#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cwe n LYS 3 N 0.00 0.38 0.11 0.00 0.00 -1.26 -4.55 118.16 112.84 2cwe n LYS 3 Ca 0.00 0.03 -0.19 0.00 0.00 0.00 0.00 58.31 58.15 2cwe n LYS 3 Cb 0.00 -1.12 -0.15 0.00 0.00 0.00 0.00 35.03 33.76 2cwe n LYS 3 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2cwe h LYS 4 N 0.00 0.36 -3.95 1.64 1.57 -1.93 0.70 116.57 114.96 2cwe h LYS 4 Ca -0.14 -0.61 -0.23 0.00 -1.87 0.00 0.00 60.65 57.80 2cwe h LYS 4 Cb 1.22 0.23 -0.26 0.00 0.08 0.00 0.00 32.23 33.50 2cwe h LYS 4 CO -0.02 1.27 -0.72 0.08 -0.57 0.00 0.00 179.45 179.49 2cwe s VAL 5 N -2.63 0.13 -0.10 0.50 1.01 -1.26 -1.35 120.40 116.70 2cwe s VAL 5 Ca -0.07 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 2cwe s VAL 5 Cb 0.06 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.31 2cwe s VAL 5 CO 0.90 -0.15 0.24 -0.75 0.00 0.00 0.00 175.10 175.34 2cwe s LYS 6 N -0.53 0.21 -0.36 2.72 2.20 0.92 0.05 119.74 124.94 2cwe s LYS 6 Ca -0.05 0.52 -0.13 0.00 -0.36 0.00 0.00 55.97 55.95 2cwe s LYS 6 Cb -0.04 -0.11 -0.00 0.00 -1.51 0.00 0.00 37.83 36.16 2cwe s LYS 6 CO -0.00 -0.16 0.25 0.08 -0.36 0.00 0.00 175.35 175.16 2cwe s VAL 7 N 1.22 5.21 -0.17 4.02 1.01 -1.26 0.58 120.40 131.00 2cwe s VAL 7 Ca -0.09 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 2cwe s VAL 7 Cb -0.10 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2cwe s VAL 7 CO -0.08 -0.10 0.38 -0.63 0.00 0.00 0.00 175.10 174.68 2cwe s ILE 8 N 1.70 5.23 0.00 2.22 1.09 0.28 -4.91 121.20 126.80 2cwe s ILE 8 Ca 0.06 0.71 0.00 0.00 -1.10 0.00 0.00 60.65 60.32 2cwe s ILE 8 Cb -0.18 -3.72 0.00 0.00 -1.06 0.00 0.00 42.46 37.50 2cwe s ILE 8 CO 0.10 0.31 0.12 0.35 -0.10 0.00 0.00 174.94 175.72 2cwe n THR 9 N 3.95 0.00 -2.17 2.92 -2.24 -1.26 -1.95 114.28 113.52 2cwe n THR 9 Ca -0.09 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.81 2cwe n THR 9 Cb 0.51 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 2cwe n THR 9 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cwe s ASP 10 N -0.66 6.43 0.20 3.42 -1.08 -1.26 -4.87 116.67 118.85 2cwe s ASP 10 Ca 0.00 1.53 -0.11 0.00 -0.52 0.00 0.00 52.55 53.45 2cwe s ASP 10 Cb 0.00 -2.53 0.23 0.00 -1.46 0.00 0.00 42.92 39.15 2cwe s ASP 10 CO 0.00 -1.23 1.74 -0.65 0.52 0.00 0.00 175.17 175.56 2cwe h PRO 11 N 10.46 0.36 -0.11 4.34 0.11 -1.94 -1.83 132.00 143.39 2cwe h PRO 11 Ca -0.32 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.80 2cwe h PRO 11 Cb 1.14 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2cwe h PRO 11 CO 1.01 0.24 -0.07 0.93 -0.21 0.00 0.00 178.00 179.90 2cwe h GLU 12 N 0.37 -0.06 -0.40 1.05 4.39 -1.99 0.47 114.58 118.40 2cwe h GLU 12 Ca 0.27 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 2cwe h GLU 12 Cb 0.32 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2cwe h GLU 12 CO -0.28 -0.04 0.17 -0.39 -1.16 0.00 0.00 179.01 177.31 2cwe h VAL 13 N -0.06 1.19 -0.37 3.13 -1.51 -1.88 -2.11 116.25 114.63 2cwe h VAL 13 Ca 0.07 -0.57 0.08 0.00 -1.23 0.00 0.00 66.70 65.04 2cwe h VAL 13 Cb 0.16 0.82 -0.07 0.00 -2.13 0.00 0.00 31.29 30.07 2cwe h VAL 13 CO -0.15 0.21 -0.10 0.40 -1.23 0.00 0.00 177.57 176.69 2cwe h ILE 14 N 0.50 0.61 -0.71 7.19 2.04 -0.93 0.27 117.51 126.49 2cwe h ILE 14 Ca 0.13 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.12 2cwe h ILE 14 Cb 0.17 0.61 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2cwe h ILE 14 CO -0.01 0.00 0.47 0.11 0.00 0.00 0.00 178.15 178.72 2cwe h LYS 15 N -0.01 0.44 -0.31 2.37 1.57 -0.59 -0.11 116.57 119.93 2cwe h LYS 15 Ca 0.18 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.75 2cwe h LYS 15 Cb 0.29 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2cwe h LYS 15 CO -0.39 0.29 -0.51 0.28 -0.57 0.00 0.00 179.45 178.54 2cwe h VAL 16 N 0.45 1.27 -0.53 0.50 2.07 0.11 -3.26 116.25 116.87 2cwe h VAL 16 Ca 0.34 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 66.10 2cwe h VAL 16 Cb 0.69 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 2cwe h VAL 16 CO -0.11 0.56 0.09 0.24 0.02 0.00 0.00 177.57 178.37 2cwe h MET 17 N 0.69 0.83 0.00 1.57 2.86 0.79 -2.92 114.93 118.76 2cwe h MET 17 Ca 0.02 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2cwe h MET 17 Cb 1.12 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.67 2cwe h MET 17 CO 0.12 0.78 0.00 1.28 1.06 0.00 0.00 176.91 180.14 2cwe n LEU 18 N -4.25 0.44 -4.68 1.22 4.77 -0.56 -3.47 117.00 110.48 2cwe n LEU 18 Ca 0.03 0.62 -0.46 0.00 -0.03 0.00 0.00 56.01 56.17 2cwe n LEU 18 Cb 0.25 -0.56 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 2cwe n LEU 18 CO 0.41 -0.48 1.38 1.21 -1.33 0.00 0.00 177.39 178.57 2cwe n GLU 19 N -1.99 2.35 -0.29 3.23 0.00 -1.10 -4.79 120.64 118.04 2cwe n GLU 19 Ca 0.02 0.86 0.03 0.00 0.00 0.00 0.00 57.16 58.06 2cwe n GLU 19 Cb 0.19 -2.69 0.08 0.00 0.00 0.00 0.00 31.44 29.03 2cwe n GLU 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2cwe n ASP 20 N 5.19 -0.37 0.05 4.31 -0.08 -1.26 -1.21 116.55 123.18 2cwe n ASP 20 Ca 0.19 1.36 -0.18 0.00 -1.51 0.00 0.00 54.79 54.65 2cwe n ASP 20 Cb 0.32 -0.37 -0.08 0.00 2.34 0.00 0.00 41.12 43.32 2cwe n ASP 20 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2cwe h THR 21 N 0.00 1.31 -0.45 5.18 2.02 -1.93 -2.98 112.91 116.07 2cwe h THR 21 Ca 0.34 -2.29 -0.02 0.00 0.77 0.00 0.00 66.41 65.21 2cwe h THR 21 Cb 0.53 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 2cwe h THR 21 CO -0.80 0.70 0.19 0.03 0.37 0.00 0.00 175.52 176.01 2cwe h ARG 22 N 0.35 0.63 -0.13 6.66 3.08 -1.45 0.41 114.38 123.92 2cwe h ARG 22 Ca -0.11 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 2cwe h ARG 22 Cb 1.65 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 2cwe h ARG 22 CO 0.19 0.51 0.08 -0.09 -1.07 0.00 0.00 179.97 179.59 2cwe h ARG 23 N 0.63 0.18 -0.98 0.04 2.43 -1.16 -0.73 114.38 114.79 2cwe h ARG 23 Ca 0.16 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2cwe h ARG 23 Cb 0.11 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 2cwe h ARG 23 CO -0.02 0.16 0.64 0.87 -1.51 0.00 0.00 179.97 180.12 2cwe h LYS 24 N 0.15 1.25 -0.09 0.20 1.57 -1.12 0.16 116.57 118.69 2cwe h LYS 24 Ca 0.05 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2cwe h LYS 24 Cb 0.03 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 2cwe h LYS 24 CO -0.01 0.83 0.04 0.82 -0.57 0.00 0.00 179.45 180.56 2cwe h ILE 25 N 1.29 1.13 -0.65 1.86 2.04 -0.66 -0.71 117.51 121.81 2cwe h ILE 25 Ca 0.37 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.86 2cwe h ILE 25 Cb -0.09 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2cwe h ILE 25 CO -0.09 0.12 0.41 -0.07 0.00 0.00 0.00 178.15 178.51 2cwe h LEU 26 N -0.00 0.67 0.31 1.44 3.38 -0.64 0.11 115.31 120.58 2cwe h LEU 26 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2cwe h LEU 26 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2cwe h LEU 26 CO -0.00 0.46 -0.24 0.50 0.09 0.00 0.00 178.44 179.25 2cwe h LYS 27 N 0.80 -0.53 -0.78 1.13 3.64 -0.48 -2.64 116.57 117.71 2cwe h LYS 27 Ca 0.26 0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.72 2cwe h LYS 27 Cb 0.02 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 2cwe h LYS 27 CO -0.10 -0.35 0.51 -0.07 -2.27 0.00 0.00 179.45 177.16 2cwe h LEU 28 N -0.55 0.79 -1.01 5.20 3.38 -0.67 -1.89 115.31 120.56 2cwe h LEU 28 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2cwe h LEU 28 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2cwe h LEU 28 CO -0.00 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.24 2cwe n LEU 29 N -4.46 0.52 0.23 1.67 4.32 0.35 -1.52 117.00 118.11 2cwe n LEU 29 Ca 0.11 0.70 0.09 0.00 -0.02 0.00 0.00 56.01 56.88 2cwe n LEU 29 Cb 0.15 -0.71 0.54 0.00 -1.62 0.00 0.00 43.42 41.78 2cwe n LEU 29 CO 0.34 -0.76 0.84 0.03 -1.22 0.00 0.00 177.39 176.63 2cwe h ARG 30 N 0.00 0.00 0.55 3.23 3.08 -1.27 -3.06 114.38 116.91 2cwe h ARG 30 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2cwe h ARG 30 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.18 2cwe h ARG 30 CO 0.00 0.23 -0.27 -0.91 -1.07 0.00 0.00 179.97 177.95 2cwe h ASN 31 N 0.00 -0.63 -4.81 7.04 2.35 -1.44 -3.48 115.58 114.61 2cwe h ASN 31 Ca -0.00 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 2cwe h ASN 31 Cb 0.57 0.16 -0.14 0.00 0.05 0.00 0.00 38.32 38.97 2cwe h ASN 31 CO 0.03 -0.26 0.37 -1.59 -1.65 0.00 0.00 177.43 174.34 2cwe s LYS 32 N -4.00 1.03 0.25 0.81 -2.85 -1.16 -5.13 119.74 108.68 2cwe s LYS 32 Ca -0.11 -0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 54.18 2cwe s LYS 32 Cb 0.01 0.47 -0.10 0.00 -2.06 0.00 0.00 37.83 36.15 2cwe s LYS 32 CO 0.33 -0.45 1.42 -1.83 0.10 0.00 0.00 175.35 174.92 2cwe s GLU 33 N -3.39 4.28 0.31 1.78 -1.05 -1.26 -4.53 118.70 114.85 2cwe s GLU 33 Ca 0.04 2.27 0.03 0.00 -0.15 0.00 0.00 54.97 57.16 2cwe s GLU 33 Cb -0.01 -3.12 -0.06 0.00 -0.44 0.00 0.00 34.13 30.51 2cwe s GLU 33 CO -0.10 -0.40 0.08 -1.64 0.95 0.00 0.00 175.26 174.15 2cwe s MET 34 N -0.38 1.61 0.41 -4.83 -1.94 -0.43 -4.74 119.30 109.00 2cwe s MET 34 Ca 0.59 -1.90 0.07 0.00 -1.71 0.00 0.00 55.69 52.74 2cwe s MET 34 Cb -0.41 -0.65 0.01 0.00 2.01 0.00 0.00 34.83 35.78 2cwe s MET 34 CO 0.43 -0.25 0.56 0.95 -0.01 0.00 0.00 175.02 176.70 2cwe s THR 35 N -3.42 3.22 0.41 2.05 -4.23 -1.26 0.58 115.64 112.99 2cwe s THR 35 Ca 0.36 -0.97 0.07 0.00 -1.18 0.00 0.00 61.69 59.97 2cwe s THR 35 Cb 0.08 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 71.08 2cwe s THR 35 CO 0.15 -0.04 2.05 0.40 -0.54 0.00 0.00 174.62 176.64 2cwe h ILE 36 N 0.65 1.11 -0.50 2.99 2.04 -1.97 -1.44 117.51 120.39 2cwe h ILE 36 Ca -0.41 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.09 2cwe h ILE 36 Cb 1.28 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 2cwe h ILE 36 CO 0.47 0.11 -0.12 0.28 0.00 0.00 0.00 178.15 178.90 2cwe h SER 37 N 0.52 0.97 0.32 1.72 0.02 -1.94 -1.99 113.55 113.18 2cwe h SER 37 Ca 0.14 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 2cwe h SER 37 Cb -0.02 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.26 2cwe h SER 37 CO -0.03 1.11 -0.15 1.56 -1.14 0.00 0.00 176.83 178.18 2cwe h GLN 38 N 0.83 -0.41 -0.54 3.45 4.20 -1.72 -2.32 115.11 118.58 2cwe h GLN 38 Ca 0.13 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.97 2cwe h GLN 38 Cb 0.68 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.44 2cwe h GLN 38 CO 0.05 -0.08 -0.28 -0.07 -0.67 0.00 0.00 178.83 177.78 2cwe h LEU 39 N -0.84 -0.96 -0.90 1.46 -0.00 -1.36 -1.17 115.31 111.54 2cwe h LEU 39 Ca -0.04 0.20 0.14 0.00 -0.00 0.00 0.00 57.88 58.19 2cwe h LEU 39 Cb 0.52 0.50 -0.09 0.00 -0.00 0.00 0.00 40.66 41.59 2cwe h LEU 39 CO 0.07 -0.28 0.50 -1.28 -0.00 0.00 0.00 178.44 177.46 2cwe h SER 40 N -0.14 0.66 0.64 -0.43 0.87 -1.36 0.40 113.55 114.19 2cwe h SER 40 Ca 0.24 0.08 -0.12 0.00 -1.23 0.00 0.00 61.79 60.76 2cwe h SER 40 Cb 0.52 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.43 2cwe h SER 40 CO -0.63 0.29 -0.58 -0.08 -0.53 0.00 0.00 176.83 175.31 2cwe h GLU 41 N 0.73 0.00 0.00 2.24 4.57 -0.65 -2.25 114.58 119.21 2cwe h GLU 41 Ca 0.48 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.66 2cwe h GLU 41 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2cwe h GLU 41 CO -0.34 0.58 -0.00 0.82 -1.18 0.00 0.00 179.01 178.89 2cwe h ILE 42 N 0.00 1.26 0.00 2.32 1.08 -0.54 -3.36 117.51 118.27 2cwe h ILE 42 Ca -0.01 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.53 2cwe h ILE 42 Cb 1.05 2.37 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 2cwe h ILE 42 CO 0.07 0.42 0.00 -0.07 -0.69 0.00 0.00 178.15 177.89 2cwe h LEU 43 N -0.99 0.00 0.11 1.44 4.07 -0.34 -3.46 115.31 116.13 2cwe h LEU 43 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2cwe h LEU 43 Cb 0.70 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 2cwe h LEU 43 CO 0.00 0.00 -0.04 0.61 -1.08 0.00 0.00 178.44 177.93 2cwe n GLY 44 N -0.26 0.57 3.63 0.83 0.00 -0.86 -5.01 105.19 104.08 2cwe n GLY 44 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 2cwe n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cwe s LYS 45 N -1.46 2.57 0.79 1.61 3.01 -1.18 -5.07 119.74 120.02 2cwe s LYS 45 Ca 0.00 -0.74 -0.12 0.00 -1.01 0.00 0.00 55.97 54.10 2cwe s LYS 45 Cb 0.00 -2.53 0.07 0.00 -1.01 0.00 0.00 37.83 34.36 2cwe s LYS 45 CO 0.00 0.59 1.14 0.95 0.51 0.00 0.00 175.35 178.54 2cwe s THR 46 N -1.08 2.72 0.23 2.17 -4.23 -1.26 -4.43 115.64 109.75 2cwe s THR 46 Ca 0.19 0.27 -0.06 0.00 -1.18 0.00 0.00 61.69 60.91 2cwe s THR 46 Cb -0.11 -2.64 0.19 0.00 1.34 0.00 0.00 72.50 71.28 2cwe s THR 46 CO 0.10 -0.27 1.83 -0.65 -0.54 0.00 0.00 174.62 175.10 2cwe h PRO 47 N -1.01 0.84 -0.58 3.99 0.11 -1.92 -1.82 132.00 131.61 2cwe h PRO 47 Ca -0.45 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.64 2cwe h PRO 47 Cb 1.26 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2cwe h PRO 47 CO 0.48 0.55 0.36 -0.56 -0.21 0.00 0.00 178.00 178.63 2cwe h GLN 48 N 0.86 0.69 -0.54 1.05 3.07 -1.96 0.15 115.11 118.43 2cwe h GLN 48 Ca 0.35 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.97 2cwe h GLN 48 Cb 0.19 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.58 2cwe h GLN 48 CO -0.18 0.46 0.04 1.79 0.09 0.00 0.00 178.83 181.02 2cwe h THR 49 N 0.72 1.26 -0.23 1.86 1.35 -1.83 -2.99 112.91 113.04 2cwe h THR 49 Ca 0.23 -1.05 -0.12 0.00 -0.55 0.00 0.00 66.41 64.92 2cwe h THR 49 Cb 0.01 0.87 -0.01 0.00 -1.73 0.00 0.00 68.15 67.29 2cwe h THR 49 CO -0.09 0.37 -0.38 0.40 -0.25 0.00 0.00 175.52 175.58 2cwe h ILE 50 N 0.81 1.30 -0.98 6.82 2.04 -0.92 -2.77 117.51 123.81 2cwe h ILE 50 Ca 0.16 -1.52 0.09 0.00 1.00 0.00 0.00 64.86 64.59 2cwe h ILE 50 Cb 0.48 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 2cwe h ILE 50 CO 0.02 0.48 0.62 0.22 0.00 0.00 0.00 178.15 179.49 2cwe h TYR 51 N 0.44 1.15 -0.11 1.37 3.20 -0.58 -0.65 116.97 121.78 2cwe h TYR 51 Ca 0.04 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.79 2cwe h TYR 51 Cb 0.86 -0.37 0.01 0.00 1.54 0.00 0.00 36.73 38.76 2cwe h TYR 51 CO 0.03 0.54 -0.55 0.45 -1.64 0.00 0.00 178.16 176.99 2cwe h HIS 52 N 1.07 0.77 -0.05 -3.82 3.86 -1.39 -2.43 115.15 113.17 2cwe h HIS 52 Ca 0.45 -0.34 0.02 0.00 -1.16 0.00 0.00 60.37 59.34 2cwe h HIS 52 Cb 0.29 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 2cwe h HIS 52 CO -0.01 1.13 -0.10 0.45 0.86 0.00 0.00 177.93 180.26 2cwe h HIS 53 N 0.20 -0.25 -0.76 2.45 3.86 -1.23 -0.43 115.15 118.98 2cwe h HIS 53 Ca -0.04 0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.35 2cwe h HIS 53 Cb 1.19 0.12 -0.05 0.00 1.06 0.00 0.00 27.41 29.73 2cwe h HIS 53 CO 0.11 -0.15 0.51 0.82 0.86 0.00 0.00 177.93 180.08 2cwe h ILE 54 N -0.15 0.76 -0.23 2.45 5.03 -1.12 0.20 117.51 124.45 2cwe h ILE 54 Ca 0.05 -0.12 -0.04 0.00 -0.12 0.00 0.00 64.86 64.63 2cwe h ILE 54 Cb 0.22 0.37 -0.01 0.00 -3.03 0.00 0.00 36.82 34.37 2cwe h ILE 54 CO -0.14 0.07 -0.02 -0.33 -0.68 0.00 0.00 178.15 177.05 2cwe h GLU 55 N 0.36 0.42 0.15 2.37 4.39 -0.60 0.32 114.58 121.99 2cwe h GLU 55 Ca 0.38 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2cwe h GLU 55 Cb 0.95 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 2cwe h GLU 55 CO -0.11 0.62 -0.07 0.87 -1.16 0.00 0.00 179.01 179.16 2cwe h LYS 56 N 0.18 -0.19 -0.53 2.33 6.56 -0.09 -0.57 116.57 124.26 2cwe h LYS 56 Ca 0.06 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.75 2cwe h LYS 56 Cb 0.44 0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 32.08 2cwe h LYS 56 CO 0.02 -0.10 0.17 -0.07 -2.06 0.00 0.00 179.45 177.40 2cwe h LEU 57 N -0.24 0.13 -0.03 2.94 3.38 -0.90 0.29 115.31 120.89 2cwe h LEU 57 Ca -0.02 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2cwe h LEU 57 Cb 0.18 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2cwe h LEU 57 CO 0.03 0.10 -0.22 0.50 0.09 0.00 0.00 178.44 178.94 2cwe h LYS 58 N 0.33 -0.32 0.00 1.13 3.64 -0.05 0.10 116.57 121.41 2cwe h LYS 58 Ca 0.26 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.61 2cwe h LYS 58 Cb 0.32 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2cwe h LYS 58 CO -0.29 -0.22 -0.27 1.49 -2.27 0.00 0.00 179.45 177.90 2cwe h GLU 59 N -0.34 0.00 0.00 1.90 4.81 -0.45 0.12 114.58 120.62 2cwe h GLU 59 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2cwe h GLU 59 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2cwe h GLU 59 CO -0.22 0.27 0.00 0.00 -0.73 0.00 0.00 179.01 178.32 2cwe n ALA 60 N -2.39 2.53 -1.06 2.92 0.00 0.97 -4.84 120.51 118.64 2cwe n ALA 60 Ca -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 2cwe n ALA 60 Cb 0.35 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 2cwe n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cwe n GLY 61 N 0.72 0.39 0.22 0.00 0.00 0.43 -4.87 105.19 102.07 2cwe n GLY 61 Ca 0.20 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.28 2cwe n GLY 61 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2cwe h LEU 62 N 0.00 0.00 -7.78 0.99 3.38 -1.00 -3.42 115.31 107.48 2cwe h LEU 62 Ca -0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 2cwe h LEU 62 Cb 0.64 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.21 2cwe h LEU 62 CO 0.06 0.00 -0.46 0.68 0.09 0.00 0.00 178.44 178.82 2cwe s VAL 63 N -3.28 0.11 0.12 1.22 -7.23 -1.20 -1.97 120.40 108.17 2cwe s VAL 63 Ca 0.06 -0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2cwe s VAL 63 Cb 0.06 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.21 2cwe s VAL 63 CO 0.64 -0.48 0.07 -1.83 -0.31 0.00 0.00 175.10 173.18 2cwe s GLU 64 N -2.19 0.89 -0.20 4.82 -1.05 -0.22 -4.15 118.70 116.60 2cwe s GLU 64 Ca -0.08 -1.35 -0.29 0.00 -0.15 0.00 0.00 54.97 53.09 2cwe s GLU 64 Cb -0.03 0.26 -0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2cwe s GLU 64 CO -0.02 -0.25 1.16 0.08 0.95 0.00 0.00 175.26 177.17 2cwe s VAL 65 N -4.01 4.47 -0.10 1.83 1.01 -1.26 -1.43 120.40 120.91 2cwe s VAL 65 Ca 0.20 1.77 0.15 0.00 0.00 0.00 0.00 61.98 64.09 2cwe s VAL 65 Cb 0.07 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 2cwe s VAL 65 CO -0.01 -0.17 1.07 0.11 0.00 0.00 0.00 175.10 176.09 2cwe h LYS 66 N 7.88 0.00 0.00 2.72 1.79 -0.08 -3.47 116.57 125.41 2cwe h LYS 66 Ca -0.23 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2cwe h LYS 66 Cb 1.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 2cwe h LYS 66 CO 0.98 0.46 0.00 2.89 -1.08 0.00 0.00 179.45 182.70 2cwe n ARG 67 N -3.07 0.00 -4.12 3.15 1.85 -1.23 -5.01 116.66 108.23 2cwe n ARG 67 Ca -0.05 0.00 -0.34 0.00 -1.00 0.00 0.00 57.85 56.46 2cwe n ARG 67 Cb 0.84 0.00 -0.15 0.00 -1.05 0.00 0.00 32.46 32.09 2cwe n ARG 67 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2cwe s THR 68 N -2.00 2.47 -0.10 8.89 -4.23 -1.26 -0.59 115.64 118.82 2cwe s THR 68 Ca 0.00 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.68 2cwe s THR 68 Cb 0.00 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 2cwe s THR 68 CO 0.00 0.51 -0.00 -0.70 -0.54 0.00 0.00 174.62 173.88 2cwe s GLU 69 N 1.28 3.13 -0.91 3.99 2.12 0.12 -4.94 118.70 123.51 2cwe s GLU 69 Ca 0.04 -0.42 -0.20 0.00 0.36 0.00 0.00 54.97 54.75 2cwe s GLU 69 Cb -0.14 -2.83 0.11 0.00 0.26 0.00 0.00 34.13 31.54 2cwe s GLU 69 CO -0.09 0.61 1.15 1.41 -0.54 0.00 0.00 175.26 177.80 2cwe s MET 70 N -0.62 3.53 -1.19 4.30 -2.45 -1.26 0.42 119.30 122.03 2cwe s MET 70 Ca 0.10 -1.56 -0.14 0.00 -1.25 0.00 0.00 55.69 52.84 2cwe s MET 70 Cb -0.12 -4.89 0.16 0.00 1.25 0.00 0.00 34.83 31.24 2cwe s MET 70 CO 0.02 -1.83 1.44 0.15 1.05 0.00 0.00 175.02 175.84 2cwe s LYS 71 N 3.16 4.05 5.73 4.11 1.02 0.97 -4.88 119.74 133.89 2cwe s LYS 71 Ca 0.33 -2.47 0.00 0.00 0.02 0.00 0.00 55.97 53.85 2cwe s LYS 71 Cb -0.06 -5.09 0.00 0.00 -0.52 0.00 0.00 37.83 32.16 2cwe s LYS 71 CO -0.07 -1.81 0.00 0.41 -0.92 0.00 0.00 175.35 172.96 2cwe n GLY 72 N 4.32 1.73 0.98 -3.33 0.00 -1.26 -3.10 105.19 104.52 2cwe n GLY 72 Ca 0.37 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2cwe n GLY 72 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cwe n ASN 73 N 8.25 2.96 -3.95 1.61 6.94 -1.26 -4.88 115.26 124.93 2cwe n ASN 73 Ca 0.00 -1.92 -0.22 0.00 -0.02 0.00 0.00 54.58 52.42 2cwe n ASN 73 Cb 0.00 -0.16 -0.16 0.00 -2.36 0.00 0.00 39.78 37.10 2cwe n ASN 73 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2cwe s LEU 74 N -1.65 1.47 -0.42 -4.53 2.96 -1.18 -5.11 118.68 110.23 2cwe s LEU 74 Ca 0.35 -0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 53.85 2cwe s LEU 74 Cb 0.21 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 46.30 2cwe s LEU 74 CO 0.31 -0.01 0.64 -0.69 -1.32 0.00 0.00 176.35 175.27 2cwe s VAL 75 N 0.81 4.84 0.09 1.68 1.01 -1.26 -0.02 120.40 127.55 2cwe s VAL 75 Ca -0.13 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2cwe s VAL 75 Cb -0.15 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2cwe s VAL 75 CO 0.02 -0.55 0.14 -1.61 0.00 0.00 0.00 175.10 173.10 2cwe s GLU 76 N 2.80 3.10 -0.11 2.72 2.02 0.17 -4.93 118.70 124.46 2cwe s GLU 76 Ca 0.23 -0.63 -0.07 0.00 0.02 0.00 0.00 54.97 54.52 2cwe s GLU 76 Cb -0.14 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 2cwe s GLU 76 CO 0.18 0.57 0.15 0.15 0.02 0.00 0.00 175.26 176.33 2cwe s LYS 77 N -2.58 3.46 -0.24 1.61 1.02 -1.26 0.16 119.74 121.91 2cwe s LYS 77 Ca 0.32 -0.10 -0.10 0.00 0.02 0.00 0.00 55.97 56.10 2cwe s LYS 77 Cb -0.12 -3.19 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 2cwe s LYS 77 CO 0.25 0.77 0.16 0.71 -0.92 0.00 0.00 175.35 176.32 2cwe s TYR 78 N -1.03 3.30 -0.03 3.18 1.51 0.24 -4.20 117.35 120.33 2cwe s TYR 78 Ca 0.16 0.20 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 2cwe s TYR 78 Cb -0.12 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 2cwe s TYR 78 CO 0.05 0.04 0.02 0.71 -1.11 0.00 0.00 175.55 175.26 2cwe s TYR 79 N 1.11 3.15 0.11 2.71 1.51 0.20 0.69 117.35 126.82 2cwe s TYR 79 Ca 0.07 0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.32 2cwe s TYR 79 Cb -0.14 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2cwe s TYR 79 CO 0.05 0.49 -0.12 0.20 -1.11 0.00 0.00 175.55 175.05 2cwe s GLY 80 N -1.40 0.97 0.55 0.71 0.00 -0.52 -1.31 107.32 106.32 2cwe s GLY 80 Ca 0.18 -1.24 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 2cwe s GLY 80 CO 0.09 -1.30 1.08 0.50 0.00 0.00 0.00 173.10 173.47 2cwe s ARG 81 N -2.68 3.41 0.00 2.90 0.52 -1.26 -1.06 118.95 120.77 2cwe s ARG 81 Ca 0.07 1.40 0.26 0.00 -0.52 0.00 0.00 55.73 56.94 2cwe s ARG 81 Cb -0.04 -2.03 1.11 0.00 0.52 0.00 0.00 34.95 34.50 2cwe s ARG 81 CO 0.02 -0.76 1.77 0.25 0.02 0.00 0.00 175.30 176.59 2cwe n THR 82 N -1.54 0.05 -3.64 0.02 -2.24 -0.83 -4.80 114.28 101.30 2cwe n THR 82 Ca 0.10 -0.22 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 2cwe n THR 82 Cb 0.52 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.95 2cwe n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cwe s ALA 83 N -1.95 -2.03 0.38 6.98 0.00 -1.26 -4.53 121.76 119.35 2cwe s ALA 83 Ca 0.37 2.16 0.14 0.00 0.00 0.00 0.00 51.96 54.64 2cwe s ALA 83 Cb 0.20 -1.50 0.98 0.00 0.00 0.00 0.00 23.12 22.79 2cwe s ALA 83 CO 0.31 -0.33 1.83 -0.44 0.00 0.00 0.00 175.76 177.14 2cwe h ASP 84 N 5.72 0.52 -3.79 0.00 3.32 0.41 -3.41 116.42 119.19 2cwe h ASP 84 Ca -0.29 0.06 -0.31 0.00 0.02 0.00 0.00 57.03 56.51 2cwe h ASP 84 Cb 1.19 -0.04 -0.29 0.00 0.22 0.00 0.00 39.33 40.41 2cwe h ASP 84 CO 0.15 0.20 -0.74 -0.69 -1.72 0.00 0.00 179.24 176.43 2cwe s VAL 85 N -5.55 0.27 -0.06 -1.35 1.01 -0.46 -4.95 120.40 109.31 2cwe s VAL 85 Ca -0.09 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.80 2cwe s VAL 85 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.33 2cwe s VAL 85 CO 0.79 0.09 -0.13 -0.36 0.00 0.00 0.00 175.10 175.50 2cwe s PHE 86 N 0.10 2.75 -0.08 5.22 0.08 -1.26 -0.06 117.98 124.74 2cwe s PHE 86 Ca -0.01 -0.16 0.03 0.00 0.12 0.00 0.00 56.93 56.91 2cwe s PHE 86 Cb -0.04 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.76 2cwe s PHE 86 CO -0.00 0.19 -0.16 0.71 -0.10 0.00 0.00 175.22 175.86 2cwe s TYR 87 N -0.67 1.81 -0.03 0.36 2.02 0.20 -4.93 117.35 116.10 2cwe s TYR 87 Ca 0.10 -0.72 0.04 0.00 -0.37 0.00 0.00 57.07 56.12 2cwe s TYR 87 Cb -0.11 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 2cwe s TYR 87 CO 0.01 -0.34 -0.13 0.96 -1.57 0.00 0.00 175.55 174.48 2cwe s ILE 88 N 0.62 3.20 -1.20 2.71 -0.00 -1.26 0.98 121.20 126.25 2cwe s ILE 88 Ca -0.15 -0.76 -0.13 0.00 -0.00 0.00 0.00 60.65 59.61 2cwe s ILE 88 Cb -0.16 -2.30 0.18 0.00 -0.00 0.00 0.00 42.46 40.19 2cwe s ILE 88 CO 0.04 0.53 1.42 -3.20 -0.00 0.00 0.00 174.94 173.74 2cwe n ASN 89 N 2.08 5.26 0.28 4.36 2.85 -0.82 -4.84 115.26 124.43 2cwe n ASN 89 Ca -0.17 -2.99 0.19 0.00 -0.11 0.00 0.00 54.58 51.50 2cwe n ASN 89 Cb 0.52 -1.54 0.99 0.00 1.24 0.00 0.00 39.78 40.99 2cwe n ASN 89 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2cwe h LEU 90 N 9.23 0.00 -4.33 1.20 6.46 -1.92 -2.99 115.31 122.97 2cwe h LEU 90 Ca 0.31 0.00 -0.59 0.00 -0.12 0.00 0.00 57.88 57.47 2cwe h LEU 90 Cb 0.86 0.00 -0.41 0.00 -0.73 0.00 0.00 40.66 40.38 2cwe h LEU 90 CO 1.24 0.00 -0.61 -1.22 -0.62 0.00 0.00 178.44 177.23 2cwe n TYR 91 N -2.86 3.21 -2.56 1.25 4.02 -1.26 -4.42 117.16 114.55 2cwe n TYR 91 Ca -0.02 -2.83 -0.41 0.00 -0.01 0.00 0.00 57.90 54.63 2cwe n TYR 91 Cb 0.09 -0.24 0.01 0.00 -0.02 0.00 0.00 39.34 39.18 2cwe n TYR 91 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 2cwe n LEU 92 N -0.55 7.39 0.00 7.72 0.00 -1.13 -4.85 117.00 125.57 2cwe n LEU 92 Ca 0.42 -5.28 0.00 0.00 0.00 0.00 0.00 56.01 51.15 2cwe n LEU 92 Cb 0.72 -1.22 0.00 0.00 0.00 0.00 0.00 43.42 42.92 2cwe n LEU 92 CO 0.37 2.01 0.00 0.61 0.00 0.00 0.00 177.39 180.38 2cwe n GLY 93 N 0.43 0.00 3.69 -3.96 0.00 -1.26 -4.94 105.19 99.14 2cwe n GLY 93 Ca 0.47 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 2cwe n GLY 93 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cwe s ASP 94 N -1.85 7.19 0.13 1.61 -1.08 -1.26 -4.93 116.67 116.48 2cwe s ASP 94 Ca 0.00 1.58 -0.28 0.00 -0.52 0.00 0.00 52.55 53.33 2cwe s ASP 94 Cb 0.00 -2.56 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 2cwe s ASP 94 CO 0.00 -0.49 1.60 -0.08 0.52 0.00 0.00 175.17 176.72 2cwe h GLU 95 N 7.20 -0.47 -0.62 4.34 4.81 -1.99 -0.68 114.58 127.18 2cwe h GLU 95 Ca -0.31 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2cwe h GLU 95 Cb 1.14 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2cwe h GLU 95 CO 0.87 -0.31 0.41 1.49 -0.73 0.00 0.00 179.01 180.73 2cwe h GLU 96 N -0.49 0.78 -0.49 1.92 4.81 -2.00 -0.05 114.58 119.06 2cwe h GLU 96 Ca 0.07 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 2cwe h GLU 96 Cb 0.59 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2cwe h GLU 96 CO -0.31 0.51 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.37 2cwe h LEU 97 N 0.80 0.82 -0.76 1.64 3.38 -1.75 -0.54 115.31 118.90 2cwe h LEU 97 Ca 0.23 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.99 2cwe h LEU 97 Cb -0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2cwe h LEU 97 CO -0.06 0.90 0.50 0.03 0.09 0.00 0.00 178.44 179.91 2cwe h ARG 98 N 0.77 1.00 -0.11 1.13 2.47 0.49 -0.59 114.38 119.55 2cwe h ARG 98 Ca 0.14 -0.06 -0.18 0.00 -1.26 0.00 0.00 59.98 58.62 2cwe h ARG 98 Cb 0.52 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2cwe h ARG 98 CO 0.03 0.66 -0.67 1.88 0.56 0.00 0.00 179.97 182.43 2cwe h TYR 99 N 1.03 0.58 -0.08 3.04 0.05 -1.12 0.82 116.97 121.30 2cwe h TYR 99 Ca 0.28 -0.24 0.03 0.00 0.05 0.00 0.00 58.73 58.84 2cwe h TYR 99 Cb -0.12 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 2cwe h TYR 99 CO -0.02 0.98 -0.10 0.82 -1.05 0.00 0.00 178.16 178.80 2cwe h ILE 100 N 0.32 0.73 -0.52 -2.88 2.04 -0.63 0.70 117.51 117.27 2cwe h ILE 100 Ca -0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2cwe h ILE 100 Cb 1.23 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2cwe h ILE 100 CO 0.12 0.00 0.31 0.00 0.00 0.00 0.00 178.15 178.57 2cwe h ALA 101 N 0.92 0.66 -0.71 1.87 0.00 -0.97 -0.07 119.26 120.96 2cwe h ALA 101 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2cwe h ALA 101 Cb 0.22 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2cwe h ALA 101 CO -0.15 0.01 0.41 0.00 0.00 0.00 0.00 179.25 179.52 2cwe h ARG 102 N 0.61 0.74 0.43 0.00 2.47 0.22 -1.28 114.38 117.57 2cwe h ARG 102 Ca 0.21 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.86 2cwe h ARG 102 Cb 0.03 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2cwe h ARG 102 CO -0.10 0.49 -0.21 0.77 0.56 0.00 0.00 179.97 181.48 2cwe h SER 103 N 0.76 -0.49 -0.50 7.04 0.02 0.16 -0.66 113.55 119.87 2cwe h SER 103 Ca 0.31 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.37 2cwe h SER 103 Cb 0.17 0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 2cwe h SER 103 CO -0.17 -0.35 0.06 0.03 -1.14 0.00 0.00 176.83 175.26 2cwe h ARG 104 N -0.59 0.18 -0.68 3.45 3.08 -0.84 -0.03 114.38 118.95 2cwe h ARG 104 Ca -0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2cwe h ARG 104 Cb 0.45 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 2cwe h ARG 104 CO 0.10 0.12 0.39 -0.07 -1.07 0.00 0.00 179.97 179.43 2cwe h LEU 105 N 0.18 0.83 -0.75 3.04 3.38 -1.05 -2.04 115.31 118.91 2cwe h LEU 105 Ca 0.25 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.06 2cwe h LEU 105 Cb 0.36 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2cwe h LEU 105 CO -0.36 0.66 -0.18 0.11 0.09 0.00 0.00 178.44 178.75 2cwe h LYS 106 N 0.94 0.75 -0.49 1.13 1.57 0.05 -1.60 116.57 118.92 2cwe h LYS 106 Ca 0.24 -0.28 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2cwe h LYS 106 Cb 0.00 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 2cwe h LYS 106 CO -0.04 0.88 0.20 1.15 -0.57 0.00 0.00 179.45 181.07 2cwe h THR 107 N 0.67 0.87 -0.58 -0.16 2.02 -0.33 0.49 112.91 115.88 2cwe h THR 107 Ca 0.10 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.16 2cwe h THR 107 Cb 0.68 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 2cwe h THR 107 CO 0.05 0.07 0.38 0.11 0.37 0.00 0.00 175.52 176.50 2cwe h LYS 108 N 0.39 0.74 0.00 6.66 6.56 -1.15 0.65 116.57 130.42 2cwe h LYS 108 Ca 0.23 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.77 2cwe h LYS 108 Cb 0.22 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2cwe h LYS 108 CO -0.22 0.49 -0.02 0.82 -2.06 0.00 0.00 179.45 178.47 2cwe h ILE 109 N 0.77 0.68 0.11 1.86 2.04 -0.00 0.61 117.51 123.56 2cwe h ILE 109 Ca 0.22 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 2cwe h ILE 109 Cb -0.06 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2cwe h ILE 109 CO -0.06 0.02 -0.05 0.44 0.00 0.00 0.00 178.15 178.50 2cwe h ASP 110 N 0.00 -0.12 -0.52 1.72 3.32 0.11 -2.72 116.42 118.20 2cwe h ASP 110 Ca -0.00 -0.26 0.11 0.00 0.02 0.00 0.00 57.03 56.90 2cwe h ASP 110 Cb 0.05 0.03 -0.09 0.00 0.22 0.00 0.00 39.33 39.53 2cwe h ASP 110 CO 0.00 0.20 -0.07 0.40 -1.72 0.00 0.00 179.24 178.05 2cwe h ILE 111 N -0.45 0.52 0.04 0.35 2.04 -0.07 0.21 117.51 120.15 2cwe h ILE 111 Ca -0.01 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2cwe h ILE 111 Cb 0.37 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2cwe h ILE 111 CO 0.02 0.01 -0.14 -0.26 0.00 0.00 0.00 178.15 177.79 2cwe h PHE 112 N 0.05 -0.40 -0.90 1.37 0.04 -0.90 0.19 116.94 116.39 2cwe h PHE 112 Ca 0.26 0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.21 2cwe h PHE 112 Cb 0.40 0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.65 2cwe h PHE 112 CO -0.39 -0.16 0.58 0.87 -0.60 0.00 0.00 178.31 178.62 2cwe h LYS 113 N -0.20 0.57 0.00 1.51 1.57 -1.29 1.13 116.57 119.86 2cwe h LYS 113 Ca -0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2cwe h LYS 113 Cb 0.20 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2cwe h LYS 113 CO -0.07 0.38 0.00 -2.13 -0.57 0.00 0.00 179.45 177.06 2cwe n ARG 114 N -4.56 0.10 -0.32 3.15 3.00 0.71 -1.76 116.66 116.98 2cwe n ARG 114 Ca 0.18 0.36 0.08 0.00 -0.00 0.00 0.00 57.85 58.47 2cwe n ARG 114 Cb 0.56 -1.70 0.24 0.00 0.00 0.00 0.00 32.46 31.56 2cwe n ARG 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2cwe n LEU 115 N -1.89 3.55 0.00 6.15 4.77 0.38 -4.94 117.00 125.03 2cwe n LEU 115 Ca 0.03 -2.17 0.00 0.00 -0.03 0.00 0.00 56.01 53.83 2cwe n LEU 115 Cb 0.19 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2cwe n LEU 115 CO 0.16 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 2cwe n GLY 116 N 0.78 0.78 3.54 -0.72 0.00 -0.72 -5.05 105.19 103.79 2cwe n GLY 116 Ca 0.18 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 2cwe n GLY 116 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cwe s TYR 117 N -2.00 3.23 -0.27 1.61 2.02 -0.75 -4.75 117.35 116.43 2cwe s TYR 117 Ca 0.00 -0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 56.43 2cwe s TYR 117 Cb 0.00 -2.47 -0.05 0.00 -0.40 0.00 0.00 41.96 39.04 2cwe s TYR 117 CO 0.00 -0.34 0.18 1.14 -1.57 0.00 0.00 175.55 174.97 2cwe s GLN 118 N 1.73 3.97 0.15 -0.62 -2.07 -1.26 -3.46 119.66 118.09 2cwe s GLN 118 Ca 0.06 -0.31 -0.25 0.00 -1.82 0.00 0.00 55.36 53.04 2cwe s GLN 118 Cb -0.17 -3.64 0.07 0.00 -1.09 0.00 0.00 33.01 28.18 2cwe s GLN 118 CO 0.11 -0.14 1.02 -0.59 -1.32 0.00 0.00 175.29 174.37 2cwe s PHE 119 N 1.65 -0.05 -0.68 9.60 -0.12 -1.26 -4.72 117.98 122.40 2cwe s PHE 119 Ca 0.07 -0.26 -0.21 0.00 -0.05 0.00 0.00 56.93 56.48 2cwe s PHE 119 Cb -0.16 0.65 0.09 0.00 -0.63 0.00 0.00 43.02 42.97 2cwe s PHE 119 CO 0.10 -0.80 0.92 -2.00 -0.05 0.00 0.00 175.22 173.39 2cwe s GLU 120 N -2.82 3.16 0.63 1.99 -6.30 -1.26 -4.91 118.70 109.19 2cwe s GLU 120 Ca 0.16 -1.08 0.18 0.00 -2.50 0.00 0.00 54.97 51.73 2cwe s GLU 120 Cb -0.01 -4.33 0.79 0.00 0.00 0.00 0.00 34.13 30.58 2cwe s GLU 120 CO 0.03 -1.75 1.37 0.93 0.02 0.00 0.00 175.26 175.86 2cwe h GLU 121 N 9.38 0.00 0.08 4.30 3.07 -1.99 -2.62 114.58 126.80 2cwe h GLU 121 Ca -0.23 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2cwe h GLU 121 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2cwe h GLU 121 CO 1.15 0.00 -0.04 -0.91 -1.40 0.00 0.00 179.01 177.81 2cwe h ASN 122 N 0.00 -0.09 -0.93 1.42 2.35 -1.99 -1.35 115.58 114.99 2cwe h ASN 122 Ca 0.22 -0.16 0.10 0.00 -0.55 0.00 0.00 56.30 55.91 2cwe h ASN 122 Cb 2.05 0.02 -0.07 0.00 0.05 0.00 0.00 38.32 40.37 2cwe h ASN 122 CO -0.00 0.47 0.60 -0.08 -1.65 0.00 0.00 177.43 176.76 2cwe h GLU 123 N -1.01 0.92 0.71 0.81 4.81 -1.91 -1.79 114.58 117.12 2cwe h GLU 123 Ca -0.01 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 2cwe h GLU 123 Cb 0.25 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2cwe h GLU 123 CO 0.02 0.61 -0.34 1.25 -0.73 0.00 0.00 179.01 179.82 2cwe h LEU 124 N 0.95 -0.80 -0.96 1.64 6.46 -1.58 -1.58 115.31 119.44 2cwe h LEU 124 Ca 0.44 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 58.25 2cwe h LEU 124 Cb 0.40 0.21 -0.06 0.00 -0.73 0.00 0.00 40.66 40.47 2cwe h LEU 124 CO -0.20 -0.53 0.62 0.25 -0.62 0.00 0.00 178.44 177.97 2cwe h LEU 125 N -1.02 1.02 -1.06 2.25 5.85 -1.00 0.93 115.31 122.27 2cwe h LEU 125 Ca -0.10 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2cwe h LEU 125 Cb 0.74 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 2cwe h LEU 125 CO 0.16 0.67 0.63 0.78 -0.34 0.00 0.00 178.44 180.34 2cwe h ASN 126 N 1.17 1.01 -0.08 1.25 2.35 -1.22 0.26 115.58 120.31 2cwe h ASN 126 Ca 0.40 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.05 2cwe h ASN 126 Cb 0.08 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2cwe h ASN 126 CO -0.15 0.66 -0.35 0.40 -1.65 0.00 0.00 177.43 176.34 2cwe h ILE 127 N 1.15 1.41 -0.18 2.81 2.04 -0.14 -0.81 117.51 123.79 2cwe h ILE 127 Ca 0.41 -1.72 0.05 0.00 1.00 0.00 0.00 64.86 64.60 2cwe h ILE 127 Cb 0.13 2.26 -0.06 0.00 -0.74 0.00 0.00 36.82 38.42 2cwe h ILE 127 CO -0.15 0.50 -0.22 0.24 0.00 0.00 0.00 178.15 178.52 2cwe h MET 128 N -0.08 -0.24 0.31 2.37 2.86 -0.40 0.57 114.93 120.32 2cwe h MET 128 Ca -0.02 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2cwe h MET 128 Cb 0.99 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 2cwe h MET 128 CO 0.07 -0.16 -0.24 0.22 1.06 0.00 0.00 176.91 177.86 2cwe h ASP 129 N -0.25 -0.64 -0.55 1.22 3.58 -0.97 0.33 116.42 119.15 2cwe h ASP 129 Ca 0.12 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.65 2cwe h ASP 129 Cb 0.43 0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 2cwe h ASP 129 CO -0.33 -0.37 0.36 0.03 -2.88 0.00 0.00 179.24 176.05 2cwe h ARG 130 N -0.56 0.62 -0.03 0.28 3.08 -0.87 0.62 114.38 117.52 2cwe h ARG 130 Ca -0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 2cwe h ARG 130 Cb 0.49 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2cwe h ARG 130 CO -0.01 0.41 -0.11 0.52 -1.07 0.00 0.00 179.97 179.71 2cwe h MET 131 N 0.64 0.12 -0.32 0.04 2.86 -0.55 -2.98 114.93 114.75 2cwe h MET 131 Ca 0.22 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2cwe h MET 131 Cb 0.08 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2cwe h MET 131 CO -0.06 0.74 -0.02 1.03 1.06 0.00 0.00 176.91 179.67 2cwe h SER 132 N -0.48 0.46 -0.41 1.22 0.87 0.16 0.53 113.55 115.90 2cwe h SER 132 Ca -0.01 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2cwe h SER 132 Cb 0.76 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.58 2cwe h SER 132 CO 0.02 0.54 0.25 -0.61 -0.53 0.00 0.00 176.83 176.50 2cwe h GLN 133 N 0.47 0.55 -0.26 2.24 4.15 0.21 0.03 115.11 122.50 2cwe h GLN 133 Ca 0.10 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.36 2cwe h GLN 133 Cb 0.33 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2cwe h GLN 133 CO 0.01 0.41 -0.31 0.87 -1.93 0.00 0.00 178.83 177.88 2cwe h LYS 134 N 0.54 0.54 -0.54 1.69 1.57 -1.23 -0.77 116.57 118.37 2cwe h LYS 134 Ca 0.15 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2cwe h LYS 134 Cb -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2cwe h LYS 134 CO -0.03 0.79 0.05 0.93 -0.57 0.00 0.00 179.45 180.62 2cwe h GLU 135 N 0.46 0.91 -0.39 3.15 5.08 -0.49 -1.08 114.58 122.22 2cwe h GLU 135 Ca 0.06 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 2cwe h GLU 135 Cb 0.77 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2cwe h GLU 135 CO 0.06 0.90 -0.09 0.74 -1.00 0.00 0.00 179.01 179.63 2cwe h PHE 136 N 0.79 0.84 -0.27 4.33 -1.00 -0.76 -1.39 116.94 119.48 2cwe h PHE 136 Ca 0.16 -0.18 -0.06 0.00 2.81 0.00 0.00 57.97 60.70 2cwe h PHE 136 Cb 0.45 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 2cwe h PHE 136 CO 0.03 0.88 -0.11 -0.44 -1.61 0.00 0.00 178.31 177.06 2cwe h ASP 137 N 0.56 0.42 -0.07 2.17 3.32 -1.02 0.71 116.42 122.51 2cwe h ASP 137 Ca 0.10 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 2cwe h ASP 137 Cb 0.60 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2cwe h ASP 137 CO 0.04 0.57 -0.23 0.00 -1.72 0.00 0.00 179.24 177.90 2cwe h ALA 138 N 1.47 0.12 -0.15 3.45 0.00 -1.09 0.11 119.26 123.18 2cwe h ALA 138 Ca 0.08 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2cwe h ALA 138 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2cwe h ALA 138 CO 0.03 0.11 -0.15 1.15 0.00 0.00 0.00 179.25 180.38 2cwe h THR 139 N -0.22 1.19 -0.43 0.00 2.02 -1.10 0.12 112.91 114.50 2cwe h THR 139 Ca -0.01 -0.85 -0.12 0.00 0.77 0.00 0.00 66.41 66.20 2cwe h THR 139 Cb 0.86 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 2cwe h THR 139 CO 0.05 0.26 -0.23 0.58 0.37 0.00 0.00 175.52 176.55 2cwe h VAL 140 N 0.23 1.27 0.12 3.16 2.07 -0.78 -2.21 116.25 120.11 2cwe h VAL 140 Ca 0.04 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 2cwe h VAL 140 Cb 0.41 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2cwe h VAL 140 CO 0.03 0.46 -0.06 -0.09 0.02 0.00 0.00 177.57 177.93 2cwe h ARG 141 N 0.75 -0.16 0.00 1.57 2.43 0.12 -2.11 114.38 116.99 2cwe h ARG 141 Ca 0.10 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.16 2cwe h ARG 141 Cb 0.77 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 2cwe h ARG 141 CO 0.06 0.12 -0.55 -0.84 -1.51 0.00 0.00 179.97 177.25 2cwe h ILE 142 N -0.43 1.12 0.00 1.20 -0.00 -0.93 -3.07 117.51 115.39 2cwe h ILE 142 Ca -0.02 -2.11 -0.13 0.00 -0.00 0.00 0.00 64.86 62.60 2cwe h ILE 142 Cb 0.35 2.24 -0.02 0.00 -0.00 0.00 0.00 36.82 39.39 2cwe h ILE 142 CO 0.03 0.54 -0.62 0.77 -0.00 0.00 0.00 178.15 178.86 2cwe h SER 143 N 0.00 0.00 -0.07 2.16 4.64 -1.42 -2.66 113.55 116.20 2cwe h SER 143 Ca -0.01 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.33 2cwe h SER 143 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 2cwe h SER 143 CO 0.07 0.62 -0.05 0.11 -0.87 0.00 0.00 176.83 176.72 2cwe h LYS 144 N 0.00 -0.05 -0.81 4.77 1.79 -1.28 0.13 116.57 121.13 2cwe h LYS 144 Ca -0.01 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2cwe h LYS 144 Cb 1.21 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.82 2cwe h LYS 144 CO 0.08 -0.03 0.53 -0.92 -1.08 0.00 0.00 179.45 178.03 2cwe h TYR 145 N -0.05 0.88 -0.30 -1.35 5.03 -1.53 -2.00 116.97 117.64 2cwe h TYR 145 Ca 0.05 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 2cwe h TYR 145 Cb 0.11 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.09 2cwe h TYR 145 CO -0.15 0.45 0.07 0.82 -1.32 0.00 0.00 178.16 178.03 2cwe h ILE 146 N 0.86 1.22 -1.14 1.81 1.08 -0.89 -2.38 117.51 118.07 2cwe h ILE 146 Ca 0.35 -0.73 0.32 0.00 -0.39 0.00 0.00 64.86 64.41 2cwe h ILE 146 Cb 0.27 1.12 -0.09 0.00 -3.07 0.00 0.00 36.82 35.05 2cwe h ILE 146 CO -0.13 0.24 0.76 -0.33 -0.69 0.00 0.00 178.15 178.00 2cwe h GLU 147 N 0.32 0.23 -0.02 2.37 5.08 -0.24 0.62 114.58 122.95 2cwe h GLU 147 Ca 0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2cwe h GLU 147 Cb 0.29 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2cwe h GLU 147 CO 0.00 0.15 -0.03 -0.85 -1.00 0.00 0.00 179.01 177.28 2cwe n GLU 148 N -4.52 1.71 -0.41 2.33 0.28 -0.93 -4.05 120.64 115.05 2cwe n GLU 148 Ca 0.28 -1.11 0.07 0.00 -0.16 0.00 0.00 57.16 56.24 2cwe n GLU 148 Cb 1.08 -1.48 0.16 0.00 1.43 0.00 0.00 31.44 32.63 2cwe n GLU 148 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2cwe n LYS 149 N 0.32 1.27 -0.19 3.44 4.01 0.21 -4.84 118.16 122.39 2cwe n LYS 149 Ca 0.17 -2.78 0.00 0.00 -0.51 0.00 0.00 58.31 55.20 2cwe n LYS 149 Cb 0.40 -1.41 0.26 0.00 -0.51 0.00 0.00 35.03 33.77 2cwe n LYS 149 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2cwe h GLU 150 N 0.50 0.93 -0.44 1.97 5.08 -1.60 -2.56 114.58 118.46 2cwe h GLU 150 Ca -0.01 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2cwe h GLU 150 Cb 1.07 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 2cwe h GLU 150 CO 0.01 0.64 0.19 -0.44 -1.00 0.00 0.00 179.01 178.40 2cwe h ASP 151 N 0.95 0.25 -0.17 1.42 3.32 -1.91 -1.24 116.42 119.05 2cwe h ASP 151 Ca 0.25 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.39 2cwe h ASP 151 Cb -0.07 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2cwe h ASP 151 CO -0.05 0.18 0.18 0.00 -1.72 0.00 0.00 179.24 177.83 2cwe h ALA 152 N 1.26 1.80 -0.01 3.45 0.00 -1.85 -1.30 119.26 122.61 2cwe h ALA 152 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2cwe h ALA 152 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2cwe h ALA 152 CO -0.17 -0.27 -0.26 1.28 0.00 0.00 0.00 179.25 179.84 2cwe n LEU 153 N -3.84 1.70 -0.50 0.00 4.77 -0.51 -4.51 117.00 114.11 2cwe n LEU 153 Ca 0.01 -0.56 0.40 0.00 -0.03 0.00 0.00 56.01 55.83 2cwe n LEU 153 Cb 0.30 -0.05 0.62 0.00 -2.33 0.00 0.00 43.42 41.97 2cwe n LEU 153 CO 0.28 0.30 1.24 2.29 -1.33 0.00 0.00 177.39 180.17 2cwe n LYS 154 N -0.05 0.00 -0.60 3.23 2.85 -0.49 0.63 118.16 123.73 2cwe n LYS 154 Ca 0.13 0.92 0.06 0.00 -1.05 0.00 0.00 58.31 58.37 2cwe n LYS 154 Cb 0.42 -2.18 0.30 0.00 -0.65 0.00 0.00 35.03 32.93 2cwe n LYS 154 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2cwe n ASP 155 N -3.47 4.32 -4.23 -5.58 5.75 -1.26 -4.95 116.55 107.12 2cwe n ASP 155 Ca 0.34 -2.55 -0.20 0.00 -0.01 0.00 0.00 54.79 52.37 2cwe n ASP 155 Cb 1.64 -0.58 -0.12 0.00 -1.03 0.00 0.00 41.12 41.03 2cwe n ASP 155 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2cwe s PHE 156 N -2.09 1.49 0.85 2.11 0.40 0.20 -5.15 117.98 115.79 2cwe s PHE 156 Ca 0.42 -0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 2cwe s PHE 156 Cb 0.30 -0.81 0.10 0.00 0.51 0.00 0.00 43.02 43.12 2cwe s PHE 156 CO 0.16 0.14 1.16 -1.54 0.70 0.00 0.00 175.22 175.84 2cwe s SER 157 N -1.99 4.11 0.11 1.36 1.04 -1.26 -4.93 113.70 112.14 2cwe s SER 157 Ca 0.04 0.85 0.03 0.00 0.48 0.00 0.00 55.95 57.35 2cwe s SER 157 Cb -0.09 -1.38 -0.20 0.00 0.10 0.00 0.00 66.02 64.45 2cwe s SER 157 CO 0.03 -2.16 1.25 0.78 0.98 0.00 0.00 173.24 174.12 2cwe h ASN 158 N -1.23 0.17 -0.61 7.02 2.35 -1.98 -2.51 115.58 118.78 2cwe h ASN 158 Ca -0.48 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.08 2cwe h ASN 158 Cb 1.33 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.62 2cwe h ASN 158 CO 0.64 1.11 0.31 -0.08 -1.65 0.00 0.00 177.43 177.76 2cwe h GLU 159 N 0.04 0.90 0.02 0.81 4.81 -1.99 0.34 114.58 119.51 2cwe h GLU 159 Ca -0.06 -0.12 -0.24 0.00 -0.13 0.00 0.00 59.36 58.82 2cwe h GLU 159 Cb 1.80 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 31.02 2cwe h GLU 159 CO 0.15 0.69 -1.01 -0.44 -0.73 0.00 0.00 179.01 177.68 2cwe h ASP 160 N 0.90 0.62 -0.02 1.04 3.32 -1.95 -1.68 116.42 118.66 2cwe h ASP 160 Ca 0.22 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 2cwe h ASP 160 Cb 0.09 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2cwe h ASP 160 CO -0.03 1.33 0.01 0.40 -1.72 0.00 0.00 179.24 179.23 2cwe h ILE 161 N 0.25 1.06 -0.15 0.35 1.08 -1.09 0.11 117.51 119.12 2cwe h ILE 161 Ca -0.10 -0.17 0.05 0.00 -0.39 0.00 0.00 64.86 64.24 2cwe h ILE 161 Cb 1.66 1.14 -0.06 0.00 -3.07 0.00 0.00 36.82 36.50 2cwe h ILE 161 CO 0.18 0.05 -0.22 0.40 -0.69 0.00 0.00 178.15 177.86 2cwe h ILE 162 N -0.04 0.45 -0.02 -0.67 2.04 -0.94 0.14 117.51 118.48 2cwe h ILE 162 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 2cwe h ILE 162 Cb 0.07 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2cwe h ILE 162 CO -0.00 0.00 -0.04 0.45 0.00 0.00 0.00 178.15 178.56 2cwe h HIS 163 N -0.28 0.02 -0.23 1.37 3.86 -1.06 -1.88 115.15 116.96 2cwe h HIS 163 Ca 0.11 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 2cwe h HIS 163 Cb 0.43 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2cwe h HIS 163 CO -0.33 0.06 -0.02 0.00 0.86 0.00 0.00 177.93 178.50 2cwe h ALA 164 N 1.94 0.31 -0.20 2.45 0.00 0.13 -2.53 119.26 121.36 2cwe h ALA 164 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2cwe h ALA 164 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2cwe h ALA 164 CO 0.00 0.06 0.13 0.82 0.00 0.00 0.00 179.25 180.27 2cwe h ILE 165 N 0.18 1.05 0.53 0.00 2.04 -0.13 -1.79 117.51 119.39 2cwe h ILE 165 Ca 0.06 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2cwe h ILE 165 Cb 0.44 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2cwe h ILE 165 CO 0.02 0.05 -0.28 -0.33 0.00 0.00 0.00 178.15 177.61 2cwe h GLU 166 N 0.28 -0.72 0.70 2.37 5.08 -0.95 0.15 114.58 121.49 2cwe h GLU 166 Ca 0.07 0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 2cwe h GLU 166 Cb -0.03 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2cwe h GLU 166 CO -0.02 -0.48 -0.50 -1.49 -1.00 0.00 0.00 179.01 175.53 2cwe h TRP 167 N -0.75 -1.34 -0.59 4.33 4.06 -1.19 0.77 115.95 121.25 2cwe h TRP 167 Ca -0.07 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 60.99 2cwe h TRP 167 Cb 0.59 0.49 -0.11 0.00 -1.00 0.00 0.00 29.16 29.13 2cwe h TRP 167 CO -0.06 -0.71 -0.15 -0.07 -3.56 0.00 0.00 178.44 173.88 2cwe h LEU 168 N -1.14 -0.57 -0.46 -4.49 3.38 -1.37 0.77 115.31 111.44 2cwe h LEU 168 Ca -0.09 0.18 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2cwe h LEU 168 Cb 0.94 0.37 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 2cwe h LEU 168 CO 0.05 -0.20 0.20 -1.28 0.09 0.00 0.00 178.44 177.30 2cwe h SER 169 N -0.01 0.25 -0.47 -0.43 0.87 -0.24 0.67 113.55 114.20 2cwe h SER 169 Ca 0.28 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 2cwe h SER 169 Cb 0.44 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2cwe h SER 169 CO -0.61 0.18 0.19 0.74 -0.53 0.00 0.00 176.83 176.81 2cwe h THR 170 N 0.39 1.19 -0.47 2.23 2.02 0.41 -0.70 112.91 117.99 2cwe h THR 170 Ca 0.21 -0.62 -0.13 0.00 0.77 0.00 0.00 66.41 66.64 2cwe h THR 170 Cb 0.16 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2cwe h THR 170 CO -0.18 0.24 -0.21 0.00 0.37 0.00 0.00 175.52 175.75 2cwe h ALA 171 N 1.48 0.65 -0.72 6.16 0.00 0.13 0.78 119.26 127.74 2cwe h ALA 171 Ca 0.18 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2cwe h ALA 171 Cb 0.17 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2cwe h ALA 171 CO -0.01 0.63 0.42 0.93 0.00 0.00 0.00 179.25 181.22 2cwe h GLU 172 N 0.81 0.76 -0.45 0.00 4.39 -0.12 -2.16 114.58 117.81 2cwe h GLU 172 Ca 0.11 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.68 2cwe h GLU 172 Cb 0.78 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2cwe h GLU 172 CO 0.06 0.50 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.31 2cwe h LEU 173 N 0.78 0.82 0.00 1.33 3.38 -0.77 -2.66 115.31 118.20 2cwe h LEU 173 Ca 0.31 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2cwe h LEU 173 Cb 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2cwe h LEU 173 CO -0.16 0.95 0.00 0.00 0.09 0.00 0.00 178.44 179.32 2cwe n ALA 174 N -2.44 1.00 0.31 1.53 0.00 0.23 -1.27 120.51 119.87 2cwe n ALA 174 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2cwe n ALA 174 Cb 0.33 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 18.95 2cwe n ALA 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2cwe n ARG 175 N -1.49 2.16 -3.60 0.00 1.74 -1.00 -4.86 116.66 109.60 2cwe n ARG 175 Ca 0.00 -2.00 -0.40 0.00 -0.77 0.00 0.00 57.85 54.68 2cwe n ARG 175 Cb 0.00 -1.41 -0.11 0.00 -1.02 0.00 0.00 32.46 29.92 2cwe n ARG 175 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2cwe s ASP 176 N -1.34 5.72 0.36 0.55 -1.08 -0.40 -4.97 116.67 115.51 2cwe s ASP 176 Ca 0.30 -0.71 0.04 0.00 -0.52 0.00 0.00 52.55 51.66 2cwe s ASP 176 Cb 0.18 -2.04 0.68 0.00 -1.46 0.00 0.00 42.92 40.29 2cwe s ASP 176 CO 0.25 -0.29 2.00 -0.33 0.52 0.00 0.00 175.17 177.32 2cwe h GLU 177 N 8.42 0.78 -0.25 4.34 5.08 -1.89 -1.42 114.58 129.64 2cwe h GLU 177 Ca -0.29 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2cwe h GLU 177 Cb 1.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2cwe h GLU 177 CO 0.65 0.52 0.09 1.49 -1.00 0.00 0.00 179.01 180.76 2cwe h GLU 178 N 0.81 0.39 -0.57 2.33 4.81 -1.95 -2.03 114.58 118.37 2cwe h GLU 178 Ca 0.25 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.46 2cwe h GLU 178 Cb 0.02 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 2cwe h GLU 178 CO -0.07 0.43 0.29 -0.92 -0.73 0.00 0.00 179.01 178.02 2cwe h TYR 179 N 0.26 0.54 -0.35 0.92 3.20 -1.59 0.13 116.97 120.07 2cwe h TYR 179 Ca 0.08 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2cwe h TYR 179 Cb 0.20 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2cwe h TYR 179 CO -0.00 0.25 0.09 -0.07 -1.64 0.00 0.00 178.16 176.79 2cwe h LEU 180 N 0.56 0.46 -0.30 2.82 3.38 -1.19 0.38 115.31 121.43 2cwe h LEU 180 Ca 0.25 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2cwe h LEU 180 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2cwe h LEU 180 CO -0.18 0.46 -0.14 -0.08 0.09 0.00 0.00 178.44 178.59 2cwe h GLU 181 N 0.50 0.62 -0.74 1.13 4.81 -0.42 -1.31 114.58 119.17 2cwe h GLU 181 Ca 0.12 -0.27 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 2cwe h GLU 181 Cb 0.18 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 2cwe h GLU 181 CO -0.01 0.85 0.29 -0.07 -0.73 0.00 0.00 179.01 179.34 2cwe h LEU 182 N 0.37 1.02 0.02 1.64 3.38 0.05 -0.98 115.31 120.81 2cwe h LEU 182 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2cwe h LEU 182 Cb 0.66 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2cwe h LEU 182 CO 0.04 0.91 -0.03 0.25 0.09 0.00 0.00 178.44 179.70 2cwe h LEU 183 N 1.08 -0.07 0.03 1.67 5.85 -0.09 -1.45 115.31 122.33 2cwe h LEU 183 Ca 0.25 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 2cwe h LEU 183 Cb 0.21 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2cwe h LEU 183 CO -0.02 -0.04 -0.02 0.11 -0.34 0.00 0.00 178.44 178.13 2cwe h LYS 184 N -0.06 -0.05 -0.53 1.25 1.57 -0.80 -1.34 116.57 116.61 2cwe h LYS 184 Ca 0.00 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2cwe h LYS 184 Cb 0.06 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 2cwe h LYS 184 CO -0.01 -0.03 -0.02 0.00 -0.57 0.00 0.00 179.45 178.81 2cwe h ARG 185 N -0.05 0.09 -1.01 3.15 2.47 -1.06 0.54 114.38 118.51 2cwe h ARG 185 Ca -0.00 -0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.86 2cwe h ARG 185 Cb 0.04 -0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 28.25 2cwe h ARG 185 CO 0.00 0.06 0.63 1.25 0.56 0.00 0.00 179.97 182.47 2cwe h LEU 186 N 0.09 0.88 -0.23 3.04 5.85 -0.76 0.70 115.31 124.88 2cwe h LEU 186 Ca 0.27 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.06 2cwe h LEU 186 Cb 0.42 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2cwe h LEU 186 CO -0.47 0.42 0.15 1.23 -0.34 0.00 0.00 178.44 179.43 2cwe h GLY 187 N 0.92 0.33 0.90 3.75 0.00 0.11 -1.18 103.07 107.89 2cwe h GLY 187 Ca 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.70 2cwe h GLY 187 CO -0.31 0.12 0.08 1.76 0.00 0.00 0.00 176.54 178.20 2cwe h SER 188 N 0.30 0.45 0.59 0.19 0.02 0.13 -3.35 113.55 111.89 2cwe h SER 188 Ca 0.08 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2cwe h SER 188 Cb -0.02 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.40 2cwe h SER 188 CO -0.02 0.56 -0.29 0.40 -1.14 0.00 0.00 176.83 176.34 2cwe h ILE 189 N 0.33 0.00 0.00 3.27 1.08 0.46 -3.37 117.51 119.28 2cwe h ILE 189 Ca 0.10 -0.08 -0.39 0.00 -0.39 0.00 0.00 64.86 64.10 2cwe h ILE 189 Cb 0.27 0.00 0.04 0.00 -3.07 0.00 0.00 36.82 34.06 2cwe h ILE 189 CO -0.00 0.00 2.00 0.18 -0.69 0.00 0.00 178.15 179.64 2cwe n LEU 190 N -4.37 3.06 0.00 1.44 4.77 -0.46 -4.83 117.00 116.60 2cwe n LEU 190 Ca -0.10 -2.27 0.00 0.00 -0.03 0.00 0.00 56.01 53.61 2cwe n LEU 190 Cb 0.31 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2cwe n LEU 190 CO 0.24 -0.40 0.00 0.29 -1.33 0.00 0.00 177.39 176.19 2cwe n LYS 191 N 5.58 0.00 0.00 3.23 5.02 -1.26 -4.98 118.16 125.75 2cwe n LYS 191 Ca 0.36 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2cwe n LYS 191 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.22 2cwe n LYS 191 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75