#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y6x n LYS 8 N 0.00 1.29 -4.05 5.55 5.02 -1.26 -5.03 118.16 119.68 1y6x n LYS 8 Ca 0.00 -0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.17 1y6x n LYS 8 Cb 0.00 -1.39 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 1y6x n LYS 8 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1y6x s THR 9 N -2.53 0.16 0.31 -0.18 -4.23 -1.26 -5.02 115.64 102.88 1y6x s THR 9 Ca -0.07 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.79 1y6x s THR 9 Cb 0.06 -1.67 0.29 0.00 1.34 0.00 0.00 72.50 72.52 1y6x s THR 9 CO 0.64 -0.71 1.86 0.15 -0.54 0.00 0.00 174.62 176.02 1y6x h PHE 10 N 2.94 1.04 -0.21 3.99 3.57 -2.02 -1.40 116.94 124.86 1y6x h PHE 10 Ca -0.34 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.15 1y6x h PHE 10 Cb 1.18 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 1y6x h PHE 10 CO 0.47 0.43 -0.03 1.49 -2.23 0.00 0.00 178.31 178.43 1y6x h GLU 11 N 0.92 0.31 -0.30 1.11 4.81 -1.99 -2.41 114.58 117.03 1y6x h GLU 11 Ca 0.47 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.65 1y6x h GLU 11 Cb 0.51 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 1y6x h GLU 11 CO -0.23 0.37 0.17 -0.44 -0.73 0.00 0.00 179.01 178.15 1y6x h ASP 12 N 0.30 0.27 -0.69 1.04 3.32 -1.65 -0.25 116.42 118.76 1y6x h ASP 12 Ca 0.07 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1y6x h ASP 12 Cb 0.26 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1y6x h ASP 12 CO 0.01 0.20 0.28 0.25 -1.72 0.00 0.00 179.24 178.26 1y6x h LEU 13 N 0.35 0.95 -0.65 1.55 5.85 -1.56 -2.02 115.31 119.78 1y6x h LEU 13 Ca 0.12 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1y6x h LEU 13 Cb 0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1y6x h LEU 13 CO -0.06 0.86 0.30 0.15 -0.34 0.00 0.00 178.44 179.35 1y6x h PHE 14 N 0.98 0.95 -0.68 1.25 3.04 -0.92 -0.07 116.94 121.50 1y6x h PHE 14 Ca 0.23 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1y6x h PHE 14 Cb 0.20 -0.29 -0.03 0.00 2.56 0.00 0.00 35.95 38.39 1y6x h PHE 14 CO 0.01 0.72 0.27 0.00 -2.02 0.00 0.00 178.31 177.29 1y6x h ALA 15 N 1.14 0.88 -0.17 2.41 0.00 -0.96 -1.69 119.26 120.87 1y6x h ALA 15 Ca 0.22 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1y6x h ALA 15 Cb 0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1y6x h ALA 15 CO -0.03 0.51 0.06 1.49 0.00 0.00 0.00 179.25 181.28 1y6x h GLU 16 N 0.97 0.14 -0.34 0.00 4.81 -0.68 -1.36 114.58 118.11 1y6x h GLU 16 Ca 0.23 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 1y6x h GLU 16 Cb 0.22 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1y6x h GLU 16 CO -0.02 0.09 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.15 1y6x h LEU 17 N 0.14 0.59 -1.00 1.64 3.38 -0.84 -0.08 115.31 119.13 1y6x h LEU 17 Ca 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1y6x h LEU 17 Cb 0.04 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1y6x h LEU 17 CO -0.07 0.75 0.51 1.23 0.09 0.00 0.00 178.44 180.95 1y6x h GLY 18 N 0.96 1.29 0.98 0.83 0.00 -1.12 -0.94 103.07 105.07 1y6x h GLY 18 Ca 0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1y6x h GLY 18 CO 0.03 0.53 0.16 -1.80 0.00 0.00 0.00 176.54 175.47 1y6x h ASP 19 N 1.22 0.77 -0.83 0.19 1.82 -0.37 -2.31 116.42 116.92 1y6x h ASP 19 Ca 0.31 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 1y6x h ASP 19 Cb -0.02 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 39.74 1y6x h ASP 19 CO -0.06 0.78 0.47 0.03 -1.61 0.00 0.00 179.24 178.85 1y6x h ARG 20 N 0.73 1.16 -0.23 0.28 2.47 -0.66 -0.30 114.38 117.83 1y6x h ARG 20 Ca 0.17 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.70 1y6x h ARG 20 Cb 0.28 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1y6x h ARG 20 CO -0.00 0.84 -0.14 0.00 0.56 0.00 0.00 179.97 181.23 1y6x h ALA 21 N 1.35 1.35 0.02 0.04 0.00 -0.97 0.16 119.26 121.20 1y6x h ALA 21 Ca 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y6x h ALA 21 Cb 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1y6x h ALA 21 CO -0.05 0.44 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1y6x h ARG 22 N 0.35 -0.02 0.00 0.00 3.08 -0.82 -3.37 114.38 113.60 1y6x h ARG 22 Ca 0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1y6x h ARG 22 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1y6x h ARG 22 CO 0.03 0.59 -0.95 1.79 -1.07 0.00 0.00 179.97 180.35 1y6x h THR 23 N -0.65 0.16 -6.10 2.04 1.35 -1.04 -3.49 112.91 105.19 1y6x h THR 23 Ca -0.00 -1.29 -0.38 0.00 -0.55 0.00 0.00 66.41 64.19 1y6x h THR 23 Cb 0.62 1.73 0.09 0.00 -1.73 0.00 0.00 68.15 68.85 1y6x h THR 23 CO 0.00 0.09 -0.86 0.54 -0.25 0.00 0.00 175.52 175.04 1y6x n ARG 24 N -2.80 -1.36 -2.32 4.72 1.74 0.54 -4.95 116.66 112.22 1y6x n ARG 24 Ca -0.02 0.61 -0.33 0.00 -0.77 0.00 0.00 57.85 57.35 1y6x n ARG 24 Cb 0.62 -4.33 -0.02 0.00 -1.02 0.00 0.00 32.46 27.72 1y6x n ARG 24 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1y6x s PRO 25 N -5.46 3.68 0.52 5.56 0.04 -1.26 -4.94 135.00 133.13 1y6x s PRO 25 Ca 0.40 1.17 0.19 0.00 0.04 0.00 0.00 61.00 62.81 1y6x s PRO 25 Cb -0.13 -2.09 1.29 0.00 0.04 0.00 0.00 34.50 33.62 1y6x s PRO 25 CO 0.84 -0.51 2.08 0.00 0.04 0.00 0.00 177.00 179.45 1y6x h ALA 26 N 0.96 2.18 -0.00 8.56 0.00 -1.99 -2.73 119.26 126.24 1y6x h ALA 26 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1y6x h ALA 26 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1y6x h ALA 26 CO 0.59 -0.24 -0.08 -3.47 0.00 0.00 0.00 179.25 176.04 1y6x n ASP 27 N -4.47 0.45 -4.61 0.00 4.64 -1.26 -4.89 116.55 106.41 1y6x n ASP 27 Ca 0.02 -0.63 -0.42 0.00 -1.38 0.00 0.00 54.79 52.39 1y6x n ASP 27 Cb 0.29 -0.08 -0.05 0.00 -1.04 0.00 0.00 41.12 40.25 1y6x n ASP 27 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1y6x s SER 28 N -2.41 6.63 0.36 1.67 0.15 -1.03 -4.91 113.70 114.16 1y6x s SER 28 Ca 0.31 0.58 0.04 0.00 0.70 0.00 0.00 55.95 57.58 1y6x s SER 28 Cb 0.20 -2.40 0.69 0.00 -1.71 0.00 0.00 66.02 62.80 1y6x s SER 28 CO 0.46 -0.64 1.99 0.74 1.20 0.00 0.00 173.24 176.99 1y6x h THR 29 N 5.63 1.15 -0.99 6.45 2.02 -1.91 -2.89 112.91 122.38 1y6x h THR 29 Ca -0.25 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.60 1y6x h THR 29 Cb 1.10 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 1y6x h THR 29 CO 0.89 0.17 0.65 0.74 0.37 0.00 0.00 175.52 178.33 1y6x h THR 30 N 0.70 1.18 0.38 3.16 2.02 -1.97 -1.92 112.91 116.45 1y6x h THR 30 Ca 0.18 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.92 1y6x h THR 30 Cb 0.00 -0.19 -0.00 0.00 -1.74 0.00 0.00 68.15 66.22 1y6x h THR 30 CO -0.03 0.23 -0.21 0.58 0.37 0.00 0.00 175.52 176.46 1y6x h VAL 31 N 1.26 0.57 -0.85 3.16 2.07 -1.83 0.28 116.25 120.91 1y6x h VAL 31 Ca 0.39 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.92 1y6x h VAL 31 Cb -0.01 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1y6x h VAL 31 CO -0.12 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.02 1y6x h ALA 32 N 0.07 1.08 -0.62 1.67 0.00 -1.62 -0.68 119.26 119.15 1y6x h ALA 32 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1y6x h ALA 32 Cb 0.44 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1y6x h ALA 32 CO 0.06 0.50 0.18 0.00 0.00 0.00 0.00 179.25 179.99 1y6x h ALA 33 N 1.30 0.82 -0.35 0.00 0.00 -0.99 -0.89 119.26 119.15 1y6x h ALA 33 Ca 0.31 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1y6x h ALA 33 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1y6x h ALA 33 CO -0.07 0.50 -0.34 -0.07 0.00 0.00 0.00 179.25 179.27 1y6x h LEU 34 N 0.90 0.82 -1.56 0.00 3.38 -0.11 -2.67 115.31 116.07 1y6x h LEU 34 Ca 0.20 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1y6x h LEU 34 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1y6x h LEU 34 CO -0.00 1.09 -0.22 0.44 0.09 0.00 0.00 178.44 179.83 1y6x h ASP 35 N 0.65 0.00 0.81 -0.43 3.32 -0.99 -3.32 116.42 116.46 1y6x h ASP 35 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1y6x h ASP 35 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1y6x h ASP 35 CO 0.08 0.22 -0.24 0.61 -1.72 0.00 0.00 179.24 178.19 1y6x n GLY 36 N -0.54 -1.40 0.00 2.75 0.00 -0.35 -5.04 105.19 100.61 1y6x n GLY 36 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1y6x n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y6x n GLY 37 N 1.48 1.98 0.26 -0.02 0.00 -1.22 -4.71 105.19 102.97 1y6x n GLY 37 Ca 0.06 -1.82 -0.02 0.00 0.00 0.00 0.00 46.02 44.25 1y6x n GLY 37 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1y6x h VAL 38 N 0.00 1.23 -0.51 1.61 3.04 -1.91 -3.18 116.25 116.52 1y6x h VAL 38 Ca 0.00 -0.99 0.01 0.00 -1.01 0.00 0.00 66.70 64.71 1y6x h VAL 38 Cb 0.00 1.09 -0.03 0.00 -2.01 0.00 0.00 31.29 30.34 1y6x h VAL 38 CO 0.00 0.33 0.33 -0.74 -1.01 0.00 0.00 177.57 176.48 1y6x h HIS 39 N 0.50 0.63 -0.24 3.17 -0.00 -1.99 -0.73 115.15 116.49 1y6x h HIS 39 Ca 0.09 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.41 1y6x h HIS 39 Cb 0.47 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 1y6x h HIS 39 CO 0.02 0.39 -0.17 0.00 -0.00 0.00 0.00 177.93 178.17 1y6x h ALA 40 N 1.20 1.28 -0.34 5.26 0.00 -1.83 -2.14 119.26 122.69 1y6x h ALA 40 Ca 0.19 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1y6x h ALA 40 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1y6x h ALA 40 CO -0.05 0.48 -0.14 -0.07 0.00 0.00 0.00 179.25 179.47 1y6x h LEU 41 N 0.37 0.71 -0.76 0.00 3.38 -1.33 -1.72 115.31 115.96 1y6x h LEU 41 Ca 0.07 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1y6x h LEU 41 Cb 0.52 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1y6x h LEU 41 CO 0.03 0.95 0.47 1.23 0.09 0.00 0.00 178.44 181.21 1y6x h GLY 42 N 0.47 1.09 1.00 0.83 0.00 -0.99 -0.85 103.07 104.62 1y6x h GLY 42 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1y6x h GLY 42 CO 0.05 0.43 0.21 1.70 0.00 0.00 0.00 176.54 178.92 1y6x h LYS 43 N 1.03 0.42 -0.59 4.80 3.64 -1.31 -1.22 116.57 123.34 1y6x h LYS 43 Ca 0.27 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 1y6x h LYS 43 Cb -0.06 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 1y6x h LYS 43 CO -0.05 0.28 0.35 -0.22 -2.27 0.00 0.00 179.45 177.54 1y6x h LYS 44 N 0.43 0.81 -0.55 1.90 1.63 -1.05 -0.89 116.57 118.84 1y6x h LYS 44 Ca 0.12 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1y6x h LYS 44 Cb -0.04 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.40 1y6x h LYS 44 CO -0.02 0.59 0.35 1.25 -3.45 0.00 0.00 179.45 178.17 1y6x h LEU 45 N 0.80 0.64 -0.37 5.20 5.85 -0.94 -1.08 115.31 125.41 1y6x h LEU 45 Ca 0.21 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1y6x h LEU 45 Cb -0.00 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1y6x h LEU 45 CO -0.04 0.48 0.13 0.25 -0.34 0.00 0.00 178.44 178.93 1y6x h LEU 46 N 0.75 0.52 -0.55 2.25 5.85 -0.92 -1.08 115.31 122.13 1y6x h LEU 46 Ca 0.20 -0.19 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1y6x h LEU 46 Cb -0.06 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 40.75 1y6x h LEU 46 CO -0.04 0.57 0.05 -0.08 -0.34 0.00 0.00 178.44 178.60 1y6x h GLU 47 N 0.44 0.17 -0.30 1.25 4.81 -0.96 -1.85 114.58 118.13 1y6x h GLU 47 Ca 0.12 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.24 1y6x h GLU 47 Cb 0.22 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1y6x h GLU 47 CO -0.01 0.11 -0.24 0.93 -0.73 0.00 0.00 179.01 179.07 1y6x h GLU 48 N 0.17 0.59 -0.95 1.92 4.39 -0.89 -1.07 114.58 118.75 1y6x h GLU 48 Ca 0.28 -0.23 0.01 0.00 0.34 0.00 0.00 59.36 59.76 1y6x h GLU 48 Cb 0.43 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.00 1y6x h GLU 48 CO -0.42 0.78 0.62 0.00 -1.16 0.00 0.00 179.01 178.83 1y6x h ALA 49 N 1.22 1.31 -0.42 3.43 0.00 -0.67 0.12 119.26 124.24 1y6x h ALA 49 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1y6x h ALA 49 Cb 0.69 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1y6x h ALA 49 CO 0.05 0.64 0.14 0.78 0.00 0.00 0.00 179.25 180.86 1y6x h GLY 50 N 1.29 0.70 1.01 0.00 0.00 -0.75 -1.25 103.07 104.08 1y6x h GLY 50 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1y6x h GLY 50 CO -0.07 0.38 0.57 0.83 0.00 0.00 0.00 176.54 178.25 1y6x h GLU 51 N 0.54 1.18 -0.53 4.80 4.39 -0.72 -1.15 114.58 123.09 1y6x h GLU 51 Ca 0.14 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 1y6x h GLU 51 Cb 0.24 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1y6x h GLU 51 CO -0.01 0.79 0.28 0.28 -1.16 0.00 0.00 179.01 179.19 1y6x h VAL 52 N 1.20 1.19 -0.04 3.13 2.07 -0.57 -1.07 116.25 122.16 1y6x h VAL 52 Ca 0.32 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1y6x h VAL 52 Cb -0.11 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1y6x h VAL 52 CO -0.07 0.21 0.02 -0.25 0.02 0.00 0.00 177.57 177.50 1y6x h TRP 53 N 0.71 0.06 -0.52 1.57 2.91 -0.79 0.99 115.95 120.87 1y6x h TRP 53 Ca 0.18 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.29 1y6x h TRP 53 Cb 0.08 -0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 28.64 1y6x h TRP 53 CO -0.01 0.10 0.10 -0.07 -1.03 0.00 0.00 178.44 177.53 1y6x h LEU 54 N -0.00 -0.01 -0.69 0.65 3.38 -1.11 -1.57 115.31 115.96 1y6x h LEU 54 Ca 0.01 0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1y6x h LEU 54 Cb 0.06 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1y6x h LEU 54 CO -0.00 0.02 -0.18 0.00 0.09 0.00 0.00 178.44 178.36 1y6x h ALA 55 N 1.41 0.87 -0.47 1.53 0.00 -0.89 -1.09 119.26 120.63 1y6x h ALA 55 Ca 0.26 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1y6x h ALA 55 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1y6x h ALA 55 CO -0.35 0.63 0.11 0.00 0.00 0.00 0.00 179.25 179.65 1y6x h ALA 56 N 1.06 1.32 0.08 0.00 0.00 -0.30 -0.40 119.26 121.03 1y6x h ALA 56 Ca 0.11 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 1y6x h ALA 56 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1y6x h ALA 56 CO 0.05 0.48 -1.33 0.93 0.00 0.00 0.00 179.25 179.39 1y6x h GLU 57 N 0.68 0.18 0.00 0.00 4.39 -1.11 -3.43 114.58 115.28 1y6x h GLU 57 Ca 0.15 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1y6x h GLU 57 Cb 0.26 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1y6x h GLU 57 CO -0.00 1.07 0.00 0.72 -1.16 0.00 0.00 179.01 179.64 1y6x n HIS 58 N -3.42 0.00 -4.70 4.33 8.25 -0.43 -5.11 115.22 114.14 1y6x n HIS 58 Ca -0.10 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.05 1y6x n HIS 58 Cb 1.01 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.03 1y6x n HIS 58 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1y6x s GLU 59 N -0.27 2.10 0.85 -0.41 0.41 -0.17 -5.01 118.70 116.20 1y6x s GLU 59 Ca 0.00 -2.28 -0.11 0.00 -0.41 0.00 0.00 54.97 52.17 1y6x s GLU 59 Cb 0.00 -1.56 0.10 0.00 -1.78 0.00 0.00 34.13 30.89 1y6x s GLU 59 CO 0.00 -0.24 1.09 -1.54 -0.49 0.00 0.00 175.26 174.09 1y6x s SER 60 N -3.81 3.81 0.26 -0.19 1.04 -1.26 -4.79 113.70 108.76 1y6x s SER 60 Ca 0.18 1.68 -0.02 0.00 0.48 0.00 0.00 55.95 58.27 1y6x s SER 60 Cb 0.05 -2.35 0.48 0.00 0.10 0.00 0.00 66.02 64.29 1y6x s SER 60 CO 0.09 -2.46 1.80 0.78 0.98 0.00 0.00 173.24 174.43 1y6x h ASN 61 N -1.42 0.67 -0.44 7.02 4.21 -1.99 -0.93 115.58 122.70 1y6x h ASN 61 Ca -0.47 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 57.08 1y6x h ASN 61 Cb 1.26 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 38.38 1y6x h ASN 61 CO 0.52 0.34 0.19 -0.78 -1.29 0.00 0.00 177.43 176.41 1y6x h ASP 62 N 0.77 0.60 -0.72 5.81 1.82 -1.99 -0.06 116.42 122.65 1y6x h ASP 62 Ca 0.44 -0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.89 1y6x h ASP 62 Cb 0.49 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.32 1y6x h ASP 62 CO -0.29 0.59 0.31 0.00 -1.61 0.00 0.00 179.24 178.24 1y6x h ALA 63 N 1.03 0.93 -0.47 -0.78 0.00 -1.80 -0.72 119.26 117.45 1y6x h ALA 63 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1y6x h ALA 63 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1y6x h ALA 63 CO -0.01 0.52 0.13 1.25 0.00 0.00 0.00 179.25 181.14 1y6x h LEU 64 N 1.01 0.71 -0.92 0.00 5.85 -0.98 -1.87 115.31 119.10 1y6x h LEU 64 Ca 0.24 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1y6x h LEU 64 Cb 0.17 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1y6x h LEU 64 CO -0.03 0.74 0.60 0.00 -0.34 0.00 0.00 178.44 179.42 1y6x h ALA 65 N 0.99 1.20 0.06 1.25 0.00 -0.70 0.15 119.26 122.21 1y6x h ALA 65 Ca 0.15 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1y6x h ALA 65 Cb 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1y6x h ALA 65 CO -0.00 0.49 -0.08 1.49 0.00 0.00 0.00 179.25 181.15 1y6x h GLU 66 N 1.19 -0.16 -0.50 0.00 4.57 -0.85 -0.33 114.58 118.50 1y6x h GLU 66 Ca 0.36 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.44 1y6x h GLU 66 Cb -0.04 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1y6x h GLU 66 CO -0.11 -0.11 -0.12 0.93 -1.18 0.00 0.00 179.01 178.42 1y6x h GLU 67 N -0.17 0.94 -0.76 1.92 4.39 -0.99 -2.29 114.58 117.63 1y6x h GLU 67 Ca 0.01 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.37 1y6x h GLU 67 Cb 0.17 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1y6x h GLU 67 CO -0.04 1.00 0.49 0.82 -1.16 0.00 0.00 179.01 180.13 1y6x h ILE 68 N 0.83 1.20 -0.72 3.13 2.04 -0.89 -0.56 117.51 122.54 1y6x h ILE 68 Ca 0.13 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1y6x h ILE 68 Cb 0.67 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1y6x h ILE 68 CO 0.05 0.20 0.46 0.77 0.00 0.00 0.00 178.15 179.63 1y6x h SER 69 N 1.03 0.84 -0.23 1.72 4.64 -0.68 -0.10 113.55 120.77 1y6x h SER 69 Ca 0.28 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1y6x h SER 69 Cb -0.10 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.78 1y6x h SER 69 CO -0.06 0.62 -0.51 1.56 -0.87 0.00 0.00 176.83 177.58 1y6x h GLN 70 N 0.99 0.82 -0.52 4.77 1.08 -0.85 -0.96 115.11 120.44 1y6x h GLN 70 Ca 0.26 -0.49 0.02 0.00 -1.45 0.00 0.00 58.65 56.99 1y6x h GLN 70 Cb -0.09 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1y6x h GLN 70 CO -0.05 1.13 0.32 1.25 -0.95 0.00 0.00 178.83 180.52 1y6x h LEU 71 N 0.64 0.53 -0.54 1.46 5.85 -0.43 -0.89 115.31 121.93 1y6x h LEU 71 Ca 0.02 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1y6x h LEU 71 Cb 1.10 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1y6x h LEU 71 CO 0.11 0.38 0.21 -0.07 -0.34 0.00 0.00 178.44 178.73 1y6x h LEU 72 N 0.64 0.76 -0.01 2.25 3.38 -0.91 -1.17 115.31 120.25 1y6x h LEU 72 Ca 0.20 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1y6x h LEU 72 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1y6x h LEU 72 CO -0.08 0.72 -0.18 0.22 0.09 0.00 0.00 178.44 179.21 1y6x h TYR 73 N 0.74 -0.48 -0.07 1.13 5.03 -0.86 -1.79 116.97 120.68 1y6x h TYR 73 Ca 0.18 0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.44 1y6x h TYR 73 Cb 0.21 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 1y6x h TYR 73 CO 0.01 -0.26 -0.28 -1.49 -1.32 0.00 0.00 178.16 174.82 1y6x h TRP 74 N -0.29 0.14 -0.59 -3.82 4.06 -1.02 -1.34 115.95 113.08 1y6x h TRP 74 Ca 0.06 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 1y6x h TRP 74 Cb 0.37 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 1y6x h TRP 74 CO -0.24 0.40 0.33 1.15 -3.56 0.00 0.00 178.44 176.53 1y6x h THR 75 N 0.12 1.19 -0.64 1.49 2.02 -0.93 -1.12 112.91 115.03 1y6x h THR 75 Ca 0.02 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 1y6x h THR 75 Cb 0.56 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1y6x h THR 75 CO 0.04 0.20 0.16 1.56 0.37 0.00 0.00 175.52 177.84 1y6x h GLN 76 N 0.79 1.02 -0.70 6.66 4.20 -0.66 -2.87 115.11 123.55 1y6x h GLN 76 Ca 0.21 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1y6x h GLN 76 Cb 0.02 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 1y6x h GLN 76 CO -0.04 0.92 0.34 0.28 -0.67 0.00 0.00 178.83 179.66 1y6x h VAL 77 N 0.94 1.23 0.00 -0.54 2.07 -1.05 -0.99 116.25 117.91 1y6x h VAL 77 Ca 0.20 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1y6x h VAL 77 Cb 0.36 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1y6x h VAL 77 CO 0.00 0.27 0.00 -0.11 0.02 0.00 0.00 177.57 177.75 1y6x n LEU 78 N -4.44 0.12 0.00 2.57 7.94 -0.44 -0.79 117.00 121.96 1y6x n LEU 78 Ca 0.06 -0.06 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1y6x n LEU 78 Cb 0.13 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1y6x n LEU 78 CO 0.39 0.02 0.00 -0.38 -1.11 0.00 0.00 177.39 176.31 1y6x n ILE 80 N 0.86 0.00 -0.29 1.96 5.41 -0.38 -1.79 119.36 125.13 1y6x n ILE 80 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 1y6x n ILE 80 Cb 0.02 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.09 1y6x n ILE 80 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1y6x h SER 81 N 0.00 0.77 0.11 4.38 0.87 -1.22 -2.60 113.55 115.87 1y6x h SER 81 Ca 0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1y6x h SER 81 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1y6x h SER 81 CO 0.00 0.49 -0.14 0.54 -0.53 0.00 0.00 176.83 177.19 1y6x n ARG 82 N -4.66 1.26 -1.50 2.24 5.12 -0.74 -4.96 116.66 113.42 1y6x n ARG 82 Ca 0.12 -0.75 0.00 0.00 -1.93 0.00 0.00 57.85 55.28 1y6x n ARG 82 Cb 0.19 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.00 1y6x n ARG 82 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y6x n GLY 83 N 1.27 0.45 3.81 -0.13 0.00 -0.98 -5.05 105.19 104.57 1y6x n GLY 83 Ca 0.15 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1y6x n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y6x s LEU 84 N 0.00 4.37 0.41 0.99 1.43 -1.26 -5.01 118.68 119.60 1y6x s LEU 84 Ca 0.00 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 1y6x s LEU 84 Cb 0.00 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 1y6x s LEU 84 CO 0.00 0.06 0.60 -0.94 0.23 0.00 0.00 176.35 176.31 1y6x s SER 85 N -1.60 5.88 0.21 2.29 1.04 -1.26 -4.44 113.70 115.83 1y6x s SER 85 Ca 0.41 0.14 -0.10 0.00 0.48 0.00 0.00 55.95 56.89 1y6x s SER 85 Cb -0.17 -1.45 0.25 0.00 0.10 0.00 0.00 66.02 64.75 1y6x s SER 85 CO 0.21 -0.61 1.78 -0.07 0.98 0.00 0.00 173.24 175.53 1y6x h LEU 86 N 0.56 0.41 -1.23 2.42 3.38 -2.00 -2.53 115.31 116.32 1y6x h LEU 86 Ca -0.46 0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.60 1y6x h LEU 86 Cb 1.25 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.93 1y6x h LEU 86 CO 0.56 0.25 0.54 0.44 0.09 0.00 0.00 178.44 180.33 1y6x h ASP 87 N 0.55 0.85 -0.93 -0.43 3.32 -1.97 0.22 116.42 118.03 1y6x h ASP 87 Ca 0.30 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.44 1y6x h ASP 87 Cb 0.27 -0.19 -0.08 0.00 0.22 0.00 0.00 39.33 39.55 1y6x h ASP 87 CO -0.23 0.57 0.58 0.44 -1.72 0.00 0.00 179.24 178.88 1y6x h ASP 88 N 0.98 0.87 0.12 6.45 3.32 -1.84 -1.16 116.42 125.15 1y6x h ASP 88 Ca 0.34 0.04 -0.20 0.00 0.02 0.00 0.00 57.03 57.22 1y6x h ASP 88 Cb 0.10 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.52 1y6x h ASP 88 CO -0.11 0.50 -0.94 0.58 -1.72 0.00 0.00 179.24 177.55 1y6x h VAL 89 N 0.97 1.37 0.00 -1.35 2.07 -1.30 -3.37 116.25 114.65 1y6x h VAL 89 Ca 0.44 -2.47 -0.05 0.00 0.82 0.00 0.00 66.70 65.44 1y6x h VAL 89 Cb 0.35 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.15 1y6x h VAL 89 CO -0.23 0.69 -0.24 1.88 0.02 0.00 0.00 177.57 179.69 1y6x h TYR 90 N -0.42 0.00 0.00 1.57 0.05 -0.43 -1.73 116.97 116.01 1y6x h TYR 90 Ca -0.19 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1y6x h TYR 90 Cb 1.62 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.36 1y6x h TYR 90 CO 0.18 0.24 0.00 0.00 -1.05 0.00 0.00 178.16 177.53 1y6x h ARG 91 N 0.00 0.00 -0.03 4.88 3.08 -1.37 -2.13 114.38 118.80 1y6x h ARG 91 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1y6x h ARG 91 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1y6x h ARG 91 CO 0.03 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.56 1y6x n LYS 92 N -2.42 2.31 0.00 0.04 5.02 -0.65 -5.13 118.16 117.33 1y6x n LYS 92 Ca -0.01 -1.92 0.13 0.00 -2.02 0.00 0.00 58.31 54.49 1y6x n LYS 92 Cb 0.09 -1.46 0.25 0.00 -0.02 0.00 0.00 35.03 33.89 1y6x n LYS 92 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16