#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sou s LEU 2 N 0.00 3.46 0.54 -0.89 1.02 -1.26 -5.01 118.68 116.54 1sou s LEU 2 Ca 0.00 -0.25 0.31 0.00 0.02 0.00 0.00 54.13 54.21 1sou s LEU 2 Cb 0.00 -2.14 1.49 0.00 0.02 0.00 0.00 46.19 45.56 1sou s LEU 2 CO 0.00 0.13 2.06 0.07 0.02 0.00 0.00 176.35 178.62 1sou h LYS 3 N 3.00 0.00 -0.08 1.70 2.10 -1.99 -1.55 116.57 119.75 1sou h LYS 3 Ca -0.47 0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.20 1sou h LYS 3 Cb 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1sou h LYS 3 CO 0.60 0.09 0.06 1.03 -2.00 0.00 0.00 179.45 179.23 1sou h SER 4 N 0.00 0.00 0.12 7.07 0.87 -1.95 0.12 113.55 119.79 1sou h SER 4 Ca -0.00 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.39 1sou h SER 4 Cb 0.39 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1sou h SER 4 CO 0.01 0.00 -0.73 -0.33 -0.53 0.00 0.00 176.83 175.25 1sou h GLU 5 N 0.00 0.26 -0.57 2.24 5.08 -1.67 -3.28 114.58 116.63 1sou h GLU 5 Ca 0.04 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1sou h GLU 5 Cb 0.16 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1sou h GLU 5 CO -0.00 1.21 0.37 1.25 -1.00 0.00 0.00 179.01 180.84 1sou h LEU 6 N -0.46 0.66 -0.54 1.33 5.85 -1.32 -1.76 115.31 119.07 1sou h LEU 6 Ca -0.13 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1sou h LEU 6 Cb 1.56 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 1sou h LEU 6 CO 0.13 0.49 0.22 -0.09 -0.34 0.00 0.00 178.44 178.85 1sou h ARG 7 N 0.78 0.41 -0.55 1.25 1.12 -0.87 -0.35 114.38 116.17 1sou h ARG 7 Ca 0.21 -0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.96 1sou h ARG 7 Cb -0.07 -0.09 -0.02 0.00 -0.01 0.00 0.00 29.97 29.77 1sou h ARG 7 CO -0.04 0.27 -0.05 0.87 -3.11 0.00 0.00 179.97 177.91 1sou h LYS 8 N 0.42 0.98 -0.03 0.20 1.57 -1.39 0.13 116.57 118.45 1sou h LYS 8 Ca 0.26 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1sou h LYS 8 Cb 0.26 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1sou h LYS 8 CO -0.24 0.99 0.02 -0.22 -0.57 0.00 0.00 179.45 179.43 1sou h LYS 9 N 0.89 0.04 -0.31 3.15 3.64 -0.85 0.21 116.57 123.34 1sou h LYS 9 Ca 0.15 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 1sou h LYS 9 Cb 0.58 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1sou h LYS 9 CO 0.04 0.04 -0.28 0.28 -2.27 0.00 0.00 179.45 177.26 1sou h VAL 10 N 0.03 1.30 -0.69 2.00 2.07 -0.96 -2.79 116.25 117.20 1sou h VAL 10 Ca 0.01 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1sou h VAL 10 Cb 0.01 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1sou h VAL 10 CO -0.00 0.47 0.39 0.25 0.02 0.00 0.00 177.57 178.69 1sou h LEU 11 N 0.49 0.85 -0.59 2.57 5.85 -0.65 -1.74 115.31 122.10 1sou h LEU 11 Ca 0.05 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1sou h LEU 11 Cb 0.85 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1sou h LEU 11 CO 0.07 0.69 0.35 -0.74 -0.34 0.00 0.00 178.44 178.47 1sou h HIS 12 N 0.94 0.65 -0.29 1.25 2.76 -0.52 -2.06 115.15 117.88 1sou h HIS 12 Ca 0.24 0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.33 1sou h HIS 12 Cb 0.02 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 1sou h HIS 12 CO -0.01 0.36 -0.26 0.87 -1.30 0.00 0.00 177.93 177.60 1sou h LYS 13 N 0.68 0.57 0.08 5.26 1.57 -1.20 -1.91 116.57 121.62 1sou h LYS 13 Ca 0.24 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1sou h LYS 13 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1sou h LYS 13 CO -0.11 0.77 -0.04 -0.09 -0.57 0.00 0.00 179.45 179.42 1sou h ARG 14 N 0.49 -0.10 -0.13 3.15 2.43 -0.71 -2.31 114.38 117.21 1sou h ARG 14 Ca 0.07 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1sou h ARG 14 Cb 0.71 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1sou h ARG 14 CO 0.05 -0.03 0.00 0.44 -1.51 0.00 0.00 179.97 178.92 1sou n ILE 15 N -5.12 0.17 0.78 1.20 -5.35 -0.83 -2.99 119.36 107.23 1sou n ILE 15 Ca -0.08 -0.18 0.09 0.00 -0.27 0.00 0.00 62.75 62.32 1sou n ILE 15 Cb 0.08 0.08 -0.12 0.00 -1.74 0.00 0.00 39.64 37.94 1sou n ILE 15 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1sou n ASN 16 N -0.13 0.84 -4.72 7.28 4.05 -0.73 -4.99 115.26 116.87 1sou n ASN 16 Ca 0.06 -0.81 -0.36 0.00 0.45 0.00 0.00 54.58 53.92 1sou n ASN 16 Cb 0.12 1.15 0.09 0.00 1.23 0.00 0.00 39.78 42.38 1sou n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1sou s LEU 17 N -3.17 3.40 0.62 1.20 1.43 -1.16 -4.99 118.68 116.01 1sou s LEU 17 Ca 0.05 2.53 -0.14 0.00 -1.03 0.00 0.00 54.13 55.54 1sou s LEU 17 Cb 0.15 -4.61 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 1sou s LEU 17 CO 0.82 -2.30 1.05 -0.44 0.23 0.00 0.00 176.35 175.71 1sou s SER 18 N -1.68 5.73 0.17 2.29 0.01 -1.26 -4.88 113.70 114.08 1sou s SER 18 Ca 0.79 1.72 -0.09 0.00 1.31 0.00 0.00 55.95 59.68 1sou s SER 18 Cb -0.34 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.41 1sou s SER 18 CO 0.44 -1.20 1.56 -0.08 0.41 0.00 0.00 173.24 174.37 1sou h GLU 19 N 0.08 0.95 -0.50 12.44 4.81 -1.99 0.13 114.58 130.49 1sou h GLU 19 Ca -0.46 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 58.34 1sou h GLU 19 Cb 1.21 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 1sou h GLU 19 CO 0.58 1.08 0.23 0.93 -0.73 0.00 0.00 179.01 181.09 1sou h GLU 20 N 0.81 0.73 -0.40 1.92 5.08 -2.00 -2.58 114.58 118.14 1sou h GLU 20 Ca 0.10 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1sou h GLU 20 Cb 0.80 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1sou h GLU 20 CO 0.07 0.62 0.15 1.49 -1.00 0.00 0.00 179.01 180.34 1sou h GLU 21 N 0.67 0.56 0.45 2.33 4.81 -1.82 0.67 114.58 122.25 1sou h GLU 21 Ca 0.17 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1sou h GLU 21 Cb 0.13 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1sou h GLU 21 CO -0.02 0.47 -0.44 0.00 -0.73 0.00 0.00 179.01 178.29 1sou h ARG 22 N 0.56 -0.85 -0.58 1.92 2.47 -0.36 0.05 114.38 117.58 1sou h ARG 22 Ca 0.14 0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.88 1sou h ARG 22 Cb 0.12 0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 1sou h ARG 22 CO -0.01 -0.57 0.22 -0.09 0.56 0.00 0.00 179.97 180.07 1sou h ARG 23 N -0.88 0.86 -0.50 0.04 2.43 -1.28 0.14 114.38 115.18 1sou h ARG 23 Ca -0.06 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1sou h ARG 23 Cb 0.76 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1sou h ARG 23 CO -0.04 0.71 0.31 -0.09 -1.51 0.00 0.00 179.97 179.35 1sou h ARG 24 N 0.84 0.67 0.14 0.20 2.43 -0.60 0.15 114.38 118.20 1sou h ARG 24 Ca 0.20 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.98 1sou h ARG 24 Cb 0.19 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1sou h ARG 24 CO -0.02 0.47 -1.74 -0.07 -1.51 0.00 0.00 179.97 177.11 1sou h LEU 25 N 0.67 0.45 -1.25 3.80 3.38 -0.85 -3.30 115.31 118.22 1sou h LEU 25 Ca 0.18 -0.74 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 1sou h LEU 25 Cb -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1sou h LEU 25 CO -0.04 1.64 -0.25 -1.28 0.09 0.00 0.00 178.44 178.61 1sou h SER 26 N 0.08 0.20 0.68 -0.43 0.87 -0.67 -1.05 113.55 113.23 1sou h SER 26 Ca -0.33 -0.06 -0.06 0.00 -1.23 0.00 0.00 61.79 60.11 1sou h SER 26 Cb 2.05 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.95 1sou h SER 26 CO 0.15 0.45 -0.30 -0.08 -0.53 0.00 0.00 176.83 176.52 1sou h GLU 27 N 0.19 0.00 -0.04 2.24 4.81 -0.83 0.78 114.58 121.73 1sou h GLU 27 Ca 0.03 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 1sou h GLU 27 Cb 0.54 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.93 1sou h GLU 27 CO 0.04 0.30 -0.57 0.87 -0.73 0.00 0.00 179.01 178.92 1sou h LYS 28 N 0.00 0.46 -0.17 1.92 1.79 -1.37 -2.18 116.57 117.02 1sou h LYS 28 Ca -0.00 -0.44 -0.00 0.00 -2.18 0.00 0.00 60.65 58.03 1sou h LYS 28 Cb 0.72 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1sou h LYS 28 CO 0.04 1.08 0.10 0.28 -1.08 0.00 0.00 179.45 179.87 1sou h VAL 29 N -0.01 1.07 -0.27 0.50 2.07 -0.75 0.13 116.25 119.00 1sou h VAL 29 Ca -0.06 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1sou h VAL 29 Cb 1.25 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1sou h VAL 29 CO 0.11 0.07 0.17 0.40 0.02 0.00 0.00 177.57 178.34 1sou h ILE 30 N 0.20 1.07 -0.84 4.57 2.04 -0.94 -0.27 117.51 123.33 1sou h ILE 30 Ca 0.06 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1sou h ILE 30 Cb 0.02 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1sou h ILE 30 CO -0.01 0.07 0.44 -1.28 0.00 0.00 0.00 178.15 177.37 1sou h SER 31 N 0.36 1.07 -0.55 1.72 0.87 -1.20 -0.62 113.55 115.19 1sou h SER 31 Ca 0.10 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1sou h SER 31 Cb -0.03 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.63 1sou h SER 31 CO -0.02 0.87 0.21 -1.13 -0.53 0.00 0.00 176.83 176.23 1sou h ASN 32 N 1.19 0.77 -0.09 6.23 -0.73 -0.27 0.33 115.58 123.01 1sou h ASN 32 Ca 0.29 -0.18 -0.07 0.00 1.87 0.00 0.00 56.30 58.21 1sou h ASN 32 Cb 0.06 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 1sou h ASN 32 CO -0.04 0.74 -0.14 0.25 -0.37 0.00 0.00 177.43 177.87 1sou h LEU 33 N 0.76 0.42 -0.79 0.34 5.85 -0.61 -0.41 115.31 120.86 1sou h LEU 33 Ca 0.18 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 1sou h LEU 33 Cb 0.22 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1sou h LEU 33 CO -0.01 0.59 -0.57 0.11 -0.34 0.00 0.00 178.44 178.22 1sou h LYS 34 N 0.40 0.10 -0.00 1.25 1.79 -0.46 -2.69 116.57 116.96 1sou h LYS 34 Ca 0.07 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1sou h LYS 34 Cb 0.49 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1sou h LYS 34 CO 0.03 0.64 -0.20 -1.13 -1.08 0.00 0.00 179.45 177.71 1sou n SER 35 N -3.88 0.25 -4.61 0.86 3.41 0.04 -4.75 113.62 104.95 1sou n SER 35 Ca -0.02 0.07 -0.43 0.00 -0.26 0.00 0.00 58.87 58.23 1sou n SER 35 Cb 0.58 -0.16 -0.02 0.00 -0.26 0.00 0.00 64.21 64.35 1sou n SER 35 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1sou s LEU 36 N -2.93 3.65 0.44 1.04 0.20 -0.23 -4.89 118.68 115.95 1sou s LEU 36 Ca 0.15 1.19 0.10 0.00 0.69 0.00 0.00 54.13 56.26 1sou s LEU 36 Cb 0.19 -3.53 0.97 0.00 -0.43 0.00 0.00 46.19 43.38 1sou s LEU 36 CO 0.59 -1.46 2.07 1.55 -0.29 0.00 0.00 176.35 178.81 1sou h PRO 37 N 11.33 0.41 -0.25 0.98 0.13 -1.86 -1.67 132.00 141.07 1sou h PRO 37 Ca -0.31 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 1sou h PRO 37 Cb 1.14 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1sou h PRO 37 CO 1.04 0.27 -0.28 1.49 -0.23 0.00 0.00 178.00 180.30 1sou h GLU 38 N 0.42 0.48 0.00 0.86 4.57 -1.94 -2.54 114.58 116.43 1sou h GLU 38 Ca 0.13 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.06 1sou h GLU 38 Cb 0.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1sou h GLU 38 CO -0.03 0.72 -0.26 0.35 -1.18 0.00 0.00 179.01 178.61 1sou h PHE 39 N 0.42 0.00 -0.19 0.92 3.57 -1.58 0.18 116.94 120.26 1sou h PHE 39 Ca 0.06 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1sou h PHE 39 Cb 0.70 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1sou h PHE 39 CO 0.02 0.26 -0.45 -0.22 -2.23 0.00 0.00 178.31 175.69 1sou h LYS 40 N 0.00 0.46 0.00 1.11 3.64 -1.34 -3.31 116.57 117.13 1sou h LYS 40 Ca -0.00 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.07 1sou h LYS 40 Cb 0.69 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1sou h LYS 40 CO 0.03 0.82 -2.04 1.17 -2.27 0.00 0.00 179.45 177.16 1sou n LYS 41 N -4.00 0.66 -1.68 1.90 4.81 -0.89 -4.94 118.16 114.02 1sou n LYS 41 Ca -0.02 -0.17 -0.43 0.00 -0.87 0.00 0.00 58.31 56.82 1sou n LYS 41 Cb 0.53 -1.51 -0.03 0.00 0.02 0.00 0.00 35.03 34.04 1sou n LYS 41 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1sou n SER 42 N -2.32 3.95 0.07 3.14 3.41 0.57 -4.92 113.62 117.51 1sou n SER 42 Ca -0.09 0.97 -0.04 0.00 -0.26 0.00 0.00 58.87 59.46 1sou n SER 42 Cb 0.65 -1.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.07 1sou n SER 42 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1sou h LYS 43 N 8.89 -0.22 -5.17 4.33 1.79 -1.91 -3.43 116.57 120.84 1sou h LYS 43 Ca -0.47 0.02 -0.66 0.00 -2.18 0.00 0.00 60.65 57.36 1sou h LYS 43 Cb 1.23 0.05 -0.16 0.00 -1.58 0.00 0.00 32.23 31.77 1sou h LYS 43 CO 0.94 -0.15 -0.08 0.15 -1.08 0.00 0.00 179.45 179.24 1sou s LYS 44 N -2.28 3.48 -0.24 3.15 3.01 -1.26 -0.41 119.74 125.18 1sou s LYS 44 Ca -0.03 -0.32 -0.01 0.00 -1.01 0.00 0.00 55.97 54.60 1sou s LYS 44 Cb 0.00 -3.85 0.03 0.00 -1.01 0.00 0.00 37.83 33.00 1sou s LYS 44 CO 0.10 -0.72 -0.08 0.08 0.51 0.00 0.00 175.35 175.24 1sou s VAL 45 N 2.37 2.68 -0.04 3.17 1.01 0.45 -0.43 120.40 129.62 1sou s VAL 45 Ca 0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 1sou s VAL 45 Cb -0.16 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1sou s VAL 45 CO 0.14 0.21 0.19 0.00 0.00 0.00 0.00 175.10 175.64 1sou s ALA 46 N 1.29 3.90 0.03 5.51 0.00 0.51 -0.69 121.76 132.32 1sou s ALA 46 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1sou s ALA 46 Cb -0.17 -1.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 1sou s ALA 46 CO -0.06 0.68 -0.06 -0.51 0.00 0.00 0.00 175.76 175.81 1sou s LEU 47 N -1.59 2.21 -0.04 0.00 1.02 -0.80 -0.36 118.68 119.12 1sou s LEU 47 Ca 0.23 -0.46 -0.09 0.00 0.02 0.00 0.00 54.13 53.83 1sou s LEU 47 Cb -0.13 -0.12 -0.05 0.00 0.02 0.00 0.00 46.19 45.92 1sou s LEU 47 CO 0.13 -0.18 0.27 -0.31 0.02 0.00 0.00 176.35 176.28 1sou s TYR 48 N -1.17 3.63 0.43 0.29 1.51 -0.99 -4.45 117.35 116.60 1sou s TYR 48 Ca -0.09 0.69 -0.23 0.00 -1.01 0.00 0.00 57.07 56.43 1sou s TYR 48 Cb -0.09 -2.07 -0.08 0.00 -0.11 0.00 0.00 41.96 39.62 1sou s TYR 48 CO 0.00 0.66 1.08 0.00 -1.11 0.00 0.00 175.55 176.18 1sou n PRO 50 N -0.34 1.53 0.00 0.00 -0.02 -1.26 -4.87 135.00 130.05 1sou n PRO 50 Ca 0.06 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1sou n PRO 50 Cb 0.50 -3.20 0.00 0.00 -0.02 0.00 0.00 33.50 30.77 1sou n PRO 50 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1sou n ILE 51 N 7.79 0.00 1.13 4.25 -5.35 -1.26 -4.79 119.36 121.14 1sou n ILE 51 Ca 0.34 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.94 1sou n ILE 51 Cb 0.45 -0.73 0.27 0.00 -1.74 0.00 0.00 39.64 37.90 1sou n ILE 51 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1sou n LYS 52 N -0.69 0.56 -3.51 6.28 5.02 -1.26 -4.77 118.16 119.79 1sou n LYS 52 Ca 0.00 -0.36 -0.38 0.00 -2.02 0.00 0.00 58.31 55.55 1sou n LYS 52 Cb 0.00 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.42 1sou n LYS 52 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1sou s GLY 53 N -2.68 1.93 0.00 0.72 0.00 -1.26 -4.85 107.32 101.18 1sou s GLY 53 Ca 0.19 -0.93 0.16 0.00 0.00 0.00 0.00 44.72 44.14 1sou s GLY 53 CO 0.60 0.75 1.40 -1.84 0.00 0.00 0.00 173.10 174.01 1sou n GLU 54 N 5.04 1.85 -2.08 2.90 -0.00 -1.26 -4.48 120.64 122.61 1sou n GLU 54 Ca -0.12 -1.31 -0.39 0.00 -0.00 0.00 0.00 57.16 55.35 1sou n GLU 54 Cb 0.51 -1.35 -0.03 0.00 -0.00 0.00 0.00 31.44 30.58 1sou n GLU 54 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1sou s VAL 55 N -1.61 3.39 -0.62 3.84 1.01 -1.26 -4.93 120.40 120.22 1sou s VAL 55 Ca 0.29 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.26 1sou s VAL 55 Cb 0.16 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1sou s VAL 55 CO 0.22 -0.96 1.00 -0.62 0.00 0.00 0.00 175.10 174.73 1sou s ASP 56 N 7.70 6.25 -0.13 3.32 -1.08 -1.26 -4.72 116.67 126.75 1sou s ASP 56 Ca 0.65 -0.62 0.17 0.00 -0.52 0.00 0.00 52.55 52.24 1sou s ASP 56 Cb -0.13 -2.45 0.70 0.00 -1.46 0.00 0.00 42.92 39.58 1sou s ASP 56 CO 0.21 -1.39 1.61 0.18 0.52 0.00 0.00 175.17 176.30 1sou n LEU 57 N 7.81 4.73 0.05 -1.34 4.77 -1.26 -4.64 117.00 127.12 1sou n LEU 57 Ca -0.00 -2.55 -0.13 0.00 -0.03 0.00 0.00 56.01 53.30 1sou n LEU 57 Cb 0.47 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.91 1sou n LEU 57 CO 0.65 0.77 0.78 0.74 -1.33 0.00 0.00 177.39 179.00 1sou h THR 58 N 3.74 1.04 0.00 -5.08 2.02 -1.96 -2.48 112.91 110.19 1sou h THR 58 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1sou h THR 58 Cb 1.49 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1sou h THR 58 CO 0.26 0.08 0.00 -2.65 0.37 0.00 0.00 175.52 173.58 1sou n PRO 59 N -5.06 0.33 0.14 6.66 -0.02 -1.26 -1.87 135.00 133.92 1sou n PRO 59 Ca -0.08 0.02 0.12 0.00 -2.02 0.00 0.00 63.50 61.54 1sou n PRO 59 Cb 0.11 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.20 1sou n PRO 59 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1sou h LEU 60 N 0.00 0.00 -0.06 2.45 5.85 -1.78 -3.37 115.31 118.40 1sou h LEU 60 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1sou h LEU 60 Cb 0.01 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1sou h LEU 60 CO 0.00 0.01 0.02 -0.26 -0.34 0.00 0.00 178.44 177.88 1sou h PHE 61 N 0.00 0.04 -0.78 1.25 0.04 -1.48 -0.58 116.94 115.44 1sou h PHE 61 Ca 0.00 0.00 0.19 0.00 2.80 0.00 0.00 57.97 60.96 1sou h PHE 61 Cb 0.95 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.04 1sou h PHE 61 CO 0.00 0.03 0.53 -1.35 -0.60 0.00 0.00 178.31 176.92 1sou h PRO 62 N 0.06 0.24 0.11 1.51 0.11 -1.80 0.79 132.00 133.02 1sou h PRO 62 Ca 0.02 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1sou h PRO 62 Cb 0.01 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1sou h PRO 62 CO -0.02 0.16 -0.05 1.49 -0.21 0.00 0.00 178.00 179.37 1sou h GLU 63 N 0.25 -0.14 -0.51 1.05 4.57 -1.59 -3.22 114.58 114.98 1sou h GLU 63 Ca 0.38 0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.62 1sou h GLU 63 Cb 1.14 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 1sou h GLU 63 CO -0.09 0.34 0.26 0.28 -1.18 0.00 0.00 179.01 178.62 1sou h VAL 64 N -0.73 0.96 0.00 0.32 2.07 -0.31 -1.77 116.25 116.79 1sou h VAL 64 Ca -0.01 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1sou h VAL 64 Cb 0.55 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1sou h VAL 64 CO 0.02 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.89 1sou n LEU 65 N -4.88 0.34 0.01 2.57 4.77 0.20 -0.38 117.00 119.63 1sou n LEU 65 Ca 0.05 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.75 1sou n LEU 65 Cb 0.13 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 1sou n LEU 65 CO 0.29 -0.58 -0.17 1.17 -1.33 0.00 0.00 177.39 176.78 1sou n LYS 66 N -1.91 0.27 -0.03 3.23 3.00 -0.67 -4.60 118.16 117.45 1sou n LYS 66 Ca 0.01 -0.04 -0.08 0.00 -0.00 0.00 0.00 58.31 58.20 1sou n LYS 66 Cb 0.11 -1.55 -0.03 0.00 0.00 0.00 0.00 35.03 33.57 1sou n LYS 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1sou n GLU 67 N -1.87 0.26 -2.39 1.64 1.02 -0.57 -5.12 120.64 113.61 1sou n GLU 67 Ca 0.01 0.11 -0.04 0.00 -0.02 0.00 0.00 57.16 57.22 1sou n GLU 67 Cb 0.43 -0.95 -0.01 0.00 -0.02 0.00 0.00 31.44 30.89 1sou n GLU 67 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1sou n LYS 68 N -3.83 0.98 -3.52 3.49 0.00 0.49 -5.10 118.16 110.67 1sou n LYS 68 Ca -0.13 -0.56 -0.38 0.00 -0.00 0.00 0.00 58.31 57.24 1sou n LYS 68 Cb 0.39 0.29 -0.06 0.00 -0.00 0.00 0.00 35.03 35.65 1sou n LYS 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1sou s GLU 69 N -2.25 3.94 0.21 -1.58 2.12 0.45 -4.07 118.70 117.51 1sou s GLU 69 Ca 0.03 0.34 0.03 0.00 0.36 0.00 0.00 54.97 55.72 1sou s GLU 69 Cb 0.00 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 1sou s GLU 69 CO 0.02 0.62 0.36 -1.17 -0.54 0.00 0.00 175.26 174.54 1sou s LEU 70 N -0.80 4.28 -0.02 2.70 2.96 -0.34 -0.41 118.68 127.05 1sou s LEU 70 Ca 0.22 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1sou s LEU 70 Cb -0.16 -2.97 0.02 0.00 0.50 0.00 0.00 46.19 43.59 1sou s LEU 70 CO 0.11 -0.05 0.01 -0.63 -1.32 0.00 0.00 176.35 174.47 1sou s ILE 71 N -1.91 0.10 -0.05 6.68 1.01 0.13 -0.30 121.20 126.86 1sou s ILE 71 Ca 0.35 0.10 0.03 0.00 0.00 0.00 0.00 60.65 61.13 1sou s ILE 71 Cb -0.10 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.18 1sou s ILE 71 CO 0.30 0.11 -0.12 -0.76 0.00 0.00 0.00 174.94 174.47 1sou s LEU 72 N 0.89 1.72 -0.21 2.97 1.43 -0.21 -1.90 118.68 123.37 1sou s LEU 72 Ca -0.08 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1sou s LEU 72 Cb -0.12 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.32 1sou s LEU 72 CO -0.02 0.06 1.45 -2.84 0.23 0.00 0.00 176.35 175.23 1sou s PRO 73 N 0.42 3.99 -0.32 1.29 0.02 -1.26 -2.32 135.00 136.82 1sou s PRO 73 Ca -0.09 1.62 -0.09 0.00 0.02 0.00 0.00 61.00 62.46 1sou s PRO 73 Cb -0.13 -3.92 0.01 0.00 0.02 0.00 0.00 34.50 30.48 1sou s PRO 73 CO 0.02 -1.04 0.14 0.21 -0.33 0.00 0.00 177.00 176.01 1sou s LYS 74 N 4.16 3.09 -0.55 5.54 2.36 0.44 -4.85 119.74 129.91 1sou s LYS 74 Ca 0.63 -0.88 -0.27 0.00 -2.55 0.00 0.00 55.97 52.90 1sou s LYS 74 Cb -0.23 -3.54 0.03 0.00 -1.05 0.00 0.00 37.83 33.04 1sou s LYS 74 CO 0.24 -0.51 1.11 0.08 1.55 0.00 0.00 175.35 177.81 1sou s VAL 75 N 1.55 4.16 -0.79 4.02 1.01 -1.26 -0.41 120.40 128.68 1sou s VAL 75 Ca 0.03 0.77 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 1sou s VAL 75 Cb -0.18 -4.65 0.21 0.00 0.00 0.00 0.00 36.38 31.76 1sou s VAL 75 CO 0.05 -1.22 0.69 -1.61 0.00 0.00 0.00 175.10 173.01 1sou s GLU 76 N 4.58 3.31 3.75 2.72 0.41 -0.46 -4.90 118.70 128.11 1sou s GLU 76 Ca 0.40 -2.59 0.00 0.00 -0.41 0.00 0.00 54.97 52.37 1sou s GLU 76 Cb -0.09 -4.20 0.00 0.00 -1.78 0.00 0.00 34.13 28.07 1sou s GLU 76 CO 0.25 -1.25 0.00 0.41 -0.49 0.00 0.00 175.26 174.18 1sou n GLY 77 N 3.63 1.61 0.00 -1.39 0.00 -1.26 -1.59 105.19 106.19 1sou n GLY 77 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 7.01 0.49 -4.45 1.61 4.13 -1.26 -4.97 115.26 117.82 1sou n ASN 78 Ca 0.00 -0.76 -0.44 0.00 1.68 0.00 0.00 54.58 55.07 1sou n ASN 78 Cb 0.00 0.35 -0.07 0.00 -1.54 0.00 0.00 39.78 38.52 1sou n ASN 78 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1sou s GLU 79 N -0.35 3.11 -0.66 3.52 -6.30 -0.62 -5.01 118.70 112.39 1sou s GLU 79 Ca 0.00 -0.88 -0.26 0.00 -2.50 0.00 0.00 54.97 51.33 1sou s GLU 79 Cb 0.00 -4.06 0.04 0.00 0.00 0.00 0.00 34.13 30.11 1sou s GLU 79 CO 0.00 -1.11 1.14 0.42 0.02 0.00 0.00 175.26 175.73 1sou s ILE 80 N 2.43 4.02 -0.19 -3.70 1.01 -1.26 -1.35 121.20 122.16 1sou s ILE 80 Ca 0.14 0.34 -0.25 0.00 0.00 0.00 0.00 60.65 60.88 1sou s ILE 80 Cb -0.19 -4.76 -0.01 0.00 0.01 0.00 0.00 42.46 37.50 1sou s ILE 80 CO 0.12 -1.54 0.82 -0.44 0.00 0.00 0.00 174.94 173.91 1sou s SER 81 N 3.40 6.91 -0.71 3.58 0.01 0.45 -4.83 113.70 122.52 1sou s SER 81 Ca 0.33 1.12 -0.25 0.00 1.31 0.00 0.00 55.95 58.46 1sou s SER 81 Cb -0.10 -2.44 0.04 0.00 0.21 0.00 0.00 66.02 63.73 1sou s SER 81 CO 0.17 -0.42 1.16 -0.76 0.41 0.00 0.00 173.24 173.80 1sou s LEU 82 N 2.31 3.61 -0.18 2.44 1.43 -1.26 -0.42 118.68 126.60 1sou s LEU 82 Ca 0.37 -0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 1sou s LEU 82 Cb -0.16 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 1sou s LEU 82 CO 0.11 -1.69 0.07 -0.31 0.23 0.00 0.00 176.35 174.76 1sou s TYR 83 N 5.12 3.28 0.50 0.29 2.02 -0.98 -0.45 117.35 127.13 1sou s TYR 83 Ca 0.31 0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.95 1sou s TYR 83 Cb -0.11 -2.08 -0.08 0.00 -0.40 0.00 0.00 41.96 39.29 1sou s TYR 83 CO 0.14 0.19 0.99 -0.98 -1.57 0.00 0.00 175.55 174.32 1sou s ARG 84 N 0.31 3.93 -0.09 -0.62 1.04 0.44 -1.05 118.95 122.91 1sou s ARG 84 Ca 0.04 1.04 0.00 0.00 -1.04 0.00 0.00 55.73 55.78 1sou s ARG 84 Cb -0.12 -2.13 0.02 0.00 -2.04 0.00 0.00 34.95 30.68 1sou s ARG 84 CO -0.00 -0.29 -0.08 0.08 -0.04 0.00 0.00 175.30 174.97 1sou s VAL 85 N -2.47 0.91 0.00 4.99 1.01 0.59 -3.47 120.40 121.95 1sou s VAL 85 Ca 0.61 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.39 1sou s VAL 85 Cb -0.11 -0.92 0.12 0.00 0.00 0.00 0.00 36.38 35.48 1sou s VAL 85 CO 0.27 0.33 0.94 0.00 0.00 0.00 0.00 175.10 176.65 1sou n HIS 86 N 4.53 0.00 -3.83 5.22 1.44 -1.26 -1.20 115.22 120.12 1sou n HIS 86 Ca -0.16 -0.26 -0.12 0.00 -2.01 0.00 0.00 57.72 55.17 1sou n HIS 86 Cb 0.51 0.11 -0.10 0.00 0.12 0.00 0.00 29.99 30.63 1sou n HIS 86 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1sou s SER 87 N -1.07 -0.06 0.66 4.39 0.01 -1.26 -5.10 113.70 111.27 1sou s SER 87 Ca 0.10 -0.08 -0.11 0.00 1.31 0.00 0.00 55.95 57.16 1sou s SER 87 Cb 0.11 0.25 -0.02 0.00 0.21 0.00 0.00 66.02 66.58 1sou s SER 87 CO -0.05 -0.38 1.05 -2.84 0.41 0.00 0.00 173.24 171.42 1sou s PRO 88 N -1.30 3.28 -1.54 12.44 0.02 -1.26 -4.21 135.00 142.42 1sou s PRO 88 Ca -0.14 0.79 0.00 0.00 0.02 0.00 0.00 61.00 61.67 1sou s PRO 88 Cb -0.07 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.41 1sou s PRO 88 CO 0.02 -0.81 0.00 0.00 -0.33 0.00 0.00 177.00 175.88 1sou n ALA 89 N -2.91 -0.22 0.17 -1.55 0.00 -1.26 -4.83 120.51 109.90 1sou n ALA 89 Ca 0.07 0.24 0.10 0.00 0.00 0.00 0.00 53.44 53.84 1sou n ALA 89 Cb 0.54 -1.62 0.19 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.27 4.10 0.23 0.00 1.43 -1.26 -0.53 118.68 121.38 1sou s LEU 91 Ca 0.33 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.58 1sou s LEU 91 Cb 0.19 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1sou s LEU 91 CO 0.26 0.17 0.25 -0.83 0.23 0.00 0.00 176.35 176.43 1sou s GLY 92 N 0.43 1.27 -0.39 -3.19 0.00 0.24 -4.90 107.32 100.78 1sou s GLY 92 Ca 0.07 -1.51 -0.03 0.00 0.00 0.00 0.00 44.72 43.25 1sou s GLY 92 CO -0.01 -1.19 0.16 0.14 0.00 0.00 0.00 173.10 172.21 1sou s VAL 93 N -4.02 3.24 -0.09 1.40 1.01 -1.26 -0.29 120.40 120.40 1sou s VAL 93 Ca 0.34 -1.91 0.04 0.00 0.00 0.00 0.00 61.98 60.45 1sou s VAL 93 Cb 0.04 -3.16 -0.08 0.00 0.00 0.00 0.00 36.38 33.19 1sou s VAL 93 CO 0.13 -0.57 -0.03 0.61 0.00 0.00 0.00 175.10 175.24 1sou n GLY 94 N 4.60 -0.27 0.00 4.51 0.00 -1.26 -5.02 105.19 107.75 1sou n GLY 94 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sou n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sou n ALA 95 N -2.52 0.00 -0.27 4.61 0.00 -1.26 -4.95 120.51 116.12 1sou n ALA 95 Ca -0.15 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.31 1sou n ALA 95 Cb 0.72 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.33 1sou n ALA 95 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1sou h PHE 96 N -0.30 0.73 0.00 0.00 3.57 -1.99 -3.40 116.94 115.55 1sou h PHE 96 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1sou h PHE 96 Cb 0.00 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1sou h PHE 96 CO 0.00 0.28 0.00 0.41 -2.23 0.00 0.00 178.31 176.77 1sou n GLY 97 N -1.31 -1.55 3.34 2.40 0.00 -1.26 -5.17 105.19 101.65 1sou n GLY 97 Ca 0.12 0.76 -0.17 0.00 0.00 0.00 0.00 46.02 46.73 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 0.00 0.98 -0.57 -0.61 -4.36 -1.26 -4.86 121.20 110.52 1sou s ILE 98 Ca 0.00 -2.02 -0.09 0.00 -0.26 0.00 0.00 60.65 58.28 1sou s ILE 98 Cb 0.00 -2.43 0.15 0.00 1.25 0.00 0.00 42.46 41.43 1sou s ILE 98 CO 0.00 -0.25 0.45 -0.04 0.24 0.00 0.00 174.94 175.34 1sou s MET 99 N -3.89 2.72 0.15 0.37 -1.94 -1.26 -4.15 119.30 111.30 1sou s MET 99 Ca 0.30 -2.04 0.05 0.00 -1.71 0.00 0.00 55.69 52.29 1sou s MET 99 Cb 0.06 -4.00 -0.04 0.00 2.01 0.00 0.00 34.83 32.87 1sou s MET 99 CO 0.10 -1.21 0.14 -1.83 -0.01 0.00 0.00 175.02 172.21 1sou s GLU 100 N 0.88 2.94 -0.30 2.03 -1.05 0.60 -4.77 118.70 119.02 1sou s GLU 100 Ca 0.10 -0.83 -0.29 0.00 -0.15 0.00 0.00 54.97 53.80 1sou s GLU 100 Cb -0.22 -2.68 -0.01 0.00 -0.44 0.00 0.00 34.13 30.78 1sou s GLU 100 CO -0.03 0.50 1.58 -2.14 0.95 0.00 0.00 175.26 176.12 1sou s PRO 101 N -3.03 3.64 -0.06 -4.83 0.02 -1.26 -0.59 135.00 128.88 1sou s PRO 101 Ca 0.31 1.38 -0.26 0.00 0.02 0.00 0.00 61.00 62.46 1sou s PRO 101 Cb -0.10 -4.06 -0.22 0.00 0.02 0.00 0.00 34.50 30.13 1sou s PRO 101 CO 0.24 -1.49 1.07 0.28 -0.33 0.00 0.00 177.00 176.77 1sou h VAL 102 N 6.38 1.54 -3.61 3.83 2.07 -1.15 -3.41 116.25 121.89 1sou h VAL 102 Ca -0.31 -1.74 -0.65 0.00 0.82 0.00 0.00 66.70 64.81 1sou h VAL 102 Cb 1.14 2.66 -0.40 0.00 -1.52 0.00 0.00 31.29 33.17 1sou h VAL 102 CO 1.03 0.47 -0.72 -1.61 0.02 0.00 0.00 177.57 176.76 1sou s GLU 103 N -3.36 1.45 0.00 1.57 2.02 -1.25 -5.07 118.70 114.07 1sou s GLU 103 Ca -0.16 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 52.95 1sou s GLU 103 Cb 0.01 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.13 1sou s GLU 103 CO 0.71 -0.96 0.00 0.41 0.02 0.00 0.00 175.26 175.44 1sou n GLY 104 N 4.20 4.86 3.18 -1.39 0.00 -1.26 -4.85 105.19 109.93 1sou n GLY 104 Ca 0.04 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 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 0.27 1.29 -0.01 1.61 2.02 -1.23 -4.95 118.70 117.71 1sou s GLU 105 Ca 0.00 -0.72 -0.30 0.00 0.02 0.00 0.00 54.97 53.97 1sou s GLU 105 Cb 0.00 -1.29 -0.04 0.00 0.10 0.00 0.00 34.13 32.90 1sou s GLU 105 CO 0.00 0.34 1.10 0.50 0.02 0.00 0.00 175.26 177.22 1sou s ARG 106 N -0.74 4.46 0.05 1.61 3.52 -1.26 -0.42 118.95 126.17 1sou s ARG 106 Ca 0.06 1.58 0.08 0.00 -0.13 0.00 0.00 55.73 57.31 1sou s ARG 106 Cb -0.07 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 1sou s ARG 106 CO 0.00 -0.23 -0.21 0.08 -0.81 0.00 0.00 175.30 174.13 1sou s VAL 107 N 1.42 1.72 0.23 7.11 1.01 0.40 -4.90 120.40 127.39 1sou s VAL 107 Ca 0.54 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1sou s VAL 107 Cb -0.24 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1sou s VAL 107 CO 0.26 0.21 0.39 0.54 0.00 0.00 0.00 175.10 176.50 1sou s ASN 108 N -1.23 6.34 0.60 3.32 2.20 -1.26 -4.42 114.94 120.48 1sou s ASN 108 Ca 0.08 0.26 0.29 0.00 -0.94 0.00 0.00 52.86 52.55 1sou s ASN 108 Cb -0.09 -1.95 1.60 0.00 -2.00 0.00 0.00 41.25 38.81 1sou s ASN 108 CO 0.02 -0.09 2.01 -0.65 -2.94 0.00 0.00 177.10 175.45 1sou h PRO 109 N 1.51 0.00 0.00 3.55 0.11 -1.98 -0.79 132.00 134.40 1sou h PRO 109 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1sou h PRO 109 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sou h PRO 109 CO 0.64 0.00 -0.16 1.49 -0.21 0.00 0.00 178.00 179.77 1sou h GLU 110 N 0.00 0.00 -0.02 1.05 4.81 -1.94 -2.66 114.58 115.81 1sou h GLU 110 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1sou h GLU 110 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1sou h GLU 110 CO -0.00 0.16 0.00 -3.47 -0.73 0.00 0.00 179.01 174.97 1sou n ASP 111 N -3.42 2.02 -4.48 1.04 2.03 -0.30 -4.79 116.55 108.64 1sou n ASP 111 Ca -0.01 -1.67 -0.43 0.00 0.52 0.00 0.00 54.79 53.20 1sou n ASP 111 Cb 0.34 -0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.00 4.40 -0.03 5.18 1.01 -1.00 -4.71 120.40 123.25 1sou s VAL 112 Ca 0.35 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 62.06 1sou s VAL 112 Cb 0.21 -4.59 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 1sou s VAL 112 CO 0.32 -1.25 0.80 0.44 0.00 0.00 0.00 175.10 175.41 1sou h ASP 113 N 9.41 -0.41 -4.29 3.32 3.32 -1.83 -3.39 116.42 122.55 1sou h ASP 113 Ca -0.27 -0.09 -0.60 0.00 0.02 0.00 0.00 57.03 56.09 1sou h ASP 113 Cb 1.07 0.11 -0.26 0.00 0.22 0.00 0.00 39.33 40.47 1sou h ASP 113 CO 1.12 0.04 -0.85 0.12 -1.72 0.00 0.00 179.24 177.95 1sou s PHE 114 N -3.61 1.87 -0.12 4.55 2.19 0.43 -0.91 117.98 122.38 1sou s PHE 114 Ca -0.10 -0.38 -0.12 0.00 0.33 0.00 0.00 56.93 56.65 1sou s PHE 114 Cb 0.01 -1.12 0.03 0.00 -1.31 0.00 0.00 43.02 40.63 1sou s PHE 114 CO 0.35 0.09 0.34 -1.50 1.83 0.00 0.00 175.22 176.33 1sou s ILE 115 N -0.80 0.01 -0.19 3.12 2.07 -0.55 -0.36 121.20 124.50 1sou s ILE 115 Ca 0.08 -0.05 -0.00 0.00 -1.41 0.00 0.00 60.65 59.27 1sou s ILE 115 Cb -0.09 -0.50 0.01 0.00 0.13 0.00 0.00 42.46 42.01 1sou s ILE 115 CO 0.02 -0.03 -0.16 0.00 -1.91 0.00 0.00 174.94 172.87 1sou s ALA 116 N 0.03 2.47 -0.19 1.50 0.00 0.51 -0.40 121.76 125.68 1sou s ALA 116 Ca -0.01 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 1sou s ALA 116 Cb -0.03 -1.32 0.01 0.00 0.00 0.00 0.00 23.12 21.78 1sou s ALA 116 CO 0.01 -0.35 -0.14 0.14 0.00 0.00 0.00 175.76 175.42 1sou s VAL 117 N 1.30 2.58 -0.58 0.00 -7.23 0.45 -2.35 120.40 114.57 1sou s VAL 117 Ca 0.04 -0.77 -0.28 0.00 -1.81 0.00 0.00 61.98 59.17 1sou s VAL 117 Cb -0.14 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1sou s VAL 117 CO -0.09 0.50 1.36 -2.84 -0.31 0.00 0.00 175.10 173.72 1sou s PRO 118 N 1.29 3.32 0.23 4.82 0.02 -1.26 -0.43 135.00 142.98 1sou s PRO 118 Ca 0.04 0.34 0.11 0.00 0.02 0.00 0.00 61.00 61.51 1sou s PRO 118 Cb -0.14 -4.11 -0.05 0.00 0.02 0.00 0.00 34.50 30.23 1sou s PRO 118 CO -0.08 -1.92 -0.21 0.20 -0.33 0.00 0.00 177.00 174.66 1sou s GLY 119 N 4.11 1.78 -0.20 0.52 0.00 -1.20 -4.74 107.32 107.58 1sou s GLY 119 Ca 0.49 -1.72 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 1sou s GLY 119 CO 0.24 -1.77 0.03 0.14 0.00 0.00 0.00 173.10 171.74 1sou s VAL 120 N -2.00 4.30 -0.02 1.40 1.01 -1.26 -4.71 120.40 119.12 1sou s VAL 120 Ca 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1sou s VAL 120 Cb -0.07 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.36 1sou s VAL 120 CO 0.12 0.42 0.04 0.00 0.00 0.00 0.00 175.10 175.68 1sou n ALA 121 N 4.13 -2.80 -2.40 5.51 0.00 -1.18 -3.98 120.51 119.79 1sou n ALA 121 Ca -0.17 0.51 -0.18 0.00 0.00 0.00 0.00 53.44 53.60 1sou n ALA 121 Cb 0.52 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 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 -0.28 1.57 0.23 0.00 0.08 -0.39 -1.14 117.98 118.06 1sou s PHE 122 Ca -0.04 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.47 1sou s PHE 122 Cb 0.00 -0.78 0.03 0.00 -0.57 0.00 0.00 43.02 41.71 1sou s PHE 122 CO 0.11 0.25 0.27 -0.40 -0.10 0.00 0.00 175.22 175.35 1sou n ASP 123 N 0.06 1.21 -0.78 1.36 5.68 -0.96 -0.43 116.55 122.68 1sou n ASP 123 Ca -0.12 -1.69 0.03 0.00 -0.50 0.00 0.00 54.79 52.52 1sou n ASP 123 Cb 0.59 -0.11 0.13 0.00 -1.14 0.00 0.00 41.12 40.59 1sou n ASP 123 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1sou n LEU 124 N 0.00 2.15 0.00 -2.12 4.77 -0.90 -3.27 117.00 117.62 1sou n LEU 124 Ca 0.04 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 1sou n LEU 124 Cb 0.25 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1sou n LEU 124 CO 0.16 0.37 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.75 1sou n GLU 125 N 0.24 3.15 0.00 3.23 1.02 -1.26 -5.03 120.64 121.99 1sou n GLU 125 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1sou n GLU 125 Cb 0.43 -0.67 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sou n GLY 126 N 1.42 1.22 3.73 0.62 0.00 -1.20 -4.88 105.19 106.10 1sou n GLY 126 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.65 -0.16 1.61 1.51 -1.26 -0.37 117.35 120.33 1sou s TYR 127 Ca 0.00 1.34 -0.16 0.00 -1.01 0.00 0.00 57.07 57.25 1sou s TYR 127 Cb 0.00 -2.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 1sou s TYR 127 CO 0.00 0.19 0.38 0.50 -1.11 0.00 0.00 175.55 175.51 1sou s ARG 128 N 0.36 4.26 0.16 -0.62 3.52 -0.79 -2.26 118.95 123.57 1sou s ARG 128 Ca 0.38 0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 56.05 1sou s ARG 128 Cb -0.19 -3.46 0.08 0.00 -1.56 0.00 0.00 34.95 29.82 1sou s ARG 128 CO 0.20 0.13 1.72 1.25 -0.81 0.00 0.00 175.30 177.79 1sou h LEU 129 N 6.98 -0.01 0.00 -0.88 5.85 -1.27 -3.39 115.31 122.59 1sou h LEU 129 Ca -0.40 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1sou h LEU 129 Cb 1.17 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1sou h LEU 129 CO 0.75 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.49 1sou n GLY 130 N -1.24 -3.78 0.35 3.75 0.00 -1.26 -4.97 105.19 98.04 1sou n GLY 130 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1sou n GLY 130 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sou n PHE 131 N -0.12 0.00 0.00 1.61 3.72 -1.26 -4.81 117.46 116.60 1sou n PHE 131 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1sou n PHE 131 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1sou n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sou n GLY 132 N 2.86 2.71 3.26 1.37 0.00 -1.26 -4.75 105.19 109.38 1sou n GLY 132 Ca 0.00 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 1sou n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sou s LYS 133 N 0.00 1.14 -0.30 1.61 3.01 -1.26 -4.82 119.74 119.12 1sou s LYS 133 Ca 0.00 -1.08 -0.02 0.00 -1.01 0.00 0.00 55.97 53.87 1sou s LYS 133 Cb 0.00 -1.34 -0.02 0.00 -1.01 0.00 0.00 37.83 35.46 1sou s LYS 133 CO 0.00 0.32 0.26 0.41 0.51 0.00 0.00 175.35 176.85 1sou n GLY 134 N 1.31 0.24 0.19 -3.33 0.00 -1.26 -5.01 105.19 97.32 1sou n GLY 134 Ca -0.19 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.27 -0.43 -0.36 1.61 0.05 -2.03 -3.46 116.97 112.07 1sou h TYR 135 Ca -0.16 -0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.45 1sou h TYR 135 Cb 1.08 0.14 -0.06 0.00 1.01 0.00 0.00 36.73 38.90 1sou h TYR 135 CO 0.08 -0.27 -0.14 0.66 -1.05 0.00 0.00 178.16 177.45 1sou n TYR 136 N -3.65 0.00 0.21 4.88 4.01 -1.26 -4.82 117.16 116.53 1sou n TYR 136 Ca -0.06 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.73 1sou n TYR 136 Cb 0.18 -2.42 0.45 0.00 -0.31 0.00 0.00 39.34 37.24 1sou n TYR 136 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1sou h ASP 137 N 0.00 0.00 -1.01 7.72 2.03 -1.97 -2.21 116.42 120.98 1sou h ASP 137 Ca -0.15 0.00 0.22 0.00 -0.73 0.00 0.00 57.03 56.36 1sou h ASP 137 Cb 1.07 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.45 1sou h ASP 137 CO 0.23 0.28 0.61 -0.09 -1.03 0.00 0.00 179.24 179.23 1sou h ARG 138 N 0.00 0.64 0.22 4.15 2.43 -2.01 0.13 114.38 119.94 1sou h ARG 138 Ca -0.00 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 58.80 1sou h ARG 138 Cb 0.51 -0.14 0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1sou h ARG 138 CO 0.04 0.42 -1.50 1.25 -1.51 0.00 0.00 179.97 178.68 1sou h LEU 139 N 0.66 0.73 -1.39 3.80 5.85 -1.81 -3.33 115.31 119.82 1sou h LEU 139 Ca 0.61 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1sou h LEU 139 Cb 1.08 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1sou h LEU 139 CO -0.42 1.70 0.00 -0.07 -0.34 0.00 0.00 178.44 179.32 1sou h LEU 140 N 0.06 0.00 -0.71 2.25 3.38 -0.80 -0.29 115.31 119.20 1sou h LEU 140 Ca -0.28 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.57 1sou h LEU 140 Cb 2.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.82 1sou h LEU 140 CO 0.23 0.00 -0.61 0.11 0.09 0.00 0.00 178.44 178.26 1sou h LYS 141 N 0.00 0.00 0.00 1.13 1.79 -0.93 -3.30 116.57 115.26 1sou h LYS 141 Ca 0.00 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.21 1sou h LYS 141 Cb 0.25 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.85 1sou h LYS 141 CO 0.00 0.61 -1.98 0.54 -1.08 0.00 0.00 179.45 177.54 1sou n ARG 142 N -3.70 0.66 -2.37 3.15 5.12 -0.22 -4.74 116.66 114.55 1sou n ARG 142 Ca -0.01 0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.60 1sou n ARG 142 Cb 0.63 -1.64 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 1sou n ARG 142 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1sou s VAL 143 N -2.74 3.62 -0.40 1.55 1.01 -0.59 -4.82 120.40 118.02 1sou s VAL 143 Ca -0.07 0.19 0.12 0.00 0.00 0.00 0.00 61.98 62.21 1sou s VAL 143 Cb 0.08 -4.59 0.38 0.00 0.00 0.00 0.00 36.38 32.25 1sou s VAL 143 CO 0.83 -1.54 0.86 1.17 0.00 0.00 0.00 175.10 176.43 1sou n LYS 144 N 9.25 1.66 0.00 2.72 4.81 -1.26 -4.89 118.16 130.44 1sou n LYS 144 Ca 0.13 -3.73 0.00 0.00 -0.87 0.00 0.00 58.31 53.84 1sou n LYS 144 Cb 0.50 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sou n GLY 145 N 0.03 2.93 3.52 3.14 0.00 -1.26 -4.98 105.19 108.57 1sou n GLY 145 Ca 0.24 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 4.07 -0.53 0.99 2.96 -0.09 -4.93 118.68 121.15 1sou s LEU 146 Ca 0.00 -1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 51.96 1sou s LEU 146 Cb 0.00 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.23 1sou s LEU 146 CO 0.00 -1.32 0.75 -0.75 -1.32 0.00 0.00 176.35 173.71 1sou s LYS 147 N 4.09 3.20 -0.22 1.98 2.20 -1.26 -1.48 119.74 128.26 1sou s LYS 147 Ca 0.42 -0.66 -0.08 0.00 -0.36 0.00 0.00 55.97 55.30 1sou s LYS 147 Cb -0.01 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.18 1sou s LYS 147 CO -0.09 -1.34 0.08 0.08 -0.36 0.00 0.00 175.35 173.72 1sou s VAL 148 N 3.17 4.62 -0.08 4.02 1.01 0.46 -0.41 120.40 133.19 1sou s VAL 148 Ca 0.21 -0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 1sou s VAL 148 Cb -0.17 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1sou s VAL 148 CO 0.15 0.39 0.56 -0.83 0.00 0.00 0.00 175.10 175.36 1sou s GLY 149 N 1.02 2.50 -0.28 4.51 0.00 0.53 -0.41 107.32 115.19 1sou s GLY 149 Ca 0.04 -0.06 -0.06 0.00 0.00 0.00 0.00 44.72 44.64 1sou s GLY 149 CO 0.03 0.87 0.06 0.14 0.00 0.00 0.00 173.10 174.20 1sou s VAL 150 N 0.47 3.93 0.34 1.40 1.01 0.43 -0.99 120.40 126.99 1sou s VAL 150 Ca 0.30 -0.61 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1sou s VAL 150 Cb -0.16 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.27 1sou s VAL 150 CO 0.14 0.15 0.72 0.00 0.00 0.00 0.00 175.10 176.11 1sou s ALA 151 N 1.51 -0.77 0.13 5.51 0.00 -1.05 -3.25 121.76 123.83 1sou s ALA 151 Ca 0.03 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1sou s ALA 151 Cb -0.17 0.80 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1sou s ALA 151 CO 0.02 -0.98 0.21 0.71 0.00 0.00 0.00 175.76 175.71 1sou s TYR 152 N -3.05 3.37 -0.49 0.00 2.02 -1.26 -4.05 117.35 113.88 1sou s TYR 152 Ca 0.15 0.10 0.15 0.00 -0.37 0.00 0.00 57.07 57.11 1sou s TYR 152 Cb -0.05 -1.64 0.78 0.00 -0.40 0.00 0.00 41.96 40.65 1sou s TYR 152 CO 0.10 0.53 1.46 0.45 -1.57 0.00 0.00 175.55 176.52 1sou n SER 153 N -0.21 0.38 0.23 2.29 2.88 -1.26 -0.75 113.62 117.16 1sou n SER 153 Ca -0.07 0.67 0.10 0.00 -1.33 0.00 0.00 58.87 58.24 1sou n SER 153 Cb 0.53 -0.72 0.46 0.00 -0.75 0.00 0.00 64.21 63.74 1sou n SER 153 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1sou h PHE 154 N 0.00 0.00 -0.43 0.66 0.04 -2.02 -2.61 116.94 112.59 1sou h PHE 154 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1sou h PHE 154 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1sou h PHE 154 CO 0.00 0.21 0.00 1.04 -0.60 0.00 0.00 178.31 178.96 1sou n GLN 155 N -3.36 3.11 -4.16 1.51 3.00 0.07 -4.91 117.38 112.65 1sou n GLN 155 Ca 0.00 -2.51 -0.33 0.00 -0.01 0.00 0.00 57.00 54.14 1sou n GLN 155 Cb 0.43 -1.60 -0.16 0.00 0.00 0.00 0.00 30.24 28.91 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1sou s VAL 156 N -1.70 2.40 0.28 5.09 1.01 -0.98 -1.26 120.40 125.24 1sou s VAL 156 Ca 0.37 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.53 1sou s VAL 156 Cb 0.24 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1sou s VAL 156 CO 0.17 0.51 0.07 0.49 0.00 0.00 0.00 175.10 176.35 1sou n PHE 157 N 4.56 0.10 0.00 5.22 3.72 0.43 -4.90 117.46 126.60 1sou n PHE 157 Ca -0.20 -1.31 -0.17 0.00 -0.05 0.00 0.00 57.45 55.71 1sou n PHE 157 Cb 0.50 -0.20 -0.14 0.00 -0.94 0.00 0.00 39.48 38.71 1sou n PHE 157 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1sou h GLU 158 N 0.00 0.19 -4.14 -1.08 -0.00 -1.90 -2.40 114.58 105.25 1sou h GLU 158 Ca -0.21 -0.32 -0.24 0.00 -0.00 0.00 0.00 59.36 58.58 1sou h GLU 158 Cb 0.68 0.12 -0.24 0.00 -0.00 0.00 0.00 28.75 29.31 1sou h GLU 158 CO 0.35 0.99 -0.73 1.03 -0.00 0.00 0.00 179.01 180.65 1sou s ARG 159 N -2.57 0.31 0.16 1.06 0.52 -1.26 -2.53 118.95 114.64 1sou s ARG 159 Ca -0.16 -0.40 0.03 0.00 -0.52 0.00 0.00 55.73 54.68 1sou s ARG 159 Cb 0.07 -0.13 -0.05 0.00 0.52 0.00 0.00 34.95 35.36 1sou s ARG 159 CO 0.79 0.02 -0.06 -0.51 0.02 0.00 0.00 175.30 175.57 1sou s LEU 160 N -0.84 2.39 -0.44 2.53 1.43 -1.26 -4.94 118.68 117.55 1sou s LEU 160 Ca -0.07 -1.08 -0.26 0.00 -1.03 0.00 0.00 54.13 51.69 1sou s LEU 160 Cb -0.06 -0.24 -0.07 0.00 0.03 0.00 0.00 46.19 45.86 1sou s LEU 160 CO -0.00 -0.43 2.38 -2.65 0.23 0.00 0.00 176.35 175.88 1sou n PRO 161 N -0.22 1.22 -4.20 1.29 -0.02 -1.26 -4.94 135.00 126.87 1sou n PRO 161 Ca -0.09 0.10 -0.35 0.00 -2.02 0.00 0.00 63.50 61.14 1sou n PRO 161 Cb 0.62 -3.41 -0.08 0.00 -0.02 0.00 0.00 33.50 30.60 1sou n PRO 161 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1sou s ARG 162 N 7.92 3.11 0.00 -0.52 3.52 -1.26 -4.95 118.95 126.78 1sou s ARG 162 Ca 0.99 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 56.24 1sou s ARG 162 Cb -0.20 -2.91 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 1sou s ARG 162 CO 0.28 0.71 0.00 -3.47 -0.81 0.00 0.00 175.30 172.01 1sou n ASP 163 N 1.92 1.19 0.11 -2.12 2.03 -1.26 -5.06 116.55 113.36 1sou n ASP 163 Ca -0.18 -0.35 -0.24 0.00 0.52 0.00 0.00 54.79 54.55 1sou n ASP 163 Cb 0.54 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.78 1sou n ASP 163 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sou h ALA 164 N 1.00 -0.06 -0.25 -1.67 0.00 -2.05 -3.28 119.26 112.95 1sou h ALA 164 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 54.91 53.78 1sou h ALA 164 Cb 0.00 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 1sou h ALA 164 CO 0.00 0.73 0.15 0.91 0.00 0.00 0.00 179.25 181.03 1sou n TRP 165 N -3.77 0.79 -3.49 0.00 8.01 -1.26 -4.84 117.44 112.89 1sou n TRP 165 Ca -0.19 -1.57 -0.42 0.00 -1.31 0.00 0.00 57.50 54.01 1sou n TRP 165 Cb 1.05 -0.97 -0.10 0.00 -2.01 0.00 0.00 31.31 29.28 1sou n TRP 165 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1sou s ASP 166 N 1.10 6.05 -0.37 -0.99 2.15 -1.24 -5.05 116.67 118.33 1sou s ASP 166 Ca 0.30 -0.85 -0.25 0.00 0.43 0.00 0.00 52.55 52.19 1sou s ASP 166 Cb 0.19 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.69 1sou s ASP 166 CO -0.03 -0.41 0.89 -0.63 -0.17 0.00 0.00 175.17 174.81 1sou s ILE 167 N 1.67 4.62 0.33 4.11 1.01 -1.26 -4.87 121.20 126.80 1sou s ILE 167 Ca 0.05 1.08 0.01 0.00 0.00 0.00 0.00 60.65 61.79 1sou s ILE 167 Cb -0.19 -4.31 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 1sou s ILE 167 CO 0.10 -0.53 0.53 -2.16 0.00 0.00 0.00 174.94 172.87 1sou s PRO 168 N 3.40 3.48 0.58 2.79 0.04 -1.26 -1.89 135.00 142.13 1sou s PRO 168 Ca 0.36 -0.39 0.08 0.00 0.04 0.00 0.00 61.00 61.10 1sou s PRO 168 Cb -0.12 -2.69 0.08 0.00 0.04 0.00 0.00 34.50 31.81 1sou s PRO 168 CO 0.19 0.18 0.68 1.33 0.04 0.00 0.00 177.00 179.42 1sou n VAL 169 N -1.74 0.00 -0.07 -0.36 0.24 0.50 -4.95 118.33 111.96 1sou n VAL 169 Ca -0.05 -2.04 -0.07 0.00 -2.04 0.00 0.00 64.34 60.13 1sou n VAL 169 Cb 0.56 -0.35 -0.09 0.00 -1.47 0.00 0.00 33.84 32.49 1sou n VAL 169 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1sou n ASP 170 N -2.16 2.18 -4.09 -1.34 9.92 0.45 -4.81 116.55 116.70 1sou n ASP 170 Ca 0.10 -0.02 -0.12 0.00 -0.53 0.00 0.00 54.79 54.22 1sou n ASP 170 Cb 0.62 0.51 -0.11 0.00 -0.64 0.00 0.00 41.12 41.50 1sou n ASP 170 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sou s VAL 171 N -2.30 0.58 -0.11 2.53 1.01 -0.47 -0.34 120.40 121.30 1sou s VAL 171 Ca -0.10 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1sou s VAL 171 Cb 0.04 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.51 1sou s VAL 171 CO 0.47 -0.54 -0.09 -0.22 0.00 0.00 0.00 175.10 174.72 1sou s LEU 172 N -2.04 1.32 -0.18 3.92 2.96 -0.01 -0.35 118.68 124.31 1sou s LEU 172 Ca -0.03 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.52 1sou s LEU 172 Cb -0.05 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 1sou s LEU 172 CO -0.01 -0.08 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.23 1sou s VAL 173 N 1.47 3.86 0.21 1.68 1.01 -0.16 -1.24 120.40 127.23 1sou s VAL 173 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1sou s VAL 173 Cb -0.13 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1sou s VAL 173 CO -0.06 0.45 0.05 0.35 0.00 0.00 0.00 175.10 175.89 1sou n THR 174 N 4.02 0.00 1.60 3.92 -2.24 -0.96 -2.54 114.28 118.09 1sou n THR 174 Ca -0.17 -1.15 0.15 0.00 -2.27 0.00 0.00 64.05 60.60 1sou n THR 174 Cb 0.52 0.35 0.66 0.00 -2.10 0.00 0.00 70.33 69.76 1sou n THR 174 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sou n GLU 175 N -0.50 1.18 -0.04 -0.78 -0.00 -1.26 -4.10 120.64 115.14 1sou n GLU 175 Ca -0.05 -0.48 -0.03 0.00 -0.00 0.00 0.00 57.16 56.60 1sou n GLU 175 Cb 0.30 -1.49 -0.01 0.00 -0.00 0.00 0.00 31.44 30.24 1sou n GLU 175 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1sou n LYS 176 N -0.49 0.26 -3.92 3.44 4.76 -1.26 -4.80 118.16 116.14 1sou n LYS 176 Ca 0.19 0.30 -0.10 0.00 -2.87 0.00 0.00 58.31 55.83 1sou n LYS 176 Cb 0.26 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.26 1sou n LYS 176 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1sou s ASN 177 N -4.83 0.12 -0.47 4.39 3.84 -1.26 -5.12 114.94 111.60 1sou s ASN 177 Ca -0.11 -1.06 -0.08 0.00 0.21 0.00 0.00 52.86 51.83 1sou s ASN 177 Cb 0.01 0.73 0.12 0.00 -0.55 0.00 0.00 41.25 41.56 1sou s ASN 177 CO 0.16 -1.41 0.33 0.68 -2.79 0.00 0.00 177.10 174.07 1sou s VAL 178 N -3.19 4.05 -0.30 -5.21 -7.23 -1.26 -2.27 120.40 104.97 1sou s VAL 178 Ca 0.19 -1.88 -0.10 0.00 -1.81 0.00 0.00 61.98 58.38 1sou s VAL 178 Cb -0.03 -3.68 -0.01 0.00 0.56 0.00 0.00 36.38 33.21 1sou s VAL 178 CO 0.12 -0.77 0.15 -0.60 -0.31 0.00 0.00 175.10 173.69 1sou s ARG 179 N 1.27 3.45 0.12 4.82 3.52 -0.37 -4.97 118.95 126.78 1sou s ARG 179 Ca 0.07 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 1sou s ARG 179 Cb -0.25 -3.57 -0.07 0.00 -1.56 0.00 0.00 34.95 29.50 1sou s ARG 179 CO -0.02 -0.37 1.15 1.03 -0.81 0.00 0.00 175.30 176.29 1sou s ARG 180 N 1.64 4.50 -0.10 5.12 0.52 -1.26 -0.83 118.95 128.54 1sou s ARG 180 Ca 0.05 1.75 0.14 0.00 -0.52 0.00 0.00 55.73 57.16 1sou s ARG 180 Cb -0.17 -3.31 0.46 0.00 0.52 0.00 0.00 34.95 32.45 1sou s ARG 180 CO 0.07 -0.11 1.38 1.28 0.02 0.00 0.00 175.30 177.94 1sou n LEU 181 N 3.18 3.61 -4.89 2.53 4.77 0.54 -4.92 117.00 121.82 1sou n LEU 181 Ca 0.06 -2.54 -0.35 0.00 -0.03 0.00 0.00 56.01 53.15 1sou n LEU 181 Cb 0.46 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1sou n LEU 181 CO 0.55 0.71 -0.17 -0.60 -1.33 0.00 0.00 177.39 176.55 1sou s ARG 182 N -1.98 3.42 0.79 3.23 6.06 -1.02 -4.89 118.95 124.57 1sou s ARG 182 Ca 0.35 -0.25 -0.10 0.00 -2.50 0.00 0.00 55.73 53.23 1sou s ARG 182 Cb 0.25 -3.12 0.07 0.00 0.06 0.00 0.00 34.95 32.21 1sou s ARG 182 CO 0.13 0.72 1.10 0.34 -2.50 0.00 0.00 175.30 175.09 1sou s ASP 183 N -1.57 4.31 -0.48 -2.12 -1.08 -1.26 -4.93 116.67 109.54 1sou s ASP 183 Ca 0.22 1.86 -0.00 0.00 -0.52 0.00 0.00 52.55 54.12 1sou s ASP 183 Cb -0.12 -2.52 0.42 0.00 -1.46 0.00 0.00 42.92 39.23 1sou s ASP 183 CO 0.13 -2.17 1.94 0.61 0.52 0.00 0.00 175.17 176.19 1sou n GLY 184 N -1.04 4.82 2.96 2.66 0.00 -1.26 -4.77 105.19 108.55 1sou n GLY 184 Ca 0.09 -1.53 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 1sou n GLY 184 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sou s ARG 185 N -2.94 0.28 0.00 1.61 1.70 -1.26 -4.98 118.95 113.36 1sou s ARG 185 Ca 0.50 0.59 0.00 0.00 -0.47 0.00 0.00 55.73 56.36 1sou s ARG 185 Cb 0.40 -0.41 0.00 0.00 -0.57 0.00 0.00 34.95 34.38 1sou s ARG 185 CO 0.02 -0.52 0.14 0.43 -1.08 0.00 0.00 175.30 174.29 1sou n SER 186 N 5.36 0.00 -0.91 -2.89 7.64 -1.26 -4.91 113.62 116.65 1sou n SER 186 Ca -0.05 -1.00 0.07 0.00 1.01 0.00 0.00 58.87 58.90 1sou n SER 186 Cb 0.50 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.92 1sou n SER 186 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sou n LEU 187 N 0.00 3.50 -0.36 -3.43 7.99 -1.26 -4.33 117.00 119.11 1sou n LEU 187 Ca 0.00 -2.26 0.13 0.00 -0.01 0.00 0.00 56.01 53.87 1sou n LEU 187 Cb 0.43 -0.37 0.35 0.00 -0.11 0.00 0.00 43.42 43.72 1sou n LEU 187 CO 0.00 0.76 0.66 -0.62 -1.51 0.00 0.00 177.39 176.68 1sou n GLU 188 N 0.55 1.13 -4.16 3.23 4.71 -1.26 -4.91 120.64 119.93 1sou n GLU 188 Ca 0.17 -0.72 -0.10 0.00 -0.01 0.00 0.00 57.16 56.50 1sou n GLU 188 Cb 0.61 -1.49 -0.10 0.00 -1.01 0.00 0.00 31.44 29.45 1sou n GLU 188 CO 0.00 0.00 0.00 -3.38 0.09 0.00 0.00 177.13 173.84 1sou s HIS 189 N -2.36 0.85 0.87 -0.32 -3.43 -1.26 -5.15 115.29 104.49 1sou s HIS 189 Ca 0.27 -1.00 -0.11 0.00 -0.80 0.00 0.00 55.06 53.42 1sou s HIS 189 Cb 0.20 -0.51 0.12 0.00 -1.43 0.00 0.00 32.58 30.95 1sou s HIS 189 CO 0.47 -0.25 1.11 -1.01 -2.00 0.00 0.00 174.74 173.06 1sou s HIS 190 N -3.75 2.11 0.00 0.38 3.76 -1.26 -5.00 115.29 111.53 1sou s HIS 190 Ca 0.14 1.57 0.00 0.00 -0.15 0.00 0.00 55.06 56.62 1sou s HIS 190 Cb 0.06 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.58 1sou s HIS 190 CO -0.04 -2.40 0.41 0.72 -0.85 0.00 0.00 174.74 172.58 1sou n HIS 191 N -3.93 0.00 -0.12 1.40 -0.00 -1.26 -4.70 115.22 106.62 1sou n HIS 191 Ca 0.09 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.58 1sou n HIS 191 Cb 0.53 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.43 1sou n HIS 191 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1sou n HIS 192 N -0.55 0.00 -1.84 4.41 -0.00 -1.26 -4.88 115.22 111.09 1sou n HIS 192 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1sou n HIS 192 Cb 0.00 -0.81 0.00 0.00 -0.12 0.00 0.00 29.99 29.06 1sou n HIS 192 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1sou n HIS 193 N -4.20 0.00 -1.54 1.57 -0.00 -1.26 -5.26 115.22 104.53 1sou n HIS 193 Ca -0.41 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.77 1sou n HIS 193 Cb 0.77 0.15 0.00 0.00 -0.12 0.00 0.00 29.99 30.79 1sou n HIS 193 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38