#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 3.39 -0.08 -4.42 1.43 -1.26 -3.50 118.68 114.24 1wrn s LEU 3 Ca 0.00 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1wrn s LEU 3 Cb 0.00 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1wrn s LEU 3 CO 0.00 -1.06 -0.18 -1.38 0.23 0.00 0.00 176.35 173.95 1wrn s HIS 4 N -2.54 2.63 0.35 0.29 0.00 -1.24 -4.71 115.29 110.08 1wrn s HIS 4 Ca 0.58 -0.54 0.11 0.00 -3.00 0.00 0.00 55.06 52.21 1wrn s HIS 4 Cb -0.08 -1.68 0.66 0.00 -4.00 0.00 0.00 32.58 27.48 1wrn s HIS 4 CO 0.36 -0.10 1.81 0.87 -1.00 0.00 0.00 174.74 176.68 1wrn h LYS 5 N 6.05 0.10 0.00 -0.38 1.79 -2.00 -3.07 116.57 119.06 1wrn h LYS 5 Ca -0.34 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.09 1wrn h LYS 5 Cb 1.18 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 1wrn h LYS 5 CO 0.51 0.44 -0.75 0.93 -1.08 0.00 0.00 179.45 179.49 1wrn h GLU 6 N 0.09 0.00 -1.89 3.15 4.39 -1.98 -3.41 114.58 114.93 1wrn h GLU 6 Ca 0.01 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.23 1wrn h GLU 6 Cb 0.66 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.90 1wrn h GLU 6 CO 0.05 0.00 -1.11 2.89 -1.16 0.00 0.00 179.01 179.68 1wrn n ARG 7 N -2.18 1.38 -3.15 2.33 1.85 -1.16 -5.02 116.66 110.71 1wrn n ARG 7 Ca 0.03 -3.60 -0.45 0.00 -1.00 0.00 0.00 57.85 52.82 1wrn n ARG 7 Cb 0.46 -1.74 -0.03 0.00 -1.05 0.00 0.00 32.46 30.10 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 -2.70 3.45 0.47 2.89 0.52 -1.23 -4.33 118.95 118.02 1wrn s ARG 8 Ca 0.40 -1.95 0.32 0.00 -0.52 0.00 0.00 55.73 53.98 1wrn s ARG 8 Cb 0.36 -4.54 1.44 0.00 0.52 0.00 0.00 34.95 32.72 1wrn s ARG 8 CO -0.08 -1.50 1.69 0.97 0.02 0.00 0.00 175.30 176.40 1wrn h ILE 9 N 5.41 0.26 0.44 1.52 2.10 -1.93 -1.09 117.51 124.22 1wrn h ILE 9 Ca 0.02 -0.04 -0.02 0.00 1.08 0.00 0.00 64.86 65.89 1wrn h ILE 9 Cb 1.05 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1wrn h ILE 9 CO 0.95 0.02 -0.21 1.23 -1.08 0.00 0.00 178.15 179.07 1wrn h GLY 10 N 0.12 -0.61 0.01 8.18 0.00 -1.97 -1.81 103.07 106.99 1wrn h GLY 10 Ca 0.73 0.23 0.05 0.00 0.00 0.00 0.00 47.33 48.34 1wrn h GLY 10 CO -0.23 -0.22 -0.36 -0.09 0.00 0.00 0.00 176.54 175.64 1wrn h ARG 11 N -1.14 -0.37 -0.19 4.80 2.43 -1.80 -1.86 114.38 116.26 1wrn h ARG 11 Ca -0.06 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1wrn h ARG 11 Cb 0.45 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 1wrn h ARG 11 CO 0.10 -0.25 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.06 1wrn h LEU 12 N -0.39 -0.58 -1.43 3.80 3.38 -1.35 -1.32 115.31 117.42 1wrn h LEU 12 Ca 0.11 0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.35 1wrn h LEU 12 Cb 0.57 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 1wrn h LEU 12 CO -0.42 -0.23 0.56 0.77 0.09 0.00 0.00 178.44 179.21 1wrn h SER 13 N -0.21 0.51 -0.02 -0.43 4.64 -0.85 -1.77 113.55 115.42 1wrn h SER 13 Ca 0.12 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1wrn h SER 13 Cb 0.38 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1wrn h SER 13 CO -0.31 0.24 -0.06 0.58 -0.87 0.00 0.00 176.83 176.41 1wrn h VAL 14 N 0.53 1.48 -0.76 0.95 2.07 -0.53 -2.78 116.25 117.21 1wrn h VAL 14 Ca 0.43 -1.51 0.17 0.00 0.82 0.00 0.00 66.70 66.62 1wrn h VAL 14 Cb 0.90 2.44 -0.11 0.00 -1.52 0.00 0.00 31.29 32.99 1wrn h VAL 14 CO -0.18 0.40 0.18 -0.07 0.02 0.00 0.00 177.57 177.92 1wrn h LEU 15 N -0.52 -0.00 -1.26 2.57 3.38 -0.45 0.40 115.31 119.43 1wrn h LEU 15 Ca -0.00 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1wrn h LEU 15 Cb 0.69 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1wrn h LEU 15 CO 0.01 -0.06 -0.23 0.25 0.09 0.00 0.00 178.44 178.51 1wrn h LEU 16 N 0.26 0.21 -0.24 1.67 5.85 -1.41 -2.54 115.31 119.11 1wrn h LEU 16 Ca 0.43 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.97 1wrn h LEU 16 Cb 0.75 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1wrn h LEU 16 CO -0.53 0.45 -0.36 0.25 -0.34 0.00 0.00 178.44 177.91 1wrn h LEU 17 N 0.20 0.72 -0.02 2.25 5.85 0.01 -3.30 115.31 121.02 1wrn h LEU 17 Ca 0.03 -0.52 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 1wrn h LEU 17 Cb 0.52 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1wrn h LEU 17 CO 0.04 1.10 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.92 1wrn h LEU 18 N 0.37 0.00 -9.26 2.25 3.38 -1.02 -3.45 115.31 107.57 1wrn h LEU 18 Ca 0.02 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.43 1wrn h LEU 18 Cb 0.94 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 1wrn h LEU 18 CO 0.08 0.24 0.44 0.20 0.09 0.00 0.00 178.44 179.50 1wrn s ASN 19 N -6.33 7.15 -0.04 -0.43 0.01 -0.96 -4.99 114.94 109.35 1wrn s ASN 19 Ca 0.05 1.41 -0.23 0.00 -0.71 0.00 0.00 52.86 53.38 1wrn s ASN 19 Cb 0.06 -2.51 -0.17 0.00 0.41 0.00 0.00 41.25 39.04 1wrn s ASN 19 CO 0.70 -0.38 1.00 1.05 -1.51 0.00 0.00 177.10 177.97 1wrn h GLU 20 N 7.09 -0.18 0.00 -0.60 4.11 -1.88 -3.48 114.58 119.64 1wrn h GLU 20 Ca -0.33 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1wrn h GLU 20 Cb 1.16 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wrn h GLU 20 CO 0.83 0.27 0.00 0.00 0.07 0.00 0.00 179.01 180.18 1wrn n ALA 21 N -2.51 0.00 -3.64 1.06 0.00 -1.26 -5.04 120.51 109.13 1wrn n ALA 21 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1wrn n ALA 21 Cb 0.27 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.56 1wrn n ALA 21 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wrn s GLU 23 N 2.91 0.83 0.52 0.00 2.56 -1.26 -4.82 118.70 119.44 1wrn s GLU 23 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.97 54.89 1wrn s GLU 23 Cb 0.00 -0.87 0.02 0.00 2.00 0.00 0.00 34.13 35.28 1wrn s GLU 23 CO 0.00 -0.10 0.74 -1.54 -0.56 0.00 0.00 175.26 173.80 1wrn s SER 24 N 1.01 5.44 -0.62 -1.70 1.04 -1.26 -5.07 113.70 112.54 1wrn s SER 24 Ca -0.10 0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 1wrn s SER 24 Cb -0.14 -1.03 0.16 0.00 0.10 0.00 0.00 66.02 65.11 1wrn s SER 24 CO -0.00 -1.01 0.44 -0.89 0.98 0.00 0.00 173.24 172.76 1wrn s THR 25 N -2.69 3.79 -0.32 2.02 2.01 -1.26 -4.86 115.64 114.33 1wrn s THR 25 Ca 0.55 -2.86 0.27 0.00 0.31 0.00 0.00 61.69 59.96 1wrn s THR 25 Cb -0.10 -3.47 0.33 0.00 0.01 0.00 0.00 72.50 69.27 1wrn s THR 25 CO 0.38 -0.87 1.79 0.06 -0.69 0.00 0.00 174.62 175.28 1wrn h GLN 26 N 7.15 0.00 -0.36 4.92 3.07 -1.97 -2.93 115.11 124.99 1wrn h GLN 26 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.56 1wrn h GLN 26 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.52 1wrn h GLN 26 CO 0.72 0.00 -0.41 0.28 0.09 0.00 0.00 178.83 179.51 1wrn h VAL 27 N 0.00 1.27 -0.58 1.86 2.07 -2.00 -2.71 116.25 116.17 1wrn h VAL 27 Ca 0.00 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1wrn h VAL 27 Cb 0.67 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1wrn h VAL 27 CO 0.00 0.53 0.38 -0.33 0.02 0.00 0.00 177.57 178.17 1wrn h GLU 28 N 0.72 0.77 0.57 1.57 3.07 -1.93 -0.73 114.58 118.62 1wrn h GLU 28 Ca 0.05 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1wrn h GLU 28 Cb 1.01 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1wrn h GLU 28 CO 0.10 0.52 -0.31 1.05 -1.40 0.00 0.00 179.01 178.97 1wrn h GLU 29 N 0.79 -0.78 -0.30 2.33 4.11 -1.56 -0.17 114.58 119.01 1wrn h GLU 29 Ca 0.21 0.05 0.03 0.00 0.07 0.00 0.00 59.36 59.73 1wrn h GLU 29 Cb -0.08 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1wrn h GLU 29 CO -0.04 -0.52 0.10 -0.07 0.07 0.00 0.00 179.01 178.55 1wrn h LEU 30 N -0.81 0.12 0.72 3.06 3.38 -1.37 -2.59 115.31 117.81 1wrn h LEU 30 Ca -0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1wrn h LEU 30 Cb 0.64 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1wrn h LEU 30 CO 0.10 0.10 -0.38 -0.33 0.09 0.00 0.00 178.44 178.02 1wrn h GLU 31 N 0.24 -0.98 -0.64 1.13 5.08 -1.08 -0.86 114.58 117.47 1wrn h GLU 31 Ca 0.13 0.07 0.19 0.00 -1.00 0.00 0.00 59.36 58.74 1wrn h GLU 31 Cb 0.10 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1wrn h GLU 31 CO -0.13 -0.65 0.84 0.00 -1.00 0.00 0.00 179.01 178.06 1wrn h ARG 32 N -1.01 0.00 -1.96 2.33 2.47 -0.93 0.26 114.38 115.53 1wrn h ARG 32 Ca -0.09 0.00 -0.75 0.00 -1.26 0.00 0.00 59.98 57.88 1wrn h ARG 32 Cb 0.80 0.00 -0.29 0.00 -1.65 0.00 0.00 29.97 28.83 1wrn h ARG 32 CO 0.13 0.00 0.81 -0.25 0.56 0.00 0.00 179.97 181.22 1wrn n ASP 33 N -3.34 7.12 -3.80 7.04 8.00 -0.34 -4.91 116.55 126.32 1wrn n ASP 33 Ca 0.14 -3.81 -0.34 0.00 0.71 0.00 0.00 54.79 51.49 1wrn n ASP 33 Cb 1.06 -0.99 0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1wrn n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wrn n GLY 34 N -0.49 -1.01 2.78 0.44 0.00 0.08 -4.96 105.19 102.03 1wrn n GLY 34 Ca 0.51 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.81 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 -3.37 -0.02 -0.10 1.61 0.52 -1.15 -4.73 118.94 111.69 1wrn s TRP 35 Ca 0.37 0.26 -0.21 0.00 0.02 0.00 0.00 56.10 56.55 1wrn s TRP 35 Cb -0.17 -0.26 -0.04 0.00 -1.15 0.00 0.00 33.47 31.85 1wrn s TRP 35 CO 0.90 -0.14 0.59 -1.59 0.02 0.00 0.00 176.95 176.73 1wrn s LYS 36 N 1.43 4.37 0.00 4.98 0.00 0.20 -4.06 119.74 126.66 1wrn s LYS 36 Ca -0.05 0.65 0.04 0.00 0.00 0.00 0.00 55.97 56.61 1wrn s LYS 36 Cb -0.12 -3.46 -0.01 0.00 0.00 0.00 0.00 37.83 34.24 1wrn s LYS 36 CO -0.04 0.08 -0.11 0.08 0.00 0.00 0.00 175.35 175.35 1wrn s VAL 37 N 0.83 0.90 0.07 1.79 1.01 -1.26 -0.37 120.40 123.37 1wrn s VAL 37 Ca 0.31 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1wrn s VAL 37 Cb -0.16 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1wrn s VAL 37 CO 0.14 0.17 -0.12 0.00 0.00 0.00 0.00 175.10 175.28 1wrn s LEU 39 N -1.85 -0.30 0.28 0.00 1.43 -1.26 -2.17 118.68 114.80 1wrn s LEU 39 Ca -0.02 0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 53.87 1wrn s LEU 39 Cb -0.09 1.43 0.01 0.00 0.03 0.00 0.00 46.19 47.57 1wrn s LEU 39 CO 0.02 -0.21 0.65 -0.83 0.23 0.00 0.00 176.35 176.21 1wrn s GLY 40 N 1.74 0.17 -0.03 -3.19 0.00 -0.83 -5.03 107.32 100.15 1wrn s GLY 40 Ca -0.08 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.12 1wrn s GLY 40 CO -0.13 -0.29 -0.08 0.54 0.00 0.00 0.00 173.10 173.14 1wrn s LYS 41 N -3.81 0.88 -0.01 2.90 1.02 -1.26 0.33 119.74 119.78 1wrn s LYS 41 Ca 0.15 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 55.89 1wrn s LYS 41 Cb -0.04 -0.83 0.01 0.00 -0.52 0.00 0.00 37.83 36.45 1wrn s LYS 41 CO 0.08 0.08 -0.01 0.54 -0.92 0.00 0.00 175.35 175.12 1wrn s VAL 42 N 0.28 0.18 -0.20 3.17 0.11 0.35 -4.97 120.40 119.32 1wrn s VAL 42 Ca -0.04 -0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1wrn s VAL 42 Cb -0.09 -0.21 0.05 0.00 -1.53 0.00 0.00 36.38 34.60 1wrn s VAL 42 CO 0.00 0.09 -0.09 -0.83 -3.33 0.00 0.00 175.10 170.94 1wrn s GLY 43 N 0.42 1.26 0.08 6.54 0.00 -1.26 0.53 107.32 114.90 1wrn s GLY 43 Ca -0.04 -1.22 -0.11 0.00 0.00 0.00 0.00 44.72 43.35 1wrn s GLY 43 CO -0.01 0.74 0.24 -0.45 0.00 0.00 0.00 173.10 173.63 1wrn s SER 44 N 1.40 0.02 0.00 1.64 0.15 -0.26 -4.97 113.70 111.68 1wrn s SER 44 Ca -0.02 -0.50 0.21 0.00 0.70 0.00 0.00 55.95 56.34 1wrn s SER 44 Cb -0.17 0.36 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 1wrn s SER 44 CO -0.08 -0.72 1.07 0.80 1.20 0.00 0.00 173.24 175.52 1wrn n MET 45 N 0.07 1.56 -4.24 5.44 1.56 -1.26 -1.98 117.12 118.27 1wrn n MET 45 Ca -0.16 -1.21 -0.33 0.00 -0.27 0.00 0.00 57.70 55.73 1wrn n MET 45 Cb 0.62 -1.42 -0.16 0.00 2.15 0.00 0.00 33.22 34.41 1wrn n MET 45 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1wrn s ASP 46 N -2.17 3.43 0.44 6.12 1.01 -1.26 -1.24 116.67 123.00 1wrn s ASP 46 Ca 0.20 -0.56 0.20 0.00 0.71 0.00 0.00 52.55 53.09 1wrn s ASP 46 Cb 0.17 -1.54 1.01 0.00 1.01 0.00 0.00 42.92 43.58 1wrn s ASP 46 CO 0.45 0.02 1.91 0.00 0.21 0.00 0.00 175.17 177.77 1wrn h ALA 47 N 7.76 1.29 0.00 5.23 0.00 -1.93 -2.68 119.26 128.93 1wrn h ALA 47 Ca -0.41 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.20 1wrn h ALA 47 Cb 1.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1wrn h ALA 47 CO 0.61 0.32 -0.34 1.12 0.00 0.00 0.00 179.25 180.95 1wrn h HIS 48 N 0.00 0.00 0.00 0.00 2.07 -1.98 -2.09 115.15 113.15 1wrn h HIS 48 Ca -0.00 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.46 1wrn h HIS 48 Cb 0.55 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.53 1wrn h HIS 48 CO 0.00 0.34 -0.29 0.87 -3.07 0.00 0.00 177.93 175.78 1wrn h LYS 49 N 0.00 0.00 0.01 5.12 1.57 -1.91 -0.95 116.57 120.41 1wrn h LYS 49 Ca -0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 1wrn h LYS 49 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1wrn h LYS 49 CO 0.04 0.29 -0.89 0.28 -0.57 0.00 0.00 179.45 178.60 1wrn h VAL 50 N 0.00 1.57 -0.08 0.50 2.07 -1.45 -1.72 116.25 117.15 1wrn h VAL 50 Ca -0.00 -2.86 -0.13 0.00 0.82 0.00 0.00 66.70 64.53 1wrn h VAL 50 Cb 0.59 2.58 0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1wrn h VAL 50 CO 0.04 0.82 -0.46 0.40 0.02 0.00 0.00 177.57 178.39 1wrn h ILE 51 N 0.04 1.39 0.60 4.57 2.04 -1.16 -2.95 117.51 122.05 1wrn h ILE 51 Ca -0.03 -1.83 -0.03 0.00 1.00 0.00 0.00 64.86 63.97 1wrn h ILE 51 Cb 1.55 2.30 0.01 0.00 -0.74 0.00 0.00 36.82 39.94 1wrn h ILE 51 CO 0.13 0.54 -0.29 0.00 0.00 0.00 0.00 178.15 178.53 1wrn h ALA 52 N 0.44 -0.81 -0.33 1.87 0.00 -1.22 -1.67 119.26 117.53 1wrn h ALA 52 Ca -0.04 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1wrn h ALA 52 Cb 1.12 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1wrn h ALA 52 CO 0.09 -0.93 -0.28 0.00 0.00 0.00 0.00 179.25 178.14 1wrn h ALA 53 N -0.50 -0.41 -0.50 0.00 0.00 -1.40 0.14 119.26 116.59 1wrn h ALA 53 Ca -0.08 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1wrn h ALA 53 Cb 0.64 1.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1wrn h ALA 53 CO 0.14 -0.57 0.06 0.82 0.00 0.00 0.00 179.25 179.69 1wrn h ILE 54 N -0.10 0.67 0.18 0.00 2.04 -1.56 -1.85 117.51 116.89 1wrn h ILE 54 Ca 0.05 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1wrn h ILE 54 Cb 0.25 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1wrn h ILE 54 CO -0.37 0.03 -0.41 -0.08 0.00 0.00 0.00 178.15 177.33 1wrn h GLU 55 N 0.18 -0.62 -0.64 2.37 4.81 -0.33 -0.57 114.58 119.78 1wrn h GLU 55 Ca 0.25 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.64 1wrn h GLU 55 Cb 0.36 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 1wrn h GLU 55 CO -0.37 -0.42 0.19 1.15 -0.73 0.00 0.00 179.01 178.83 1wrn h THR 56 N -0.65 0.67 -0.53 0.32 2.02 -0.56 -0.29 112.91 113.90 1wrn h THR 56 Ca -0.02 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.00 1wrn h THR 56 Cb 0.62 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1wrn h THR 56 CO -0.17 0.06 0.11 0.00 0.37 0.00 0.00 175.52 175.89 1wrn h ALA 57 N 1.48 1.21 0.00 6.16 0.00 -1.19 0.12 119.26 127.04 1wrn h ALA 57 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wrn h ALA 57 Cb 0.48 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1wrn h ALA 57 CO -0.38 0.54 0.00 0.77 0.00 0.00 0.00 179.25 180.18 1wrn h SER 58 N 0.78 0.00 0.07 0.00 0.02 0.57 -1.51 113.55 113.48 1wrn h SER 58 Ca 0.17 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.77 1wrn h SER 58 Cb 0.31 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1wrn h SER 58 CO 0.00 0.00 -1.95 0.29 -1.14 0.00 0.00 176.83 174.03 1wrn n LYS 59 N -2.56 0.69 0.45 3.45 5.02 -0.28 -1.24 118.16 123.69 1wrn n LYS 59 Ca 0.01 0.32 -0.17 0.00 -2.02 0.00 0.00 58.31 56.44 1wrn n LYS 59 Cb 0.24 -1.67 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 1wrn n LYS 59 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1wrn h LYS 60 N -0.27 -1.10 -6.30 1.97 3.64 -0.71 -3.34 116.57 110.47 1wrn h LYS 60 Ca -0.45 0.07 -0.57 0.00 -1.27 0.00 0.00 60.65 58.43 1wrn h LYS 60 Cb 1.82 0.25 -0.05 0.00 -0.41 0.00 0.00 32.23 33.84 1wrn h LYS 60 CO -0.05 -0.73 0.95 -1.54 -2.27 0.00 0.00 179.45 175.81 1wrn s SER 61 N -3.74 6.74 0.00 4.20 1.04 -0.58 -4.82 113.70 116.54 1wrn s SER 61 Ca -0.17 1.33 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1wrn s SER 61 Cb 0.02 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.60 1wrn s SER 61 CO 0.50 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1wrn n GLY 62 N 4.13 0.25 0.17 7.32 0.00 -1.25 -4.10 105.19 111.70 1wrn n GLY 62 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 1.48 1.21 -2.23 1.61 2.07 -1.70 -3.44 116.25 115.24 1wrn h VAL 63 Ca 0.00 -0.69 -0.56 0.00 0.82 0.00 0.00 66.70 66.27 1wrn h VAL 63 Cb 0.00 1.05 -0.13 0.00 -1.52 0.00 0.00 31.29 30.69 1wrn h VAL 63 CO 0.00 0.23 -0.54 0.27 0.02 0.00 0.00 177.57 177.55 1wrn s ILE 64 N -5.37 0.89 -0.00 4.57 -4.36 -0.37 -4.88 121.20 111.69 1wrn s ILE 64 Ca -0.13 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.00 1wrn s ILE 64 Cb 0.09 -2.45 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1wrn s ILE 64 CO 0.74 0.00 0.80 -1.10 0.24 0.00 0.00 174.94 175.63 1wrn s GLN 65 N -3.78 4.50 0.21 0.37 1.11 -1.26 -4.62 119.66 116.19 1wrn s GLN 65 Ca 0.24 1.10 0.02 0.00 0.01 0.00 0.00 55.36 56.73 1wrn s GLN 65 Cb 0.04 -3.42 0.16 0.00 -1.01 0.00 0.00 33.01 28.78 1wrn s GLN 65 CO 0.13 0.13 1.50 1.03 0.01 0.00 0.00 175.29 178.09 1wrn h SER 66 N 6.30 0.38 -3.00 5.90 0.87 -1.92 -3.43 113.55 118.66 1wrn h SER 66 Ca -0.42 -0.23 -0.61 0.00 -1.23 0.00 0.00 61.79 59.30 1wrn h SER 66 Cb 1.21 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 1wrn h SER 66 CO 0.73 0.92 -0.39 -1.61 -0.53 0.00 0.00 176.83 175.96 1wrn s GLU 67 N -3.72 3.55 0.00 2.24 8.01 -1.26 -4.97 118.70 122.55 1wrn s GLU 67 Ca -0.05 -0.18 0.00 0.00 0.01 0.00 0.00 54.97 54.75 1wrn s GLU 67 Cb 0.11 -2.99 0.00 0.00 -4.31 0.00 0.00 34.13 26.94 1wrn s GLU 67 CO 0.82 0.58 0.00 0.41 0.01 0.00 0.00 175.26 177.07 1wrn n GLY 68 N 0.54 -1.47 0.00 -1.39 0.00 -1.26 -4.91 105.19 96.70 1wrn n GLY 68 Ca -0.06 -2.09 0.00 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 0.00 0.00 -0.37 1.61 9.36 -1.26 -4.75 117.16 121.74 1wrn n TYR 69 Ca 0.00 0.00 0.35 0.00 3.32 0.00 0.00 57.90 61.57 1wrn n TYR 69 Cb 0.00 0.00 0.71 0.00 -0.63 0.00 0.00 39.34 39.42 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 0.07 0.07 2.98 2.43 -1.98 0.29 114.38 118.24 1wrn h ARG 70 Ca 0.00 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 1wrn h ARG 70 Cb 0.21 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1wrn h ARG 70 CO 0.00 0.05 -0.90 0.93 -1.51 0.00 0.00 179.97 178.54 1wrn h GLU 71 N 0.07 0.14 0.00 0.20 5.08 -1.89 -3.20 114.58 114.98 1wrn h GLU 71 Ca 0.63 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1wrn h GLU 71 Cb 2.31 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.65 1wrn h GLU 71 CO -0.09 1.12 0.00 0.77 -1.00 0.00 0.00 179.01 179.81 1wrn h SER 72 N -0.64 0.00 0.15 1.42 0.02 -1.27 -2.62 113.55 110.60 1wrn h SER 72 Ca -0.20 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.49 1wrn h SER 72 Cb 1.45 0.00 0.01 0.00 0.14 0.00 0.00 62.40 64.00 1wrn h SER 72 CO 0.01 0.00 -1.23 -0.74 -1.14 0.00 0.00 176.83 173.73 1wrn h HIS 73 N 0.00 0.57 0.00 3.45 6.17 -0.62 -2.67 115.15 122.06 1wrn h HIS 73 Ca 0.00 -0.42 -0.04 0.00 0.71 0.00 0.00 60.37 60.62 1wrn h HIS 73 Cb 0.08 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 29.98 1wrn h HIS 73 CO 0.00 1.48 -0.21 0.00 0.71 0.00 0.00 177.93 179.91 1wrn h ALA 74 N 0.04 1.41 0.00 5.26 0.00 -1.47 -2.63 119.26 121.87 1wrn h ALA 74 Ca -0.24 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.26 1wrn h ALA 74 Cb 1.80 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.52 1wrn h ALA 74 CO 0.13 0.26 -1.21 1.25 0.00 0.00 0.00 179.25 179.67 1wrn h LEU 75 N 0.00 0.00 -0.42 0.00 5.85 -1.57 -3.11 115.31 116.06 1wrn h LEU 75 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 1wrn h LEU 75 Cb 0.43 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1wrn h LEU 75 CO 0.03 0.91 0.05 0.22 -0.34 0.00 0.00 178.44 179.30 1wrn h TYR 76 N 0.00 0.76 0.00 1.25 3.20 -1.10 0.27 116.97 121.35 1wrn h TYR 76 Ca -0.11 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.53 1wrn h TYR 76 Cb 1.79 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.84 1wrn h TYR 76 CO 0.00 0.74 -0.52 0.45 -1.64 0.00 0.00 178.16 177.19 1wrn h HIS 77 N 0.55 0.00 -0.13 -3.82 3.86 -1.65 0.36 115.15 114.32 1wrn h HIS 77 Ca 0.12 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 1wrn h HIS 77 Cb 0.41 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 1wrn h HIS 77 CO 0.03 0.52 -0.09 0.00 0.86 0.00 0.00 177.93 179.25 1wrn h ALA 78 N 1.48 0.19 -0.21 2.45 0.00 -1.42 0.26 119.26 122.02 1wrn h ALA 78 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1wrn h ALA 78 Cb 1.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1wrn h ALA 78 CO 0.07 0.01 0.10 1.15 0.00 0.00 0.00 179.25 180.58 1wrn h THR 79 N -0.06 1.00 -0.11 0.00 2.02 -0.78 -1.36 112.91 113.62 1wrn h THR 79 Ca 0.03 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1wrn h THR 79 Cb 0.58 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1wrn h THR 79 CO 0.02 0.04 -0.11 0.24 0.37 0.00 0.00 175.52 176.08 1wrn h MET 80 N 0.22 -0.13 0.00 6.66 2.86 -0.77 0.06 114.93 123.83 1wrn h MET 80 Ca 0.08 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1wrn h MET 80 Cb 0.02 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1wrn h MET 80 CO -0.06 -0.09 0.00 0.93 1.06 0.00 0.00 176.91 178.75 1wrn h GLU 81 N -0.14 0.00 0.03 1.72 5.08 -0.28 -1.42 114.58 119.58 1wrn h GLU 81 Ca 0.08 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.18 1wrn h GLU 81 Cb 0.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 1wrn h GLU 81 CO -0.20 0.00 -1.39 0.00 -1.00 0.00 0.00 179.01 176.43 1wrn h ALA 82 N 2.06 0.46 0.00 3.43 0.00 -0.03 -3.26 119.26 121.93 1wrn h ALA 82 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1wrn h ALA 82 Cb 0.24 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wrn h ALA 82 CO 0.00 1.33 0.00 1.28 0.00 0.00 0.00 179.25 181.86 1wrn n LEU 83 N -3.28 0.00 0.02 0.00 4.77 -0.13 -2.88 117.00 115.50 1wrn n LEU 83 Ca -0.10 0.50 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1wrn n LEU 83 Cb 1.01 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1wrn n LEU 83 CO 0.47 -0.12 0.19 0.45 -1.33 0.00 0.00 177.39 177.05 1wrn h HIS 84 N 0.00 0.85 -0.16 -1.77 3.86 -1.54 0.38 115.15 116.77 1wrn h HIS 84 Ca 0.00 -0.45 -0.05 0.00 -1.16 0.00 0.00 60.37 58.71 1wrn h HIS 84 Cb 0.38 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1wrn h HIS 84 CO 0.00 1.27 -0.13 0.78 0.86 0.00 0.00 177.93 180.72 1wrn h GLY 85 N 0.19 0.27 0.46 2.45 0.00 -1.67 0.46 103.07 105.21 1wrn h GLY 85 Ca -0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1wrn h GLY 85 CO 0.16 0.15 -0.25 -2.08 0.00 0.00 0.00 176.54 174.52 1wrn h VAL 86 N 0.24 1.54 0.00 4.60 2.07 -1.39 -3.37 116.25 119.94 1wrn h VAL 86 Ca 0.05 -1.95 -0.10 0.00 0.82 0.00 0.00 66.70 65.52 1wrn h VAL 86 Cb 0.37 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1wrn h VAL 86 CO 0.02 0.53 -1.04 0.71 0.02 0.00 0.00 177.57 177.82 1wrn h THR 87 N -0.49 0.39 -6.22 2.57 1.35 -0.83 -3.46 112.91 106.22 1wrn h THR 87 Ca -0.03 -1.69 -0.35 0.00 -0.55 0.00 0.00 66.41 63.78 1wrn h THR 87 Cb 1.01 1.96 0.03 0.00 -1.73 0.00 0.00 68.15 69.42 1wrn h THR 87 CO 0.05 0.22 -0.76 0.54 -0.25 0.00 0.00 175.52 175.33 1wrn n ARG 88 N -2.91 -1.31 0.00 4.72 1.74 0.16 -4.01 116.66 115.06 1wrn n ARG 88 Ca -0.04 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1wrn n ARG 88 Cb 0.72 -3.83 0.00 0.00 -1.02 0.00 0.00 32.46 28.34 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 -1.71 2.34 3.33 -0.13 0.00 -1.26 -5.01 105.19 102.74 1wrn n GLY 89 Ca -0.15 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 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 3.19 -0.35 1.61 0.41 -1.26 -4.97 118.70 117.32 1wrn s GLU 90 Ca 0.00 -0.78 -0.06 0.00 -0.41 0.00 0.00 54.97 53.72 1wrn s GLU 90 Cb 0.00 -3.25 -0.21 0.00 -1.78 0.00 0.00 34.13 28.89 1wrn s GLU 90 CO 0.00 -0.36 3.21 -0.12 -0.49 0.00 0.00 175.26 177.50 1wrn n MET 91 N 4.84 2.18 -4.38 1.61 1.56 -1.26 -4.74 117.12 116.93 1wrn n MET 91 Ca -0.16 -1.18 -0.22 0.00 -0.27 0.00 0.00 57.70 55.88 1wrn n MET 91 Cb 0.49 -2.14 -0.13 0.00 2.15 0.00 0.00 33.22 33.59 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 0.04 2.21 0.00 -0.89 1.43 -1.26 -4.96 118.68 115.25 1wrn s LEU 92 Ca 0.61 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1wrn s LEU 92 Cb 0.26 -0.73 0.00 0.00 0.03 0.00 0.00 46.19 45.75 1wrn s LEU 92 CO -0.01 0.05 0.00 0.18 0.23 0.00 0.00 176.35 176.80 1wrn n LEU 93 N 1.63 0.00 -0.27 1.79 4.77 -1.26 -4.72 117.00 118.94 1wrn n LEU 93 Ca -0.19 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 55.95 1wrn n LEU 93 Cb 0.54 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.06 1wrn n LEU 93 CO 0.23 0.00 1.22 1.23 -1.33 0.00 0.00 177.39 178.73 1wrn h GLY 94 N 0.00 1.16 2.00 -0.72 0.00 -0.67 0.35 103.07 105.19 1wrn h GLY 94 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1wrn h GLY 94 CO 0.00 0.02 0.00 -1.14 0.00 0.00 0.00 176.54 175.42 1wrn n SER 95 N -4.57 0.58 -1.12 0.19 3.41 -1.26 -1.54 113.62 109.31 1wrn n SER 95 Ca 0.19 0.65 -0.01 0.00 -0.26 0.00 0.00 58.87 59.44 1wrn n SER 95 Cb 0.58 -0.77 0.22 0.00 -0.26 0.00 0.00 64.21 63.98 1wrn n SER 95 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wrn n LEU 96 N -2.15 4.17 -4.04 1.04 4.77 0.12 -4.96 117.00 115.94 1wrn n LEU 96 Ca 0.02 -3.53 -0.30 0.00 -0.03 0.00 0.00 56.01 52.17 1wrn n LEU 96 Cb 0.21 -0.62 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1wrn n LEU 96 CO 0.18 1.06 -0.10 -0.11 -1.33 0.00 0.00 177.39 177.10 1wrn n LEU 97 N -0.95 -2.11 -4.04 2.23 7.94 -0.59 -4.97 117.00 114.52 1wrn n LEU 97 Ca 0.31 -0.97 -0.08 0.00 -1.11 0.00 0.00 56.01 54.16 1wrn n LEU 97 Cb 1.02 -2.24 -0.10 0.00 0.53 0.00 0.00 43.42 42.63 1wrn n LEU 97 CO 0.20 0.38 -0.36 0.00 -1.11 0.00 0.00 177.39 176.50 1wrn s ARG 98 N -6.69 0.47 0.17 1.96 1.70 -0.69 -4.56 118.95 111.31 1wrn s ARG 98 Ca 0.38 -0.93 0.03 0.00 -0.47 0.00 0.00 55.73 54.74 1wrn s ARG 98 Cb -0.20 0.16 -0.05 0.00 -0.57 0.00 0.00 34.95 34.29 1wrn s ARG 98 CO 0.89 -0.08 -0.03 -0.08 -1.08 0.00 0.00 175.30 174.92 1wrn s THR 99 N -2.75 0.90 0.03 4.99 -1.32 0.74 -2.18 115.64 116.04 1wrn s THR 99 Ca -0.04 -2.01 0.06 0.00 -1.21 0.00 0.00 61.69 58.49 1wrn s THR 99 Cb -0.01 -2.05 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 1wrn s THR 99 CO -0.06 -0.55 -0.18 0.68 -2.21 0.00 0.00 174.62 172.30 1wrn s VAL 100 N -3.51 1.43 -0.30 5.08 -7.23 -0.84 -1.76 120.40 113.28 1wrn s VAL 100 Ca 0.22 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1wrn s VAL 100 Cb 0.05 -1.24 0.08 0.00 0.56 0.00 0.00 36.38 35.83 1wrn s VAL 100 CO 0.03 0.21 0.01 -0.83 -0.31 0.00 0.00 175.10 174.21 1wrn s GLY 101 N -0.93 1.60 0.31 2.32 0.00 -0.11 -1.10 107.32 109.40 1wrn s GLY 101 Ca 0.06 -2.00 0.11 0.00 0.00 0.00 0.00 44.72 42.88 1wrn s GLY 101 CO 0.01 0.99 -0.14 1.08 0.00 0.00 0.00 173.10 175.04 1wrn s LEU 102 N 1.16 2.69 -0.04 0.66 1.43 0.19 0.10 118.68 124.88 1wrn s LEU 102 Ca 0.04 -1.08 0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1wrn s LEU 102 Cb -0.19 -1.09 0.00 0.00 0.03 0.00 0.00 46.19 44.94 1wrn s LEU 102 CO -0.10 -0.07 -0.11 -0.60 0.23 0.00 0.00 176.35 175.70 1wrn s ARG 103 N -3.57 1.23 0.10 1.70 3.52 0.31 -0.49 118.95 121.76 1wrn s ARG 103 Ca 0.31 -0.37 0.05 0.00 -0.13 0.00 0.00 55.73 55.59 1wrn s ARG 103 Cb -0.02 -1.10 -0.04 0.00 -1.56 0.00 0.00 34.95 32.23 1wrn s ARG 103 CO 0.16 0.11 -0.13 -0.59 -0.81 0.00 0.00 175.30 174.05 1wrn s PHE 104 N 0.28 1.26 -0.06 5.12 -0.12 0.15 -1.32 117.98 123.29 1wrn s PHE 104 Ca -0.06 -0.56 -0.01 0.00 -0.05 0.00 0.00 56.93 56.25 1wrn s PHE 104 Cb -0.11 -0.68 0.03 0.00 -0.63 0.00 0.00 43.02 41.64 1wrn s PHE 104 CO 0.01 0.08 0.01 0.00 -0.05 0.00 0.00 175.22 175.28 1wrn s ALA 105 N -2.04 0.54 -0.26 1.99 0.00 -0.84 -1.97 121.76 119.18 1wrn s ALA 105 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1wrn s ALA 105 Cb -0.05 -0.65 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1wrn s ALA 105 CO 0.02 -0.39 0.02 0.08 0.00 0.00 0.00 175.76 175.48 1wrn s VAL 106 N 1.84 3.58 -0.16 0.00 1.01 -0.92 -1.72 120.40 124.03 1wrn s VAL 106 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1wrn s VAL 106 Cb -0.12 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 1wrn s VAL 106 CO -0.04 0.20 -0.15 -0.22 0.00 0.00 0.00 175.10 174.89 1wrn s LEU 107 N 1.46 2.46 -0.15 3.92 2.96 -0.70 -0.62 118.68 128.02 1wrn s LEU 107 Ca 0.03 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1wrn s LEU 107 Cb -0.16 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.98 1wrn s LEU 107 CO -0.00 0.08 -0.21 -0.60 -1.32 0.00 0.00 176.35 174.29 1wrn s ARG 108 N 0.87 3.03 0.00 1.98 3.52 0.50 -0.84 118.95 128.00 1wrn s ARG 108 Ca -0.04 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 1wrn s ARG 108 Cb -0.15 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1wrn s ARG 108 CO -0.01 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1wrn n GLY 109 N 4.15 1.14 3.66 8.12 0.00 0.40 -0.63 105.19 122.04 1wrn n GLY 109 Ca -0.20 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 6.72 -0.00 1.61 2.47 -1.26 -2.04 114.94 122.43 1wrn s ASN 110 Ca 0.00 0.87 0.19 0.00 0.42 0.00 0.00 52.86 54.35 1wrn s ASN 110 Cb 0.00 -2.36 0.56 0.00 -1.45 0.00 0.00 41.25 38.00 1wrn s ASN 110 CO 0.00 -0.28 1.47 -0.81 -3.72 0.00 0.00 177.10 173.75 1wrn n PRO 111 N 5.05 2.48 -4.08 0.43 -0.04 -1.26 -4.99 135.00 132.59 1wrn n PRO 111 Ca -0.01 -2.28 -0.25 0.00 -0.04 0.00 0.00 63.50 60.92 1wrn n PRO 111 Cb 0.50 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.16 3.15 0.35 0.54 1.51 -1.26 -3.65 117.35 116.83 1wrn s TYR 112 Ca 0.42 -0.03 0.07 0.00 -1.01 0.00 0.00 57.07 56.52 1wrn s TYR 112 Cb 0.22 -1.50 0.64 0.00 -0.11 0.00 0.00 41.96 41.22 1wrn s TYR 112 CO 0.29 0.52 1.84 1.05 -1.11 0.00 0.00 175.55 178.14 1wrn h GLU 113 N 2.22 0.32 -5.52 -0.62 9.09 -1.84 -3.41 114.58 114.82 1wrn h GLU 113 Ca -0.48 -0.09 -0.59 0.00 0.05 0.00 0.00 59.36 58.25 1wrn h GLU 113 Cb 1.21 -0.03 -0.10 0.00 -1.65 0.00 0.00 28.75 28.17 1wrn h GLU 113 CO 0.63 0.49 -0.22 -1.12 0.05 0.00 0.00 179.01 178.84 1wrn s SER 114 N -6.84 6.50 0.57 3.06 0.01 -1.26 -4.97 113.70 110.76 1wrn s SER 114 Ca -0.06 0.59 0.34 0.00 1.31 0.00 0.00 55.95 58.13 1wrn s SER 114 Cb 0.15 -2.23 1.67 0.00 0.21 0.00 0.00 66.02 65.82 1wrn s SER 114 CO 0.75 -0.01 2.12 1.05 0.41 0.00 0.00 173.24 177.56 1wrn h GLU 115 N 7.01 0.00 0.00 12.44 9.09 -1.98 -2.97 114.58 138.17 1wrn h GLU 115 Ca -0.39 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.02 1wrn h GLU 115 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 1wrn h GLU 115 CO 0.74 0.06 -0.02 0.00 0.05 0.00 0.00 179.01 179.84 1wrn h ALA 116 N 1.94 1.05 0.00 1.06 0.00 -1.95 -2.67 119.26 118.69 1wrn h ALA 116 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wrn h ALA 116 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1wrn h ALA 116 CO 0.01 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1wrn n GLU 117 N -3.17 0.13 -0.51 0.00 -0.58 -1.12 -4.97 120.64 110.42 1wrn n GLU 117 Ca -0.01 0.52 0.07 0.00 -0.42 0.00 0.00 57.16 57.32 1wrn n GLU 117 Cb 0.19 -1.85 -0.02 0.00 -0.57 0.00 0.00 31.44 29.19 1wrn n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wrn n GLY 118 N -0.79 -1.74 3.82 0.62 0.00 -1.01 -4.86 105.19 101.23 1wrn n GLY 118 Ca 0.00 -1.23 -0.34 0.00 0.00 0.00 0.00 46.02 44.45 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 -4.71 7.02 0.26 1.61 1.11 -1.26 -4.41 116.67 116.30 1wrn s ASP 119 Ca 0.00 1.56 0.04 0.00 0.18 0.00 0.00 52.55 54.33 1wrn s ASP 119 Cb 0.00 -2.48 -0.06 0.00 1.07 0.00 0.00 42.92 41.45 1wrn s ASP 119 CO 0.00 -0.17 0.01 0.26 1.18 0.00 0.00 175.17 176.46 1wrn s TRP 120 N -1.85 1.72 0.00 4.23 0.52 -0.87 -1.73 118.94 120.96 1wrn s TRP 120 Ca 0.53 -0.93 0.01 0.00 0.02 0.00 0.00 56.10 55.74 1wrn s TRP 120 Cb -0.13 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.15 1wrn s TRP 120 CO 0.18 -0.01 -0.04 -1.50 0.02 0.00 0.00 176.95 175.60 1wrn s ILE 121 N -3.36 0.29 0.04 2.03 2.07 -0.45 -0.45 121.20 121.37 1wrn s ILE 121 Ca 0.32 -0.32 0.07 0.00 -1.41 0.00 0.00 60.65 59.30 1wrn s ILE 121 Cb 0.06 -0.28 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 1wrn s ILE 121 CO 0.11 -0.03 -0.19 0.00 -1.91 0.00 0.00 174.94 172.92 1wrn s ALA 122 N -0.35 1.64 -0.25 1.50 0.00 -0.02 -1.53 121.76 122.75 1wrn s ALA 122 Ca -0.01 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1wrn s ALA 122 Cb -0.03 -0.31 0.07 0.00 0.00 0.00 0.00 23.12 22.85 1wrn s ALA 122 CO -0.00 0.36 -0.03 0.08 0.00 0.00 0.00 175.76 176.16 1wrn s VAL 123 N -0.82 1.56 -0.05 0.00 1.01 0.17 -1.72 120.40 120.55 1wrn s VAL 123 Ca 0.06 -1.34 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1wrn s VAL 123 Cb -0.09 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1wrn s VAL 123 CO 0.02 -0.19 0.03 -0.44 0.00 0.00 0.00 175.10 174.51 1wrn s SER 124 N 1.36 5.37 0.08 3.32 0.01 -0.70 -0.09 113.70 123.05 1wrn s SER 124 Ca -0.03 0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.42 1wrn s SER 124 Cb -0.19 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 1wrn s SER 124 CO -0.08 0.34 -0.17 -0.76 0.41 0.00 0.00 173.24 172.98 1wrn s LEU 125 N -1.22 2.29 -0.19 2.44 1.43 0.23 -1.99 118.68 121.67 1wrn s LEU 125 Ca 0.17 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.35 1wrn s LEU 125 Cb -0.12 -0.66 0.07 0.00 0.03 0.00 0.00 46.19 45.52 1wrn s LEU 125 CO 0.07 -0.02 0.70 -0.47 0.23 0.00 0.00 176.35 176.85 1wrn s TYR 126 N -1.23 -0.74 -3.01 0.29 5.04 -0.44 -2.57 117.35 114.69 1wrn s TYR 126 Ca 0.01 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 1wrn s TYR 126 Cb -0.10 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.53 1wrn s TYR 126 CO 0.03 -0.46 0.00 0.41 -1.34 0.00 0.00 175.55 174.19 1wrn n GLY 127 N 2.06 -0.52 3.35 8.97 0.00 -1.08 0.11 105.19 118.08 1wrn n GLY 127 Ca -0.16 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.00 2.03 -0.08 2.61 -4.23 0.12 -1.78 115.64 110.31 1wrn s THR 128 Ca 0.00 -1.73 -0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1wrn s THR 128 Cb 0.00 -1.84 0.02 0.00 1.34 0.00 0.00 72.50 72.03 1wrn s THR 128 CO 0.00 -0.03 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.50 1wrn s ILE 129 N -1.26 0.67 0.00 2.99 2.07 -0.56 -0.94 121.20 124.17 1wrn s ILE 129 Ca 0.12 -0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 1wrn s ILE 129 Cb -0.09 -0.73 0.00 0.00 0.13 0.00 0.00 42.46 41.76 1wrn s ILE 129 CO 0.06 0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.99 1wrn n GLY 130 N 4.67 2.44 3.88 1.50 0.00 -0.72 -2.53 105.19 114.43 1wrn n GLY 130 Ca -0.15 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 2.44 0.44 4.61 0.00 -0.86 -0.19 121.76 127.21 1wrn s ALA 131 Ca 0.00 -0.67 0.14 0.00 0.00 0.00 0.00 51.96 51.43 1wrn s ALA 131 Cb 0.00 -2.96 1.04 0.00 0.00 0.00 0.00 23.12 21.21 1wrn s ALA 131 CO 0.00 -1.86 2.00 -1.00 0.00 0.00 0.00 175.76 174.90 1wrn h PRO 132 N -1.20 0.37 -7.03 0.00 0.13 -1.90 -3.41 132.00 118.96 1wrn h PRO 132 Ca -0.47 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.12 1wrn h PRO 132 Cb 1.32 -0.08 0.09 0.00 0.13 0.00 0.00 31.00 32.46 1wrn h PRO 132 CO 0.63 0.24 0.52 0.42 -0.23 0.00 0.00 178.00 179.58 1wrn s ILE 133 N -5.36 2.71 0.09 -3.56 1.01 -1.26 -5.00 121.20 109.83 1wrn s ILE 133 Ca -0.07 0.52 -0.32 0.00 0.00 0.00 0.00 60.65 60.77 1wrn s ILE 133 Cb 0.19 -3.25 -0.14 0.00 0.01 0.00 0.00 42.46 39.27 1wrn s ILE 133 CO 0.74 -0.03 1.50 0.07 0.00 0.00 0.00 174.94 177.23 1wrn h LYS 134 N 1.65 -0.71 -0.33 2.79 5.09 -2.02 -3.34 116.57 119.69 1wrn h LYS 134 Ca -0.50 0.05 -0.17 0.00 0.09 0.00 0.00 60.65 60.12 1wrn h LYS 134 Cb 1.27 0.16 -0.00 0.00 0.10 0.00 0.00 32.23 33.76 1wrn h LYS 134 CO 0.58 -0.47 -0.46 0.78 -2.09 0.00 0.00 179.45 177.79 1wrn h GLY 135 N -0.74 0.97 -7.55 0.07 0.00 -1.94 -3.44 103.07 90.44 1wrn h GLY 135 Ca -0.02 -1.06 -0.38 0.00 0.00 0.00 0.00 47.33 45.87 1wrn h GLY 135 CO -0.22 0.96 1.34 1.08 0.00 0.00 0.00 176.54 179.70 1wrn s LEU 136 N -8.80 3.31 0.00 3.11 1.43 -1.26 -4.85 118.68 111.62 1wrn s LEU 136 Ca -0.11 0.86 0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1wrn s LEU 136 Cb 0.10 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1wrn s LEU 136 CO 0.88 -3.05 0.00 -1.84 0.23 0.00 0.00 176.35 172.57 1wrn n GLU 137 N 8.98 -0.55 -3.30 1.70 0.28 -1.26 -2.02 120.64 124.47 1wrn n GLU 137 Ca 0.38 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 57.27 1wrn n GLU 137 Cb 0.53 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.36 1wrn n GLU 137 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 1wrn n HIS 138 N -0.28 -0.72 -1.78 -1.84 1.44 -1.05 -4.98 115.22 106.01 1wrn n HIS 138 Ca 0.00 -1.68 -0.31 0.00 -2.01 0.00 0.00 57.72 53.72 1wrn n HIS 138 Cb 0.00 0.25 0.03 0.00 0.12 0.00 0.00 29.99 30.38 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 -2.73 3.28 -0.13 -1.40 2.02 -1.26 -1.50 118.70 116.98 1wrn s GLU 139 Ca 0.23 0.91 -0.07 0.00 0.02 0.00 0.00 54.97 56.06 1wrn s GLU 139 Cb 0.01 -2.04 0.05 0.00 0.10 0.00 0.00 34.13 32.25 1wrn s GLU 139 CO 0.16 -0.82 0.31 -0.08 0.02 0.00 0.00 175.26 174.85 1wrn s THR 140 N -3.01 -0.05 0.08 3.63 -1.32 -0.73 -4.68 115.64 109.57 1wrn s THR 140 Ca 0.58 0.13 0.08 0.00 -1.21 0.00 0.00 61.69 61.26 1wrn s THR 140 Cb -0.13 -0.47 -0.03 0.00 -1.51 0.00 0.00 72.50 70.36 1wrn s THR 140 CO 0.51 0.05 -0.20 0.12 -2.21 0.00 0.00 174.62 172.90 1wrn s PHE 141 N 1.35 1.70 -0.29 9.09 5.36 -1.26 -2.64 117.98 131.28 1wrn s PHE 141 Ca -0.09 -0.41 -0.15 0.00 -0.96 0.00 0.00 56.93 55.32 1wrn s PHE 141 Cb -0.10 -0.95 0.12 0.00 -0.34 0.00 0.00 43.02 41.75 1wrn s PHE 141 CO -0.10 0.16 0.84 0.20 -1.46 0.00 0.00 175.22 174.86 1wrn s GLY 142 N -1.71 -0.34 -0.10 13.12 0.00 -1.06 -2.69 107.32 114.54 1wrn s GLY 142 Ca 0.05 2.78 0.03 0.00 0.00 0.00 0.00 44.72 47.58 1wrn s GLY 142 CO 0.03 2.68 -0.18 0.14 0.00 0.00 0.00 173.10 175.78 1wrn s VAL 143 N 1.80 1.62 -0.12 1.40 1.01 -1.26 0.77 120.40 125.62 1wrn s VAL 143 Ca -0.08 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.17 1wrn s VAL 143 Cb -0.06 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1wrn s VAL 143 CO -0.18 0.46 -0.16 -0.83 0.00 0.00 0.00 175.10 174.40 1wrn s GLY 144 N 0.69 1.10 -0.26 4.51 0.00 0.87 -4.33 107.32 109.88 1wrn s GLY 144 Ca -0.13 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.82 1wrn s GLY 144 CO 0.03 0.22 -0.10 -0.42 0.00 0.00 0.00 173.10 172.83 1wrn s ILE 145 N 1.01 2.16 0.28 0.90 1.01 -1.26 0.44 121.20 125.74 1wrn s ILE 145 Ca -0.06 -1.67 0.11 0.00 0.00 0.00 0.00 60.65 59.03 1wrn s ILE 145 Cb -0.15 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 1wrn s ILE 145 CO -0.03 -0.07 -0.13 0.21 0.00 0.00 0.00 174.94 174.93 1wrn s ASN 146 N 1.10 3.91 0.45 3.58 2.47 -0.58 -4.98 114.94 120.89 1wrn s ASN 146 Ca -0.08 -0.90 -0.03 0.00 0.42 0.00 0.00 52.86 52.27 1wrn s ASN 146 Cb -0.20 -0.48 -0.03 0.00 -1.45 0.00 0.00 41.25 39.09 1wrn s ASN 146 CO -0.05 0.02 0.72 -1.38 -3.72 0.00 0.00 177.10 172.69 1wrn s HIS 147 N -2.45 3.51 0.00 0.43 -3.43 -1.26 -1.34 115.29 110.74 1wrn s HIS 147 Ca 0.31 0.64 0.00 0.00 -0.80 0.00 0.00 55.06 55.20 1wrn s HIS 147 Cb -0.05 -2.21 0.00 0.00 -1.43 0.00 0.00 32.58 28.89 1wrn s HIS 147 CO 0.17 -0.20 0.00 1.51 -2.00 0.00 0.00 174.74 174.22