#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q8c s THR 13 N 0.00 4.93 0.40 -5.08 -4.23 -1.26 -4.95 115.64 105.45 1q8c s THR 13 Ca 0.00 0.13 0.10 0.00 -1.18 0.00 0.00 61.69 60.74 1q8c s THR 13 Cb 0.00 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.30 1q8c s THR 13 CO 0.00 -0.77 1.96 0.03 -0.54 0.00 0.00 174.62 175.30 1q8c h ARG 14 N 0.43 0.55 -0.05 3.99 2.47 -2.05 -2.17 114.38 117.54 1q8c h ARG 14 Ca -0.47 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 1q8c h ARG 14 Cb 1.20 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1q8c h ARG 14 CO 0.62 0.36 0.03 1.15 0.56 0.00 0.00 179.97 182.69 1q8c h THR 15 N 0.56 1.07 -0.92 2.04 2.02 -1.99 -0.84 112.91 114.86 1q8c h THR 15 Ca 0.31 -0.21 0.07 0.00 0.77 0.00 0.00 66.41 67.36 1q8c h THR 15 Cb 0.47 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 1q8c h THR 15 CO -0.10 0.06 0.59 1.56 0.37 0.00 0.00 175.52 178.00 1q8c h GLN 16 N -0.00 0.99 -0.52 6.66 4.20 -1.79 -0.65 115.11 124.00 1q8c h GLN 16 Ca 0.02 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 1q8c h GLN 16 Cb 0.07 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1q8c h GLN 16 CO -0.00 0.66 -0.14 0.00 -0.67 0.00 0.00 178.83 178.67 1q8c h ARG 17 N 1.02 0.99 -0.49 1.46 3.08 -1.12 -1.90 114.38 117.43 1q8c h ARG 17 Ca 0.40 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1q8c h ARG 17 Cb 0.23 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1q8c h ARG 17 CO -0.16 1.06 0.30 0.00 -1.07 0.00 0.00 179.97 180.10 1q8c h ARG 18 N 0.88 0.66 -0.89 0.04 3.08 -0.69 -2.87 114.38 114.59 1q8c h ARG 18 Ca 0.13 -0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.18 1q8c h ARG 18 Cb 0.71 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 1q8c h ARG 18 CO 0.05 0.48 0.56 0.82 -1.07 0.00 0.00 179.97 180.81 1q8c h ILE 19 N 0.65 1.05 -0.73 2.04 2.04 -0.76 -1.28 117.51 120.53 1q8c h ILE 19 Ca 0.18 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1q8c h ILE 19 Cb -0.02 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 35.98 1q8c h ILE 19 CO -0.03 0.19 0.48 0.00 0.00 0.00 0.00 178.15 178.78 1q8c h ALA 20 N 1.41 1.51 -0.12 1.87 0.00 -1.20 -0.69 119.26 122.04 1q8c h ALA 20 Ca 0.39 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1q8c h ALA 20 Cb 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1q8c h ALA 20 CO -0.17 0.44 -0.27 0.28 0.00 0.00 0.00 179.25 179.53 1q8c h VAL 21 N 0.96 1.38 -0.38 0.00 2.07 -1.13 -2.65 116.25 116.49 1q8c h VAL 21 Ca 0.27 -1.57 0.06 0.00 0.82 0.00 0.00 66.70 66.29 1q8c h VAL 21 Cb -0.07 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1q8c h VAL 21 CO -0.07 0.46 0.06 0.58 0.02 0.00 0.00 177.57 178.63 1q8c h VAL 22 N -0.03 0.78 -0.74 2.57 2.07 -0.88 0.55 116.25 120.57 1q8c h VAL 22 Ca -0.00 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1q8c h VAL 22 Cb 0.88 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1q8c h VAL 22 CO 0.06 0.03 0.29 -0.08 0.02 0.00 0.00 177.57 177.90 1q8c h GLU 23 N 0.18 1.10 0.39 1.57 4.22 -1.18 0.18 114.58 121.04 1q8c h GLU 23 Ca 0.18 -0.19 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 1q8c h GLU 23 Cb 0.23 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1q8c h GLU 23 CO -0.26 0.90 -0.19 0.35 -2.18 0.00 0.00 179.01 177.63 1q8c h PHE 24 N 1.08 -0.48 -0.26 0.92 3.57 -0.97 -2.07 116.94 118.73 1q8c h PHE 24 Ca 0.25 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.78 1q8c h PHE 24 Cb 0.21 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1q8c h PHE 24 CO 0.02 -0.27 0.00 0.82 -2.23 0.00 0.00 178.31 176.65 1q8c h ILE 25 N -0.57 0.82 -0.77 1.41 2.04 -0.73 -1.95 117.51 117.76 1q8c h ILE 25 Ca -0.05 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 65.95 1q8c h ILE 25 Cb 0.43 0.73 -0.11 0.00 -0.74 0.00 0.00 36.82 37.12 1q8c h ILE 25 CO 0.09 0.01 0.20 0.15 0.00 0.00 0.00 178.15 178.60 1q8c h PHE 26 N 0.08 0.31 0.00 1.37 3.57 -0.83 0.11 116.94 121.55 1q8c h PHE 26 Ca 0.12 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1q8c h PHE 26 Cb 0.16 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1q8c h PHE 26 CO -0.20 -0.09 -0.18 0.66 -2.23 0.00 0.00 178.31 176.27 1q8c h SER 27 N 0.28 0.00 0.89 0.41 4.64 -0.63 -2.88 113.55 116.26 1q8c h SER 27 Ca 0.44 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.56 1q8c h SER 27 Cb 0.77 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 1q8c h SER 27 CO -0.53 0.18 -1.19 -0.07 -0.87 0.00 0.00 176.83 174.35 1q8c h LEU 28 N 0.00 0.00 -0.99 5.97 3.38 -0.69 -3.37 115.31 119.61 1q8c h LEU 28 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1q8c h LEU 28 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1q8c h LEU 28 CO 0.02 0.80 0.00 0.18 0.09 0.00 0.00 178.44 179.53 1q8c n LEU 29 N -3.13 0.64 0.18 1.67 4.77 -0.77 -1.64 117.00 118.73 1q8c n LEU 29 Ca -0.06 0.71 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 1q8c n LEU 29 Cb 0.90 -0.68 0.37 0.00 -2.33 0.00 0.00 43.42 41.69 1q8c n LEU 29 CO 0.44 -0.72 0.87 -0.26 -1.33 0.00 0.00 177.39 176.40 1q8c h PHE 30 N 0.00 0.00 -0.27 -1.77 0.04 -1.73 -3.36 116.94 109.85 1q8c h PHE 30 Ca 0.00 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 1q8c h PHE 30 Cb 0.23 0.00 -0.36 0.00 2.20 0.00 0.00 35.95 38.01 1q8c h PHE 30 CO 0.00 0.00 -1.00 1.19 -0.60 0.00 0.00 178.31 177.90 1q8c n PHE 31 N -2.74 0.84 -2.23 -0.55 3.72 -0.65 -5.11 117.46 110.74 1q8c n PHE 31 Ca 0.04 -1.49 -0.29 0.00 -0.05 0.00 0.00 57.45 55.66 1q8c n PHE 31 Cb 0.43 -0.21 0.02 0.00 -0.94 0.00 0.00 39.48 38.77 1q8c n PHE 31 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1q8c s LEU 32 N -2.33 3.29 0.26 4.37 1.43 -1.20 -4.63 118.68 119.87 1q8c s LEU 32 Ca 0.33 1.05 0.03 0.00 -1.03 0.00 0.00 54.13 54.51 1q8c s LEU 32 Cb 0.36 -3.97 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1q8c s LEU 32 CO -0.08 -0.91 0.41 -2.16 0.23 0.00 0.00 176.35 173.84 1q8c s PRO 33 N -5.03 3.46 0.12 1.29 0.04 -1.26 -5.14 135.00 128.49 1q8c s PRO 33 Ca 0.53 -0.57 0.07 0.00 0.04 0.00 0.00 61.00 61.08 1q8c s PRO 33 Cb -0.11 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1q8c s PRO 33 CO 0.49 0.36 -0.18 0.15 0.04 0.00 0.00 177.00 177.86 1q8c s LYS 34 N -3.91 1.10 0.53 4.56 1.02 -1.26 -5.13 119.74 116.65 1q8c s LYS 34 Ca 0.36 -1.23 -0.21 0.00 0.02 0.00 0.00 55.97 54.92 1q8c s LYS 34 Cb -0.10 -1.18 -0.06 0.00 -0.52 0.00 0.00 37.83 35.98 1q8c s LYS 34 CO 0.31 0.25 1.21 -1.21 -0.92 0.00 0.00 175.35 174.99 1q8c s GLU 35 N -2.34 3.34 0.20 1.68 0.41 -1.26 -4.84 118.70 115.89 1q8c s GLU 35 Ca 0.09 1.84 -0.13 0.00 -0.41 0.00 0.00 54.97 56.36 1q8c s GLU 35 Cb -0.07 -2.16 0.23 0.00 -1.78 0.00 0.00 34.13 30.34 1q8c s GLU 35 CO 0.04 -0.91 1.67 0.00 -0.49 0.00 0.00 175.26 175.57 1q8c h ALA 36 N 1.44 0.52 0.00 5.21 0.00 -2.01 -1.53 119.26 122.89 1q8c h ALA 36 Ca -0.50 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1q8c h ALA 36 Cb 1.27 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1q8c h ALA 36 CO 0.58 -0.39 -0.51 0.93 0.00 0.00 0.00 179.25 179.85 1q8c h GLU 37 N 0.11 0.00 -0.49 0.00 5.08 -1.92 -2.27 114.58 115.09 1q8c h GLU 37 Ca 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1q8c h GLU 37 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1q8c h GLU 37 CO -0.46 0.51 0.27 0.28 -1.00 0.00 0.00 179.01 178.62 1q8c h VAL 38 N 0.00 1.17 -0.31 3.13 2.07 -1.67 0.37 116.25 121.01 1q8c h VAL 38 Ca -0.01 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1q8c h VAL 38 Cb 0.92 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1q8c h VAL 38 CO 0.07 0.18 0.08 0.40 0.02 0.00 0.00 177.57 178.32 1q8c h ILE 39 N 0.66 1.21 -0.57 4.57 2.04 -1.12 0.17 117.51 124.47 1q8c h ILE 39 Ca 0.17 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.39 1q8c h ILE 39 Cb 0.04 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1q8c h ILE 39 CO -0.03 0.24 0.24 1.56 0.00 0.00 0.00 178.15 180.16 1q8c h GLN 40 N 0.34 0.44 -0.11 2.37 4.20 -1.29 0.01 115.11 121.07 1q8c h GLN 40 Ca 0.10 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 1q8c h GLN 40 Cb 0.28 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1q8c h GLN 40 CO 0.00 0.29 -0.47 0.00 -0.67 0.00 0.00 178.83 177.98 1q8c h ALA 41 N 1.36 0.99 -0.76 3.87 0.00 -0.58 -3.01 119.26 121.13 1q8c h ALA 41 Ca 0.27 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1q8c h ALA 41 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1q8c h ALA 41 CO -0.24 0.64 0.35 -0.44 0.00 0.00 0.00 179.25 179.56 1q8c h ASP 42 N 0.23 0.99 -0.99 0.00 5.19 -0.20 -2.59 116.42 119.05 1q8c h ASP 42 Ca 0.01 -0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.32 1q8c h ASP 42 Cb 0.92 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 1q8c h ASP 42 CO 0.07 0.85 0.65 0.15 -3.12 0.00 0.00 179.24 177.85 1q8c h PHE 43 N 1.08 1.23 -0.74 4.55 3.57 -0.88 -1.82 116.94 123.94 1q8c h PHE 43 Ca 0.26 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.78 1q8c h PHE 43 Cb 0.13 -0.41 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 1q8c h PHE 43 CO 0.01 0.75 0.44 -0.07 -2.23 0.00 0.00 178.31 177.21 1q8c h LEU 44 N 1.30 0.90 -0.79 0.59 3.38 -1.36 -2.65 115.31 116.68 1q8c h LEU 44 Ca 0.38 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1q8c h LEU 44 Cb -0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.43 1q8c h LEU 44 CO -0.10 0.71 0.00 -0.33 0.09 0.00 0.00 178.44 178.81 1q8c h GLU 45 N 1.01 0.00 0.00 1.13 5.08 -1.22 -2.75 114.58 117.83 1q8c h GLU 45 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1q8c h GLU 45 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1q8c h GLU 45 CO -0.05 0.00 0.00 0.98 -1.00 0.00 0.00 179.01 178.94 1q8c n TYR 46 N -2.44 0.93 -2.25 4.33 9.36 -0.73 -4.90 117.16 121.45 1q8c n TYR 46 Ca 0.02 0.29 -0.37 0.00 3.32 0.00 0.00 57.90 61.16 1q8c n TYR 46 Cb 0.27 -0.97 -0.01 0.00 -0.63 0.00 0.00 39.34 38.00 1q8c n TYR 46 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1q8c s ASP 47 N -4.50 6.13 0.22 2.98 2.15 -1.04 -5.00 116.67 117.60 1q8c s ASP 47 Ca 0.09 2.31 -0.11 0.00 0.43 0.00 0.00 52.55 55.27 1q8c s ASP 47 Cb 0.12 -2.60 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 1q8c s ASP 47 CO 0.56 -0.95 0.38 0.42 -0.17 0.00 0.00 175.17 175.41 1q8c s THR 48 N -1.55 0.02 0.27 1.71 -4.23 -1.26 -5.02 115.64 105.57 1q8c s THR 48 Ca 0.64 -1.44 -0.10 0.00 -1.18 0.00 0.00 61.69 59.61 1q8c s THR 48 Cb -0.28 -2.10 0.40 0.00 1.34 0.00 0.00 72.50 71.85 1q8c s THR 48 CO 0.34 -0.09 1.56 0.11 -0.54 0.00 0.00 174.62 176.01 1q8c h LYS 49 N 2.37 -0.00 -0.00 3.99 6.56 -2.02 -0.99 116.57 126.49 1q8c h LYS 49 Ca -0.29 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.14 1q8c h LYS 49 Cb 1.25 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.88 1q8c h LYS 49 CO 0.41 -0.00 -0.74 0.93 -2.06 0.00 0.00 179.45 177.99 1q8c h GLU 50 N -0.00 0.00 0.11 3.15 5.08 -2.01 -3.33 114.58 117.59 1q8c h GLU 50 Ca 0.44 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.51 1q8c h GLU 50 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1q8c h GLU 50 CO -0.99 0.74 -1.40 0.00 -1.00 0.00 0.00 179.01 176.36 1q8c h ARG 51 N 0.00 0.23 -6.70 2.33 3.08 -1.61 -3.48 114.38 108.24 1q8c h ARG 51 Ca -0.01 -0.40 -0.54 0.00 0.07 0.00 0.00 59.98 59.10 1q8c h ARG 51 Cb 1.31 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 31.42 1q8c h ARG 51 CO 0.10 1.12 -0.93 1.04 -1.07 0.00 0.00 179.97 180.23 1q8c n GLN 52 N -3.46 -1.99 -1.70 0.04 6.02 -0.69 -4.71 117.38 110.89 1q8c n GLN 52 Ca -0.12 0.27 -0.44 0.00 -0.01 0.00 0.00 57.00 56.70 1q8c n GLN 52 Cb 1.03 -3.96 -0.03 0.00 1.02 0.00 0.00 30.24 28.30 1q8c n GLN 52 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1q8c n LEU 53 N -4.51 3.67 -4.85 1.08 4.32 -1.26 -4.98 117.00 110.47 1q8c n LEU 53 Ca -0.27 1.06 -0.26 0.00 -0.02 0.00 0.00 56.01 56.52 1q8c n LEU 53 Cb 0.67 -1.51 -0.03 0.00 -1.62 0.00 0.00 43.42 40.92 1q8c n LEU 53 CO 0.77 0.01 -0.03 0.54 -1.22 0.00 0.00 177.39 177.47 1q8c s ASN 54 N 1.32 4.59 0.40 -1.43 2.20 -1.26 -5.01 114.94 115.74 1q8c s ASN 54 Ca 0.78 -1.20 0.10 0.00 -0.94 0.00 0.00 52.86 51.60 1q8c s ASN 54 Cb -0.57 0.15 0.81 0.00 -2.00 0.00 0.00 41.25 39.64 1q8c s ASN 54 CO 0.35 -0.92 1.93 -0.33 -2.94 0.00 0.00 177.10 175.19 1q8c h GLU 55 N 0.97 0.22 -0.33 3.55 4.39 -1.98 -2.34 114.58 119.05 1q8c h GLU 55 Ca -0.39 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.30 1q8c h GLU 55 Cb 1.29 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.87 1q8c h GLU 55 CO 0.61 0.35 0.10 2.35 -1.16 0.00 0.00 179.01 181.26 1q8c h TRP 56 N 0.21 0.17 -0.49 4.33 7.01 -2.00 -1.30 115.95 123.88 1q8c h TRP 56 Ca 0.04 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.93 1q8c h TRP 56 Cb 0.35 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1q8c h TRP 56 CO 0.00 0.07 -0.20 1.96 -2.79 0.00 0.00 178.44 177.48 1q8c h GLN 57 N 0.23 1.00 0.00 2.65 4.20 -1.89 -2.95 115.11 118.35 1q8c h GLN 57 Ca 0.15 -0.42 -0.04 0.00 0.06 0.00 0.00 58.65 58.41 1q8c h GLN 57 Cb 0.14 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1q8c h GLN 57 CO -0.17 1.09 -0.17 0.87 -0.67 0.00 0.00 178.83 179.79 1q8c h LYS 58 N 0.86 0.00 0.01 1.46 1.57 -1.14 -2.00 116.57 117.34 1q8c h LYS 58 Ca 0.12 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.68 1q8c h LYS 58 Cb 0.78 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1q8c h LYS 58 CO 0.06 0.17 -0.93 1.25 -0.57 0.00 0.00 179.45 179.43 1q8c h LEU 59 N 0.00 0.35 -0.29 2.94 6.46 -1.08 -2.02 115.31 121.68 1q8c h LEU 59 Ca -0.00 -0.29 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 1q8c h LEU 59 Cb 0.35 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1q8c h LEU 59 CO 0.02 1.11 0.09 0.40 -0.62 0.00 0.00 178.44 179.43 1q8c h ILE 60 N 0.14 1.20 0.00 4.05 2.04 -1.35 -2.18 117.51 121.41 1q8c h ILE 60 Ca -0.06 -0.66 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 1q8c h ILE 60 Cb 1.57 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 1q8c h ILE 60 CO 0.15 0.22 -0.34 0.58 0.00 0.00 0.00 178.15 178.76 1q8c h VAL 61 N 0.30 1.17 -0.17 1.67 2.07 -1.38 -0.74 116.25 119.18 1q8c h VAL 61 Ca 0.09 -1.18 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 1q8c h VAL 61 Cb 0.25 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1q8c h VAL 61 CO -0.00 0.33 -0.16 0.50 0.02 0.00 0.00 177.57 178.26 1q8c h LYS 62 N 0.00 0.40 -0.63 1.57 3.64 -1.24 -0.38 116.57 119.93 1q8c h LYS 62 Ca -0.00 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.15 1q8c h LYS 62 Cb 0.62 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1q8c h LYS 62 CO 0.04 0.77 0.31 0.00 -2.27 0.00 0.00 179.45 178.30 1q8c h ALA 63 N 0.63 0.81 -0.30 5.00 0.00 -1.04 -2.55 119.26 121.81 1q8c h ALA 63 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1q8c h ALA 63 Cb 0.69 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1q8c h ALA 63 CO 0.04 0.36 0.11 0.35 0.00 0.00 0.00 179.25 180.12 1q8c h PHE 64 N 0.86 0.20 -0.09 0.00 3.57 -1.10 -2.28 116.94 118.10 1q8c h PHE 64 Ca 0.22 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1q8c h PHE 64 Cb 0.10 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1q8c h PHE 64 CO -0.00 0.10 -0.09 0.66 -2.23 0.00 0.00 178.31 176.74 1q8c h SER 65 N 0.25 0.12 0.30 0.41 4.64 -0.83 -2.14 113.55 116.30 1q8c h SER 65 Ca 0.13 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1q8c h SER 65 Cb 0.09 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1q8c h SER 65 CO -0.12 0.24 -0.86 -0.62 -0.87 0.00 0.00 176.83 174.60 1q8c n GLU 66 N -4.35 0.10 -0.08 4.77 1.02 -0.98 -4.35 120.64 116.76 1q8c n GLU 66 Ca -0.01 -0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.14 1q8c n GLU 66 Cb 0.21 -1.53 0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1q8c n GLU 66 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1q8c n ASN 67 N -1.65 1.33 -0.33 1.62 3.02 -0.87 -4.86 115.26 113.51 1q8c n ASN 67 Ca 0.04 -1.98 -0.04 0.00 -0.03 0.00 0.00 54.58 52.56 1q8c n ASN 67 Cb 0.37 -0.12 0.09 0.00 -0.61 0.00 0.00 39.78 39.51 1q8c n ASN 67 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1q8c h ILE 68 N 1.61 1.26 -0.65 2.41 2.10 -1.59 -1.02 117.51 121.63 1q8c h ILE 68 Ca 0.00 -0.66 0.04 0.00 1.08 0.00 0.00 64.86 65.32 1q8c h ILE 68 Cb 0.84 0.06 -0.04 0.00 -1.09 0.00 0.00 36.82 36.59 1q8c h ILE 68 CO 0.00 0.30 0.39 0.15 -1.08 0.00 0.00 178.15 177.90 1q8c h PHE 69 N 1.25 0.72 -0.10 2.19 3.57 -1.89 -0.11 116.94 122.57 1q8c h PHE 69 Ca 0.31 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 1q8c h PHE 69 Cb 0.04 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1q8c h PHE 69 CO 0.01 0.40 -0.29 0.77 -2.23 0.00 0.00 178.31 176.97 1q8c h SER 70 N 0.75 0.43 -0.32 0.41 0.02 -1.77 -2.33 113.55 110.74 1q8c h SER 70 Ca 0.27 -0.59 0.04 0.00 -0.84 0.00 0.00 61.79 60.67 1q8c h SER 70 Cb 0.07 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1q8c h SER 70 CO -0.13 0.95 0.08 -0.26 -1.14 0.00 0.00 176.83 176.33 1q8c h PHE 71 N -0.06 0.13 -0.91 3.45 0.05 -1.10 0.71 116.94 119.21 1q8c h PHE 71 Ca -0.01 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.81 1q8c h PHE 71 Cb 0.90 -0.01 -0.04 0.00 2.00 0.00 0.00 35.95 38.80 1q8c h PHE 71 CO 0.11 0.04 0.58 1.96 -0.18 0.00 0.00 178.31 180.82 1q8c h GLN 72 N 0.20 1.21 0.38 1.51 1.08 -1.03 -0.96 115.11 117.49 1q8c h GLN 72 Ca 0.15 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 1q8c h GLN 72 Cb 0.15 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.32 1q8c h GLN 72 CO -0.18 0.82 -0.18 -0.22 -0.95 0.00 0.00 178.83 178.11 1q8c h LYS 73 N 1.24 -0.49 -0.85 1.46 1.63 -0.94 -1.24 116.57 117.37 1q8c h LYS 73 Ca 0.33 0.03 0.16 0.00 -0.85 0.00 0.00 60.65 60.33 1q8c h LYS 73 Cb -0.11 0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 31.53 1q8c h LYS 73 CO -0.07 -0.22 0.42 0.87 -3.45 0.00 0.00 179.45 177.00 1q8c h LYS 74 N -0.70 0.55 0.55 1.90 1.57 -0.51 -1.33 116.57 118.60 1q8c h LYS 74 Ca -0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1q8c h LYS 74 Cb 0.49 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 32.69 1q8c h LYS 74 CO 0.09 0.36 -0.27 0.82 -0.57 0.00 0.00 179.45 179.88 1q8c h ILE 75 N 0.56 0.00 -0.52 1.86 2.04 -1.17 -2.03 117.51 118.26 1q8c h ILE 75 Ca 0.48 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.42 1q8c h ILE 75 Cb 0.75 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.73 1q8c h ILE 75 CO -0.40 0.00 -0.16 1.21 0.00 0.00 0.00 178.15 178.80 1q8c n GLU 76 N -4.04 -0.07 0.12 2.37 2.13 -0.47 -0.87 120.64 119.80 1q8c n GLU 76 Ca -0.09 0.80 0.12 0.00 0.66 0.00 0.00 57.16 58.65 1q8c n GLU 76 Cb 0.29 -1.20 0.10 0.00 0.27 0.00 0.00 31.44 30.91 1q8c n GLU 76 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1q8c h GLU 77 N 0.00 0.00 0.02 5.31 5.08 -1.23 -3.21 114.58 120.55 1q8c h GLU 77 Ca 0.22 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1q8c h GLU 77 Cb 0.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 1q8c h GLU 77 CO -0.53 0.00 -0.43 0.37 -1.00 0.00 0.00 179.01 177.43 1q8c h GLN 78 N 0.00 0.26 -0.28 2.33 5.75 -0.24 -1.70 115.11 121.23 1q8c h GLN 78 Ca 0.00 -0.30 0.06 0.00 -0.15 0.00 0.00 58.65 58.26 1q8c h GLN 78 Cb 0.93 0.09 -0.08 0.00 1.07 0.00 0.00 27.48 29.49 1q8c h GLN 78 CO 0.00 1.03 -0.38 1.96 -2.65 0.00 0.00 178.83 178.79 1q8c h GLN 79 N -0.39 -0.36 -0.44 1.69 4.20 -1.60 -0.54 115.11 117.69 1q8c h GLN 79 Ca -0.06 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.74 1q8c h GLN 79 Cb 1.20 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 29.00 1q8c h GLN 79 CO 0.08 -0.24 0.13 1.37 -0.67 0.00 0.00 178.83 179.51 1q8c h LEU 80 N -0.37 0.10 -1.60 1.46 8.10 -1.61 -0.86 115.31 120.53 1q8c h LEU 80 Ca 0.12 0.06 0.00 0.00 0.11 0.00 0.00 57.88 58.17 1q8c h LEU 80 Cb 0.58 0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1q8c h LEU 80 CO -0.48 0.09 0.00 0.50 -4.11 0.00 0.00 178.44 174.45 1q8c h LYS 81 N 0.28 0.00 -6.00 0.17 3.64 -0.56 -3.28 116.57 110.83 1q8c h LYS 81 Ca 0.21 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.96 1q8c h LYS 81 Cb 0.23 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 1q8c h LYS 81 CO -0.24 0.00 1.76 -0.80 -2.27 0.00 0.00 179.45 177.91 1q8c s ASN 82 N -4.37 6.63 -0.33 4.20 0.01 -0.28 -4.70 114.94 116.10 1q8c s ASN 82 Ca -0.02 -1.84 0.17 0.00 -0.71 0.00 0.00 52.86 50.46 1q8c s ASN 82 Cb 0.08 -2.57 0.44 0.00 0.41 0.00 0.00 41.25 39.61 1q8c s ASN 82 CO 0.29 -1.37 0.96 0.00 -1.51 0.00 0.00 177.10 175.47 1q8c n GLN 83 N 8.67 1.13 -1.83 -0.60 6.02 -1.24 -4.99 117.38 124.54 1q8c n GLN 83 Ca 0.39 -3.14 -0.29 0.00 -0.01 0.00 0.00 57.00 53.95 1q8c n GLN 83 Cb 0.49 -1.19 0.08 0.00 1.02 0.00 0.00 30.24 30.64 1q8c n GLN 83 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1q8c s LEU 84 N -3.05 2.62 -0.03 1.08 1.43 -1.26 -5.05 118.68 114.42 1q8c s LEU 84 Ca 0.28 0.98 -0.06 0.00 -1.03 0.00 0.00 54.13 54.31 1q8c s LEU 84 Cb 0.44 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 43.04 1q8c s LEU 84 CO 0.02 -1.75 -0.12 -0.62 0.23 0.00 0.00 176.35 174.11 1q8c n GLU 85 N -3.25 0.18 -1.41 1.70 4.71 -1.26 -5.11 120.64 116.21 1q8c n GLU 85 Ca 0.07 0.08 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1q8c n GLU 85 Cb 0.59 -0.82 0.00 0.00 -1.01 0.00 0.00 31.44 30.20 1q8c n GLU 85 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1q8c n ILE 86 N -3.67 0.00 -2.77 -3.67 -0.00 -1.26 -5.13 119.36 102.86 1q8c n ILE 86 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.56 1q8c n ILE 86 Cb 0.35 0.00 0.08 0.00 -0.00 0.00 0.00 39.64 40.07 1q8c n ILE 86 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1q8c n GLN 87 N 0.00 1.08 -0.51 0.38 0.00 -1.26 -5.19 117.38 111.88 1q8c n GLN 87 Ca 0.00 -2.17 0.08 0.00 -0.00 0.00 0.00 57.00 54.91 1q8c n GLN 87 Cb 0.00 -0.82 0.28 0.00 0.00 0.00 0.00 30.24 29.70 1q8c n GLN 87 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1q8c n THR 88 N 0.02 2.16 -1.27 1.69 -1.04 -1.26 -5.31 114.28 109.26 1q8c n THR 88 Ca 0.06 -1.61 -0.08 0.00 -2.04 0.00 0.00 64.05 60.38 1q8c n THR 88 Cb 0.75 -0.12 -0.07 0.00 -1.82 0.00 0.00 70.33 69.07 1q8c n THR 88 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1q8c n LYS 97 N -0.00 0.07 -1.82 -2.82 4.81 -1.26 -5.29 118.16 111.85 1q8c n LYS 97 Ca 0.22 -0.60 -0.41 0.00 -0.87 0.00 0.00 58.31 56.65 1q8c n LYS 97 Cb 0.89 -2.12 -0.01 0.00 0.02 0.00 0.00 35.03 33.81 1q8c n LYS 97 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1q8c s ILE 98 N 6.56 2.10 0.68 3.15 2.07 -1.26 -5.02 121.20 129.49 1q8c s ILE 98 Ca 0.46 0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 59.78 1q8c s ILE 98 Cb -0.11 -3.06 0.08 0.00 0.13 0.00 0.00 42.46 39.50 1q8c s ILE 98 CO 0.13 0.02 0.95 -0.62 -1.91 0.00 0.00 174.94 173.51 1q8c s ASP 99 N -0.03 4.69 0.17 4.50 3.68 -1.26 -4.93 116.67 123.49 1q8c s ASP 99 Ca 0.55 -0.00 0.07 0.00 2.13 0.00 0.00 52.55 55.29 1q8c s ASP 99 Cb -0.46 -0.59 -0.01 0.00 -1.45 0.00 0.00 42.92 40.41 1q8c s ASP 99 CO 0.59 -1.62 1.39 -0.07 0.13 0.00 0.00 175.17 175.60 1q8c h LEU 100 N -0.42 0.06 -0.26 -1.34 3.38 -1.98 -0.54 115.31 114.21 1q8c h LEU 100 Ca -0.41 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 1q8c h LEU 100 Cb 1.29 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1q8c h LEU 100 CO 0.49 0.90 -0.11 0.25 0.09 0.00 0.00 178.44 180.06 1q8c h LEU 101 N 0.02 0.55 -1.13 1.67 5.85 -1.95 -0.54 115.31 119.78 1q8c h LEU 101 Ca -0.02 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.24 1q8c h LEU 101 Cb 1.53 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.39 1q8c h LEU 101 CO 0.12 0.83 -0.00 0.71 -0.34 0.00 0.00 178.44 179.76 1q8c h THR 102 N 0.28 1.21 -0.46 1.05 1.35 -1.95 -0.80 112.91 113.59 1q8c h THR 102 Ca 0.06 -0.85 -0.03 0.00 -0.55 0.00 0.00 66.41 65.04 1q8c h THR 102 Cb 0.62 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1q8c h THR 102 CO 0.04 0.30 0.17 0.74 -0.25 0.00 0.00 175.52 176.51 1q8c h THR 103 N 0.57 1.21 -0.57 6.82 2.02 -1.01 -1.67 112.91 120.28 1q8c h THR 103 Ca 0.12 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 1q8c h THR 103 Cb 0.37 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1q8c h THR 103 CO 0.01 0.25 0.15 0.00 0.37 0.00 0.00 175.52 176.30 1q8c h ALA 104 N 1.02 1.19 -0.44 6.16 0.00 -0.13 0.13 119.26 127.19 1q8c h ALA 104 Ca 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1q8c h ALA 104 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1q8c h ALA 104 CO -0.01 0.56 0.16 0.28 0.00 0.00 0.00 179.25 180.23 1q8c h VAL 105 N 0.84 1.21 -0.36 0.00 2.07 -1.08 -2.14 116.25 116.80 1q8c h VAL 105 Ca 0.18 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.92 1q8c h VAL 105 Cb 0.29 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1q8c h VAL 105 CO -0.00 0.25 -0.14 0.58 0.02 0.00 0.00 177.57 178.28 1q8c h VAL 106 N 0.58 1.28 0.00 2.57 2.07 -0.45 -2.84 116.25 119.46 1q8c h VAL 106 Ca 0.15 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1q8c h VAL 106 Cb 0.24 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1q8c h VAL 106 CO -0.01 0.41 -0.14 -0.07 0.02 0.00 0.00 177.57 177.78 1q8c h LEU 107 N 0.51 0.00 -0.30 2.57 3.38 -0.75 -2.27 115.31 118.45 1q8c h LEU 107 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1q8c h LEU 107 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1q8c h LEU 107 CO 0.05 0.14 -0.37 0.00 0.09 0.00 0.00 178.44 178.34 1q8c h ALA 109 N 0.70 0.75 -0.57 0.00 0.00 -1.24 0.13 119.26 119.02 1q8c h ALA 109 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1q8c h ALA 109 Cb 0.96 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1q8c h ALA 109 CO 0.09 0.30 0.27 -0.07 0.00 0.00 0.00 179.25 179.84 1q8c h LEU 110 N 0.79 0.75 -0.88 0.00 3.38 -1.41 -1.08 115.31 116.85 1q8c h LEU 110 Ca 0.20 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1q8c h LEU 110 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1q8c h LEU 110 CO -0.03 0.67 -0.16 0.28 0.09 0.00 0.00 178.44 179.30 1q8c h SER 111 N 0.77 0.64 0.19 -0.43 0.02 -0.70 -2.34 113.55 111.70 1q8c h SER 111 Ca 0.19 -0.20 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1q8c h SER 111 Cb 0.13 -0.17 0.03 0.00 0.14 0.00 0.00 62.40 62.52 1q8c h SER 111 CO -0.02 0.82 -1.22 -0.08 -1.14 0.00 0.00 176.83 175.19 1q8c h GLU 112 N 0.59 0.58 -0.38 3.45 4.81 -0.63 -1.14 114.58 121.86 1q8c h GLU 112 Ca 0.10 -0.77 -0.06 0.00 -0.13 0.00 0.00 59.36 58.50 1q8c h GLU 112 Cb 0.61 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1q8c h GLU 112 CO 0.04 1.34 -0.00 0.37 -0.73 0.00 0.00 179.01 180.03 1q8c h GLN 113 N 0.26 0.60 -0.21 1.92 4.15 -1.15 0.37 115.11 121.06 1q8c h GLN 113 Ca -0.17 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.06 1q8c h GLN 113 Cb 1.89 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 29.49 1q8c h GLN 113 CO 0.23 0.63 -0.04 -0.22 -1.93 0.00 0.00 178.83 177.49 1q8c h LYS 114 N 0.57 0.39 0.08 1.69 1.63 -1.31 -0.62 116.57 119.00 1q8c h LYS 114 Ca 0.12 -0.15 -0.23 0.00 -0.85 0.00 0.00 60.65 59.55 1q8c h LYS 114 Cb 0.37 -0.02 0.02 0.00 -0.60 0.00 0.00 32.23 32.00 1q8c h LYS 114 CO 0.01 0.63 -0.93 0.00 -3.45 0.00 0.00 179.45 175.72 1q8c h ALA 115 N 0.75 0.01 -0.00 5.00 0.00 -0.98 -3.39 119.26 120.64 1q8c h ALA 115 Ca 0.05 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1q8c h ALA 115 Cb 0.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1q8c h ALA 115 CO 0.02 0.51 -0.11 0.72 0.00 0.00 0.00 179.25 180.38 1q8c n HIS 116 N -4.01 0.00 -2.46 0.00 8.25 0.10 -5.01 115.22 112.09 1q8c n HIS 116 Ca -0.12 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.16 1q8c n HIS 116 Cb 0.84 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.95 1q8c n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1q8c n ASN 117 N -0.98 -5.13 -4.73 0.41 4.13 -0.24 -4.94 115.26 103.78 1q8c n ASN 117 Ca 0.01 -0.07 -0.40 0.00 1.68 0.00 0.00 54.58 55.79 1q8c n ASN 117 Cb 0.04 -4.16 0.02 0.00 -1.54 0.00 0.00 39.78 34.14 1q8c n ASN 117 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1q8c n THR 118 N -4.09 2.79 -2.16 3.41 -1.04 -1.26 -4.94 114.28 106.99 1q8c n THR 118 Ca -0.18 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.00 1q8c n THR 118 Cb 0.64 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 1q8c n THR 118 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1q8c s ASP 119 N -0.54 5.89 0.18 8.00 -1.08 -1.26 -4.75 116.67 123.11 1q8c s ASP 119 Ca 0.62 1.87 -0.15 0.00 -0.52 0.00 0.00 52.55 54.37 1q8c s ASP 119 Cb -0.47 -2.54 0.15 0.00 -1.46 0.00 0.00 42.92 38.59 1q8c s ASP 119 CO 0.57 -1.09 1.69 0.50 0.52 0.00 0.00 175.17 177.35 1q8c h LYS 120 N 0.72 0.09 -0.64 4.34 3.64 -1.93 -2.54 116.57 120.25 1q8c h LYS 120 Ca -0.48 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 58.91 1q8c h LYS 120 Cb 1.22 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 1q8c h LYS 120 CO 0.58 0.06 0.42 -1.35 -2.27 0.00 0.00 179.45 176.88 1q8c h PRO 121 N 0.09 0.81 -0.57 1.90 0.11 -1.93 -1.52 132.00 130.90 1q8c h PRO 121 Ca 0.22 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1q8c h PRO 121 Cb 0.33 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1q8c h PRO 121 CO -0.39 0.54 0.23 1.25 -0.21 0.00 0.00 178.00 179.42 1q8c h LEU 122 N 0.83 0.78 -0.22 2.35 5.85 -1.91 -1.98 115.31 121.01 1q8c h LEU 122 Ca 0.25 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1q8c h LEU 122 Cb -0.05 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1q8c h LEU 122 CO -0.07 0.73 0.11 -0.07 -0.34 0.00 0.00 178.44 178.80 1q8c h LEU 123 N 0.78 0.28 0.09 2.25 3.38 -1.12 -1.47 115.31 119.51 1q8c h LEU 123 Ca 0.19 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1q8c h LEU 123 Cb 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1q8c h LEU 123 CO -0.02 0.31 -0.04 0.40 0.09 0.00 0.00 178.44 179.18 1q8c h ILE 124 N 0.24 1.02 -0.26 1.22 2.04 -1.22 0.53 117.51 121.08 1q8c h ILE 124 Ca 0.08 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1q8c h ILE 124 Cb 0.09 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1q8c h ILE 124 CO -0.01 0.10 0.09 0.77 0.00 0.00 0.00 178.15 179.10 1q8c h SER 125 N -0.31 0.11 -0.99 1.72 4.64 -1.32 -0.78 113.55 116.61 1q8c h SER 125 Ca -0.01 0.03 0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1q8c h SER 125 Cb 0.26 0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 1q8c h SER 125 CO 0.02 0.09 0.64 -0.08 -0.87 0.00 0.00 176.83 176.63 1q8c h GLU 126 N 0.21 1.07 -0.62 4.77 4.57 -1.19 -0.05 114.58 123.35 1q8c h GLU 126 Ca 0.11 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 1q8c h GLU 126 Cb 0.08 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.40 1q8c h GLU 126 CO -0.11 0.71 0.04 0.00 -1.18 0.00 0.00 179.01 178.46 1q8c h ALA 127 N 1.49 0.90 -0.03 2.92 0.00 0.47 -1.45 119.26 123.56 1q8c h ALA 127 Ca 0.45 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1q8c h ALA 127 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1q8c h ALA 127 CO -0.19 0.66 -0.63 -0.07 0.00 0.00 0.00 179.25 179.02 1q8c h LEU 128 N 0.97 0.12 -0.90 0.00 3.38 -0.41 -1.21 115.31 117.26 1q8c h LEU 128 Ca 0.18 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1q8c h LEU 128 Cb 0.51 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1q8c h LEU 128 CO 0.02 0.72 -0.14 0.25 0.09 0.00 0.00 178.44 179.38 1q8c h LEU 129 N 0.08 0.65 -0.36 1.67 5.85 -0.63 -1.87 115.31 120.69 1q8c h LEU 129 Ca -0.01 -0.19 -0.19 0.00 0.84 0.00 0.00 57.88 58.33 1q8c h LEU 129 Cb 1.12 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1q8c h LEU 129 CO 0.09 0.81 -0.73 0.40 -0.34 0.00 0.00 178.44 178.66 1q8c h ILE 130 N 0.60 1.36 -0.82 4.05 2.04 -0.87 -2.28 117.51 121.58 1q8c h ILE 130 Ca 0.10 -2.11 -0.03 0.00 1.00 0.00 0.00 64.86 63.83 1q8c h ILE 130 Cb 0.58 2.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 1q8c h ILE 130 CO 0.04 0.64 0.41 0.24 0.00 0.00 0.00 178.15 179.48 1q8c h MET 131 N 0.32 1.17 -0.79 2.37 2.86 -1.05 -1.88 114.93 117.94 1q8c h MET 131 Ca -0.03 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1q8c h MET 131 Cb 1.32 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 1q8c h MET 131 CO 0.13 0.89 0.34 -0.44 1.06 0.00 0.00 176.91 178.89 1q8c h ASP 132 N 1.16 1.07 -0.75 1.22 3.32 -1.28 -1.00 116.42 120.15 1q8c h ASP 132 Ca 0.28 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1q8c h ASP 132 Cb 0.09 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1q8c h ASP 132 CO -0.04 0.94 0.50 -0.74 -1.72 0.00 0.00 179.24 178.17 1q8c h HIS 133 N 1.13 0.86 -0.50 4.55 -0.00 -0.80 -0.41 115.15 119.98 1q8c h HIS 133 Ca 0.27 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 1q8c h HIS 133 Cb 0.19 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1q8c h HIS 133 CO 0.02 0.49 0.00 0.66 -0.00 0.00 0.00 177.93 179.10 1q8c n TYR 134 N -4.46 1.44 -3.78 5.26 4.02 -0.76 -4.94 117.16 113.94 1q8c n TYR 134 Ca 0.10 -0.53 -0.23 0.00 -0.01 0.00 0.00 57.90 57.22 1q8c n TYR 134 Cb 0.15 -0.32 -0.01 0.00 -0.02 0.00 0.00 39.34 39.14 1q8c n TYR 134 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1q8c n SER 135 N 0.71 -1.25 -0.08 7.72 3.41 -0.16 -4.83 113.62 119.14 1q8c n SER 135 Ca 0.22 -0.73 -0.16 0.00 -0.26 0.00 0.00 58.87 57.94 1q8c n SER 135 Cb 0.88 -0.89 -0.11 0.00 -0.26 0.00 0.00 64.21 63.82 1q8c n SER 135 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1q8c h GLN 136 N -0.29 0.00 -3.19 4.33 1.08 -1.45 -3.48 115.11 112.11 1q8c h GLN 136 Ca -0.39 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.45 1q8c h GLN 136 Cb 0.79 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.23 1q8c h GLN 136 CO 0.33 0.92 -0.50 0.41 -0.95 0.00 0.00 178.83 179.04 1q8c n GLY 137 N 1.56 -0.38 0.60 3.46 0.00 -1.26 -4.85 105.19 104.31 1q8c n GLY 137 Ca -0.17 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.85 1q8c n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q8c n ALA 138 N -2.50 3.30 -0.55 4.61 0.00 -1.26 -4.79 120.51 119.32 1q8c n ALA 138 Ca -0.17 -2.94 0.44 0.00 0.00 0.00 0.00 53.44 50.77 1q8c n ALA 138 Cb 0.64 -0.49 0.72 0.00 0.00 0.00 0.00 19.45 20.32 1q8c n ALA 138 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1q8c n GLU 139 N -1.14 -0.02 0.30 0.00 1.02 -1.26 -1.54 120.64 117.99 1q8c n GLU 139 Ca 0.21 1.18 0.12 0.00 -0.02 0.00 0.00 57.16 58.66 1q8c n GLU 139 Cb 0.77 -2.45 0.66 0.00 -0.02 0.00 0.00 31.44 30.41 1q8c n GLU 139 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1q8c h LYS 140 N 0.00 0.00 -3.32 3.49 1.79 -2.02 -1.18 116.57 115.33 1q8c h LYS 140 Ca 0.89 0.00 -0.79 0.00 -2.18 0.00 0.00 60.65 58.56 1q8c h LYS 140 Cb 3.11 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 33.51 1q8c h LYS 140 CO -0.31 0.00 0.89 1.63 -1.08 0.00 0.00 179.45 180.58 1q8c n LYS 141 N -2.67 4.02 -0.86 3.15 4.01 -0.59 -5.02 118.16 120.21 1q8c n LYS 141 Ca -0.02 -4.34 -0.29 0.00 -0.51 0.00 0.00 58.31 53.15 1q8c n LYS 141 Cb 0.40 -2.62 0.02 0.00 -0.51 0.00 0.00 35.03 32.33 1q8c n LYS 141 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q8c n GLN 142 N 2.36 0.00 -1.13 1.97 0.00 -0.45 -4.70 117.38 115.43 1q8c n GLN 142 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 57.00 57.10 1q8c n GLN 142 Cb 0.36 -0.90 -0.13 0.00 0.00 0.00 0.00 30.24 29.57 1q8c n GLN 142 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1q8c n THR 143 N -3.07 3.29 -1.29 -0.39 -1.04 -1.26 -4.82 114.28 105.71 1q8c n THR 143 Ca -0.01 -1.90 0.00 0.00 -2.04 0.00 0.00 64.05 60.10 1q8c n THR 143 Cb 0.56 -2.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.02 1q8c n THR 143 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1q8c n HIS 144 N 2.47 0.00 0.26 -1.42 -0.00 -1.26 -4.32 115.22 110.95 1q8c n HIS 144 Ca 0.50 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 58.38 1q8c n HIS 144 Cb 0.76 -0.58 0.86 0.00 -0.00 0.00 0.00 29.99 31.02 1q8c n HIS 144 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1q8c h ALA 145 N 3.63 1.00 0.11 -1.41 0.00 -1.91 -2.08 119.26 118.60 1q8c h ALA 145 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 1q8c h ALA 145 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1q8c h ALA 145 CO 0.00 0.00 -1.34 -0.07 0.00 0.00 0.00 179.25 177.84 1q8c h LEU 146 N 0.00 0.37 0.00 0.00 3.38 -1.99 -3.39 115.31 113.68 1q8c h LEU 146 Ca 0.00 -0.44 -0.17 0.00 0.09 0.00 0.00 57.88 57.37 1q8c h LEU 146 Cb 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1q8c h LEU 146 CO 0.00 1.35 -0.97 -0.07 0.09 0.00 0.00 178.44 178.84 1q8c h LEU 147 N 0.06 0.00-10.11 1.67 3.38 -1.58 -3.46 115.31 105.27 1q8c h LEU 147 Ca -0.17 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.29 1q8c h LEU 147 Cb 1.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.71 1q8c h LEU 147 CO 0.18 0.71 -0.30 -1.81 0.09 0.00 0.00 178.44 177.30 1q8c s ASP 148 N -6.33 6.37 -0.12 -0.43 -0.00 -1.14 -5.05 116.67 109.96 1q8c s ASP 148 Ca 0.01 0.40 -0.15 0.00 -0.00 0.00 0.00 52.55 52.81 1q8c s ASP 148 Cb 0.08 -2.01 -0.05 0.00 -0.00 0.00 0.00 42.92 40.95 1q8c s ASP 148 CO 0.79 -0.10 0.36 -1.59 -0.00 0.00 0.00 175.17 174.63 1q8c s LYS 149 N -3.57 4.19 -0.04 8.23 -2.85 -1.26 -4.91 119.74 119.52 1q8c s LYS 149 Ca 0.39 0.25 -0.21 0.00 -1.00 0.00 0.00 55.97 55.39 1q8c s LYS 149 Cb -0.11 -3.38 -0.05 0.00 -2.06 0.00 0.00 37.83 32.23 1q8c s LYS 149 CO 0.30 0.31 0.60 -1.17 0.10 0.00 0.00 175.35 175.50 1q8c s LEU 150 N 0.19 4.36 0.00 2.77 2.96 -1.26 -3.85 118.68 123.85 1q8c s LEU 150 Ca 0.20 1.11 0.14 0.00 -0.22 0.00 0.00 54.13 55.37 1q8c s LEU 150 Cb -0.14 -2.93 0.85 0.00 0.50 0.00 0.00 46.19 44.47 1q8c s LEU 150 CO 0.07 0.02 1.27 0.18 -1.32 0.00 0.00 176.35 176.58