#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y7c n HIS 2 N 0.00 3.68 -4.12 2.03 -0.00 -1.26 -4.92 115.22 110.63 1y7c n HIS 2 Ca 0.00 -3.71 -0.36 0.00 -0.00 0.00 0.00 57.72 53.65 1y7c n HIS 2 Cb 0.00 -0.66 -0.08 0.00 -0.00 0.00 0.00 29.99 29.25 1y7c n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y7c s LEU 3 N -3.40 3.99 0.31 0.27 1.43 -1.26 -5.09 118.68 114.92 1y7c s LEU 3 Ca 0.45 0.30 -0.28 0.00 -1.03 0.00 0.00 54.13 53.57 1y7c s LEU 3 Cb 0.23 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 1y7c s LEU 3 CO -0.10 0.39 1.09 -0.89 0.23 0.00 0.00 176.35 177.07 1y7c s THR 4 N -0.91 3.53 0.33 5.49 2.01 -1.26 -4.80 115.64 120.02 1y7c s THR 4 Ca 0.14 1.45 0.10 0.00 0.31 0.00 0.00 61.69 63.69 1y7c s THR 4 Cb -0.12 -3.89 0.32 0.00 0.01 0.00 0.00 72.50 68.83 1y7c s THR 4 CO 0.03 0.28 1.76 -0.65 -0.69 0.00 0.00 174.62 175.35 1y7c h PRO 5 N 3.50 0.60 -0.44 4.92 0.11 -1.98 1.30 132.00 140.02 1y7c h PRO 5 Ca -0.47 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1y7c h PRO 5 Cb 1.21 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1y7c h PRO 5 CO 0.66 0.40 -0.03 0.93 -0.21 0.00 0.00 178.00 179.74 1y7c h GLU 6 N 0.62 0.73 0.03 1.05 3.07 -1.98 0.31 114.58 118.41 1y7c h GLU 6 Ca 0.60 -0.20 -0.24 0.00 -0.50 0.00 0.00 59.36 59.02 1y7c h GLU 6 Cb 1.14 -0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1y7c h GLU 6 CO -0.39 0.76 -1.02 0.93 -1.40 0.00 0.00 179.01 177.89 1y7c h GLU 7 N 0.68 0.42 -0.18 2.33 5.08 0.51 -2.21 114.58 121.21 1y7c h GLU 7 Ca 0.13 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 57.98 1y7c h GLU 7 Cb 0.47 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1y7c h GLU 7 CO 0.02 1.16 0.04 0.87 -1.00 0.00 0.00 179.01 180.09 1y7c h LYS 8 N 0.21 0.29 -0.47 2.33 1.57 0.16 -1.96 116.57 118.69 1y7c h LYS 8 Ca -0.10 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 1y7c h LYS 8 Cb 1.68 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.93 1y7c h LYS 8 CO 0.18 0.44 0.08 0.66 -0.57 0.00 0.00 179.45 180.24 1y7c h SER 9 N 0.09 0.68 -0.32 0.86 4.64 -0.39 -1.68 113.55 117.43 1y7c h SER 9 Ca 0.05 -0.13 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 1y7c h SER 9 Cb 0.29 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 1y7c h SER 9 CO 0.00 0.70 -0.28 0.00 -0.87 0.00 0.00 176.83 176.39 1y7c h ALA 10 N 1.39 0.47 0.79 5.18 0.00 -1.20 -1.69 119.26 124.20 1y7c h ALA 10 Ca 0.15 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1y7c h ALA 10 Cb 0.31 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1y7c h ALA 10 CO 0.00 0.48 -0.39 0.28 0.00 0.00 0.00 179.25 179.62 1y7c h VAL 11 N 0.52 0.20 -0.65 0.00 2.07 -1.13 -2.90 116.25 114.36 1y7c h VAL 11 Ca 0.06 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.71 1y7c h VAL 11 Cb 0.85 0.20 -0.12 0.00 -1.52 0.00 0.00 31.29 30.69 1y7c h VAL 11 CO 0.07 0.00 -0.17 0.74 0.02 0.00 0.00 177.57 178.23 1y7c h THR 12 N -1.08 0.34 -0.44 2.57 2.02 -1.33 -1.66 112.91 113.33 1y7c h THR 12 Ca -0.11 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1y7c h THR 12 Cb 0.83 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1y7c h THR 12 CO 0.17 0.00 -0.08 0.00 0.37 0.00 0.00 175.52 175.98 1y7c h ALA 13 N 1.63 1.04 0.11 6.16 0.00 -1.30 -2.96 119.26 123.94 1y7c h ALA 13 Ca 0.31 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1y7c h ALA 13 Cb 0.48 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1y7c h ALA 13 CO -0.68 0.59 -1.20 1.25 0.00 0.00 0.00 179.25 179.21 1y7c h LEU 14 N 0.70 0.46 -1.70 0.00 7.12 -1.26 -3.28 115.31 117.35 1y7c h LEU 14 Ca 0.12 -0.47 0.01 0.00 0.13 0.00 0.00 57.88 57.67 1y7c h LEU 14 Cb 0.55 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.51 1y7c h LEU 14 CO 0.03 1.35 0.21 -0.25 -0.13 0.00 0.00 178.44 179.65 1y7c h TRP 15 N 0.10 0.38 -0.59 1.25 2.91 -1.22 -1.27 115.95 117.51 1y7c h TRP 15 Ca -0.13 0.01 0.06 0.00 1.13 0.00 0.00 58.89 59.96 1y7c h TRP 15 Cb 1.91 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 30.40 1y7c h TRP 15 CO 0.07 0.24 0.39 0.78 -1.03 0.00 0.00 178.44 178.89 1y7c h GLY 16 N 0.41 0.71 -1.20 2.65 0.00 -1.58 -1.65 103.07 102.41 1y7c h GLY 16 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1y7c h GLY 16 CO -0.03 0.18 0.00 0.28 0.00 0.00 0.00 176.54 176.97 1y7c n LYS 17 N -4.47 1.85 -3.28 4.80 5.02 -0.48 -4.94 118.16 116.66 1y7c n LYS 17 Ca 0.08 -1.30 -0.38 0.00 -2.02 0.00 0.00 58.31 54.69 1y7c n LYS 17 Cb 0.23 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 1y7c n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y7c s VAL 18 N -1.61 4.98 -0.56 -0.18 1.01 -0.62 -5.04 120.40 118.38 1y7c s VAL 18 Ca 0.29 1.11 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 1y7c s VAL 18 Cb 0.15 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.74 1y7c s VAL 18 CO 0.22 0.43 0.72 0.21 0.00 0.00 0.00 175.10 176.67 1y7c s ASN 19 N -0.18 6.21 0.46 3.32 3.84 -1.26 -4.92 114.94 122.41 1y7c s ASN 19 Ca 0.29 -1.09 0.15 0.00 0.21 0.00 0.00 52.86 52.41 1y7c s ASN 19 Cb -0.17 -2.32 1.04 0.00 -0.55 0.00 0.00 41.25 39.25 1y7c s ASN 19 CO 0.15 -1.07 2.02 0.58 -2.79 0.00 0.00 177.10 175.99 1y7c h VAL 20 N 5.91 1.11 0.51 -5.21 2.07 -1.96 -1.42 116.25 117.26 1y7c h VAL 20 Ca -0.28 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1y7c h VAL 20 Cb 1.09 1.27 0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1y7c h VAL 20 CO 1.05 0.15 -0.25 0.44 0.02 0.00 0.00 177.57 178.99 1y7c h ASP 21 N 0.01 -0.58 -0.07 0.57 5.19 -1.92 0.18 116.42 119.80 1y7c h ASP 21 Ca 0.00 -0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.33 1y7c h ASP 21 Cb 0.27 0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 1y7c h ASP 21 CO 0.02 -0.30 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.43 1y7c h GLU 22 N -0.85 0.18 -0.38 3.56 5.08 -1.94 -2.50 114.58 117.73 1y7c h GLU 22 Ca -0.07 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1y7c h GLU 22 Cb 0.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1y7c h GLU 22 CO 0.12 0.63 -0.26 0.28 -1.00 0.00 0.00 179.01 178.78 1y7c h VAL 23 N -0.27 1.27 -0.25 3.13 2.07 -1.32 -1.84 116.25 119.06 1y7c h VAL 23 Ca 0.01 -1.38 -0.18 0.00 0.82 0.00 0.00 66.70 65.96 1y7c h VAL 23 Cb 0.60 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1y7c h VAL 23 CO 0.02 0.46 -0.57 1.23 0.02 0.00 0.00 177.57 178.73 1y7c h GLY 24 N 0.96 0.85 0.93 2.17 0.00 -0.73 -1.49 103.07 105.75 1y7c h GLY 24 Ca 0.09 -1.01 -0.08 0.00 0.00 0.00 0.00 47.33 46.33 1y7c h GLY 24 CO 0.06 0.90 -0.09 -1.33 0.00 0.00 0.00 176.54 176.08 1y7c h GLY 25 N 0.80 0.71 1.37 4.60 0.00 -1.40 -2.87 103.07 106.29 1y7c h GLY 25 Ca 0.01 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.61 1y7c h GLY 25 CO 0.12 0.54 -0.34 -2.09 0.00 0.00 0.00 176.54 174.78 1y7c h GLU 26 N 0.44 0.70 0.05 4.80 4.81 -1.32 -2.41 114.58 121.64 1y7c h GLU 26 Ca 0.08 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1y7c h GLU 26 Cb 0.60 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1y7c h GLU 26 CO 0.04 0.94 -0.02 0.00 -0.73 0.00 0.00 179.01 179.23 1y7c h ALA 27 N 1.03 -0.06 -0.41 2.92 0.00 -1.29 -1.57 119.26 119.88 1y7c h ALA 27 Ca 0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1y7c h ALA 27 Cb 0.86 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1y7c h ALA 27 CO 0.07 -0.41 -0.12 1.25 0.00 0.00 0.00 179.25 180.05 1y7c h LEU 28 N -0.32 0.72 -0.20 0.00 5.85 -1.57 -0.83 115.31 118.95 1y7c h LEU 28 Ca -0.01 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.40 1y7c h LEU 28 Cb 0.29 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 1y7c h LEU 28 CO 0.01 0.86 -0.28 1.23 -0.34 0.00 0.00 178.44 179.92 1y7c h GLY 29 N 0.97 0.60 0.94 3.75 0.00 -1.39 -1.88 103.07 106.05 1y7c h GLY 29 Ca 0.11 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.82 1y7c h GLY 29 CO 0.04 0.59 0.65 3.21 0.00 0.00 0.00 176.54 181.03 1y7c h ARG 30 N 0.22 1.24 -0.22 4.80 3.08 -1.20 -0.90 114.38 121.41 1y7c h ARG 30 Ca 0.02 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1y7c h ARG 30 Cb 0.85 -0.28 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 1y7c h ARG 30 CO 0.06 0.82 -0.21 1.25 -1.07 0.00 0.00 179.97 180.83 1y7c h LEU 31 N 1.28 -0.67 -1.59 3.04 5.85 -0.81 0.25 115.31 122.66 1y7c h LEU 31 Ca 0.38 0.12 0.00 0.00 0.84 0.00 0.00 57.88 59.23 1y7c h LEU 31 Cb -0.05 0.32 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1y7c h LEU 31 CO -0.11 -0.25 0.00 -0.07 -0.34 0.00 0.00 178.44 177.67 1y7c h LEU 32 N -0.22 0.00 0.02 2.25 3.38 -0.38 -2.73 115.31 117.63 1y7c h LEU 32 Ca 0.13 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.71 1y7c h LEU 32 Cb 0.42 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1y7c h LEU 32 CO -0.35 0.00 -2.23 0.52 0.09 0.00 0.00 178.44 176.48 1y7c n VAL 33 N -2.81 1.56 -0.04 1.22 0.31 -0.68 -3.86 118.33 114.03 1y7c n VAL 33 Ca 0.00 -0.44 -0.16 0.00 -0.01 0.00 0.00 64.34 63.74 1y7c n VAL 33 Cb 0.22 -1.73 -0.05 0.00 -0.91 0.00 0.00 33.84 31.37 1y7c n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1y7c h VAL 34 N -0.49 1.28 -2.23 2.52 2.07 -0.57 -3.36 116.25 115.47 1y7c h VAL 34 Ca -0.56 -1.87 -0.61 0.00 0.82 0.00 0.00 66.70 64.48 1y7c h VAL 34 Cb 1.73 1.82 -0.41 0.00 -1.52 0.00 0.00 31.29 32.91 1y7c h VAL 34 CO -0.19 0.60 -0.54 -1.22 0.02 0.00 0.00 177.57 176.24 1y7c n TYR 35 N -3.96 3.66 -0.46 1.57 4.01 -1.03 -4.98 117.16 115.96 1y7c n TYR 35 Ca -0.06 -4.08 0.42 0.00 -0.16 0.00 0.00 57.90 54.02 1y7c n TYR 35 Cb 0.69 -0.58 0.75 0.00 -0.31 0.00 0.00 39.34 39.89 1y7c n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y7c h PRO 36 N 4.07 0.00 0.00 -0.72 0.13 -1.73 0.20 132.00 133.95 1y7c h PRO 36 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1y7c h PRO 36 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1y7c h PRO 36 CO 0.86 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.74 1y7c h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.48 115.95 113.20 1y7c h TRP 37 Ca 0.71 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.69 1y7c h TRP 37 Cb 2.96 0.00 0.00 0.00 0.08 0.00 0.00 29.16 32.20 1y7c h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1y7c n THR 38 N -2.51 0.25 0.41 0.12 -2.24 0.06 -2.60 114.28 107.77 1y7c n THR 38 Ca 0.01 0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.94 1y7c n THR 38 Cb 0.23 -0.66 0.39 0.00 -2.10 0.00 0.00 70.33 68.18 1y7c n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y7c n GLN 39 N -1.32 0.09 0.24 -0.78 6.02 -0.93 -2.75 117.38 117.96 1y7c n GLN 39 Ca 0.11 0.36 0.14 0.00 -0.01 0.00 0.00 57.00 57.60 1y7c n GLN 39 Cb 0.20 -1.68 0.77 0.00 1.02 0.00 0.00 30.24 30.55 1y7c n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y7c h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.73 -1.67 114.38 110.00 1y7c h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y7c h ARG 40 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1y7c h ARG 40 CO 0.00 0.00 -1.45 1.19 0.10 0.00 0.00 179.97 179.81 1y7c n PHE 41 N -2.56 0.22 -2.60 4.08 3.01 -1.11 -4.59 117.46 113.91 1y7c n PHE 41 Ca -0.02 0.06 -0.28 0.00 1.01 0.00 0.00 57.45 58.22 1y7c n PHE 41 Cb 0.14 -0.48 -0.01 0.00 -0.01 0.00 0.00 39.48 39.12 1y7c n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y7c n PHE 42 N -2.14 3.58 0.08 1.38 3.01 -0.63 -4.82 117.46 117.92 1y7c n PHE 42 Ca -0.01 -3.33 -0.13 0.00 1.01 0.00 0.00 57.45 54.99 1y7c n PHE 42 Cb 0.50 -0.31 -0.05 0.00 -0.01 0.00 0.00 39.48 39.60 1y7c n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1y7c h GLU 43 N 2.78 0.34 0.00 -1.08 4.39 -1.81 -3.22 114.58 115.99 1y7c h GLU 43 Ca 0.27 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1y7c h GLU 43 Cb 0.71 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1y7c h GLU 43 CO 0.89 1.10 0.00 -1.13 -1.16 0.00 0.00 179.01 178.70 1y7c n SER 44 N -3.69 0.00 0.20 1.42 3.41 -1.26 -3.08 113.62 110.62 1y7c n SER 44 Ca -0.06 0.35 0.10 0.00 -0.26 0.00 0.00 58.87 59.00 1y7c n SER 44 Cb 0.86 -0.43 0.21 0.00 -0.26 0.00 0.00 64.21 64.60 1y7c n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1y7c h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.95 -3.50 116.94 118.87 1y7c h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1y7c h PHE 45 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.16 1y7c h PHE 45 CO 0.00 0.16 0.00 0.41 -0.18 0.00 0.00 178.31 178.70 1y7c n GLY 46 N 0.93 0.19 3.64 -1.45 0.00 -1.18 -4.79 105.19 102.53 1y7c n GLY 46 Ca 0.03 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1y7c n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y7c s ASP 47 N -4.00 6.91 -0.11 1.61 3.68 -1.26 -4.87 116.67 118.64 1y7c s ASP 47 Ca 0.00 1.02 0.17 0.00 2.13 0.00 0.00 52.55 55.87 1y7c s ASP 47 Cb 0.00 -2.54 0.40 0.00 -1.45 0.00 0.00 42.92 39.33 1y7c s ASP 47 CO 0.00 -0.87 1.19 0.18 0.13 0.00 0.00 175.17 175.79 1y7c n LEU 48 N 6.85 1.83 0.26 -1.34 4.77 -1.26 -4.36 117.00 123.75 1y7c n LEU 48 Ca 0.12 -2.91 0.15 0.00 -0.03 0.00 0.00 56.01 53.33 1y7c n LEU 48 Cb 0.47 -0.27 0.64 0.00 -2.33 0.00 0.00 43.42 41.93 1y7c n LEU 48 CO 0.59 0.93 0.94 0.28 -1.33 0.00 0.00 177.39 178.80 1y7c h SER 49 N 0.91 0.00 -5.16 -1.43 0.02 -1.89 -3.45 113.55 102.55 1y7c h SER 49 Ca -0.10 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 1y7c h SER 49 Cb 1.41 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.79 1y7c h SER 49 CO 0.04 0.08 -0.61 0.42 -1.14 0.00 0.00 176.83 175.63 1y7c s THR 50 N -3.73 0.18 0.17 -2.27 -4.23 -1.26 -5.03 115.64 99.47 1y7c s THR 50 Ca 0.00 -1.45 -0.24 0.00 -1.18 0.00 0.00 61.69 58.82 1y7c s THR 50 Cb 0.10 -1.18 0.06 0.00 1.34 0.00 0.00 72.50 72.82 1y7c s THR 50 CO 0.57 -0.80 1.57 -0.65 -0.54 0.00 0.00 174.62 174.78 1y7c h PRO 51 N 3.42 -0.20 -0.48 3.99 0.11 -1.98 0.20 132.00 137.06 1y7c h PRO 51 Ca -0.33 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.88 1y7c h PRO 51 Cb 1.17 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1y7c h PRO 51 CO 0.58 -0.13 0.03 -0.44 -0.21 0.00 0.00 178.00 177.83 1y7c h ASP 52 N -0.21 -0.13 0.96 -2.05 3.32 -1.97 0.45 116.42 116.78 1y7c h ASP 52 Ca 0.20 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1y7c h ASP 52 Cb 0.56 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 1y7c h ASP 52 CO -0.68 -0.04 -0.11 0.00 -1.72 0.00 0.00 179.24 176.69 1y7c h ALA 53 N 1.41 1.02 0.00 3.45 0.00 -1.63 -0.58 119.26 122.94 1y7c h ALA 53 Ca 0.24 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1y7c h ALA 53 Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1y7c h ALA 53 CO -0.37 0.14 -0.35 0.28 0.00 0.00 0.00 179.25 178.95 1y7c h VAL 54 N 0.00 1.10 0.00 0.00 2.07 0.16 -2.87 116.25 116.71 1y7c h VAL 54 Ca -0.00 -1.95 -0.02 0.00 0.82 0.00 0.00 66.70 65.55 1y7c h VAL 54 Cb 0.62 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1y7c h VAL 54 CO 0.01 0.37 -0.09 0.24 0.02 0.00 0.00 177.57 178.13 1y7c h MET 55 N -1.00 0.00 0.00 1.57 2.86 -0.17 -2.42 114.93 115.77 1y7c h MET 55 Ca -0.09 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.42 1y7c h MET 55 Cb 0.85 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1y7c h MET 55 CO -0.05 0.09 -1.04 0.78 1.06 0.00 0.00 176.91 177.76 1y7c h GLY 56 N 0.38 0.00 -5.86 8.32 0.00 -1.23 -3.47 103.07 101.21 1y7c h GLY 56 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1y7c h GLY 56 CO 0.01 0.00 1.26 0.21 0.00 0.00 0.00 176.54 178.02 1y7c s ASN 57 N -6.01 6.22 0.44 0.19 3.84 -0.91 -4.87 114.94 113.83 1y7c s ASN 57 Ca -0.00 2.25 0.16 0.00 0.21 0.00 0.00 52.86 55.48 1y7c s ASN 57 Cb 0.08 -2.53 1.00 0.00 -0.55 0.00 0.00 41.25 39.26 1y7c s ASN 57 CO 0.78 -1.30 1.96 1.55 -2.79 0.00 0.00 177.10 177.30 1y7c h PRO 58 N 11.60 0.00 -0.11 0.43 0.13 -1.90 -0.57 132.00 141.59 1y7c h PRO 58 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 1y7c h PRO 58 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1y7c h PRO 58 CO 0.96 0.23 -0.42 0.87 -0.23 0.00 0.00 178.00 179.40 1y7c h LYS 59 N 0.00 0.24 0.02 0.86 1.57 -1.89 -1.08 116.57 116.30 1y7c h LYS 59 Ca -0.00 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1y7c h LYS 59 Cb 0.42 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1y7c h LYS 59 CO 0.03 0.63 -0.01 0.28 -0.57 0.00 0.00 179.45 179.81 1y7c h VAL 60 N 0.20 1.45 -1.01 0.50 2.07 -1.76 -0.30 116.25 117.41 1y7c h VAL 60 Ca 0.02 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 65.99 1y7c h VAL 60 Cb 0.83 2.49 -0.06 0.00 -1.52 0.00 0.00 31.29 33.04 1y7c h VAL 60 CO 0.07 0.40 0.66 0.11 0.02 0.00 0.00 177.57 178.83 1y7c h LYS 61 N -0.73 1.27 0.00 1.57 6.56 -1.08 -0.88 116.57 123.28 1y7c h LYS 61 Ca -0.00 -0.08 -0.16 0.00 -1.06 0.00 0.00 60.65 59.35 1y7c h LYS 61 Cb 0.67 -0.29 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 1y7c h LYS 61 CO 0.00 0.84 -0.75 0.00 -2.06 0.00 0.00 179.45 177.48 1y7c h ALA 62 N 1.40 0.59 0.02 3.86 0.00 -1.22 -3.01 119.26 120.90 1y7c h ALA 62 Ca 0.39 -0.68 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 1y7c h ALA 62 Cb -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1y7c h ALA 62 CO -0.11 0.94 -0.93 1.25 0.00 0.00 0.00 179.25 180.39 1y7c h HIS 63 N 0.00 0.35 -0.72 0.00 -0.00 -0.45 -3.10 115.15 111.24 1y7c h HIS 63 Ca -0.01 -0.20 -0.01 0.00 -0.00 0.00 0.00 60.37 60.15 1y7c h HIS 63 Cb 1.48 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 28.82 1y7c h HIS 63 CO 0.00 1.04 0.42 0.78 -0.00 0.00 0.00 177.93 180.17 1y7c h GLY 64 N 1.78 1.05 2.00 5.26 0.00 -1.19 -0.82 103.07 111.15 1y7c h GLY 64 Ca -0.06 -0.44 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 1y7c h GLY 64 CO 0.15 0.42 -0.32 1.70 0.00 0.00 0.00 176.54 178.49 1y7c h LYS 65 N 1.00 0.00 -0.01 4.80 3.64 -1.53 -2.10 116.57 122.37 1y7c h LYS 65 Ca 0.26 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 1y7c h LYS 65 Cb -0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1y7c h LYS 65 CO -0.05 0.32 -0.38 -0.22 -2.27 0.00 0.00 179.45 176.86 1y7c h LYS 66 N 0.00 0.27 0.42 1.90 3.64 -1.35 -2.09 116.57 119.36 1y7c h LYS 66 Ca -0.00 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 1y7c h LYS 66 Cb 1.12 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1y7c h LYS 66 CO 0.04 0.98 -0.20 0.28 -2.27 0.00 0.00 179.45 178.28 1y7c h VAL 67 N -0.34 0.59 0.00 2.00 2.07 -1.19 -2.16 116.25 117.22 1y7c h VAL 67 Ca -0.04 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1y7c h VAL 67 Cb 1.11 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1y7c h VAL 67 CO 0.07 0.02 -0.13 -0.07 0.02 0.00 0.00 177.57 177.48 1y7c h LEU 68 N -0.63 0.00 0.49 2.57 -0.00 -1.50 -0.95 115.31 115.29 1y7c h LEU 68 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.80 1y7c h LEU 68 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.14 1y7c h LEU 68 CO 0.10 0.13 -0.24 1.23 -0.00 0.00 0.00 178.44 179.66 1y7c h GLY 69 N 1.28 -0.69 0.20 0.83 0.00 -1.10 0.27 103.07 103.87 1y7c h GLY 69 Ca -0.00 0.26 0.18 0.00 0.00 0.00 0.00 47.33 47.76 1y7c h GLY 69 CO 0.02 -0.25 0.62 0.00 0.00 0.00 0.00 176.54 176.92 1y7c h ALA 70 N -1.69 1.68 -0.00 3.60 0.00 -1.09 -1.01 119.26 120.75 1y7c h ALA 70 Ca -0.07 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y7c h ALA 70 Cb 0.51 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y7c h ALA 70 CO 0.11 -0.02 0.00 0.35 0.00 0.00 0.00 179.25 179.69 1y7c h PHE 71 N 0.79 0.00 -0.74 0.00 3.57 -0.98 -2.54 116.94 117.05 1y7c h PHE 71 Ca 0.56 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.21 1y7c h PHE 71 Cb 0.84 -0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.47 1y7c h PHE 71 CO -0.00 0.16 0.21 1.03 -2.23 0.00 0.00 178.31 177.48 1y7c h SER 72 N -0.15 0.09 -0.13 0.41 0.87 0.87 -0.36 113.55 115.16 1y7c h SER 72 Ca 0.00 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 1y7c h SER 72 Cb 0.15 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1y7c h SER 72 CO -0.00 0.00 -0.19 0.44 -0.53 0.00 0.00 176.83 176.55 1y7c h ASP 73 N 0.32 0.54 0.43 6.23 3.32 -1.32 -2.34 116.42 123.59 1y7c h ASP 73 Ca 0.41 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 1y7c h ASP 73 Cb 0.69 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1y7c h ASP 73 CO -0.48 0.74 -0.09 1.23 -1.72 0.00 0.00 179.24 178.93 1y7c h GLY 74 N 0.98 0.00 1.43 2.75 0.00 -0.64 -1.36 103.07 106.24 1y7c h GLY 74 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1y7c h GLY 74 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 1y7c n LEU 75 N -3.48 0.00 -0.60 3.11 4.77 -0.88 -1.67 117.00 118.25 1y7c n LEU 75 Ca -0.02 0.22 0.10 0.00 -0.03 0.00 0.00 56.01 56.28 1y7c n LEU 75 Cb 0.23 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1y7c n LEU 75 CO 0.28 -0.07 0.39 0.00 -1.33 0.00 0.00 177.39 176.67 1y7c n ALA 76 N -1.22 3.11 -2.51 -1.18 0.00 -0.51 -4.25 120.51 113.95 1y7c n ALA 76 Ca 0.11 -0.63 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 1y7c n ALA 76 Cb 0.14 -0.73 0.04 0.00 0.00 0.00 0.00 19.45 18.91 1y7c n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y7c n HIS 77 N 0.38 1.80 0.06 0.00 8.25 -0.67 -4.87 115.22 120.17 1y7c n HIS 77 Ca 0.10 -2.14 0.04 0.00 -0.26 0.00 0.00 57.72 55.46 1y7c n HIS 77 Cb 0.47 -0.27 0.21 0.00 1.12 0.00 0.00 29.99 31.51 1y7c n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1y7c n LEU 78 N -0.63 0.20 -1.03 2.41 7.94 -1.17 0.08 117.00 124.80 1y7c n LEU 78 Ca 0.21 0.56 0.10 0.00 -1.11 0.00 0.00 56.01 55.78 1y7c n LEU 78 Cb 0.87 -0.58 0.20 0.00 0.53 0.00 0.00 43.42 44.43 1y7c n LEU 78 CO 0.19 -0.63 0.67 0.47 -1.11 0.00 0.00 177.39 176.98 1y7c n ASP 79 N -1.75 3.28 -2.72 1.96 10.43 -1.26 0.08 116.55 126.57 1y7c n ASP 79 Ca -0.01 -1.94 -0.08 0.00 2.57 0.00 0.00 54.79 55.34 1y7c n ASP 79 Cb 0.06 -0.24 0.09 0.00 1.84 0.00 0.00 41.12 42.87 1y7c n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1y7c n ASN 80 N 1.28 -2.13 -0.02 -2.24 5.15 0.11 -4.54 115.26 112.87 1y7c n ASN 80 Ca 0.17 -3.23 -0.02 0.00 -0.60 0.00 0.00 54.58 50.90 1y7c n ASN 80 Cb 0.55 1.73 0.24 0.00 -0.53 0.00 0.00 39.78 41.78 1y7c n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y7c h LEU 81 N 2.92 0.55 0.01 1.20 3.38 -1.70 -2.56 115.31 119.11 1y7c h LEU 81 Ca -0.15 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1y7c h LEU 81 Cb 1.12 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 1y7c h LEU 81 CO 0.11 0.66 -0.48 0.50 0.09 0.00 0.00 178.44 179.32 1y7c h LYS 82 N 0.54 -0.61 -0.04 1.13 1.63 -1.89 0.17 116.57 117.49 1y7c h LYS 82 Ca 0.11 0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.86 1y7c h LYS 82 Cb 0.43 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 1y7c h LYS 82 CO 0.02 -0.41 -0.37 0.78 -3.45 0.00 0.00 179.45 176.02 1y7c h GLY 83 N -0.64 0.10 1.18 5.01 0.00 -1.95 -1.55 103.07 105.22 1y7c h GLY 83 Ca 0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1y7c h GLY 83 CO -0.33 0.08 -0.07 -0.84 0.00 0.00 0.00 176.54 175.37 1y7c h THR 84 N 0.08 1.26 -0.62 4.70 2.02 -0.92 -3.24 112.91 116.19 1y7c h THR 84 Ca 0.01 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.99 1y7c h THR 84 Cb 0.70 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1y7c h THR 84 CO 0.05 0.42 0.00 0.49 0.37 0.00 0.00 175.52 176.86 1y7c n PHE 85 N -4.16 0.82 -0.05 3.16 3.01 0.53 -4.66 117.46 116.11 1y7c n PHE 85 Ca 0.02 -0.47 -0.08 0.00 1.01 0.00 0.00 57.45 57.93 1y7c n PHE 85 Cb 0.37 -0.01 -0.01 0.00 -0.01 0.00 0.00 39.48 39.82 1y7c n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y7c h ALA 86 N 3.86 -0.02 -0.72 4.37 0.00 -1.32 0.34 119.26 125.77 1y7c h ALA 86 Ca 0.00 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1y7c h ALA 86 Cb 0.94 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1y7c h ALA 86 CO 0.00 -0.60 0.22 1.15 0.00 0.00 0.00 179.25 180.02 1y7c h THR 87 N -0.17 1.26 -0.11 0.00 2.02 -1.85 -1.35 112.91 112.70 1y7c h THR 87 Ca 0.14 -0.90 -0.15 0.00 0.77 0.00 0.00 66.41 66.27 1y7c h THR 87 Cb 0.38 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1y7c h THR 87 CO -0.35 0.35 -0.57 0.25 0.37 0.00 0.00 175.52 175.58 1y7c h LEU 88 N 1.06 0.39 -0.35 2.58 5.85 -1.79 -2.11 115.31 120.94 1y7c h LEU 88 Ca 0.23 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 1y7c h LEU 88 Cb 0.31 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1y7c h LEU 88 CO -0.01 0.87 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.59 1y7c h SER 89 N 0.27 0.70 -0.39 1.25 0.87 0.16 -1.65 113.55 114.75 1y7c h SER 89 Ca 0.00 -0.37 -0.11 0.00 -1.23 0.00 0.00 61.79 60.08 1y7c h SER 89 Cb 1.07 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.82 1y7c h SER 89 CO 0.09 0.91 -0.17 -0.33 -0.53 0.00 0.00 176.83 176.81 1y7c h GLU 90 N 0.48 0.87 0.01 2.24 5.08 -1.26 -2.56 114.58 119.45 1y7c h GLU 90 Ca 0.09 -0.33 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1y7c h GLU 90 Cb 0.61 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1y7c h GLU 90 CO 0.04 0.97 -0.08 1.25 -1.00 0.00 0.00 179.01 180.19 1y7c h LEU 91 N 0.77 -0.22 -1.42 1.33 5.85 -1.16 0.66 115.31 121.12 1y7c h LEU 91 Ca 0.11 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1y7c h LEU 91 Cb 0.70 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1y7c h LEU 91 CO 0.05 -0.12 0.16 0.45 -0.34 0.00 0.00 178.44 178.65 1y7c h HIS 92 N -0.14 0.55 0.04 1.25 3.86 -1.25 0.68 115.15 120.12 1y7c h HIS 92 Ca 0.03 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1y7c h HIS 92 Cb 0.17 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1y7c h HIS 92 CO -0.14 0.43 -0.02 0.00 0.86 0.00 0.00 177.93 179.07 1y7c h ASP 94 N -0.48 0.00 0.00 0.00 3.32 -0.95 -2.99 116.42 115.32 1y7c h ASP 94 Ca -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1y7c h ASP 94 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1y7c h ASP 94 CO 0.01 0.43 -1.58 0.29 -1.72 0.00 0.00 179.24 176.67 1y7c n LYS 95 N -3.45 0.23 0.12 3.56 4.01 0.07 -4.81 118.16 117.90 1y7c n LYS 95 Ca 0.00 0.10 0.06 0.00 -0.51 0.00 0.00 58.31 57.96 1y7c n LYS 95 Cb 0.58 -0.88 0.02 0.00 -0.51 0.00 0.00 35.03 34.24 1y7c n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y7c h LEU 96 N -0.39 0.00 -1.37 -0.35 3.38 -1.20 -3.49 115.31 111.88 1y7c h LEU 96 Ca -0.27 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.26 1y7c h LEU 96 Cb 1.22 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.00 1y7c h LEU 96 CO -0.16 0.32 -0.79 1.41 0.09 0.00 0.00 178.44 179.31 1y7c n HIS 97 N -3.01 -2.17 -3.37 1.13 8.25 0.12 -4.96 115.22 111.22 1y7c n HIS 97 Ca -0.01 0.89 -0.38 0.00 -0.26 0.00 0.00 57.72 57.96 1y7c n HIS 97 Cb 0.68 -4.31 -0.06 0.00 1.12 0.00 0.00 29.99 27.41 1y7c n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y7c s VAL 98 N -3.48 5.21 0.16 1.59 1.01 -0.46 -5.03 120.40 119.40 1y7c s VAL 98 Ca 0.32 0.83 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 1y7c s VAL 98 Cb -0.16 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 1y7c s VAL 98 CO 0.81 0.32 1.37 -0.62 0.00 0.00 0.00 175.10 176.97 1y7c s ASP 99 N 0.70 6.83 0.66 3.32 3.68 -1.26 -4.73 116.67 125.87 1y7c s ASP 99 Ca 0.23 2.39 0.38 0.00 2.13 0.00 0.00 52.55 57.68 1y7c s ASP 99 Cb -0.15 -2.60 2.08 0.00 -1.45 0.00 0.00 42.92 40.81 1y7c s ASP 99 CO 0.08 -0.62 2.17 0.00 0.13 0.00 0.00 175.17 176.94 1y7c h ALA 100 N 6.14 1.14 0.00 3.66 0.00 -1.97 0.16 119.26 128.40 1y7c h ALA 100 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1y7c h ALA 100 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1y7c h ALA 100 CO 0.83 -0.14 -0.09 1.49 0.00 0.00 0.00 179.25 181.34 1y7c h GLU 101 N 0.00 0.00 -0.03 0.00 4.57 -1.98 -1.41 114.58 115.73 1y7c h GLU 101 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1y7c h GLU 101 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1y7c h GLU 101 CO 0.00 0.09 -0.10 -0.91 -1.18 0.00 0.00 179.01 176.90 1y7c h ASN 102 N 0.00 0.04 -0.49 1.04 -0.26 -1.04 -2.04 115.58 112.83 1y7c h ASN 102 Ca -0.00 -0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1y7c h ASN 102 Cb 0.22 -0.01 -0.03 0.00 -1.06 0.00 0.00 38.32 37.44 1y7c h ASN 102 CO 0.01 0.15 0.22 -0.26 -1.06 0.00 0.00 177.43 176.49 1y7c h PHE 103 N 0.04 0.77 0.00 1.19 0.04 -1.43 -1.00 116.94 116.56 1y7c h PHE 103 Ca 0.01 -0.04 -0.27 0.00 2.80 0.00 0.00 57.97 60.48 1y7c h PHE 103 Cb 0.21 -0.24 0.02 0.00 2.20 0.00 0.00 35.95 38.14 1y7c h PHE 103 CO 0.00 0.60 -1.04 0.00 -0.60 0.00 0.00 178.31 177.27 1y7c h ARG 104 N 0.76 0.70 0.02 1.51 3.08 -1.49 -2.82 114.38 116.14 1y7c h ARG 104 Ca 0.18 -0.76 -0.00 0.00 0.07 0.00 0.00 59.98 59.48 1y7c h ARG 104 Cb 0.15 0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1y7c h ARG 104 CO -0.02 1.33 -0.02 -0.07 -1.07 0.00 0.00 179.97 180.12 1y7c h LEU 105 N 0.38 -0.04 -0.36 3.04 3.38 -0.86 -2.71 115.31 118.14 1y7c h LEU 105 Ca -0.13 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.91 1y7c h LEU 105 Cb 1.70 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.40 1y7c h LEU 105 CO 0.20 -0.03 -0.02 0.25 0.09 0.00 0.00 178.44 178.93 1y7c h LEU 106 N -0.04 -0.19 -0.57 1.67 5.85 -1.26 -2.00 115.31 118.76 1y7c h LEU 106 Ca -0.00 0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.92 1y7c h LEU 106 Cb 0.04 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.15 1y7c h LEU 106 CO 0.00 -0.06 0.07 1.23 -0.34 0.00 0.00 178.44 179.34 1y7c h GLY 107 N 0.07 0.68 1.15 3.75 0.00 -1.42 0.87 103.07 108.18 1y7c h GLY 107 Ca 0.18 0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1y7c h GLY 107 CO -0.31 -0.14 0.26 3.43 0.00 0.00 0.00 176.54 179.78 1y7c h ASN 108 N 0.19 0.99 -0.07 0.19 2.35 -1.11 -1.07 115.58 117.06 1y7c h ASN 108 Ca 0.30 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1y7c h ASN 108 Cb 0.45 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1y7c h ASN 108 CO -0.43 0.90 0.03 0.58 -1.65 0.00 0.00 177.43 176.87 1y7c h VAL 109 N 1.04 1.09 -0.53 2.81 2.07 -0.26 -2.07 116.25 120.41 1y7c h VAL 109 Ca 0.24 -0.27 0.10 0.00 0.82 0.00 0.00 66.70 67.58 1y7c h VAL 109 Cb 0.24 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 1y7c h VAL 109 CO -0.02 0.08 0.10 0.25 0.02 0.00 0.00 177.57 178.00 1y7c h LEU 110 N -0.00 -0.03 -1.22 2.57 5.85 0.12 0.69 115.31 123.30 1y7c h LEU 110 Ca 0.02 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1y7c h LEU 110 Cb 0.10 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1y7c h LEU 110 CO -0.00 0.01 0.54 0.58 -0.34 0.00 0.00 178.44 179.23 1y7c h VAL 111 N 0.23 1.14 -0.32 1.05 2.07 -1.00 0.73 116.25 120.15 1y7c h VAL 111 Ca 0.27 -0.35 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1y7c h VAL 111 Cb 0.39 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1y7c h VAL 111 CO -0.37 0.19 -0.30 0.00 0.02 0.00 0.00 177.57 177.11 1y7c h VAL 113 N 0.57 1.24 -0.74 0.00 2.07 0.41 -1.57 116.25 118.23 1y7c h VAL 113 Ca 0.07 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.77 1y7c h VAL 113 Cb 0.80 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1y7c h VAL 113 CO 0.07 0.25 0.47 -0.07 0.02 0.00 0.00 177.57 178.30 1y7c h LEU 114 N 0.07 0.87 -0.49 2.57 3.38 -0.85 -1.45 115.31 119.42 1y7c h LEU 114 Ca 0.05 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1y7c h LEU 114 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1y7c h LEU 114 CO 0.01 0.66 0.03 0.00 0.09 0.00 0.00 178.44 179.22 1y7c h ALA 115 N 1.50 0.65 -0.20 1.53 0.00 -1.07 -1.99 119.26 119.69 1y7c h ALA 115 Ca 0.27 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1y7c h ALA 115 Cb -0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 1y7c h ALA 115 CO -0.05 0.44 -0.21 1.25 0.00 0.00 0.00 179.25 180.68 1y7c h HIS 116 N 0.71 -0.54 0.25 0.00 -0.00 -0.28 -1.27 115.15 114.02 1y7c h HIS 116 Ca 0.14 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1y7c h HIS 116 Cb 0.47 0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 1y7c h HIS 116 CO 0.04 -0.28 -0.12 0.45 -0.00 0.00 0.00 177.93 178.01 1y7c h HIS 117 N -0.23 -0.31 -0.01 5.26 -0.00 -1.34 -3.35 115.15 115.18 1y7c h HIS 117 Ca 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 1y7c h HIS 117 Cb 0.41 0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 1y7c h HIS 117 CO -0.35 0.02 -0.28 1.19 -0.00 0.00 0.00 177.93 178.51 1y7c n PHE 118 N -5.10 0.00 0.00 2.45 3.01 -0.75 -5.01 117.46 112.06 1y7c n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1y7c n PHE 118 Cb 0.24 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1y7c n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y7c n GLY 119 N 1.35 2.02 0.33 1.37 0.00 -0.48 -0.31 105.19 109.47 1y7c n GLY 119 Ca 0.12 0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.55 1y7c n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y7c h LYS 120 N 0.00 0.06 -0.18 1.61 2.10 -1.95 -1.14 116.57 117.07 1y7c h LYS 120 Ca 0.00 -0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 1y7c h LYS 120 Cb 0.00 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.31 1y7c h LYS 120 CO 0.00 0.04 0.18 1.49 -2.00 0.00 0.00 179.45 179.16 1y7c h GLU 121 N 0.06 0.00 -3.55 0.07 4.81 -1.06 -3.29 114.58 111.62 1y7c h GLU 121 Ca 0.59 0.00 -0.78 0.00 -0.13 0.00 0.00 59.36 59.05 1y7c h GLU 121 Cb 1.25 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.42 1y7c h GLU 121 CO -0.82 0.00 1.32 0.34 -0.73 0.00 0.00 179.01 179.12 1y7c n PHE 122 N -3.93 3.39 -1.93 0.92 7.35 -0.43 -4.94 117.46 117.87 1y7c n PHE 122 Ca 0.01 -2.97 -0.32 0.00 -0.76 0.00 0.00 57.45 53.41 1y7c n PHE 122 Cb 0.30 -1.74 0.02 0.00 0.35 0.00 0.00 39.48 38.41 1y7c n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y7c s THR 123 N -0.62 4.02 0.25 -2.13 -4.23 -1.24 -4.72 115.64 106.97 1y7c s THR 123 Ca 0.36 0.84 -0.06 0.00 -1.18 0.00 0.00 61.69 61.66 1y7c s THR 123 Cb 0.03 -3.46 0.29 0.00 1.34 0.00 0.00 72.50 70.71 1y7c s THR 123 CO 0.02 -0.67 1.64 -0.65 -0.54 0.00 0.00 174.62 174.42 1y7c h PRO 124 N 0.10 0.11 -0.71 3.99 0.11 -1.95 1.07 132.00 134.72 1y7c h PRO 124 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1y7c h PRO 124 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1y7c h PRO 124 CO 0.58 0.07 0.34 -1.35 -0.21 0.00 0.00 178.00 177.43 1y7c h PRO 125 N 0.12 1.01 -0.10 1.05 0.11 -1.99 0.48 132.00 132.68 1y7c h PRO 125 Ca 0.43 -0.14 -0.20 0.00 0.11 0.00 0.00 66.00 66.20 1y7c h PRO 125 Cb 0.78 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.71 1y7c h PRO 125 CO -0.67 0.78 -0.72 0.28 -0.21 0.00 0.00 178.00 177.46 1y7c h VAL 126 N 1.01 1.32 -0.67 3.15 2.07 -0.90 -2.88 116.25 119.35 1y7c h VAL 126 Ca 0.25 -1.98 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1y7c h VAL 126 Cb 0.11 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1y7c h VAL 126 CO -0.03 0.61 0.42 -0.61 0.02 0.00 0.00 177.57 177.98 1y7c h GLN 127 N 0.32 0.89 -0.69 1.57 4.15 0.14 -2.49 115.11 119.01 1y7c h GLN 127 Ca -0.06 -0.07 0.12 0.00 0.77 0.00 0.00 58.65 59.40 1y7c h GLN 127 Cb 1.37 -0.19 -0.08 0.00 0.21 0.00 0.00 27.48 28.78 1y7c h GLN 127 CO 0.15 0.62 0.27 0.00 -1.93 0.00 0.00 178.83 177.94 1y7c h ALA 128 N 1.22 0.93 -0.27 3.38 0.00 0.09 -0.26 119.26 124.34 1y7c h ALA 128 Ca 0.24 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1y7c h ALA 128 Cb -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1y7c h ALA 128 CO -0.05 -0.19 -0.25 0.00 0.00 0.00 0.00 179.25 178.77 1y7c h ALA 129 N 1.48 1.07 -0.07 0.00 0.00 -1.29 -2.91 119.26 117.55 1y7c h ALA 129 Ca 0.36 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1y7c h ALA 129 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1y7c h ALA 129 CO -0.35 0.57 -0.60 1.88 0.00 0.00 0.00 179.25 180.74 1y7c h TYR 130 N 0.46 0.29 -0.70 0.00 0.05 -0.96 -2.43 116.97 113.68 1y7c h TYR 130 Ca 0.07 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.70 1y7c h TYR 130 Cb 0.68 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 1y7c h TYR 130 CO 0.02 0.77 0.28 1.96 -1.05 0.00 0.00 178.16 180.14 1y7c h GLN 131 N 0.17 1.03 -0.26 4.88 1.08 -0.88 0.22 115.11 121.35 1y7c h GLN 131 Ca -0.01 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 56.92 1y7c h GLN 131 Cb 1.10 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.34 1y7c h GLN 131 CO 0.09 0.84 -0.28 0.87 -0.95 0.00 0.00 178.83 179.40 1y7c h LYS 132 N 1.01 0.52 -0.04 1.46 1.57 -1.35 -2.16 116.57 117.58 1y7c h LYS 132 Ca 0.24 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1y7c h LYS 132 Cb 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1y7c h LYS 132 CO -0.02 0.75 -0.26 0.28 -0.57 0.00 0.00 179.45 179.63 1y7c h VAL 133 N 0.46 1.47 -0.61 0.50 2.07 -0.88 -1.69 116.25 117.55 1y7c h VAL 133 Ca 0.06 -1.75 0.01 0.00 0.82 0.00 0.00 66.70 65.85 1y7c h VAL 133 Cb 0.72 2.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.92 1y7c h VAL 133 CO 0.06 0.49 0.40 -0.37 0.02 0.00 0.00 177.57 178.17 1y7c h VAL 134 N -0.31 1.14 0.01 2.57 -1.51 -0.55 0.23 116.25 117.82 1y7c h VAL 134 Ca -0.02 -0.28 0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1y7c h VAL 134 Cb 0.93 0.26 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1y7c h VAL 134 CO 0.05 0.15 -0.06 0.00 -1.23 0.00 0.00 177.57 176.48 1y7c h ALA 135 N 1.23 -0.07 -0.91 5.19 0.00 -1.44 -0.02 119.26 123.24 1y7c h ALA 135 Ca 0.23 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1y7c h ALA 135 Cb -0.08 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1y7c h ALA 135 CO -0.06 -0.56 0.59 0.78 0.00 0.00 0.00 179.25 180.00 1y7c h GLY 136 N -0.11 1.32 0.86 0.00 0.00 -0.80 -0.02 103.07 104.31 1y7c h GLY 136 Ca 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 1y7c h GLY 136 CO -0.06 0.39 0.04 -2.08 0.00 0.00 0.00 176.54 174.83 1y7c h VAL 137 N 1.15 1.23 -0.90 4.60 2.07 -0.02 0.18 116.25 124.56 1y7c h VAL 137 Ca 0.36 -0.76 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1y7c h VAL 137 Cb -0.01 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1y7c h VAL 137 CO -0.11 0.24 0.56 0.00 0.02 0.00 0.00 177.57 178.28 1y7c h ALA 138 N 0.85 1.26 -0.27 1.67 0.00 -0.66 0.24 119.26 122.35 1y7c h ALA 138 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1y7c h ALA 138 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1y7c h ALA 138 CO 0.00 0.29 0.07 -0.91 0.00 0.00 0.00 179.25 178.70 1y7c h ASN 139 N 1.00 0.42 -0.75 0.00 2.35 -0.68 -1.20 115.58 116.71 1y7c h ASN 139 Ca 0.40 -0.23 -0.06 0.00 -0.55 0.00 0.00 56.30 55.86 1y7c h ASN 139 Cb 0.22 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 1y7c h ASN 139 CO -0.19 0.54 0.24 0.00 -1.65 0.00 0.00 177.43 176.37 1y7c h ALA 140 N 0.89 0.98 -0.09 -0.83 0.00 0.12 -0.74 119.26 119.59 1y7c h ALA 140 Ca 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1y7c h ALA 140 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1y7c h ALA 140 CO 0.00 0.66 -0.22 -0.07 0.00 0.00 0.00 179.25 179.63 1y7c h LEU 141 N 1.11 0.15 0.00 0.00 3.38 -0.37 -2.98 115.31 116.60 1y7c h LEU 141 Ca 0.24 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1y7c h LEU 141 Cb 0.31 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1y7c h LEU 141 CO -0.01 0.37 -0.73 0.00 0.09 0.00 0.00 178.44 178.16 1y7c n ALA 142 N -2.49 3.18 -0.33 1.53 0.00 -0.47 -4.31 120.51 117.61 1y7c n ALA 142 Ca -0.01 -0.31 0.22 0.00 0.00 0.00 0.00 53.44 53.33 1y7c n ALA 142 Cb 0.31 -1.10 0.45 0.00 0.00 0.00 0.00 19.45 19.11 1y7c n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y7c h HIS 143 N 0.00 0.92 -0.60 0.00 6.17 -0.98 -2.02 115.15 118.65 1y7c h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1y7c h HIS 143 Cb 0.70 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.39 1y7c h HIS 143 CO 0.00 -0.13 0.00 1.63 0.71 0.00 0.00 177.93 180.14 1y7c n LYS 144 N -5.03 3.08 -2.33 5.26 4.76 -1.26 -4.96 118.16 117.69 1y7c n LYS 144 Ca 0.30 -2.44 -0.40 0.00 -2.87 0.00 0.00 58.31 52.91 1y7c n LYS 144 Cb 0.92 -1.71 -0.03 0.00 -1.84 0.00 0.00 35.03 32.37 1y7c n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y7c s TYR 145 N -1.58 3.27 0.00 2.13 2.02 -0.76 -4.76 117.35 117.67 1y7c s TYR 145 Ca 0.44 1.58 0.00 0.00 -0.37 0.00 0.00 57.07 58.72 1y7c s TYR 145 Cb 0.27 -3.41 0.00 0.00 -0.40 0.00 0.00 41.96 38.41 1y7c s TYR 145 CO 0.24 -1.13 0.00 -2.39 -1.57 0.00 0.00 175.55 170.70