#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wrn s LEU 3 N 0.00 4.28 -0.53 -4.42 1.43 -1.26 -1.52 118.68 116.66 1wrn s LEU 3 Ca 0.00 2.82 -0.22 0.00 -1.03 0.00 0.00 54.13 55.70 1wrn s LEU 3 Cb 0.00 -3.78 0.05 0.00 0.03 0.00 0.00 46.19 42.49 1wrn s LEU 3 CO 0.00 -0.83 0.79 -2.28 0.23 0.00 0.00 176.35 174.26 1wrn s HIS 4 N -1.18 2.92 0.23 0.29 5.65 -0.43 -4.73 115.29 118.04 1wrn s HIS 4 Ca 0.54 -0.27 0.15 0.00 0.25 0.00 0.00 55.06 55.73 1wrn s HIS 4 Cb -0.42 -3.81 0.81 0.00 -1.18 0.00 0.00 32.58 27.99 1wrn s HIS 4 CO 0.55 -1.20 0.91 0.36 -0.65 0.00 0.00 174.74 174.71 1wrn n LYS 5 N 6.83 -0.03 0.00 2.88 0.00 -1.26 0.11 118.16 126.69 1wrn n LYS 5 Ca -0.02 0.77 0.14 0.00 -0.00 0.00 0.00 58.31 59.19 1wrn n LYS 5 Cb 0.46 -1.43 0.52 0.00 -0.00 0.00 0.00 35.03 34.59 1wrn n LYS 5 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1wrn n GLU 6 N -4.10 0.73 -2.62 -1.58 1.02 -1.26 -4.31 120.64 108.52 1wrn n GLU 6 Ca 0.23 -0.32 -0.13 0.00 -0.02 0.00 0.00 57.16 56.91 1wrn n GLU 6 Cb 0.81 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.76 1wrn n GLU 6 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wrn n ARG 7 N -0.85 1.72 -2.58 3.49 1.85 0.30 -5.02 116.66 115.57 1wrn n ARG 7 Ca 0.13 -3.56 -0.41 0.00 -1.00 0.00 0.00 57.85 53.01 1wrn n ARG 7 Cb 0.30 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 1wrn n ARG 7 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1wrn s ARG 8 N -3.26 3.41 0.37 2.89 0.52 -1.24 -4.32 118.95 117.33 1wrn s ARG 8 Ca 0.32 -0.78 0.15 0.00 -0.52 0.00 0.00 55.73 54.90 1wrn s ARG 8 Cb 0.44 -4.82 1.01 0.00 0.52 0.00 0.00 34.95 32.10 1wrn s ARG 8 CO -0.02 -2.15 1.77 0.97 0.02 0.00 0.00 175.30 175.89 1wrn h ILE 9 N 6.42 0.56 0.58 1.52 2.10 -1.94 -0.69 117.51 126.06 1wrn h ILE 9 Ca -0.01 -0.16 -0.03 0.00 1.08 0.00 0.00 64.86 65.73 1wrn h ILE 9 Cb 1.03 0.04 0.01 0.00 -1.09 0.00 0.00 36.82 36.80 1wrn h ILE 9 CO 1.35 0.09 -0.28 1.23 -1.08 0.00 0.00 178.15 179.45 1wrn h GLY 10 N 0.48 -0.82 0.28 8.18 0.00 -1.97 -0.98 103.07 108.24 1wrn h GLY 10 Ca 0.59 0.30 0.13 0.00 0.00 0.00 0.00 47.33 48.36 1wrn h GLY 10 CO -0.33 -0.30 0.42 -0.09 0.00 0.00 0.00 176.54 176.24 1wrn h ARG 11 N -1.06 0.60 -0.45 4.80 2.43 -1.85 -2.15 114.38 116.70 1wrn h ARG 11 Ca -0.08 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1wrn h ARG 11 Cb 0.66 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1wrn h ARG 11 CO 0.13 0.40 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.82 1wrn h LEU 12 N 0.62 0.87 -1.63 3.80 3.38 -1.11 -1.30 115.31 119.94 1wrn h LEU 12 Ca 0.44 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1wrn h LEU 12 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1wrn h LEU 12 CO -0.34 1.03 -0.20 0.77 0.09 0.00 0.00 178.44 179.79 1wrn h SER 13 N 0.70 0.00 0.03 -0.43 4.64 -0.57 -1.45 113.55 116.48 1wrn h SER 13 Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1wrn h SER 13 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1wrn h SER 13 CO 0.04 0.20 -0.01 0.58 -0.87 0.00 0.00 176.83 176.77 1wrn h VAL 14 N 0.00 1.11 -0.88 0.95 2.07 -1.22 -2.42 116.25 115.87 1wrn h VAL 14 Ca -0.00 -1.71 0.20 0.00 0.82 0.00 0.00 66.70 66.01 1wrn h VAL 14 Cb 0.37 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 1wrn h VAL 14 CO 0.03 0.36 0.59 -0.07 0.02 0.00 0.00 177.57 178.49 1wrn h LEU 15 N -0.96 0.34 -0.35 2.57 3.38 -1.19 0.26 115.31 119.36 1wrn h LEU 15 Ca -0.00 0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 1wrn h LEU 15 Cb 0.62 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wrn h LEU 15 CO 0.01 0.14 -0.56 0.25 0.09 0.00 0.00 178.44 178.37 1wrn h LEU 16 N 0.34 0.88 -0.73 1.67 5.85 -1.31 -3.10 115.31 118.92 1wrn h LEU 16 Ca 0.45 -0.48 -0.12 0.00 0.84 0.00 0.00 57.88 58.57 1wrn h LEU 16 Cb 1.21 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 1wrn h LEU 16 CO -0.15 1.26 -0.31 0.25 -0.34 0.00 0.00 178.44 179.15 1wrn h LEU 17 N 0.61 0.64 0.20 2.25 5.85 -0.01 -3.34 115.31 121.51 1wrn h LEU 17 Ca 0.01 -0.25 -0.34 0.00 0.84 0.00 0.00 57.88 58.14 1wrn h LEU 17 Cb 1.15 -0.18 0.02 0.00 0.37 0.00 0.00 40.66 42.02 1wrn h LEU 17 CO 0.12 0.91 -1.61 -0.07 -0.34 0.00 0.00 178.44 177.44 1wrn h LEU 18 N 0.53 0.67 -9.67 2.25 3.38 -1.34 -3.47 115.31 107.67 1wrn h LEU 18 Ca 0.06 -0.86 -0.52 0.00 0.09 0.00 0.00 57.88 56.65 1wrn h LEU 18 Cb 0.80 -0.22 0.03 0.00 0.09 0.00 0.00 40.66 41.36 1wrn h LEU 18 CO 0.07 1.71 0.62 0.20 0.09 0.00 0.00 178.44 181.12 1wrn s ASN 19 N -7.36 6.96 -1.48 -0.43 -0.87 -1.17 -5.13 114.94 105.46 1wrn s ASN 19 Ca -0.12 2.33 -0.10 0.00 -1.57 0.00 0.00 52.86 53.40 1wrn s ASN 19 Cb 0.05 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.69 1wrn s ASN 19 CO 0.89 -0.47 2.50 -0.62 -2.57 0.00 0.00 177.10 176.83 1wrn n GLU 20 N 2.62 3.57 -3.29 -0.60 -0.58 -1.26 -4.98 120.64 116.11 1wrn n GLU 20 Ca 0.06 -2.70 -0.42 0.00 -0.42 0.00 0.00 57.16 53.68 1wrn n GLU 20 Cb 0.43 -2.94 -0.08 0.00 -0.57 0.00 0.00 31.44 28.28 1wrn n GLU 20 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1wrn s THR 25 N 1.74 5.06 -0.02 2.62 2.01 -1.26 -5.26 115.64 120.53 1wrn s THR 25 Ca 0.56 -0.05 0.20 0.00 0.31 0.00 0.00 61.69 62.71 1wrn s THR 25 Cb 0.16 -4.00 0.16 0.00 0.01 0.00 0.00 72.50 68.84 1wrn s THR 25 CO -0.07 -0.33 1.65 0.06 -0.69 0.00 0.00 174.62 175.25 1wrn h GLN 26 N 8.63 0.00 -0.23 4.92 3.07 -1.99 -2.95 115.11 126.55 1wrn h GLN 26 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.41 1wrn h GLN 26 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.67 1wrn h GLN 26 CO 0.78 0.33 -0.07 0.28 0.09 0.00 0.00 178.83 180.24 1wrn h VAL 27 N 0.00 1.29 -0.08 1.86 2.07 -1.98 -1.57 116.25 117.83 1wrn h VAL 27 Ca -0.00 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.45 1wrn h VAL 27 Cb 1.03 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 1wrn h VAL 27 CO 0.04 0.34 -0.15 -0.33 0.02 0.00 0.00 177.57 177.50 1wrn h GLU 28 N 0.19 -0.20 -0.25 1.57 5.08 -1.95 0.54 114.58 119.56 1wrn h GLU 28 Ca 0.06 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1wrn h GLU 28 Cb 0.55 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 1wrn h GLU 28 CO 0.03 -0.13 0.00 1.05 -1.00 0.00 0.00 179.01 178.96 1wrn h GLU 29 N -0.20 0.08 -0.85 2.33 4.11 -1.46 0.68 114.58 119.26 1wrn h GLU 29 Ca 0.08 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.48 1wrn h GLU 29 Cb 0.31 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1wrn h GLU 29 CO -0.20 0.05 0.44 -0.07 0.07 0.00 0.00 179.01 179.30 1wrn h LEU 30 N 0.08 1.09 -1.01 3.06 3.38 -0.73 -1.69 115.31 119.49 1wrn h LEU 30 Ca 0.12 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1wrn h LEU 30 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1wrn h LEU 30 CO -0.20 0.90 -0.41 -0.33 0.09 0.00 0.00 178.44 178.49 1wrn h GLU 31 N 1.20 0.17 -0.74 1.13 5.08 0.93 -2.09 114.58 120.26 1wrn h GLU 31 Ca 0.30 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1wrn h GLU 31 Cb 0.07 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1wrn h GLU 31 CO -0.04 0.56 0.37 0.00 -1.00 0.00 0.00 179.01 178.89 1wrn h ARG 32 N 0.15 1.04 -7.85 2.33 -0.00 0.12 -3.39 114.38 106.78 1wrn h ARG 32 Ca 0.01 -0.14 -0.44 0.00 -0.50 0.00 0.00 59.98 58.91 1wrn h ARG 32 Cb 0.79 -0.20 0.17 0.00 0.00 0.00 0.00 29.97 30.73 1wrn h ARG 32 CO 0.06 0.79 0.43 -0.51 0.00 0.00 0.00 179.97 180.74 1wrn s ASP 33 N -6.39 2.98 0.00 7.04 1.11 -0.78 -4.88 116.67 115.74 1wrn s ASP 33 Ca -0.11 0.21 0.00 0.00 0.18 0.00 0.00 52.55 52.83 1wrn s ASP 33 Cb 0.17 -0.21 0.00 0.00 1.07 0.00 0.00 42.92 43.95 1wrn s ASP 33 CO 0.81 -2.82 0.51 0.61 1.18 0.00 0.00 175.17 175.47 1wrn n GLY 34 N -3.81 1.19 3.73 0.21 0.00 -1.26 -4.88 105.19 100.38 1wrn n GLY 34 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1wrn n GLY 34 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wrn s TRP 35 N -0.30 3.60 -0.18 1.61 0.52 -0.93 -4.78 118.94 118.48 1wrn s TRP 35 Ca 0.00 1.16 -0.19 0.00 0.02 0.00 0.00 56.10 57.10 1wrn s TRP 35 Cb 0.00 -2.69 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 1wrn s TRP 35 CO 0.00 0.20 0.52 0.15 0.02 0.00 0.00 176.95 177.84 1wrn s LYS 36 N 0.40 4.22 0.05 4.98 -0.14 -0.56 -3.90 119.74 124.79 1wrn s LYS 36 Ca 0.33 0.44 0.05 0.00 -1.36 0.00 0.00 55.97 55.43 1wrn s LYS 36 Cb -0.17 -3.54 -0.02 0.00 -1.68 0.00 0.00 37.83 32.41 1wrn s LYS 36 CO 0.16 -0.10 -0.15 0.08 -0.76 0.00 0.00 175.35 174.59 1wrn s VAL 37 N 1.46 1.19 0.01 3.17 1.01 -1.26 -1.23 120.40 124.75 1wrn s VAL 37 Ca 0.25 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1wrn s VAL 37 Cb -0.15 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1wrn s VAL 37 CO 0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 175.10 175.13 1wrn s LEU 39 N -0.79 2.23 0.05 0.00 1.43 -1.26 -1.56 118.68 118.77 1wrn s LEU 39 Ca -0.06 -0.48 -0.28 0.00 -1.03 0.00 0.00 54.13 52.28 1wrn s LEU 39 Cb -0.06 0.00 0.10 0.00 0.03 0.00 0.00 46.19 46.27 1wrn s LEU 39 CO -0.00 -0.25 1.16 -0.83 0.23 0.00 0.00 176.35 176.66 1wrn s GLY 40 N -1.40 -0.32 0.02 -3.19 0.00 -1.05 -5.02 107.32 96.36 1wrn s GLY 40 Ca -0.13 0.43 0.06 0.00 0.00 0.00 0.00 44.72 45.08 1wrn s GLY 40 CO -0.00 0.26 -0.17 0.54 0.00 0.00 0.00 173.10 173.72 1wrn s LYS 41 N -2.74 1.20 -0.15 2.90 1.02 -1.26 -1.00 119.74 119.71 1wrn s LYS 41 Ca 0.14 -0.76 -0.08 0.00 0.02 0.00 0.00 55.97 55.29 1wrn s LYS 41 Cb 0.02 -1.22 0.05 0.00 -0.52 0.00 0.00 37.83 36.16 1wrn s LYS 41 CO -0.01 0.32 0.36 0.54 -0.92 0.00 0.00 175.35 175.64 1wrn s VAL 42 N -0.68 -0.03 -0.17 3.17 0.11 0.20 -4.99 120.40 118.01 1wrn s VAL 42 Ca 0.05 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.21 1wrn s VAL 42 Cb -0.08 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1wrn s VAL 42 CO 0.01 0.04 -0.12 -0.83 -3.33 0.00 0.00 175.10 170.87 1wrn s GLY 43 N 1.29 1.17 0.18 6.54 0.00 -1.26 0.29 107.32 115.54 1wrn s GLY 43 Ca -0.09 -1.02 -0.23 0.00 0.00 0.00 0.00 44.72 43.38 1wrn s GLY 43 CO -0.11 0.62 0.75 -0.45 0.00 0.00 0.00 173.10 173.91 1wrn s SER 44 N 1.46 -0.35 -0.00 1.64 0.15 0.17 -4.96 113.70 111.81 1wrn s SER 44 Ca 0.02 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.38 1wrn s SER 44 Cb -0.14 0.60 0.06 0.00 -1.71 0.00 0.00 66.02 64.83 1wrn s SER 44 CO -0.10 -1.06 1.05 1.15 1.20 0.00 0.00 173.24 175.48 1wrn n MET 45 N -0.41 2.94 -4.04 5.44 0.00 -1.26 -0.52 117.12 119.27 1wrn n MET 45 Ca -0.09 -1.62 -0.31 0.00 0.00 0.00 0.00 57.70 55.68 1wrn n MET 45 Cb 0.61 -1.06 -0.16 0.00 0.00 0.00 0.00 33.22 32.62 1wrn n MET 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1wrn s ASP 46 N -1.04 3.67 0.29 3.17 1.01 -1.26 -0.44 116.67 122.07 1wrn s ASP 46 Ca 0.05 -1.00 -0.01 0.00 0.71 0.00 0.00 52.55 52.29 1wrn s ASP 46 Cb 0.03 -1.38 0.45 0.00 1.01 0.00 0.00 42.92 43.03 1wrn s ASP 46 CO 0.03 -0.13 1.94 0.00 0.21 0.00 0.00 175.17 177.21 1wrn h ALA 47 N 7.90 1.43 -0.01 5.23 0.00 -1.94 -1.95 119.26 129.93 1wrn h ALA 47 Ca -0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1wrn h ALA 47 Cb 1.09 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wrn h ALA 47 CO 0.50 0.48 0.02 1.12 0.00 0.00 0.00 179.25 181.37 1wrn h HIS 48 N 1.12 0.00 0.08 0.00 2.07 -1.99 -0.65 115.15 115.78 1wrn h HIS 48 Ca 0.35 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.61 1wrn h HIS 48 Cb 0.01 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.01 1wrn h HIS 48 CO -0.00 0.00 -1.13 0.87 -3.07 0.00 0.00 177.93 174.60 1wrn h LYS 49 N 0.00 0.48 -0.17 5.12 1.57 -1.78 -0.19 116.57 121.61 1wrn h LYS 49 Ca 0.01 -0.62 -0.08 0.00 -1.87 0.00 0.00 60.65 58.09 1wrn h LYS 49 Cb 0.04 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1wrn h LYS 49 CO -0.00 1.25 -0.25 0.28 -0.57 0.00 0.00 179.45 180.16 1wrn h VAL 50 N 0.22 1.25 0.13 0.50 2.07 -1.15 -1.53 116.25 117.74 1wrn h VAL 50 Ca -0.14 -1.16 -0.23 0.00 0.82 0.00 0.00 66.70 65.99 1wrn h VAL 50 Cb 1.80 1.40 0.03 0.00 -1.52 0.00 0.00 31.29 33.00 1wrn h VAL 50 CO 0.20 0.36 -0.99 0.40 0.02 0.00 0.00 177.57 177.56 1wrn h ILE 51 N 0.27 1.40 0.00 4.57 2.04 -1.12 -3.07 117.51 121.60 1wrn h ILE 51 Ca 0.04 -2.46 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 1wrn h ILE 51 Cb 0.59 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 1wrn h ILE 51 CO 0.04 0.72 -0.36 0.00 0.00 0.00 0.00 178.15 178.55 1wrn h ALA 52 N 0.19 1.26 -0.12 1.87 0.00 -0.94 -2.48 119.26 119.04 1wrn h ALA 52 Ca -0.16 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1wrn h ALA 52 Cb 1.74 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1wrn h ALA 52 CO 0.19 0.46 -0.39 0.00 0.00 0.00 0.00 179.25 179.50 1wrn h ALA 53 N 1.64 0.21 -0.38 0.00 0.00 -1.36 -0.29 119.26 119.08 1wrn h ALA 53 Ca -0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1wrn h ALA 53 Cb 0.70 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1wrn h ALA 53 CO 0.05 0.30 0.03 0.82 0.00 0.00 0.00 179.25 180.45 1wrn h ILE 54 N 0.06 1.20 -0.04 0.00 2.04 -1.46 0.13 117.51 119.44 1wrn h ILE 54 Ca -0.02 -0.77 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1wrn h ILE 54 Cb 1.02 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1wrn h ILE 54 CO 0.08 0.27 -0.07 -0.08 0.00 0.00 0.00 178.15 178.36 1wrn h GLU 55 N 0.56 0.12 -0.86 2.37 4.81 -1.40 -0.72 114.58 119.46 1wrn h GLU 55 Ca 0.12 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1wrn h GLU 55 Cb 0.31 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1wrn h GLU 55 CO 0.01 0.63 0.56 1.15 -0.73 0.00 0.00 179.01 180.63 1wrn h THR 56 N -0.39 1.17 -0.23 0.32 2.02 -0.76 -0.13 112.91 114.90 1wrn h THR 56 Ca 0.00 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 1wrn h THR 56 Cb 0.63 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1wrn h THR 56 CO 0.02 0.20 -0.23 0.00 0.37 0.00 0.00 175.52 175.88 1wrn h ALA 57 N 1.34 0.33 -0.44 6.16 0.00 -0.78 -0.64 119.26 125.23 1wrn h ALA 57 Ca 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wrn h ALA 57 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1wrn h ALA 57 CO -0.10 0.29 0.17 0.77 0.00 0.00 0.00 179.25 180.38 1wrn h SER 58 N 0.25 0.56 0.54 0.00 0.02 -0.67 -1.78 113.55 112.47 1wrn h SER 58 Ca 0.04 -0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.63 1wrn h SER 58 Cb 0.78 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.18 1wrn h SER 58 CO 0.06 0.52 -1.33 0.11 -1.14 0.00 0.00 176.83 175.05 1wrn h LYS 59 N 0.62 0.32 0.53 3.45 1.57 -0.99 -2.46 116.57 119.60 1wrn h LYS 59 Ca 0.15 -0.55 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 1wrn h LYS 59 Cb 0.14 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1wrn h LYS 59 CO -0.01 1.25 -0.30 0.87 -0.57 0.00 0.00 179.45 180.68 1wrn h LYS 60 N 0.09 -0.74 0.00 3.15 1.79 -0.87 -3.41 116.57 116.58 1wrn h LYS 60 Ca -0.17 0.05 -0.31 0.00 -2.18 0.00 0.00 60.65 58.04 1wrn h LYS 60 Cb 2.02 0.17 0.16 0.00 -1.58 0.00 0.00 32.23 33.00 1wrn h LYS 60 CO 0.21 -0.50 0.00 -1.13 -1.08 0.00 0.00 179.45 176.96 1wrn n SER 61 N -4.26 -2.61 -2.26 0.86 3.41 -0.69 -4.91 113.62 103.16 1wrn n SER 61 Ca -0.09 -0.91 -0.28 0.00 -0.26 0.00 0.00 58.87 57.32 1wrn n SER 61 Cb 0.32 -0.81 0.14 0.00 -0.26 0.00 0.00 64.21 63.60 1wrn n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wrn n GLY 62 N -3.87 5.01 0.31 5.00 0.00 -1.26 -4.61 105.19 105.77 1wrn n GLY 62 Ca 0.12 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1wrn n GLY 62 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1wrn h VAL 63 N 0.99 1.26 -4.16 1.61 2.07 -1.75 -3.45 116.25 112.82 1wrn h VAL 63 Ca 0.62 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.94 1wrn h VAL 63 Cb 2.06 0.69 -0.15 0.00 -1.52 0.00 0.00 31.29 32.38 1wrn h VAL 63 CO 1.29 0.40 -0.59 0.27 0.02 0.00 0.00 177.57 178.96 1wrn s ILE 64 N -5.13 0.18 0.16 4.57 -4.36 -1.15 -4.87 121.20 110.59 1wrn s ILE 64 Ca -0.12 -1.67 -0.30 0.00 -0.26 0.00 0.00 60.65 58.30 1wrn s ILE 64 Cb 0.14 -1.59 -0.08 0.00 1.25 0.00 0.00 42.46 42.19 1wrn s ILE 64 CO 0.85 -0.80 1.26 -1.10 0.24 0.00 0.00 174.94 175.40 1wrn s GLN 65 N -3.93 4.42 0.24 0.37 -0.21 -1.26 -4.51 119.66 114.78 1wrn s GLN 65 Ca 0.10 1.95 0.13 0.00 0.02 0.00 0.00 55.36 57.55 1wrn s GLN 65 Cb 0.07 -3.24 0.08 0.00 1.00 0.00 0.00 33.01 30.92 1wrn s GLN 65 CO -0.08 -0.22 1.44 1.03 -2.12 0.00 0.00 175.29 175.34 1wrn h SER 66 N 5.76 0.00 -3.36 5.90 0.87 -1.95 -3.43 113.55 117.34 1wrn h SER 66 Ca -0.44 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.55 1wrn h SER 66 Cb 1.21 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.11 1wrn h SER 66 CO 0.78 0.66 0.11 -1.61 -0.53 0.00 0.00 176.83 176.24 1wrn s GLU 67 N -3.01 4.37 0.00 2.24 8.01 -1.26 -4.93 118.70 124.12 1wrn s GLU 67 Ca 0.02 0.80 0.00 0.00 0.01 0.00 0.00 54.97 55.81 1wrn s GLU 67 Cb 0.09 -3.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.43 1wrn s GLU 67 CO 0.76 -0.03 0.00 0.41 0.01 0.00 0.00 175.26 176.41 1wrn n GLY 68 N 3.29 0.87 0.10 -1.39 0.00 -1.26 -4.90 105.19 101.90 1wrn n GLY 68 Ca -0.01 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 1wrn n GLY 68 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wrn n TYR 69 N 1.14 0.00 -0.32 1.61 9.36 -1.26 -4.61 117.16 123.07 1wrn n TYR 69 Ca 0.00 0.00 0.20 0.00 3.32 0.00 0.00 57.90 61.42 1wrn n TYR 69 Cb 0.00 -0.81 0.39 0.00 -0.63 0.00 0.00 39.34 38.29 1wrn n TYR 69 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1wrn h ARG 70 N 0.00 0.11 0.09 2.98 2.43 -1.97 0.73 114.38 118.76 1wrn h ARG 70 Ca -0.46 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 58.43 1wrn h ARG 70 Cb 1.81 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.32 1wrn h ARG 70 CO -0.04 0.08 -1.35 0.93 -1.51 0.00 0.00 179.97 178.07 1wrn h GLU 71 N 0.12 0.19 -0.46 0.20 5.08 -1.88 -2.81 114.58 115.01 1wrn h GLU 71 Ca 0.67 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1wrn h GLU 71 Cb 1.51 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 1wrn h GLU 71 CO -0.75 1.08 0.12 0.77 -1.00 0.00 0.00 179.01 179.22 1wrn h SER 72 N 0.05 0.64 -0.12 1.42 0.02 -1.47 -0.74 113.55 113.35 1wrn h SER 72 Ca -0.17 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1wrn h SER 72 Cb 1.96 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.33 1wrn h SER 72 CO 0.16 0.64 0.01 -0.74 -1.14 0.00 0.00 176.83 175.76 1wrn h HIS 73 N 0.68 0.23 -0.46 3.45 -0.00 -0.93 -0.10 115.15 118.01 1wrn h HIS 73 Ca 0.15 -0.04 0.05 0.00 -0.00 0.00 0.00 60.37 60.54 1wrn h HIS 73 Cb 0.25 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 1wrn h HIS 73 CO 0.01 0.43 0.20 0.00 -0.00 0.00 0.00 177.93 178.57 1wrn h ALA 74 N 0.77 0.57 -0.44 5.26 0.00 -1.17 -2.30 119.26 121.95 1wrn h ALA 74 Ca 0.04 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1wrn h ALA 74 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wrn h ALA 74 CO 0.00 -0.17 -0.22 1.25 0.00 0.00 0.00 179.25 180.11 1wrn h LEU 75 N 0.40 0.97 -0.03 0.00 5.85 -1.07 -2.62 115.31 118.81 1wrn h LEU 75 Ca 0.21 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1wrn h LEU 75 Cb 0.16 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1wrn h LEU 75 CO -0.17 1.16 0.01 0.22 -0.34 0.00 0.00 178.44 179.31 1wrn h TYR 76 N 0.77 0.01 -0.08 1.25 5.03 -0.84 -0.49 116.97 122.62 1wrn h TYR 76 Ca 0.10 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.35 1wrn h TYR 76 Cb 0.80 -0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.07 1wrn h TYR 76 CO 0.06 0.00 -0.23 0.45 -1.32 0.00 0.00 178.16 177.12 1wrn h HIS 77 N 0.02 0.14 -0.32 -3.82 3.86 -1.44 -0.96 115.15 112.63 1wrn h HIS 77 Ca 0.01 -0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 1wrn h HIS 77 Cb 0.01 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 1wrn h HIS 77 CO -0.09 0.36 -0.42 0.00 0.86 0.00 0.00 177.93 178.64 1wrn h ALA 78 N 1.65 0.48 -0.38 2.45 0.00 -1.09 -1.71 119.26 120.66 1wrn h ALA 78 Ca 0.02 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1wrn h ALA 78 Cb 0.48 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1wrn h ALA 78 CO 0.03 0.61 0.16 1.15 0.00 0.00 0.00 179.25 181.20 1wrn h THR 79 N 0.63 1.19 -0.88 0.00 2.02 -0.75 -1.33 112.91 113.79 1wrn h THR 79 Ca 0.04 -0.56 0.10 0.00 0.77 0.00 0.00 66.41 66.76 1wrn h THR 79 Cb 1.02 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 1wrn h THR 79 CO 0.10 0.20 0.57 0.24 0.37 0.00 0.00 175.52 177.00 1wrn h MET 80 N 0.47 0.82 0.00 6.66 2.86 -1.03 0.55 114.93 125.27 1wrn h MET 80 Ca 0.13 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1wrn h MET 80 Cb 0.17 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1wrn h MET 80 CO -0.01 0.54 -0.43 0.93 1.06 0.00 0.00 176.91 179.00 1wrn h GLU 81 N 0.85 0.00 0.03 1.72 5.08 -0.71 -2.74 114.58 118.82 1wrn h GLU 81 Ca 0.41 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1wrn h GLU 81 Cb 0.44 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1wrn h GLU 81 CO -0.18 0.43 -0.35 0.00 -1.00 0.00 0.00 179.01 177.92 1wrn h ALA 82 N 1.57 0.00 -0.20 3.43 0.00 0.23 -3.20 119.26 121.09 1wrn h ALA 82 Ca -0.00 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.43 1wrn h ALA 82 Cb 1.00 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1wrn h ALA 82 CO 0.06 0.15 0.33 -0.07 0.00 0.00 0.00 179.25 179.71 1wrn h LEU 83 N -0.55 0.00 -0.52 0.00 3.38 0.03 -0.26 115.31 117.39 1wrn h LEU 83 Ca -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1wrn h LEU 83 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1wrn h LEU 83 CO 0.07 0.00 0.07 0.45 0.09 0.00 0.00 178.44 179.11 1wrn h HIS 84 N 0.00 0.94 0.00 1.13 3.86 -1.47 0.05 115.15 119.66 1wrn h HIS 84 Ca 0.09 -0.14 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 1wrn h HIS 84 Cb 0.74 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1wrn h HIS 84 CO 0.00 0.85 -0.38 0.78 0.86 0.00 0.00 177.93 180.03 1wrn h GLY 85 N 0.76 0.00 0.58 2.45 0.00 -1.16 0.15 103.07 105.86 1wrn h GLY 85 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.34 1wrn h GLY 85 CO 0.01 0.00 -0.65 -2.08 0.00 0.00 0.00 176.54 173.82 1wrn h VAL 86 N 0.00 1.55 0.00 4.60 2.07 -1.30 -3.37 116.25 119.80 1wrn h VAL 86 Ca -0.00 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1wrn h VAL 86 Cb 0.92 3.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.86 1wrn h VAL 86 CO 0.05 0.69 -0.69 0.71 0.02 0.00 0.00 177.57 178.35 1wrn h THR 87 N -0.45 0.00 -6.60 2.57 1.35 -0.98 -3.45 112.91 105.35 1wrn h THR 87 Ca -0.11 -0.60 -0.47 0.00 -0.55 0.00 0.00 66.41 64.68 1wrn h THR 87 Cb 1.50 1.17 0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1wrn h THR 87 CO 0.12 0.00 -0.95 0.54 -0.25 0.00 0.00 175.52 174.99 1wrn n ARG 88 N -2.24 -1.11 0.00 4.72 1.74 0.53 -3.73 116.66 116.57 1wrn n ARG 88 Ca 0.03 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 1wrn n ARG 88 Cb 0.46 -2.94 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 1wrn n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wrn n GLY 89 N -1.79 3.18 3.25 -0.13 0.00 -1.26 -5.03 105.19 103.41 1wrn n GLY 89 Ca -0.20 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 1wrn n GLY 89 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wrn s GLU 90 N 0.00 3.18 -1.37 1.61 0.41 -1.24 -5.01 118.70 116.28 1wrn s GLU 90 Ca 0.00 -0.77 -0.07 0.00 -0.41 0.00 0.00 54.97 53.72 1wrn s GLU 90 Cb 0.00 -2.60 0.09 0.00 -1.78 0.00 0.00 34.13 29.84 1wrn s GLU 90 CO 0.00 0.00 2.38 -0.12 -0.49 0.00 0.00 175.26 177.04 1wrn n MET 91 N 4.08 4.22 -4.16 1.61 1.56 -1.26 -4.66 117.12 118.51 1wrn n MET 91 Ca -0.19 -3.24 -0.15 0.00 -0.27 0.00 0.00 57.70 53.84 1wrn n MET 91 Cb 0.52 -2.73 -0.13 0.00 2.15 0.00 0.00 33.22 33.02 1wrn n MET 91 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wrn s LEU 92 N -1.26 2.10 0.00 -0.89 1.43 -1.26 -4.99 118.68 113.81 1wrn s LEU 92 Ca 0.54 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1wrn s LEU 92 Cb 0.17 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 46.11 1wrn s LEU 92 CO -0.07 -0.02 0.00 0.18 0.23 0.00 0.00 176.35 176.67 1wrn n LEU 93 N 2.39 0.00 -0.32 1.79 4.77 -1.26 -4.74 117.00 119.63 1wrn n LEU 93 Ca -0.16 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 55.86 1wrn n LEU 93 Cb 0.57 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.79 1wrn n LEU 93 CO 0.24 0.00 0.70 1.23 -1.33 0.00 0.00 177.39 178.22 1wrn h GLY 94 N 0.00 0.70 2.00 -0.72 0.00 0.64 0.44 103.07 106.12 1wrn h GLY 94 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1wrn h GLY 94 CO 0.00 -0.35 0.00 1.48 0.00 0.00 0.00 176.54 177.67 1wrn h SER 95 N 0.01 0.00 -0.47 0.19 4.64 -1.85 -1.61 113.55 114.46 1wrn h SER 95 Ca 0.44 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.51 1wrn h SER 95 Cb 0.70 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.64 1wrn h SER 95 CO -0.91 0.00 0.01 0.18 -0.87 0.00 0.00 176.83 175.24 1wrn n LEU 96 N -2.93 4.61 -3.78 5.97 4.77 0.12 -4.96 117.00 120.80 1wrn n LEU 96 Ca -0.02 -3.82 -0.25 0.00 -0.03 0.00 0.00 56.01 51.89 1wrn n LEU 96 Cb 0.10 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 40.54 1wrn n LEU 96 CO 0.19 1.28 -0.13 -0.11 -1.33 0.00 0.00 177.39 177.29 1wrn n LEU 97 N -1.11 -2.78 -3.66 2.23 7.94 -0.60 -5.00 117.00 114.01 1wrn n LEU 97 Ca 0.38 -0.94 -0.15 0.00 -1.11 0.00 0.00 56.01 54.20 1wrn n LEU 97 Cb 1.11 -2.44 -0.07 0.00 0.53 0.00 0.00 43.42 42.55 1wrn n LEU 97 CO 0.27 0.43 0.18 0.00 -1.11 0.00 0.00 177.39 177.16 1wrn s ARG 98 N -6.15 0.84 0.10 1.96 1.70 -1.06 -4.48 118.95 111.86 1wrn s ARG 98 Ca 0.13 -0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.31 1wrn s ARG 98 Cb -0.05 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 1wrn s ARG 98 CO 0.85 -0.26 -0.01 -0.08 -1.08 0.00 0.00 175.30 174.72 1wrn s THR 99 N -1.52 0.39 0.11 4.99 -1.32 0.10 -1.27 115.64 117.13 1wrn s THR 99 Ca -0.11 -1.89 0.08 0.00 -1.21 0.00 0.00 61.69 58.55 1wrn s THR 99 Cb -0.03 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.14 1wrn s THR 99 CO 0.05 -0.76 -0.19 0.68 -2.21 0.00 0.00 174.62 172.19 1wrn s VAL 100 N -3.83 1.62 -0.28 5.08 -7.23 0.32 -1.73 120.40 114.36 1wrn s VAL 100 Ca 0.15 -1.60 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1wrn s VAL 100 Cb 0.07 -1.55 0.08 0.00 0.56 0.00 0.00 36.38 35.54 1wrn s VAL 100 CO -0.04 -0.16 0.01 -0.83 -0.31 0.00 0.00 175.10 173.78 1wrn s GLY 101 N -2.08 1.37 0.17 2.32 0.00 -0.89 0.41 107.32 108.63 1wrn s GLY 101 Ca 0.07 -1.69 0.10 0.00 0.00 0.00 0.00 44.72 43.21 1wrn s GLY 101 CO 0.04 1.12 -0.23 1.08 0.00 0.00 0.00 173.10 175.12 1wrn s LEU 102 N 1.35 2.41 -0.08 0.66 1.43 0.85 -2.09 118.68 123.22 1wrn s LEU 102 Ca 0.02 -0.84 0.05 0.00 -1.03 0.00 0.00 54.13 52.33 1wrn s LEU 102 Cb -0.18 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1wrn s LEU 102 CO -0.11 0.08 -0.23 -0.60 0.23 0.00 0.00 176.35 175.71 1wrn s ARG 103 N -2.58 2.78 0.16 1.70 3.52 0.68 0.59 118.95 125.80 1wrn s ARG 103 Ca 0.18 -0.87 0.07 0.00 -0.13 0.00 0.00 55.73 54.97 1wrn s ARG 103 Cb -0.08 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 31.01 1wrn s ARG 103 CO 0.08 0.31 -0.14 -0.59 -0.81 0.00 0.00 175.30 174.15 1wrn s PHE 104 N 0.02 1.53 -0.03 5.12 -0.12 -0.17 -1.20 117.98 123.13 1wrn s PHE 104 Ca -0.09 -0.59 0.00 0.00 -0.05 0.00 0.00 56.93 56.20 1wrn s PHE 104 Cb -0.15 -0.76 0.03 0.00 -0.63 0.00 0.00 43.02 41.51 1wrn s PHE 104 CO 0.05 0.23 0.01 0.00 -0.05 0.00 0.00 175.22 175.46 1wrn s ALA 105 N -2.65 0.21 -0.13 1.99 0.00 -0.10 -2.54 121.76 118.55 1wrn s ALA 105 Ca 0.16 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1wrn s ALA 105 Cb -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1wrn s ALA 105 CO 0.04 -0.09 -0.19 0.08 0.00 0.00 0.00 175.76 175.60 1wrn s VAL 106 N 1.04 2.39 0.03 0.00 1.01 -0.60 -0.65 120.40 123.62 1wrn s VAL 106 Ca -0.10 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.08 1wrn s VAL 106 Cb -0.13 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1wrn s VAL 106 CO -0.02 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 174.63 1wrn s LEU 107 N 0.63 2.13 -0.03 3.92 1.02 -0.30 -0.98 118.68 125.07 1wrn s LEU 107 Ca -0.10 -0.51 0.01 0.00 0.02 0.00 0.00 54.13 53.55 1wrn s LEU 107 Cb -0.16 -1.11 0.02 0.00 0.02 0.00 0.00 46.19 44.96 1wrn s LEU 107 CO 0.03 0.22 -0.02 -0.60 0.02 0.00 0.00 176.35 176.00 1wrn s ARG 108 N -1.01 0.45 0.00 1.70 3.52 -0.36 -0.25 118.95 123.00 1wrn s ARG 108 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 55.73 55.69 1wrn s ARG 108 Cb -0.09 -0.56 0.00 0.00 -1.56 0.00 0.00 34.95 32.74 1wrn s ARG 108 CO 0.01 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 1wrn n GLY 109 N 3.98 -2.22 3.56 8.12 0.00 -0.34 -1.50 105.19 116.80 1wrn n GLY 109 Ca -0.25 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1wrn n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wrn s ASN 110 N -1.50 6.09 0.00 1.61 3.84 -1.26 -0.19 114.94 123.53 1wrn s ASN 110 Ca 0.00 -0.15 0.26 0.00 0.21 0.00 0.00 52.86 53.18 1wrn s ASN 110 Cb 0.00 -2.15 0.60 0.00 -0.55 0.00 0.00 41.25 39.15 1wrn s ASN 110 CO 0.00 -0.17 1.47 -0.81 -2.79 0.00 0.00 177.10 174.80 1wrn n PRO 111 N 5.16 1.51 -3.15 0.43 -0.04 -1.26 -4.97 135.00 132.68 1wrn n PRO 111 Ca -0.12 -1.06 -0.18 0.00 -0.04 0.00 0.00 63.50 62.11 1wrn n PRO 111 Cb 0.51 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1wrn n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1wrn s TYR 112 N -2.22 2.88 0.06 0.54 1.51 -1.26 -1.31 117.35 117.55 1wrn s TYR 112 Ca 0.29 -0.36 -0.18 0.00 -1.01 0.00 0.00 57.07 55.81 1wrn s TYR 112 Cb 0.20 -2.27 -0.14 0.00 -0.11 0.00 0.00 41.96 39.64 1wrn s TYR 112 CO 0.42 -0.30 1.33 0.93 -1.11 0.00 0.00 175.55 176.81 1wrn h GLU 113 N 0.72 0.51 -6.65 -0.62 5.08 -1.56 -3.43 114.58 108.63 1wrn h GLU 113 Ca -0.41 -0.31 -0.52 0.00 -1.00 0.00 0.00 59.36 57.12 1wrn h GLU 113 Cb 1.27 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1wrn h GLU 113 CO 0.47 0.91 0.48 0.45 -1.00 0.00 0.00 179.01 180.32 1wrn s SER 114 N -6.42 7.27 0.29 1.42 0.15 -1.26 -4.92 113.70 110.22 1wrn s SER 114 Ca -0.13 2.08 0.26 0.00 0.70 0.00 0.00 55.95 58.86 1wrn s SER 114 Cb 0.06 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.71 1wrn s SER 114 CO 0.80 -0.22 1.76 1.05 1.20 0.00 0.00 173.24 177.83 1wrn h GLU 115 N 5.14 0.00 0.00 5.44 9.09 -1.98 -3.03 114.58 129.24 1wrn h GLU 115 Ca -0.44 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.97 1wrn h GLU 115 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 1wrn h GLU 115 CO 0.72 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.78 1wrn n ALA 116 N -1.84 2.03 0.52 1.06 0.00 -1.26 -2.68 120.51 118.35 1wrn n ALA 116 Ca 0.03 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1wrn n ALA 116 Cb 0.32 -1.34 0.43 0.00 0.00 0.00 0.00 19.45 18.86 1wrn n ALA 116 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1wrn h GLU 117 N 0.00 0.00 0.00 0.00 4.39 -1.93 -3.49 114.58 113.55 1wrn h GLU 117 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wrn h GLU 117 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1wrn h GLU 117 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1wrn n GLY 118 N 0.82 -0.16 3.86 -3.84 0.00 -1.09 -4.80 105.19 99.99 1wrn n GLY 118 Ca 0.04 -0.98 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 1wrn n GLY 118 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wrn s ASP 119 N -4.00 6.59 0.14 1.61 1.11 -1.26 -4.11 116.67 116.75 1wrn s ASP 119 Ca 0.00 1.24 0.02 0.00 0.18 0.00 0.00 52.55 53.99 1wrn s ASP 119 Cb 0.00 -2.36 -0.04 0.00 1.07 0.00 0.00 42.92 41.58 1wrn s ASP 119 CO 0.00 -0.39 -0.04 0.26 1.18 0.00 0.00 175.17 176.18 1wrn s TRP 120 N -2.33 1.09 -0.03 4.23 0.52 0.74 -1.68 118.94 121.48 1wrn s TRP 120 Ca 0.53 -0.94 0.02 0.00 0.02 0.00 0.00 56.10 55.73 1wrn s TRP 120 Cb -0.10 -0.62 0.01 0.00 -1.15 0.00 0.00 33.47 31.61 1wrn s TRP 120 CO 0.28 -0.15 -0.09 -1.50 0.02 0.00 0.00 176.95 175.51 1wrn s ILE 121 N -3.60 0.79 -0.12 2.03 2.07 0.65 -1.20 121.20 121.82 1wrn s ILE 121 Ca 0.18 -0.35 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 1wrn s ILE 121 Cb 0.05 -0.72 -0.00 0.00 0.13 0.00 0.00 42.46 41.93 1wrn s ILE 121 CO 0.00 0.25 -0.20 0.00 -1.91 0.00 0.00 174.94 173.08 1wrn s ALA 122 N 0.32 2.31 -0.21 1.50 0.00 0.66 -1.57 121.76 124.78 1wrn s ALA 122 Ca -0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 1wrn s ALA 122 Cb -0.10 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1wrn s ALA 122 CO 0.01 0.15 -0.02 0.08 0.00 0.00 0.00 175.76 175.97 1wrn s VAL 123 N 0.55 3.67 -0.02 0.00 1.01 0.79 -1.15 120.40 125.24 1wrn s VAL 123 Ca -0.12 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.52 1wrn s VAL 123 Cb -0.17 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1wrn s VAL 123 CO 0.04 0.43 -0.22 -0.44 0.00 0.00 0.00 175.10 174.91 1wrn s SER 124 N 1.19 2.63 -0.02 3.32 0.01 0.17 0.55 113.70 121.56 1wrn s SER 124 Ca 0.03 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 56.91 1wrn s SER 124 Cb -0.14 -0.38 -0.00 0.00 0.21 0.00 0.00 66.02 65.70 1wrn s SER 124 CO 0.00 0.26 -0.11 -0.76 0.41 0.00 0.00 173.24 173.05 1wrn s LEU 125 N -0.43 1.90 -0.10 2.44 1.43 0.92 -0.92 118.68 123.93 1wrn s LEU 125 Ca 0.06 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.85 1wrn s LEU 125 Cb -0.09 -0.59 0.03 0.00 0.03 0.00 0.00 46.19 45.56 1wrn s LEU 125 CO -0.00 0.10 0.29 -0.47 0.23 0.00 0.00 176.35 176.50 1wrn s TYR 126 N -0.03 -0.30 -4.31 0.29 5.04 -0.34 -1.91 117.35 115.79 1wrn s TYR 126 Ca 0.00 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 1wrn s TYR 126 Cb -0.07 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.35 1wrn s TYR 126 CO 0.00 -0.18 0.00 0.41 -1.34 0.00 0.00 175.55 174.44 1wrn n GLY 127 N 2.72 -0.54 3.47 8.97 0.00 -1.09 -0.23 105.19 118.50 1wrn n GLY 127 Ca -0.14 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1wrn n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wrn s THR 128 N -3.99 2.82 -0.08 2.61 -4.23 -0.89 -0.83 115.64 111.05 1wrn s THR 128 Ca 0.00 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.19 1wrn s THR 128 Cb 0.00 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.63 1wrn s THR 128 CO 0.00 0.23 -0.06 -0.51 -0.54 0.00 0.00 174.62 173.74 1wrn s ILE 129 N -1.02 0.79 0.00 2.99 2.07 -0.67 -2.09 121.20 123.28 1wrn s ILE 129 Ca 0.16 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 1wrn s ILE 129 Cb -0.11 -0.82 0.00 0.00 0.13 0.00 0.00 42.46 41.66 1wrn s ILE 129 CO 0.07 0.31 0.00 0.61 -1.91 0.00 0.00 174.94 174.02 1wrn n GLY 130 N 4.56 1.82 3.76 1.50 0.00 -0.71 -2.83 105.19 113.30 1wrn n GLY 130 Ca -0.16 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 1wrn n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wrn s ALA 131 N -1.00 2.01 0.00 4.61 0.00 -0.37 0.01 121.76 127.03 1wrn s ALA 131 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1wrn s ALA 131 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1wrn s ALA 131 CO 0.00 -1.94 0.68 -2.30 0.00 0.00 0.00 175.76 172.20 1wrn n PRO 132 N -3.61 0.41 -4.06 0.00 -0.02 -1.26 -4.63 135.00 121.83 1wrn n PRO 132 Ca 0.08 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.44 1wrn n PRO 132 Cb 0.55 -1.30 -0.11 0.00 -0.02 0.00 0.00 33.50 32.62 1wrn n PRO 132 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1wrn s ILE 133 N 0.98 0.43 0.02 4.25 1.01 -1.26 -5.12 121.20 121.50 1wrn s ILE 133 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 1wrn s ILE 133 Cb 0.00 -0.74 -0.07 0.00 0.01 0.00 0.00 42.46 41.66 1wrn s ILE 133 CO 0.00 -0.53 1.19 0.07 0.00 0.00 0.00 174.94 175.67 1wrn h LYS 134 N 4.22 -0.42 -0.98 2.79 5.09 -2.02 -3.25 116.57 122.00 1wrn h LYS 134 Ca -0.35 0.03 -0.03 0.00 0.09 0.00 0.00 60.65 60.39 1wrn h LYS 134 Cb 1.19 0.09 -0.02 0.00 0.10 0.00 0.00 32.23 33.60 1wrn h LYS 134 CO 0.46 -0.28 0.04 0.41 -2.09 0.00 0.00 179.45 177.99 1wrn n GLY 135 N -1.22 2.01 2.60 0.07 0.00 -1.26 -4.49 105.19 102.91 1wrn n GLY 135 Ca -0.05 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 1wrn n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wrn n LEU 136 N 0.23 3.27 0.00 0.99 4.77 -1.23 -5.04 117.00 119.99 1wrn n LEU 136 Ca 0.05 -5.31 -0.02 0.00 -0.03 0.00 0.00 56.01 50.70 1wrn n LEU 136 Cb 0.51 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1wrn n LEU 136 CO 0.05 1.94 0.65 -1.84 -1.33 0.00 0.00 177.39 176.85 1wrn n GLU 137 N 1.34 0.45 -2.28 3.23 0.00 -1.26 -1.24 120.64 120.89 1wrn n GLU 137 Ca 0.26 -1.06 -0.04 0.00 0.00 0.00 0.00 57.16 56.31 1wrn n GLU 137 Cb 0.39 1.46 -0.01 0.00 0.00 0.00 0.00 31.44 33.28 1wrn n GLU 137 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1wrn n HIS 138 N -0.57 -0.82 -2.85 -1.84 1.44 -1.13 -4.98 115.22 104.47 1wrn n HIS 138 Ca -0.01 -0.72 -0.35 0.00 -2.01 0.00 0.00 57.72 54.62 1wrn n HIS 138 Cb 0.44 0.19 -0.07 0.00 0.12 0.00 0.00 29.99 30.67 1wrn n HIS 138 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1wrn s GLU 139 N -2.23 4.40 -0.01 -1.40 2.02 -1.26 -1.67 118.70 118.55 1wrn s GLU 139 Ca 0.09 1.17 0.02 0.00 0.02 0.00 0.00 54.97 56.26 1wrn s GLU 139 Cb -0.00 -2.59 -0.00 0.00 0.10 0.00 0.00 34.13 31.64 1wrn s GLU 139 CO 0.06 0.19 -0.07 -0.08 0.02 0.00 0.00 175.26 175.38 1wrn s THR 140 N -1.81 0.58 0.04 3.63 -1.32 -0.01 -4.78 115.64 111.97 1wrn s THR 140 Ca 0.53 -0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.77 1wrn s THR 140 Cb -0.15 -0.51 -0.02 0.00 -1.51 0.00 0.00 72.50 70.31 1wrn s THR 140 CO 0.20 0.18 -0.11 0.12 -2.21 0.00 0.00 174.62 172.79 1wrn s PHE 141 N 0.02 0.94 -0.20 9.09 2.19 -1.26 -2.67 117.98 126.08 1wrn s PHE 141 Ca 0.00 -0.41 -0.17 0.00 0.33 0.00 0.00 56.93 56.68 1wrn s PHE 141 Cb -0.05 -0.55 0.06 0.00 -1.31 0.00 0.00 43.02 41.16 1wrn s PHE 141 CO -0.00 -0.01 0.53 0.20 1.83 0.00 0.00 175.22 177.77 1wrn s GLY 142 N -1.36 -0.41 -0.05 13.12 0.00 -0.81 -2.79 107.32 115.02 1wrn s GLY 142 Ca -0.04 1.59 -0.01 0.00 0.00 0.00 0.00 44.72 46.26 1wrn s GLY 142 CO 0.01 1.44 0.02 0.14 0.00 0.00 0.00 173.10 174.71 1wrn s VAL 143 N 0.54 0.20 -0.08 1.40 1.01 -1.26 -0.05 120.40 122.15 1wrn s VAL 143 Ca -0.02 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.19 1wrn s VAL 143 Cb -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1wrn s VAL 143 CO -0.03 0.21 -0.16 -0.83 0.00 0.00 0.00 175.10 174.30 1wrn s GLY 144 N 1.82 1.50 -0.09 4.51 0.00 0.19 -4.28 107.32 110.97 1wrn s GLY 144 Ca 0.02 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1wrn s GLY 144 CO -0.04 -0.52 -0.11 -0.42 0.00 0.00 0.00 173.10 172.01 1wrn s ILE 145 N -0.21 1.17 0.05 0.90 1.01 -1.26 -0.15 121.20 122.71 1wrn s ILE 145 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.16 1wrn s ILE 145 Cb -0.13 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 1wrn s ILE 145 CO 0.03 0.37 0.05 0.21 0.00 0.00 0.00 174.94 175.61 1wrn s ASN 146 N 1.03 0.30 0.14 3.58 3.04 -0.61 -4.90 114.94 117.51 1wrn s ASN 146 Ca -0.07 -0.73 -0.20 0.00 0.04 0.00 0.00 52.86 51.89 1wrn s ASN 146 Cb -0.15 0.23 -0.07 0.00 -1.54 0.00 0.00 41.25 39.72 1wrn s ASN 146 CO -0.01 -0.57 0.65 -1.38 -3.04 0.00 0.00 177.10 172.76 1wrn s HIS 147 N -3.25 3.78 0.00 0.43 -3.43 -1.26 -0.25 115.29 111.31 1wrn s HIS 147 Ca 0.01 1.36 0.00 0.00 -0.80 0.00 0.00 55.06 55.63 1wrn s HIS 147 Cb 0.03 -2.57 0.00 0.00 -1.43 0.00 0.00 32.58 28.60 1wrn s HIS 147 CO -0.08 0.50 0.07 1.51 -2.00 0.00 0.00 174.74 174.74