#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 -1.94 -0.14 4.03 4.32 -1.26 -4.90 117.00 117.12 1sou n LEU 2 Ca 0.00 -0.07 -0.08 0.00 -0.02 0.00 0.00 56.01 55.84 1sou n LEU 2 Cb 0.00 -2.41 0.00 0.00 -1.62 0.00 0.00 43.42 39.40 1sou n LEU 2 CO 0.00 -0.07 1.04 0.11 -1.22 0.00 0.00 177.39 177.25 1sou h LYS 3 N -0.31 0.56 -0.26 3.23 1.79 -2.00 0.05 116.57 119.64 1sou h LYS 3 Ca -0.39 -0.04 -0.19 0.00 -2.18 0.00 0.00 60.65 57.85 1sou h LYS 3 Cb 1.29 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1sou h LYS 3 CO 0.45 0.38 -0.58 0.66 -1.08 0.00 0.00 179.45 179.28 1sou h SER 4 N 0.57 0.96 -0.24 0.86 4.64 -2.02 -3.23 113.55 115.09 1sou h SER 4 Ca 0.15 -0.55 -0.05 0.00 -0.47 0.00 0.00 61.79 60.87 1sou h SER 4 Cb -0.05 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.76 1sou h SER 4 CO -0.03 1.34 -0.03 -0.08 -0.87 0.00 0.00 176.83 177.15 1sou h GLU 5 N 0.62 0.45 -0.95 4.77 4.81 -1.89 -3.06 114.58 119.32 1sou h GLU 5 Ca -0.00 -0.16 0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1sou h GLU 5 Cb 1.20 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.46 1sou h GLU 5 CO 0.13 0.66 0.57 1.25 -0.73 0.00 0.00 179.01 180.88 1sou h LEU 6 N 0.20 0.80 0.46 1.64 5.85 -1.05 0.46 115.31 123.66 1sou h LEU 6 Ca 0.06 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1sou h LEU 6 Cb 0.48 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1sou h LEU 6 CO 0.02 0.39 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.20 1sou h ARG 7 N 0.86 -0.59 0.00 1.25 2.43 -1.56 -0.62 114.38 116.15 1sou h ARG 7 Ca 0.49 0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.65 1sou h ARG 7 Cb 0.57 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1sou h ARG 7 CO -0.30 -0.37 -0.26 -0.22 -1.51 0.00 0.00 179.97 177.31 1sou h LYS 8 N -0.67 0.00 0.27 0.20 3.64 -1.28 -0.30 116.57 118.43 1sou h LYS 8 Ca -0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1sou h LYS 8 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1sou h LYS 8 CO 0.10 0.26 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.19 1sou h LYS 9 N 0.00 -0.35 -0.10 1.90 1.63 0.12 -2.72 116.57 117.05 1sou h LYS 9 Ca -0.00 0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.68 1sou h LYS 9 Cb 0.66 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1sou h LYS 9 CO 0.03 0.00 -0.54 0.28 -3.45 0.00 0.00 179.45 175.77 1sou h VAL 10 N -0.84 1.36 0.00 2.00 2.07 -1.00 -2.46 116.25 117.38 1sou h VAL 10 Ca -0.04 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 1sou h VAL 10 Cb 0.51 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1sou h VAL 10 CO 0.06 0.54 -0.11 0.25 0.02 0.00 0.00 177.57 178.34 1sou h LEU 11 N 0.22 0.00 -0.75 2.57 5.85 -1.13 -1.51 115.31 120.57 1sou h LEU 11 Ca 0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1sou h LEU 11 Cb 1.02 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1sou h LEU 11 CO 0.09 0.11 -0.24 -0.74 -0.34 0.00 0.00 178.44 177.32 1sou h HIS 12 N 0.00 0.78 -0.11 1.25 2.76 -1.10 -2.64 115.15 116.09 1sou h HIS 12 Ca -0.00 -0.18 -0.10 0.00 -2.20 0.00 0.00 60.37 57.89 1sou h HIS 12 Cb 0.19 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1sou h HIS 12 CO 0.00 0.86 -0.37 0.87 -1.30 0.00 0.00 177.93 177.99 1sou h LYS 13 N 0.60 0.23 0.15 5.26 6.56 -1.24 -1.19 116.57 126.94 1sou h LYS 13 Ca 0.08 -0.10 0.02 0.00 -1.06 0.00 0.00 60.65 59.59 1sou h LYS 13 Cb 0.72 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.33 1sou h LYS 13 CO 0.06 0.58 -0.43 0.00 -2.06 0.00 0.00 179.45 177.59 1sou h ARG 14 N 0.20 -0.66 -0.40 3.15 2.47 -1.05 -2.81 114.38 115.27 1sou h ARG 14 Ca 0.02 0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1sou h ARG 14 Cb 0.75 0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 1sou h ARG 14 CO 0.06 -0.44 0.00 0.44 0.56 0.00 0.00 179.97 180.59 1sou n ILE 15 N -5.47 0.53 0.05 2.04 -5.35 -1.16 -3.90 119.36 106.11 1sou n ILE 15 Ca -0.08 -0.55 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1sou n ILE 15 Cb 0.39 0.30 -0.06 0.00 -1.74 0.00 0.00 39.64 38.53 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 2.48 0.00 -3.98 7.28 -0.00 -0.94 -3.46 115.58 116.95 1sou h ASN 16 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 56.30 55.76 1sou h ASN 16 Cb 0.56 0.00 0.12 0.00 -0.00 0.00 0.00 38.32 39.00 1sou h ASN 16 CO 0.00 0.56 0.69 -0.76 -0.00 0.00 0.00 177.43 177.93 1sou s LEU 17 N -5.91 4.13 0.55 0.34 1.43 -1.24 -4.96 118.68 113.02 1sou s LEU 17 Ca -0.02 2.90 -0.20 0.00 -1.03 0.00 0.00 54.13 55.78 1sou s LEU 17 Cb 0.08 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.33 1sou s LEU 17 CO 0.80 -1.13 1.24 -0.55 0.23 0.00 0.00 176.35 176.93 1sou s SER 18 N -0.52 5.42 0.25 2.29 0.15 -1.26 -4.71 113.70 115.31 1sou s SER 18 Ca 0.60 2.47 -0.03 0.00 0.70 0.00 0.00 55.95 59.69 1sou s SER 18 Cb -0.43 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 61.70 1sou s SER 18 CO 0.56 -1.45 1.80 -0.08 1.20 0.00 0.00 173.24 175.27 1sou h GLU 19 N 1.29 0.73 0.08 5.44 4.81 -1.96 0.14 114.58 125.11 1sou h GLU 19 Ca -0.50 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1sou h GLU 19 Cb 1.29 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1sou h GLU 19 CO 0.57 0.49 -0.04 1.49 -0.73 0.00 0.00 179.01 180.78 1sou h GLU 20 N 0.76 -0.11 -0.54 1.92 4.81 -1.99 0.25 114.58 119.68 1sou h GLU 20 Ca 0.42 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 1sou h GLU 20 Cb 0.44 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1sou h GLU 20 CO -0.28 0.15 0.35 0.93 -0.73 0.00 0.00 179.01 179.43 1sou h GLU 21 N -0.35 0.72 -0.36 1.92 3.07 -1.81 0.45 114.58 118.22 1sou h GLU 21 Ca -0.01 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1sou h GLU 21 Cb 0.30 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.02 1sou h GLU 21 CO 0.02 0.49 0.16 -0.09 -1.40 0.00 0.00 179.01 178.19 1sou h ARG 22 N 0.74 0.33 -0.33 2.33 1.12 -0.57 -0.48 114.38 117.50 1sou h ARG 22 Ca 0.20 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.04 1sou h ARG 22 Cb -0.07 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.80 1sou h ARG 22 CO -0.04 0.22 0.17 -0.09 -3.11 0.00 0.00 179.97 177.11 1sou h ARG 23 N 0.34 0.47 -0.20 0.20 9.65 -0.14 0.48 114.38 125.18 1sou h ARG 23 Ca 0.16 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1sou h ARG 23 Cb 0.09 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1sou h ARG 23 CO -0.13 0.42 0.13 -0.09 2.80 0.00 0.00 179.97 183.11 1sou h ARG 24 N 0.41 0.27 -0.44 0.20 2.43 -0.44 0.11 114.38 116.92 1sou h ARG 24 Ca 0.12 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.17 1sou h ARG 24 Cb 0.10 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1sou h ARG 24 CO -0.02 0.18 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.44 1sou h LEU 25 N 0.27 0.80 -0.10 3.80 3.38 -1.04 -2.68 115.31 119.75 1sou h LEU 25 Ca 0.07 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1sou h LEU 25 Cb -0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1sou h LEU 25 CO -0.02 0.94 0.02 -1.28 0.09 0.00 0.00 178.44 178.19 1sou h SER 26 N 0.73 0.01 -0.51 -0.43 0.87 -0.34 -2.16 113.55 111.71 1sou h SER 26 Ca 0.12 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1sou h SER 26 Cb 0.62 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1sou h SER 26 CO 0.04 0.02 0.34 -0.08 -0.53 0.00 0.00 176.83 176.62 1sou h GLU 27 N 0.06 0.65 -0.51 2.24 4.81 -0.64 -0.54 114.58 120.65 1sou h GLU 27 Ca 0.04 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1sou h GLU 27 Cb 0.03 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1sou h GLU 27 CO -0.06 0.43 0.03 0.87 -0.73 0.00 0.00 179.01 179.55 1sou h LYS 28 N 0.67 0.88 -0.33 1.92 1.57 -1.13 0.04 116.57 120.19 1sou h LYS 28 Ca 0.19 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1sou h LYS 28 Cb -0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1sou h LYS 28 CO -0.04 0.89 0.16 0.28 -0.57 0.00 0.00 179.45 180.17 1sou h VAL 29 N 0.75 1.15 -1.00 0.50 2.07 -0.64 -1.95 116.25 117.14 1sou h VAL 29 Ca 0.15 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1sou h VAL 29 Cb 0.48 0.84 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1sou h VAL 29 CO 0.02 0.16 0.65 0.40 0.02 0.00 0.00 177.57 178.82 1sou h ILE 30 N 0.39 1.16 -0.91 4.57 2.04 -0.95 -1.38 117.51 122.42 1sou h ILE 30 Ca 0.11 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1sou h ILE 30 Cb 0.10 -0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 35.94 1sou h ILE 30 CO -0.02 0.23 0.53 0.28 0.00 0.00 0.00 178.15 179.17 1sou h SER 31 N 1.24 1.11 -0.42 1.72 0.02 -0.52 0.13 113.55 116.84 1sou h SER 31 Ca 0.40 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.19 1sou h SER 31 Cb 0.03 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1sou h SER 31 CO -0.13 0.87 -0.08 -1.13 -1.14 0.00 0.00 176.83 175.21 1sou h ASN 32 N 1.26 0.80 -0.76 3.07 -0.00 -0.61 0.18 115.58 119.52 1sou h ASN 32 Ca 0.32 -0.35 -0.03 0.00 -0.00 0.00 0.00 56.30 56.24 1sou h ASN 32 Cb -0.02 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 38.04 1sou h ASN 32 CO -0.06 0.97 0.37 0.25 -0.00 0.00 0.00 177.43 178.96 1sou h LEU 33 N 0.62 0.99 -1.23 0.34 5.85 -0.81 -1.76 115.31 119.31 1sou h LEU 33 Ca 0.11 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1sou h LEU 33 Cb 0.61 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1sou h LEU 33 CO 0.04 0.84 -0.32 0.11 -0.34 0.00 0.00 178.44 178.77 1sou h LYS 34 N 1.07 0.10 0.00 1.25 1.79 -0.52 -2.59 116.57 117.67 1sou h LYS 34 Ca 0.26 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.64 1sou h LYS 34 Cb 0.11 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1sou h LYS 34 CO -0.03 0.42 -0.27 0.77 -1.08 0.00 0.00 179.45 179.26 1sou h SER 35 N 0.09 0.00 -2.30 0.86 0.02 -0.13 -3.43 113.55 108.66 1sou h SER 35 Ca 0.01 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.41 1sou h SER 35 Cb 0.62 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.17 1sou h SER 35 CO 0.05 0.27 1.30 -0.76 -1.14 0.00 0.00 176.83 176.54 1sou s LEU 36 N -6.88 4.11 0.34 5.07 1.43 -0.81 -4.88 118.68 117.06 1sou s LEU 36 Ca 0.00 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 55.48 1sou s LEU 36 Cb 0.10 -3.52 0.62 0.00 0.03 0.00 0.00 46.19 43.42 1sou s LEU 36 CO 0.65 -1.33 1.97 -0.65 0.23 0.00 0.00 176.35 177.23 1sou h PRO 37 N 11.86 0.76 -0.80 1.29 0.11 -1.87 -1.80 132.00 141.54 1sou h PRO 37 Ca -0.46 -0.07 0.06 0.00 0.11 0.00 0.00 66.00 65.64 1sou h PRO 37 Cb 1.23 -0.16 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 1sou h PRO 37 CO 0.95 0.56 0.52 0.93 -0.21 0.00 0.00 178.00 180.75 1sou h GLU 38 N 0.77 0.86 0.00 1.05 3.07 -1.94 0.56 114.58 118.95 1sou h GLU 38 Ca 0.20 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1sou h GLU 38 Cb 0.02 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1sou h GLU 38 CO -0.03 0.57 0.00 0.35 -1.40 0.00 0.00 179.01 178.50 1sou h PHE 39 N 0.89 0.00 0.09 4.33 3.57 -1.61 -0.66 116.94 123.55 1sou h PHE 39 Ca 0.34 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.49 1sou h PHE 39 Cb 0.20 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1sou h PHE 39 CO -0.00 0.00 -1.97 1.17 -2.23 0.00 0.00 178.31 175.28 1sou n LYS 40 N -2.64 0.71 0.07 1.11 4.81 -0.32 -4.49 118.16 117.41 1sou n LYS 40 Ca 0.03 0.30 -0.13 0.00 -0.87 0.00 0.00 58.31 57.64 1sou n LYS 40 Cb 0.35 -1.68 -0.13 0.00 0.02 0.00 0.00 35.03 33.58 1sou n LYS 40 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1sou h LYS 41 N -0.14 0.16 -5.86 1.64 3.64 -0.90 -3.43 116.57 111.68 1sou h LYS 41 Ca -0.44 -0.28 -0.59 0.00 -1.27 0.00 0.00 60.65 58.07 1sou h LYS 41 Cb 1.89 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 33.74 1sou h LYS 41 CO 0.00 1.08 0.41 0.45 -2.27 0.00 0.00 179.45 179.12 1sou s SER 42 N -6.91 6.89 0.00 4.20 0.15 -0.26 -4.91 113.70 112.86 1sou s SER 42 Ca -0.03 1.09 0.26 0.00 0.70 0.00 0.00 55.95 57.96 1sou s SER 42 Cb 0.08 -2.44 0.57 0.00 -1.71 0.00 0.00 66.02 62.52 1sou s SER 42 CO 0.85 -0.44 1.45 0.29 1.20 0.00 0.00 173.24 176.59 1sou n LYS 43 N 5.56 1.14 -2.92 5.44 5.02 -1.26 -4.65 118.16 126.49 1sou n LYS 43 Ca 0.05 -0.78 -0.44 0.00 -2.02 0.00 0.00 58.31 55.12 1sou n LYS 43 Cb 0.48 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.39 3.79 -0.18 1.97 -0.14 -1.26 -0.42 119.74 121.11 1sou s LYS 44 Ca 0.25 -2.07 0.01 0.00 -1.36 0.00 0.00 55.97 52.80 1sou s LYS 44 Cb 0.19 -4.99 0.03 0.00 -1.68 0.00 0.00 37.83 31.38 1sou s LYS 44 CO 0.49 -1.78 -0.16 0.08 -0.76 0.00 0.00 175.35 173.22 1sou s VAL 45 N 2.32 1.90 -0.07 3.17 1.01 -1.02 -0.91 120.40 126.80 1sou s VAL 45 Ca 0.37 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1sou s VAL 45 Cb -0.04 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1sou s VAL 45 CO -0.06 0.41 -0.09 0.00 0.00 0.00 0.00 175.10 175.36 1sou s ALA 46 N 1.33 2.87 0.04 5.51 0.00 0.43 -0.42 121.76 131.52 1sou s ALA 46 Ca 0.03 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.17 1sou s ALA 46 Cb -0.14 -1.17 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 1sou s ALA 46 CO -0.11 0.53 -0.26 -0.51 0.00 0.00 0.00 175.76 175.41 1sou s LEU 47 N -0.67 2.16 0.00 0.00 1.02 -0.85 -0.64 118.68 119.70 1sou s LEU 47 Ca 0.10 -0.58 0.26 0.00 0.02 0.00 0.00 54.13 53.93 1sou s LEU 47 Cb -0.11 -1.28 1.27 0.00 0.02 0.00 0.00 46.19 46.09 1sou s LEU 47 CO 0.01 0.26 1.87 0.00 0.02 0.00 0.00 176.35 178.51 1sou n TYR 48 N 1.81 0.00 -1.57 0.29 9.36 -0.66 -4.29 117.16 122.10 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 -0.33 0.00 0.00 -0.63 0.00 0.00 39.34 38.90 1sou n TYR 48 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sou s PRO 50 N -1.44 2.95 0.00 0.00 0.02 -1.26 -4.77 135.00 130.50 1sou s PRO 50 Ca 0.00 0.00 0.27 0.00 0.02 0.00 0.00 61.00 61.29 1sou s PRO 50 Cb 0.00 -4.45 0.80 0.00 0.02 0.00 0.00 34.50 30.87 1sou s PRO 50 CO 0.00 -2.49 1.60 0.44 -0.33 0.00 0.00 177.00 176.21 1sou n ILE 51 N 6.89 0.00 -4.25 2.83 -5.35 -1.26 -4.86 119.36 113.36 1sou n ILE 51 Ca 0.16 -0.11 -0.33 0.00 -0.27 0.00 0.00 62.75 62.21 1sou n ILE 51 Cb 0.50 0.31 -0.08 0.00 -1.74 0.00 0.00 39.64 38.63 1sou n ILE 51 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1sou s LYS 52 N -2.54 2.84 -1.41 6.28 3.01 -1.26 -5.03 119.74 121.63 1sou s LYS 52 Ca 0.24 -0.59 -0.15 0.00 -1.01 0.00 0.00 55.97 54.46 1sou s LYS 52 Cb 0.19 -2.71 0.04 0.00 -1.01 0.00 0.00 37.83 34.35 1sou s LYS 52 CO 0.53 0.63 2.10 0.41 0.51 0.00 0.00 175.35 179.53 1sou n GLY 53 N 1.35 3.90 0.06 -3.33 0.00 -1.26 -4.43 105.19 101.48 1sou n GLY 53 Ca -0.14 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1sou n GLY 53 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sou n GLU 54 N 6.72 0.00 -3.65 1.61 0.28 -1.26 -4.49 120.64 119.85 1sou n GLU 54 Ca 0.51 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 57.14 1sou n GLU 54 Cb 0.41 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.18 1sou n GLU 54 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1sou s VAL 55 N -0.04 5.32 -1.38 3.84 1.01 -1.26 -4.60 120.40 123.29 1sou s VAL 55 Ca 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 1sou s VAL 55 Cb 0.00 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.91 1sou s VAL 55 CO 0.00 0.32 2.12 0.47 0.00 0.00 0.00 175.10 178.01 1sou n ASP 56 N 4.48 3.94 0.01 3.32 8.00 -1.26 -4.51 116.55 130.53 1sou n ASP 56 Ca -0.15 -2.84 0.13 0.00 0.71 0.00 0.00 54.79 52.64 1sou n ASP 56 Cb 0.52 -1.64 0.40 0.00 -0.02 0.00 0.00 41.12 40.38 1sou n ASP 56 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1sou n LEU 57 N 6.73 0.32 0.17 0.64 4.77 -1.26 -4.05 117.00 124.32 1sou n LEU 57 Ca 0.51 0.24 -0.14 0.00 -0.03 0.00 0.00 56.01 56.59 1sou n LEU 57 Cb 0.40 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1sou n LEU 57 CO 0.88 0.05 0.70 0.74 -1.33 0.00 0.00 177.39 178.44 1sou h THR 58 N 0.00 0.74 0.00 -5.08 2.02 -1.91 -1.93 112.91 106.75 1sou h THR 58 Ca 0.00 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1sou h THR 58 Cb 0.52 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1sou h THR 58 CO 0.00 0.05 0.00 -2.65 0.37 0.00 0.00 175.52 173.29 1sou n PRO 59 N -5.21 0.13 0.06 6.66 -0.02 -1.26 -1.82 135.00 133.54 1sou n PRO 59 Ca -0.10 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 1sou n PRO 59 Cb 0.21 -1.50 0.14 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.02 2.45 5.85 -1.51 -3.37 115.31 118.71 1sou h LEU 60 Ca 0.00 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.53 1sou h LEU 60 Cb 0.12 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 1sou h LEU 60 CO 0.00 0.11 -0.16 -0.26 -0.34 0.00 0.00 178.44 177.79 1sou h PHE 61 N 0.00 -0.42 -0.73 1.25 0.04 -1.01 -1.63 116.94 114.44 1sou h PHE 61 Ca 0.00 0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.92 1sou h PHE 61 Cb 0.76 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 39.06 1sou h PHE 61 CO 0.00 -0.24 0.48 -1.35 -0.60 0.00 0.00 178.31 176.61 1sou h PRO 62 N -0.26 0.43 0.05 1.51 0.11 -1.78 0.14 132.00 132.21 1sou h PRO 62 Ca 0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1sou h PRO 62 Cb 0.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1sou h PRO 62 CO -0.17 0.29 -0.02 1.49 -0.21 0.00 0.00 178.00 179.37 1sou h GLU 63 N 0.45 -0.06 -0.59 1.05 4.22 -1.57 0.20 114.58 118.27 1sou h GLU 63 Ca 0.35 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.73 1sou h GLU 63 Cb 0.74 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1sou h GLU 63 CO -0.11 0.21 0.12 0.28 -2.18 0.00 0.00 179.01 177.33 1sou h VAL 64 N -0.33 1.25 0.00 0.32 2.07 -0.75 -2.07 116.25 116.75 1sou h VAL 64 Ca -0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.57 1sou h VAL 64 Cb 0.30 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1sou h VAL 64 CO 0.01 0.35 0.00 0.25 0.02 0.00 0.00 177.57 178.20 1sou h LEU 65 N 0.87 0.00 0.10 2.57 5.85 -0.65 0.14 115.31 124.20 1sou h LEU 65 Ca 0.18 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1sou h LEU 65 Cb 0.38 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1sou h LEU 65 CO 0.01 0.00 -0.05 0.50 -0.34 0.00 0.00 178.44 178.56 1sou h LYS 66 N 0.00 -0.13 0.00 1.25 1.63 -0.20 -3.42 116.57 115.70 1sou h LYS 66 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1sou h LYS 66 Cb 0.31 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1sou h LYS 66 CO 0.00 0.35 -0.91 -0.85 -3.45 0.00 0.00 179.45 174.59 1sou n GLU 67 N -4.90 3.63 -1.83 1.90 0.28 -1.19 -5.08 120.64 113.46 1sou n GLU 67 Ca -0.08 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.85 1sou n GLU 67 Cb 0.27 -0.95 0.01 0.00 1.43 0.00 0.00 31.44 32.20 1sou n GLU 67 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1sou n LYS 68 N -1.86 1.00 -3.76 3.44 5.02 0.49 -5.03 118.16 117.46 1sou n LYS 68 Ca 0.00 -1.01 -0.37 0.00 -2.02 0.00 0.00 58.31 54.91 1sou n LYS 68 Cb 0.45 -0.01 -0.13 0.00 -0.02 0.00 0.00 35.03 35.33 1sou n LYS 68 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1sou s GLU 69 N -2.78 3.57 -0.52 1.97 2.02 0.44 -4.35 118.70 119.05 1sou s GLU 69 Ca 0.16 -0.53 -0.22 0.00 0.02 0.00 0.00 54.97 54.40 1sou s GLU 69 Cb -0.01 -3.32 0.05 0.00 0.10 0.00 0.00 34.13 30.94 1sou s GLU 69 CO 0.10 -0.22 0.79 -1.17 0.02 0.00 0.00 175.26 174.78 1sou s LEU 70 N 1.60 4.47 -0.22 1.80 2.96 -0.84 -2.43 118.68 126.02 1sou s LEU 70 Ca 0.06 -0.56 -0.17 0.00 -0.22 0.00 0.00 54.13 53.24 1sou s LEU 70 Cb -0.15 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.82 1sou s LEU 70 CO 0.03 -1.06 0.44 -0.63 -1.32 0.00 0.00 176.35 173.81 1sou s ILE 71 N 3.34 5.16 0.01 6.68 1.01 0.44 -0.37 121.20 137.47 1sou s ILE 71 Ca 0.24 0.77 0.08 0.00 0.00 0.00 0.00 60.65 61.74 1sou s ILE 71 Cb -0.15 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1sou s ILE 71 CO 0.16 0.21 -0.26 -0.76 0.00 0.00 0.00 174.94 174.29 1sou s LEU 72 N 1.58 2.09 -0.42 2.97 1.43 -0.38 -2.01 118.68 123.95 1sou s LEU 72 Ca 0.20 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 1sou s LEU 72 Cb -0.15 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.77 1sou s LEU 72 CO 0.09 0.29 1.30 -2.84 0.23 0.00 0.00 176.35 175.42 1sou s PRO 73 N -0.85 3.68 -0.31 1.29 0.02 -1.26 -0.56 135.00 137.01 1sou s PRO 73 Ca 0.11 0.86 -0.09 0.00 0.02 0.00 0.00 61.00 61.90 1sou s PRO 73 Cb -0.10 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.46 1sou s PRO 73 CO 0.00 -1.44 0.13 0.21 -0.33 0.00 0.00 177.00 175.58 1sou s LYS 74 N 4.66 3.20 -0.67 5.54 2.36 0.43 -4.93 119.74 130.32 1sou s LYS 74 Ca 0.56 -0.80 -0.26 0.00 -2.55 0.00 0.00 55.97 52.92 1sou s LYS 74 Cb -0.12 -3.51 0.04 0.00 -1.05 0.00 0.00 37.83 33.19 1sou s LYS 74 CO 0.31 -0.45 1.16 0.08 1.55 0.00 0.00 175.35 178.00 1sou s VAL 75 N 1.57 3.97 -1.05 4.02 1.01 -1.26 -0.73 120.40 127.92 1sou s VAL 75 Ca 0.04 0.35 -0.16 0.00 0.00 0.00 0.00 61.98 62.21 1sou s VAL 75 Cb -0.17 -4.79 0.16 0.00 0.00 0.00 0.00 36.38 31.58 1sou s VAL 75 CO 0.05 -1.59 1.24 -0.70 0.00 0.00 0.00 175.10 174.09 1sou s GLU 76 N 5.06 3.84 3.15 2.72 2.56 0.35 -4.86 118.70 131.52 1sou s GLU 76 Ca 0.34 -2.23 0.00 0.00 0.00 0.00 0.00 54.97 53.07 1sou s GLU 76 Cb -0.10 -4.93 0.00 0.00 2.00 0.00 0.00 34.13 31.10 1sou s GLU 76 CO 0.17 -1.71 0.00 0.41 -0.56 0.00 0.00 175.26 173.56 1sou n GLY 77 N 4.66 1.32 0.03 -1.50 0.00 -1.26 -1.50 105.19 106.95 1sou n GLY 77 Ca 0.29 0.25 0.04 0.00 0.00 0.00 0.00 46.02 46.60 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 6.27 0.52 -4.16 1.61 3.02 -1.26 -4.94 115.26 116.32 1sou n ASN 78 Ca 0.00 -0.76 -0.35 0.00 -0.03 0.00 0.00 54.58 53.44 1sou n ASN 78 Cb 0.00 0.91 -0.14 0.00 -0.61 0.00 0.00 39.78 39.94 1sou n ASN 78 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1sou s GLU 79 N -1.69 2.38 0.06 3.52 2.12 -0.56 -5.09 118.70 119.43 1sou s GLU 79 Ca 0.04 -1.31 -0.24 0.00 0.36 0.00 0.00 54.97 53.83 1sou s GLU 79 Cb 0.06 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.23 1sou s GLU 79 CO 0.32 -0.64 0.72 -1.50 -0.54 0.00 0.00 175.26 173.63 1sou s ILE 80 N 1.23 4.71 0.02 -3.70 2.07 -1.26 -0.50 121.20 123.77 1sou s ILE 80 Ca -0.05 1.54 -0.01 0.00 -1.41 0.00 0.00 60.65 60.73 1sou s ILE 80 Cb -0.20 -4.07 -0.02 0.00 0.13 0.00 0.00 42.46 38.31 1sou s ILE 80 CO -0.02 0.41 -0.02 -0.44 -1.91 0.00 0.00 174.94 172.97 1sou s SER 81 N -0.32 0.21 -0.37 4.50 0.01 0.09 -4.92 113.70 112.90 1sou s SER 81 Ca 0.36 -0.45 -0.25 0.00 1.31 0.00 0.00 55.95 56.91 1sou s SER 81 Cb -0.20 0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.14 1sou s SER 81 CO 0.22 -0.29 0.90 -0.76 0.41 0.00 0.00 173.24 173.72 1sou s LEU 82 N -1.37 4.02 -0.22 2.44 2.01 -1.23 -0.43 118.68 123.90 1sou s LEU 82 Ca -0.15 0.53 -0.15 0.00 0.01 0.00 0.00 54.13 54.38 1sou s LEU 82 Cb -0.09 -3.22 -0.04 0.00 0.01 0.00 0.00 46.19 42.85 1sou s LEU 82 CO -0.01 -0.84 0.34 -0.31 1.01 0.00 0.00 176.35 176.54 1sou s TYR 83 N 3.42 3.35 -0.63 0.29 1.51 0.28 -0.36 117.35 125.19 1sou s TYR 83 Ca 0.37 0.50 -0.25 0.00 -1.01 0.00 0.00 57.07 56.68 1sou s TYR 83 Cb -0.12 -2.47 0.05 0.00 -0.11 0.00 0.00 41.96 39.30 1sou s TYR 83 CO 0.19 -0.02 1.07 0.50 -1.11 0.00 0.00 175.55 176.18 1sou s ARG 84 N 1.33 3.26 -0.41 -0.62 3.52 -0.64 -1.24 118.95 124.15 1sou s ARG 84 Ca 0.16 -0.35 -0.22 0.00 -0.13 0.00 0.00 55.73 55.19 1sou s ARG 84 Cb -0.15 -4.13 0.02 0.00 -1.56 0.00 0.00 34.95 29.13 1sou s ARG 84 CO 0.07 -1.78 0.72 0.08 -0.81 0.00 0.00 175.30 173.58 1sou s VAL 85 N 4.58 4.76 -0.52 7.11 1.01 0.50 -4.21 120.40 133.64 1sou s VAL 85 Ca 0.31 0.46 0.06 0.00 0.00 0.00 0.00 61.98 62.81 1sou s VAL 85 Cb -0.12 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.04 1sou s VAL 85 CO 0.16 -0.55 0.47 0.00 0.00 0.00 0.00 175.10 175.18 1sou n HIS 86 N 6.40 0.00 -4.72 5.22 1.44 -1.26 -1.99 115.22 120.32 1sou n HIS 86 Ca 0.01 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.39 1sou n HIS 86 Cb 0.48 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.43 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 -1.00 3.46 0.62 4.39 0.01 -1.26 -5.01 113.70 114.91 1sou s SER 87 Ca 0.05 -0.50 0.38 0.00 1.31 0.00 0.00 55.95 57.18 1sou s SER 87 Cb 0.05 -1.51 2.10 0.00 0.21 0.00 0.00 66.02 66.86 1sou s SER 87 CO 0.15 0.11 2.29 -0.65 0.41 0.00 0.00 173.24 175.55 1sou h PRO 88 N 7.14 0.00 -0.00 12.44 0.11 -1.93 -1.70 132.00 148.05 1sou h PRO 88 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1sou h PRO 88 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1sou h PRO 88 CO 0.55 0.01 -0.05 0.00 -0.21 0.00 0.00 178.00 178.29 1sou n ALA 89 N -2.18 2.63 1.72 -0.75 0.00 -1.26 -3.37 120.51 117.30 1sou n ALA 89 Ca -0.03 -0.20 0.13 0.00 0.00 0.00 0.00 53.44 53.34 1sou n ALA 89 Cb 0.10 -1.42 0.64 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.82 4.00 0.13 0.00 1.43 -1.22 -0.68 118.68 120.53 1sou s LEU 91 Ca 0.38 0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.49 1sou s LEU 91 Cb 0.19 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1sou s LEU 91 CO 0.31 0.17 0.35 -0.83 0.23 0.00 0.00 176.35 176.57 1sou s GLY 92 N 0.41 -0.07 -1.05 -3.19 0.00 -0.28 -4.88 107.32 98.25 1sou s GLY 92 Ca 0.05 -0.31 -0.17 0.00 0.00 0.00 0.00 44.72 44.29 1sou s GLY 92 CO -0.01 -0.49 1.30 0.14 0.00 0.00 0.00 173.10 174.04 1sou s VAL 93 N -3.85 4.72 0.00 1.40 1.01 -1.26 -0.65 120.40 121.78 1sou s VAL 93 Ca 0.06 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.16 1sou s VAL 93 Cb 0.02 -4.87 0.00 0.00 0.00 0.00 0.00 36.38 31.53 1sou s VAL 93 CO -0.09 -1.62 0.00 0.61 0.00 0.00 0.00 175.10 174.00 1sou n GLY 94 N 5.15 5.63 7.00 4.51 0.00 -0.43 -4.74 105.19 122.31 1sou n GLY 94 Ca 0.31 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.00 0.00 -0.74 4.61 0.00 -1.26 -1.01 120.51 119.10 1sou n ALA 95 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1sou n ALA 95 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 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 14.00 2.14 0.00 0.00 3.72 -1.26 -4.81 117.46 131.24 1sou n PHE 96 Ca 0.00 -1.04 0.00 0.00 -0.05 0.00 0.00 57.45 56.36 1sou n PHE 96 Cb 0.00 -0.62 0.00 0.00 -0.94 0.00 0.00 39.48 37.92 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 -0.05 0.61 3.30 1.37 0.00 -0.18 -5.14 105.19 105.10 1sou n GLY 97 Ca 0.35 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.92 1.07 -0.98 -0.61 -4.36 -0.43 -4.95 121.20 110.01 1sou s ILE 98 Ca 0.00 -2.04 -0.23 0.00 -0.26 0.00 0.00 60.65 58.12 1sou s ILE 98 Cb 0.00 -2.18 0.06 0.00 1.25 0.00 0.00 42.46 41.59 1sou s ILE 98 CO 0.00 -0.46 1.40 -0.32 0.24 0.00 0.00 174.94 175.80 1sou s MET 99 N -3.83 3.55 0.23 0.37 -2.45 -1.26 -1.32 119.30 114.59 1sou s MET 99 Ca 0.25 -1.11 0.08 0.00 -1.25 0.00 0.00 55.69 53.66 1sou s MET 99 Cb 0.05 -5.20 -0.04 0.00 1.25 0.00 0.00 34.83 30.88 1sou s MET 99 CO 0.06 -2.16 0.06 -1.83 1.05 0.00 0.00 175.02 172.21 1sou s GLU 100 N 4.81 2.55 -0.44 4.11 -1.05 0.18 -4.87 118.70 123.98 1sou s GLU 100 Ca 0.43 -1.18 -0.28 0.00 -0.15 0.00 0.00 54.97 53.79 1sou s GLU 100 Cb -0.01 -2.37 -0.00 0.00 -0.44 0.00 0.00 34.13 31.31 1sou s GLU 100 CO -0.08 0.41 1.57 -1.25 0.95 0.00 0.00 175.26 176.87 1sou s PRO 101 N -3.46 3.35 0.38 -4.83 0.04 -1.26 -1.12 135.00 128.11 1sou s PRO 101 Ca 0.31 0.95 0.21 0.00 0.04 0.00 0.00 61.00 62.50 1sou s PRO 101 Cb -0.08 -4.13 0.44 0.00 0.04 0.00 0.00 34.50 30.77 1sou s PRO 101 CO 0.21 -1.85 1.62 -0.39 0.04 0.00 0.00 177.00 176.63 1sou h VAL 102 N 6.60 0.48 -3.51 -0.36 -1.51 -1.20 -3.47 116.25 113.28 1sou h VAL 102 Ca -0.29 -1.48 -0.24 0.00 -1.23 0.00 0.00 66.70 63.45 1sou h VAL 102 Cb 1.13 2.08 -0.06 0.00 -2.13 0.00 0.00 31.29 32.30 1sou h VAL 102 CO 1.10 0.25 -0.22 -1.84 -1.23 0.00 0.00 177.57 175.63 1sou n GLU 103 N -3.22 0.27 0.00 5.19 0.28 -1.24 -5.10 120.64 116.83 1sou n GLU 103 Ca 0.02 -1.82 0.00 0.00 -0.16 0.00 0.00 57.16 55.20 1sou n GLU 103 Cb 0.57 1.55 0.00 0.00 1.43 0.00 0.00 31.44 34.99 1sou n GLU 103 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1sou n GLY 104 N -0.35 0.12 2.83 -1.84 0.00 -1.26 -4.87 105.19 99.81 1sou n GLY 104 Ca 0.03 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 1sou n GLY 104 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sou s GLU 105 N -0.36 0.01 -0.67 1.61 2.12 -1.26 -5.03 118.70 115.13 1sou s GLU 105 Ca 0.00 0.31 -0.27 0.00 0.36 0.00 0.00 54.97 55.37 1sou s GLU 105 Cb 0.00 -0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.16 1sou s GLU 105 CO 0.00 -0.20 1.36 -0.98 -0.54 0.00 0.00 175.26 174.90 1sou s ARG 106 N 1.33 3.20 0.12 4.30 1.70 -1.26 -1.61 118.95 126.72 1sou s ARG 106 Ca -0.07 0.06 0.02 0.00 -0.47 0.00 0.00 55.73 55.28 1sou s ARG 106 Cb -0.12 -4.17 -0.04 0.00 -0.57 0.00 0.00 34.95 30.05 1sou s ARG 106 CO -0.04 -2.10 0.25 0.08 -1.08 0.00 0.00 175.30 172.40 1sou s VAL 107 N 6.05 5.28 0.45 4.99 1.01 0.51 -4.96 120.40 133.73 1sou s VAL 107 Ca 0.43 -0.62 -0.23 0.00 0.00 0.00 0.00 61.98 61.56 1sou s VAL 107 Cb -0.09 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 1sou s VAL 107 CO 0.19 -0.02 1.14 0.54 0.00 0.00 0.00 175.10 176.96 1sou s ASN 108 N -2.98 6.30 0.00 3.32 4.22 -1.26 -3.55 114.94 120.98 1sou s ASN 108 Ca 0.34 2.25 0.03 0.00 -2.14 0.00 0.00 52.86 53.34 1sou s ASN 108 Cb -0.12 -2.60 0.15 0.00 1.28 0.00 0.00 41.25 39.96 1sou s ASN 108 CO 0.28 -0.83 1.04 -0.81 -2.04 0.00 0.00 177.10 174.74 1sou n PRO 109 N -0.40 0.02 0.24 3.55 -0.04 -1.26 -1.33 135.00 135.77 1sou n PRO 109 Ca 0.07 0.38 0.11 0.00 -0.04 0.00 0.00 63.50 64.02 1sou n PRO 109 Cb 0.48 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.01 1sou n PRO 109 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1sou h GLU 110 N 0.00 0.00 0.00 0.54 4.81 -1.91 -2.39 114.58 115.63 1sou h GLU 110 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1sou h GLU 110 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1sou h GLU 110 CO 0.00 0.18 0.00 0.22 -0.73 0.00 0.00 179.01 178.68 1sou h ASP 111 N 0.00 0.00 -3.13 1.04 3.58 -1.58 -3.44 116.42 112.89 1sou h ASP 111 Ca -0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 1sou h ASP 111 Cb 0.60 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 1sou h ASP 111 CO 0.02 0.00 1.12 -0.69 -2.88 0.00 0.00 179.24 176.81 1sou s VAL 112 N -3.35 3.81 -0.10 2.25 1.01 -0.90 -4.84 120.40 118.27 1sou s VAL 112 Ca 0.05 0.83 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1sou s VAL 112 Cb 0.07 -4.07 -0.25 0.00 0.00 0.00 0.00 36.38 32.14 1sou s VAL 112 CO 0.62 -0.66 0.43 -0.67 0.00 0.00 0.00 175.10 174.81 1sou n ASP 113 N 9.10 1.64 -3.89 3.32 2.03 -1.22 -3.28 116.55 124.24 1sou n ASP 113 Ca 0.18 0.25 -0.21 0.00 0.52 0.00 0.00 54.79 55.53 1sou n ASP 113 Cb 0.48 -0.52 -0.17 0.00 -0.72 0.00 0.00 41.12 40.19 1sou n ASP 113 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1sou s PHE 114 N -2.57 0.87 -0.01 -0.67 2.19 -0.09 -0.40 117.98 117.31 1sou s PHE 114 Ca -0.17 -0.28 0.02 0.00 0.33 0.00 0.00 56.93 56.83 1sou s PHE 114 Cb 0.07 -0.77 -0.00 0.00 -1.31 0.00 0.00 43.02 41.01 1sou s PHE 114 CO 0.78 -0.24 -0.06 -1.50 1.83 0.00 0.00 175.22 176.03 1sou s ILE 115 N 1.08 0.46 -0.18 3.12 2.07 -0.74 -0.43 121.20 126.59 1sou s ILE 115 Ca -0.08 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 58.92 1sou s ILE 115 Cb -0.14 -0.40 0.03 0.00 0.13 0.00 0.00 42.46 42.08 1sou s ILE 115 CO -0.01 0.13 -0.17 0.00 -1.91 0.00 0.00 174.94 172.99 1sou s ALA 116 N -0.11 2.17 -0.13 1.50 0.00 0.19 -0.40 121.76 124.98 1sou s ALA 116 Ca 0.02 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1sou s ALA 116 Cb -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1sou s ALA 116 CO -0.00 -0.45 -0.20 0.14 0.00 0.00 0.00 175.76 175.25 1sou s VAL 117 N 1.35 2.35 -1.18 0.00 -7.23 0.03 -1.65 120.40 114.06 1sou s VAL 117 Ca 0.04 -0.90 -0.20 0.00 -1.81 0.00 0.00 61.98 59.11 1sou s VAL 117 Cb -0.14 -1.95 0.06 0.00 0.56 0.00 0.00 36.38 34.92 1sou s VAL 117 CO -0.11 0.54 1.62 -2.84 -0.31 0.00 0.00 175.10 174.00 1sou s PRO 118 N 0.60 3.81 0.29 4.82 0.02 -1.26 -0.77 135.00 142.52 1sou s PRO 118 Ca -0.11 -1.63 0.05 0.00 0.02 0.00 0.00 61.00 59.33 1sou s PRO 118 Cb -0.16 -5.46 -0.02 0.00 0.02 0.00 0.00 34.50 28.87 1sou s PRO 118 CO 0.03 -2.25 0.43 0.20 -0.33 0.00 0.00 177.00 175.08 1sou s GLY 119 N 4.56 1.39 -0.21 0.52 0.00 -1.24 -4.99 107.32 107.35 1sou s GLY 119 Ca 0.51 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.83 1sou s GLY 119 CO 0.01 -1.26 0.18 0.14 0.00 0.00 0.00 173.10 172.17 1sou s VAL 120 N -2.10 5.36 0.07 1.40 1.01 -1.24 -4.75 120.40 120.15 1sou s VAL 120 Ca 0.39 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1sou s VAL 120 Cb -0.09 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1sou s VAL 120 CO 0.31 0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.80 1sou n ALA 121 N 3.84 -2.39 -2.21 5.51 0.00 -1.24 -1.09 120.51 122.94 1sou n ALA 121 Ca -0.15 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 1sou n ALA 121 Cb 0.52 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.35 1.13 0.00 0.00 0.08 0.05 -2.96 117.98 115.93 1sou s PHE 122 Ca 0.00 -1.19 0.00 0.00 0.12 0.00 0.00 56.93 55.86 1sou s PHE 122 Cb 0.00 -0.63 0.00 0.00 -0.57 0.00 0.00 43.02 41.82 1sou s PHE 122 CO 0.00 -0.43 0.00 -0.40 -0.10 0.00 0.00 175.22 174.29 1sou n ASP 123 N -0.23 0.22 -0.14 1.36 5.68 -1.26 -0.56 116.55 121.61 1sou n ASP 123 Ca -0.03 -0.51 0.13 0.00 -0.50 0.00 0.00 54.79 53.88 1sou n ASP 123 Cb 0.64 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.11 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 0.65 -0.08 -2.12 4.77 -0.65 -3.89 117.00 115.67 1sou n LEU 124 Ca 0.00 -0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.83 1sou n LEU 124 Cb 0.00 -0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 1sou n LEU 124 CO 0.00 0.12 -1.03 1.21 -1.33 0.00 0.00 177.39 176.36 1sou n GLU 125 N -0.93 1.30 0.00 3.23 2.13 -1.26 -5.02 120.64 120.09 1sou n GLU 125 Ca 0.12 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1sou n GLU 125 Cb 0.31 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1sou n GLU 125 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1sou n GLY 126 N 2.11 1.71 3.77 8.31 0.00 -1.25 -4.89 105.19 114.94 1sou n GLY 126 Ca -0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.84 2.99 -0.28 1.61 2.02 -1.26 -2.24 117.35 118.35 1sou s TYR 127 Ca 0.00 1.53 0.02 0.00 -0.37 0.00 0.00 57.07 58.26 1sou s TYR 127 Cb 0.00 -3.42 0.08 0.00 -0.40 0.00 0.00 41.96 38.21 1sou s TYR 127 CO 0.00 -1.46 -0.03 0.50 -1.57 0.00 0.00 175.55 173.00 1sou s ARG 128 N -2.38 1.70 0.07 -0.62 3.00 -1.26 -4.08 118.95 115.37 1sou s ARG 128 Ca 0.59 -1.39 -0.14 0.00 -1.00 0.00 0.00 55.73 53.78 1sou s ARG 128 Cb -0.31 -2.83 -0.26 0.00 0.00 0.00 0.00 34.95 31.55 1sou s ARG 128 CO 0.39 -0.73 1.15 1.25 0.00 0.00 0.00 175.30 177.36 1sou h LEU 129 N 7.80 0.91 0.00 -0.88 5.85 -1.55 -3.48 115.31 123.96 1sou h LEU 129 Ca -0.14 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.81 1sou h LEU 129 Cb 1.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1sou h LEU 129 CO 0.47 1.58 0.00 0.61 -0.34 0.00 0.00 178.44 180.75 1sou n GLY 130 N 1.22 3.62 3.62 3.75 0.00 -0.25 -4.79 105.19 112.37 1sou n GLY 130 Ca -0.12 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1sou n GLY 130 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sou s PHE 131 N 0.00 -0.66 0.00 1.61 5.36 -1.26 -3.63 117.98 119.39 1sou s PHE 131 Ca 0.00 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 57.55 1sou s PHE 131 Cb 0.00 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 43.00 1sou s PHE 131 CO 0.00 -0.34 0.00 0.41 -1.46 0.00 0.00 175.22 173.83 1sou n GLY 132 N 2.36 1.30 0.15 13.12 0.00 -1.26 -4.73 105.19 116.13 1sou n GLY 132 Ca -0.14 -1.99 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1sou n GLY 132 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sou h LYS 133 N 0.00 0.35 0.00 1.61 1.79 -2.01 -3.50 116.57 114.81 1sou h LYS 133 Ca 0.00 -0.35 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1sou h LYS 133 Cb 0.00 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1sou h LYS 133 CO 0.00 1.03 0.00 0.41 -1.08 0.00 0.00 179.45 179.81 1sou n GLY 134 N 0.84 -0.86 5.05 3.86 0.00 -1.26 -5.05 105.19 107.76 1sou n GLY 134 Ca -0.05 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.99 1.61 4.02 -1.26 -3.56 117.16 118.96 1sou n TYR 135 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1sou n TYR 135 Cb 0.00 0.00 0.31 0.00 -0.02 0.00 0.00 39.34 39.63 1sou n TYR 135 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1sou n TYR 136 N 0.00 0.22 0.21 -0.72 4.01 -1.26 -3.73 117.16 115.89 1sou n TYR 136 Ca 0.00 -0.11 0.06 0.00 -0.16 0.00 0.00 57.90 57.69 1sou n TYR 136 Cb 0.00 0.00 0.46 0.00 -0.31 0.00 0.00 39.34 39.49 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 3.27 0.00 1.07 7.72 2.03 -1.97 -1.32 116.42 127.22 1sou h ASP 137 Ca 0.00 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 56.17 1sou h ASP 137 Cb 0.71 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.19 1sou h ASP 137 CO 0.00 0.29 -0.60 0.03 -1.03 0.00 0.00 179.24 177.93 1sou h ARG 138 N 0.00 0.00 -0.34 4.15 3.08 -1.91 -3.03 114.38 116.33 1sou h ARG 138 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 1sou h ARG 138 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1sou h ARG 138 CO 0.04 0.60 -0.15 1.25 -1.07 0.00 0.00 179.97 180.63 1sou h LEU 139 N 0.00 0.59 -1.93 3.04 5.85 -1.46 -2.39 115.31 119.01 1sou h LEU 139 Ca -0.01 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1sou h LEU 139 Cb 1.29 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1sou h LEU 139 CO 0.08 0.76 0.05 -0.07 -0.34 0.00 0.00 178.44 178.92 1sou h LEU 140 N 0.55 0.08 -0.86 2.25 3.38 -1.31 0.33 115.31 119.73 1sou h LEU 140 Ca 0.09 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1sou h LEU 140 Cb 0.57 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1sou h LEU 140 CO 0.04 0.06 -0.45 0.50 0.09 0.00 0.00 178.44 178.68 1sou h LYS 141 N 0.10 0.00 0.00 1.13 3.64 -1.48 -2.85 116.57 117.11 1sou h LYS 141 Ca 0.03 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1sou h LYS 141 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1sou h LYS 141 CO -0.01 0.45 -0.28 0.00 -2.27 0.00 0.00 179.45 177.34 1sou h ARG 142 N 0.00 0.00 -6.16 1.90 3.08 -0.86 -3.40 114.38 108.94 1sou h ARG 142 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.52 1sou h ARG 142 Cb 0.97 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 1sou h ARG 142 CO 0.06 0.28 1.20 0.08 -1.07 0.00 0.00 179.97 180.52 1sou s VAL 143 N -3.17 3.69 -1.10 2.04 1.01 -0.75 -4.22 120.40 117.89 1sou s VAL 143 Ca 0.04 -0.03 0.09 0.00 0.00 0.00 0.00 61.98 62.08 1sou s VAL 143 Cb 0.07 -4.70 0.39 0.00 0.00 0.00 0.00 36.38 32.14 1sou s VAL 143 CO 0.70 -1.63 1.19 0.29 0.00 0.00 0.00 175.10 175.64 1sou n LYS 144 N 9.16 2.60 -0.21 2.72 5.02 -1.26 -4.83 118.16 131.36 1sou n LYS 144 Ca 0.18 -1.52 0.00 0.00 -2.02 0.00 0.00 58.31 54.95 1sou n LYS 144 Cb 0.50 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.59 1.21 3.52 0.72 0.00 -1.21 -5.00 105.19 105.02 1sou n GLY 145 Ca 0.14 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1sou n GLY 145 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sou s LEU 146 N 0.00 3.54 -0.65 0.99 2.01 0.46 -4.90 118.68 120.13 1sou s LEU 146 Ca 0.00 -0.67 -0.28 0.00 0.01 0.00 0.00 54.13 53.20 1sou s LEU 146 Cb 0.00 -2.52 0.02 0.00 0.01 0.00 0.00 46.19 43.70 1sou s LEU 146 CO 0.00 -1.71 1.30 -0.54 1.01 0.00 0.00 176.35 176.42 1sou s LYS 147 N 5.21 3.29 -0.24 1.70 1.02 -1.26 -1.79 119.74 127.67 1sou s LYS 147 Ca 0.32 0.09 -0.12 0.00 0.02 0.00 0.00 55.97 56.27 1sou s LYS 147 Cb -0.10 -4.13 -0.05 0.00 -0.52 0.00 0.00 37.83 33.04 1sou s LYS 147 CO 0.12 -1.99 0.23 0.08 -0.92 0.00 0.00 175.35 172.88 1sou s VAL 148 N 5.70 5.31 -0.25 3.17 1.01 0.47 -0.62 120.40 135.18 1sou s VAL 148 Ca 0.42 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.57 1sou s VAL 148 Cb -0.08 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 1sou s VAL 148 CO 0.20 0.30 0.43 -0.83 0.00 0.00 0.00 175.10 175.21 1sou s GLY 149 N 1.14 1.92 -0.37 4.51 0.00 0.33 -0.79 107.32 114.07 1sou s GLY 149 Ca 0.11 -0.66 -0.12 0.00 0.00 0.00 0.00 44.72 44.04 1sou s GLY 149 CO 0.06 1.03 0.23 0.14 0.00 0.00 0.00 173.10 174.56 1sou s VAL 150 N 1.95 4.89 0.01 1.40 1.01 0.05 -1.08 120.40 128.63 1sou s VAL 150 Ca 0.18 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 1sou s VAL 150 Cb -0.15 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1sou s VAL 150 CO 0.09 -0.17 0.17 0.00 0.00 0.00 0.00 175.10 175.19 1sou s ALA 151 N 1.63 -0.36 0.59 5.51 0.00 -1.06 -3.67 121.76 124.40 1sou s ALA 151 Ca 0.04 -0.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 1sou s ALA 151 Cb -0.18 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1sou s ALA 151 CO 0.08 -0.27 1.13 0.71 0.00 0.00 0.00 175.76 177.41 1sou s TYR 152 N -1.82 2.62 0.60 0.00 2.02 -1.26 -4.04 117.35 115.46 1sou s TYR 152 Ca -0.11 1.55 0.34 0.00 -0.37 0.00 0.00 57.07 58.47 1sou s TYR 152 Cb -0.05 -3.26 1.97 0.00 -0.40 0.00 0.00 41.96 40.22 1sou s TYR 152 CO -0.00 -1.67 2.28 0.77 -1.57 0.00 0.00 175.55 175.35 1sou h SER 153 N 0.72 0.00 0.48 2.29 0.02 -1.91 0.12 113.55 115.27 1sou h SER 153 Ca -0.49 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.43 1sou h SER 153 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 1sou h SER 153 CO 0.56 0.01 -0.16 -0.26 -1.14 0.00 0.00 176.83 175.83 1sou h PHE 154 N 0.00 0.00 -0.19 3.45 0.04 -2.01 -2.59 116.94 115.65 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 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1sou h PHE 154 CO 0.00 0.16 0.00 1.04 -0.60 0.00 0.00 178.31 178.91 1sou n GLN 155 N -3.63 2.31 -4.35 1.51 3.00 0.39 -4.84 117.38 111.77 1sou n GLN 155 Ca -0.01 -1.94 -0.34 0.00 -0.01 0.00 0.00 57.00 54.70 1sou n GLN 155 Cb 0.29 -1.48 -0.14 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 -1.78 3.06 0.00 5.09 1.01 -0.98 -0.77 120.40 126.03 1sou s VAL 156 Ca 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1sou s VAL 156 Cb 0.21 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.26 1sou s VAL 156 CO 0.31 0.49 0.00 0.49 0.00 0.00 0.00 175.10 176.38 1sou n PHE 157 N 4.16 -0.55 0.23 5.22 3.72 0.28 -4.93 117.46 125.59 1sou n PHE 157 Ca -0.19 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.12 1sou n PHE 157 Cb 0.52 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.01 1sou n PHE 157 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1sou h GLU 158 N 0.00 -0.59 -2.37 -1.08 4.57 -1.96 -3.31 114.58 109.85 1sou h GLU 158 Ca 0.00 0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.14 1sou h GLU 158 Cb 0.00 0.13 -0.22 0.00 -0.16 0.00 0.00 28.75 28.50 1sou h GLU 158 CO 0.00 -0.39 -0.04 0.50 -1.18 0.00 0.00 179.01 177.90 1sou s ARG 159 N -3.90 0.70 0.58 1.92 3.52 -1.26 -1.64 118.95 118.86 1sou s ARG 159 Ca -0.09 0.68 -0.11 0.00 -0.13 0.00 0.00 55.73 56.08 1sou s ARG 159 Cb 0.01 0.34 -0.05 0.00 -1.56 0.00 0.00 34.95 33.69 1sou s ARG 159 CO 0.27 -0.11 0.98 -0.51 -0.81 0.00 0.00 175.30 175.12 1sou s LEU 160 N 0.07 3.36 -0.33 -0.88 1.43 -1.26 -4.97 118.68 116.11 1sou s LEU 160 Ca -0.02 1.37 -0.28 0.00 -1.03 0.00 0.00 54.13 54.17 1sou s LEU 160 Cb -0.04 -4.38 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 1sou s LEU 160 CO 0.02 -0.77 2.08 -2.84 0.23 0.00 0.00 176.35 175.06 1sou s PRO 161 N -4.90 3.01 -0.10 1.29 0.02 -1.26 -4.93 135.00 128.13 1sou s PRO 161 Ca 0.54 1.62 -0.30 0.00 0.02 0.00 0.00 61.00 62.89 1sou s PRO 161 Cb -0.11 -4.34 -0.03 0.00 0.02 0.00 0.00 34.50 30.04 1sou s PRO 161 CO 0.48 -2.24 1.31 0.50 -0.33 0.00 0.00 177.00 176.73 1sou s ARG 162 N 6.44 4.26 -0.01 5.54 3.52 -1.26 -4.94 118.95 132.50 1sou s ARG 162 Ca 0.90 1.77 -0.04 0.00 -0.13 0.00 0.00 55.73 58.24 1sou s ARG 162 Cb -0.25 -3.72 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 1sou s ARG 162 CO 0.32 -0.64 0.47 0.22 -0.81 0.00 0.00 175.30 174.86 1sou h ASP 163 N 8.13 -0.11 0.00 -2.12 3.58 -2.01 -3.50 116.42 120.40 1sou h ASP 163 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 1sou h ASP 163 Cb 1.14 0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.21 1sou h ASP 163 CO 0.94 -0.01 0.00 0.00 -2.88 0.00 0.00 179.24 177.29 1sou n ALA 164 N -2.17 0.00 -3.49 -0.78 0.00 -1.26 -5.04 120.51 107.77 1sou n ALA 164 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 1sou n ALA 164 Cb 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.94 3.50 -3.29 0.00 8.01 -1.26 -5.06 117.44 118.40 1sou n TRP 165 Ca 0.00 -4.05 -0.35 0.00 -1.31 0.00 0.00 57.50 51.80 1sou n TRP 165 Cb 0.00 -0.67 -0.06 0.00 -2.01 0.00 0.00 31.31 28.57 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 -2.09 6.85 -0.49 -0.99 2.15 -1.26 -5.04 116.67 115.79 1sou s ASP 166 Ca 0.36 1.15 -0.22 0.00 0.43 0.00 0.00 52.55 54.27 1sou s ASP 166 Cb 0.09 -2.32 0.04 0.00 -0.30 0.00 0.00 42.92 40.43 1sou s ASP 166 CO -0.04 0.04 0.76 -0.63 -0.17 0.00 0.00 175.17 175.13 1sou s ILE 167 N -1.57 4.67 0.66 4.11 1.01 -1.26 -5.02 121.20 123.80 1sou s ILE 167 Ca 0.42 0.11 -0.13 0.00 0.00 0.00 0.00 60.65 61.04 1sou s ILE 167 Cb -0.14 -4.35 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 1sou s ILE 167 CO 0.20 -0.82 1.07 -2.84 0.00 0.00 0.00 174.94 172.55 1sou s PRO 168 N 3.21 3.00 0.80 2.79 0.02 -1.26 -4.57 135.00 139.00 1sou s PRO 168 Ca 0.25 1.15 -0.07 0.00 0.02 0.00 0.00 61.00 62.34 1sou s PRO 168 Cb -0.14 -1.99 0.14 0.00 0.02 0.00 0.00 34.50 32.53 1sou s PRO 168 CO 0.19 -1.06 1.11 0.14 -0.33 0.00 0.00 177.00 177.05 1sou s VAL 169 N -2.68 2.11 -0.22 3.83 -7.23 -0.95 -5.04 120.40 110.23 1sou s VAL 169 Ca 0.62 -0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 60.36 1sou s VAL 169 Cb -0.16 -2.78 -0.19 0.00 0.56 0.00 0.00 36.38 33.81 1sou s VAL 169 CO 0.45 0.00 -0.00 0.47 -0.31 0.00 0.00 175.10 175.71 1sou n ASP 170 N -3.18 1.99 -3.99 4.85 8.00 0.21 -4.82 116.55 119.61 1sou n ASP 170 Ca 0.14 0.20 -0.20 0.00 0.71 0.00 0.00 54.79 55.63 1sou n ASP 170 Cb 0.60 -0.76 -0.16 0.00 -0.02 0.00 0.00 41.12 40.79 1sou n ASP 170 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sou s VAL 171 N -2.49 0.76 -0.27 2.53 1.01 -0.74 -0.86 120.40 120.34 1sou s VAL 171 Ca -0.31 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1sou s VAL 171 Cb 0.09 -0.69 0.04 0.00 0.00 0.00 0.00 36.38 35.82 1sou s VAL 171 CO 0.62 0.24 -0.03 -0.22 0.00 0.00 0.00 175.10 175.71 1sou s LEU 172 N 0.29 3.53 -0.30 3.92 2.96 0.82 -0.51 118.68 129.39 1sou s LEU 172 Ca -0.05 -1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 52.66 1sou s LEU 172 Cb -0.09 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1sou s LEU 172 CO 0.01 -0.19 0.25 -0.69 -1.32 0.00 0.00 176.35 174.40 1sou s VAL 173 N 1.28 5.27 0.41 1.68 1.01 -0.25 -0.56 120.40 129.25 1sou s VAL 173 Ca -0.03 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1sou s VAL 173 Cb -0.18 -3.64 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1sou s VAL 173 CO -0.03 0.12 0.14 -0.89 0.00 0.00 0.00 175.10 174.44 1sou s THR 174 N 1.81 2.26 -1.43 3.92 2.01 -1.02 -2.56 115.64 120.63 1sou s THR 174 Ca 0.08 -1.77 -0.10 0.00 0.31 0.00 0.00 61.69 60.21 1sou s THR 174 Cb -0.16 -2.99 0.06 0.00 0.01 0.00 0.00 72.50 69.41 1sou s THR 174 CO 0.11 -0.01 2.34 1.21 -0.69 0.00 0.00 174.62 177.58 1sou n GLU 175 N -1.17 3.60 0.00 4.92 0.00 -1.26 -3.27 120.64 123.45 1sou n GLU 175 Ca -0.02 -2.91 0.00 0.00 0.00 0.00 0.00 57.16 54.23 1sou n GLU 175 Cb 0.65 -2.95 0.00 0.00 0.00 0.00 0.00 31.44 29.14 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 4.06 0.00 -3.93 5.31 4.76 -1.26 -4.89 118.16 122.21 1sou n LYS 176 Ca 0.57 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.92 1sou n LYS 176 Cb 0.32 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.42 1sou n LYS 176 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1sou s ASN 177 N 0.00 0.20 -0.43 4.39 4.22 -1.20 -5.12 114.94 117.00 1sou s ASN 177 Ca 0.00 -0.62 -0.13 0.00 -2.14 0.00 0.00 52.86 49.97 1sou s ASN 177 Cb 0.00 0.26 0.06 0.00 1.28 0.00 0.00 41.25 42.85 1sou s ASN 177 CO 0.00 -0.58 0.32 -0.69 -2.04 0.00 0.00 177.10 174.10 1sou s VAL 178 N -3.12 4.86 -0.74 3.54 1.01 -1.26 -2.44 120.40 122.25 1sou s VAL 178 Ca -0.01 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 1sou s VAL 178 Cb 0.02 -3.86 0.13 0.00 0.00 0.00 0.00 36.38 32.66 1sou s VAL 178 CO -0.07 -0.47 0.86 -0.60 0.00 0.00 0.00 175.10 174.82 1sou s ARG 179 N 1.57 3.31 -0.12 2.72 3.52 0.27 -4.97 118.95 125.25 1sou s ARG 179 Ca 0.03 -1.60 -0.29 0.00 -0.13 0.00 0.00 55.73 53.74 1sou s ARG 179 Cb -0.22 -4.48 -0.01 0.00 -1.56 0.00 0.00 34.95 28.68 1sou s ARG 179 CO 0.06 -1.59 1.08 1.03 -0.81 0.00 0.00 175.30 175.07 1sou s ARG 180 N 2.37 4.36 -0.29 5.12 0.52 -1.26 -0.12 118.95 129.64 1sou s ARG 180 Ca 0.20 1.48 0.05 0.00 -0.52 0.00 0.00 55.73 56.93 1sou s ARG 180 Cb -0.16 -3.58 0.51 0.00 0.52 0.00 0.00 34.95 32.24 1sou s ARG 180 CO -0.01 -0.44 1.60 1.28 0.02 0.00 0.00 175.30 177.75 1sou n LEU 181 N 5.44 5.39 0.02 2.53 4.77 -0.04 -4.41 117.00 130.71 1sou n LEU 181 Ca 0.10 -2.83 -0.13 0.00 -0.03 0.00 0.00 56.01 53.12 1sou n LEU 181 Cb 0.47 -0.72 -0.07 0.00 -2.33 0.00 0.00 43.42 40.77 1sou n LEU 181 CO 0.53 0.81 0.57 -0.09 -1.33 0.00 0.00 177.39 177.87 1sou h ARG 182 N 1.25 -0.52 0.00 3.23 2.43 -1.92 -3.44 114.38 115.41 1sou h ARG 182 Ca 0.35 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1sou h ARG 182 Cb 2.16 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.83 1sou h ARG 182 CO 0.69 -0.35 0.00 -3.47 -1.51 0.00 0.00 179.97 175.33 1sou n ASP 183 N -5.44 0.00 0.00 -3.80 2.03 -1.26 -4.69 116.55 103.39 1sou n ASP 183 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1sou n ASP 183 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1sou n ASP 183 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sou n GLY 184 N 0.00 0.75 1.51 0.27 0.00 -1.26 -4.90 105.19 101.56 1sou n GLY 184 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1sou n GLY 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sou n ARG 185 N -2.36 3.43 0.20 1.61 1.74 -1.26 -4.23 116.66 115.79 1sou n ARG 185 Ca 0.00 -2.74 0.09 0.00 -0.77 0.00 0.00 57.85 54.43 1sou n ARG 185 Cb 0.00 -1.81 0.62 0.00 -1.02 0.00 0.00 32.46 30.26 1sou n ARG 185 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1sou h SER 186 N 4.05 0.05 0.00 0.55 0.02 -1.93 -2.77 113.55 113.52 1sou h SER 186 Ca 0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1sou h SER 186 Cb 1.32 -0.01 -0.16 0.00 0.14 0.00 0.00 62.40 63.69 1sou h SER 186 CO 0.18 0.03 -0.65 0.18 -1.14 0.00 0.00 176.83 175.43 1sou n LEU 187 N -4.51 1.41 -3.97 5.07 4.77 -1.26 -5.07 117.00 113.44 1sou n LEU 187 Ca -0.01 -2.43 -0.08 0.00 -0.03 0.00 0.00 56.01 53.46 1sou n LEU 187 Cb 0.16 -0.19 -0.09 0.00 -2.33 0.00 0.00 43.42 40.97 1sou n LEU 187 CO 0.34 0.71 -0.25 -0.70 -1.33 0.00 0.00 177.39 176.17 1sou s GLU 188 N -1.22 0.64 0.00 3.23 -6.30 -1.05 -5.07 118.70 108.93 1sou s GLU 188 Ca 0.28 -0.96 0.00 0.00 -2.50 0.00 0.00 54.97 51.79 1sou s GLU 188 Cb 0.29 0.24 0.00 0.00 0.00 0.00 0.00 34.13 34.66 1sou s GLU 188 CO -0.08 -0.15 0.54 1.58 0.02 0.00 0.00 175.26 177.16 1sou n HIS 189 N 0.40 0.00 -2.55 5.30 -0.00 -1.26 -4.60 115.22 112.51 1sou n HIS 189 Ca -0.17 -0.06 -0.42 0.00 0.46 0.00 0.00 57.72 57.53 1sou n HIS 189 Cb 0.60 -0.01 -0.03 0.00 -0.12 0.00 0.00 29.99 30.44 1sou n HIS 189 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1sou s HIS 190 N -0.13 3.35 -0.24 1.57 3.76 -1.26 -4.90 115.29 117.44 1sou s HIS 190 Ca 0.00 1.38 0.18 0.00 -0.15 0.00 0.00 55.06 56.47 1sou s HIS 190 Cb 0.00 -3.33 -0.26 0.00 1.11 0.00 0.00 32.58 30.11 1sou s HIS 190 CO 0.00 -0.87 0.49 -2.39 -0.85 0.00 0.00 174.74 171.12 1sou n HIS 191 N 4.95 0.00 -4.92 1.40 1.44 -1.26 -5.05 115.22 111.78 1sou n HIS 191 Ca 0.10 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.81 1sou n HIS 191 Cb 0.47 -0.30 0.00 0.00 0.12 0.00 0.00 29.99 30.28 1sou n HIS 191 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1sou n HIS 192 N -1.93 -0.86 -3.83 -1.40 8.25 -1.26 -4.90 115.22 109.28 1sou n HIS 192 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.34 1sou n HIS 192 Cb 0.42 0.18 -0.08 0.00 1.12 0.00 0.00 29.99 31.62 1sou n HIS 192 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1sou s HIS 193 N 0.00 0.02 -2.63 4.41 -3.43 -1.26 -5.31 115.29 107.09 1sou s HIS 193 Ca 0.00 -0.20 0.27 0.00 -0.80 0.00 0.00 55.06 54.33 1sou s HIS 193 Cb 0.00 -0.01 0.82 0.00 -1.43 0.00 0.00 32.58 31.96 1sou s HIS 193 CO 0.00 -0.42 1.62 1.58 -2.00 0.00 0.00 174.74 175.52