#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou n LEU 2 N 0.00 2.66 -0.34 3.17 4.77 -1.26 -4.27 117.00 121.73 1sou n LEU 2 Ca 0.00 -1.29 0.07 0.00 -0.03 0.00 0.00 56.01 54.76 1sou n LEU 2 Cb 0.00 -0.30 0.23 0.00 -2.33 0.00 0.00 43.42 41.02 1sou n LEU 2 CO 0.00 0.64 1.20 0.11 -1.33 0.00 0.00 177.39 178.02 1sou h LYS 3 N 3.03 0.88 -0.53 3.23 1.57 -1.95 -1.15 116.57 121.65 1sou h LYS 3 Ca 0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1sou h LYS 3 Cb 0.69 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1sou h LYS 3 CO 0.00 0.58 0.23 0.77 -0.57 0.00 0.00 179.45 180.46 1sou h SER 4 N 0.91 0.69 0.08 0.86 0.02 -1.90 -0.40 113.55 113.80 1sou h SER 4 Ca 0.49 -0.08 -0.20 0.00 -0.84 0.00 0.00 61.79 61.16 1sou h SER 4 Cb 0.52 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 62.90 1sou h SER 4 CO -0.28 0.61 -0.83 -0.33 -1.14 0.00 0.00 176.83 174.86 1sou h GLU 5 N 0.76 0.42 -0.77 3.45 4.39 -1.56 -3.02 114.58 118.24 1sou h GLU 5 Ca 0.18 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1sou h GLU 5 Cb 0.13 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1sou h GLU 5 CO -0.02 1.22 0.45 1.25 -1.16 0.00 0.00 179.01 180.75 1sou h LEU 6 N -0.12 0.94 0.01 1.33 5.85 -1.15 -2.82 115.31 119.35 1sou h LEU 6 Ca -0.13 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.56 1sou h LEU 6 Cb 1.58 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 1sou h LEU 6 CO 0.16 0.74 -0.24 -0.09 -0.34 0.00 0.00 178.44 178.67 1sou h ARG 7 N 1.07 -0.37 0.00 1.25 2.43 -1.08 -1.62 114.38 116.06 1sou h ARG 7 Ca 0.28 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 1sou h ARG 7 Cb -0.01 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1sou h ARG 7 CO -0.05 -0.25 -0.19 1.57 -1.51 0.00 0.00 179.97 179.55 1sou h LYS 8 N -0.38 0.00 -0.03 0.20 5.09 -1.38 0.94 116.57 121.01 1sou h LYS 8 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.73 1sou h LYS 8 Cb 0.46 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.79 1sou h LYS 8 CO -0.21 0.19 -0.25 -0.22 -2.09 0.00 0.00 179.45 176.87 1sou h LYS 9 N 0.00 0.23 -0.33 0.07 3.64 -1.22 -1.23 116.57 117.73 1sou h LYS 9 Ca -0.00 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1sou h LYS 9 Cb 0.56 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1sou h LYS 9 CO 0.02 0.88 -0.01 0.28 -2.27 0.00 0.00 179.45 178.36 1sou h VAL 10 N -0.35 1.26 -0.45 2.00 2.07 -0.97 -1.49 116.25 118.31 1sou h VAL 10 Ca -0.02 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1sou h VAL 10 Cb 0.94 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1sou h VAL 10 CO 0.05 0.32 0.29 0.25 0.02 0.00 0.00 177.57 178.50 1sou h LEU 11 N 0.38 0.50 -0.61 2.57 5.85 -0.90 -0.06 115.31 123.05 1sou h LEU 11 Ca 0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 1sou h LEU 11 Cb 0.45 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1sou h LEU 11 CO 0.02 0.36 0.31 -0.74 -0.34 0.00 0.00 178.44 178.05 1sou h HIS 12 N 0.60 0.87 -0.72 1.25 2.76 -1.10 0.15 115.15 118.95 1sou h HIS 12 Ca 0.17 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1sou h HIS 12 Cb -0.05 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.60 1sou h HIS 12 CO -0.05 0.64 0.33 -0.22 -1.30 0.00 0.00 177.93 177.33 1sou h LYS 13 N 0.84 1.04 0.29 5.26 3.64 -0.94 -0.28 116.57 126.43 1sou h LYS 13 Ca 0.21 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1sou h LYS 13 Cb 0.09 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1sou h LYS 13 CO -0.03 0.83 -0.14 -0.09 -2.27 0.00 0.00 179.45 177.75 1sou h ARG 14 N 1.01 -0.38 -0.02 1.90 9.65 -0.46 -3.01 114.38 123.07 1sou h ARG 14 Ca 0.24 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 1sou h ARG 14 Cb 0.15 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 1sou h ARG 14 CO -0.03 -0.13 0.00 0.44 2.80 0.00 0.00 179.97 183.06 1sou n ILE 15 N -5.18 0.02 0.09 1.20 -5.35 0.47 -2.42 119.36 108.19 1sou n ILE 15 Ca -0.10 -0.03 -0.04 0.00 -0.27 0.00 0.00 62.75 62.31 1sou n ILE 15 Cb 0.23 -0.23 -0.03 0.00 -1.74 0.00 0.00 39.64 37.88 1sou n ILE 15 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 1sou h ASN 16 N 0.22 0.00 -3.74 7.28 -1.24 -0.90 -3.46 115.58 113.75 1sou h ASN 16 Ca 0.00 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 56.45 1sou h ASN 16 Cb 0.05 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.22 1sou h ASN 16 CO 0.00 0.81 0.59 0.18 -1.29 0.00 0.00 177.43 177.72 1sou n LEU 17 N -3.39 4.53 -4.84 0.34 4.77 -1.02 -4.98 117.00 112.41 1sou n LEU 17 Ca 0.00 1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 56.79 1sou n LEU 17 Cb 0.83 -1.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1sou n LEU 17 CO 0.44 -0.41 0.72 -0.94 -1.33 0.00 0.00 177.39 175.87 1sou s SER 18 N -0.49 5.62 0.46 -1.43 1.04 -1.26 -4.87 113.70 112.76 1sou s SER 18 Ca 0.61 1.51 0.14 0.00 0.48 0.00 0.00 55.95 58.69 1sou s SER 18 Cb -0.48 -2.43 1.03 0.00 0.10 0.00 0.00 66.02 64.24 1sou s SER 18 CO 0.58 -1.28 2.01 -0.33 0.98 0.00 0.00 173.24 175.20 1sou h GLU 19 N -0.60 0.01 -0.02 4.02 5.08 -1.98 -1.62 114.58 119.47 1sou h GLU 19 Ca -0.44 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.94 1sou h GLU 19 Cb 1.21 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1sou h GLU 19 CO 0.59 0.16 -0.16 0.93 -1.00 0.00 0.00 179.01 179.54 1sou h GLU 20 N 0.01 -0.24 0.02 2.33 3.07 -2.00 -0.67 114.58 117.10 1sou h GLU 20 Ca 0.00 0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.65 1sou h GLU 20 Cb 0.28 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 1sou h GLU 20 CO 0.02 -0.16 -1.08 1.05 -1.40 0.00 0.00 179.01 177.44 1sou h GLU 21 N -0.25 0.04 0.64 2.33 4.11 -1.88 -2.84 114.58 116.73 1sou h GLU 21 Ca 0.06 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1sou h GLU 21 Cb 0.33 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1sou h GLU 21 CO -0.17 1.01 -0.47 0.00 0.07 0.00 0.00 179.01 179.45 1sou h ARG 22 N 0.01 -1.03 -0.98 1.06 3.08 -1.16 -1.91 114.38 113.46 1sou h ARG 22 Ca -0.04 0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.14 1sou h ARG 22 Cb 1.81 0.23 -0.07 0.00 0.08 0.00 0.00 29.97 32.03 1sou h ARG 22 CO 0.14 -0.68 0.63 -0.09 -1.07 0.00 0.00 179.97 178.89 1sou h ARG 23 N -1.06 1.11 -0.33 0.04 2.43 -1.18 0.15 114.38 115.53 1sou h ARG 23 Ca -0.08 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 1sou h ARG 23 Cb 0.88 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1sou h ARG 23 CO 0.03 0.73 0.12 -0.09 -1.51 0.00 0.00 179.97 179.25 1sou h ARG 24 N 1.14 0.50 -0.18 0.20 2.43 -1.42 -0.66 114.38 116.40 1sou h ARG 24 Ca 0.42 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.40 1sou h ARG 24 Cb 0.16 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1sou h ARG 24 CO -0.17 0.52 -0.26 -0.07 -1.51 0.00 0.00 179.97 178.48 1sou h LEU 25 N 0.38 0.53 -1.54 3.80 3.38 -0.63 -3.10 115.31 118.13 1sou h LEU 25 Ca 0.11 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1sou h LEU 25 Cb 0.22 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1sou h LEU 25 CO -0.01 0.95 0.15 0.28 0.09 0.00 0.00 178.44 179.90 1sou h SER 26 N 0.14 0.41 -0.95 -0.43 0.02 -0.68 -0.20 113.55 111.85 1sou h SER 26 Ca 0.02 -0.03 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 1sou h SER 26 Cb 0.83 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 1sou h SER 26 CO 0.06 0.36 0.62 -0.08 -1.14 0.00 0.00 176.83 176.65 1sou h GLU 27 N 0.46 1.12 -0.04 3.45 4.81 -1.04 0.11 114.58 123.44 1sou h GLU 27 Ca 0.12 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1sou h GLU 27 Cb 0.06 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1sou h GLU 27 CO -0.02 0.74 -0.78 -0.22 -0.73 0.00 0.00 179.01 178.00 1sou h LYS 28 N 1.15 0.33 -0.41 1.92 3.64 -1.03 -2.22 116.57 119.94 1sou h LYS 28 Ca 0.39 -0.29 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1sou h LYS 28 Cb 0.09 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1sou h LYS 28 CO -0.14 0.96 0.05 0.28 -2.27 0.00 0.00 179.45 178.33 1sou h VAL 29 N 0.21 1.25 -0.62 2.00 2.07 -0.41 0.15 116.25 120.90 1sou h VAL 29 Ca -0.04 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1sou h VAL 29 Cb 1.37 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1sou h VAL 29 CO 0.13 0.31 0.37 0.40 0.02 0.00 0.00 177.57 178.80 1sou h ILE 30 N 0.54 1.05 -0.44 4.57 2.04 -0.76 0.14 117.51 124.65 1sou h ILE 30 Ca 0.12 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.66 1sou h ILE 30 Cb 0.40 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1sou h ILE 30 CO 0.01 0.13 -0.02 0.28 0.00 0.00 0.00 178.15 178.55 1sou h SER 31 N 0.72 0.71 -0.39 1.72 0.02 -1.11 -1.28 113.55 113.94 1sou h SER 31 Ca 0.26 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 1sou h SER 31 Cb 0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1sou h SER 31 CO -0.12 0.79 -0.15 -1.13 -1.14 0.00 0.00 176.83 175.09 1sou h ASN 32 N 0.69 0.80 -0.28 3.07 -0.73 0.06 -1.64 115.58 117.54 1sou h ASN 32 Ca 0.13 -0.39 -0.01 0.00 1.87 0.00 0.00 56.30 57.90 1sou h ASN 32 Cb 0.46 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.82 1sou h ASN 32 CO 0.02 1.01 0.13 0.25 -0.37 0.00 0.00 177.43 178.47 1sou h LEU 33 N 0.58 0.38 -2.07 0.34 5.85 -0.50 -0.89 115.31 119.01 1sou h LEU 33 Ca 0.09 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1sou h LEU 33 Cb 0.69 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1sou h LEU 33 CO 0.05 0.41 -0.02 0.11 -0.34 0.00 0.00 178.44 178.66 1sou h LYS 34 N 0.32 0.00 0.00 1.25 1.79 -1.15 -1.61 116.57 117.17 1sou h LYS 34 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1sou h LYS 34 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1sou h LYS 34 CO -0.01 0.02 -0.26 0.77 -1.08 0.00 0.00 179.45 178.88 1sou h SER 35 N 0.00 0.00 -2.43 0.86 0.02 -0.39 -3.40 113.55 108.21 1sou h SER 35 Ca -0.00 -0.03 -0.53 0.00 -0.84 0.00 0.00 61.79 60.38 1sou h SER 35 Cb 0.03 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.59 1sou h SER 35 CO 0.00 0.02 1.20 -0.76 -1.14 0.00 0.00 176.83 176.14 1sou s LEU 36 N -5.32 4.41 0.39 5.07 1.43 -0.43 -4.87 118.68 119.38 1sou s LEU 36 Ca 0.07 2.61 0.13 0.00 -1.03 0.00 0.00 54.13 55.90 1sou s LEU 36 Cb 0.09 -3.53 0.95 0.00 0.03 0.00 0.00 46.19 43.73 1sou s LEU 36 CO 0.68 -1.03 1.89 1.55 0.23 0.00 0.00 176.35 179.67 1sou h PRO 37 N 10.22 0.52 0.27 1.29 0.13 -1.87 0.22 132.00 142.79 1sou h PRO 37 Ca -0.48 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1sou h PRO 37 Cb 1.23 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1sou h PRO 37 CO 0.94 0.35 -0.13 0.93 -0.23 0.00 0.00 178.00 179.86 1sou h GLU 38 N 0.54 -0.35 -0.00 0.86 3.07 -1.93 -2.98 114.58 113.78 1sou h GLU 38 Ca 0.41 0.02 -0.14 0.00 -0.50 0.00 0.00 59.36 59.15 1sou h GLU 38 Cb 0.82 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 1sou h GLU 38 CO -0.16 -0.23 -0.67 0.35 -1.40 0.00 0.00 179.01 176.89 1sou h PHE 39 N -0.37 0.02 -0.88 4.33 3.57 -1.27 -0.99 116.94 121.35 1sou h PHE 39 Ca -0.04 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.50 1sou h PHE 39 Cb 0.28 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1sou h PHE 39 CO -0.06 0.68 0.56 -0.22 -2.23 0.00 0.00 178.31 177.05 1sou h LYS 40 N 0.01 1.03 0.00 1.11 3.64 -0.67 -2.37 116.57 119.33 1sou h LYS 40 Ca -0.01 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1sou h LYS 40 Cb 1.19 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1sou h LYS 40 CO 0.09 0.68 -0.60 0.87 -2.27 0.00 0.00 179.45 178.22 1sou h LYS 41 N 1.06 0.00 -6.25 1.90 1.79 -1.29 -3.46 116.57 110.33 1sou h LYS 41 Ca 0.37 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 58.16 1sou h LYS 41 Cb 0.08 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.75 1sou h LYS 41 CO -0.14 0.28 0.86 0.43 -1.08 0.00 0.00 179.45 179.79 1sou n SER 42 N -3.07 2.61 -0.10 0.86 7.64 -0.42 -4.85 113.62 116.30 1sou n SER 42 Ca 0.00 1.06 -0.12 0.00 1.01 0.00 0.00 58.87 60.82 1sou n SER 42 Cb 0.68 -1.25 -0.12 0.00 -1.01 0.00 0.00 64.21 62.51 1sou n SER 42 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1sou n LYS 43 N 4.94 0.90 -3.78 1.43 3.00 -1.26 -4.85 118.16 118.54 1sou n LYS 43 Ca 0.23 0.05 -0.36 0.00 -0.00 0.00 0.00 58.31 58.23 1sou n LYS 43 Cb 0.20 -1.44 -0.11 0.00 0.00 0.00 0.00 35.03 33.68 1sou n LYS 43 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1sou s LYS 44 N -2.43 2.08 -0.20 1.64 -0.14 -1.26 -2.44 119.74 116.99 1sou s LYS 44 Ca -0.18 -1.98 -0.04 0.00 -1.36 0.00 0.00 55.97 52.41 1sou s LYS 44 Cb 0.06 -3.59 -0.01 0.00 -1.68 0.00 0.00 37.83 32.61 1sou s LYS 44 CO 0.62 -1.09 -0.05 0.08 -0.76 0.00 0.00 175.35 174.15 1sou s VAL 45 N 0.87 3.46 -0.10 3.17 1.01 -0.65 -1.94 120.40 126.22 1sou s VAL 45 Ca 0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1sou s VAL 45 Cb -0.22 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1sou s VAL 45 CO -0.04 0.44 0.02 0.00 0.00 0.00 0.00 175.10 175.52 1sou s ALA 46 N 1.20 3.35 -0.09 5.51 0.00 0.46 -0.40 121.76 131.79 1sou s ALA 46 Ca 0.03 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1sou s ALA 46 Cb -0.14 -1.56 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 1sou s ALA 46 CO -0.01 0.56 -0.09 -0.51 0.00 0.00 0.00 175.76 175.71 1sou s LEU 47 N -0.80 2.99 0.00 0.00 1.43 -0.72 -0.43 118.68 121.15 1sou s LEU 47 Ca 0.12 -0.14 0.30 0.00 -1.03 0.00 0.00 54.13 53.38 1sou s LEU 47 Cb -0.12 -1.66 1.39 0.00 0.03 0.00 0.00 46.19 45.84 1sou s LEU 47 CO 0.02 0.29 1.94 0.00 0.23 0.00 0.00 176.35 178.83 1sou n TYR 48 N 2.69 0.00 -2.29 0.29 9.36 -0.71 -4.35 117.16 122.15 1sou n TYR 48 Ca -0.18 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.01 1sou n TYR 48 Cb 0.53 -0.02 -0.03 0.00 -0.63 0.00 0.00 39.34 39.19 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sou s PRO 50 N -0.82 2.51 0.39 0.00 0.04 -1.26 -4.95 135.00 130.92 1sou s PRO 50 Ca -0.19 0.53 -0.09 0.00 0.04 0.00 0.00 61.00 61.28 1sou s PRO 50 Cb 0.01 -4.55 -0.06 0.00 0.04 0.00 0.00 34.50 29.94 1sou s PRO 50 CO 0.57 -2.98 0.73 0.96 0.04 0.00 0.00 177.00 176.32 1sou s ILE 51 N 9.83 4.83 0.00 0.56 -4.36 -1.26 -3.95 121.20 126.84 1sou s ILE 51 Ca 0.72 0.52 0.00 0.00 -0.26 0.00 0.00 60.65 61.63 1sou s ILE 51 Cb -0.12 -3.73 0.00 0.00 1.25 0.00 0.00 42.46 39.86 1sou s ILE 51 CO 0.17 -0.49 0.00 1.17 0.24 0.00 0.00 174.94 176.02 1sou n LYS 52 N -1.25 0.00 0.00 0.37 3.00 -1.26 -3.85 118.16 115.16 1sou n LYS 52 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1sou n LYS 52 Cb 0.54 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 33.30 1sou n LYS 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sou n GLY 53 N -1.77 1.79 1.69 3.14 0.00 -1.25 -4.95 105.19 103.84 1sou n GLY 53 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1sou n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sou n GLU 54 N 0.00 -0.27 -2.52 1.61 -0.58 -1.25 -3.42 120.64 114.22 1sou n GLU 54 Ca 0.00 0.18 -0.02 0.00 -0.42 0.00 0.00 57.16 56.90 1sou n GLU 54 Cb 0.00 -0.30 -0.02 0.00 -0.57 0.00 0.00 31.44 30.55 1sou n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1sou n VAL 55 N -0.22-11.29 -1.75 2.62 0.31 -1.26 -4.73 118.33 102.01 1sou n VAL 55 Ca -0.02 2.03 -0.18 0.00 -0.01 0.00 0.00 64.34 66.15 1sou n VAL 55 Cb 0.10 -6.41 -0.07 0.00 -0.91 0.00 0.00 33.84 26.55 1sou n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1sou s ASP 56 N -1.04 4.29 0.00 4.52 1.11 -1.22 -4.68 116.67 119.65 1sou s ASP 56 Ca -0.12 -0.38 0.23 0.00 0.18 0.00 0.00 52.55 52.46 1sou s ASP 56 Cb 0.01 -2.56 0.63 0.00 1.07 0.00 0.00 42.92 42.07 1sou s ASP 56 CO 0.70 -3.58 1.53 0.18 1.18 0.00 0.00 175.17 175.18 1sou n LEU 57 N 17.10 3.93 -0.19 1.23 4.77 -1.26 -4.49 117.00 138.08 1sou n LEU 57 Ca 0.44 -1.95 -0.07 0.00 -0.03 0.00 0.00 56.01 54.41 1sou n LEU 57 Cb 0.45 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1sou n LEU 57 CO 0.57 0.97 1.10 0.71 -1.33 0.00 0.00 177.39 179.41 1sou h THR 58 N 4.34 1.14 0.00 -5.08 1.35 -1.92 -1.00 112.91 111.75 1sou h THR 58 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1sou h THR 58 Cb 0.99 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1sou h THR 58 CO 0.00 0.14 0.00 -0.81 -0.25 0.00 0.00 175.52 174.60 1sou n PRO 59 N -4.70 0.22 0.11 4.72 -0.04 -1.26 -2.37 135.00 131.67 1sou n PRO 59 Ca 0.03 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.75 1sou n PRO 59 Cb 0.02 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.07 1sou n PRO 59 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1sou h LEU 60 N 0.00 0.00 0.07 1.53 5.85 -1.48 -3.38 115.31 117.91 1sou h LEU 60 Ca 0.00 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.68 1sou h LEU 60 Cb 0.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1sou h LEU 60 CO 0.00 0.03 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.58 1sou h PHE 61 N 0.00 -0.79 -0.54 1.25 -1.00 -1.38 0.12 116.94 114.60 1sou h PHE 61 Ca 0.00 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.83 1sou h PHE 61 Cb 0.92 0.34 -0.03 0.00 3.61 0.00 0.00 35.95 40.79 1sou h PHE 61 CO 0.00 -0.39 0.36 -1.35 -1.61 0.00 0.00 178.31 175.32 1sou h PRO 62 N -0.48 0.59 -0.30 1.51 0.11 -1.80 -0.96 132.00 130.68 1sou h PRO 62 Ca 0.04 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1sou h PRO 62 Cb 0.53 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1sou h PRO 62 CO -0.20 0.39 0.06 1.49 -0.21 0.00 0.00 178.00 179.53 1sou h GLU 63 N 0.61 0.49 -0.47 1.05 4.57 -1.50 -2.12 114.58 117.21 1sou h GLU 63 Ca 0.22 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 1sou h GLU 63 Cb 0.11 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1sou h GLU 63 CO -0.06 0.58 -0.06 0.28 -1.18 0.00 0.00 179.01 178.57 1sou h VAL 64 N 0.32 1.27 0.00 0.32 2.07 -0.34 -2.67 116.25 117.22 1sou h VAL 64 Ca 0.09 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1sou h VAL 64 Cb 0.32 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1sou h VAL 64 CO 0.00 0.40 -0.03 -0.07 0.02 0.00 0.00 177.57 177.89 1sou h LEU 65 N 0.71 0.00 0.17 2.57 3.38 -1.08 0.13 115.31 121.19 1sou h LEU 65 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1sou h LEU 65 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1sou h LEU 65 CO 0.04 0.03 -0.08 0.50 0.09 0.00 0.00 178.44 179.02 1sou h LYS 66 N 0.00 -0.22 0.00 1.13 3.64 -1.05 -3.40 116.57 116.67 1sou h LYS 66 Ca -0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1sou h LYS 66 Cb 0.07 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1sou h LYS 66 CO 0.00 0.17 -0.14 0.93 -2.27 0.00 0.00 179.45 178.14 1sou h GLU 67 N -0.93 0.00 0.00 1.90 5.08 -1.32 -3.49 114.58 115.82 1sou h GLU 67 Ca -0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1sou h GLU 67 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1sou h GLU 67 CO 0.04 0.83 -0.09 1.63 -1.00 0.00 0.00 179.01 180.42 1sou n LYS 68 N -4.62 1.71 -4.05 2.33 5.02 0.45 -5.11 118.16 113.89 1sou n LYS 68 Ca -0.11 -0.73 -0.34 0.00 -2.02 0.00 0.00 58.31 55.10 1sou n LYS 68 Cb 0.42 0.18 -0.10 0.00 -0.02 0.00 0.00 35.03 35.52 1sou n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sou s GLU 69 N -2.38 3.90 -0.26 1.97 2.02 -1.02 -4.31 118.70 118.63 1sou s GLU 69 Ca 0.01 -0.35 -0.09 0.00 0.02 0.00 0.00 54.97 54.55 1sou s GLU 69 Cb -0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1sou s GLU 69 CO 0.00 0.31 0.14 -1.17 0.02 0.00 0.00 175.26 174.56 1sou s LEU 70 N 0.26 3.82 -0.29 1.80 2.96 -0.83 -1.63 118.68 124.77 1sou s LEU 70 Ca 0.03 -0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 1sou s LEU 70 Cb -0.12 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 1sou s LEU 70 CO 0.00 -0.02 0.24 -0.63 -1.32 0.00 0.00 176.35 174.63 1sou s ILE 71 N 1.54 5.27 -0.00 6.68 1.09 0.46 -0.39 121.20 135.85 1sou s ILE 71 Ca 0.07 0.15 0.06 0.00 -1.10 0.00 0.00 60.65 59.83 1sou s ILE 71 Cb -0.15 -3.61 -0.03 0.00 -1.06 0.00 0.00 42.46 37.61 1sou s ILE 71 CO 0.07 0.17 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.14 1sou s LEU 72 N 1.82 2.61 0.06 2.97 1.43 -0.15 -1.75 118.68 125.66 1sou s LEU 72 Ca 0.08 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 52.55 1sou s LEU 72 Cb -0.16 -1.52 -0.06 0.00 0.03 0.00 0.00 46.19 44.47 1sou s LEU 72 CO 0.11 0.30 1.31 -2.16 0.23 0.00 0.00 176.35 176.14 1sou s PRO 73 N -1.06 4.36 -0.20 1.29 0.04 -1.26 -0.59 135.00 137.58 1sou s PRO 73 Ca 0.13 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1sou s PRO 73 Cb -0.10 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1sou s PRO 73 CO 0.03 -0.39 -0.17 0.21 0.04 0.00 0.00 177.00 176.71 1sou s LYS 74 N 1.39 2.82 -0.51 4.56 2.47 0.47 -4.75 119.74 126.20 1sou s LYS 74 Ca 0.62 -0.95 -0.20 0.00 -1.56 0.00 0.00 55.97 53.87 1sou s LYS 74 Cb -0.32 -2.67 0.05 0.00 -1.46 0.00 0.00 37.83 33.43 1sou s LYS 74 CO 0.29 -0.30 0.70 0.08 0.16 0.00 0.00 175.35 176.28 1sou s VAL 75 N 1.25 4.76 -0.49 4.02 1.01 -1.26 -1.07 120.40 128.62 1sou s VAL 75 Ca 0.02 -0.23 0.08 0.00 0.00 0.00 0.00 61.98 61.84 1sou s VAL 75 Cb -0.15 -4.34 0.50 0.00 0.00 0.00 0.00 36.38 32.39 1sou s VAL 75 CO -0.11 -0.85 1.33 -0.62 0.00 0.00 0.00 175.10 174.86 1sou n GLU 76 N 6.48 3.17 0.00 2.72 1.02 0.20 -4.81 120.64 129.42 1sou n GLU 76 Ca -0.04 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.14 1sou n GLU 76 Cb 0.46 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 1sou n GLU 76 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sou n GLY 77 N 0.24 0.69 5.00 0.62 0.00 -1.26 -4.71 105.19 105.76 1sou n GLY 77 Ca 0.21 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1sou n GLY 77 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sou n ASN 78 N 0.00 0.00 -4.65 1.61 5.03 -1.26 -4.86 115.26 111.13 1sou n ASN 78 Ca 0.00 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.01 1sou n ASN 78 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 1sou n ASN 78 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1sou n GLU 79 N 0.00 2.49 -4.61 3.52 -0.58 -1.26 -4.78 120.64 115.42 1sou n GLU 79 Ca 0.00 0.88 -0.34 0.00 -0.42 0.00 0.00 57.16 57.29 1sou n GLU 79 Cb 0.00 -2.92 -0.12 0.00 -0.57 0.00 0.00 31.44 27.83 1sou n GLU 79 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1sou s ILE 80 N 5.01 3.63 0.38 -3.67 2.07 -1.26 -0.63 121.20 126.74 1sou s ILE 80 Ca 0.93 -0.49 0.04 0.00 -1.41 0.00 0.00 60.65 59.72 1sou s ILE 80 Cb -0.51 -2.51 -0.03 0.00 0.13 0.00 0.00 42.46 39.54 1sou s ILE 80 CO 0.44 0.57 0.13 -0.55 -1.91 0.00 0.00 174.94 173.62 1sou s SER 81 N -0.43 2.56 -0.16 4.50 0.15 -0.23 -4.97 113.70 115.11 1sou s SER 81 Ca 0.06 -1.63 0.01 0.00 0.70 0.00 0.00 55.95 55.09 1sou s SER 81 Cb -0.12 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1sou s SER 81 CO 0.02 -0.90 -0.20 -0.76 1.20 0.00 0.00 173.24 172.60 1sou s LEU 82 N -3.56 2.17 -0.17 3.45 1.43 -1.26 -0.39 118.68 120.36 1sou s LEU 82 Ca 0.27 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1sou s LEU 82 Cb 0.03 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1sou s LEU 82 CO 0.15 0.04 -0.06 -0.31 0.23 0.00 0.00 176.35 176.40 1sou s TYR 83 N 1.06 2.96 -0.26 0.29 1.51 0.24 -0.37 117.35 122.78 1sou s TYR 83 Ca -0.01 -0.54 -0.23 0.00 -1.01 0.00 0.00 57.07 55.28 1sou s TYR 83 Cb -0.14 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 1sou s TYR 83 CO -0.07 -0.21 0.76 0.50 -1.11 0.00 0.00 175.55 175.42 1sou s ARG 84 N 0.66 4.12 0.06 -0.62 3.52 -0.32 -0.98 118.95 125.40 1sou s ARG 84 Ca -0.03 0.76 0.09 0.00 -0.13 0.00 0.00 55.73 56.41 1sou s ARG 84 Cb -0.15 -3.66 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 1sou s ARG 84 CO 0.02 -0.51 -0.24 0.14 -0.81 0.00 0.00 175.30 173.91 1sou s VAL 85 N 2.75 2.38 -0.01 7.11 -7.23 0.47 -2.62 120.40 123.26 1sou s VAL 85 Ca 0.32 -1.37 0.08 0.00 -1.81 0.00 0.00 61.98 59.19 1sou s VAL 85 Cb -0.15 -1.97 0.13 0.00 0.56 0.00 0.00 36.38 34.95 1sou s VAL 85 CO 0.08 0.32 1.05 1.57 -0.31 0.00 0.00 175.10 177.82 1sou n HIS 86 N 1.57 0.00 -3.70 2.82 -0.00 -1.26 -1.96 115.22 112.69 1sou n HIS 86 Ca -0.17 -0.18 -0.18 0.00 -0.00 0.00 0.00 57.72 57.19 1sou n HIS 86 Cb 0.52 -0.08 -0.17 0.00 -0.00 0.00 0.00 29.99 30.26 1sou n HIS 86 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1sou s SER 87 N -1.35 0.72 0.49 0.26 0.15 -1.26 -4.94 113.70 107.77 1sou s SER 87 Ca 0.11 0.15 0.13 0.00 0.70 0.00 0.00 55.95 57.04 1sou s SER 87 Cb 0.12 -0.00 1.15 0.00 -1.71 0.00 0.00 66.02 65.58 1sou s SER 87 CO -0.05 -0.22 2.12 -0.65 1.20 0.00 0.00 173.24 175.65 1sou h PRO 88 N 8.08 0.16 -0.33 5.44 0.11 -1.96 -2.28 132.00 141.21 1sou h PRO 88 Ca -0.22 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1sou h PRO 88 Cb 1.12 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1sou h PRO 88 CO 0.24 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 178.14 1sou n ALA 89 N -2.52 2.38 0.23 -0.75 0.00 -1.26 -2.60 120.51 115.99 1sou n ALA 89 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1sou n ALA 89 Cb 0.09 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 18.64 1sou n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sou s LEU 91 N -1.05 4.41 0.15 0.00 1.43 -1.07 -0.34 118.68 122.21 1sou s LEU 91 Ca 0.20 0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 54.04 1sou s LEU 91 Cb 0.12 -2.65 0.06 0.00 0.03 0.00 0.00 46.19 43.75 1sou s LEU 91 CO 0.17 0.21 0.53 -0.83 0.23 0.00 0.00 176.35 176.67 1sou s GLY 92 N -0.51 -0.51 -0.31 -3.19 0.00 0.31 -4.86 107.32 98.25 1sou s GLY 92 Ca 0.25 0.32 -0.08 0.00 0.00 0.00 0.00 44.72 45.21 1sou s GLY 92 CO 0.13 0.01 0.11 0.14 0.00 0.00 0.00 173.10 173.49 1sou s VAL 93 N -3.75 4.12 -0.01 1.40 1.01 -1.26 0.27 120.40 122.18 1sou s VAL 93 Ca 0.02 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1sou s VAL 93 Cb -0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 1sou s VAL 93 CO -0.13 0.02 -0.12 0.61 0.00 0.00 0.00 175.10 175.48 1sou n GLY 94 N 4.89 -0.20 3.40 4.51 0.00 -1.26 -5.01 105.19 111.52 1sou n GLY 94 Ca -0.14 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou s ALA 95 N -2.28 2.41 0.00 4.61 0.00 -1.26 -4.83 121.76 120.41 1sou s ALA 95 Ca -0.11 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1sou s ALA 95 Cb 0.02 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.47 1sou s ALA 95 CO 0.15 0.55 0.00 0.34 0.00 0.00 0.00 175.76 176.80 1sou n PHE 96 N 1.99 0.00 0.00 0.00 7.35 -1.26 -3.37 117.46 122.17 1sou n PHE 96 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 1sou n PHE 96 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1sou n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1sou n GLY 97 N 0.00 0.42 3.55 7.13 0.00 -1.26 -5.17 105.19 109.86 1sou n GLY 97 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1sou n GLY 97 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1sou s ILE 98 N -0.47 1.77 -0.62 -0.61 -4.36 -1.22 -5.09 121.20 110.60 1sou s ILE 98 Ca 0.00 -2.03 -0.21 0.00 -0.26 0.00 0.00 60.65 58.15 1sou s ILE 98 Cb 0.00 -2.85 0.09 0.00 1.25 0.00 0.00 42.46 40.95 1sou s ILE 98 CO 0.00 -0.05 0.82 -0.04 0.24 0.00 0.00 174.94 175.91 1sou s MET 99 N -3.75 3.07 0.29 0.37 -1.94 -1.26 -4.11 119.30 111.97 1sou s MET 99 Ca 0.35 -1.10 -0.01 0.00 -1.71 0.00 0.00 55.69 53.21 1sou s MET 99 Cb 0.08 -4.25 -0.04 0.00 2.01 0.00 0.00 34.83 32.63 1sou s MET 99 CO 0.17 -1.67 0.50 -1.21 -0.01 0.00 0.00 175.02 172.80 1sou s GLU 100 N 3.30 3.53 -0.29 2.03 2.02 0.14 -4.82 118.70 124.61 1sou s GLU 100 Ca 0.16 -0.27 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 1sou s GLU 100 Cb -0.21 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.31 1sou s GLU 100 CO 0.08 0.24 1.28 -1.25 0.02 0.00 0.00 175.26 175.63 1sou s PRO 101 N -3.87 3.96 0.03 0.39 0.04 -1.26 -0.53 135.00 133.76 1sou s PRO 101 Ca 0.40 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.51 1sou s PRO 101 Cb -0.10 -3.86 -0.16 0.00 0.04 0.00 0.00 34.50 30.43 1sou s PRO 101 CO 0.33 -1.07 1.30 0.28 0.04 0.00 0.00 177.00 177.88 1sou h VAL 102 N 5.90 1.37 -1.57 -0.36 2.07 -1.00 -3.48 116.25 119.18 1sou h VAL 102 Ca -0.26 -1.47 0.00 0.00 0.82 0.00 0.00 66.70 65.79 1sou h VAL 102 Cb 1.09 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1sou h VAL 102 CO 1.03 0.43 0.00 -0.62 0.02 0.00 0.00 177.57 178.43 1sou n GLU 103 N -4.48 2.04 0.00 1.57 -0.58 -1.26 -5.11 120.64 112.82 1sou n GLU 103 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 1sou n GLU 103 Cb 0.42 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.29 1sou n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sou n GLY 104 N 2.54 0.47 2.98 0.62 0.00 -1.26 -4.89 105.19 105.66 1sou n GLY 104 Ca 0.00 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 1sou n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sou s GLU 105 N 0.00 1.86 0.45 1.61 2.02 -1.08 -4.96 118.70 118.61 1sou s GLU 105 Ca 0.00 -1.04 -0.22 0.00 0.02 0.00 0.00 54.97 53.73 1sou s GLU 105 Cb 0.00 -2.62 -0.08 0.00 0.10 0.00 0.00 34.13 31.53 1sou s GLU 105 CO 0.00 -0.55 1.06 -0.98 0.02 0.00 0.00 175.26 174.81 1sou s ARG 106 N 1.33 3.91 -0.02 1.61 1.70 -1.26 -1.17 118.95 125.05 1sou s ARG 106 Ca -0.05 1.47 0.02 0.00 -0.47 0.00 0.00 55.73 56.70 1sou s ARG 106 Cb -0.18 -2.29 0.00 0.00 -0.57 0.00 0.00 34.95 31.91 1sou s ARG 106 CO -0.06 -0.35 -0.09 0.08 -1.08 0.00 0.00 175.30 173.79 1sou s VAL 107 N -1.80 0.77 0.38 4.99 1.01 0.51 -4.82 120.40 121.43 1sou s VAL 107 Ca 0.64 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 1sou s VAL 107 Cb -0.20 -0.69 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 1sou s VAL 107 CO 0.25 0.24 1.20 0.21 0.00 0.00 0.00 175.10 177.00 1sou s ASN 108 N 0.16 6.61 0.56 3.32 3.84 -1.26 -4.01 114.94 124.16 1sou s ASN 108 Ca -0.03 2.43 0.26 0.00 0.21 0.00 0.00 52.86 55.74 1sou s ASN 108 Cb -0.08 -2.62 1.42 0.00 -0.55 0.00 0.00 41.25 39.41 1sou s ASN 108 CO 0.00 -0.62 1.77 1.55 -2.79 0.00 0.00 177.10 177.01 1sou h PRO 109 N 2.88 0.00 -0.08 0.43 0.13 -1.93 0.90 132.00 134.33 1sou h PRO 109 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1sou h PRO 109 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1sou h PRO 109 CO 0.63 0.00 -0.17 1.49 -0.23 0.00 0.00 178.00 179.72 1sou h GLU 110 N 0.00 0.13 -0.25 0.86 4.81 -1.90 -2.62 114.58 115.60 1sou h GLU 110 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1sou h GLU 110 Cb 0.58 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1sou h GLU 110 CO 0.00 0.30 0.00 -3.47 -0.73 0.00 0.00 179.01 175.11 1sou n ASP 111 N -4.28 2.43 -4.65 1.04 2.03 0.31 -4.78 116.55 108.65 1sou n ASP 111 Ca -0.01 -1.84 -0.42 0.00 0.52 0.00 0.00 54.79 53.03 1sou n ASP 111 Cb 0.27 -0.16 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 1sou n ASP 111 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1sou s VAL 112 N -1.68 4.77 -0.23 5.18 1.01 -0.99 -4.92 120.40 123.54 1sou s VAL 112 Ca 0.34 1.78 -0.12 0.00 0.00 0.00 0.00 61.98 63.98 1sou s VAL 112 Cb 0.20 -4.20 -0.18 0.00 0.00 0.00 0.00 36.38 32.20 1sou s VAL 112 CO 0.28 -0.11 -0.04 -0.67 0.00 0.00 0.00 175.10 174.57 1sou n ASP 113 N 6.07 1.96 -4.10 3.32 2.03 -1.25 -3.47 116.55 121.11 1sou n ASP 113 Ca 0.08 0.26 -0.28 0.00 0.52 0.00 0.00 54.79 55.37 1sou n ASP 113 Cb 0.47 -0.80 -0.17 0.00 -0.72 0.00 0.00 41.12 39.90 1sou n ASP 113 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1sou s PHE 114 N -2.48 1.91 -0.01 -0.67 2.19 -0.82 -0.38 117.98 117.73 1sou s PHE 114 Ca -0.32 -0.75 0.01 0.00 0.33 0.00 0.00 56.93 56.20 1sou s PHE 114 Cb 0.10 -1.33 -0.00 0.00 -1.31 0.00 0.00 43.02 40.47 1sou s PHE 114 CO 0.59 -0.34 -0.04 -1.50 1.83 0.00 0.00 175.22 175.76 1sou s ILE 115 N 0.54 0.34 -0.29 3.12 2.07 -0.82 -0.41 121.20 125.75 1sou s ILE 115 Ca -0.16 -0.17 -0.05 0.00 -1.41 0.00 0.00 60.65 58.86 1sou s ILE 115 Cb -0.17 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.14 1sou s ILE 115 CO 0.06 0.10 0.04 0.00 -1.91 0.00 0.00 174.94 173.24 1sou s ALA 116 N -0.02 2.95 -0.24 1.50 0.00 0.42 -0.95 121.76 125.43 1sou s ALA 116 Ca 0.01 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.43 1sou s ALA 116 Cb -0.03 -2.04 0.04 0.00 0.00 0.00 0.00 23.12 21.09 1sou s ALA 116 CO -0.00 -1.01 -0.11 0.08 0.00 0.00 0.00 175.76 174.71 1sou s VAL 117 N 1.41 2.35 -0.16 0.00 1.01 0.43 -1.74 120.40 123.72 1sou s VAL 117 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 61.98 60.39 1sou s VAL 117 Cb -0.18 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1sou s VAL 117 CO 0.01 0.16 1.44 -2.84 0.00 0.00 0.00 175.10 173.87 1sou s PRO 118 N 1.21 4.11 0.01 2.72 0.02 -1.26 -1.16 135.00 140.66 1sou s PRO 118 Ca -0.03 1.77 0.08 0.00 0.02 0.00 0.00 61.00 62.84 1sou s PRO 118 Cb -0.17 -3.89 -0.02 0.00 0.02 0.00 0.00 34.50 30.44 1sou s PRO 118 CO -0.07 -0.89 -0.25 0.20 -0.33 0.00 0.00 177.00 175.67 1sou s GLY 119 N 2.83 1.27 -0.55 0.52 0.00 -1.24 -4.96 107.32 105.18 1sou s GLY 119 Ca 0.63 -1.14 -0.25 0.00 0.00 0.00 0.00 44.72 43.96 1sou s GLY 119 CO 0.22 -0.99 1.01 0.14 0.00 0.00 0.00 173.10 173.48 1sou s VAL 120 N -0.69 4.29 0.10 1.40 1.01 -1.26 -4.76 120.40 120.50 1sou s VAL 120 Ca 0.10 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1sou s VAL 120 Cb -0.10 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1sou s VAL 120 CO 0.01 -1.17 0.00 0.00 0.00 0.00 0.00 175.10 173.94 1sou n ALA 121 N 7.72 -2.58 -2.40 5.51 0.00 -1.25 -3.34 120.51 124.17 1sou n ALA 121 Ca 0.04 0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.48 1sou n ALA 121 Cb 0.48 -0.92 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 1sou n ALA 121 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1sou s PHE 122 N -0.39 1.93 0.33 0.00 0.08 -0.99 -2.03 117.98 116.90 1sou s PHE 122 Ca 0.00 -0.56 0.03 0.00 0.12 0.00 0.00 56.93 56.51 1sou s PHE 122 Cb 0.00 -0.96 0.03 0.00 -0.57 0.00 0.00 43.02 41.52 1sou s PHE 122 CO 0.00 0.41 0.21 -0.40 -0.10 0.00 0.00 175.22 175.35 1sou n ASP 123 N -0.51 2.16 0.18 1.36 5.75 -0.92 -0.38 116.55 124.20 1sou n ASP 123 Ca -0.06 -2.17 0.03 0.00 -0.01 0.00 0.00 54.79 52.57 1sou n ASP 123 Cb 0.61 0.01 0.34 0.00 -1.03 0.00 0.00 41.12 41.05 1sou n ASP 123 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1sou h LEU 124 N 0.00 0.00 0.19 -2.12 3.38 -1.29 -3.20 115.31 112.27 1sou h LEU 124 Ca -0.22 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.41 1sou h LEU 124 Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1sou h LEU 124 CO 0.34 0.40 -1.68 -0.33 0.09 0.00 0.00 178.44 177.26 1sou h GLU 125 N 0.00 0.39 0.00 1.13 5.08 -1.92 -3.49 114.58 115.78 1sou h GLU 125 Ca -0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 1sou h GLU 125 Cb 0.73 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1sou h GLU 125 CO 0.05 1.30 0.00 0.41 -1.00 0.00 0.00 179.01 179.78 1sou n GLY 126 N 1.81 0.69 3.95 -3.84 0.00 -1.21 -4.82 105.19 101.78 1sou n GLY 126 Ca -0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1sou n GLY 126 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sou s TYR 127 N -0.75 3.47 0.20 1.61 1.51 -1.26 -0.90 117.35 121.23 1sou s TYR 127 Ca 0.00 0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 1sou s TYR 127 Cb 0.00 -1.63 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 1sou s TYR 127 CO 0.00 0.48 0.33 -0.98 -1.11 0.00 0.00 175.55 174.28 1sou s ARG 128 N -3.52 3.45 0.07 -0.62 1.70 -1.26 -2.16 118.95 116.59 1sou s ARG 128 Ca 0.34 -0.65 -0.08 0.00 -0.47 0.00 0.00 55.73 54.88 1sou s ARG 128 Cb -0.10 -2.91 -0.30 0.00 -0.57 0.00 0.00 34.95 31.07 1sou s ARG 128 CO 0.29 0.46 1.11 1.25 -1.08 0.00 0.00 175.30 177.33 1sou h LEU 129 N 1.63 0.56 0.00 -1.89 5.85 -1.41 -3.47 115.31 116.59 1sou h LEU 129 Ca -0.50 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 57.63 1sou h LEU 129 Cb 1.21 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1sou h LEU 129 CO 0.65 1.45 0.00 0.61 -0.34 0.00 0.00 178.44 180.81 1sou n GLY 130 N 1.55 2.40 0.28 3.75 0.00 -1.26 -4.92 105.19 106.99 1sou n GLY 130 Ca -0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1sou n GLY 130 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1sou n PHE 131 N 1.84 0.00 0.00 1.61 -1.74 -1.26 -4.88 117.46 113.04 1sou n PHE 131 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1sou n PHE 131 Cb 0.00 0.05 0.00 0.00 1.52 0.00 0.00 39.48 41.05 1sou n PHE 131 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1sou n GLY 132 N 0.00 3.47 3.13 4.97 0.00 -1.26 -5.16 105.19 110.34 1sou n GLY 132 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1sou n GLY 132 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sou s LYS 133 N -2.09 0.46 0.00 1.61 2.20 -1.26 -4.88 119.74 115.78 1sou s LYS 133 Ca 0.00 -0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1sou s LYS 133 Cb 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.52 1sou s LYS 133 CO 0.00 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 1sou n GLY 134 N 1.83 -0.67 0.19 5.54 0.00 -1.26 -4.90 105.19 105.92 1sou n GLY 134 Ca -0.20 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.53 1sou n GLY 134 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1sou h TYR 135 N 0.00 0.00 -0.05 1.61 -1.99 -2.00 -2.42 116.97 112.12 1sou h TYR 135 Ca 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1sou h TYR 135 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 1sou h TYR 135 CO 0.00 0.38 -0.45 1.88 -0.00 0.00 0.00 178.16 179.97 1sou h TYR 136 N 0.00 0.12 0.13 4.88 0.05 -1.91 -0.73 116.97 119.51 1sou h TYR 136 Ca -0.00 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 1sou h TYR 136 Cb 0.94 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.65 1sou h TYR 136 CO 0.00 0.54 -0.06 0.22 -1.05 0.00 0.00 178.16 177.81 1sou h ASP 137 N 0.09 -0.15 -0.81 3.88 1.82 -1.79 -2.58 116.42 116.88 1sou h ASP 137 Ca 0.00 -0.28 0.06 0.00 -0.39 0.00 0.00 57.03 56.43 1sou h ASP 137 Cb 0.84 0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.83 1sou h ASP 137 CO 0.06 0.21 0.53 -0.09 -1.61 0.00 0.00 179.24 178.35 1sou h ARG 138 N -0.52 0.88 -0.24 0.28 2.43 -1.34 -2.35 114.38 113.52 1sou h ARG 138 Ca -0.02 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1sou h ARG 138 Cb 0.42 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1sou h ARG 138 CO 0.03 0.58 0.10 1.25 -1.51 0.00 0.00 179.97 180.42 1sou h LEU 139 N 0.91 0.13 -1.28 3.80 5.85 -1.00 -2.13 115.31 121.59 1sou h LEU 139 Ca 0.35 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.11 1sou h LEU 139 Cb 0.20 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1sou h LEU 139 CO -0.12 0.11 0.50 -0.07 -0.34 0.00 0.00 178.44 178.52 1sou h LEU 140 N 0.22 0.81 -0.95 2.25 3.38 -1.01 -0.97 115.31 119.04 1sou h LEU 140 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1sou h LEU 140 Cb 0.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1sou h LEU 140 CO -0.09 0.57 0.00 1.17 0.09 0.00 0.00 178.44 180.18 1sou n LYS 141 N -4.44 1.65 -0.05 1.13 4.81 -1.07 -3.40 118.16 116.79 1sou n LYS 141 Ca 0.09 -0.95 -0.07 0.00 -0.87 0.00 0.00 58.31 56.51 1sou n LYS 141 Cb 0.09 -1.47 -0.14 0.00 0.02 0.00 0.00 35.03 33.53 1sou n LYS 141 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1sou n ARG 142 N 0.15 0.66 -1.84 1.64 3.00 -0.42 -4.85 116.66 115.00 1sou n ARG 142 Ca 0.19 0.12 -0.42 0.00 -0.00 0.00 0.00 57.85 57.74 1sou n ARG 142 Cb 0.35 -1.65 -0.03 0.00 0.00 0.00 0.00 32.46 31.12 1sou n ARG 142 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1sou s VAL 143 N -2.63 3.27 -2.02 5.15 1.01 -0.88 -4.66 120.40 119.64 1sou s VAL 143 Ca -0.07 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.24 1sou s VAL 143 Cb 0.07 -3.42 0.22 0.00 0.00 0.00 0.00 36.38 33.26 1sou s VAL 143 CO 0.83 -0.30 1.21 2.29 0.00 0.00 0.00 175.10 179.13 1sou n LYS 144 N 8.69 1.48 0.00 2.72 2.85 -1.26 -4.83 118.16 127.81 1sou n LYS 144 Ca 0.26 -0.75 0.00 0.00 -1.05 0.00 0.00 58.31 56.78 1sou n LYS 144 Cb 0.48 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.67 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1sou n GLY 145 N 0.85 1.04 3.53 2.58 0.00 -1.23 -5.03 105.19 106.94 1sou n GLY 145 Ca 0.08 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1sou n GLY 145 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sou s LEU 146 N 0.00 4.49 -0.48 0.99 2.96 0.49 -5.01 118.68 122.11 1sou s LEU 146 Ca 0.00 -0.24 -0.22 0.00 -0.22 0.00 0.00 54.13 53.45 1sou s LEU 146 Cb 0.00 -2.62 0.03 0.00 0.50 0.00 0.00 46.19 44.10 1sou s LEU 146 CO 0.00 -0.62 0.74 -0.54 -1.32 0.00 0.00 176.35 174.61 1sou s LYS 147 N 2.54 3.29 -0.40 1.98 3.01 -1.26 -1.95 119.74 126.95 1sou s LYS 147 Ca 0.19 -0.37 -0.16 0.00 -1.01 0.00 0.00 55.97 54.62 1sou s LYS 147 Cb -0.15 -4.00 0.01 0.00 -1.01 0.00 0.00 37.83 32.69 1sou s LYS 147 CO 0.16 -1.17 0.37 0.08 0.51 0.00 0.00 175.35 175.30 1sou s VAL 148 N 3.14 5.16 -0.41 3.17 1.01 -0.13 -1.26 120.40 131.08 1sou s VAL 148 Ca 0.25 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1sou s VAL 148 Cb -0.14 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.31 1sou s VAL 148 CO 0.19 -0.31 1.14 -0.83 0.00 0.00 0.00 175.10 175.29 1sou s GLY 149 N 1.76 1.38 -0.29 4.51 0.00 0.49 -0.43 107.32 114.74 1sou s GLY 149 Ca 0.10 -0.27 -0.09 0.00 0.00 0.00 0.00 44.72 44.46 1sou s GLY 149 CO 0.12 2.39 0.12 0.14 0.00 0.00 0.00 173.10 175.87 1sou s VAL 150 N 4.21 4.43 0.28 1.40 1.01 -0.30 -0.98 120.40 130.45 1sou s VAL 150 Ca 0.48 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1sou s VAL 150 Cb -0.10 -3.21 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1sou s VAL 150 CO 0.25 0.14 0.52 0.00 0.00 0.00 0.00 175.10 176.02 1sou n ALA 151 N 4.95 -1.00 -2.57 5.51 0.00 -0.74 -3.73 120.51 122.92 1sou n ALA 151 Ca -0.15 -1.02 -0.24 0.00 0.00 0.00 0.00 53.44 52.04 1sou n ALA 151 Cb 0.50 0.81 -0.01 0.00 0.00 0.00 0.00 19.45 20.75 1sou n ALA 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1sou s TYR 152 N -3.82 3.44 0.22 0.00 1.51 -1.26 -3.25 117.35 114.19 1sou s TYR 152 Ca 0.15 0.33 0.12 0.00 -1.01 0.00 0.00 57.07 56.66 1sou s TYR 152 Cb -0.03 -2.00 0.36 0.00 -0.11 0.00 0.00 41.96 40.18 1sou s TYR 152 CO 0.11 0.01 1.60 1.03 -1.11 0.00 0.00 175.55 177.18 1sou h SER 153 N 0.66 0.00 1.27 2.29 0.87 -1.94 -2.42 113.55 114.28 1sou h SER 153 Ca -0.49 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 1sou h SER 153 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1sou h SER 153 CO 0.60 0.60 0.00 2.19 -0.53 0.00 0.00 176.83 179.69 1sou h PHE 154 N 0.00 0.00 -0.43 2.24 -5.15 -2.04 -2.57 116.94 108.99 1sou h PHE 154 Ca -0.01 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.76 1sou h PHE 154 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.30 1sou h PHE 154 CO 0.00 0.00 0.00 0.94 -2.00 0.00 0.00 178.31 177.25 1sou n GLN 155 N -2.50 2.23 -3.81 6.09 7.27 -0.92 -4.76 117.38 120.98 1sou n GLN 155 Ca 0.04 -1.89 -0.36 0.00 0.07 0.00 0.00 57.00 54.85 1sou n GLN 155 Cb 0.37 -1.45 -0.12 0.00 2.41 0.00 0.00 30.24 31.45 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1sou s VAL 156 N -1.43 4.56 0.57 1.69 1.01 -0.97 -2.36 120.40 123.47 1sou s VAL 156 Ca 0.37 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.32 1sou s VAL 156 Cb 0.20 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.52 1sou s VAL 156 CO 0.27 0.36 0.51 -0.36 0.00 0.00 0.00 175.10 175.88 1sou s PHE 157 N 1.33 1.45 -0.15 5.22 0.40 0.49 -4.95 117.98 121.77 1sou s PHE 157 Ca 0.05 -0.84 -0.13 0.00 -0.60 0.00 0.00 56.93 55.41 1sou s PHE 157 Cb -0.15 -1.97 -0.09 0.00 0.51 0.00 0.00 43.02 41.32 1sou s PHE 157 CO 0.04 -0.70 0.04 0.93 0.70 0.00 0.00 175.22 176.23 1sou h GLU 158 N 0.56 0.00 -3.21 0.44 5.08 -1.92 -3.11 114.58 112.42 1sou h GLU 158 Ca -0.34 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.49 1sou h GLU 158 Cb 1.30 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.15 1sou h GLU 158 CO 0.53 0.36 -0.77 -0.98 -1.00 0.00 0.00 179.01 177.15 1sou s ARG 159 N -2.16 0.42 0.31 2.33 1.70 -1.26 -1.84 118.95 118.45 1sou s ARG 159 Ca -0.17 -0.56 -0.00 0.00 -0.47 0.00 0.00 55.73 54.53 1sou s ARG 159 Cb 0.02 -1.72 -0.04 0.00 -0.57 0.00 0.00 34.95 32.65 1sou s ARG 159 CO 0.33 -0.86 0.51 -0.51 -1.08 0.00 0.00 175.30 173.69 1sou s LEU 160 N 1.93 4.07 -0.49 -1.89 1.43 -1.26 -5.01 118.68 117.46 1sou s LEU 160 Ca 0.05 0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 53.35 1sou s LEU 160 Cb -0.17 -3.30 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 1sou s LEU 160 CO -0.22 -0.23 2.26 -2.16 0.23 0.00 0.00 176.35 176.24 1sou s PRO 161 N -4.03 2.32 0.04 1.29 0.04 -1.26 -4.94 135.00 128.46 1sou s PRO 161 Ca 0.40 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1sou s PRO 161 Cb -0.10 -4.52 -0.06 0.00 0.04 0.00 0.00 34.50 29.86 1sou s PRO 161 CO 0.34 -3.04 0.51 1.03 0.04 0.00 0.00 177.00 175.88 1sou s ARG 162 N 7.80 4.11 0.00 4.56 0.52 -1.26 -4.92 118.95 129.75 1sou s ARG 162 Ca 0.91 0.62 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 1sou s ARG 162 Cb -0.17 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.06 1sou s ARG 162 CO 0.26 0.64 0.00 -3.47 0.02 0.00 0.00 175.30 172.75 1sou n ASP 163 N 1.81 0.00 0.00 0.23 -0.08 -1.26 -5.07 116.55 112.18 1sou n ASP 163 Ca -0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.17 1sou n ASP 163 Cb 0.51 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.97 1sou n ASP 163 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sou n ALA 164 N -3.00 0.00 -2.05 -1.67 0.00 -1.26 -4.97 120.51 107.56 1sou n ALA 164 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1sou n ALA 164 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 1sou n ALA 164 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1sou n TRP 165 N -1.28 3.03 -0.93 0.00 8.01 -1.26 -4.98 117.44 120.04 1sou n TRP 165 Ca 0.00 -2.46 0.00 0.00 -1.31 0.00 0.00 57.50 53.73 1sou n TRP 165 Cb 0.00 -1.04 0.00 0.00 -2.01 0.00 0.00 31.31 28.26 1sou n TRP 165 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1sou n ASP 166 N -0.50 0.00 -4.15 -0.99 -0.08 -1.26 -5.05 116.55 104.53 1sou n ASP 166 Ca 0.51 -0.75 -0.36 0.00 -1.51 0.00 0.00 54.79 52.68 1sou n ASP 166 Cb 0.29 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.62 1sou n ASP 166 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1sou s ILE 167 N -0.58 3.20 0.43 5.18 1.01 -1.26 -5.10 121.20 124.10 1sou s ILE 167 Ca 0.00 -1.78 -0.14 0.00 0.00 0.00 0.00 60.65 58.73 1sou s ILE 167 Cb 0.00 -3.06 -0.07 0.00 0.01 0.00 0.00 42.46 39.33 1sou s ILE 167 CO 0.00 -0.47 0.85 -2.16 0.00 0.00 0.00 174.94 173.16 1sou s PRO 168 N 1.19 3.88 0.58 2.79 0.05 -1.26 -4.25 135.00 137.98 1sou s PRO 168 Ca 0.03 0.69 0.03 0.00 0.05 0.00 0.00 61.00 61.80 1sou s PRO 168 Cb -0.21 -2.30 0.06 0.00 0.05 0.00 0.00 34.50 32.10 1sou s PRO 168 CO -0.03 -0.10 0.80 0.14 0.05 0.00 0.00 177.00 177.87 1sou s VAL 169 N -2.41 2.53 -0.23 -0.36 -7.23 -0.08 -5.01 120.40 107.61 1sou s VAL 169 Ca 0.55 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.85 1sou s VAL 169 Cb -0.10 -2.80 -0.10 0.00 0.56 0.00 0.00 36.38 33.94 1sou s VAL 169 CO 0.29 0.00 -0.33 0.47 -0.31 0.00 0.00 175.10 175.22 1sou n ASP 170 N -2.39 1.81 -4.24 4.85 8.00 -0.39 -4.86 116.55 119.33 1sou n ASP 170 Ca 0.10 0.31 -0.28 0.00 0.71 0.00 0.00 54.79 55.64 1sou n ASP 170 Cb 0.60 -0.74 -0.16 0.00 -0.02 0.00 0.00 41.12 40.81 1sou n ASP 170 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sou s VAL 171 N -2.56 1.70 -0.27 2.53 1.01 -1.05 -2.94 120.40 118.83 1sou s VAL 171 Ca -0.33 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 60.71 1sou s VAL 171 Cb 0.11 -1.42 0.05 0.00 0.00 0.00 0.00 36.38 35.12 1sou s VAL 171 CO 0.43 0.46 -0.07 -0.22 0.00 0.00 0.00 175.10 175.70 1sou s LEU 172 N -0.57 3.52 -0.25 3.92 2.96 0.02 -0.38 118.68 127.92 1sou s LEU 172 Ca 0.08 -1.29 -0.09 0.00 -0.22 0.00 0.00 54.13 52.61 1sou s LEU 172 Cb -0.08 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1sou s LEU 172 CO -0.01 -0.20 0.12 -0.69 -1.32 0.00 0.00 176.35 174.25 1sou s VAL 173 N 1.17 4.81 0.18 1.68 1.01 -0.15 -0.36 120.40 128.74 1sou s VAL 173 Ca -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1sou s VAL 173 Cb -0.19 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1sou s VAL 173 CO -0.04 0.33 0.14 0.35 0.00 0.00 0.00 175.10 175.88 1sou n THR 174 N 4.70 0.00 0.31 3.92 -2.24 -0.77 -1.79 114.28 118.42 1sou n THR 174 Ca -0.15 -0.69 0.17 0.00 -2.27 0.00 0.00 64.05 61.10 1sou n THR 174 Cb 0.52 -0.40 0.69 0.00 -2.10 0.00 0.00 70.33 69.03 1sou n THR 174 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1sou h GLU 175 N 0.00 0.00 0.00 -0.78 4.11 -1.86 -3.38 114.58 112.67 1sou h GLU 175 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1sou h GLU 175 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1sou h GLU 175 CO 0.17 0.00 -0.07 1.63 0.07 0.00 0.00 179.01 180.81 1sou n LYS 176 N -2.90 0.04 -4.57 1.06 4.76 -1.26 -4.63 118.16 110.66 1sou n LYS 176 Ca 0.01 0.01 -0.26 0.00 -2.87 0.00 0.00 58.31 55.20 1sou n LYS 176 Cb 0.27 -0.33 -0.11 0.00 -1.84 0.00 0.00 35.03 33.01 1sou n LYS 176 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1sou s ASN 177 N -5.38 3.55 -0.18 4.39 6.03 -1.26 -5.09 114.94 117.00 1sou s ASN 177 Ca -0.02 -1.33 -0.01 0.00 -1.03 0.00 0.00 52.86 50.47 1sou s ASN 177 Cb 0.00 -0.33 -0.00 0.00 -3.03 0.00 0.00 41.25 37.89 1sou s ASN 177 CO 0.03 -0.42 -0.11 -0.69 -2.03 0.00 0.00 177.10 173.88 1sou s VAL 178 N -2.80 2.97 -0.39 3.54 1.01 -1.26 -1.84 120.40 121.64 1sou s VAL 178 Ca 0.34 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1sou s VAL 178 Cb 0.08 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1sou s VAL 178 CO 0.17 0.48 0.24 -0.13 0.00 0.00 0.00 175.10 175.86 1sou s ARG 179 N 1.05 2.88 -1.00 2.72 0.52 0.51 -4.98 118.95 120.65 1sou s ARG 179 Ca -0.00 -1.05 -0.21 0.00 -0.52 0.00 0.00 55.73 53.94 1sou s ARG 179 Cb -0.15 -3.81 0.08 0.00 0.52 0.00 0.00 34.95 31.59 1sou s ARG 179 CO -0.02 -0.71 1.34 1.03 0.02 0.00 0.00 175.30 176.95 1sou s ARG 180 N 1.60 3.61 0.17 3.54 0.52 -1.26 -0.80 118.95 126.34 1sou s ARG 180 Ca 0.03 -1.42 -0.11 0.00 -0.52 0.00 0.00 55.73 53.71 1sou s ARG 180 Cb -0.19 -5.19 0.07 0.00 0.52 0.00 0.00 34.95 30.16 1sou s ARG 180 CO 0.08 -2.04 1.69 -0.07 0.02 0.00 0.00 175.30 174.98 1sou h LEU 181 N 11.83 0.89 -3.16 2.53 3.38 -1.87 -2.99 115.31 125.91 1sou h LEU 181 Ca 0.19 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1sou h LEU 181 Cb 1.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 1sou h LEU 181 CO 1.30 0.88 -0.24 -1.14 0.09 0.00 0.00 178.44 179.34 1sou n ARG 182 N -4.37 1.75 -3.72 1.13 0.63 -1.24 -4.92 116.66 105.91 1sou n ARG 182 Ca 0.03 -3.15 -0.26 0.00 -0.92 0.00 0.00 57.85 53.55 1sou n ARG 182 Cb 0.23 -1.70 -0.17 0.00 0.45 0.00 0.00 32.46 31.26 1sou n ARG 182 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1sou s ASP 183 N -2.82 2.36 0.00 6.15 2.15 -1.13 -5.11 116.67 118.27 1sou s ASP 183 Ca 0.40 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 52.85 1sou s ASP 183 Cb 0.37 -0.48 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 1sou s ASP 183 CO -0.02 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.31 1sou n GLY 184 N 5.12 3.65 1.30 2.66 0.00 -1.26 -4.75 105.19 111.91 1sou n GLY 184 Ca -0.08 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.88 1sou n GLY 184 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1sou n ARG 185 N -1.35 -3.27 -3.74 1.61 0.63 -1.26 -5.11 116.66 104.17 1sou n ARG 185 Ca 0.00 2.45 -0.12 0.00 -0.92 0.00 0.00 57.85 59.26 1sou n ARG 185 Cb 0.00 -2.54 -0.07 0.00 0.45 0.00 0.00 32.46 30.30 1sou n ARG 185 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1sou s SER 186 N -0.88 -0.16 0.00 6.15 0.15 -1.26 -5.05 113.70 112.65 1sou s SER 186 Ca 0.00 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.56 1sou s SER 186 Cb 0.00 0.37 0.05 0.00 -1.71 0.00 0.00 66.02 64.73 1sou s SER 186 CO 0.00 -0.61 0.82 -0.11 1.20 0.00 0.00 173.24 174.55 1sou n LEU 187 N 0.64 -0.22 -4.14 3.45 7.94 -1.26 -5.11 117.00 118.30 1sou n LEU 187 Ca -0.19 -1.47 -0.31 0.00 -1.11 0.00 0.00 56.01 52.93 1sou n LEU 187 Cb 0.59 0.00 -0.17 0.00 0.53 0.00 0.00 43.42 44.37 1sou n LEU 187 CO 0.21 1.01 -0.53 -1.61 -1.11 0.00 0.00 177.39 175.36 1sou s GLU 188 N 0.00 2.74 0.00 1.96 2.02 -1.26 -5.10 118.70 119.06 1sou s GLU 188 Ca 0.04 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.28 1sou s GLU 188 Cb 0.05 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 32.05 1sou s GLU 188 CO -0.02 -0.01 0.00 0.72 0.02 0.00 0.00 175.26 175.97 1sou n HIS 189 N 4.04 0.00 -1.80 1.61 8.25 -1.26 -5.03 115.22 121.03 1sou n HIS 189 Ca -0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.84 1sou n HIS 189 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 1sou n HIS 189 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1sou s HIS 190 N 2.68 1.54 0.32 4.41 2.46 -1.26 -4.90 115.29 120.54 1sou s HIS 190 Ca 0.00 -0.07 -0.29 0.00 0.47 0.00 0.00 55.06 55.17 1sou s HIS 190 Cb 0.00 -4.09 -0.11 0.00 -0.13 0.00 0.00 32.58 28.24 1sou s HIS 190 CO 0.00 -4.67 1.57 -1.01 -2.47 0.00 0.00 174.74 168.16 1sou s HIS 191 N 4.87 2.67 -0.39 3.88 0.09 -1.26 -4.86 115.29 120.29 1sou s HIS 191 Ca 0.84 0.89 0.02 0.00 -0.00 0.00 0.00 55.06 56.80 1sou s HIS 191 Cb -0.37 -4.08 0.15 0.00 -0.00 0.00 0.00 32.58 28.28 1sou s HIS 191 CO 0.36 -3.49 1.02 0.72 -0.00 0.00 0.00 174.74 173.35 1sou n HIS 192 N 1.59 0.55 -3.69 1.40 8.25 -1.26 -4.71 115.22 117.35 1sou n HIS 192 Ca 0.06 -0.52 -0.12 0.00 -0.26 0.00 0.00 57.72 56.87 1sou n HIS 192 Cb 0.38 -0.31 -0.09 0.00 1.12 0.00 0.00 29.99 31.09 1sou n HIS 192 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1sou s HIS 193 N -0.95 -0.63 -2.74 4.41 5.04 -1.26 -5.30 115.29 113.85 1sou s HIS 193 Ca 0.11 1.48 0.26 0.00 -1.54 0.00 0.00 55.06 55.37 1sou s HIS 193 Cb 0.09 0.25 0.63 0.00 0.04 0.00 0.00 32.58 33.60 1sou s HIS 193 CO 0.03 -0.32 1.51 0.72 -2.34 0.00 0.00 174.74 174.34