -0.33 -1.65 0.00 0.00 177.43 176.71 2aig h GLU 42 N 1.14 0.88 0.14 0.81 5.08 -0.86 -2.09 114.58 119.69 2aig h GLU 42 Ca 0.26 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2aig h GLU 42 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2aig h GLU 42 CO -0.02 0.60 -0.14 0.74 -1.00 0.00 0.00 179.01 179.19 2aig h PHE 43 N 0.89 -0.36 -0.01 4.33 0.04 -0.59 -3.02 116.94 118.22 2aig h PHE 43 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 2aig h PHE 43 Cb -0.07 0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.22 2aig h PHE 43 CO -0.02 -0.22 0.00 0.66 -0.60 0.00 0.00 178.31 178.13 2aig n TYR 44 N -5.26 0.01 0.27 -0.55 4.02 -0.41 -3.90 117.16 111.33 2aig n TYR 44 Ca -0.08 -0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.91 2aig n TYR 44 Cb 0.18 0.00 0.70 0.00 -0.02 0.00 0.00 39.34 40.20 2aig n TYR 44 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 176.86 175.76 2aig h ARG 45 N 0.31 0.00 0.00 -0.72 2.43 -1.24 -0.86 114.38 114.30 2aig h ARG 45 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2aig h ARG 45 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2aig h ARG 45 CO 0.00 0.02 0.00 0.66 -1.51 0.00 0.00 179.97 179.14 2aig h SER 46 N 0.00 0.00 -0.31 -3.80 4.64 -1.79 -3.05 113.55 109.24 2aig h SER 46 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aig h SER 46 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2aig h SER 46 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2aig n LEU 47 N -2.65 4.10 -1.90 5.97 4.32 -0.35 -4.95 117.00 121.54 2aig n LEU 47 Ca 0.03 -2.95 -0.15 0.00 -0.02 0.00 0.00 56.01 52.92 2aig n LEU 47 Cb 0.36 -0.55 -0.04 0.00 -1.62 0.00 0.00 43.42 41.57 2aig n LEU 47 CO 0.27 0.67 -0.17 0.59 -1.22 0.00 0.00 177.39 177.53 2aig n ASN 48 N -0.28 -4.32 -4.67 -1.43 4.13 -1.15 -4.79 115.26 102.75 2aig n ASN 48 Ca 0.22 0.26 -0.36 0.00 1.68 0.00 0.00 54.58 56.38 2aig n ASN 48 Cb 0.91 -3.80 -0.09 0.00 -1.54 0.00 0.00 39.78 35.26 2aig n ASN 48 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2aig s ILE 49 N -2.52 5.28 -0.36 2.41 1.01 -1.07 -1.36 121.20 124.59 2aig s ILE 49 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 2aig s ILE 49 Cb 0.00 -3.44 0.08 0.00 0.01 0.00 0.00 42.46 39.11 2aig s ILE 49 CO 0.00 0.38 0.12 -0.60 0.00 0.00 0.00 174.94 174.84 2aig s ARG 50 N 0.82 2.29 -0.20 2.79 3.00 -0.64 -4.26 118.95 122.75 2aig s ARG 50 Ca 0.07 -1.50 -0.21 0.00 -1.00 0.00 0.00 55.73 53.09 2aig s ARG 50 Cb -0.13 -3.44 -0.02 0.00 0.00 0.00 0.00 34.95 31.36 2aig s ARG 50 CO 0.02 -0.84 0.65 0.08 0.00 0.00 0.00 175.30 175.21 2aig s VAL 51 N 1.24 5.01 -0.06 7.11 1.01 -1.26 -2.36 120.40 131.09 2aig s VAL 51 Ca 0.02 1.22 0.05 0.00 0.00 0.00 0.00 61.98 63.27 2aig s VAL 51 Cb -0.21 -3.96 -0.00 0.00 0.00 0.00 0.00 36.38 32.20 2aig s VAL 51 CO -0.02 0.10 -0.22 -0.94 0.00 0.00 0.00 175.10 174.03 2aig s SER 52 N 1.21 2.71 -0.40 3.32 1.04 -0.37 -4.88 113.70 116.32 2aig s SER 52 Ca 0.29 -0.46 -0.29 0.00 0.48 0.00 0.00 55.95 55.98 2aig s SER 52 Cb -0.16 -0.90 0.01 0.00 0.10 0.00 0.00 66.02 65.08 2aig s SER 52 CO 0.10 0.18 1.29 -0.22 0.98 0.00 0.00 173.24 175.58 2aig s LEU 53 N 0.07 3.68 0.06 2.42 2.96 -1.26 -0.59 118.68 126.02 2aig s LEU 53 Ca -0.08 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 54.62 2aig s LEU 53 Cb -0.14 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.73 2aig s LEU 53 CO 0.04 -1.28 1.08 0.74 -1.32 0.00 0.00 176.35 175.61 2aig h THR 54 N 6.26 1.42 -2.95 3.68 2.02 -0.63 -3.47 112.91 119.24 2aig h THR 54 Ca -0.26 -3.02 -0.03 0.00 0.77 0.00 0.00 66.41 63.87 2aig h THR 54 Cb 1.09 2.89 -0.13 0.00 -1.74 0.00 0.00 68.15 70.26 2aig h THR 54 CO 1.08 0.88 0.16 -0.62 0.37 0.00 0.00 175.52 177.39 2aig s ASP 55 N -7.06 -0.53 -0.11 4.18 2.15 -1.24 -5.04 116.67 109.02 2aig s ASP 55 Ca -0.05 0.03 -0.01 0.00 0.43 0.00 0.00 52.55 52.95 2aig s ASP 55 Cb 0.07 0.57 0.03 0.00 -0.30 0.00 0.00 42.92 43.30 2aig s ASP 55 CO 0.87 -0.91 -0.02 -0.22 -0.17 0.00 0.00 175.17 174.72 2aig s LEU 56 N -2.57 0.94 -0.20 -1.34 2.96 -1.26 -2.69 118.68 114.52 2aig s LEU 56 Ca -0.00 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.54 2aig s LEU 56 Cb -0.01 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 46.02 2aig s LEU 56 CO -0.10 -0.18 0.05 -1.61 -1.32 0.00 0.00 176.35 173.19 2aig s GLU 57 N 1.84 3.85 -0.20 1.98 0.41 0.93 -5.00 118.70 122.50 2aig s GLU 57 Ca 0.04 -0.40 0.01 0.00 -0.41 0.00 0.00 54.97 54.20 2aig s GLU 57 Cb -0.13 -3.21 0.04 0.00 -1.78 0.00 0.00 34.13 29.05 2aig s GLU 57 CO -0.07 0.14 -0.11 0.42 -0.49 0.00 0.00 175.26 175.15 2aig s ILE 58 N 0.72 1.74 -1.31 -1.63 1.01 -1.26 0.11 121.20 120.59 2aig s ILE 58 Ca 0.03 -1.06 -0.15 0.00 0.00 0.00 0.00 60.65 59.46 2aig s ILE 58 Cb -0.13 -1.79 0.10 0.00 0.01 0.00 0.00 42.46 40.65 2aig s ILE 58 CO 0.02 0.19 1.78 0.79 0.00 0.00 0.00 174.94 177.72 2aig n TRP 59 N 4.65 4.31 0.09 3.97 8.01 0.15 -4.72 117.44 133.90 2aig n TRP 59 Ca -0.15 -2.99 -0.06 0.00 -1.31 0.00 0.00 57.50 52.99 2aig n TRP 59 Cb 0.46 -2.43 0.02 0.00 -2.01 0.00 0.00 31.31 27.36 2aig n TRP 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 2aig h SER 60 N 6.92 0.09 0.00 -0.99 4.64 -1.90 -3.13 113.55 119.18 2aig h SER 60 Ca 0.43 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2aig h SER 60 Cb 0.79 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2aig h SER 60 CO 1.51 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 178.95 2aig n GLY 61 N 0.79 1.50 3.25 -0.77 0.00 -1.26 -5.03 105.19 103.67 2aig n GLY 61 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2aig n GLY 61 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2aig s GLN 62 N 0.00 1.14 0.37 1.61 -2.07 -1.26 -5.03 119.66 114.42 2aig s GLN 62 Ca 0.00 -1.56 -0.22 0.00 -1.82 0.00 0.00 55.36 51.77 2aig s GLN 62 Cb 0.00 -0.25 -0.10 0.00 -1.09 0.00 0.00 33.01 31.57 2aig s GLN 62 CO 0.00 -0.16 0.90 -0.51 -1.32 0.00 0.00 175.29 174.21 2aig s ASP 63 N -3.19 7.04 0.00 12.60 1.01 -1.26 -4.83 116.67 128.04 2aig s ASP 63 Ca 0.26 1.66 0.21 0.00 0.71 0.00 0.00 52.55 55.38 2aig s ASP 63 Cb 0.06 -2.52 0.57 0.00 1.01 0.00 0.00 42.92 42.05 2aig s ASP 63 CO 0.05 -0.23 1.48 0.49 0.21 0.00 0.00 175.17 177.17 2aig n PHE 64 N -0.17 0.85 -3.83 4.23 3.72 -1.26 -4.89 117.46 116.11 2aig n PHE 64 Ca 0.04 -0.47 -0.10 0.00 -0.05 0.00 0.00 57.45 56.87 2aig n PHE 64 Cb 0.53 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.98 2aig n PHE 64 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2aig s ILE 65 N -1.06 0.11 -0.55 4.37 -4.36 -1.26 -5.02 121.20 113.44 2aig s ILE 65 Ca 0.44 -0.90 -0.23 0.00 -0.26 0.00 0.00 60.65 59.71 2aig s ILE 65 Cb 0.23 -0.96 0.05 0.00 1.25 0.00 0.00 42.46 43.03 2aig s ILE 65 CO 0.31 -0.49 0.86 -0.89 0.24 0.00 0.00 174.94 174.97 2aig s THR 66 N -2.71 4.51 -0.29 8.37 2.01 -1.26 -4.99 115.64 121.28 2aig s THR 66 Ca -0.04 0.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 2aig s THR 66 Cb -0.00 -4.49 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 2aig s THR 66 CO -0.05 -1.06 1.90 -0.63 -0.69 0.00 0.00 174.62 174.09 2aig s ILE 67 N 3.63 3.36 0.29 1.82 -1.09 -1.26 -4.80 121.20 123.14 2aig s ILE 67 Ca 0.26 0.37 0.08 0.00 -2.23 0.00 0.00 60.65 59.13 2aig s ILE 67 Cb -0.14 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 2aig s ILE 67 CO 0.17 -0.30 0.19 -1.10 -1.23 0.00 0.00 174.94 172.67 2aig s GLN 68 N 5.77 2.73 0.19 2.79 -0.21 -1.26 -5.02 119.66 124.66 2aig s GLN 68 Ca 0.85 -1.22 -0.02 0.00 0.02 0.00 0.00 55.36 54.99 2aig s GLN 68 Cb -0.25 -2.45 0.11 0.00 1.00 0.00 0.00 33.01 31.41 2aig s GLN 68 CO 0.34 0.28 1.49 0.66 -2.12 0.00 0.00 175.29 175.93 2aig h SER 69 N 1.47 0.56 -1.51 5.90 4.64 -1.93 -3.40 113.55 119.28 2aig h SER 69 Ca -0.46 -0.32 -0.41 0.00 -0.47 0.00 0.00 61.79 60.13 2aig h SER 69 Cb 1.25 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2aig h SER 69 CO 0.60 1.03 1.27 -0.55 -0.87 0.00 0.00 176.83 178.32 2aig s SER 70 N -6.94 4.70 0.45 4.97 0.15 -1.26 -2.12 113.70 113.65 2aig s SER 70 Ca -0.07 0.56 0.14 0.00 0.70 0.00 0.00 55.95 57.28 2aig s SER 70 Cb 0.11 -2.52 1.05 0.00 -1.71 0.00 0.00 66.02 62.95 2aig s SER 70 CO 0.84 -2.83 2.00 0.77 1.20 0.00 0.00 173.24 175.22 2aig h SER 71 N 16.55 0.32 -0.12 5.45 4.64 -1.91 -1.20 113.55 137.29 2aig h SER 71 Ca -0.19 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2aig h SER 71 Cb 1.18 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2aig h SER 71 CO 1.17 0.20 0.07 0.28 -0.87 0.00 0.00 176.83 177.68 2aig h SER 72 N 0.36 0.15 0.01 4.97 0.02 -1.95 -0.29 113.55 116.83 2aig h SER 72 Ca 0.24 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2aig h SER 72 Cb 0.46 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2aig h SER 72 CO -0.06 0.18 -0.01 0.78 -1.14 0.00 0.00 176.83 176.59 2aig h ASN 73 N 0.11 -0.01 -0.73 3.07 4.21 -1.66 -0.83 115.58 119.75 2aig h ASN 73 Ca 0.04 -0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.55 2aig h ASN 73 Cb 0.06 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.23 2aig h ASN 73 CO -0.01 0.01 0.48 0.74 -1.29 0.00 0.00 177.43 177.36 2aig h THR 74 N -0.03 1.18 -0.66 2.81 2.02 -1.17 0.62 112.91 117.68 2aig h THR 74 Ca -0.00 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2aig h THR 74 Cb 0.03 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.52 2aig h THR 74 CO 0.00 0.18 0.34 0.25 0.37 0.00 0.00 175.52 176.66 2aig h LEU 75 N 0.98 0.83 -0.33 2.58 5.85 -0.82 0.58 115.31 124.98 2aig h LEU 75 Ca 0.27 -0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 2aig h LEU 75 Cb -0.10 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 2aig h LEU 75 CO -0.06 0.69 -0.16 -1.13 -0.34 0.00 0.00 178.44 177.43 2aig h ASN 76 N 0.93 0.71 -0.13 1.25 -0.73 0.00 -1.97 115.58 115.65 2aig h ASN 76 Ca 0.23 -0.41 -0.02 0.00 1.87 0.00 0.00 56.30 57.98 2aig h ASN 76 Cb 0.06 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.45 2aig h ASN 76 CO -0.03 0.96 0.01 0.28 -0.37 0.00 0.00 177.43 178.28 2aig h SER 77 N 0.46 0.21 -0.20 1.15 0.02 -0.44 -2.69 113.55 112.06 2aig h SER 77 Ca 0.07 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2aig h SER 77 Cb 0.70 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2aig h SER 77 CO 0.05 0.45 0.14 0.15 -1.14 0.00 0.00 176.83 176.48 2aig h PHE 78 N -0.04 0.17 -0.00 3.45 3.57 -0.92 -1.21 116.94 121.97 2aig h PHE 78 Ca 0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2aig h PHE 78 Cb 0.34 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2aig h PHE 78 CO 0.03 0.10 0.00 0.78 -2.23 0.00 0.00 178.31 176.99 2aig h GLY 79 N 0.18 0.00 0.97 2.40 0.00 -1.08 -1.92 103.07 103.62 2aig h GLY 79 Ca 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 2aig h GLY 79 CO -0.01 0.00 0.23 -2.09 0.00 0.00 0.00 176.54 174.67 2aig h GLU 80 N -0.21 0.63 -0.23 4.80 4.22 -1.07 -2.84 114.58 119.88 2aig h GLU 80 Ca 0.00 -0.08 0.03 0.00 0.08 0.00 0.00 59.36 59.39 2aig h GLU 80 Cb 0.21 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 2aig h GLU 80 CO -0.00 0.52 0.04 2.35 -2.18 0.00 0.00 179.01 179.74 2aig h TRP 81 N 0.58 0.07 -1.00 0.92 7.01 -1.24 -0.98 115.95 121.32 2aig h TRP 81 Ca 0.16 0.01 0.12 0.00 2.11 0.00 0.00 58.89 61.29 2aig h TRP 81 Cb 0.08 0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 27.06 2aig h TRP 81 CO -0.02 0.02 0.62 -0.09 -2.79 0.00 0.00 178.44 176.19 2aig h ARG 82 N 0.13 0.94 0.02 2.65 2.43 -1.15 0.34 114.38 119.75 2aig h ARG 82 Ca 0.11 -0.06 -0.27 0.00 -0.81 0.00 0.00 59.98 58.95 2aig h ARG 82 Cb 0.11 -0.21 0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2aig h ARG 82 CO -0.14 0.63 -1.08 1.49 -1.51 0.00 0.00 179.97 179.35 2aig h GLU 83 N 0.97 0.69 0.08 0.20 4.81 -1.23 0.62 114.58 120.73 2aig h GLU 83 Ca 0.50 -0.77 -0.29 0.00 -0.13 0.00 0.00 59.36 58.67 2aig h GLU 83 Cb 0.51 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2aig h GLU 83 CO -0.27 1.34 -1.47 -0.09 -0.73 0.00 0.00 179.01 177.78 2aig h ARG 84 N 0.38 0.18 0.00 1.92 2.43 -0.85 -3.40 114.38 115.04 2aig h ARG 84 Ca -0.14 -0.30 -0.14 0.00 -0.81 0.00 0.00 59.98 58.59 2aig h ARG 84 Cb 1.74 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.38 2aig h ARG 84 CO 0.21 1.01 -1.25 0.28 -1.51 0.00 0.00 179.97 178.72 2aig n VAL 85 N -3.38 1.11 -0.03 0.20 0.31 0.12 -4.71 118.33 111.95 2aig n VAL 85 Ca -0.14 0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.06 2aig n VAL 85 Cb 1.03 -1.86 -0.01 0.00 -0.91 0.00 0.00 33.84 32.08 2aig n VAL 85 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2aig h LEU 86 N -0.56 0.84 -1.35 7.52 5.85 -1.39 -3.30 115.31 122.91 2aig h LEU 86 Ca -0.21 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 2aig h LEU 86 Cb 0.97 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2aig h LEU 86 CO -0.13 1.25 -0.19 0.25 -0.34 0.00 0.00 178.44 179.28 2aig h LEU 87 N 0.55 0.00 -1.14 2.25 5.85 0.05 -2.90 115.31 119.96 2aig h LEU 87 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2aig h LEU 87 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 2aig h LEU 87 CO 0.13 0.19 0.00 0.71 -0.34 0.00 0.00 178.44 179.12 2aig h THR 88 N 0.00 0.00 -0.45 1.05 1.35 -1.79 -3.44 112.91 109.63 2aig h THR 88 Ca -0.00 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2aig h THR 88 Cb 0.63 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2aig h THR 88 CO 0.02 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.83 2aig n ARG 89 N -2.89 3.52 -1.51 4.72 5.12 -1.10 -5.01 116.66 119.51 2aig n ARG 89 Ca 0.01 0.00 -0.57 0.00 -1.93 0.00 0.00 57.85 55.36 2aig n ARG 89 Cb 0.31 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.54 2aig n ARG 89 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2aig n LYS 90 N 0.00 0.23 -1.70 5.56 4.81 -1.26 -4.87 118.16 120.93 2aig n LYS 90 Ca 0.00 0.08 -0.44 0.00 -0.87 0.00 0.00 58.31 57.09 2aig n LYS 90 Cb 0.00 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.45 2aig n LYS 90 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2aig n ARG 91 N 1.65 2.38 -3.47 1.64 0.63 -1.26 -4.88 116.66 113.36 2aig n ARG 91 Ca 0.19 0.85 -0.14 0.00 -0.92 0.00 0.00 57.85 57.83 2aig n ARG 91 Cb 0.11 -2.60 -0.04 0.00 0.45 0.00 0.00 32.46 30.39 2aig n ARG 91 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 2aig s HIS 92 N 0.28 -0.58 -0.17 -0.14 -3.43 -1.26 -5.01 115.29 104.99 2aig s HIS 92 Ca 0.69 0.66 0.09 0.00 -0.80 0.00 0.00 55.06 55.70 2aig s HIS 92 Cb -0.58 0.49 -0.23 0.00 -1.43 0.00 0.00 32.58 30.84 2aig s HIS 92 CO 0.45 -0.72 0.16 -0.25 -2.00 0.00 0.00 174.74 172.38 2aig n ASP 93 N 0.19 1.05 -4.15 7.38 8.00 -0.12 -4.98 116.55 123.92 2aig n ASP 93 Ca -0.17 0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.31 2aig n ASP 93 Cb 0.61 0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.72 2aig n ASP 93 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2aig s ASN 94 N -6.14 0.21 -0.12 -2.24 3.84 -1.09 -4.00 114.94 105.41 2aig s ASN 94 Ca -0.17 -1.24 -0.05 0.00 0.21 0.00 0.00 52.86 51.60 2aig s ASN 94 Cb 0.07 0.35 0.05 0.00 -0.55 0.00 0.00 41.25 41.18 2aig s ASN 94 CO 0.76 -0.80 0.26 0.00 -2.79 0.00 0.00 177.10 174.53 2aig s ALA 95 N -4.08 -0.58 -0.10 1.71 0.00 -1.20 -2.40 121.76 115.11 2aig s ALA 95 Ca 0.29 1.00 0.03 0.00 0.00 0.00 0.00 51.96 53.29 2aig s ALA 95 Cb 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2aig s ALA 95 CO 0.06 -0.35 -0.22 -0.65 0.00 0.00 0.00 175.76 174.60 2aig s GLN 96 N 1.66 2.87 0.19 0.00 -1.52 -0.43 -2.43 119.66 119.99 2aig s GLN 96 Ca -0.06 -0.81 -0.07 0.00 -1.95 0.00 0.00 55.36 52.47 2aig s GLN 96 Cb -0.11 -2.21 -0.06 0.00 -0.22 0.00 0.00 33.01 30.41 2aig s GLN 96 CO -0.09 0.12 0.46 -1.17 -0.25 0.00 0.00 175.29 174.37 2aig s LEU 97 N 0.48 4.22 -0.19 2.90 2.96 -0.55 -1.86 118.68 126.64 2aig s LEU 97 Ca -0.16 0.75 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 2aig s LEU 97 Cb -0.17 -3.50 0.05 0.00 0.50 0.00 0.00 46.19 43.07 2aig s LEU 97 CO 0.06 -0.01 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.83 2aig s LEU 98 N -2.75 1.70 0.36 -0.68 2.96 0.14 -0.74 118.68 119.67 2aig s LEU 98 Ca 0.44 -0.81 0.06 0.00 -0.22 0.00 0.00 54.13 53.61 2aig s LEU 98 Cb -0.12 -0.88 -0.07 0.00 0.50 0.00 0.00 46.19 45.62 2aig s LEU 98 CO 0.23 -0.23 0.00 0.28 -1.32 0.00 0.00 176.35 175.31 2aig s THR 99 N 1.64 1.75 -0.10 3.68 -1.32 -0.79 -2.46 115.64 118.03 2aig s THR 99 Ca -0.01 -2.04 0.14 0.00 -1.21 0.00 0.00 61.69 58.56 2aig s THR 99 Cb -0.16 -2.82 0.25 0.00 -1.51 0.00 0.00 72.50 68.26 2aig s THR 99 CO -0.07 -0.07 1.13 0.00 -2.21 0.00 0.00 174.62 173.40 2aig n ALA 100 N -0.81 2.44 -2.14 11.08 0.00 -1.26 0.17 120.51 129.99 2aig n ALA 100 Ca -0.04 -2.34 -0.38 0.00 0.00 0.00 0.00 53.44 50.67 2aig n ALA 100 Cb 0.66 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.62 2aig n ALA 100 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2aig s ILE 101 N -2.05 4.58 -0.73 0.00 2.07 -1.26 -4.98 121.20 118.84 2aig s ILE 101 Ca 0.26 1.37 -0.27 0.00 -1.41 0.00 0.00 60.65 60.60 2aig s ILE 101 Cb 0.24 -3.96 0.02 0.00 0.13 0.00 0.00 42.46 38.89 2aig s ILE 101 CO -0.01 0.45 1.40 0.20 -1.91 0.00 0.00 174.94 175.07 2aig s ASN 102 N -1.27 6.00 0.58 4.50 -0.87 -1.26 -4.96 114.94 117.66 2aig s ASN 102 Ca 0.35 -0.34 -0.20 0.00 -1.57 0.00 0.00 52.86 51.10 2aig s ASN 102 Cb -0.20 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.44 2aig s ASN 102 CO 0.22 -1.94 1.28 -0.36 -2.57 0.00 0.00 177.10 173.73 2aig s PHE 103 N 6.37 2.31 0.73 2.20 0.08 -1.26 -4.82 117.98 123.59 2aig s PHE 103 Ca 0.42 1.46 -0.12 0.00 0.12 0.00 0.00 56.93 58.80 2aig s PHE 103 Cb -0.09 -3.64 0.18 0.00 -0.57 0.00 0.00 43.02 38.90 2aig s PHE 103 CO 0.15 -2.59 0.63 -0.85 -0.10 0.00 0.00 175.22 172.46 2aig n GLU 104 N -1.39 -2.39 -1.81 0.44 0.28 -0.90 -4.02 120.64 110.85 2aig n GLU 104 Ca 0.13 -1.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.06 2aig n GLU 104 Cb 0.47 -0.97 -0.01 0.00 1.43 0.00 0.00 31.44 32.36 2aig n GLU 104 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2aig n GLY 105 N -1.91 0.02 3.58 -1.84 0.00 -1.26 -2.07 105.19 101.70 2aig n GLY 105 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2aig n GLY 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aig n LYS 106 N -1.99 -6.02 -3.48 1.61 5.02 -1.26 -4.97 118.16 107.08 2aig n LYS 106 Ca -0.06 0.73 -0.38 0.00 -2.02 0.00 0.00 58.31 56.57 2aig n LYS 106 Cb 0.36 -5.65 -0.09 0.00 -0.02 0.00 0.00 35.03 29.63 2aig n LYS 106 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2aig s ILE 107 N -3.24 5.24 -1.72 -0.18 1.01 -0.88 -4.94 121.20 116.48 2aig s ILE 107 Ca 0.54 0.45 0.18 0.00 0.00 0.00 0.00 60.65 61.82 2aig s ILE 107 Cb -0.26 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.59 2aig s ILE 107 CO 0.67 0.23 0.94 2.30 0.00 0.00 0.00 174.94 179.08 2aig n ILE 108 N 4.78 0.00 -3.65 2.92 -5.35 -1.26 -4.28 119.36 112.51 2aig n ILE 108 Ca -0.11 -0.33 -0.05 0.00 -0.27 0.00 0.00 62.75 61.99 2aig n ILE 108 Cb 0.51 1.23 -0.02 0.00 -1.74 0.00 0.00 39.64 39.63 2aig n ILE 108 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2aig s GLY 109 N -2.01 -0.33 -0.29 3.28 0.00 -1.26 -0.49 107.32 106.22 2aig s GLY 109 Ca 0.16 0.49 -0.21 0.00 0.00 0.00 0.00 44.72 45.16 2aig s GLY 109 CO 0.43 0.14 1.23 1.25 0.00 0.00 0.00 173.10 176.14 2aig s LYS 110 N -3.18 0.21 0.15 2.90 2.20 -0.30 -4.99 119.74 116.74 2aig s LYS 110 Ca 0.10 0.30 -0.16 0.00 -0.36 0.00 0.00 55.97 55.84 2aig s LYS 110 Cb -0.01 0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.42 2aig s LYS 110 CO -0.02 -0.03 0.44 0.00 -0.36 0.00 0.00 175.35 175.37 2aig s ALA 111 N 0.55 -0.88 0.32 3.13 0.00 -1.26 -0.08 121.76 123.54 2aig s ALA 111 Ca -0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 2aig s ALA 111 Cb -0.04 0.76 -0.09 0.00 0.00 0.00 0.00 23.12 23.75 2aig s ALA 111 CO -0.12 -0.70 1.02 0.71 0.00 0.00 0.00 175.76 176.68 2aig s TYR 112 N -3.84 3.56 -0.10 0.00 2.02 -1.21 -4.91 117.35 112.88 2aig s TYR 112 Ca 0.06 1.73 -0.11 0.00 -0.37 0.00 0.00 57.07 58.39 2aig s TYR 112 Cb 0.01 -3.10 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 2aig s TYR 112 CO -0.08 -0.26 0.24 -0.08 -1.57 0.00 0.00 175.55 173.80 2aig s THR 113 N -1.44 5.33 -1.27 -0.71 -1.32 -1.25 -2.82 115.64 112.16 2aig s THR 113 Ca 0.50 0.45 -0.01 0.00 -1.21 0.00 0.00 61.69 61.42 2aig s THR 113 Cb -0.25 -3.53 0.00 0.00 -1.51 0.00 0.00 72.50 67.21 2aig s THR 113 CO 0.31 0.56 0.85 -1.20 -2.21 0.00 0.00 174.62 172.93 2aig n SER 114 N 2.28 -1.75 0.00 8.08 7.64 0.36 -4.88 113.62 125.35 2aig n SER 114 Ca -0.17 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 58.99 2aig n SER 114 Cb 0.54 -4.55 0.00 0.00 -1.01 0.00 0.00 64.21 59.19 2aig n SER 114 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2aig n SER 115 N -3.08 1.06 -4.64 6.43 3.41 -0.78 -4.92 113.62 111.11 2aig n SER 115 Ca -0.28 -1.47 -0.43 0.00 -0.26 0.00 0.00 58.87 56.43 2aig n SER 115 Cb 0.67 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.61 2aig n SER 115 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 2aig n MET 116 N -0.24 1.69 -0.90 4.33 1.56 -0.49 -1.31 117.12 121.78 2aig n MET 116 Ca 0.00 0.60 0.00 0.00 -0.27 0.00 0.00 57.70 58.03 2aig n MET 116 Cb 0.30 -2.10 0.00 0.00 2.15 0.00 0.00 33.22 33.57 2aig n MET 116 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2aig s ASN 118 N -2.42 6.80 0.41 0.00 3.84 -0.42 -4.97 114.94 118.18 2aig s ASN 118 Ca 0.00 0.97 0.23 0.00 0.21 0.00 0.00 52.86 54.27 2aig s ASN 118 Cb 0.00 -2.37 1.25 0.00 -0.55 0.00 0.00 41.25 39.58 2aig s ASN 118 CO 0.00 -0.22 1.68 -0.65 -2.79 0.00 0.00 177.10 175.13 2aig h PRO 119 N 7.18 0.23 0.00 0.43 0.11 -1.94 -1.57 132.00 136.43 2aig h PRO 119 Ca -0.35 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 2aig h PRO 119 Cb 1.16 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 2aig h PRO 119 CO 0.77 0.15 -1.63 -2.13 -0.21 0.00 0.00 178.00 174.96 2aig n ARG 120 N -4.73 2.31 0.00 1.05 0.00 -1.26 -4.03 116.66 110.00 2aig n ARG 120 Ca 0.32 -0.01 0.11 0.00 -0.00 0.00 0.00 57.85 58.27 2aig n ARG 120 Cb 1.15 -1.24 0.03 0.00 0.00 0.00 0.00 32.46 32.40 2aig n ARG 120 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2aig n SER 121 N -2.31 1.15 -4.24 6.15 7.64 -1.18 -4.53 113.62 116.31 2aig n SER 121 Ca -0.14 -0.97 -0.41 0.00 1.01 0.00 0.00 58.87 58.36 2aig n SER 121 Cb 0.76 0.64 -0.01 0.00 -1.01 0.00 0.00 64.21 64.59 2aig n SER 121 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2aig n SER 122 N -1.05 4.21 -3.52 6.43 2.88 -0.60 -4.47 113.62 117.51 2aig n SER 122 Ca 0.06 -2.85 -0.15 0.00 -1.33 0.00 0.00 58.87 54.60 2aig n SER 122 Cb 0.37 -1.67 -0.05 0.00 -0.75 0.00 0.00 64.21 62.11 2aig n SER 122 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2aig s VAL 123 N 4.69 0.01 -0.09 2.46 1.01 -1.26 -3.23 120.40 123.99 2aig s VAL 123 Ca 0.54 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.18 2aig s VAL 123 Cb 0.07 -0.98 0.06 0.00 0.00 0.00 0.00 36.38 35.53 2aig s VAL 123 CO 0.03 -0.05 0.58 -0.83 0.00 0.00 0.00 175.10 174.84 2aig s GLY 124 N -1.83 -0.46 -0.15 4.51 0.00 -1.02 -3.36 107.32 105.01 2aig s GLY 124 Ca -0.06 1.23 -0.03 0.00 0.00 0.00 0.00 44.72 45.86 2aig s GLY 124 CO 0.00 0.94 -0.06 -0.26 0.00 0.00 0.00 173.10 173.73 2aig s ILE 125 N -0.78 3.71 -0.15 0.90 -4.36 0.89 -1.48 121.20 119.93 2aig s ILE 125 Ca -0.08 -0.42 0.01 0.00 -0.26 0.00 0.00 60.65 59.90 2aig s ILE 125 Cb -0.02 -2.61 0.02 0.00 1.25 0.00 0.00 42.46 41.09 2aig s ILE 125 CO 0.06 0.50 -0.19 -0.69 0.24 0.00 0.00 174.94 174.87 2aig s VAL 126 N 0.37 1.86 -0.08 8.37 1.01 0.08 -1.15 120.40 130.86 2aig s VAL 126 Ca -0.06 -0.84 -0.23 0.00 0.00 0.00 0.00 61.98 60.86 2aig s VAL 126 Cb -0.15 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2aig s VAL 126 CO 0.04 0.51 0.69 -0.75 0.00 0.00 0.00 175.10 175.59 2aig s LYS 127 N 1.12 4.42 -1.21 2.72 2.20 0.35 -1.89 119.74 127.46 2aig s LYS 127 Ca -0.01 0.86 -0.17 0.00 -0.36 0.00 0.00 55.97 56.29 2aig s LYS 127 Cb -0.14 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 2aig s LYS 127 CO -0.07 0.05 2.10 -3.47 -0.36 0.00 0.00 175.35 173.59 2aig n ASP 128 N 3.86 3.42 -0.29 1.43 2.03 0.13 -4.67 116.55 122.47 2aig n ASP 128 Ca -0.01 -2.78 0.09 0.00 0.52 0.00 0.00 54.79 52.61 2aig n ASP 128 Cb 0.51 -1.47 0.42 0.00 -0.72 0.00 0.00 41.12 39.86 2aig n ASP 128 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2aig n HIS 129 N 6.86 0.12 -3.71 -0.67 1.44 -1.26 -4.86 115.22 113.15 2aig n HIS 129 Ca 0.51 -0.06 -0.14 0.00 -2.01 0.00 0.00 57.72 56.02 2aig n HIS 129 Cb 0.40 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.42 2aig n HIS 129 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2aig s SER 130 N -1.52 -0.42 0.05 4.39 0.15 -1.26 -5.01 113.70 110.08 2aig s SER 130 Ca 0.28 0.68 0.23 0.00 0.70 0.00 0.00 55.95 57.84 2aig s SER 130 Cb 0.14 0.72 0.94 0.00 -1.71 0.00 0.00 66.02 66.12 2aig s SER 130 CO 0.22 -0.28 1.72 -0.81 1.20 0.00 0.00 173.24 175.29 2aig n PRO 131 N 2.21 0.05 -3.18 5.44 -0.04 -1.26 -4.63 135.00 133.59 2aig n PRO 131 Ca -0.16 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2aig n PRO 131 Cb 0.57 -1.57 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 2aig n PRO 131 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2aig s ILE 132 N -3.04 4.95 0.33 0.52 -1.09 -1.26 -4.96 121.20 116.65 2aig s ILE 132 Ca 0.10 0.40 0.06 0.00 -2.23 0.00 0.00 60.65 58.99 2aig s ILE 132 Cb 0.14 -4.03 0.31 0.00 -1.58 0.00 0.00 42.46 37.29 2aig s ILE 132 CO 0.43 -0.30 1.86 0.78 -1.23 0.00 0.00 174.94 176.48 2aig h ASN 133 N 8.50 0.74 -0.23 3.58 2.35 -1.97 -2.59 115.58 125.97 2aig h ASN 133 Ca -0.27 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.59 2aig h ASN 133 Cb 1.12 -0.10 -0.07 0.00 0.05 0.00 0.00 38.32 39.32 2aig h ASN 133 CO 0.81 0.38 -0.24 0.25 -1.65 0.00 0.00 177.43 176.98 2aig h LEU 134 N 0.79 -0.75 -1.65 1.61 5.85 -1.95 0.14 115.31 119.35 2aig h LEU 134 Ca 0.47 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.31 2aig h LEU 134 Cb 0.65 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 42.03 2aig h LEU 134 CO -0.23 -0.27 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.45 2aig h LEU 135 N -0.25 0.00 0.14 2.25 4.07 -1.84 -1.28 115.31 118.40 2aig h LEU 135 Ca 0.13 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.87 2aig h LEU 135 Cb 0.45 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.20 2aig h LEU 135 CO -0.37 0.08 -1.07 0.58 -1.08 0.00 0.00 178.44 176.57 2aig h VAL 136 N 0.00 1.32 -0.41 1.22 2.07 -1.21 -3.14 116.25 116.10 2aig h VAL 136 Ca -0.00 -2.49 -0.00 0.00 0.82 0.00 0.00 66.70 65.02 2aig h VAL 136 Cb 0.47 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 2aig h VAL 136 CO 0.01 0.71 0.24 0.00 0.02 0.00 0.00 177.57 178.56 2aig h ALA 137 N 0.03 0.52 -0.91 1.67 0.00 -0.54 -1.57 119.26 118.46 2aig h ALA 137 Ca -0.21 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 54.73 2aig h ALA 137 Cb 1.71 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 2aig h ALA 137 CO 0.12 0.02 0.56 0.28 0.00 0.00 0.00 179.25 180.23 2aig h VAL 138 N 0.54 0.97 -0.52 0.00 2.07 -1.37 0.85 116.25 118.78 2aig h VAL 138 Ca 0.15 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2aig h VAL 138 Cb 0.01 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 2aig h VAL 138 CO -0.03 0.17 0.17 0.74 0.02 0.00 0.00 177.57 178.65 2aig h THR 139 N 0.96 1.21 0.00 2.57 2.02 -1.31 -0.33 112.91 118.02 2aig h THR 139 Ca 0.43 -0.69 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 2aig h THR 139 Cb 0.32 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2aig h THR 139 CO -0.22 0.26 -0.33 -0.03 0.37 0.00 0.00 175.52 175.57 2aig h MET 140 N 0.76 0.00 0.00 6.66 -1.53 -0.22 -2.59 114.93 118.00 2aig h MET 140 Ca 0.18 0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.30 2aig h MET 140 Cb 0.21 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.24 2aig h MET 140 CO -0.01 0.33 -0.63 0.00 0.14 0.00 0.00 176.91 176.74 2aig h ALA 141 N 1.67 0.66 -0.13 0.39 0.00 -0.23 -1.59 119.26 120.02 2aig h ALA 141 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2aig h ALA 141 Cb 1.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2aig h ALA 141 CO 0.04 0.79 -0.29 1.25 0.00 0.00 0.00 179.25 181.04 2aig h HIS 142 N 0.00 0.55 -0.53 0.00 6.17 -0.98 0.76 115.15 121.12 2aig h HIS 142 Ca -0.01 -0.20 -0.10 0.00 0.71 0.00 0.00 60.37 60.77 2aig h HIS 142 Cb 1.39 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 31.20 2aig h HIS 142 CO 0.00 0.91 -0.06 0.93 0.71 0.00 0.00 177.93 180.43 2aig h GLU 143 N 0.02 0.95 0.00 5.26 4.39 -1.44 -1.02 114.58 122.75 2aig h GLU 143 Ca 0.00 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.29 2aig h GLU 143 Cb 0.89 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2aig h GLU 143 CO 0.06 0.98 -0.48 1.25 -1.16 0.00 0.00 179.01 179.66 2aig h LEU 144 N 0.87 0.00 -0.68 1.33 5.85 -1.29 -2.13 115.31 119.25 2aig h LEU 144 Ca 0.15 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2aig h LEU 144 Cb 0.59 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2aig h LEU 144 CO 0.04 0.48 0.29 1.23 -0.34 0.00 0.00 178.44 180.14 2aig h GLY 145 N 1.49 1.09 1.25 3.75 0.00 0.16 -1.29 103.07 109.51 2aig h GLY 145 Ca -0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 2aig h GLY 145 CO 0.06 0.54 -0.10 0.45 0.00 0.00 0.00 176.54 177.49 2aig h HIS 146 N 0.97 0.98 -0.07 5.60 3.86 -0.81 -1.30 115.15 124.37 2aig h HIS 146 Ca 0.23 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2aig h HIS 146 Cb 0.18 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 2aig h HIS 146 CO 0.01 0.93 -0.00 -0.91 0.86 0.00 0.00 177.93 178.82 2aig h ASN 147 N 0.80 0.09 -0.30 2.45 -0.26 -0.78 0.14 115.58 117.72 2aig h ASN 147 Ca 0.13 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2aig h ASN 147 Cb 0.62 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 2aig h ASN 147 CO 0.04 0.11 0.00 0.18 -1.06 0.00 0.00 177.43 176.71 2aig n LEU 148 N -4.47 2.53 -0.04 1.61 4.77 -0.54 -1.39 117.00 119.47 2aig n LEU 148 Ca -0.02 -1.27 -0.00 0.00 -0.03 0.00 0.00 56.01 54.68 2aig n LEU 148 Cb 0.13 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2aig n LEU 148 CO 0.35 0.44 -0.00 0.61 -1.33 0.00 0.00 177.39 177.45 2aig n GLY 149 N 0.64 0.41 3.82 -0.72 0.00 -0.36 -4.24 105.19 104.74 2aig n GLY 149 Ca 0.12 -1.05 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 2aig n GLY 149 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aig s MET 150 N -2.32 4.21 0.38 1.61 -1.94 -0.56 -4.37 119.30 116.31 2aig s MET 150 Ca 0.00 0.87 0.08 0.00 -1.71 0.00 0.00 55.69 54.93 2aig s MET 150 Cb 0.00 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 34.11 2aig s MET 150 CO 0.00 0.28 0.21 -2.00 -0.01 0.00 0.00 175.02 173.50 2aig s GLU 151 N -2.36 2.37 0.48 2.03 2.56 -1.26 -4.50 118.70 118.01 2aig s GLU 151 Ca 0.48 -1.64 -0.22 0.00 0.00 0.00 0.00 54.97 53.60 2aig s GLU 151 Cb -0.14 -2.16 -0.07 0.00 2.00 0.00 0.00 34.13 33.75 2aig s GLU 151 CO 0.20 -0.02 1.12 -1.01 -0.56 0.00 0.00 175.26 174.98 2aig s HIS 152 N -2.49 2.89 0.00 5.30 3.76 -1.26 -4.87 115.29 118.62 2aig s HIS 152 Ca 0.41 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.88 2aig s HIS 152 Cb -0.01 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.42 2aig s HIS 152 CO 0.24 -1.29 0.00 -0.25 -0.85 0.00 0.00 174.74 172.59 2aig n ASP 153 N -0.75 0.00 -4.76 1.40 8.00 0.17 -4.98 116.55 115.63 2aig n ASP 153 Ca 0.09 -0.95 -0.39 0.00 0.71 0.00 0.00 54.79 54.24 2aig n ASP 153 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.55 2aig n ASP 153 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2aig s GLY 154 N -2.31 3.01 0.54 0.44 0.00 -1.26 -4.38 107.32 103.35 2aig s GLY 154 Ca 0.00 0.74 0.42 0.00 0.00 0.00 0.00 44.72 45.88 2aig s GLY 154 CO 0.00 1.29 1.68 1.70 0.00 0.00 0.00 173.10 177.77 2aig h LYS 155 N 3.66 0.02 -0.61 2.90 3.64 -1.97 0.49 116.57 124.70 2aig h LYS 155 Ca -0.46 -0.00 -0.41 0.00 -1.27 0.00 0.00 60.65 58.50 2aig h LYS 155 Cb 1.21 -0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.75 2aig h LYS 155 CO 0.66 0.01 -0.23 -0.25 -2.27 0.00 0.00 179.45 177.37 2aig n ASP 156 N -4.13 4.37 -4.62 4.20 8.00 -1.26 -4.92 116.55 118.19 2aig n ASP 156 Ca 0.36 -3.78 -0.43 0.00 0.71 0.00 0.00 54.79 51.64 2aig n ASP 156 Cb 1.63 -0.57 -0.03 0.00 -0.02 0.00 0.00 41.12 42.13 2aig n ASP 156 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2aig s LEU 158 N 5.70 2.66 -0.72 0.00 2.01 -1.26 -1.49 118.68 125.58 2aig s LEU 158 Ca 0.73 -0.35 -0.08 0.00 0.01 0.00 0.00 54.13 54.43 2aig s LEU 158 Cb -0.23 -1.59 0.19 0.00 0.01 0.00 0.00 46.19 44.57 2aig s LEU 158 CO 0.31 0.17 0.59 -0.60 1.01 0.00 0.00 176.35 177.83 2aig s ARG 159 N 0.34 3.05 2.32 1.70 6.06 -0.02 -4.88 118.95 127.53 2aig s ARG 159 Ca -0.12 -2.48 0.00 0.00 -2.50 0.00 0.00 55.73 50.63 2aig s ARG 159 Cb -0.16 -4.06 0.00 0.00 0.06 0.00 0.00 34.95 30.78 2aig s ARG 159 CO 0.06 -1.23 0.00 0.41 -2.50 0.00 0.00 175.30 172.04 2aig n GLY 160 N 3.75 1.93 0.00 8.12 0.00 -1.26 -1.92 105.19 115.81 2aig n GLY 160 Ca 0.10 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2aig n GLY 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aig n ALA 161 N 2.93 1.58 -1.95 4.61 0.00 -1.26 -5.07 120.51 121.34 2aig n ALA 161 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2aig n ALA 161 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 2aig n ALA 161 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2aig s SER 162 N -1.03 4.87 0.09 0.00 0.01 -0.81 -4.95 113.70 111.88 2aig s SER 162 Ca 0.00 0.16 -0.08 0.00 1.31 0.00 0.00 55.95 57.35 2aig s SER 162 Cb 0.00 -0.85 -0.06 0.00 0.21 0.00 0.00 66.02 65.33 2aig s SER 162 CO 0.00 -1.50 0.37 -0.76 0.41 0.00 0.00 173.24 171.76 2aig s LEU 163 N -5.07 4.32 0.01 2.44 1.02 -0.71 -0.84 118.68 119.86 2aig s LEU 163 Ca 0.60 0.69 -0.30 0.00 0.02 0.00 0.00 54.13 55.15 2aig s LEU 163 Cb -0.10 -3.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.02 2aig s LEU 163 CO 0.43 0.14 1.10 0.00 0.02 0.00 0.00 176.35 178.04 2aig h ILE 165 N 4.73 0.88 -1.09 0.00 2.04 -1.88 -2.99 117.51 119.20 2aig h ILE 165 Ca -0.40 -0.05 -0.53 0.00 1.00 0.00 0.00 64.86 64.88 2aig h ILE 165 Cb 1.20 0.71 -0.20 0.00 -0.74 0.00 0.00 36.82 37.80 2aig h ILE 165 CO 0.80 0.03 0.56 0.23 0.00 0.00 0.00 178.15 179.77 2aig n MET 166 N -4.46 2.36 -2.97 2.37 2.81 -1.26 -4.78 117.12 111.19 2aig n MET 166 Ca 0.06 -2.47 -0.32 0.00 -1.81 0.00 0.00 57.70 53.16 2aig n MET 166 Cb 0.35 -2.07 -0.06 0.00 -0.71 0.00 0.00 33.22 30.74 2aig n MET 166 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2aig s ARG 167 N -2.34 4.00 0.11 0.03 0.52 -1.13 0.44 118.95 120.57 2aig s ARG 167 Ca 0.52 0.73 0.07 0.00 -0.52 0.00 0.00 55.73 56.54 2aig s ARG 167 Cb 0.38 -2.36 0.38 0.00 0.52 0.00 0.00 34.95 33.87 2aig s ARG 167 CO -0.19 0.05 1.18 -2.30 0.02 0.00 0.00 175.30 174.07 2aig n PRO 168 N -0.68 0.05 -3.55 3.54 -0.02 -1.26 -4.66 135.00 128.42 2aig n PRO 168 Ca 0.04 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.89 2aig n PRO 168 Cb 0.54 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 2aig n PRO 168 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2aig s GLY 169 N -3.11 -0.47 0.29 -1.23 0.00 -1.26 -5.15 107.32 96.39 2aig s GLY 169 Ca -0.01 1.60 -0.29 0.00 0.00 0.00 0.00 44.72 46.03 2aig s GLY 169 CO 0.06 1.03 1.10 -2.27 0.00 0.00 0.00 173.10 173.02 2aig s LEU 170 N -1.07 4.51 -0.10 0.66 2.96 -1.26 -5.04 118.68 119.34 2aig s LEU 170 Ca -0.07 2.25 -0.00 0.00 -0.22 0.00 0.00 54.13 56.09 2aig s LEU 170 Cb -0.00 -3.68 0.02 0.00 0.50 0.00 0.00 46.19 43.03 2aig s LEU 170 CO 0.07 -0.18 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.96 2aig s THR 171 N -1.21 0.88 0.20 3.68 2.01 -1.26 -5.11 115.64 114.83 2aig s THR 171 Ca 0.46 -0.21 -0.33 0.00 0.31 0.00 0.00 61.69 61.92 2aig s THR 171 Cb -0.31 -0.92 -0.13 0.00 0.01 0.00 0.00 72.50 71.15 2aig s THR 171 CO 0.40 0.34 1.59 -0.81 -0.69 0.00 0.00 174.62 175.44 2aig n PRO 172 N 4.85 2.32 -2.87 4.92 -0.04 -1.26 -4.94 135.00 137.98 2aig n PRO 172 Ca -0.13 0.83 -0.07 0.00 -0.04 0.00 0.00 63.50 64.10 2aig n PRO 172 Cb 0.50 -2.61 0.01 0.00 -0.04 0.00 0.00 33.50 31.37 2aig n PRO 172 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aig n GLY 173 N 3.24 1.55 0.08 0.55 0.00 -1.26 -5.08 105.19 104.27 2aig n GLY 173 Ca 0.15 -1.24 -0.11 0.00 0.00 0.00 0.00 46.02 44.82 2aig n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2aig n ARG 174 N -0.35 0.94 -5.06 1.61 3.00 -1.26 -4.98 116.66 110.55 2aig n ARG 174 Ca -0.05 0.06 -0.31 0.00 -0.01 0.00 0.00 57.85 57.55 2aig n ARG 174 Cb 0.39 -1.37 -0.15 0.00 0.00 0.00 0.00 32.46 31.32 2aig n ARG 174 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2aig s SER 175 N -5.39 3.14 0.00 0.55 0.15 -1.26 -5.10 113.70 105.80 2aig s SER 175 Ca -0.18 -0.54 -0.06 0.00 0.70 0.00 0.00 55.95 55.87 2aig s SER 175 Cb 0.06 -0.32 -0.00 0.00 -1.71 0.00 0.00 66.02 64.04 2aig s SER 175 CO 0.49 0.28 0.12 -0.31 1.20 0.00 0.00 173.24 175.03 2aig s TYR 176 N -0.73 0.06 -0.05 3.44 1.51 -1.26 -1.73 117.35 118.58 2aig s TYR 176 Ca 0.11 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.73 2aig s TYR 176 Cb -0.10 -0.06 0.10 0.00 -0.11 0.00 0.00 41.96 41.79 2aig s TYR 176 CO 0.01 -0.26 0.83 -1.83 -1.11 0.00 0.00 175.55 173.19 2aig s GLU 177 N -1.30 0.87 0.25 -0.62 -1.05 -0.77 -4.87 118.70 111.21 2aig s GLU 177 Ca -0.14 -0.03 -0.30 0.00 -0.15 0.00 0.00 54.97 54.36 2aig s GLU 177 Cb -0.07 0.41 -0.09 0.00 -0.44 0.00 0.00 34.13 33.93 2aig s GLU 177 CO 0.01 -0.32 1.27 -0.06 0.95 0.00 0.00 175.26 177.11 2aig s PHE 178 N -2.02 3.26 0.99 4.83 0.08 -1.26 -2.88 117.98 120.98 2aig s PHE 178 Ca -0.02 1.36 -0.17 0.00 0.12 0.00 0.00 56.93 58.22 2aig s PHE 178 Cb -0.01 -3.57 0.24 0.00 -0.57 0.00 0.00 43.02 39.11 2aig s PHE 178 CO -0.01 -1.63 1.15 -1.13 -0.10 0.00 0.00 175.22 173.50 2aig n SER 179 N 1.87 -0.69 -0.02 1.36 3.41 -1.26 -4.95 113.62 113.33 2aig n SER 179 Ca 0.03 -1.32 -0.17 0.00 -0.26 0.00 0.00 58.87 57.15 2aig n SER 179 Cb 0.43 -0.94 -0.07 0.00 -0.26 0.00 0.00 64.21 63.38 2aig n SER 179 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2aig h ASP 180 N -1.99 0.93 -0.72 4.04 3.32 -1.99 -3.20 116.42 116.82 2aig h ASP 180 Ca -0.39 -0.61 0.06 0.00 0.02 0.00 0.00 57.03 56.11 2aig h ASP 180 Cb 1.12 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.34 2aig h ASP 180 CO 0.27 1.41 0.41 0.44 -1.72 0.00 0.00 179.24 180.05 2aig h ASP 181 N 0.53 0.61 -0.70 6.45 3.32 -1.99 -1.18 116.42 123.45 2aig h ASP 181 Ca -0.05 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2aig h ASP 181 Cb 1.41 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 2aig h ASP 181 CO 0.16 0.39 0.37 0.28 -1.72 0.00 0.00 179.24 178.72 2aig h SER 182 N 0.74 0.89 0.25 6.45 0.02 -1.89 -1.78 113.55 118.22 2aig h SER 182 Ca 0.32 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2aig h SER 182 Cb 0.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2aig h SER 182 CO -0.19 0.74 -0.22 0.24 -1.14 0.00 0.00 176.83 176.26 2aig h MET 183 N 0.97 0.00 0.20 3.45 2.86 -1.37 -2.25 114.93 118.79 2aig h MET 183 Ca 0.25 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 2aig h MET 183 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2aig h MET 183 CO -0.04 0.22 -0.10 0.78 1.06 0.00 0.00 176.91 178.83 2aig h GLY 184 N 0.71 -0.28 0.22 8.32 0.00 -0.43 -0.70 103.07 110.91 2aig h GLY 184 Ca -0.00 0.10 0.18 0.00 0.00 0.00 0.00 47.33 47.61 2aig h GLY 184 CO 0.03 -0.10 0.61 -0.97 0.00 0.00 0.00 176.54 176.11 2aig h TYR 185 N -0.83 0.99 0.34 5.60 0.05 -1.25 0.22 116.97 122.09 2aig h TYR 185 Ca -0.03 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 2aig h TYR 185 Cb 0.52 -0.30 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2aig h TYR 185 CO 0.07 0.26 -0.17 -0.92 -1.05 0.00 0.00 178.16 176.35 2aig h TYR 186 N 0.74 -0.43 -0.88 4.88 3.20 -1.39 -2.09 116.97 121.00 2aig h TYR 186 Ca 0.55 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.55 2aig h TYR 186 Cb 0.88 0.14 -0.09 0.00 1.54 0.00 0.00 36.73 39.20 2aig h TYR 186 CO -0.00 -0.12 0.48 0.37 -1.64 0.00 0.00 178.16 177.24 2aig h GLN 187 N -0.73 0.66 0.80 1.82 5.75 0.24 0.82 115.11 124.47 2aig h GLN 187 Ca -0.05 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 2aig h GLN 187 Cb 0.50 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 28.91 2aig h GLN 187 CO 0.08 0.44 -0.39 -0.22 -2.65 0.00 0.00 178.83 176.09 2aig h LYS 188 N 0.68 -1.04 -0.70 1.69 3.64 -0.58 -2.45 116.57 117.82 2aig h LYS 188 Ca 0.48 0.07 0.14 0.00 -1.27 0.00 0.00 60.65 60.06 2aig h LYS 188 Cb 0.65 0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 32.61 2aig h LYS 188 CO -0.35 -0.69 0.21 0.35 -2.27 0.00 0.00 179.45 176.70 2aig h PHE 189 N -1.08 0.35 -0.78 1.91 3.57 -0.64 0.27 116.94 120.53 2aig h PHE 189 Ca -0.11 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.53 2aig h PHE 189 Cb 0.83 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 2aig h PHE 189 CO -0.02 -0.01 0.41 1.25 -2.23 0.00 0.00 178.31 177.72 2aig h LEU 190 N 0.34 0.55 0.00 0.59 5.85 -0.65 -0.84 115.31 121.15 2aig h LEU 190 Ca 0.38 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.15 2aig h LEU 190 Cb 0.60 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 2aig h LEU 190 CO -0.43 0.30 -0.67 0.78 -0.34 0.00 0.00 178.44 178.07 2aig h ASN 191 N 0.67 0.00 0.53 1.25 2.35 -0.75 -2.39 115.58 117.24 2aig h ASN 191 Ca 0.39 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.86 2aig h ASN 191 Cb 0.43 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.81 2aig h ASN 191 CO -0.28 0.07 -1.23 -0.61 -1.65 0.00 0.00 177.43 173.73 2aig h GLN 192 N 0.00 0.34 0.00 0.81 4.15 0.48 -3.41 115.11 117.48 2aig h GLN 192 Ca -0.01 -0.53 -0.03 0.00 0.77 0.00 0.00 58.65 58.85 2aig h GLN 192 Cb 1.07 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2aig h GLN 192 CO 0.01 1.24 -1.11 0.66 -1.93 0.00 0.00 178.83 177.70 2aig n TYR 193 N -3.59 0.00 -2.82 3.99 4.01 -0.42 -5.07 117.16 113.27 2aig n TYR 193 Ca -0.09 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 2aig n TYR 193 Cb 1.01 -0.08 0.05 0.00 -0.31 0.00 0.00 39.34 40.01 2aig n TYR 193 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2aig n LYS 194 N -2.46 -1.77 -1.60 -0.72 5.02 -0.90 -4.87 118.16 110.87 2aig n LYS 194 Ca -0.03 0.65 -0.43 0.00 -2.02 0.00 0.00 58.31 56.47 2aig n LYS 194 Cb 0.54 -4.75 -0.03 0.00 -0.02 0.00 0.00 35.03 30.77 2aig n LYS 194 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2aig n PRO 195 N -2.81 1.98 0.00 1.97 -0.04 -1.26 -4.81 135.00 130.03 2aig n PRO 195 Ca -0.06 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 2aig n PRO 195 Cb 0.59 -3.18 0.58 0.00 -0.04 0.00 0.00 33.50 31.44 2aig n PRO 195 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2aig n GLN 196 N 8.64 0.01 0.10 0.54 6.02 -1.26 -3.11 117.38 128.32 2aig n GLN 196 Ca 0.30 0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.45 2aig n GLN 196 Cb 0.43 -1.50 0.45 0.00 1.02 0.00 0.00 30.24 30.64 2aig n GLN 196 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aig n ILE 198 N -2.16 0.11 -0.08 0.00 0.13 -1.18 -4.33 119.36 111.84 2aig n ILE 198 Ca 0.04 -0.31 -0.14 0.00 -1.10 0.00 0.00 62.75 61.24 2aig n ILE 198 Cb 0.33 0.46 -0.10 0.00 -0.84 0.00 0.00 39.64 39.50 2aig n ILE 198 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 2aig h LEU 199 N 2.35 0.00 -9.76 9.51 3.38 -1.68 -1.59 115.31 117.52 2aig h LEU 199 Ca 0.00 -0.56 -0.57 0.00 0.09 0.00 0.00 57.88 56.83 2aig h LEU 199 Cb 0.51 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.39 2aig h LEU 199 CO 0.00 1.11 0.28 -0.46 0.09 0.00 0.00 178.44 179.46 2aig n ASN 200 N -4.56 1.65 -4.67 -0.43 6.94 -1.26 -4.64 115.26 108.30 2aig n ASN 200 Ca -0.17 1.01 -0.38 0.00 -0.02 0.00 0.00 54.58 55.02 2aig n ASN 200 Cb 0.48 -1.42 -0.08 0.00 -2.36 0.00 0.00 39.78 36.41 2aig n ASN 200 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2aig s LYS 201 N -2.26 4.16 0.00 -3.83 3.01 -1.26 -4.51 119.74 115.05 2aig s LYS 201 Ca 0.65 0.17 0.00 0.00 -1.01 0.00 0.00 55.97 55.78 2aig s LYS 201 Cb -0.51 -3.54 0.00 0.00 -1.01 0.00 0.00 37.83 32.77 2aig s LYS 201 CO 0.55 -0.04 0.28 -2.30 0.51 0.00 0.00 175.35 174.35