#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itg n SER 57 N -1.65 2.71 0.12 0.00 7.64 -1.26 -4.57 113.62 116.61 1itg n SER 57 Ca -0.02 1.02 0.08 0.00 1.01 0.00 0.00 58.87 60.95 1itg n SER 57 Cb 0.13 -1.56 0.41 0.00 -1.01 0.00 0.00 64.21 62.18 1itg n SER 57 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1itg n PRO 58 N -0.71 0.10 -0.32 1.43 -0.04 -1.26 -1.71 135.00 132.49 1itg n PRO 58 Ca 0.09 0.59 0.11 0.00 -0.04 0.00 0.00 63.50 64.25 1itg n PRO 58 Cb 0.43 -1.85 0.28 0.00 -0.04 0.00 0.00 33.50 32.33 1itg n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1itg n GLY 59 N -1.35 2.49 3.75 0.55 0.00 -1.26 -4.77 105.19 104.61 1itg n GLY 59 Ca -0.01 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 1itg n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itg s ILE 60 N -1.03 5.25 0.10 -0.61 1.01 -0.69 -1.79 121.20 123.44 1itg s ILE 60 Ca 0.43 0.65 0.05 0.00 0.00 0.00 0.00 60.65 61.78 1itg s ILE 60 Cb 0.23 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1itg s ILE 60 CO 0.30 0.42 -0.12 0.26 0.00 0.00 0.00 174.94 175.80 1itg s TRP 61 N 0.16 1.18 -0.07 3.97 0.52 -0.62 -3.02 118.94 121.07 1itg s TRP 61 Ca 0.19 -0.60 0.05 0.00 0.02 0.00 0.00 56.10 55.76 1itg s TRP 61 Cb -0.14 -0.64 -0.01 0.00 -1.15 0.00 0.00 33.47 31.53 1itg s TRP 61 CO 0.07 0.05 -0.23 -1.14 0.02 0.00 0.00 176.95 175.72 1itg s GLN 62 N -2.66 2.65 -0.05 4.98 2.00 -0.35 -0.58 119.66 125.65 1itg s GLN 62 Ca 0.06 -0.87 -0.01 0.00 -2.00 0.00 0.00 55.36 52.54 1itg s GLN 62 Cb -0.04 -2.23 0.03 0.00 0.80 0.00 0.00 33.01 31.57 1itg s GLN 62 CO 0.01 0.38 0.03 -1.17 -0.50 0.00 0.00 175.29 174.04 1itg s LEU 63 N -0.14 0.43 0.16 3.68 0.20 0.32 -0.81 118.68 122.51 1itg s LEU 63 Ca -0.04 -0.00 -0.03 0.00 0.69 0.00 0.00 54.13 54.75 1itg s LEU 63 Cb -0.14 -0.28 -0.03 0.00 -0.43 0.00 0.00 46.19 45.31 1itg s LEU 63 CO 0.04 -0.21 0.14 -1.81 -0.29 0.00 0.00 176.35 174.22 1itg s ASP 64 N 1.97 0.20 -0.08 3.68 1.01 -0.79 -4.39 116.67 118.26 1itg s ASP 64 Ca 0.04 -1.16 0.01 0.00 0.71 0.00 0.00 52.55 52.14 1itg s ASP 64 Cb -0.12 0.36 -0.03 0.00 1.01 0.00 0.00 42.92 44.14 1itg s ASP 64 CO -0.04 -0.81 -0.09 0.00 0.21 0.00 0.00 175.17 174.45 1itg s THR 66 N -0.47 3.07 -0.04 0.00 2.01 0.58 -4.95 115.64 115.84 1itg s THR 66 Ca 0.07 -1.95 0.07 0.00 0.31 0.00 0.00 61.69 60.19 1itg s THR 66 Cb -0.12 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.79 1itg s THR 66 CO 0.02 -0.27 -0.24 -1.00 -0.69 0.00 0.00 174.62 172.43 1itg s HIS 67 N -2.11 2.27 -0.23 4.92 3.76 -1.26 -0.10 115.29 122.53 1itg s HIS 67 Ca 0.28 -0.54 -0.18 0.00 -0.15 0.00 0.00 55.06 54.46 1itg s HIS 67 Cb -0.07 -1.48 0.06 0.00 1.11 0.00 0.00 32.58 32.21 1itg s HIS 67 CO 0.16 -0.12 0.60 -1.17 -0.85 0.00 0.00 174.74 173.37 1itg s LEU 68 N -0.38 -0.43 -1.57 0.89 2.96 -0.21 -4.93 118.68 115.01 1itg s LEU 68 Ca 0.04 1.24 -0.08 0.00 -0.22 0.00 0.00 54.13 55.11 1itg s LEU 68 Cb -0.11 2.05 0.07 0.00 0.50 0.00 0.00 46.19 48.70 1itg s LEU 68 CO 0.01 -0.21 0.50 -0.62 -1.32 0.00 0.00 176.35 174.70 1itg n GLU 69 N 3.30 -2.71 0.00 1.98 1.02 -1.26 -0.51 120.64 122.46 1itg n GLU 69 Ca -0.16 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 1itg n GLU 69 Cb 0.56 -4.60 0.00 0.00 -0.02 0.00 0.00 31.44 27.39 1itg n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1itg n GLY 70 N -1.81 0.98 3.70 0.62 0.00 -1.26 -4.95 105.19 102.48 1itg n GLY 70 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1itg n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itg s LYS 71 N 0.00 0.67 -0.06 1.61 1.02 0.34 -5.03 119.74 118.29 1itg s LYS 71 Ca 0.00 0.50 0.03 0.00 0.02 0.00 0.00 55.97 56.52 1itg s LYS 71 Cb 0.00 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 1itg s LYS 71 CO 0.00 -2.57 -0.15 0.08 -0.92 0.00 0.00 175.35 171.80 1itg s VAL 72 N -3.03 3.01 -0.22 3.17 1.01 -0.85 -1.04 120.40 122.45 1itg s VAL 72 Ca 0.65 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 1itg s VAL 72 Cb -0.18 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.04 1itg s VAL 72 CO 0.57 0.58 -0.12 -0.63 0.00 0.00 0.00 175.10 175.50 1itg s ILE 73 N -0.59 2.52 -0.10 2.22 1.01 0.85 -0.18 121.20 126.93 1itg s ILE 73 Ca 0.09 -1.03 -0.25 0.00 0.00 0.00 0.00 60.65 59.45 1itg s ILE 73 Cb -0.11 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 1itg s ILE 73 CO 0.01 0.31 0.81 -0.22 0.00 0.00 0.00 174.94 175.85 1itg s LEU 74 N 1.29 4.26 -0.11 2.97 2.96 0.16 -0.31 118.68 129.91 1itg s LEU 74 Ca 0.01 1.26 0.01 0.00 -0.22 0.00 0.00 54.13 55.19 1itg s LEU 74 Cb -0.16 -3.23 0.02 0.00 0.50 0.00 0.00 46.19 43.32 1itg s LEU 74 CO -0.08 -0.27 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.86 1itg s VAL 75 N 1.45 1.36 -0.13 1.68 1.01 -0.04 -1.53 120.40 124.20 1itg s VAL 75 Ca 0.40 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1itg s VAL 75 Cb -0.18 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 1itg s VAL 75 CO 0.17 0.42 -0.14 0.00 0.00 0.00 0.00 175.10 175.55 1itg s ALA 76 N 1.16 2.59 -0.10 5.51 0.00 0.24 -1.89 121.76 129.27 1itg s ALA 76 Ca -0.04 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1itg s ALA 76 Cb -0.14 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.79 1itg s ALA 76 CO -0.04 0.24 -0.20 0.08 0.00 0.00 0.00 175.76 175.85 1itg s VAL 77 N 0.36 1.80 -0.79 0.00 1.01 0.01 -0.78 120.40 122.01 1itg s VAL 77 Ca -0.11 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 60.77 1itg s VAL 77 Cb -0.16 -1.58 0.05 0.00 0.00 0.00 0.00 36.38 34.69 1itg s VAL 77 CO 0.06 0.50 1.22 -2.28 0.00 0.00 0.00 175.10 174.60 1itg s HIS 78 N 0.56 2.50 0.25 5.22 2.46 0.35 -1.21 115.29 125.42 1itg s HIS 78 Ca -0.15 -0.44 -0.03 0.00 0.47 0.00 0.00 55.06 54.91 1itg s HIS 78 Cb -0.17 -4.53 0.51 0.00 -0.13 0.00 0.00 32.58 28.27 1itg s HIS 78 CO 0.05 -1.89 1.34 1.33 -2.47 0.00 0.00 174.74 173.09 1itg n VAL 79 N 6.29 -0.36 0.64 0.89 0.24 -1.17 -0.87 118.33 123.99 1itg n VAL 79 Ca 0.09 1.93 0.12 0.00 -2.04 0.00 0.00 64.34 64.43 1itg n VAL 79 Cb 0.48 -2.73 0.46 0.00 -1.47 0.00 0.00 33.84 30.58 1itg n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1itg n ALA 80 N -3.48 1.99 0.00 2.33 0.00 -1.26 -4.01 120.51 116.08 1itg n ALA 80 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1itg n ALA 80 Cb 0.53 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1itg n ALA 80 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1itg n SER 81 N -1.87 3.91 0.00 0.00 3.41 -0.16 -3.35 113.62 115.57 1itg n SER 81 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1itg n SER 81 Cb 0.29 0.71 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1itg n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1itg n GLY 82 N 2.05 0.82 3.72 5.00 0.00 -0.05 -4.49 105.19 112.24 1itg n GLY 82 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1itg n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1itg s TYR 83 N -3.03 3.02 0.14 1.61 5.04 -1.25 -4.77 117.35 118.10 1itg s TYR 83 Ca 0.00 0.64 0.07 0.00 -2.44 0.00 0.00 57.07 55.34 1itg s TYR 83 Cb 0.00 -3.96 -0.04 0.00 0.35 0.00 0.00 41.96 38.31 1itg s TYR 83 CO 0.00 -3.48 -0.06 0.42 -1.34 0.00 0.00 175.55 171.09 1itg s ILE 84 N 0.95 3.50 -0.08 3.14 1.01 -1.26 -0.49 121.20 127.98 1itg s ILE 84 Ca 0.69 -1.36 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1itg s ILE 84 Cb -0.45 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.37 1itg s ILE 84 CO 0.34 0.00 0.16 -0.70 0.00 0.00 0.00 174.94 174.74 1itg s GLU 85 N -2.55 0.09 0.17 2.79 2.12 0.04 -4.95 118.70 116.40 1itg s GLU 85 Ca 0.24 0.45 0.01 0.00 0.36 0.00 0.00 54.97 56.04 1itg s GLU 85 Cb -0.10 -0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.05 1itg s GLU 85 CO 0.16 -0.21 0.01 0.00 -0.54 0.00 0.00 175.26 174.68 1itg s ALA 86 N 1.52 1.27 -0.19 6.30 0.00 -1.26 -0.59 121.76 128.81 1itg s ALA 86 Ca -0.06 -1.57 -0.15 0.00 0.00 0.00 0.00 51.96 50.18 1itg s ALA 86 Cb -0.12 0.59 0.05 0.00 0.00 0.00 0.00 23.12 23.65 1itg s ALA 86 CO -0.06 -0.35 0.48 -2.00 0.00 0.00 0.00 175.76 173.83 1itg s GLU 87 N -3.94 0.54 -0.18 0.00 2.56 -0.58 -4.99 118.70 112.12 1itg s GLU 87 Ca 0.24 0.73 -0.14 0.00 0.00 0.00 0.00 54.97 55.80 1itg s GLU 87 Cb 0.06 0.20 -0.04 0.00 2.00 0.00 0.00 34.13 36.35 1itg s GLU 87 CO 0.04 -0.09 0.32 0.08 -0.56 0.00 0.00 175.26 175.05 1itg s VAL 88 N 0.59 5.27 0.16 3.70 1.01 -1.26 0.38 120.40 130.25 1itg s VAL 88 Ca -0.03 0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.60 1itg s VAL 88 Cb -0.05 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1itg s VAL 88 CO -0.04 0.34 -0.12 0.27 0.00 0.00 0.00 175.10 175.55 1itg s ILE 89 N 0.79 1.36 0.10 2.22 -4.36 0.74 -4.97 121.20 117.10 1itg s ILE 89 Ca 0.17 -2.08 -0.20 0.00 -0.26 0.00 0.00 60.65 58.29 1itg s ILE 89 Cb -0.14 -1.88 -0.08 0.00 1.25 0.00 0.00 42.46 41.62 1itg s ILE 89 CO 0.06 -0.67 1.69 1.55 0.24 0.00 0.00 174.94 177.81 1itg h PRO 90 N 2.78 0.28 -2.64 0.37 0.13 -1.98 -2.25 132.00 128.69 1itg h PRO 90 Ca -0.37 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1itg h PRO 90 Cb 1.20 -0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.11 1itg h PRO 90 CO 0.62 0.28 0.06 0.00 -0.23 0.00 0.00 178.00 178.74 1itg s ALA 91 N -5.81 -1.41 -0.67 -0.56 0.00 -1.26 -4.37 121.76 107.68 1itg s ALA 91 Ca -0.13 0.73 -0.26 0.00 0.00 0.00 0.00 51.96 52.29 1itg s ALA 91 Cb 0.08 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1itg s ALA 91 CO 0.70 -0.48 1.99 -1.21 0.00 0.00 0.00 175.76 176.75 1itg s GLU 92 N -2.21 2.48 0.10 0.00 2.02 -1.26 -4.88 118.70 114.94 1itg s GLU 92 Ca -0.06 0.52 0.07 0.00 0.02 0.00 0.00 54.97 55.51 1itg s GLU 92 Cb -0.01 -4.58 -0.03 0.00 0.10 0.00 0.00 34.13 29.60 1itg s GLU 92 CO 0.00 -3.04 -0.17 0.95 0.02 0.00 0.00 175.26 173.02 1itg s THR 93 N 10.04 1.42 0.46 3.63 -4.23 -1.26 -5.02 115.64 120.69 1itg s THR 93 Ca 0.73 -1.52 0.12 0.00 -1.18 0.00 0.00 61.69 59.85 1itg s THR 93 Cb -0.12 -1.39 0.28 0.00 1.34 0.00 0.00 72.50 72.61 1itg s THR 93 CO 0.16 -0.21 2.08 1.23 -0.54 0.00 0.00 174.62 177.34 1itg h GLY 94 N 3.99 0.34 0.87 3.99 0.00 -1.92 -1.51 103.07 108.83 1itg h GLY 94 Ca -0.43 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 46.80 1itg h GLY 94 CO 0.43 0.11 0.06 1.46 0.00 0.00 0.00 176.54 178.60 1itg h GLN 95 N 0.31 0.15 -0.37 4.80 7.50 -1.95 0.19 115.11 125.74 1itg h GLN 95 Ca 0.11 -0.01 -0.12 0.00 0.50 0.00 0.00 58.65 59.14 1itg h GLN 95 Cb 0.07 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 1itg h GLN 95 CO -0.02 0.10 -0.24 0.93 -1.50 0.00 0.00 178.83 178.09 1itg h GLU 96 N 0.15 0.75 -0.44 1.46 4.39 -1.67 -1.50 114.58 117.71 1itg h GLU 96 Ca 0.07 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.37 1itg h GLU 96 Cb 0.04 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1itg h GLU 96 CO -0.07 0.92 -0.12 1.15 -1.16 0.00 0.00 179.01 179.72 1itg h THR 97 N 0.65 1.27 -0.47 1.13 2.02 -0.97 -1.76 112.91 114.78 1itg h THR 97 Ca 0.09 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 1itg h THR 97 Cb 0.75 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1itg h THR 97 CO 0.06 0.42 0.23 0.00 0.37 0.00 0.00 175.52 176.60 1itg h ALA 98 N 0.86 0.61 -0.42 6.16 0.00 -0.45 -0.94 119.26 125.08 1itg h ALA 98 Ca 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1itg h ALA 98 Cb 0.66 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1itg h ALA 98 CO 0.05 0.17 0.25 -0.92 0.00 0.00 0.00 179.25 178.79 1itg h TYR 99 N 0.62 0.57 -0.50 0.00 3.20 -1.18 -2.05 116.97 117.63 1itg h TYR 99 Ca 0.16 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1itg h TYR 99 Cb 0.11 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1itg h TYR 99 CO -0.01 0.42 0.26 0.35 -1.64 0.00 0.00 178.16 177.53 1itg h PHE 100 N 0.56 0.71 -0.93 -3.82 3.04 -1.10 -2.54 116.94 112.86 1itg h PHE 100 Ca 0.15 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.10 1itg h PHE 100 Cb 0.02 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 38.26 1itg h PHE 100 CO -0.03 0.55 0.61 -0.07 -2.02 0.00 0.00 178.31 177.35 1itg h LEU 101 N 0.67 1.02 -0.50 0.59 3.38 -0.94 -1.64 115.31 117.89 1itg h LEU 101 Ca 0.17 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1itg h LEU 101 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1itg h LEU 101 CO -0.02 0.71 0.22 0.25 0.09 0.00 0.00 178.44 179.69 1itg h LEU 102 N 1.20 0.68 -0.59 1.67 5.85 -1.11 -0.08 115.31 122.93 1itg h LEU 102 Ca 0.36 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1itg h LEU 102 Cb -0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 1itg h LEU 102 CO -0.10 0.65 0.14 0.11 -0.34 0.00 0.00 178.44 178.89 1itg h LYS 103 N 0.67 0.94 -0.71 1.25 1.57 -1.16 -2.08 116.57 117.05 1itg h LYS 103 Ca 0.17 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1itg h LYS 103 Cb 0.17 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1itg h LYS 103 CO -0.02 0.87 0.19 1.25 -0.57 0.00 0.00 179.45 181.17 1itg h LEU 104 N 0.85 1.07 -0.98 2.94 5.85 -1.07 -2.96 115.31 121.01 1itg h LEU 104 Ca 0.18 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1itg h LEU 104 Cb 0.35 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1itg h LEU 104 CO 0.00 1.01 -0.21 0.00 -0.34 0.00 0.00 178.44 178.90 1itg h ALA 105 N 1.12 1.14 0.00 1.25 0.00 -0.75 -1.27 119.26 120.76 1itg h ALA 105 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1itg h ALA 105 Cb 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1itg h ALA 105 CO -0.00 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.20 1itg n GLY 106 N -0.46 -1.42 0.16 0.00 0.00 -0.81 -3.94 105.19 98.73 1itg n GLY 106 Ca -0.00 -0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 1itg n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1itg n ARG 107 N -1.43 0.56 -4.45 1.61 0.63 -1.04 -5.04 116.66 107.50 1itg n ARG 107 Ca 0.09 0.17 -0.22 0.00 -0.92 0.00 0.00 57.85 56.97 1itg n ARG 107 Cb 0.30 -1.43 -0.10 0.00 0.45 0.00 0.00 32.46 31.68 1itg n ARG 107 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1itg s TRP 108 N -2.46 2.05 -1.24 -0.14 0.52 -0.50 -5.06 118.94 112.11 1itg s TRP 108 Ca -0.32 -0.66 -0.18 0.00 0.02 0.00 0.00 56.10 54.96 1itg s TRP 108 Cb 0.10 -1.17 0.09 0.00 -1.15 0.00 0.00 33.47 31.34 1itg s TRP 108 CO 0.49 0.34 1.62 -2.14 0.02 0.00 0.00 176.95 177.29 1itg s PRO 109 N -3.70 3.96 -0.35 4.98 0.02 -1.26 -4.49 135.00 134.15 1itg s PRO 109 Ca 0.30 -2.03 -0.27 0.00 0.02 0.00 0.00 61.00 59.02 1itg s PRO 109 Cb 0.03 -5.40 0.02 0.00 0.02 0.00 0.00 34.50 29.17 1itg s PRO 109 CO 0.13 -2.13 0.99 0.08 -0.33 0.00 0.00 177.00 175.74 1itg s VAL 110 N 3.67 4.55 -0.25 3.83 1.01 -1.26 -4.45 120.40 127.50 1itg s VAL 110 Ca 0.50 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.78 1itg s VAL 110 Cb 0.02 -4.37 -0.11 0.00 0.00 0.00 0.00 36.38 31.92 1itg s VAL 110 CO 0.04 -0.51 -0.32 0.29 0.00 0.00 0.00 175.10 174.59 1itg n LYS 111 N 6.82 0.53 -4.24 2.72 5.02 -0.74 -4.57 118.16 123.70 1itg n LYS 111 Ca 0.09 0.23 -0.17 0.00 -2.02 0.00 0.00 58.31 56.44 1itg n LYS 111 Cb 0.48 -1.39 -0.13 0.00 -0.02 0.00 0.00 35.03 33.96 1itg n LYS 111 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1itg s THR 112 N -2.46 0.75 -0.03 -0.18 -4.23 -0.93 -0.55 115.64 107.99 1itg s THR 112 Ca -0.35 -0.74 0.04 0.00 -1.18 0.00 0.00 61.69 59.46 1itg s THR 112 Cb 0.13 -0.69 -0.00 0.00 1.34 0.00 0.00 72.50 73.28 1itg s THR 112 CO 0.44 -0.03 -0.15 0.68 -0.54 0.00 0.00 174.62 175.02 1itg s VAL 113 N -0.71 1.24 0.24 2.29 -7.23 -0.90 -1.59 120.40 113.74 1itg s VAL 113 Ca -0.01 -0.62 0.12 0.00 -1.81 0.00 0.00 61.98 59.66 1itg s VAL 113 Cb -0.06 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.77 1itg s VAL 113 CO 0.00 0.36 -0.22 -2.28 -0.31 0.00 0.00 175.10 172.66 1itg s HIS 114 N 0.02 2.29 0.18 2.82 5.04 0.26 -0.48 115.29 125.42 1itg s HIS 114 Ca -0.02 -0.34 -0.05 0.00 -1.54 0.00 0.00 55.06 53.11 1itg s HIS 114 Cb -0.10 -1.05 -0.03 0.00 0.04 0.00 0.00 32.58 31.44 1itg s HIS 114 CO 0.01 0.62 0.20 -0.08 -2.34 0.00 0.00 174.74 173.15 1itg s THR 115 N -2.15 0.04 -2.57 0.89 -1.32 -1.26 -0.53 115.64 108.74 1itg s THR 115 Ca 0.26 -1.75 0.23 0.00 -1.21 0.00 0.00 61.69 59.22 1itg s THR 115 Cb -0.06 -2.18 0.31 0.00 -1.51 0.00 0.00 72.50 69.06 1itg s THR 115 CO 0.13 -0.20 1.31 0.47 -2.21 0.00 0.00 174.62 174.12 1itg n ASP 116 N -0.22 3.19 -3.45 8.08 9.92 -1.26 -4.68 116.55 128.12 1itg n ASP 116 Ca -0.03 -1.96 -0.25 0.00 -0.53 0.00 0.00 54.79 52.02 1itg n ASP 116 Cb 0.64 -0.14 -0.11 0.00 -0.64 0.00 0.00 41.12 40.87 1itg n ASP 116 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1itg s ASN 117 N -1.64 2.56 0.45 -2.24 3.04 -1.26 -5.03 114.94 110.82 1itg s ASN 117 Ca 0.33 -1.71 0.18 0.00 0.04 0.00 0.00 52.86 51.71 1itg s ASN 117 Cb 0.21 -0.08 1.13 0.00 -1.54 0.00 0.00 41.25 40.97 1itg s ASN 117 CO 0.30 -0.34 1.91 1.23 -3.04 0.00 0.00 177.10 177.16 1itg h GLY 118 N 7.46 0.61 1.90 1.21 0.00 -2.00 -0.54 103.07 111.71 1itg h GLY 118 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1itg h GLY 118 CO 0.29 0.03 0.04 1.48 0.00 0.00 0.00 176.54 178.39 1itg h SER 119 N 0.33 0.00 0.08 0.19 4.64 -2.00 -1.18 113.55 115.61 1itg h SER 119 Ca 0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1itg h SER 119 Cb 1.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1itg h SER 119 CO -0.11 0.00 -0.06 0.78 -0.87 0.00 0.00 176.83 176.57 1itg h ASN 120 N 0.00 0.00 -0.22 4.97 2.35 -1.53 -3.07 115.58 118.08 1itg h ASN 120 Ca 0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1itg h ASN 120 Cb 0.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 1itg h ASN 120 CO 0.00 0.06 -0.07 0.49 -1.65 0.00 0.00 177.43 176.25 1itg n PHE 121 N -4.26 0.73 0.55 1.19 3.72 -0.45 -4.69 117.46 114.26 1itg n PHE 121 Ca -0.03 -1.22 0.12 0.00 -0.05 0.00 0.00 57.45 56.27 1itg n PHE 121 Cb 0.14 -0.34 0.10 0.00 -0.94 0.00 0.00 39.48 38.44 1itg n PHE 121 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1itg n THR 122 N -0.97 0.28 -1.96 4.37 -2.24 -1.16 -4.57 114.28 108.03 1itg n THR 122 Ca 0.24 -0.27 -0.35 0.00 -2.27 0.00 0.00 64.05 61.40 1itg n THR 122 Cb 0.88 0.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.16 1itg n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1itg s SER 123 N -4.13 5.17 0.38 3.42 1.04 -1.26 -4.90 113.70 113.42 1itg s SER 123 Ca 0.05 2.29 0.16 0.00 0.48 0.00 0.00 55.95 58.92 1itg s SER 123 Cb 0.14 -2.59 0.75 0.00 0.10 0.00 0.00 66.02 64.42 1itg s SER 123 CO 0.76 -1.60 1.80 0.71 0.98 0.00 0.00 173.24 175.89 1itg h THR 124 N 0.69 1.10 -0.17 2.02 1.35 -1.98 -1.89 112.91 114.03 1itg h THR 124 Ca -0.49 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 1itg h THR 124 Cb 1.28 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 1itg h THR 124 CO 0.55 0.37 0.11 0.74 -0.25 0.00 0.00 175.52 177.03 1itg h THR 125 N 0.00 1.06 0.17 6.82 2.02 -1.91 0.19 112.91 121.27 1itg h THR 125 Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1itg h THR 125 Cb 0.74 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1itg h THR 125 CO 0.05 0.06 -0.08 0.58 0.37 0.00 0.00 175.52 176.49 1itg h VAL 126 N 0.21 0.93 -0.90 3.16 2.07 -1.69 -2.18 116.25 117.85 1itg h VAL 126 Ca 0.06 -0.55 0.17 0.00 0.82 0.00 0.00 66.70 67.20 1itg h VAL 126 Cb 0.00 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.96 1itg h VAL 126 CO -0.01 0.13 0.58 0.11 0.02 0.00 0.00 177.57 178.40 1itg h LYS 127 N -0.50 0.56 -0.51 1.57 1.57 -1.23 0.60 116.57 118.63 1itg h LYS 127 Ca -0.02 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1itg h LYS 127 Cb 0.39 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1itg h LYS 127 CO 0.04 0.37 -0.06 0.00 -0.57 0.00 0.00 179.45 179.23 1itg h ALA 128 N 1.61 0.70 -0.30 3.86 0.00 -0.38 0.18 119.26 124.93 1itg h ALA 128 Ca 0.46 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1itg h ALA 128 Cb 0.91 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1itg h ALA 128 CO -0.21 0.57 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 1itg h ALA 129 N 0.92 0.40 -0.65 0.00 0.00 -0.37 -2.05 119.26 117.52 1itg h ALA 129 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1itg h ALA 129 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1itg h ALA 129 CO 0.04 0.17 0.27 0.00 0.00 0.00 0.00 179.25 179.73 1itg h TRP 131 N 0.91 -0.42 -0.27 0.00 7.01 -0.85 0.52 115.95 122.85 1itg h TRP 131 Ca 0.22 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.22 1itg h TRP 131 Cb 0.19 0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 1itg h TRP 131 CO 0.01 -0.26 0.15 2.35 -2.79 0.00 0.00 178.44 177.91 1itg h TRP 132 N -0.44 0.28 0.00 2.65 7.01 -1.28 -2.74 115.95 121.44 1itg h TRP 132 Ca -0.04 0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1itg h TRP 132 Cb 0.34 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1itg h TRP 132 CO -0.06 0.17 0.00 0.00 -2.79 0.00 0.00 178.44 175.75 1itg n ALA 133 N -2.20 2.30 -2.80 2.65 0.00 -0.64 -4.93 120.51 114.89 1itg n ALA 133 Ca -0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1itg n ALA 133 Cb 0.05 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.09 1itg n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itg n GLY 134 N 1.13 0.30 3.60 0.00 0.00 -0.02 -5.01 105.19 105.18 1itg n GLY 134 Ca 0.10 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 1itg n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1itg s ILE 135 N -3.13 3.94 0.32 -0.61 1.01 -0.06 -4.77 121.20 117.91 1itg s ILE 135 Ca 0.15 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.51 1itg s ILE 135 Cb -0.07 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1itg s ILE 135 CO 0.28 0.58 0.04 -0.54 0.00 0.00 0.00 174.94 175.30 1itg s LYS 136 N -0.60 2.20 0.61 2.79 -0.14 0.28 -4.49 119.74 120.39 1itg s LYS 136 Ca 0.09 -1.62 -0.04 0.00 -1.36 0.00 0.00 55.97 53.04 1itg s LYS 136 Cb -0.12 -2.05 0.03 0.00 -1.68 0.00 0.00 37.83 34.02 1itg s LYS 136 CO 0.02 0.18 0.90 -1.14 -0.76 0.00 0.00 175.35 174.55 1itg s GLN 137 N -3.74 2.60 -0.35 1.68 0.74 -1.26 -2.11 119.66 117.22 1itg s GLN 137 Ca 0.35 -0.27 -0.14 0.00 0.05 0.00 0.00 55.36 55.35 1itg s GLN 137 Cb -0.02 -2.30 0.02 0.00 1.10 0.00 0.00 33.01 31.81 1itg s GLN 137 CO 0.20 -0.86 0.37 0.39 -0.55 0.00 0.00 175.29 174.85 1itg n GLU 138 N -2.62 -2.40 -0.64 1.67 1.02 0.37 -4.43 120.64 113.61 1itg n GLU 138 Ca 0.06 2.05 -0.02 0.00 -0.02 0.00 0.00 57.16 59.23 1itg n GLU 138 Cb 0.59 -4.46 -0.01 0.00 -0.02 0.00 0.00 31.44 27.54 1itg n GLU 138 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1itg n PHE 139 N 0.19 -0.37 0.20 -0.32 3.01 -1.26 -4.92 117.46 113.99 1itg n PHE 139 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1itg n PHE 139 Cb 0.37 -1.15 0.00 0.00 -0.01 0.00 0.00 39.48 38.69 1itg n PHE 139 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1itg n GLY 140 N 0.07 0.08 0.07 1.37 0.00 -1.26 -4.93 105.19 100.60 1itg n GLY 140 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 1itg n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1itg n MET 154 N 0.09 0.00 -0.32 1.61 2.81 -1.26 -4.48 117.12 115.56 1itg n MET 154 Ca 0.00 -0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.06 1itg n MET 154 Cb 0.02 0.02 0.34 0.00 -0.71 0.00 0.00 33.22 32.90 1itg n MET 154 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1itg h ASN 155 N 0.00 -0.16 -0.22 7.83 4.21 -2.00 0.68 115.58 125.92 1itg h ASN 155 Ca -0.00 0.25 -0.07 0.00 1.21 0.00 0.00 56.30 57.69 1itg h ASN 155 Cb 0.13 0.37 -0.01 0.00 -1.12 0.00 0.00 38.32 37.69 1itg h ASN 155 CO -0.00 -0.30 -0.13 0.07 -1.29 0.00 0.00 177.43 175.79 1itg h LYS 156 N 0.08 0.48 -0.16 0.81 2.10 -2.05 -0.09 116.57 117.74 1itg h LYS 156 Ca 0.63 -0.22 -0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1itg h LYS 156 Cb 1.37 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.69 1itg h LYS 156 CO -0.80 0.77 0.08 1.49 -2.00 0.00 0.00 179.45 178.99 1itg h GLU 157 N 0.19 0.23 -0.51 0.07 4.57 -1.72 -0.82 114.58 116.59 1itg h GLU 157 Ca 0.05 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1itg h GLU 157 Cb 0.63 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.14 1itg h GLU 157 CO 0.04 0.26 0.26 1.25 -1.18 0.00 0.00 179.01 179.64 1itg h LEU 158 N 0.14 0.39 -1.48 1.64 7.12 -0.90 0.61 115.31 122.83 1itg h LEU 158 Ca 0.06 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.09 1itg h LEU 158 Cb 0.10 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.15 1itg h LEU 158 CO -0.01 0.27 0.33 0.50 -0.13 0.00 0.00 178.44 179.41 1itg h LYS 159 N 0.52 0.68 0.11 1.25 1.63 -0.68 0.54 116.57 120.62 1itg h LYS 159 Ca 0.22 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1itg h LYS 159 Cb 0.11 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1itg h LYS 159 CO -0.15 0.46 -0.05 -0.22 -3.45 0.00 0.00 179.45 176.04 1itg h LYS 160 N 0.70 -0.14 -0.77 1.90 3.64 0.43 -1.44 116.57 120.89 1itg h LYS 160 Ca 0.19 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1itg h LYS 160 Cb -0.07 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1itg h LYS 160 CO -0.04 0.22 0.46 0.82 -2.27 0.00 0.00 179.45 178.64 1itg h ILE 161 N -0.53 1.02 -0.21 2.00 2.04 -0.51 0.28 117.51 121.60 1itg h ILE 161 Ca -0.02 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1itg h ILE 161 Cb 0.43 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1itg h ILE 161 CO 0.03 0.16 0.06 0.40 0.00 0.00 0.00 178.15 178.79 1itg h ILE 162 N 0.85 0.92 -0.99 -0.67 2.04 -0.86 0.71 117.51 119.52 1itg h ILE 162 Ca 0.34 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 66.23 1itg h ILE 162 Cb 0.16 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1itg h ILE 162 CO -0.17 0.03 0.63 1.23 0.00 0.00 0.00 178.15 179.87 1itg h GLY 163 N 0.15 1.52 0.97 5.37 0.00 -0.09 0.38 103.07 111.37 1itg h GLY 163 Ca 0.10 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1itg h GLY 163 CO -0.11 0.27 -0.14 1.46 0.00 0.00 0.00 176.54 178.02 1itg h GLN 164 N 1.09 0.74 0.00 4.80 4.20 -0.10 -3.26 115.11 122.57 1itg h GLN 164 Ca 0.45 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1itg h GLN 164 Cb 0.28 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1itg h GLN 164 CO -0.20 0.92 -0.51 1.33 -0.67 0.00 0.00 178.83 179.70 1itg n VAL 165 N -4.33 0.22 0.00 -0.54 0.24 0.16 -4.37 118.33 109.71 1itg n VAL 165 Ca -0.02 -0.16 0.23 0.00 -2.04 0.00 0.00 64.34 62.35 1itg n VAL 165 Cb 0.39 -0.06 0.67 0.00 -1.47 0.00 0.00 33.84 33.37 1itg n VAL 165 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1itg h ARG 166 N 0.00 0.00 -0.03 7.34 2.47 -0.31 -1.07 114.38 122.78 1itg h ARG 166 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1itg h ARG 166 Cb 0.64 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.96 1itg h ARG 166 CO 0.00 0.00 -0.04 0.22 0.56 0.00 0.00 179.97 180.71 1itg h ASP 167 N 0.00 0.08 0.34 7.04 3.58 -1.82 -3.24 116.42 122.41 1itg h ASP 167 Ca 0.28 -0.54 -0.06 0.00 0.42 0.00 0.00 57.03 57.13 1itg h ASP 167 Cb 1.61 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.62 1itg h ASP 167 CO -0.00 0.61 -0.28 -0.61 -2.88 0.00 0.00 179.24 176.08 1itg h GLN 168 N -0.44 0.00 -6.04 0.28 4.15 -1.52 -3.42 115.11 108.12 1itg h GLN 168 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 1itg h GLN 168 Cb 0.59 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.22 1itg h GLN 168 CO 0.01 0.28 0.03 0.00 -1.93 0.00 0.00 178.83 177.21 1itg s ALA 169 N -4.29 3.41 -0.80 3.38 0.00 -0.99 -4.97 121.76 117.50 1itg s ALA 169 Ca -0.03 0.07 0.25 0.00 0.00 0.00 0.00 51.96 52.25 1itg s ALA 169 Cb 0.14 -2.84 0.95 0.00 0.00 0.00 0.00 23.12 21.37 1itg s ALA 169 CO 0.69 0.03 1.78 0.39 0.00 0.00 0.00 175.76 178.65 1itg n GLU 170 N 3.27 0.14 -3.83 0.00 4.71 -1.26 -4.85 120.64 118.83 1itg n GLU 170 Ca -0.04 0.19 -0.09 0.00 -0.01 0.00 0.00 57.16 57.21 1itg n GLU 170 Cb 0.51 -1.69 -0.07 0.00 -1.01 0.00 0.00 31.44 29.19 1itg n GLU 170 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1itg s HIS 171 N -3.10 0.12 0.17 -0.32 3.76 -1.26 -5.05 115.29 109.61 1itg s HIS 171 Ca 0.10 -0.52 -0.14 0.00 -0.15 0.00 0.00 55.06 54.35 1itg s HIS 171 Cb 0.13 0.01 0.08 0.00 1.11 0.00 0.00 32.58 33.91 1itg s HIS 171 CO 0.50 -0.61 1.81 1.25 -0.85 0.00 0.00 174.74 176.85 1itg h LEU 172 N 2.64 0.45 -0.61 0.89 5.85 -1.95 -2.14 115.31 120.44 1itg h LEU 172 Ca -0.34 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.50 1itg h LEU 172 Cb 1.22 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.04 1itg h LEU 172 CO 0.53 0.32 -0.33 0.11 -0.34 0.00 0.00 178.44 178.73 1itg h LYS 173 N 0.56 -0.15 -0.25 1.25 1.57 -1.98 0.15 116.57 117.73 1itg h LYS 173 Ca 0.19 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1itg h LYS 173 Cb 0.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1itg h LYS 173 CO -0.09 -0.10 0.15 1.15 -0.57 0.00 0.00 179.45 179.99 1itg h THR 174 N -0.15 1.10 -0.92 -0.16 2.02 -1.90 -1.76 112.91 111.13 1itg h THR 174 Ca 0.24 -0.24 0.05 0.00 0.77 0.00 0.00 66.41 67.22 1itg h THR 174 Cb 0.55 0.81 -0.06 0.00 -1.74 0.00 0.00 68.15 67.72 1itg h THR 174 CO -0.69 0.10 0.59 0.00 0.37 0.00 0.00 175.52 175.89 1itg h ALA 175 N 1.04 1.24 -0.35 6.16 0.00 -0.54 0.16 119.26 126.98 1itg h ALA 175 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1itg h ALA 175 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1itg h ALA 175 CO -0.02 0.42 0.12 0.28 0.00 0.00 0.00 179.25 180.06 1itg h VAL 176 N 1.12 1.20 0.00 0.00 2.07 -0.51 0.69 116.25 120.82 1itg h VAL 176 Ca 0.38 -0.64 -0.08 0.00 0.82 0.00 0.00 66.70 67.18 1itg h VAL 176 Cb 0.07 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1itg h VAL 176 CO -0.14 0.22 -0.37 1.56 0.02 0.00 0.00 177.57 178.87 1itg h GLN 177 N 0.42 0.00 -0.19 1.57 1.08 -0.73 -0.06 115.11 117.20 1itg h GLN 177 Ca 0.11 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.10 1itg h GLN 177 Cb 0.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.66 1itg h GLN 177 CO -0.01 0.37 -0.71 0.52 -0.95 0.00 0.00 178.83 178.05 1itg h MET 178 N 0.00 0.80 -0.50 1.46 2.86 -0.34 -2.08 114.93 117.13 1itg h MET 178 Ca -0.00 -0.60 -0.10 0.00 -2.06 0.00 0.00 59.70 56.93 1itg h MET 178 Cb 0.77 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 1itg h MET 178 CO 0.05 1.22 -0.09 0.00 1.06 0.00 0.00 176.91 179.15 1itg h ALA 179 N 0.62 0.90 -0.36 6.32 0.00 -0.40 -0.61 119.26 125.73 1itg h ALA 179 Ca -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1itg h ALA 179 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1itg h ALA 179 CO 0.15 0.64 0.05 0.28 0.00 0.00 0.00 179.25 180.37 1itg h VAL 180 N 0.82 1.24 0.33 0.00 2.07 -1.01 0.36 116.25 120.05 1itg h VAL 180 Ca 0.14 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1itg h VAL 180 Cb 0.61 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1itg h VAL 180 CO 0.04 0.29 -0.24 0.15 0.02 0.00 0.00 177.57 177.83 1itg h PHE 181 N 0.44 -0.63 -0.13 1.57 3.04 -1.17 0.37 116.94 120.42 1itg h PHE 181 Ca 0.11 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.10 1itg h PHE 181 Cb 0.37 0.23 -0.04 0.00 2.56 0.00 0.00 35.95 39.07 1itg h PHE 181 CO 0.03 -0.36 -0.13 0.82 -2.02 0.00 0.00 178.31 176.64 1itg h ILE 182 N -0.57 0.63 -0.32 1.41 2.04 -1.04 -0.60 117.51 119.06 1itg h ILE 182 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1itg h ILE 182 Cb 0.49 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1itg h ILE 182 CO 0.00 0.00 0.18 -0.74 0.00 0.00 0.00 178.15 177.60 1itg h HIS 183 N -0.16 0.34 0.00 1.37 2.76 -0.77 -0.90 115.15 117.78 1itg h HIS 183 Ca 0.09 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.21 1itg h HIS 183 Cb 0.29 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1itg h HIS 183 CO -0.25 0.20 -0.27 -0.91 -1.30 0.00 0.00 177.93 175.39 1itg h ASN 184 N 0.37 0.00 0.67 3.26 2.35 -0.68 -3.24 115.58 118.31 1itg h ASN 184 Ca 0.13 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.73 1itg h ASN 184 Cb 0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1itg h ASN 184 CO -0.07 0.27 -1.44 0.29 -1.65 0.00 0.00 177.43 174.84 1itg n LYS 185 N -3.55 0.62 -1.58 0.81 4.01 -0.25 -1.41 118.16 116.81 1itg n LYS 185 Ca -0.01 0.18 -0.43 0.00 -0.51 0.00 0.00 58.31 57.55 1itg n LYS 185 Cb 0.42 -1.78 -0.03 0.00 -0.51 0.00 0.00 35.03 33.12 1itg n LYS 185 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1itg n LYS 186 N -2.82 1.82 -2.44 1.97 5.02 -0.37 -4.75 118.16 116.58 1itg n LYS 186 Ca -0.09 0.47 -0.41 0.00 -2.02 0.00 0.00 58.31 56.25 1itg n LYS 186 Cb 0.81 -3.21 -0.04 0.00 -0.02 0.00 0.00 35.03 32.57 1itg n LYS 186 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1itg s ARG 187 N 6.55 4.54 -0.53 1.97 0.52 -1.26 -4.36 118.95 126.37 1itg s ARG 187 Ca 1.01 1.80 -0.28 0.00 -0.52 0.00 0.00 55.73 57.75 1itg s ARG 187 Cb -0.35 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 31.86 1itg s ARG 187 CO 0.35 -0.01 1.51 -1.59 0.02 0.00 0.00 175.30 175.58 1itg s LYS 188 N -0.31 3.24 -0.63 3.54 0.00 -0.46 -4.92 119.74 120.20 1itg s LYS 188 Ca 0.51 0.60 -0.26 0.00 0.00 0.00 0.00 55.97 56.82 1itg s LYS 188 Cb -0.31 -4.16 -0.10 0.00 0.00 0.00 0.00 37.83 33.26 1itg s LYS 188 CO 0.36 -2.01 2.40 0.20 0.00 0.00 0.00 175.35 176.31 1itg s GLY 189 N 5.02 -0.61 0.00 0.59 0.00 -1.26 -3.99 107.32 107.07 1itg s GLY 189 Ca 0.58 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.94 1itg s GLY 189 CO 0.26 4.18 0.00 0.61 0.00 0.00 0.00 173.10 178.15 1itg n GLY 190 N 6.37 -0.67 3.69 0.20 0.00 -1.26 -5.03 105.19 108.49 1itg n GLY 190 Ca 0.41 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1itg n GLY 190 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1itg s ILE 191 N -3.59 3.92 -1.07 -0.61 -5.25 -1.26 -2.58 121.20 110.77 1itg s ILE 191 Ca 0.00 1.27 -0.07 0.00 -0.99 0.00 0.00 60.65 60.86 1itg s ILE 191 Cb 0.00 -3.82 0.01 0.00 2.95 0.00 0.00 42.46 41.60 1itg s ILE 191 CO 0.00 -0.01 0.93 0.61 -1.79 0.00 0.00 174.94 174.68 1itg n GLY 192 N 3.56 -0.23 3.45 6.27 0.00 -1.26 -4.81 105.19 112.18 1itg n GLY 192 Ca 0.12 0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 1itg n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1itg n GLY 193 N -1.69 -0.24 3.96 -0.02 0.00 -1.06 -4.89 105.19 101.24 1itg n GLY 193 Ca 0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 1itg n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1itg s TYR 194 N 12.65 2.89 0.23 1.61 1.51 -1.26 -4.43 117.35 130.55 1itg s TYR 194 Ca 0.64 -0.36 0.05 0.00 -1.01 0.00 0.00 57.07 56.39 1itg s TYR 194 Cb -0.01 -2.15 -0.03 0.00 -0.11 0.00 0.00 41.96 39.66 1itg s TYR 194 CO 0.18 -0.16 0.34 -1.54 -1.11 0.00 0.00 175.55 173.25 1itg s SER 195 N -4.21 6.27 0.34 2.29 1.04 -1.26 -1.36 113.70 116.81 1itg s SER 195 Ca 0.49 0.06 0.05 0.00 0.48 0.00 0.00 55.95 57.03 1itg s SER 195 Cb -0.08 -1.84 0.70 0.00 0.10 0.00 0.00 66.02 64.91 1itg s SER 195 CO 0.31 -0.05 1.91 0.00 0.98 0.00 0.00 173.24 176.38 1itg h ALA 196 N 1.31 1.69 -0.84 5.32 0.00 -1.75 0.11 119.26 125.10 1itg h ALA 196 Ca -0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1itg h ALA 196 Cb 1.23 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1itg h ALA 196 CO 0.62 0.14 0.41 0.78 0.00 0.00 0.00 179.25 181.19 1itg h GLY 197 N 0.82 1.29 0.85 0.00 0.00 -1.56 -1.17 103.07 103.30 1itg h GLY 197 Ca 0.39 -0.63 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 1itg h GLY 197 CO -0.16 0.60 -0.35 0.83 0.00 0.00 0.00 176.54 177.46 1itg h GLU 198 N 1.19 0.52 -0.45 4.80 5.08 -1.44 -3.21 114.58 121.07 1itg h GLU 198 Ca 0.29 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1itg h GLU 198 Cb 0.11 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1itg h GLU 198 CO -0.04 0.96 0.19 0.00 -1.00 0.00 0.00 179.01 179.12 1itg h ARG 199 N 0.15 0.38 -0.52 2.33 3.08 -0.49 -1.18 114.38 118.12 1itg h ARG 199 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1itg h ARG 199 Cb 0.95 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 1itg h ARG 199 CO 0.08 0.25 0.34 0.97 -1.07 0.00 0.00 179.97 180.53 1itg h ILE 200 N 0.39 1.14 -0.44 2.04 2.10 -1.30 0.15 117.51 121.60 1itg h ILE 200 Ca 0.21 -0.29 -0.01 0.00 1.08 0.00 0.00 64.86 65.86 1itg h ILE 200 Cb 0.16 0.39 -0.02 0.00 -1.09 0.00 0.00 36.82 36.27 1itg h ILE 200 CO -0.18 0.14 0.25 0.58 -1.08 0.00 0.00 178.15 177.86 1itg h VAL 201 N 0.71 1.15 0.47 2.19 2.07 -1.47 -0.85 116.25 120.53 1itg h VAL 201 Ca 0.19 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1itg h VAL 201 Cb -0.06 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1itg h VAL 201 CO -0.04 0.15 -0.23 -0.78 0.02 0.00 0.00 177.57 176.69 1itg h ASP 202 N 0.57 -0.54 -0.69 0.57 3.58 -0.93 0.36 116.42 119.35 1itg h ASP 202 Ca 0.15 -0.04 0.15 0.00 0.42 0.00 0.00 57.03 57.71 1itg h ASP 202 Cb 0.02 0.14 -0.11 0.00 1.72 0.00 0.00 39.33 41.10 1itg h ASP 202 CO -0.03 -0.29 0.07 0.40 -2.88 0.00 0.00 179.24 176.51 1itg h ILE 203 N -0.76 0.47 0.02 2.25 2.04 -0.54 -0.82 117.51 120.17 1itg h ILE 203 Ca -0.07 -0.06 -0.22 0.00 1.00 0.00 0.00 64.86 65.52 1itg h ILE 203 Cb 0.55 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1itg h ILE 203 CO 0.11 0.03 -0.95 0.40 0.00 0.00 0.00 178.15 177.74 1itg h ILE 204 N 0.17 1.49 -0.56 -0.67 2.04 -1.08 -3.25 117.51 115.65 1itg h ILE 204 Ca 0.38 -2.69 0.04 0.00 1.00 0.00 0.00 64.86 63.59 1itg h ILE 204 Cb 0.63 2.55 -0.03 0.00 -0.74 0.00 0.00 36.82 39.23 1itg h ILE 204 CO -0.55 0.79 0.37 0.00 0.00 0.00 0.00 178.15 178.76 1itg h ALA 205 N 0.86 1.78 0.00 1.87 0.00 0.11 -2.09 119.26 121.79 1itg h ALA 205 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1itg h ALA 205 Cb 1.60 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1itg h ALA 205 CO 0.15 0.15 0.00 2.41 0.00 0.00 0.00 179.25 181.96 1itg n THR 206 N -4.47 0.91 -2.24 0.00 -1.04 -0.72 -4.75 114.28 101.96 1itg n THR 206 Ca 0.07 -0.10 -0.04 0.00 -2.04 0.00 0.00 64.05 61.94 1itg n THR 206 Cb 0.18 -1.00 -0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1itg n THR 206 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1itg n ASP 207 N 0.93 -1.67 0.05 8.00 8.00 -0.78 -4.83 116.55 126.24 1itg n ASP 207 Ca 0.00 0.36 -0.09 0.00 0.71 0.00 0.00 54.79 55.77 1itg n ASP 207 Cb 0.35 -1.59 -0.06 0.00 -0.02 0.00 0.00 41.12 39.81 1itg n ASP 207 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1itg h ILE 208 N 0.00 0.64 0.00 0.53 5.03 -1.71 -3.52 117.51 118.49 1itg h ILE 208 Ca -0.08 -1.13 0.00 0.00 -0.12 0.00 0.00 64.86 63.53 1itg h ILE 208 Cb 0.92 1.12 0.00 0.00 -3.03 0.00 0.00 36.82 35.83 1itg h ILE 208 CO 0.10 0.18 0.00 0.00 -0.68 0.00 0.00 178.15 177.75