#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 -0.55 0.02 4.03 7.94 -1.26 -4.86 117.00 122.31 1sou n LEU 2 Ca 0.00 0.26 -0.06 0.00 -1.11 0.00 0.00 56.01 55.10 1sou n LEU 2 Cb 0.00 -2.10 0.14 0.00 0.53 0.00 0.00 43.42 41.99 1sou n LEU 2 CO 0.00 -0.76 0.62 0.11 -1.11 0.00 0.00 177.39 176.25 1sou h LYS 3 N 0.09 0.48 -0.18 1.96 1.79 -1.99 -1.90 116.57 116.81 1sou h LYS 3 Ca -0.21 -0.23 -0.10 0.00 -2.18 0.00 0.00 60.65 57.92 1sou h LYS 3 Cb 0.89 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1sou h LYS 3 CO 0.31 0.80 -0.28 1.03 -1.08 0.00 0.00 179.45 180.23 1sou h SER 4 N 0.40 0.55 -0.19 0.86 0.87 -1.95 -2.65 113.55 111.44 1sou h SER 4 Ca 0.04 -0.53 -0.12 0.00 -1.23 0.00 0.00 61.79 59.95 1sou h SER 4 Cb 0.87 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1sou h SER 4 CO 0.07 0.97 -0.30 -0.08 -0.53 0.00 0.00 176.83 176.97 1sou h GLU 5 N 0.15 0.68 0.01 2.24 4.81 -1.95 -0.08 114.58 120.44 1sou h GLU 5 Ca 0.02 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 58.95 1sou h GLU 5 Cb 0.86 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 1sou h GLU 5 CO 0.06 0.90 -0.06 1.25 -0.73 0.00 0.00 179.01 180.43 1sou h LEU 6 N 0.59 -0.16 -0.67 1.64 5.85 -1.34 0.18 115.31 121.40 1sou h LEU 6 Ca 0.07 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1sou h LEU 6 Cb 0.80 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1sou h LEU 6 CO 0.07 -0.09 0.33 -0.09 -0.34 0.00 0.00 178.44 178.32 1sou h ARG 7 N -0.11 0.96 -0.32 1.25 1.12 -1.32 -1.48 114.38 114.49 1sou h ARG 7 Ca 0.02 -0.14 -0.03 0.00 -1.11 0.00 0.00 59.98 58.72 1sou h ARG 7 Cb 0.13 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.90 1sou h ARG 7 CO -0.05 0.76 0.08 -0.22 -3.11 0.00 0.00 179.97 177.43 1sou h LYS 8 N 0.93 0.46 0.09 0.20 3.11 -0.57 -1.07 116.57 119.72 1sou h LYS 8 Ca 0.23 -0.07 -0.16 0.00 -2.81 0.00 0.00 60.65 57.84 1sou h LYS 8 Cb 0.11 -0.08 0.01 0.00 -1.00 0.00 0.00 32.23 31.26 1sou h LYS 8 CO -0.03 0.43 -0.76 -0.22 -2.81 0.00 0.00 179.45 176.05 1sou h LYS 9 N 0.46 0.20 -0.47 1.90 3.64 -0.29 -3.18 116.57 118.84 1sou h LYS 9 Ca 0.11 -0.34 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1sou h LYS 9 Cb 0.17 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1sou h LYS 9 CO -0.00 1.16 0.12 0.28 -2.27 0.00 0.00 179.45 178.74 1sou h VAL 10 N -0.55 1.20 -0.74 2.00 2.07 -1.24 -2.30 116.25 116.69 1sou h VAL 10 Ca -0.15 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.68 1sou h VAL 10 Cb 1.49 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1sou h VAL 10 CO 0.08 0.26 0.49 0.25 0.02 0.00 0.00 177.57 178.67 1sou h LEU 11 N 0.68 0.81 -0.84 2.57 5.85 -1.28 -2.72 115.31 120.38 1sou h LEU 11 Ca 0.15 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1sou h LEU 11 Cb 0.25 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1sou h LEU 11 CO -0.00 0.57 0.54 0.45 -0.34 0.00 0.00 178.44 179.65 1sou h HIS 12 N 0.94 1.01 -0.07 1.25 3.86 -1.38 -2.48 115.15 118.28 1sou h HIS 12 Ca 0.29 0.03 -0.23 0.00 -1.16 0.00 0.00 60.37 59.29 1sou h HIS 12 Cb -0.02 -0.33 0.02 0.00 1.06 0.00 0.00 27.41 28.13 1sou h HIS 12 CO -0.00 0.58 -0.86 -0.22 0.86 0.00 0.00 177.93 178.29 1sou h LYS 13 N 1.05 0.71 -0.26 2.45 3.64 -1.55 -2.91 116.57 119.70 1sou h LYS 13 Ca 0.34 -0.66 -0.16 0.00 -1.27 0.00 0.00 60.65 58.90 1sou h LYS 13 Cb 0.02 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1sou h LYS 13 CO -0.12 1.26 -0.47 0.07 -2.27 0.00 0.00 179.45 177.92 1sou h ARG 14 N 0.39 0.69 -0.00 1.90 0.11 -1.43 -2.46 114.38 113.58 1sou h ARG 14 Ca -0.09 -0.39 0.00 0.00 0.10 0.00 0.00 59.98 59.60 1sou h ARG 14 Cb 1.50 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.61 1sou h ARG 14 CO 0.17 1.01 -0.01 0.44 0.10 0.00 0.00 179.97 181.68 1sou n ILE 15 N -4.01 0.00 0.13 0.08 -5.35 -0.94 -2.48 119.36 106.79 1sou n ILE 15 Ca -0.03 -0.07 0.03 0.00 -0.27 0.00 0.00 62.75 62.41 1sou n ILE 15 Cb 0.57 -0.22 0.01 0.00 -1.74 0.00 0.00 39.64 38.26 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 0.62 0.00 -3.62 7.28 -0.00 -1.22 -3.45 115.58 115.19 1sou h ASN 16 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.77 1sou h ASN 16 Cb 0.17 0.00 0.07 0.00 -0.00 0.00 0.00 38.32 38.56 1sou h ASN 16 CO 0.00 0.49 0.74 -0.76 -0.00 0.00 0.00 177.43 177.89 1sou s LEU 17 N -6.35 4.38 0.00 0.34 1.43 -1.03 -5.02 118.68 112.43 1sou s LEU 17 Ca 0.03 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.89 1sou s LEU 17 Cb 0.08 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1sou s LEU 17 CO 0.75 -0.70 0.00 -0.24 0.23 0.00 0.00 176.35 176.39 1sou n SER 18 N 1.55 1.73 0.00 2.29 2.88 -1.26 -4.84 113.62 115.97 1sou n SER 18 Ca 0.04 -0.66 0.05 0.00 -1.33 0.00 0.00 58.87 56.97 1sou n SER 18 Cb 0.40 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.12 1sou n SER 18 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1sou n GLU 19 N 0.00 0.18 -0.03 -1.46 4.71 -1.26 -0.50 120.64 122.28 1sou n GLU 19 Ca 0.00 0.15 -0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1sou n GLU 19 Cb 0.00 -1.50 -0.00 0.00 -1.01 0.00 0.00 31.44 28.93 1sou n GLU 19 CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 1sou h GLU 20 N 0.00 0.00 0.03 3.49 4.81 -1.99 -3.31 114.58 117.61 1sou h GLU 20 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1sou h GLU 20 Cb 0.07 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.47 1sou h GLU 20 CO 0.00 0.00 -0.88 1.49 -0.73 0.00 0.00 179.01 178.89 1sou h GLU 21 N -0.50 0.55 0.00 1.92 4.57 -1.91 -3.24 114.58 115.97 1sou h GLU 21 Ca 0.00 -0.63 -0.05 0.00 -1.18 0.00 0.00 59.36 57.51 1sou h GLU 21 Cb 0.05 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1sou h GLU 21 CO 0.00 1.24 -0.23 -0.09 -1.18 0.00 0.00 179.01 178.76 1sou h ARG 22 N 0.12 0.00 -0.13 1.92 2.43 -1.04 -1.90 114.38 115.78 1sou h ARG 22 Ca -0.12 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1sou h ARG 22 Cb 1.57 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 1sou h ARG 22 CO 0.17 0.23 0.04 -0.09 -1.51 0.00 0.00 179.97 178.81 1sou h ARG 23 N 0.00 0.11 0.00 0.20 2.43 -1.64 0.14 114.38 115.62 1sou h ARG 23 Ca -0.00 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1sou h ARG 23 Cb 0.52 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1sou h ARG 23 CO 0.03 0.07 -0.50 0.07 -1.51 0.00 0.00 179.97 178.13 1sou h ARG 24 N 0.11 0.00 0.50 0.20 0.11 -1.64 -2.41 114.38 111.25 1sou h ARG 24 Ca 0.06 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.11 1sou h ARG 24 Cb 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 1sou h ARG 24 CO -0.06 0.50 -0.24 -0.07 0.10 0.00 0.00 179.97 180.20 1sou h LEU 25 N 0.00 -0.57 -1.02 0.08 3.38 -0.83 -2.02 115.31 114.33 1sou h LEU 25 Ca -0.01 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1sou h LEU 25 Cb 1.37 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 1sou h LEU 25 CO 0.07 -0.28 -0.32 0.28 0.09 0.00 0.00 178.44 178.27 1sou h SER 26 N -0.86 0.31 -0.28 -0.43 0.02 -0.81 -2.53 113.55 108.97 1sou h SER 26 Ca -0.07 -0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1sou h SER 26 Cb 0.59 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1sou h SER 26 CO 0.11 0.62 0.15 -0.08 -1.14 0.00 0.00 176.83 176.50 1sou h GLU 27 N 0.27 0.30 -0.97 3.45 4.22 -1.41 0.11 114.58 120.55 1sou h GLU 27 Ca 0.04 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.48 1sou h GLU 27 Cb 0.70 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 1sou h GLU 27 CO 0.05 0.20 0.64 0.87 -2.18 0.00 0.00 179.01 178.59 1sou h LYS 28 N 0.31 1.24 0.03 1.92 1.57 -1.12 -0.30 116.57 120.21 1sou h LYS 28 Ca 0.11 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1sou h LYS 28 Cb 0.02 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1sou h LYS 28 CO -0.07 0.82 -0.01 0.28 -0.57 0.00 0.00 179.45 179.90 1sou h VAL 29 N 1.27 1.10 -0.06 0.50 2.07 -0.94 -0.31 116.25 119.89 1sou h VAL 29 Ca 0.37 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1sou h VAL 29 Cb -0.08 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1sou h VAL 29 CO -0.10 0.10 -0.01 0.40 0.02 0.00 0.00 177.57 177.99 1sou h ILE 30 N -0.20 0.95 -0.52 4.57 2.04 -0.46 0.16 117.51 124.04 1sou h ILE 30 Ca -0.00 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1sou h ILE 30 Cb 0.19 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1sou h ILE 30 CO 0.01 0.00 0.09 0.28 0.00 0.00 0.00 178.15 178.53 1sou h SER 31 N 0.01 0.76 -0.30 1.72 0.02 -1.05 -0.18 113.55 114.54 1sou h SER 31 Ca 0.03 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1sou h SER 31 Cb 0.04 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1sou h SER 31 CO -0.06 0.77 -0.03 -1.13 -1.14 0.00 0.00 176.83 175.25 1sou h ASN 32 N 0.78 0.54 -0.79 3.07 -0.00 -0.68 -0.44 115.58 118.05 1sou h ASN 32 Ca 0.17 -0.33 -0.04 0.00 -0.00 0.00 0.00 56.30 56.10 1sou h ASN 32 Cb 0.34 -0.15 -0.04 0.00 -0.00 0.00 0.00 38.32 38.48 1sou h ASN 32 CO 0.00 0.74 0.35 0.25 -0.00 0.00 0.00 177.43 178.78 1sou h LEU 33 N 0.32 1.06 -0.25 0.34 5.85 -0.68 -1.06 115.31 120.88 1sou h LEU 33 Ca 0.08 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1sou h LEU 33 Cb 0.48 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1sou h LEU 33 CO 0.02 0.91 0.00 0.29 -0.34 0.00 0.00 178.44 179.32 1sou n LYS 34 N -4.30 0.20 0.16 1.25 5.02 -0.10 -2.12 118.16 118.28 1sou n LYS 34 Ca 0.08 0.27 0.12 0.00 -2.02 0.00 0.00 58.31 56.76 1sou n LYS 34 Cb 0.16 -1.79 0.11 0.00 -0.02 0.00 0.00 35.03 33.48 1sou n LYS 34 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1sou h SER 35 N 0.00 0.00 -2.63 4.39 0.02 0.16 -3.44 113.55 112.05 1sou h SER 35 Ca 0.00 -0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1sou h SER 35 Cb 0.56 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1sou h SER 35 CO 0.00 0.00 1.19 -0.22 -1.14 0.00 0.00 176.83 176.67 1sou s LEU 36 N -5.72 3.85 0.46 5.07 0.20 -0.70 -4.89 118.68 116.95 1sou s LEU 36 Ca 0.04 1.71 0.16 0.00 0.69 0.00 0.00 54.13 56.73 1sou s LEU 36 Cb 0.07 -3.53 1.11 0.00 -0.43 0.00 0.00 46.19 43.42 1sou s LEU 36 CO 0.72 -1.37 2.00 1.55 -0.29 0.00 0.00 176.35 178.96 1sou h PRO 37 N 11.43 0.30 0.00 0.98 0.13 -1.86 -1.23 132.00 141.75 1sou h PRO 37 Ca -0.36 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 1sou h PRO 37 Cb 1.17 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1sou h PRO 37 CO 0.99 0.20 -0.24 1.49 -0.23 0.00 0.00 178.00 180.21 1sou h GLU 38 N 0.30 0.00 -0.56 0.86 4.57 -1.92 -2.62 114.58 115.21 1sou h GLU 38 Ca 0.25 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.36 1sou h GLU 38 Cb 0.58 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.14 1sou h GLU 38 CO -0.06 0.24 0.10 0.35 -1.18 0.00 0.00 179.01 178.46 1sou h PHE 39 N 0.00 0.99 0.00 0.92 3.57 -1.48 0.39 116.94 121.33 1sou h PHE 39 Ca -0.00 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1sou h PHE 39 Cb 0.81 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.28 1sou h PHE 39 CO 0.00 0.87 -0.29 0.36 -2.23 0.00 0.00 178.31 177.01 1sou n LYS 40 N -4.35 0.02 0.00 1.11 2.85 -1.16 -3.39 118.16 113.24 1sou n LYS 40 Ca 0.02 0.01 0.11 0.00 -1.05 0.00 0.00 58.31 57.40 1sou n LYS 40 Cb 0.26 -1.51 0.04 0.00 -0.65 0.00 0.00 35.03 33.17 1sou n LYS 40 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1sou n LYS 41 N -1.54 0.06 -2.53 -1.58 0.00 -0.84 -4.94 118.16 106.79 1sou n LYS 41 Ca 0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 58.31 58.18 1sou n LYS 41 Cb 0.34 -1.50 0.04 0.00 0.00 0.00 0.00 35.03 33.91 1sou n LYS 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1sou n SER 42 N -1.43 1.62 0.07 3.14 2.88 0.07 -5.04 113.62 114.93 1sou n SER 42 Ca 0.05 -2.12 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1sou n SER 42 Cb 0.34 -0.24 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1sou n SER 42 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1sou n LYS 43 N -1.79 0.00 -2.91 -1.46 5.02 -1.26 -4.98 118.16 110.78 1sou n LYS 43 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 1sou n LYS 43 Cb 0.42 -0.10 -0.04 0.00 -0.02 0.00 0.00 35.03 35.29 1sou n LYS 43 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1sou s LYS 44 N -2.00 3.16 -0.21 1.97 1.02 -1.26 -0.41 119.74 122.01 1sou s LYS 44 Ca 0.00 -0.76 -0.02 0.00 0.02 0.00 0.00 55.97 55.21 1sou s LYS 44 Cb 0.00 -4.18 0.00 0.00 -0.52 0.00 0.00 37.83 33.14 1sou s LYS 44 CO 0.00 -1.64 -0.10 0.08 -0.92 0.00 0.00 175.35 172.77 1sou s VAL 45 N 3.73 2.89 -0.18 3.17 1.01 -0.42 -1.56 120.40 129.05 1sou s VAL 45 Ca 0.22 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 1sou s VAL 45 Cb -0.17 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1sou s VAL 45 CO 0.12 0.45 0.15 0.00 0.00 0.00 0.00 175.10 175.82 1sou s ALA 46 N 1.41 3.71 -0.06 5.51 0.00 0.52 -1.49 121.76 131.36 1sou s ALA 46 Ca 0.05 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.39 1sou s ALA 46 Cb -0.14 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 1sou s ALA 46 CO -0.07 0.23 -0.16 -0.51 0.00 0.00 0.00 175.76 175.25 1sou s LEU 47 N 0.14 2.64 0.00 0.00 1.02 -0.81 -0.42 118.68 121.25 1sou s LEU 47 Ca 0.10 -0.25 0.30 0.00 0.02 0.00 0.00 54.13 54.30 1sou s LEU 47 Cb -0.11 -1.53 1.68 0.00 0.02 0.00 0.00 46.19 46.25 1sou s LEU 47 CO -0.00 0.32 2.08 0.00 0.02 0.00 0.00 176.35 178.76 1sou n TYR 48 N 2.48 0.00 -0.58 0.29 9.36 -0.76 -4.34 117.16 123.62 1sou n TYR 48 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 1sou n TYR 48 Cb 0.52 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sou n PRO 50 N -0.49 1.62 0.29 0.00 -0.04 -1.26 -4.65 135.00 130.47 1sou n PRO 50 Ca 0.00 -0.80 -0.15 0.00 -0.04 0.00 0.00 63.50 62.51 1sou n PRO 50 Cb 0.00 -1.89 -0.08 0.00 -0.04 0.00 0.00 33.50 31.49 1sou n PRO 50 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 1sou h ILE 51 N 2.16 0.00 0.00 0.52 3.07 -1.96 -3.33 117.51 117.96 1sou h ILE 51 Ca 0.15 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.56 1sou h ILE 51 Cb 1.24 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.79 1sou h ILE 51 CO 0.27 0.00 0.00 0.29 -1.05 0.00 0.00 178.15 177.66 1sou n LYS 52 N -4.89 2.40 -4.26 0.16 5.02 -1.26 -4.96 118.16 110.37 1sou n LYS 52 Ca -0.11 -1.32 -0.34 0.00 -2.02 0.00 0.00 58.31 54.52 1sou n LYS 52 Cb 0.39 -0.94 -0.12 0.00 -0.02 0.00 0.00 35.03 34.34 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 -0.82 1.74 -0.00 0.72 0.00 -1.25 -4.94 107.32 102.76 1sou s GLY 53 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 43.91 1sou s GLY 53 CO 0.00 0.04 1.10 -1.84 0.00 0.00 0.00 173.10 172.39 1sou n GLU 54 N 3.74 1.39 -1.75 2.90 -0.00 -1.26 -4.49 120.64 121.16 1sou n GLU 54 Ca -0.17 -0.57 -0.40 0.00 -0.00 0.00 0.00 57.16 56.03 1sou n GLU 54 Cb 0.52 -1.15 -0.03 0.00 -0.00 0.00 0.00 31.44 30.78 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 -1.77 3.17 -1.30 3.84 1.01 -1.26 -4.85 120.40 119.23 1sou s VAL 55 Ca 0.10 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 1sou s VAL 55 Cb 0.06 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1sou s VAL 55 CO 0.07 -0.27 1.86 -0.67 0.00 0.00 0.00 175.10 176.09 1sou n ASP 56 N 13.16 4.49 -0.53 3.32 2.03 -1.26 -4.51 116.55 133.24 1sou n ASP 56 Ca 0.29 -2.88 0.13 0.00 0.52 0.00 0.00 54.79 52.85 1sou n ASP 56 Cb 0.50 -1.71 0.30 0.00 -0.72 0.00 0.00 41.12 39.49 1sou n ASP 56 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1sou n LEU 57 N 8.51 1.81 -0.20 -2.67 4.77 -1.26 -4.47 117.00 123.48 1sou n LEU 57 Ca 0.49 -0.60 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 1sou n LEU 57 Cb 0.45 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.59 1sou n LEU 57 CO 0.79 0.31 1.05 0.74 -1.33 0.00 0.00 177.39 178.96 1sou h THR 58 N 2.62 0.94 0.00 -5.08 2.02 -1.99 -1.91 112.91 109.51 1sou h THR 58 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1sou h THR 58 Cb 0.66 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1sou h THR 58 CO 0.00 0.11 0.00 -0.81 0.37 0.00 0.00 175.52 175.19 1sou n PRO 59 N -4.84 0.49 0.08 6.66 -0.04 -1.26 -1.82 135.00 134.26 1sou n PRO 59 Ca 0.07 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.64 1sou n PRO 59 Cb 0.17 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 1sou n PRO 59 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1sou n LEU 60 N -0.93 0.73 -0.24 1.53 7.94 -0.72 -4.29 117.00 121.03 1sou n LEU 60 Ca 0.10 0.24 0.02 0.00 -1.11 0.00 0.00 56.01 55.26 1sou n LEU 60 Cb 0.05 -0.08 0.14 0.00 0.53 0.00 0.00 43.42 44.06 1sou n LEU 60 CO 0.08 -0.12 1.04 -0.26 -1.11 0.00 0.00 177.39 177.02 1sou h PHE 61 N 0.00 0.57 -1.04 1.96 0.04 -1.47 -0.76 116.94 116.24 1sou h PHE 61 Ca 0.00 0.03 0.32 0.00 2.80 0.00 0.00 57.97 61.12 1sou h PHE 61 Cb 0.92 -0.15 -0.14 0.00 2.20 0.00 0.00 35.95 38.78 1sou h PHE 61 CO 0.00 0.17 0.61 -1.35 -0.60 0.00 0.00 178.31 177.14 1sou h PRO 62 N 0.54 0.34 0.06 1.51 0.11 -1.80 0.16 132.00 132.92 1sou h PRO 62 Ca 0.36 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.29 1sou h PRO 62 Cb 0.43 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.48 1sou h PRO 62 CO -0.30 0.22 -0.65 1.49 -0.21 0.00 0.00 178.00 178.55 1sou h GLU 63 N 0.35 0.34 -0.76 1.05 4.81 -1.45 -3.34 114.58 115.57 1sou h GLU 63 Ca 0.72 -0.44 0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1sou h GLU 63 Cb 1.68 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 31.14 1sou h GLU 63 CO -0.54 1.15 0.46 0.28 -0.73 0.00 0.00 179.01 179.62 1sou h VAL 64 N -0.27 1.02 0.00 0.32 2.07 -0.26 -1.35 116.25 117.78 1sou h VAL 64 Ca -0.10 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1sou h VAL 64 Cb 1.42 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1sou h VAL 64 CO 0.12 0.15 0.00 0.18 0.02 0.00 0.00 177.57 178.05 1sou n LEU 65 N -4.69 0.00 -0.09 2.57 4.77 0.44 -0.70 117.00 119.30 1sou n LEU 65 Ca 0.10 0.21 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 1sou n LEU 65 Cb 0.16 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1sou n LEU 65 CO 0.31 -0.11 -0.65 0.29 -1.33 0.00 0.00 177.39 175.90 1sou n LYS 66 N -1.21 0.52 -0.01 3.23 5.02 -0.53 -4.61 118.16 120.58 1sou n LYS 66 Ca 0.08 0.26 0.08 0.00 -2.02 0.00 0.00 58.31 56.71 1sou n LYS 66 Cb 0.10 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.52 1sou n LYS 66 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1sou n GLU 67 N -4.48 0.82 -4.00 1.97 0.28 -1.11 -5.02 120.64 109.11 1sou n GLU 67 Ca -0.14 -0.11 -0.23 0.00 -0.16 0.00 0.00 57.16 56.51 1sou n GLU 67 Cb 0.49 -1.34 -0.06 0.00 1.43 0.00 0.00 31.44 31.96 1sou n GLU 67 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1sou s LYS 68 N -2.95 2.33 -0.48 3.44 -0.14 0.13 -4.91 119.74 117.16 1sou s LYS 68 Ca -0.03 -1.69 -0.14 0.00 -1.36 0.00 0.00 55.97 52.75 1sou s LYS 68 Cb 0.11 -2.12 0.09 0.00 -1.68 0.00 0.00 37.83 34.23 1sou s LYS 68 CO 0.66 -0.06 0.39 -1.21 -0.76 0.00 0.00 175.35 174.36 1sou s GLU 69 N -3.93 2.85 -0.70 1.68 0.41 0.46 -4.55 118.70 114.92 1sou s GLU 69 Ca 0.42 -1.52 -0.27 0.00 -0.41 0.00 0.00 54.97 53.19 1sou s GLU 69 Cb 0.00 -4.08 0.02 0.00 -1.78 0.00 0.00 34.13 28.29 1sou s GLU 69 CO 0.24 -1.11 1.41 -1.17 -0.49 0.00 0.00 175.26 174.13 1sou s LEU 70 N 1.56 3.21 -0.36 1.80 2.96 -0.34 -1.30 118.68 126.22 1sou s LEU 70 Ca 0.04 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.54 1sou s LEU 70 Cb -0.26 -2.61 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1sou s LEU 70 CO 0.04 -1.93 0.59 -0.63 -1.32 0.00 0.00 176.35 173.10 1sou s ILE 71 N 6.45 4.93 -0.02 6.68 1.01 -0.56 -0.41 121.20 139.29 1sou s ILE 71 Ca 0.43 0.49 0.05 0.00 0.00 0.00 0.00 60.65 61.62 1sou s ILE 71 Cb -0.09 -4.04 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1sou s ILE 71 CO 0.17 -0.28 -0.15 -0.76 0.00 0.00 0.00 174.94 173.91 1sou s LEU 72 N 2.60 2.69 -0.02 2.97 1.43 -0.68 -1.93 118.68 125.75 1sou s LEU 72 Ca 0.22 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 1sou s LEU 72 Cb -0.15 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 1sou s LEU 72 CO 0.14 0.31 0.98 -2.84 0.23 0.00 0.00 176.35 175.18 1sou s PRO 73 N -0.98 4.53 -0.48 1.29 0.02 -1.26 -1.78 135.00 136.34 1sou s PRO 73 Ca 0.13 1.41 -0.10 0.00 0.02 0.00 0.00 61.00 62.45 1sou s PRO 73 Cb -0.11 -3.47 0.12 0.00 0.02 0.00 0.00 34.50 31.06 1sou s PRO 73 CO 0.02 -0.09 0.37 0.21 -0.33 0.00 0.00 177.00 177.18 1sou s LYS 74 N 1.18 2.58 -0.65 5.54 2.20 0.49 -4.81 119.74 126.27 1sou s LYS 74 Ca 0.51 -1.73 -0.26 0.00 -0.36 0.00 0.00 55.97 54.13 1sou s LYS 74 Cb -0.20 -3.99 -0.03 0.00 -1.51 0.00 0.00 37.83 32.10 1sou s LYS 74 CO 0.26 -1.20 1.88 0.08 -0.36 0.00 0.00 175.35 176.01 1sou s VAL 75 N 1.41 3.36 -0.10 4.02 1.01 -1.26 -0.47 120.40 128.37 1sou s VAL 75 Ca 0.05 0.12 -0.07 0.00 0.00 0.00 0.00 61.98 62.08 1sou s VAL 75 Cb -0.27 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1sou s VAL 75 CO 0.00 -0.91 0.25 -0.70 0.00 0.00 0.00 175.10 173.75 1sou s GLU 76 N 7.05 0.25 2.42 2.72 2.12 -0.38 -4.83 118.70 128.05 1sou s GLU 76 Ca 0.68 0.46 0.00 0.00 0.36 0.00 0.00 54.97 56.46 1sou s GLU 76 Cb -0.12 0.00 0.00 0.00 0.26 0.00 0.00 34.13 34.28 1sou s GLU 76 CO 0.17 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 1sou n GLY 77 N 3.64 1.32 0.05 -1.50 0.00 -1.26 -1.82 105.19 105.63 1sou n GLY 77 Ca -0.19 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1sou n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sou n ASN 78 N 5.25 0.00 -4.30 1.61 0.23 -1.26 -5.11 115.26 111.67 1sou n ASN 78 Ca 0.00 -1.06 -0.21 0.00 -0.53 0.00 0.00 54.58 52.78 1sou n ASN 78 Cb 0.00 -0.01 -0.11 0.00 -2.08 0.00 0.00 39.78 37.57 1sou n ASN 78 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1sou s GLU 79 N 0.00 1.19 -0.79 -3.83 2.02 -0.75 -4.80 118.70 111.74 1sou s GLU 79 Ca 0.00 -1.32 -0.16 0.00 0.02 0.00 0.00 54.97 53.51 1sou s GLU 79 Cb 0.00 -1.25 0.17 0.00 0.10 0.00 0.00 34.13 33.15 1sou s GLU 79 CO 0.00 0.26 0.82 0.96 0.02 0.00 0.00 175.26 177.32 1sou s ILE 80 N -1.89 5.24 -0.46 -1.63 -4.36 -1.26 -1.25 121.20 115.59 1sou s ILE 80 Ca 0.12 -1.94 -0.29 0.00 -0.26 0.00 0.00 60.65 58.29 1sou s ILE 80 Cb -0.06 -4.54 0.03 0.00 1.25 0.00 0.00 42.46 39.14 1sou s ILE 80 CO 0.05 -1.15 1.11 -0.55 0.24 0.00 0.00 174.94 174.65 1sou s SER 81 N 2.87 6.66 -0.12 4.36 0.15 0.37 -4.51 113.70 123.49 1sou s SER 81 Ca 0.19 0.50 -0.29 0.00 0.70 0.00 0.00 55.95 57.05 1sou s SER 81 Cb -0.13 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 1sou s SER 81 CO -0.06 -1.19 1.25 -0.76 1.20 0.00 0.00 173.24 173.69 1sou s LEU 82 N 4.29 4.22 0.11 3.45 1.43 -1.26 -0.38 118.68 130.54 1sou s LEU 82 Ca 0.47 1.76 0.10 0.00 -1.03 0.00 0.00 54.13 55.42 1sou s LEU 82 Cb -0.08 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1sou s LEU 82 CO 0.29 -0.70 -0.25 -0.31 0.23 0.00 0.00 176.35 175.61 1sou s TYR 83 N 3.03 2.12 0.00 0.29 2.02 -0.74 -0.40 117.35 123.68 1sou s TYR 83 Ca 0.56 -0.39 -0.21 0.00 -0.37 0.00 0.00 57.07 56.65 1sou s TYR 83 Cb -0.23 -1.17 -0.05 0.00 -0.40 0.00 0.00 41.96 40.10 1sou s TYR 83 CO 0.18 0.26 0.61 -0.98 -1.57 0.00 0.00 175.55 174.05 1sou s ARG 84 N -1.85 4.33 -0.09 -0.62 1.70 0.01 -1.68 118.95 120.75 1sou s ARG 84 Ca 0.11 0.77 0.02 0.00 -0.47 0.00 0.00 55.73 56.15 1sou s ARG 84 Cb -0.10 -3.34 0.01 0.00 -0.57 0.00 0.00 34.95 30.95 1sou s ARG 84 CO 0.05 0.36 -0.13 0.08 -1.08 0.00 0.00 175.30 174.57 1sou s VAL 85 N -0.18 1.30 0.00 4.99 1.01 0.45 -3.97 120.40 124.01 1sou s VAL 85 Ca 0.32 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1sou s VAL 85 Cb -0.18 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1sou s VAL 85 CO 0.18 0.40 0.35 1.57 0.00 0.00 0.00 175.10 177.60 1sou n HIS 86 N 4.10 0.00 -3.65 5.22 -0.00 -1.26 -1.20 115.22 118.43 1sou n HIS 86 Ca -0.20 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.37 1sou n HIS 86 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.43 1sou n HIS 86 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1sou s SER 87 N -0.10 -0.37 1.12 0.26 1.04 -1.26 -4.71 113.70 109.67 1sou s SER 87 Ca 0.00 0.28 -0.09 0.00 0.48 0.00 0.00 55.95 56.62 1sou s SER 87 Cb 0.00 0.42 0.14 0.00 0.10 0.00 0.00 66.02 66.68 1sou s SER 87 CO 0.00 -0.55 0.49 -0.81 0.98 0.00 0.00 173.24 173.35 1sou n PRO 88 N 0.97 -2.04 0.00 4.02 -0.04 -1.26 -4.08 135.00 132.56 1sou n PRO 88 Ca -0.20 -0.79 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1sou n PRO 88 Cb 0.57 -0.75 0.00 0.00 -0.04 0.00 0.00 33.50 33.28 1sou n PRO 88 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sou n ALA 89 N -3.87 0.00 0.82 0.55 0.00 -1.26 -4.59 120.51 112.17 1sou n ALA 89 Ca -0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.42 1sou n ALA 89 Cb 0.27 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.35 4.11 -0.04 0.00 1.43 -1.26 -0.63 118.68 119.94 1sou s LEU 91 Ca 0.18 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 1sou s LEU 91 Cb 0.10 -2.38 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 1sou s LEU 91 CO 0.21 -0.07 -0.19 -0.83 0.23 0.00 0.00 176.35 175.71 1sou s GLY 92 N 1.22 0.98 -0.87 -3.19 0.00 0.42 -4.87 107.32 101.01 1sou s GLY 92 Ca 0.15 -0.76 -0.23 0.00 0.00 0.00 0.00 44.72 43.88 1sou s GLY 92 CO 0.08 -0.43 1.27 0.14 0.00 0.00 0.00 173.10 174.15 1sou s VAL 93 N -0.04 4.07 0.00 1.40 1.01 -1.26 -1.06 120.40 124.52 1sou s VAL 93 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1sou s VAL 93 Cb -0.11 -4.91 0.00 0.00 0.00 0.00 0.00 36.38 31.35 1sou s VAL 93 CO 0.02 -1.77 0.00 0.61 0.00 0.00 0.00 175.10 173.96 1sou n GLY 94 N 5.98 0.00 0.00 4.51 0.00 -1.22 -4.99 105.19 109.47 1sou n GLY 94 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.46 0.00 -1.10 4.61 0.00 -1.26 -4.88 120.51 116.42 1sou n ALA 95 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1sou n ALA 95 Cb 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 1sou n ALA 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sou n PHE 96 N 0.00 1.35 -0.29 0.00 3.72 -1.26 -4.17 117.46 116.80 1sou n PHE 96 Ca 0.00 -2.30 0.00 0.00 -0.05 0.00 0.00 57.45 55.10 1sou n PHE 96 Cb 0.00 -2.02 0.00 0.00 -0.94 0.00 0.00 39.48 36.52 1sou n PHE 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sou n GLY 97 N 3.18 0.83 3.54 1.37 0.00 -1.26 -5.08 105.19 107.77 1sou n GLY 97 Ca 0.60 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.00 2.20 -0.64 -0.61 -4.36 -1.26 -5.08 121.20 109.45 1sou s ILE 98 Ca 0.00 -2.19 -0.03 0.00 -0.26 0.00 0.00 60.65 58.17 1sou s ILE 98 Cb 0.00 -2.66 0.16 0.00 1.25 0.00 0.00 42.46 41.21 1sou s ILE 98 CO 0.00 -0.19 0.46 0.00 0.24 0.00 0.00 174.94 175.44 1sou s MET 99 N -3.62 2.62 0.22 0.37 0.00 -1.26 -3.44 119.30 114.19 1sou s MET 99 Ca 0.33 -2.53 -0.14 0.00 0.00 0.00 0.00 55.69 53.35 1sou s MET 99 Cb 0.03 -3.77 -0.08 0.00 0.00 0.00 0.00 34.83 31.02 1sou s MET 99 CO 0.16 -1.18 0.61 -1.21 0.00 0.00 0.00 175.02 173.40 1sou s GLU 100 N -0.06 3.96 -0.12 3.16 8.01 -0.23 -4.43 118.70 129.00 1sou s GLU 100 Ca 0.17 0.50 -0.29 0.00 0.01 0.00 0.00 54.97 55.36 1sou s GLU 100 Cb -0.20 -2.73 -0.06 0.00 -4.31 0.00 0.00 34.13 26.83 1sou s GLU 100 CO -0.04 0.35 2.06 -1.25 0.01 0.00 0.00 175.26 176.39 1sou s PRO 101 N -2.45 3.59 -0.20 0.39 0.04 -1.26 -0.44 135.00 134.68 1sou s PRO 101 Ca 0.45 2.22 -0.18 0.00 0.04 0.00 0.00 61.00 63.52 1sou s PRO 101 Cb -0.13 -4.26 -0.15 0.00 0.04 0.00 0.00 34.50 30.00 1sou s PRO 101 CO 0.20 -1.57 0.07 0.28 0.04 0.00 0.00 177.00 176.01 1sou n VAL 102 N 6.75 1.51 -3.24 -0.36 0.31 0.20 -4.64 118.33 118.87 1sou n VAL 102 Ca 0.25 -0.01 -0.46 0.00 -0.01 0.00 0.00 64.34 64.11 1sou n VAL 102 Cb 0.43 -2.11 -0.02 0.00 -0.91 0.00 0.00 33.84 31.24 1sou n VAL 102 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1sou s GLU 103 N -2.36 3.77 0.29 5.55 -1.05 -1.22 -4.97 118.70 118.70 1sou s GLU 103 Ca -0.27 -2.52 -0.20 0.00 -0.15 0.00 0.00 54.97 51.82 1sou s GLU 103 Cb 0.06 -4.58 0.02 0.00 -0.44 0.00 0.00 34.13 29.19 1sou s GLU 103 CO 0.50 -1.39 0.71 0.20 0.95 0.00 0.00 175.26 176.23 1sou s GLY 104 N 2.26 -0.02 0.01 -3.83 0.00 -1.26 -4.81 107.32 99.66 1sou s GLY 104 Ca 0.25 -0.38 -0.18 0.00 0.00 0.00 0.00 44.72 44.41 1sou s GLY 104 CO -0.08 -0.14 0.52 -0.54 0.00 0.00 0.00 173.10 172.86 1sou s GLU 105 N -3.80 4.19 0.10 2.90 0.41 -1.25 -4.88 118.70 116.36 1sou s GLU 105 Ca 0.12 0.62 -0.30 0.00 -0.41 0.00 0.00 54.97 55.00 1sou s GLU 105 Cb -0.06 -3.29 -0.06 0.00 -1.78 0.00 0.00 34.13 28.94 1sou s GLU 105 CO 0.07 0.50 1.04 0.50 -0.49 0.00 0.00 175.26 176.88 1sou s ARG 106 N -0.58 4.61 -0.10 1.61 3.52 -1.26 -0.81 118.95 125.93 1sou s ARG 106 Ca 0.28 1.57 -0.01 0.00 -0.13 0.00 0.00 55.73 57.44 1sou s ARG 106 Cb -0.18 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 1sou s ARG 106 CO 0.16 0.06 -0.06 0.08 -0.81 0.00 0.00 175.30 174.73 1sou s VAL 107 N 0.25 3.78 0.24 7.11 1.01 0.46 -4.91 120.40 128.34 1sou s VAL 107 Ca 0.50 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 1sou s VAL 107 Cb -0.26 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.45 1sou s VAL 107 CO 0.31 0.56 0.68 0.54 0.00 0.00 0.00 175.10 177.19 1sou s ASN 108 N -0.34 6.89 0.60 3.32 4.22 -1.26 -4.57 114.94 123.80 1sou s ASN 108 Ca 0.05 1.27 0.29 0.00 -2.14 0.00 0.00 52.86 52.33 1sou s ASN 108 Cb -0.12 -2.36 1.63 0.00 1.28 0.00 0.00 41.25 41.67 1sou s ASN 108 CO 0.02 -0.04 2.04 -0.65 -2.04 0.00 0.00 177.10 176.44 1sou h PRO 109 N 3.01 0.00 0.00 3.55 0.11 -1.95 0.10 132.00 136.83 1sou h PRO 109 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sou h PRO 109 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1sou h PRO 109 CO 0.66 0.00 -0.02 1.49 -0.21 0.00 0.00 178.00 179.92 1sou h GLU 110 N 0.00 0.00 -0.54 1.05 4.81 -1.93 -2.63 114.58 115.34 1sou h GLU 110 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1sou h GLU 110 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1sou h GLU 110 CO -0.00 0.02 0.00 -3.47 -0.73 0.00 0.00 179.01 174.83 1sou n ASP 111 N -3.12 3.69 -4.52 1.04 2.03 0.35 -4.83 116.55 111.20 1sou n ASP 111 Ca 0.01 -2.00 -0.42 0.00 0.52 0.00 0.00 54.79 52.90 1sou n ASP 111 Cb 0.37 -0.35 -0.08 0.00 -0.72 0.00 0.00 41.12 40.34 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 -1.28 4.99 -0.01 5.18 1.01 -1.00 -4.94 120.40 124.35 1sou s VAL 112 Ca 0.43 0.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.20 1sou s VAL 112 Cb 0.24 -4.05 -0.16 0.00 0.00 0.00 0.00 36.38 32.40 1sou s VAL 112 CO 0.32 -0.39 1.11 0.44 0.00 0.00 0.00 175.10 176.59 1sou h ASP 113 N 8.67 -0.27 -4.34 3.32 3.32 -1.85 -3.21 116.42 122.07 1sou h ASP 113 Ca -0.27 -0.25 -0.59 0.00 0.02 0.00 0.00 57.03 55.94 1sou h ASP 113 Cb 1.11 0.07 -0.30 0.00 0.22 0.00 0.00 39.33 40.43 1sou h ASP 113 CO 0.81 0.17 -0.85 -0.36 -1.72 0.00 0.00 179.24 177.29 1sou s PHE 114 N -4.22 1.80 -0.22 4.55 0.40 -0.60 -0.43 117.98 119.27 1sou s PHE 114 Ca -0.14 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 55.80 1sou s PHE 114 Cb 0.02 -1.16 0.07 0.00 0.51 0.00 0.00 43.02 42.45 1sou s PHE 114 CO 0.53 -0.05 0.05 -1.50 0.70 0.00 0.00 175.22 174.94 1sou s ILE 115 N -0.40 0.57 -0.38 0.64 1.10 -0.61 -0.36 121.20 121.76 1sou s ILE 115 Ca 0.06 -0.70 -0.14 0.00 -0.51 0.00 0.00 60.65 59.36 1sou s ILE 115 Cb -0.08 -1.14 0.01 0.00 0.15 0.00 0.00 42.46 41.40 1sou s ILE 115 CO -0.00 -0.29 0.29 0.00 -2.11 0.00 0.00 174.94 172.82 1sou s ALA 116 N 1.82 3.49 -0.28 1.50 0.00 0.44 -0.56 121.76 128.17 1sou s ALA 116 Ca 0.01 -1.58 -0.04 0.00 0.00 0.00 0.00 51.96 50.35 1sou s ALA 116 Cb -0.17 -2.82 0.02 0.00 0.00 0.00 0.00 23.12 20.16 1sou s ALA 116 CO -0.12 -1.28 0.01 0.08 0.00 0.00 0.00 175.76 174.46 1sou s VAL 117 N 1.72 3.37 -0.93 0.00 1.01 0.04 -1.82 120.40 123.79 1sou s VAL 117 Ca 0.06 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1sou s VAL 117 Cb -0.18 -2.77 0.02 0.00 0.00 0.00 0.00 36.38 33.44 1sou s VAL 117 CO 0.10 0.08 1.59 -2.84 0.00 0.00 0.00 175.10 174.04 1sou s PRO 118 N 1.39 3.20 0.63 2.72 0.02 -1.26 -1.21 135.00 140.48 1sou s PRO 118 Ca 0.00 -0.69 -0.13 0.00 0.02 0.00 0.00 61.00 60.21 1sou s PRO 118 Cb -0.18 -5.09 -0.03 0.00 0.02 0.00 0.00 34.50 29.23 1sou s PRO 118 CO -0.01 -2.56 1.04 0.20 -0.33 0.00 0.00 177.00 175.34 1sou s GLY 119 N 5.88 1.80 0.10 0.52 0.00 -1.14 -4.88 107.32 109.60 1sou s GLY 119 Ca 0.53 0.10 -0.12 0.00 0.00 0.00 0.00 44.72 45.23 1sou s GLY 119 CO -0.03 0.40 1.26 -2.08 0.00 0.00 0.00 173.10 172.65 1sou h VAL 120 N -0.17 1.29 -3.54 1.40 2.07 -1.49 -3.45 116.25 112.37 1sou h VAL 120 Ca -0.45 -2.13 -0.10 0.00 0.82 0.00 0.00 66.70 64.84 1sou h VAL 120 Cb 1.20 2.19 -0.16 0.00 -1.52 0.00 0.00 31.29 33.00 1sou h VAL 120 CO 0.59 0.66 -0.34 0.00 0.02 0.00 0.00 177.57 178.50 1sou s ALA 121 N -3.52 -0.43 0.07 1.67 0.00 -0.66 -4.78 121.76 114.10 1sou s ALA 121 Ca -0.10 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1sou s ALA 121 Cb 0.08 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1sou s ALA 121 CO 0.91 -0.41 -0.08 -0.06 0.00 0.00 0.00 175.76 176.12 1sou s PHE 122 N -2.84 0.81 0.73 0.00 0.08 -0.15 -2.12 117.98 114.50 1sou s PHE 122 Ca -0.03 -0.62 -0.11 0.00 0.12 0.00 0.00 56.93 56.28 1sou s PHE 122 Cb 0.00 -0.47 0.03 0.00 -0.57 0.00 0.00 43.02 42.01 1sou s PHE 122 CO -0.05 -0.08 1.10 0.34 -0.10 0.00 0.00 175.22 176.43 1sou s ASP 123 N -2.07 5.16 0.47 1.36 -1.08 -0.89 -0.41 116.67 119.21 1sou s ASP 123 Ca -0.02 1.17 0.18 0.00 -0.52 0.00 0.00 52.55 53.36 1sou s ASP 123 Cb -0.05 -1.94 1.17 0.00 -1.46 0.00 0.00 42.92 40.63 1sou s ASP 123 CO -0.01 -1.53 1.98 -0.07 0.52 0.00 0.00 175.17 176.06 1sou h LEU 124 N -0.78 0.24 0.00 -1.34 3.38 -0.95 -3.10 115.31 112.76 1sou h LEU 124 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1sou h LEU 124 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1sou h LEU 124 CO 0.63 0.13 -0.20 -0.33 0.09 0.00 0.00 178.44 178.76 1sou h GLU 125 N 0.26 0.00 0.00 1.13 5.08 -1.89 -3.49 114.58 115.67 1sou h GLU 125 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1sou h GLU 125 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1sou h GLU 125 CO -0.06 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.36 1sou n GLY 126 N 1.73 -0.57 3.97 -3.84 0.00 -1.17 -4.82 105.19 100.49 1sou n GLY 126 Ca -0.03 0.21 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 3.38 0.29 1.61 1.51 -1.26 -0.43 117.35 122.45 1sou s TYR 127 Ca 0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1sou s TYR 127 Cb 0.00 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.11 1sou s TYR 127 CO 0.00 0.31 0.53 -0.98 -1.11 0.00 0.00 175.55 174.30 1sou s ARG 128 N -4.06 3.59 -0.30 -0.62 1.70 -1.26 -2.10 118.95 115.91 1sou s ARG 128 Ca 0.37 -0.10 -0.10 0.00 -0.47 0.00 0.00 55.73 55.42 1sou s ARG 128 Cb -0.09 -2.68 0.13 0.00 -0.57 0.00 0.00 34.95 31.74 1sou s ARG 128 CO 0.30 0.23 0.66 -1.17 -1.08 0.00 0.00 175.30 174.24 1sou s LEU 129 N -3.66 -1.13 0.00 -1.89 2.96 -0.90 -4.88 118.68 109.19 1sou s LEU 129 Ca 0.42 1.55 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 1sou s LEU 129 Cb -0.11 2.29 0.00 0.00 0.50 0.00 0.00 46.19 48.88 1sou s LEU 129 CO 0.31 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.73 1sou n GLY 130 N 5.40 -0.79 3.91 7.98 0.00 -1.26 -1.16 105.19 119.28 1sou n GLY 130 Ca -0.12 0.43 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 1sou n GLY 130 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sou s PHE 131 N 0.00 2.10 0.00 1.61 0.08 -1.26 -4.80 117.98 115.70 1sou s PHE 131 Ca 0.00 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.39 1sou s PHE 131 Cb 0.00 -2.09 0.00 0.00 -0.57 0.00 0.00 43.02 40.36 1sou s PHE 131 CO 0.00 -0.43 0.00 0.41 -0.10 0.00 0.00 175.22 175.10 1sou n GLY 132 N -1.75 1.27 2.50 4.36 0.00 -1.26 -5.02 105.19 105.29 1sou n GLY 132 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1sou n GLY 132 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sou n LYS 133 N -0.31 3.39 0.00 1.61 4.81 -1.26 -4.46 118.16 121.94 1sou n LYS 133 Ca 0.00 -2.43 0.00 0.00 -0.87 0.00 0.00 58.31 55.01 1sou n LYS 133 Cb 0.00 -3.00 0.00 0.00 0.02 0.00 0.00 35.03 32.05 1sou n LYS 133 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1sou n GLY 134 N 3.71 2.75 3.06 3.14 0.00 -1.26 -5.13 105.19 111.45 1sou n GLY 134 Ca 0.67 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 46.24 1sou n GLY 134 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sou n TYR 135 N 0.00 -2.56 0.00 1.61 4.01 -1.26 -4.84 117.16 114.12 1sou n TYR 135 Ca 0.00 0.75 0.00 0.00 -0.16 0.00 0.00 57.90 58.49 1sou n TYR 135 Cb 0.00 -1.33 0.00 0.00 -0.31 0.00 0.00 39.34 37.70 1sou n TYR 135 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1sou n TYR 136 N -2.45 0.00 -0.24 -0.72 4.01 -1.26 -4.53 117.16 111.96 1sou n TYR 136 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.89 1sou n TYR 136 Cb 0.28 0.00 0.44 0.00 -0.31 0.00 0.00 39.34 39.75 1sou n TYR 136 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1sou h ASP 137 N 0.00 0.53 -0.32 7.72 3.58 -1.88 0.16 116.42 126.21 1sou h ASP 137 Ca 0.00 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1sou h ASP 137 Cb 0.00 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 1sou h ASP 137 CO 0.00 0.25 0.20 -0.09 -2.88 0.00 0.00 179.24 176.72 1sou h ARG 138 N 0.55 0.45 0.12 0.28 9.65 -1.96 -2.18 114.38 121.29 1sou h ARG 138 Ca 0.44 -0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 59.05 1sou h ARG 138 Cb 0.89 -0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1sou h ARG 138 CO -0.19 0.32 -1.14 1.25 2.80 0.00 0.00 179.97 183.01 1sou h LEU 139 N 0.46 0.41 -1.53 3.80 6.46 -1.09 -3.10 115.31 120.72 1sou h LEU 139 Ca 0.12 -0.89 0.00 0.00 -0.12 0.00 0.00 57.88 56.99 1sou h LEU 139 Cb -0.01 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1sou h LEU 139 CO -0.02 1.51 0.00 -0.07 -0.62 0.00 0.00 178.44 179.24 1sou h LEU 140 N -0.35 0.00 0.00 2.25 4.07 -1.27 0.74 115.31 120.74 1sou h LEU 140 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1sou h LEU 140 Cb 1.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.43 1sou h LEU 140 CO 0.09 0.00 -0.71 0.50 -1.08 0.00 0.00 178.44 177.24 1sou h LYS 141 N 0.00 0.00 0.00 1.13 3.64 -1.47 -3.32 116.57 116.55 1sou h LYS 141 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1sou h LYS 141 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1sou h LYS 141 CO 0.00 0.00 -1.09 -0.09 -2.27 0.00 0.00 179.45 176.00 1sou h ARG 142 N 0.00 0.00 -6.55 1.90 9.65 -0.80 -3.46 114.38 115.12 1sou h ARG 142 Ca 0.00 0.00 -0.53 0.00 -1.10 0.00 0.00 59.98 58.35 1sou h ARG 142 Cb 0.78 0.00 0.04 0.00 -1.39 0.00 0.00 29.97 29.39 1sou h ARG 142 CO 0.00 0.09 0.96 0.08 2.80 0.00 0.00 179.97 183.91 1sou s VAL 143 N -3.22 2.69 -1.94 0.20 1.01 -0.68 -4.60 120.40 113.85 1sou s VAL 143 Ca -0.01 0.37 0.21 0.00 0.00 0.00 0.00 61.98 62.54 1sou s VAL 143 Cb 0.09 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1sou s VAL 143 CO 0.79 0.01 1.03 0.29 0.00 0.00 0.00 175.10 177.23 1sou n LYS 144 N 4.74 1.43 -0.18 2.72 5.02 -1.17 -4.99 118.16 125.72 1sou n LYS 144 Ca 0.15 -1.02 -0.03 0.00 -2.02 0.00 0.00 58.31 55.39 1sou n LYS 144 Cb 0.39 -1.41 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 1sou n LYS 144 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sou n GLY 145 N 1.33 -1.21 3.60 0.72 0.00 -1.21 -4.97 105.19 103.45 1sou n GLY 145 Ca 0.09 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.01 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 3.70 -0.47 0.99 2.96 0.43 -4.93 118.68 121.37 1sou s LEU 146 Ca 0.07 0.52 -0.24 0.00 -0.22 0.00 0.00 54.13 54.26 1sou s LEU 146 Cb -0.00 -3.52 0.03 0.00 0.50 0.00 0.00 46.19 43.20 1sou s LEU 146 CO 0.05 -1.19 0.88 -0.54 -1.32 0.00 0.00 176.35 174.23 1sou s LYS 147 N 4.29 3.46 -0.23 1.98 1.02 -1.26 -1.57 119.74 127.42 1sou s LYS 147 Ca 0.47 0.00 -0.07 0.00 0.02 0.00 0.00 55.97 56.39 1sou s LYS 147 Cb -0.08 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.25 1sou s LYS 147 CO 0.29 -1.23 0.05 0.08 -0.92 0.00 0.00 175.35 173.63 1sou s VAL 148 N 3.62 4.30 -0.27 3.17 1.01 0.27 -0.64 120.40 131.86 1sou s VAL 148 Ca 0.34 -0.18 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 1sou s VAL 148 Cb -0.11 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1sou s VAL 148 CO 0.24 0.37 0.48 -0.83 0.00 0.00 0.00 175.10 175.36 1sou s GLY 149 N 1.33 1.85 -0.27 4.51 0.00 0.27 -0.78 107.32 114.23 1sou s GLY 149 Ca 0.05 -0.69 -0.08 0.00 0.00 0.00 0.00 44.72 44.00 1sou s GLY 149 CO 0.03 1.17 0.10 0.14 0.00 0.00 0.00 173.10 174.54 1sou s VAL 150 N 2.25 4.34 0.32 1.40 1.01 -0.35 -0.42 120.40 128.95 1sou s VAL 150 Ca 0.19 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1sou s VAL 150 Cb -0.16 -3.12 0.05 0.00 0.00 0.00 0.00 36.38 33.16 1sou s VAL 150 CO 0.10 0.22 0.65 0.00 0.00 0.00 0.00 175.10 176.07 1sou n ALA 151 N 4.93 -1.49 -2.47 5.51 0.00 -0.95 -2.87 120.51 123.17 1sou n ALA 151 Ca -0.15 -1.03 -0.21 0.00 0.00 0.00 0.00 53.44 52.05 1sou n ALA 151 Cb 0.50 0.81 -0.04 0.00 0.00 0.00 0.00 19.45 20.73 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 -3.39 2.87 0.52 0.00 2.02 -1.26 -3.58 117.35 114.53 1sou s TYR 152 Ca 0.13 -0.33 0.21 0.00 -0.37 0.00 0.00 57.07 56.72 1sou s TYR 152 Cb -0.04 -1.83 1.31 0.00 -0.40 0.00 0.00 41.96 41.00 1sou s TYR 152 CO 0.09 0.16 2.04 0.77 -1.57 0.00 0.00 175.55 177.04 1sou h SER 153 N 1.24 0.04 -0.17 2.29 0.02 -1.95 0.03 113.55 115.05 1sou h SER 153 Ca -0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 1sou h SER 153 Cb 1.26 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1sou h SER 153 CO 0.58 0.03 0.08 -0.26 -1.14 0.00 0.00 176.83 176.12 1sou h PHE 154 N 0.05 0.29 -0.00 3.45 0.04 -2.01 -2.49 116.94 116.27 1sou h PHE 154 Ca 0.18 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1sou h PHE 154 Cb 0.66 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1sou h PHE 154 CO -0.00 0.24 -0.43 1.04 -0.60 0.00 0.00 178.31 178.56 1sou n GLN 155 N -4.44 0.35 -3.09 1.51 1.13 -0.02 -4.77 117.38 108.04 1sou n GLN 155 Ca 0.00 -0.21 -0.41 0.00 -1.94 0.00 0.00 57.00 54.44 1sou n GLN 155 Cb 0.13 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.92 1sou n GLN 155 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1sou s VAL 156 N -2.80 4.93 0.48 5.09 1.01 -0.94 -0.98 120.40 127.20 1sou s VAL 156 Ca 0.16 0.95 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1sou s VAL 156 Cb 0.18 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1sou s VAL 156 CO 0.64 -0.12 0.36 -0.36 0.00 0.00 0.00 175.10 175.62 1sou s PHE 157 N 2.63 2.12 -0.02 5.22 0.08 0.45 -4.94 117.98 123.52 1sou s PHE 157 Ca 0.26 -0.69 -0.21 0.00 0.12 0.00 0.00 56.93 56.41 1sou s PHE 157 Cb -0.15 -2.00 -0.13 0.00 -0.57 0.00 0.00 43.02 40.17 1sou s PHE 157 CO 0.11 -0.26 0.92 0.93 -0.10 0.00 0.00 175.22 176.83 1sou h GLU 158 N 0.95 -0.52 -2.94 0.44 5.08 -1.93 -2.06 114.58 113.61 1sou h GLU 158 Ca -0.39 0.04 -0.27 0.00 -1.00 0.00 0.00 59.36 57.73 1sou h GLU 158 Cb 1.28 0.12 -0.35 0.00 0.50 0.00 0.00 28.75 30.30 1sou h GLU 158 CO 0.59 -0.23 -0.60 0.50 -1.00 0.00 0.00 179.01 178.28 1sou s ARG 159 N -3.94 0.09 -0.07 2.33 3.52 -1.26 -2.31 118.95 117.31 1sou s ARG 159 Ca -0.12 0.57 -0.08 0.00 -0.13 0.00 0.00 55.73 55.98 1sou s ARG 159 Cb 0.01 -0.33 -0.04 0.00 -1.56 0.00 0.00 34.95 33.03 1sou s ARG 159 CO 0.40 -0.35 0.21 -0.51 -0.81 0.00 0.00 175.30 174.23 1sou s LEU 160 N 2.34 4.40 -0.32 -0.88 1.43 -1.26 -5.05 118.68 119.34 1sou s LEU 160 Ca 0.03 0.55 -0.29 0.00 -1.03 0.00 0.00 54.13 53.40 1sou s LEU 160 Cb -0.13 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 1sou s LEU 160 CO -0.08 0.36 1.41 -2.16 0.23 0.00 0.00 176.35 176.12 1sou s PRO 161 N -1.22 3.76 0.08 1.29 0.04 -1.26 -5.01 135.00 132.67 1sou s PRO 161 Ca 0.19 1.22 -0.02 0.00 0.04 0.00 0.00 61.00 62.44 1sou s PRO 161 Cb -0.13 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 1sou s PRO 161 CO 0.09 -1.32 0.26 1.03 0.04 0.00 0.00 177.00 177.10 1sou s ARG 162 N 4.56 3.51 0.00 4.56 0.52 -1.26 -5.06 118.95 125.78 1sou s ARG 162 Ca 0.61 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 1sou s ARG 162 Cb -0.17 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.31 1sou s ARG 162 CO 0.28 0.57 0.00 -0.25 0.02 0.00 0.00 175.30 175.92 1sou n ASP 163 N 0.32 0.00 0.00 0.23 8.00 -1.26 -5.05 116.55 118.80 1sou n ASP 163 Ca -0.05 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1sou n ASP 163 Cb 0.51 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1sou n ASP 163 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sou n ALA 164 N -1.35 1.27 -2.97 2.24 0.00 -1.26 -4.98 120.51 113.47 1sou n ALA 164 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1sou n ALA 164 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.55 2.27 -2.60 0.00 8.01 -1.26 -5.02 117.44 117.29 1sou n TRP 165 Ca 0.00 -2.56 -0.34 0.00 -1.31 0.00 0.00 57.50 53.29 1sou n TRP 165 Cb 0.00 -1.24 -0.04 0.00 -2.01 0.00 0.00 31.31 28.01 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 -1.78 6.50 -0.36 -0.99 2.15 -1.26 -5.04 116.67 115.91 1sou s ASP 166 Ca 0.32 1.89 -0.05 0.00 0.43 0.00 0.00 52.55 55.13 1sou s ASP 166 Cb 0.06 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.19 1sou s ASP 166 CO 0.09 -0.67 0.12 -0.63 -0.17 0.00 0.00 175.17 173.91 1sou s ILE 167 N -1.99 3.59 0.55 4.11 1.01 -1.26 -5.07 121.20 122.14 1sou s ILE 167 Ca 0.65 -1.39 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1sou s ILE 167 Cb -0.15 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 1sou s ILE 167 CO 0.19 -0.30 1.02 -2.84 0.00 0.00 0.00 174.94 173.00 1sou s PRO 168 N 1.33 3.68 0.44 2.79 0.02 -1.26 -3.98 135.00 138.01 1sou s PRO 168 Ca -0.00 1.06 -0.05 0.00 0.02 0.00 0.00 61.00 62.03 1sou s PRO 168 Cb -0.21 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1sou s PRO 168 CO 0.01 -0.50 0.74 0.14 -0.33 0.00 0.00 177.00 177.05 1sou s VAL 169 N -2.56 4.93 -0.12 3.83 -7.23 0.43 -5.00 120.40 114.68 1sou s VAL 169 Ca 0.61 0.16 -0.12 0.00 -1.81 0.00 0.00 61.98 60.82 1sou s VAL 169 Cb -0.13 -3.84 -0.26 0.00 0.56 0.00 0.00 36.38 32.72 1sou s VAL 169 CO 0.34 -0.74 0.43 -0.78 -0.31 0.00 0.00 175.10 174.04 1sou h ASP 170 N 0.52 0.37 -3.31 4.85 1.82 -1.20 -3.43 116.42 116.04 1sou h ASP 170 Ca -0.47 -0.86 -0.58 0.00 -0.39 0.00 0.00 57.03 54.72 1sou h ASP 170 Cb 1.20 -0.12 -0.37 0.00 0.68 0.00 0.00 39.33 40.72 1sou h ASP 170 CO 0.62 1.74 -0.81 -0.69 -1.61 0.00 0.00 179.24 178.49 1sou s VAL 171 N -2.51 1.40 -0.49 2.25 1.01 -0.42 -0.42 120.40 121.21 1sou s VAL 171 Ca -0.22 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 1sou s VAL 171 Cb 0.06 -1.46 0.09 0.00 0.00 0.00 0.00 36.38 35.06 1sou s VAL 171 CO 0.75 0.24 0.43 -0.22 0.00 0.00 0.00 175.10 176.30 1sou s LEU 172 N 1.52 5.78 -0.23 3.92 2.96 0.81 -0.56 118.68 132.87 1sou s LEU 172 Ca 0.01 -1.46 -0.10 0.00 -0.22 0.00 0.00 54.13 52.36 1sou s LEU 172 Cb -0.15 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1sou s LEU 172 CO -0.09 -0.72 0.15 -0.69 -1.32 0.00 0.00 176.35 173.69 1sou s VAL 173 N 1.65 5.36 0.00 1.68 1.01 0.44 -0.36 120.40 130.18 1sou s VAL 173 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1sou s VAL 173 Cb -0.26 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1sou s VAL 173 CO 0.06 0.36 0.00 0.35 0.00 0.00 0.00 175.10 175.87 1sou n THR 174 N 4.16 0.00 0.43 3.92 -2.24 -0.95 -2.25 114.28 117.35 1sou n THR 174 Ca -0.15 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.71 1sou n THR 174 Cb 0.52 -0.61 0.23 0.00 -2.10 0.00 0.00 70.33 68.37 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 -0.41 2.16 0.04 -0.78 -0.00 -1.23 -4.49 120.64 115.92 1sou n GLU 175 Ca 0.00 -1.80 0.00 0.00 -0.00 0.00 0.00 57.16 55.36 1sou n GLU 175 Cb 0.00 -1.40 0.00 0.00 -0.00 0.00 0.00 31.44 30.04 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 0.96 0.00 -4.16 3.44 5.02 -1.26 -4.55 118.16 117.61 1sou n LYS 176 Ca 0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 1sou n LYS 176 Cb 0.43 -0.36 -0.10 0.00 -0.02 0.00 0.00 35.03 34.98 1sou n LYS 176 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sou s ASN 177 N -5.37 1.09 -0.35 4.39 2.20 -1.26 -5.08 114.94 110.56 1sou s ASN 177 Ca 0.00 -1.01 -0.12 0.00 -0.94 0.00 0.00 52.86 50.79 1sou s ASN 177 Cb 0.00 0.10 -0.00 0.00 -2.00 0.00 0.00 41.25 39.35 1sou s ASN 177 CO 0.00 -0.48 0.23 -0.69 -2.94 0.00 0.00 177.10 173.23 1sou s VAL 178 N -3.65 5.09 -0.80 3.54 1.01 -1.26 -2.24 120.40 122.10 1sou s VAL 178 Ca 0.12 -0.39 -0.18 0.00 0.00 0.00 0.00 61.98 61.52 1sou s VAL 178 Cb 0.05 -3.67 0.13 0.00 0.00 0.00 0.00 36.38 32.90 1sou s VAL 178 CO -0.05 -0.07 0.94 -0.60 0.00 0.00 0.00 175.10 175.32 1sou s ARG 179 N 1.68 3.41 -0.22 2.72 6.06 0.51 -4.96 118.95 128.14 1sou s ARG 179 Ca 0.05 -1.67 -0.23 0.00 -2.50 0.00 0.00 55.73 51.38 1sou s ARG 179 Cb -0.18 -4.59 -0.01 0.00 0.06 0.00 0.00 34.95 30.23 1sou s ARG 179 CO 0.09 -1.64 0.77 1.03 -2.50 0.00 0.00 175.30 173.06 1sou s ARG 180 N 2.40 4.20 -0.06 5.12 0.52 -1.26 -0.14 118.95 129.73 1sou s ARG 180 Ca 0.24 0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 56.20 1sou s ARG 180 Cb -0.12 -3.62 -0.03 0.00 0.52 0.00 0.00 34.95 31.69 1sou s ARG 180 CO -0.03 -0.42 -0.19 1.28 0.02 0.00 0.00 175.30 175.96 1sou n LEU 181 N 5.66 1.53 0.00 2.53 4.77 0.44 -5.00 117.00 126.93 1sou n LEU 181 Ca 0.03 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 1sou n LEU 181 Cb 0.48 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1sou n LEU 181 CO 0.46 -0.44 0.00 -1.14 -1.33 0.00 0.00 177.39 174.94 1sou n ARG 182 N -4.00 0.00 -3.52 3.23 3.00 -0.80 -4.72 116.66 109.85 1sou n ARG 182 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.66 1sou n ARG 182 Cb 0.31 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.75 1sou n ARG 182 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1sou s ASP 183 N -2.09 -0.46 0.50 6.15 2.15 -1.26 -4.93 116.67 116.73 1sou s ASP 183 Ca 0.00 -0.12 -0.21 0.00 0.43 0.00 0.00 52.55 52.65 1sou s ASP 183 Cb 0.00 0.57 -0.07 0.00 -0.30 0.00 0.00 42.92 43.13 1sou s ASP 183 CO 0.00 -0.96 1.14 -0.83 -0.17 0.00 0.00 175.17 174.35 1sou s GLY 184 N -2.74 2.70 -0.04 2.66 0.00 -1.26 -4.92 107.32 103.72 1sou s GLY 184 Ca 0.04 0.87 0.08 0.00 0.00 0.00 0.00 44.72 45.71 1sou s GLY 184 CO -0.08 1.27 1.15 0.54 0.00 0.00 0.00 173.10 175.98 1sou n ARG 185 N -0.93 2.06 -1.74 2.90 3.00 -1.26 -4.87 116.66 115.82 1sou n ARG 185 Ca 0.10 -1.18 -0.40 0.00 -0.01 0.00 0.00 57.85 56.35 1sou n ARG 185 Cb 0.50 -1.46 -0.03 0.00 0.00 0.00 0.00 32.46 31.47 1sou n ARG 185 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1sou s SER 186 N -0.74 5.20 0.31 0.55 0.01 -1.26 -4.91 113.70 112.86 1sou s SER 186 Ca 0.21 1.27 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1sou s SER 186 Cb 0.13 -2.51 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 1sou s SER 186 CO 0.11 -2.26 0.36 -0.76 0.41 0.00 0.00 173.24 171.10 1sou s LEU 187 N 9.34 1.24 0.45 2.44 1.43 -1.26 -5.15 118.68 127.17 1sou s LEU 187 Ca 0.90 -1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 52.26 1sou s LEU 187 Cb -0.23 1.02 -0.10 0.00 0.03 0.00 0.00 46.19 46.91 1sou s LEU 187 CO 0.30 -1.14 1.00 -0.70 0.23 0.00 0.00 176.35 176.04 1sou s GLU 188 N -3.42 4.01 0.00 1.70 2.56 -1.26 -4.96 118.70 117.34 1sou s GLU 188 Ca 0.35 1.27 0.26 0.00 0.00 0.00 0.00 54.97 56.85 1sou s GLU 188 Cb 0.02 -2.17 0.77 0.00 2.00 0.00 0.00 34.13 34.75 1sou s GLU 188 CO 0.21 -0.24 1.58 1.58 -0.56 0.00 0.00 175.26 177.83 1sou n HIS 189 N -0.75 0.00 -1.29 5.30 -0.00 -1.26 -5.02 115.22 112.21 1sou n HIS 189 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.80 1sou n HIS 189 Cb 0.53 -0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 1sou n HIS 189 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1sou n HIS 190 N -1.04 -2.13 -1.34 1.57 8.25 -1.26 -4.76 115.22 114.50 1sou n HIS 190 Ca 0.10 1.28 -0.38 0.00 -0.26 0.00 0.00 57.72 58.46 1sou n HIS 190 Cb 0.33 -2.75 -0.02 0.00 1.12 0.00 0.00 29.99 28.67 1sou n HIS 190 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1sou n HIS 191 N 0.81 2.57 0.48 4.41 -0.00 -1.26 -4.29 115.22 117.94 1sou n HIS 191 Ca 0.00 -2.72 0.06 0.00 0.46 0.00 0.00 57.72 55.52 1sou n HIS 191 Cb 0.00 -2.29 0.03 0.00 -0.12 0.00 0.00 29.99 27.61 1sou n HIS 191 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1sou n HIS 192 N 5.03 0.00 0.00 1.57 -0.00 -1.26 -4.86 115.22 115.70 1sou n HIS 192 Ca 0.61 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.79 1sou n HIS 192 Cb 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 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 0.36 -0.23 -0.63 1.57 -0.00 -1.26 -5.31 115.22 109.72 1sou n HIS 193 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 1sou n HIS 193 Cb 0.27 0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 1sou n HIS 193 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92