#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bl3 n PRO 58 N 0.00 0.22 -0.11 -1.46 -0.04 -1.26 -3.05 135.00 129.30 1bl3 n PRO 58 Ca 0.00 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.67 1bl3 n PRO 58 Cb 0.00 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.19 1bl3 n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bl3 n GLY 59 N 0.61 1.24 3.78 0.55 0.00 -1.26 -4.94 105.19 105.17 1bl3 n GLY 59 Ca 0.09 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1bl3 n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bl3 s ILE 60 N -1.70 5.02 0.02 -0.61 1.01 -1.17 -0.68 121.20 123.10 1bl3 s ILE 60 Ca 0.35 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.99 1bl3 s ILE 60 Cb 0.21 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1bl3 s ILE 60 CO 0.31 0.47 -0.05 0.26 0.00 0.00 0.00 174.94 175.93 1bl3 s TRP 61 N -0.39 0.42 -0.08 3.97 0.52 0.00 -3.16 118.94 120.23 1bl3 s TRP 61 Ca 0.26 -0.34 0.00 0.00 0.02 0.00 0.00 56.10 56.04 1bl3 s TRP 61 Cb -0.17 -0.27 -0.03 0.00 -1.15 0.00 0.00 33.47 31.86 1bl3 s TRP 61 CO 0.14 -0.08 -0.06 -0.65 0.02 0.00 0.00 176.95 176.31 1bl3 s GLN 62 N -0.99 2.88 0.07 4.98 -0.21 0.04 -0.54 119.66 125.88 1bl3 s GLN 62 Ca -0.07 -0.54 0.06 0.00 0.02 0.00 0.00 55.36 54.82 1bl3 s GLN 62 Cb -0.07 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.28 1bl3 s GLN 62 CO -0.00 0.61 -0.16 -0.51 -2.12 0.00 0.00 175.29 173.11 1bl3 s LEU 63 N -0.65 2.25 -0.09 2.90 1.02 -0.78 -0.22 118.68 123.10 1bl3 s LEU 63 Ca 0.10 -0.58 -0.32 0.00 0.02 0.00 0.00 54.13 53.34 1bl3 s LEU 63 Cb -0.11 -0.64 0.12 0.00 0.02 0.00 0.00 46.19 45.58 1bl3 s LEU 63 CO 0.02 -0.01 1.06 -0.62 0.02 0.00 0.00 176.35 176.82 1bl3 s ASP 64 N -1.59 -0.24 -0.06 2.29 2.15 -0.27 -4.43 116.67 114.53 1bl3 s ASP 64 Ca 0.01 -0.01 -0.01 0.00 0.43 0.00 0.00 52.55 52.96 1bl3 s ASP 64 Cb -0.09 0.26 -0.03 0.00 -0.30 0.00 0.00 42.92 42.75 1bl3 s ASP 64 CO 0.02 -0.42 0.02 0.00 -0.17 0.00 0.00 175.17 174.62 1bl3 s THR 66 N -0.97 1.18 0.04 0.00 -1.32 0.77 -4.95 115.64 110.39 1bl3 s THR 66 Ca 0.16 -2.04 0.04 0.00 -1.21 0.00 0.00 61.69 58.63 1bl3 s THR 66 Cb -0.11 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.38 1bl3 s THR 66 CO 0.05 -0.24 -0.12 -1.00 -2.21 0.00 0.00 174.62 171.10 1bl3 s HIS 67 N -3.32 1.03 -0.19 9.09 3.76 -1.26 0.16 115.29 124.55 1bl3 s HIS 67 Ca 0.31 -0.37 -0.16 0.00 -0.15 0.00 0.00 55.06 54.68 1bl3 s HIS 67 Cb 0.06 -0.61 0.05 0.00 1.11 0.00 0.00 32.58 33.20 1bl3 s HIS 67 CO 0.11 0.01 0.51 -1.17 -0.85 0.00 0.00 174.74 173.35 1bl3 s LEU 68 N -1.19 -0.04 -1.21 0.89 2.96 -0.34 -4.90 118.68 114.85 1bl3 s LEU 68 Ca -0.01 1.04 -0.09 0.00 -0.22 0.00 0.00 54.13 54.85 1bl3 s LEU 68 Cb -0.08 1.74 0.07 0.00 0.50 0.00 0.00 46.19 48.42 1bl3 s LEU 68 CO 0.01 -0.18 0.42 -0.62 -1.32 0.00 0.00 176.35 174.65 1bl3 n GLU 69 N 3.11 -3.12 -1.47 1.98 1.02 -1.26 0.11 120.64 121.00 1bl3 n GLU 69 Ca -0.15 0.44 -0.11 0.00 -0.02 0.00 0.00 57.16 57.31 1bl3 n GLU 69 Cb 0.56 -5.11 -0.04 0.00 -0.02 0.00 0.00 31.44 26.83 1bl3 n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bl3 n GLY 70 N -1.09 1.03 3.46 0.62 0.00 -1.26 -5.01 105.19 102.95 1bl3 n GLY 70 Ca -0.02 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 1bl3 n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bl3 s LYS 71 N -3.22 1.76 -0.13 1.61 1.02 0.29 -5.12 119.74 115.95 1bl3 s LYS 71 Ca 0.00 -1.18 -0.16 0.00 0.02 0.00 0.00 55.97 54.65 1bl3 s LYS 71 Cb 0.00 -2.08 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 1bl3 s LYS 71 CO 0.00 0.48 0.39 0.08 -0.92 0.00 0.00 175.35 175.38 1bl3 s VAL 72 N -1.09 5.23 -0.19 3.17 1.01 -1.26 -1.20 120.40 126.06 1bl3 s VAL 72 Ca 0.17 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.92 1bl3 s VAL 72 Cb -0.10 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.57 1bl3 s VAL 72 CO 0.09 0.37 -0.18 -0.63 0.00 0.00 0.00 175.10 174.75 1bl3 s ILE 73 N 0.46 2.19 -0.22 2.22 1.01 0.12 -0.96 121.20 126.02 1bl3 s ILE 73 Ca 0.22 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.68 1bl3 s ILE 73 Cb -0.14 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.34 1bl3 s ILE 73 CO 0.08 0.47 0.65 -0.22 0.00 0.00 0.00 174.94 175.91 1bl3 s LEU 74 N 1.29 4.12 -0.03 2.97 2.96 -0.52 -0.16 118.68 129.31 1bl3 s LEU 74 Ca 0.04 0.82 0.06 0.00 -0.22 0.00 0.00 54.13 54.82 1bl3 s LEU 74 Cb -0.14 -2.91 -0.02 0.00 0.50 0.00 0.00 46.19 43.62 1bl3 s LEU 74 CO -0.11 -0.32 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.70 1bl3 s VAL 75 N 2.16 2.54 -0.09 1.68 1.01 0.11 -1.88 120.40 125.93 1bl3 s VAL 75 Ca 0.29 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1bl3 s VAL 75 Cb -0.16 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.29 1bl3 s VAL 75 CO 0.10 0.56 -0.09 0.00 0.00 0.00 0.00 175.10 175.66 1bl3 s ALA 76 N -0.69 1.27 -0.11 5.51 0.00 0.41 -1.11 121.76 127.04 1bl3 s ALA 76 Ca 0.11 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.62 1bl3 s ALA 76 Cb -0.10 -0.74 -0.01 0.00 0.00 0.00 0.00 23.12 22.27 1bl3 s ALA 76 CO 0.00 -0.17 -0.18 0.08 0.00 0.00 0.00 175.76 175.50 1bl3 s VAL 77 N 1.22 2.63 -0.76 0.00 1.01 0.70 -1.07 120.40 124.13 1bl3 s VAL 77 Ca -0.04 -0.82 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 1bl3 s VAL 77 Cb -0.14 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 34.23 1bl3 s VAL 77 CO -0.03 0.54 1.18 -2.28 0.00 0.00 0.00 175.10 174.51 1bl3 s HIS 78 N 0.30 2.51 0.22 5.22 2.46 -0.08 -0.78 115.29 125.13 1bl3 s HIS 78 Ca -0.13 -0.42 -0.20 0.00 0.47 0.00 0.00 55.06 54.78 1bl3 s HIS 78 Cb -0.17 -4.50 0.19 0.00 -0.13 0.00 0.00 32.58 27.98 1bl3 s HIS 78 CO 0.07 -1.87 1.55 0.28 -2.47 0.00 0.00 174.74 172.30 1bl3 h VAL 79 N 6.09 0.02 -0.96 0.89 2.07 -1.85 0.44 116.25 122.94 1bl3 h VAL 79 Ca -0.19 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.50 1bl3 h VAL 79 Cb 1.05 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 1bl3 h VAL 79 CO 1.25 0.00 0.61 0.00 0.02 0.00 0.00 177.57 179.45 1bl3 h ALA 80 N 1.22 1.79 0.00 1.67 0.00 -1.81 -3.31 119.26 118.82 1bl3 h ALA 80 Ca 0.31 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 1bl3 h ALA 80 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1bl3 h ALA 80 CO -0.95 -0.10 -1.61 -1.13 0.00 0.00 0.00 179.25 175.46 1bl3 n SER 81 N -4.64 2.53 0.00 0.00 3.41 -0.43 -5.00 113.62 109.47 1bl3 n SER 81 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1bl3 n SER 81 Cb 0.54 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.56 1bl3 n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bl3 n GLY 82 N 2.17 0.80 3.74 5.00 0.00 0.02 -4.74 105.19 112.18 1bl3 n GLY 82 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 1bl3 n GLY 82 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bl3 n TYR 83 N -2.00 2.27 -4.11 1.61 4.19 -1.26 -4.75 117.16 113.10 1bl3 n TYR 83 Ca 0.00 0.43 -0.09 0.00 3.31 0.00 0.00 57.90 61.55 1bl3 n TYR 83 Cb 0.00 -2.35 -0.10 0.00 0.49 0.00 0.00 39.34 37.38 1bl3 n TYR 83 CO 0.00 0.00 0.00 0.96 0.91 0.00 0.00 176.86 178.73 1bl3 s ILE 84 N -1.30 0.11 -0.01 2.97 -4.36 -1.26 -0.90 121.20 116.45 1bl3 s ILE 84 Ca 0.73 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 59.30 1bl3 s ILE 84 Cb -0.41 -1.94 0.00 0.00 1.25 0.00 0.00 42.46 41.36 1bl3 s ILE 84 CO 0.48 -0.52 -0.01 -1.61 0.24 0.00 0.00 174.94 173.52 1bl3 s GLU 85 N -4.02 0.09 0.07 0.37 2.02 -0.23 -4.95 118.70 112.05 1bl3 s GLU 85 Ca 0.21 -0.00 -0.12 0.00 0.02 0.00 0.00 54.97 55.08 1bl3 s GLU 85 Cb 0.07 -0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.18 1bl3 s GLU 85 CO -0.00 -0.01 0.26 0.00 0.02 0.00 0.00 175.26 175.53 1bl3 s ALA 86 N 0.18 -0.52 -0.28 5.21 0.00 -1.26 -0.44 121.76 124.65 1bl3 s ALA 86 Ca -0.01 -0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.45 1bl3 s ALA 86 Cb -0.03 0.42 0.12 0.00 0.00 0.00 0.00 23.12 23.63 1bl3 s ALA 86 CO -0.01 -0.47 0.99 -2.00 0.00 0.00 0.00 175.76 174.28 1bl3 s GLU 87 N -3.15 0.54 0.04 0.00 2.12 -0.79 -4.81 118.70 112.66 1bl3 s GLU 87 Ca -0.01 0.66 -0.30 0.00 0.36 0.00 0.00 54.97 55.68 1bl3 s GLU 87 Cb 0.01 0.26 -0.05 0.00 0.26 0.00 0.00 34.13 34.61 1bl3 s GLU 87 CO -0.07 -0.07 1.19 0.08 -0.54 0.00 0.00 175.26 175.85 1bl3 s VAL 88 N 0.30 4.13 0.05 3.70 1.01 -1.26 -1.44 120.40 126.90 1bl3 s VAL 88 Ca 0.02 1.52 0.06 0.00 0.00 0.00 0.00 61.98 63.58 1bl3 s VAL 88 Cb -0.05 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1bl3 s VAL 88 CO -0.06 0.10 -0.11 0.27 0.00 0.00 0.00 175.10 175.30 1bl3 s ILE 89 N 1.27 3.30 0.43 2.22 -4.36 -0.13 -4.95 121.20 118.98 1bl3 s ILE 89 Ca 0.58 -1.09 0.10 0.00 -0.26 0.00 0.00 60.65 59.99 1bl3 s ILE 89 Cb -0.28 -2.47 0.28 0.00 1.25 0.00 0.00 42.46 41.24 1bl3 s ILE 89 CO 0.28 0.27 2.05 1.55 0.24 0.00 0.00 174.94 179.33 1bl3 h PRO 90 N 4.16 0.42 -3.12 0.37 0.13 -1.95 -3.38 132.00 128.63 1bl3 h PRO 90 Ca -0.48 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.50 1bl3 h PRO 90 Cb 1.16 -0.10 -0.20 0.00 0.13 0.00 0.00 31.00 32.00 1bl3 h PRO 90 CO 0.51 0.28 -0.31 0.00 -0.23 0.00 0.00 178.00 178.26 1bl3 s ALA 91 N -5.40 -0.71 -1.40 -0.56 0.00 -1.26 -4.93 121.76 107.49 1bl3 s ALA 91 Ca -0.08 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1bl3 s ALA 91 Cb 0.18 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.48 1bl3 s ALA 91 CO 0.73 -0.26 2.17 -1.91 0.00 0.00 0.00 175.76 176.48 1bl3 n GLU 92 N 1.25 3.27 -4.41 0.00 2.13 -1.26 -4.70 120.64 116.92 1bl3 n GLU 92 Ca -0.22 -2.94 -0.20 0.00 0.66 0.00 0.00 57.16 54.46 1bl3 n GLU 92 Cb 0.56 -3.09 -0.10 0.00 0.27 0.00 0.00 31.44 29.07 1bl3 n GLU 92 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1bl3 s THR 93 N 1.92 1.53 0.32 6.31 -4.23 -1.26 -4.58 115.64 115.65 1bl3 s THR 93 Ca 0.46 -2.11 0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1bl3 s THR 93 Cb 0.13 -2.43 0.12 0.00 1.34 0.00 0.00 72.50 71.65 1bl3 s THR 93 CO -0.05 -0.30 1.81 1.23 -0.54 0.00 0.00 174.62 176.77 1bl3 h GLY 94 N 2.31 0.48 0.99 3.99 0.00 -1.88 0.50 103.07 109.46 1bl3 h GLY 94 Ca -0.40 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 1bl3 h GLY 94 CO 0.67 0.31 0.28 0.06 0.00 0.00 0.00 176.54 177.86 1bl3 h GLN 95 N 0.42 0.63 -0.12 4.80 3.07 -1.94 0.76 115.11 122.72 1bl3 h GLN 95 Ca 0.08 -0.05 -0.17 0.00 0.09 0.00 0.00 58.65 58.59 1bl3 h GLN 95 Cb 0.49 -0.13 0.01 0.00 0.08 0.00 0.00 27.48 27.93 1bl3 h GLN 95 CO 0.03 0.46 -0.60 0.93 0.09 0.00 0.00 178.83 179.74 1bl3 h GLU 96 N 0.62 0.62 -0.50 0.06 4.39 -1.78 -2.66 114.58 115.33 1bl3 h GLU 96 Ca 0.17 -0.50 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 1bl3 h GLU 96 Cb -0.01 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 1bl3 h GLU 96 CO -0.03 1.13 0.15 1.15 -1.16 0.00 0.00 179.01 180.25 1bl3 h THR 97 N 0.27 1.23 -0.41 1.13 2.02 -0.74 -1.86 112.91 114.55 1bl3 h THR 97 Ca -0.04 -0.78 -0.02 0.00 0.77 0.00 0.00 66.41 66.34 1bl3 h THR 97 Cb 1.24 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1bl3 h THR 97 CO 0.12 0.29 0.19 0.00 0.37 0.00 0.00 175.52 176.49 1bl3 h ALA 98 N 1.01 0.53 -0.74 6.16 0.00 0.50 -0.07 119.26 126.66 1bl3 h ALA 98 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1bl3 h ALA 98 Cb 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1bl3 h ALA 98 CO -0.00 0.10 0.44 -0.92 0.00 0.00 0.00 179.25 178.87 1bl3 h TYR 99 N 0.53 0.98 -0.20 0.00 3.20 -1.40 0.21 116.97 120.29 1bl3 h TYR 99 Ca 0.14 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1bl3 h TYR 99 Cb 0.14 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1bl3 h TYR 99 CO -0.01 0.67 0.07 0.35 -1.64 0.00 0.00 178.16 177.59 1bl3 h PHE 100 N 1.01 0.32 -0.87 -3.82 3.04 -1.09 -2.53 116.94 112.99 1bl3 h PHE 100 Ca 0.26 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.19 1bl3 h PHE 100 Cb -0.02 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.35 1bl3 h PHE 100 CO -0.01 0.39 0.57 1.25 -2.02 0.00 0.00 178.31 178.49 1bl3 h LEU 101 N 0.15 1.01 -1.20 0.59 5.85 -0.58 -1.15 115.31 119.99 1bl3 h LEU 101 Ca 0.06 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1bl3 h LEU 101 Cb 0.22 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1bl3 h LEU 101 CO -0.00 0.74 0.03 -0.07 -0.34 0.00 0.00 178.44 178.79 1bl3 h LEU 102 N 1.19 0.54 -0.14 2.25 3.38 -0.45 0.43 115.31 122.51 1bl3 h LEU 102 Ca 0.32 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1bl3 h LEU 102 Cb -0.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 1bl3 h LEU 102 CO -0.07 0.59 -0.22 0.11 0.09 0.00 0.00 178.44 178.95 1bl3 h LYS 103 N 0.55 0.39 -0.15 1.13 1.57 -1.01 -2.61 116.57 116.44 1bl3 h LYS 103 Ca 0.12 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1bl3 h LYS 103 Cb 0.32 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1bl3 h LYS 103 CO 0.01 0.82 -0.03 1.25 -0.57 0.00 0.00 179.45 180.93 1bl3 h LEU 104 N -0.01 -0.13 -2.50 2.94 5.85 -0.90 -2.29 115.31 118.27 1bl3 h LEU 104 Ca 0.01 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1bl3 h LEU 104 Cb 0.79 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1bl3 h LEU 104 CO 0.05 -0.05 -0.00 0.00 -0.34 0.00 0.00 178.44 178.10 1bl3 h ALA 105 N 1.15 1.49 0.00 1.25 0.00 -0.92 -1.38 119.26 120.85 1bl3 h ALA 105 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bl3 h ALA 105 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1bl3 h ALA 105 CO -0.15 0.00 0.00 0.78 0.00 0.00 0.00 179.25 179.88 1bl3 h GLY 106 N 0.01 0.00 0.00 0.00 0.00 -1.01 -3.36 103.07 98.71 1bl3 h GLY 106 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1bl3 h GLY 106 CO 0.00 0.00 -1.95 -0.96 0.00 0.00 0.00 176.54 173.63 1bl3 n ARG 107 N -2.61 1.51 -4.44 4.80 1.85 -0.57 -5.01 116.66 112.19 1bl3 n ARG 107 Ca 0.04 0.01 -0.25 0.00 -1.00 0.00 0.00 57.85 56.66 1bl3 n ARG 107 Cb 0.43 -1.35 -0.11 0.00 -1.05 0.00 0.00 32.46 30.39 1bl3 n ARG 107 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1bl3 s TRP 108 N -2.33 2.24 -0.95 2.89 0.52 -0.91 -5.06 118.94 115.33 1bl3 s TRP 108 Ca -0.10 -0.36 -0.21 0.00 0.02 0.00 0.00 56.10 55.45 1bl3 s TRP 108 Cb 0.04 -1.04 0.10 0.00 -1.15 0.00 0.00 33.47 31.42 1bl3 s TRP 108 CO 0.53 0.59 1.24 -1.25 0.02 0.00 0.00 176.95 178.07 1bl3 s PRO 109 N -3.12 3.57 -0.09 4.98 0.04 -1.26 -4.53 135.00 134.59 1bl3 s PRO 109 Ca 0.25 -1.47 -0.24 0.00 0.04 0.00 0.00 61.00 59.58 1bl3 s PRO 109 Cb -0.06 -5.04 -0.03 0.00 0.04 0.00 0.00 34.50 29.41 1bl3 s PRO 109 CO 0.12 -1.94 0.73 0.08 0.04 0.00 0.00 177.00 176.03 1bl3 s VAL 110 N 3.62 5.01 -0.05 -0.36 1.01 -1.26 -4.47 120.40 123.89 1bl3 s VAL 110 Ca 0.37 1.49 0.01 0.00 0.00 0.00 0.00 61.98 63.85 1bl3 s VAL 110 Cb -0.04 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1bl3 s VAL 110 CO -0.08 0.20 -0.04 0.29 0.00 0.00 0.00 175.10 175.46 1bl3 n LYS 111 N 4.09 0.42 -4.18 2.72 4.76 0.15 -4.67 118.16 121.45 1bl3 n LYS 111 Ca 0.00 0.03 -0.18 0.00 -2.87 0.00 0.00 58.31 55.29 1bl3 n LYS 111 Cb 0.51 -1.11 -0.15 0.00 -1.84 0.00 0.00 35.03 32.44 1bl3 n LYS 111 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1bl3 s THR 112 N -2.11 0.48 -0.12 -0.18 2.01 -0.78 0.63 115.64 115.57 1bl3 s THR 112 Ca -0.07 -0.20 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1bl3 s THR 112 Cb 0.02 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 72.10 1bl3 s THR 112 CO 0.13 0.16 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.37 1bl3 s VAL 113 N 0.25 1.64 -0.26 3.82 1.01 -0.26 -0.82 120.40 125.80 1bl3 s VAL 113 Ca -0.03 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 1bl3 s VAL 113 Cb -0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1bl3 s VAL 113 CO -0.00 0.47 0.08 -1.00 0.00 0.00 0.00 175.10 174.65 1bl3 s HIS 114 N 1.01 3.10 0.24 5.22 3.76 0.30 -1.61 115.29 127.30 1bl3 s HIS 114 Ca -0.05 -0.43 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 1bl3 s HIS 114 Cb -0.15 -2.25 -0.05 0.00 1.11 0.00 0.00 32.58 31.24 1bl3 s HIS 114 CO -0.03 -0.36 0.05 0.95 -0.85 0.00 0.00 174.74 174.50 1bl3 s THR 115 N 1.62 0.74 0.37 1.30 -4.23 -0.51 -1.87 115.64 113.05 1bl3 s THR 115 Ca 0.06 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.51 1bl3 s THR 115 Cb -0.15 -2.46 0.08 0.00 1.34 0.00 0.00 72.50 71.31 1bl3 s THR 115 CO 0.04 -0.19 0.48 -0.90 -0.54 0.00 0.00 174.62 173.51 1bl3 n ASP 116 N -0.42 -0.09 -1.19 3.99 5.68 -1.26 -4.08 116.55 119.18 1bl3 n ASP 116 Ca -0.03 -1.14 -0.04 0.00 -0.50 0.00 0.00 54.79 53.09 1bl3 n ASP 116 Cb 0.65 -0.37 0.08 0.00 -1.14 0.00 0.00 41.12 40.33 1bl3 n ASP 116 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1bl3 n ASN 117 N -3.35 2.90 -4.62 -1.12 3.02 -1.26 -4.78 115.26 106.05 1bl3 n ASN 117 Ca 0.06 -2.39 -0.46 0.00 -0.03 0.00 0.00 54.58 51.76 1bl3 n ASN 117 Cb 0.21 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 1bl3 n ASN 117 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bl3 n GLY 118 N 0.08 0.24 0.37 7.41 0.00 -1.26 -4.70 105.19 107.34 1bl3 n GLY 118 Ca 0.14 0.45 0.21 0.00 0.00 0.00 0.00 46.02 46.82 1bl3 n GLY 118 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1bl3 h SER 119 N 3.22 0.55 0.82 1.61 0.87 -1.95 0.28 113.55 118.94 1bl3 h SER 119 Ca -0.43 0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.11 1bl3 h SER 119 Cb 1.32 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.30 1bl3 h SER 119 CO 0.69 0.05 -0.69 -0.55 -0.53 0.00 0.00 176.83 175.79 1bl3 h ASN 120 N 0.45 0.00 1.16 6.23 -1.07 -1.88 -3.15 115.58 117.31 1bl3 h ASN 120 Ca 0.65 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.90 1bl3 h ASN 120 Cb 1.47 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.70 1bl3 h ASN 120 CO -0.42 0.69 -0.59 -0.26 0.07 0.00 0.00 177.43 176.92 1bl3 h PHE 121 N 0.00 0.00 -0.64 4.14 0.04 -0.82 -3.19 116.94 116.46 1bl3 h PHE 121 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1bl3 h PHE 121 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1bl3 h PHE 121 CO 0.00 0.59 0.00 0.25 -0.60 0.00 0.00 178.31 178.55 1bl3 n THR 122 N -3.37 1.28 -2.33 -1.55 -2.24 -0.64 -4.78 114.28 100.65 1bl3 n THR 122 Ca 0.01 -0.99 -0.35 0.00 -2.27 0.00 0.00 64.05 60.45 1bl3 n THR 122 Cb 0.71 0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 69.21 1bl3 n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bl3 s SER 123 N -0.93 5.93 0.40 3.42 1.04 -1.19 -4.92 113.70 117.45 1bl3 s SER 123 Ca 0.46 2.13 0.18 0.00 0.48 0.00 0.00 55.95 59.19 1bl3 s SER 123 Cb 0.27 -2.58 0.85 0.00 0.10 0.00 0.00 66.02 64.66 1bl3 s SER 123 CO 0.27 -1.07 1.84 0.71 0.98 0.00 0.00 173.24 175.97 1bl3 h THR 124 N 1.36 1.00 -0.30 2.02 1.35 -1.92 -0.67 112.91 115.76 1bl3 h THR 124 Ca -0.50 -1.23 -0.11 0.00 -0.55 0.00 0.00 66.41 64.02 1bl3 h THR 124 Cb 1.25 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 1bl3 h THR 124 CO 0.58 0.32 -0.29 0.00 -0.25 0.00 0.00 175.52 175.88 1bl3 h THR 125 N 0.00 1.28 -0.04 6.82 1.03 -1.91 0.29 112.91 120.37 1bl3 h THR 125 Ca -0.00 -1.39 -0.22 0.00 -0.01 0.00 0.00 66.41 64.78 1bl3 h THR 125 Cb 0.68 1.37 0.01 0.00 -1.07 0.00 0.00 68.15 69.13 1bl3 h THR 125 CO 0.04 0.45 -0.89 0.58 -0.01 0.00 0.00 175.52 175.69 1bl3 h VAL 126 N 0.52 1.35 -0.78 0.00 2.07 -1.63 -2.65 116.25 115.13 1bl3 h VAL 126 Ca 0.07 -2.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 1bl3 h VAL 126 Cb 0.77 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.77 1bl3 h VAL 126 CO 0.06 0.69 0.46 0.50 0.02 0.00 0.00 177.57 179.30 1bl3 h LYS 127 N 0.32 1.07 -0.67 1.57 3.64 -0.79 -1.07 116.57 120.64 1bl3 h LYS 127 Ca -0.07 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1bl3 h LYS 127 Cb 1.51 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.08 1bl3 h LYS 127 CO 0.16 0.77 0.18 0.00 -2.27 0.00 0.00 179.45 178.29 1bl3 h ALA 128 N 1.24 1.04 -0.21 5.00 0.00 -0.37 0.13 119.26 126.09 1bl3 h ALA 128 Ca 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1bl3 h ALA 128 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1bl3 h ALA 128 CO -0.05 0.64 0.12 0.00 0.00 0.00 0.00 179.25 179.95 1bl3 h ALA 129 N 1.17 0.27 -0.82 0.00 0.00 -1.05 0.22 119.26 119.05 1bl3 h ALA 129 Ca 0.22 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1bl3 h ALA 129 Cb 0.34 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1bl3 h ALA 129 CO -0.00 -0.20 0.47 0.00 0.00 0.00 0.00 179.25 179.52 1bl3 h TRP 131 N 1.14 0.16 -0.65 0.00 6.55 -0.27 0.62 115.95 123.50 1bl3 h TRP 131 Ca 0.29 -0.00 -0.04 0.00 0.95 0.00 0.00 58.89 60.09 1bl3 h TRP 131 Cb -0.00 -0.05 -0.03 0.00 -0.86 0.00 0.00 29.16 28.22 1bl3 h TRP 131 CO 0.00 0.15 0.23 2.35 -1.05 0.00 0.00 178.44 180.12 1bl3 h TRP 132 N 0.13 1.02 -0.00 0.49 7.01 0.01 -2.92 115.95 121.68 1bl3 h TRP 132 Ca 0.04 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.95 1bl3 h TRP 132 Cb 0.03 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 26.79 1bl3 h TRP 132 CO -0.05 0.81 -0.16 0.00 -2.79 0.00 0.00 178.44 176.24 1bl3 n ALA 133 N -2.40 2.83 -2.76 2.65 0.00 0.15 -4.94 120.51 116.05 1bl3 n ALA 133 Ca 0.04 -0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 1bl3 n ALA 133 Cb 0.19 -1.31 0.04 0.00 0.00 0.00 0.00 19.45 18.37 1bl3 n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bl3 n GLY 134 N 1.36 0.09 3.46 0.00 0.00 0.18 -5.00 105.19 105.27 1bl3 n GLY 134 Ca 0.11 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 1bl3 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bl3 s ILE 135 N -3.17 3.20 0.12 -0.61 1.01 0.84 -4.72 121.20 117.87 1bl3 s ILE 135 Ca 0.06 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 1bl3 s ILE 135 Cb -0.03 -2.30 -0.07 0.00 0.01 0.00 0.00 42.46 40.07 1bl3 s ILE 135 CO 0.35 0.56 0.58 -0.75 0.00 0.00 0.00 174.94 175.69 1bl3 s LYS 136 N -0.30 4.12 -0.12 2.79 2.20 0.20 -4.51 119.74 124.12 1bl3 s LYS 136 Ca 0.03 0.65 -0.01 0.00 -0.36 0.00 0.00 55.97 56.28 1bl3 s LYS 136 Cb -0.13 -3.06 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 1bl3 s LYS 136 CO 0.03 0.54 -0.10 -0.65 -0.36 0.00 0.00 175.35 174.81 1bl3 s GLN 137 N -1.58 3.34 -0.10 4.03 -0.21 -1.26 -1.10 119.66 122.79 1bl3 s GLN 137 Ca 0.34 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 55.12 1bl3 s GLN 137 Cb -0.17 -2.70 0.02 0.00 1.00 0.00 0.00 33.01 31.16 1bl3 s GLN 137 CO 0.19 0.30 -0.11 -1.21 -2.12 0.00 0.00 175.29 172.35 1bl3 s GLU 138 N 0.14 1.76 -0.73 2.91 0.41 -0.63 -4.97 118.70 117.59 1bl3 s GLU 138 Ca -0.05 -0.39 -0.09 0.00 -0.41 0.00 0.00 54.97 54.03 1bl3 s GLU 138 Cb -0.14 -1.61 0.19 0.00 -1.78 0.00 0.00 34.13 30.79 1bl3 s GLU 138 CO 0.04 -0.12 0.61 -0.06 -0.49 0.00 0.00 175.26 175.24 1bl3 s PHE 139 N 1.18 3.59 0.00 1.61 0.40 -1.26 -1.43 117.98 122.08 1bl3 s PHE 139 Ca -0.04 -2.28 0.00 0.00 -0.60 0.00 0.00 56.93 54.01 1bl3 s PHE 139 Cb -0.14 -3.55 0.00 0.00 0.51 0.00 0.00 43.02 39.84 1bl3 s PHE 139 CO -0.03 -0.93 0.00 0.28 0.70 0.00 0.00 175.22 175.24 1bl3 n VAL 150 N 3.82 0.00 0.15 -0.44 0.31 -1.26 -4.85 118.33 116.06 1bl3 n VAL 150 Ca 0.10 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.46 1bl3 n VAL 150 Cb 0.43 0.00 0.40 0.00 -0.91 0.00 0.00 33.84 33.75 1bl3 n VAL 150 CO 0.00 0.00 0.00 -0.29 -1.32 0.00 0.00 176.83 175.22 1bl3 h ILE 151 N 0.00 1.19 0.08 2.52 6.09 -1.96 0.10 117.51 125.53 1bl3 h ILE 151 Ca 0.00 -0.87 -0.00 0.00 -1.37 0.00 0.00 64.86 62.62 1bl3 h ILE 151 Cb 0.00 1.34 -0.00 0.00 0.47 0.00 0.00 36.82 38.63 1bl3 h ILE 151 CO 0.00 0.26 -0.06 -0.08 -3.07 0.00 0.00 178.15 175.21 1bl3 h GLU 152 N 0.14 -0.13 -0.70 2.19 4.57 -2.00 -0.34 114.58 118.31 1bl3 h GLU 152 Ca 0.03 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1bl3 h GLU 152 Cb 0.44 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1bl3 h GLU 152 CO 0.03 -0.09 0.40 0.77 -1.18 0.00 0.00 179.01 178.94 1bl3 h SER 153 N -0.14 0.86 -0.84 1.04 0.02 -1.89 -2.29 113.55 110.32 1bl3 h SER 153 Ca -0.00 -0.08 0.15 0.00 -0.84 0.00 0.00 61.79 61.02 1bl3 h SER 153 Cb 0.12 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 1bl3 h SER 153 CO -0.00 0.69 0.55 0.24 -1.14 0.00 0.00 176.83 177.17 1bl3 h MET 154 N 0.96 0.53 -0.32 3.45 2.86 -0.08 0.22 114.93 122.54 1bl3 h MET 154 Ca 0.25 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.75 1bl3 h MET 154 Cb 0.01 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1bl3 h MET 154 CO -0.04 0.35 -0.26 -0.91 1.06 0.00 0.00 176.91 177.10 1bl3 h ASN 155 N 0.54 0.67 -0.09 1.22 4.21 -0.49 0.17 115.58 121.81 1bl3 h ASN 155 Ca 0.42 -0.24 -0.04 0.00 1.21 0.00 0.00 56.30 57.64 1bl3 h ASN 155 Cb 0.83 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.85 1bl3 h ASN 155 CO -0.17 0.90 -0.12 0.50 -1.29 0.00 0.00 177.43 177.26 1bl3 h LYS 156 N 0.57 0.23 -0.39 0.81 3.64 -1.14 -1.82 116.57 118.46 1bl3 h LYS 156 Ca 0.08 -0.13 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1bl3 h LYS 156 Cb 0.74 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.50 1bl3 h LYS 156 CO 0.06 0.69 -0.03 1.49 -2.27 0.00 0.00 179.45 179.39 1bl3 h GLU 157 N -0.21 0.07 0.02 1.90 4.57 -0.79 -2.04 114.58 118.11 1bl3 h GLU 157 Ca 0.01 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bl3 h GLU 157 Cb 0.66 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1bl3 h GLU 157 CO 0.03 0.05 -0.01 1.25 -1.18 0.00 0.00 179.01 179.14 1bl3 h LEU 158 N 0.07 -0.03 -1.69 1.64 5.85 -0.65 -2.79 115.31 117.71 1bl3 h LEU 158 Ca 0.19 -0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.95 1bl3 h LEU 158 Cb 0.28 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1bl3 h LEU 158 CO -0.35 0.07 0.41 0.11 -0.34 0.00 0.00 178.44 178.35 1bl3 h LYS 159 N -0.12 0.33 -0.28 1.25 1.57 -0.95 -1.50 116.57 116.87 1bl3 h LYS 159 Ca -0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1bl3 h LYS 159 Cb 0.11 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1bl3 h LYS 159 CO 0.01 0.22 -0.04 -0.22 -0.57 0.00 0.00 179.45 178.84 1bl3 h LYS 160 N 0.34 0.52 -0.39 3.15 3.64 -1.12 -2.38 116.57 120.32 1bl3 h LYS 160 Ca 0.29 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1bl3 h LYS 160 Cb 0.68 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1bl3 h LYS 160 CO -0.07 0.71 -0.08 0.82 -2.27 0.00 0.00 179.45 178.56 1bl3 h ILE 161 N 0.29 1.24 -0.84 2.00 2.04 -1.13 -2.84 117.51 118.27 1bl3 h ILE 161 Ca 0.08 -1.05 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1bl3 h ILE 161 Cb 0.49 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1bl3 h ILE 161 CO 0.02 0.36 0.55 0.40 0.00 0.00 0.00 178.15 179.48 1bl3 h ILE 162 N 0.62 1.22 -0.75 -0.67 2.04 -1.11 -2.09 117.51 116.77 1bl3 h ILE 162 Ca 0.11 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1bl3 h ILE 162 Cb 0.50 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1bl3 h ILE 162 CO 0.03 0.22 0.40 1.23 0.00 0.00 0.00 178.15 180.02 1bl3 h GLY 163 N 1.14 1.12 2.00 5.37 0.00 -1.19 0.67 103.07 112.18 1bl3 h GLY 163 Ca 0.31 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1bl3 h GLY 163 CO -0.06 0.49 -0.16 1.46 0.00 0.00 0.00 176.54 178.26 1bl3 h GLN 164 N 1.05 0.00 -0.00 4.80 4.20 -1.27 -3.20 115.11 120.70 1bl3 h GLN 164 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1bl3 h GLN 164 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1bl3 h GLN 164 CO -0.04 0.16 -0.20 1.33 -0.67 0.00 0.00 178.83 179.41 1bl3 n VAL 165 N -3.55 0.00 -0.25 -0.54 0.24 -0.93 -4.78 118.33 108.52 1bl3 n VAL 165 Ca -0.01 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.34 61.83 1bl3 n VAL 165 Cb 0.31 1.02 -0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1bl3 n VAL 165 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1bl3 h ARG 166 N 0.21 -0.14 -0.28 7.34 9.65 0.34 0.63 114.38 132.14 1bl3 h ARG 166 Ca 0.00 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.97 1bl3 h ARG 166 Cb 0.14 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1bl3 h ARG 166 CO 0.00 -0.09 0.20 0.38 2.80 0.00 0.00 179.97 183.26 1bl3 h ASP 167 N -0.14 0.01 0.51 -3.80 2.03 -1.85 -1.08 116.42 112.10 1bl3 h ASP 167 Ca 0.24 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.54 1bl3 h ASP 167 Cb 0.56 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.06 1bl3 h ASP 167 CO -0.76 0.01 0.00 0.00 -1.03 0.00 0.00 179.24 177.45 1bl3 n GLN 168 N -4.46 0.15 -4.21 4.15 6.02 0.22 -4.74 117.38 114.51 1bl3 n GLN 168 Ca 0.04 0.45 -0.18 0.00 -0.01 0.00 0.00 57.00 57.29 1bl3 n GLN 168 Cb 0.35 -1.82 -0.11 0.00 1.02 0.00 0.00 30.24 29.68 1bl3 n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bl3 s ALA 169 N -3.30 1.34 -0.09 -1.58 0.00 -0.41 -5.07 121.76 112.65 1bl3 s ALA 169 Ca 0.03 -1.17 -0.23 0.00 0.00 0.00 0.00 51.96 50.59 1bl3 s ALA 169 Cb 0.08 -0.08 -0.19 0.00 0.00 0.00 0.00 23.12 22.93 1bl3 s ALA 169 CO 0.31 0.12 0.81 1.49 0.00 0.00 0.00 175.76 178.49 1bl3 h GLU 170 N 3.82 -0.06 -5.70 0.00 4.81 -1.85 -3.46 114.58 112.14 1bl3 h GLU 170 Ca -0.40 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.16 1bl3 h GLU 170 Cb 1.19 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.50 1bl3 h GLU 170 CO 0.47 0.58 -0.50 -1.01 -0.73 0.00 0.00 179.01 177.81 1bl3 s HIS 171 N -2.87 3.52 0.41 0.92 3.76 -1.26 -4.97 115.29 114.80 1bl3 s HIS 171 Ca -0.15 0.47 0.15 0.00 -0.15 0.00 0.00 55.06 55.39 1bl3 s HIS 171 Cb -0.01 -1.91 1.03 0.00 1.11 0.00 0.00 32.58 32.80 1bl3 s HIS 171 CO 0.55 0.69 1.87 1.25 -0.85 0.00 0.00 174.74 178.25 1bl3 h LEU 172 N 4.99 0.45 -0.64 0.89 5.85 -1.94 -2.10 115.31 122.80 1bl3 h LEU 172 Ca -0.54 0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.30 1bl3 h LEU 172 Cb 1.22 -0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.10 1bl3 h LEU 172 CO 0.57 0.20 -0.51 0.50 -0.34 0.00 0.00 178.44 178.87 1bl3 h LYS 173 N 0.46 -0.21 0.00 1.25 3.64 -1.97 0.14 116.57 119.87 1bl3 h LYS 173 Ca 0.45 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.73 1bl3 h LYS 173 Cb 1.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 1bl3 h LYS 173 CO -0.17 -0.14 -0.52 1.79 -2.27 0.00 0.00 179.45 178.13 1bl3 h THR 174 N -0.22 1.07 -0.31 1.00 1.35 -1.81 -3.08 112.91 110.91 1bl3 h THR 174 Ca 0.15 -2.02 -0.07 0.00 -0.55 0.00 0.00 66.41 63.92 1bl3 h THR 174 Cb 0.54 2.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.15 1bl3 h THR 174 CO -0.73 0.51 -0.13 0.00 -0.25 0.00 0.00 175.52 174.92 1bl3 h ALA 175 N 1.48 1.21 -0.66 6.62 0.00 -0.86 -0.26 119.26 126.79 1bl3 h ALA 175 Ca -0.01 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1bl3 h ALA 175 Cb 1.16 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1bl3 h ALA 175 CO 0.07 0.51 0.17 0.28 0.00 0.00 0.00 179.25 180.27 1bl3 h VAL 176 N 0.48 1.26 -0.02 0.00 2.07 -0.71 -0.15 116.25 119.18 1bl3 h VAL 176 Ca 0.09 -0.93 -0.12 0.00 0.82 0.00 0.00 66.70 66.55 1bl3 h VAL 176 Cb 0.51 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1bl3 h VAL 176 CO 0.03 0.35 -0.56 1.56 0.02 0.00 0.00 177.57 178.98 1bl3 h GLN 177 N 0.98 0.06 -0.23 1.57 1.08 -1.42 -0.40 115.11 116.75 1bl3 h GLN 177 Ca 0.21 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.30 1bl3 h GLN 177 Cb 0.35 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 1bl3 h GLN 177 CO 0.00 0.61 -0.12 0.52 -0.95 0.00 0.00 178.83 178.89 1bl3 h MET 178 N 0.05 0.49 -0.40 1.46 2.86 -0.64 -1.59 114.93 117.16 1bl3 h MET 178 Ca -0.00 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.37 1bl3 h MET 178 Cb 1.00 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1bl3 h MET 178 CO 0.08 0.76 0.06 0.00 1.06 0.00 0.00 176.91 178.87 1bl3 h ALA 179 N 0.71 1.36 -0.10 6.32 0.00 -0.82 -0.04 119.26 126.69 1bl3 h ALA 179 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1bl3 h ALA 179 Cb 0.62 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1bl3 h ALA 179 CO 0.04 0.45 -0.02 0.28 0.00 0.00 0.00 179.25 180.00 1bl3 h VAL 180 N 0.59 1.28 -0.53 0.00 2.07 -0.94 -0.16 116.25 118.56 1bl3 h VAL 180 Ca 0.13 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.79 1bl3 h VAL 180 Cb 0.28 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1bl3 h VAL 180 CO 0.00 0.26 0.23 0.15 0.02 0.00 0.00 177.57 178.23 1bl3 h PHE 181 N -0.12 0.41 -0.07 1.57 3.04 -0.95 -0.23 116.94 120.59 1bl3 h PHE 181 Ca 0.03 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.00 1bl3 h PHE 181 Cb 0.42 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1bl3 h PHE 181 CO 0.05 0.17 0.03 0.82 -2.02 0.00 0.00 178.31 177.35 1bl3 h ILE 182 N 0.44 1.15 -0.59 1.41 2.04 -0.88 -1.97 117.51 119.10 1bl3 h ILE 182 Ca 0.25 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1bl3 h ILE 182 Cb 0.22 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1bl3 h ILE 182 CO -0.21 0.12 0.28 -0.74 0.00 0.00 0.00 178.15 177.60 1bl3 h HIS 183 N -0.04 0.85 0.00 1.37 2.76 -0.61 -2.00 115.15 117.48 1bl3 h HIS 183 Ca 0.02 -0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 58.02 1bl3 h HIS 183 Cb 0.17 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.85 1bl3 h HIS 183 CO -0.02 0.65 -0.64 -0.91 -1.30 0.00 0.00 177.93 175.72 1bl3 h ASN 184 N 0.80 0.00 -0.25 3.26 2.35 -1.03 -3.24 115.58 117.46 1bl3 h ASN 184 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1bl3 h ASN 184 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1bl3 h ASN 184 CO -0.03 0.64 0.00 1.41 -1.65 0.00 0.00 177.43 177.80 1bl3 n HIS 185 N -3.75 0.31 -3.12 1.19 8.25 -0.75 -0.91 115.22 116.44 1bl3 n HIS 185 Ca -0.01 -0.16 -0.41 0.00 -0.26 0.00 0.00 57.72 56.88 1bl3 n HIS 185 Cb 0.64 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.68 1bl3 n HIS 185 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1bl3 s LYS 186 N -1.69 3.91 -0.14 -0.41 2.20 -0.76 -4.87 119.74 117.98 1bl3 s LYS 186 Ca 0.35 0.30 -0.26 0.00 -0.36 0.00 0.00 55.97 56.00 1bl3 s LYS 186 Cb 0.22 -3.72 -0.02 0.00 -1.51 0.00 0.00 37.83 32.80 1bl3 s LYS 186 CO 0.31 -0.56 0.86 1.03 -0.36 0.00 0.00 175.35 176.63 1bl3 s ARG 187 N 2.59 4.34 0.00 4.03 0.52 -1.26 -4.42 118.95 124.75 1bl3 s ARG 187 Ca 0.25 1.09 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1bl3 s ARG 187 Cb -0.15 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 31.77 1bl3 s ARG 187 CO 0.12 -0.28 0.00 1.17 0.02 0.00 0.00 175.30 176.32 1bl3 n LYS 188 N 5.03 0.00 -0.36 3.54 4.81 -1.16 -4.74 118.16 125.29 1bl3 n LYS 188 Ca 0.05 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.53 1bl3 n LYS 188 Cb 0.49 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.53 1bl3 n LYS 188 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bl3 n GLY 189 N 0.00 -0.42 3.43 3.14 0.00 -1.26 -3.58 105.19 106.50 1bl3 n GLY 189 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 1bl3 n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bl3 n GLY 190 N -1.44 -0.89 2.53 -0.02 0.00 -1.26 0.24 105.19 104.35 1bl3 n GLY 190 Ca 0.00 0.41 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 1bl3 n GLY 190 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1bl3 n ILE 191 N -2.07 0.00 -2.66 -0.61 5.41 -1.26 -4.11 119.36 114.06 1bl3 n ILE 191 Ca -0.22 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.50 1bl3 n ILE 191 Cb 0.48 -1.59 -0.03 0.00 -0.71 0.00 0.00 39.64 37.79 1bl3 n ILE 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bl3 n GLY 192 N -0.08 -3.80 1.91 7.39 0.00 0.66 -5.02 105.19 106.25 1bl3 n GLY 192 Ca -0.15 1.10 0.00 0.00 0.00 0.00 0.00 46.02 46.97 1bl3 n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bl3 n GLY 193 N 1.96 -0.81 3.64 -0.02 0.00 -1.23 -4.91 105.19 103.81 1bl3 n GLY 193 Ca -0.25 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1bl3 n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bl3 s TYR 194 N -2.00 2.69 0.20 1.61 2.02 -1.26 -4.81 117.35 115.80 1bl3 s TYR 194 Ca 0.00 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1bl3 s TYR 194 Cb 0.00 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 1bl3 s TYR 194 CO 0.00 0.61 0.28 -1.54 -1.57 0.00 0.00 175.55 173.33 1bl3 s SER 195 N -3.61 6.09 0.56 2.29 1.04 -1.26 -2.97 113.70 115.84 1bl3 s SER 195 Ca 0.31 0.03 0.24 0.00 0.48 0.00 0.00 55.95 57.00 1bl3 s SER 195 Cb -0.07 -1.75 1.56 0.00 0.10 0.00 0.00 66.02 65.87 1bl3 s SER 195 CO 0.20 -0.00 2.18 0.00 0.98 0.00 0.00 173.24 176.60 1bl3 h ALA 196 N 1.73 1.80 0.00 5.32 0.00 -1.74 0.30 119.26 126.67 1bl3 h ALA 196 Ca -0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bl3 h ALA 196 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1bl3 h ALA 196 CO 0.64 -0.06 -0.01 0.78 0.00 0.00 0.00 179.25 180.60 1bl3 h GLY 197 N 0.00 0.00 0.77 0.00 0.00 -1.34 -2.56 103.07 99.94 1bl3 h GLY 197 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.01 1bl3 h GLY 197 CO -0.00 0.00 -1.88 0.83 0.00 0.00 0.00 176.54 175.49 1bl3 h GLU 198 N 0.00 0.20 -0.43 4.80 5.08 -1.21 -3.34 114.58 119.68 1bl3 h GLU 198 Ca -0.00 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1bl3 h GLU 198 Cb 0.71 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1bl3 h GLU 198 CO 0.00 1.02 0.06 0.00 -1.00 0.00 0.00 179.01 179.09 1bl3 h ARG 199 N 0.05 0.72 -0.76 2.33 3.08 -1.29 -1.62 114.38 116.90 1bl3 h ARG 199 Ca -0.37 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.47 1bl3 h ARG 199 Cb 2.03 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.96 1bl3 h ARG 199 CO 0.10 0.76 0.42 0.97 -1.07 0.00 0.00 179.97 181.14 1bl3 h ILE 200 N 0.58 1.23 -0.27 2.04 2.10 -1.64 0.39 117.51 121.94 1bl3 h ILE 200 Ca 0.13 -0.58 -0.16 0.00 1.08 0.00 0.00 64.86 65.34 1bl3 h ILE 200 Cb 0.39 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 36.34 1bl3 h ILE 200 CO 0.01 0.26 -0.47 0.58 -1.08 0.00 0.00 178.15 177.45 1bl3 h VAL 201 N 1.05 1.30 -0.01 2.19 2.07 -1.66 -1.78 116.25 119.42 1bl3 h VAL 201 Ca 0.27 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 1bl3 h VAL 201 Cb 0.04 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1bl3 h VAL 201 CO -0.04 0.53 -0.01 -0.78 0.02 0.00 0.00 177.57 177.29 1bl3 h ASP 202 N 0.56 0.02 0.13 0.57 3.58 -0.99 -0.94 116.42 119.35 1bl3 h ASP 202 Ca 0.03 -0.52 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1bl3 h ASP 202 Cb 1.02 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1bl3 h ASP 202 CO 0.10 0.54 -0.32 0.40 -2.88 0.00 0.00 179.24 177.07 1bl3 h ILE 203 N -0.49 0.00 -0.45 2.25 2.04 -0.24 0.38 117.51 121.00 1bl3 h ILE 203 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1bl3 h ILE 203 Cb 0.53 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1bl3 h ILE 203 CO 0.00 0.00 0.19 0.40 0.00 0.00 0.00 178.15 178.74 1bl3 h ILE 204 N -0.50 0.91 -0.77 -0.67 2.04 -1.41 -0.47 117.51 116.63 1bl3 h ILE 204 Ca -0.01 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1bl3 h ILE 204 Cb 0.49 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1bl3 h ILE 204 CO -0.14 0.07 0.40 0.00 0.00 0.00 0.00 178.15 178.47 1bl3 h ALA 205 N 1.27 1.25 0.03 1.87 0.00 -1.05 0.07 119.26 122.71 1bl3 h ALA 205 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1bl3 h ALA 205 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1bl3 h ALA 205 CO -0.18 0.59 -0.02 1.15 0.00 0.00 0.00 179.25 180.80 1bl3 h THR 206 N 1.08 1.04 -0.88 0.00 2.02 -0.41 0.40 112.91 116.17 1bl3 h THR 206 Ca 0.27 -0.22 0.19 0.00 0.77 0.00 0.00 66.41 67.42 1bl3 h THR 206 Cb 0.07 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.60 1bl3 h THR 206 CO -0.04 0.06 0.58 -0.78 0.37 0.00 0.00 175.52 175.71 1bl3 h ASP 207 N -0.14 0.42 0.12 4.18 3.58 -0.37 0.15 116.42 124.36 1bl3 h ASP 207 Ca -0.00 0.04 -0.25 0.00 0.42 0.00 0.00 57.03 57.23 1bl3 h ASP 207 Cb 0.13 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1bl3 h ASP 207 CO 0.01 0.18 -1.00 0.40 -2.88 0.00 0.00 179.24 175.95 1bl3 h ILE 208 N 0.43 1.32 0.00 2.25 2.04 0.06 -3.51 117.51 120.10 1bl3 h ILE 208 Ca 0.45 -2.31 0.00 0.00 1.00 0.00 0.00 64.86 64.00 1bl3 h ILE 208 Cb 1.09 2.38 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 1bl3 h ILE 208 CO -0.17 0.71 0.00 1.67 0.00 0.00 0.00 178.15 180.36