#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7c s HIS 2 N 0.00 2.93 0.17 1.12 5.04 -1.26 -4.36 115.29 118.93 1c7c s HIS 2 Ca 0.00 -0.89 0.05 0.00 -1.54 0.00 0.00 55.06 52.68 1c7c s HIS 2 Cb 0.00 -4.08 -0.04 0.00 0.04 0.00 0.00 32.58 28.50 1c7c s HIS 2 CO 0.00 -1.37 0.17 -0.51 -2.34 0.00 0.00 174.74 170.69 1c7c s LEU 3 N 2.96 3.91 0.74 8.88 1.43 -1.26 -5.11 118.68 130.22 1c7c s LEU 3 Ca 0.14 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1c7c s LEU 3 Cb -0.22 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.53 1c7c s LEU 3 CO 0.07 0.05 1.08 0.42 0.23 0.00 0.00 176.35 178.20 1c7c s THR 4 N -1.79 3.55 0.47 5.49 -4.23 -1.26 -4.81 115.64 113.05 1c7c s THR 4 Ca 0.32 0.52 0.15 0.00 -1.18 0.00 0.00 61.69 61.50 1c7c s THR 4 Cb -0.10 -3.09 0.31 0.00 1.34 0.00 0.00 72.50 70.96 1c7c s THR 4 CO 0.25 -0.64 2.04 -0.65 -0.54 0.00 0.00 174.62 175.08 1c7c h PRO 5 N -0.88 0.26 -0.56 3.99 0.11 -1.99 -0.49 132.00 132.42 1c7c h PRO 5 Ca -0.44 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 1c7c h PRO 5 Cb 1.23 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1c7c h PRO 5 CO 0.53 0.17 0.20 0.93 -0.21 0.00 0.00 178.00 179.62 1c7c h GLU 6 N 0.26 0.86 -0.45 1.05 3.07 -2.00 -1.80 114.58 115.57 1c7c h GLU 6 Ca 0.17 -0.17 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 1c7c h GLU 6 Cb 0.35 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1c7c h GLU 6 CO -0.03 0.77 -0.19 0.93 -1.40 0.00 0.00 179.01 179.08 1c7c h GLU 7 N 0.78 0.93 -0.39 2.33 5.08 -1.66 -2.42 114.58 119.23 1c7c h GLU 7 Ca 0.18 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1c7c h GLU 7 Cb 0.25 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1c7c h GLU 7 CO -0.01 1.06 0.26 0.87 -1.00 0.00 0.00 179.01 180.18 1c7c h LYS 8 N 0.77 0.52 -0.57 2.33 1.57 -0.97 -1.52 116.57 118.71 1c7c h LYS 8 Ca 0.10 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1c7c h LYS 8 Cb 0.76 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1c7c h LYS 8 CO 0.06 0.35 0.10 0.77 -0.57 0.00 0.00 179.45 180.16 1c7c h SER 9 N 0.53 0.86 -0.59 0.86 0.02 -1.24 -0.82 113.55 113.16 1c7c h SER 9 Ca 0.14 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 1c7c h SER 9 Cb -0.05 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1c7c h SER 9 CO -0.03 0.86 0.16 0.00 -1.14 0.00 0.00 176.83 176.68 1c7c h ALA 10 N 1.24 0.78 -0.02 3.77 0.00 -1.18 0.28 119.26 124.14 1c7c h ALA 10 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1c7c h ALA 10 Cb 0.37 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1c7c h ALA 10 CO 0.01 0.47 0.00 0.28 0.00 0.00 0.00 179.25 180.01 1c7c h VAL 11 N 0.85 1.20 -0.39 0.00 2.07 -1.01 -2.87 116.25 116.11 1c7c h VAL 11 Ca 0.19 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1c7c h VAL 11 Cb 0.33 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1c7c h VAL 11 CO -0.00 0.16 0.25 0.74 0.02 0.00 0.00 177.57 178.73 1c7c h THR 12 N -0.22 1.11 -0.52 2.57 2.02 -1.04 -2.02 112.91 114.82 1c7c h THR 12 Ca 0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1c7c h THR 12 Cb 0.25 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1c7c h THR 12 CO 0.00 0.11 0.24 0.00 0.37 0.00 0.00 175.52 176.25 1c7c h ALA 13 N 1.12 0.67 -0.37 6.16 0.00 -0.46 -2.68 119.26 123.71 1c7c h ALA 13 Ca 0.14 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1c7c h ALA 13 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1c7c h ALA 13 CO -0.03 0.24 -0.35 1.25 0.00 0.00 0.00 179.25 180.36 1c7c h LEU 14 N 0.70 0.90 -1.92 0.00 5.85 -1.42 -3.12 115.31 116.30 1c7c h LEU 14 Ca 0.18 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1c7c h LEU 14 Cb 0.13 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1c7c h LEU 14 CO -0.02 1.16 -0.08 -0.25 -0.34 0.00 0.00 178.44 178.91 1c7c h TRP 15 N 0.71 0.00 0.00 1.25 2.91 -1.09 -0.70 115.95 119.02 1c7c h TRP 15 Ca 0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1c7c h TRP 15 Cb 0.92 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 1c7c h TRP 15 CO 0.05 0.08 0.00 0.41 -1.03 0.00 0.00 178.44 177.95 1c7c n GLY 16 N -0.49 -1.15 0.83 2.65 0.00 -1.04 -2.20 105.19 103.80 1c7c n GLY 16 Ca -0.01 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.22 1c7c n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1c7c n LYS 17 N -2.19 1.99 -3.16 1.61 5.02 -0.27 -4.97 118.16 116.19 1c7c n LYS 17 Ca 0.01 -1.70 -0.39 0.00 -2.02 0.00 0.00 58.31 54.22 1c7c n LYS 17 Cb 0.17 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 1c7c n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1c7c s VAL 18 N -1.96 4.99 -0.62 -0.18 1.01 -0.93 -5.02 120.40 117.69 1c7c s VAL 18 Ca 0.25 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 1c7c s VAL 18 Cb 0.18 -3.95 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1c7c s VAL 18 CO 0.32 0.35 1.01 0.21 0.00 0.00 0.00 175.10 177.00 1c7c s ASN 19 N 0.25 6.25 0.21 3.32 3.84 -1.26 -4.91 114.94 122.64 1c7c s ASN 19 Ca 0.32 -0.59 -0.10 0.00 0.21 0.00 0.00 52.86 52.71 1c7c s ASN 19 Cb -0.18 -2.45 0.18 0.00 -0.55 0.00 0.00 41.25 38.26 1c7c s ASN 19 CO 0.17 -1.41 1.85 0.58 -2.79 0.00 0.00 177.10 175.49 1c7c h VAL 20 N 6.01 1.11 -0.45 -5.21 2.07 -1.95 0.09 116.25 117.92 1c7c h VAL 20 Ca -0.27 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.86 1c7c h VAL 20 Cb 1.07 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1c7c h VAL 20 CO 1.16 0.16 -0.08 0.44 0.02 0.00 0.00 177.57 179.27 1c7c h ASP 21 N 0.88 0.78 -0.08 0.57 5.19 -1.91 0.11 116.42 121.96 1c7c h ASP 21 Ca 0.28 -0.22 -0.20 0.00 -0.62 0.00 0.00 57.03 56.27 1c7c h ASP 21 Cb 0.00 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 39.32 1c7c h ASP 21 CO -0.10 0.89 -0.75 -0.08 -3.12 0.00 0.00 179.24 176.08 1c7c h GLU 22 N 0.72 0.64 -0.07 3.56 4.81 -1.83 -2.63 114.58 119.79 1c7c h GLU 22 Ca 0.13 -0.59 -0.14 0.00 -0.13 0.00 0.00 59.36 58.63 1c7c h GLU 22 Cb 0.56 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1c7c h GLU 22 CO 0.03 1.20 -0.57 0.28 -0.73 0.00 0.00 179.01 179.22 1c7c h VAL 23 N 0.29 1.38 -0.29 0.32 2.07 -0.93 -1.84 116.25 117.25 1c7c h VAL 23 Ca -0.07 -1.92 -0.04 0.00 0.82 0.00 0.00 66.70 65.49 1c7c h VAL 23 Cb 1.40 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1c7c h VAL 23 CO 0.15 0.57 0.01 1.23 0.02 0.00 0.00 177.57 179.55 1c7c h GLY 24 N 1.46 0.54 1.06 2.17 0.00 -0.80 0.78 103.07 108.28 1c7c h GLY 24 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1c7c h GLY 24 CO 0.09 0.36 0.33 -1.33 0.00 0.00 0.00 176.54 175.98 1c7c h GLY 25 N 0.30 1.28 0.85 4.60 0.00 -1.40 -1.58 103.07 107.12 1c7c h GLY 25 Ca 0.08 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1c7c h GLY 25 CO 0.01 0.65 0.02 -2.09 0.00 0.00 0.00 176.54 175.13 1c7c h GLU 26 N 1.17 0.40 -0.38 4.80 4.81 -1.19 -1.04 114.58 123.14 1c7c h GLU 26 Ca 0.27 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1c7c h GLU 26 Cb 0.21 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1c7c h GLU 26 CO -0.02 0.56 0.11 0.00 -0.73 0.00 0.00 179.01 178.93 1c7c h ALA 27 N 0.82 0.51 -0.30 2.92 0.00 -0.73 -0.76 119.26 121.72 1c7c h ALA 27 Ca 0.07 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1c7c h ALA 27 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1c7c h ALA 27 CO 0.01 0.16 -0.41 1.25 0.00 0.00 0.00 179.25 180.26 1c7c h LEU 28 N 0.48 0.78 -0.48 0.00 5.85 -1.28 -1.36 115.31 119.28 1c7c h LEU 28 Ca 0.12 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1c7c h LEU 28 Cb 0.28 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1c7c h LEU 28 CO -0.00 1.09 0.10 1.23 -0.34 0.00 0.00 178.44 180.52 1c7c h GLY 29 N 0.94 0.84 1.57 3.75 0.00 -1.02 -2.22 103.07 106.92 1c7c h GLY 29 Ca 0.05 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.78 1c7c h GLY 29 CO 0.09 0.50 -0.04 3.21 0.00 0.00 0.00 176.54 180.30 1c7c h ARG 30 N 0.66 0.54 -0.32 4.80 3.08 -1.08 -1.03 114.38 121.03 1c7c h ARG 30 Ca 0.15 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.12 1c7c h ARG 30 Cb 0.35 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1c7c h ARG 30 CO 0.00 0.59 0.06 1.25 -1.07 0.00 0.00 179.97 180.81 1c7c h LEU 31 N 0.51 0.01 -1.36 3.04 5.85 -0.92 0.17 115.31 122.61 1c7c h LEU 31 Ca 0.10 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1c7c h LEU 31 Cb 0.39 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1c7c h LEU 31 CO 0.02 0.04 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.80 1c7c h LEU 32 N 0.17 0.00 0.13 2.25 3.38 -0.95 -1.43 115.31 118.87 1c7c h LEU 32 Ca 0.15 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.90 1c7c h LEU 32 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1c7c h LEU 32 CO -0.19 0.29 -0.99 0.58 0.09 0.00 0.00 178.44 178.21 1c7c h VAL 33 N 0.00 1.37 0.10 1.22 2.07 -0.81 -3.31 116.25 116.89 1c7c h VAL 33 Ca -0.00 -2.50 -0.26 0.00 0.82 0.00 0.00 66.70 64.76 1c7c h VAL 33 Cb 0.62 3.05 -0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1c7c h VAL 33 CO 0.04 0.71 -1.17 0.58 0.02 0.00 0.00 177.57 177.74 1c7c h VAL 34 N -0.36 1.52 -2.48 2.57 2.07 -0.64 -3.37 116.25 115.57 1c7c h VAL 34 Ca -0.19 -3.05 -0.60 0.00 0.82 0.00 0.00 66.70 63.68 1c7c h VAL 34 Cb 1.67 2.87 -0.41 0.00 -1.52 0.00 0.00 31.29 33.91 1c7c h VAL 34 CO 0.12 0.89 -0.71 -1.22 0.02 0.00 0.00 177.57 176.67 1c7c n TYR 35 N -3.53 2.38 0.27 1.57 4.01 -0.54 -4.98 117.16 116.34 1c7c n TYR 35 Ca -0.07 -4.02 0.16 0.00 -0.16 0.00 0.00 57.90 53.81 1c7c n TYR 35 Cb 0.99 -0.45 0.79 0.00 -0.31 0.00 0.00 39.34 40.36 1c7c n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1c7c h PRO 36 N 4.72 0.00 0.00 -0.72 0.13 -1.74 -1.53 132.00 132.86 1c7c h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1c7c h PRO 36 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1c7c h PRO 36 CO 0.69 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.57 1c7c h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.19 115.95 114.51 1c7c h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1c7c h TRP 37 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.37 1c7c h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1c7c n THR 38 N -2.61 0.71 0.47 0.12 -2.24 -0.58 -2.37 114.28 107.78 1c7c n THR 38 Ca 0.01 0.18 0.06 0.00 -2.27 0.00 0.00 64.05 62.03 1c7c n THR 38 Cb 0.23 -0.89 0.28 0.00 -2.10 0.00 0.00 70.33 67.86 1c7c n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c7c n GLN 39 N -1.43 0.02 0.28 -0.78 6.02 -0.45 -3.57 117.38 117.47 1c7c n GLN 39 Ca 0.06 0.26 0.18 0.00 -0.01 0.00 0.00 57.00 57.49 1c7c n GLN 39 Cb 0.18 -1.50 0.95 0.00 1.02 0.00 0.00 30.24 30.89 1c7c n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1c7c h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.69 -1.31 114.38 110.40 1c7c h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1c7c h ARG 40 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1c7c h ARG 40 CO 0.00 0.00 -0.46 1.19 0.10 0.00 0.00 179.97 180.80 1c7c n PHE 41 N -3.40 0.00 -1.16 4.08 3.72 -1.23 -4.45 117.46 115.01 1c7c n PHE 41 Ca -0.01 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1c7c n PHE 41 Cb 0.24 -0.21 0.10 0.00 -0.94 0.00 0.00 39.48 38.68 1c7c n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1c7c n PHE 42 N -1.29 0.00 0.30 1.38 3.72 -0.49 -4.70 117.46 116.37 1c7c n PHE 42 Ca 0.07 -0.78 0.20 0.00 -0.05 0.00 0.00 57.45 56.90 1c7c n PHE 42 Cb 0.34 -0.12 1.07 0.00 -0.94 0.00 0.00 39.48 39.83 1c7c n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1c7c h GLU 43 N 0.00 0.00 -0.00 -1.08 3.07 -1.78 0.73 114.58 115.52 1c7c h GLU 43 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1c7c h GLU 43 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 1c7c h GLU 43 CO 0.00 0.00 -0.04 -1.13 -1.40 0.00 0.00 179.01 176.44 1c7c n SER 44 N -2.88 0.34 -0.35 1.42 3.41 -1.26 -3.91 113.62 110.39 1c7c n SER 44 Ca -0.03 -0.72 0.14 0.00 -0.26 0.00 0.00 58.87 58.00 1c7c n SER 44 Cb 0.07 -0.09 0.61 0.00 -0.26 0.00 0.00 64.21 64.54 1c7c n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1c7c n PHE 45 N -0.91 0.03 -1.79 7.33 3.01 0.25 -5.03 117.46 120.34 1c7c n PHE 45 Ca 0.18 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.62 1c7c n PHE 45 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 1c7c n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1c7c n GLY 46 N 1.11 0.71 3.64 1.37 0.00 -1.25 -4.73 105.19 106.03 1c7c n GLY 46 Ca 0.20 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.46 1c7c n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c7c s ASP 47 N -4.00 6.71 -0.15 1.61 2.15 -1.26 -4.89 116.67 116.84 1c7c s ASP 47 Ca 0.00 1.39 0.14 0.00 0.43 0.00 0.00 52.55 54.51 1c7c s ASP 47 Cb 0.00 -2.54 0.37 0.00 -0.30 0.00 0.00 42.92 40.45 1c7c s ASP 47 CO 0.00 -1.01 1.19 0.18 -0.17 0.00 0.00 175.17 175.36 1c7c n LEU 48 N 7.43 2.27 0.10 -1.34 4.77 -1.26 -4.28 117.00 124.69 1c7c n LEU 48 Ca 0.15 -3.34 -0.05 0.00 -0.03 0.00 0.00 56.01 52.74 1c7c n LEU 48 Cb 0.46 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 1c7c n LEU 48 CO 0.61 1.08 0.31 0.77 -1.33 0.00 0.00 177.39 178.83 1c7c h SER 49 N 0.73 0.05 -3.77 -1.43 4.64 -1.91 -3.44 113.55 108.42 1c7c h SER 49 Ca -0.03 -0.04 -0.38 0.00 -0.47 0.00 0.00 61.79 60.88 1c7c h SER 49 Cb 1.14 -0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 63.07 1c7c h SER 49 CO 0.01 0.84 -0.69 0.42 -0.87 0.00 0.00 176.83 176.55 1c7c s THR 50 N -3.19 1.20 0.26 2.95 -4.23 -1.26 -5.00 115.64 106.37 1c7c s THR 50 Ca -0.01 -2.07 -0.02 0.00 -1.18 0.00 0.00 61.69 58.42 1c7c s THR 50 Cb 0.11 -2.15 0.24 0.00 1.34 0.00 0.00 72.50 72.04 1c7c s THR 50 CO 0.80 -0.50 1.79 -0.65 -0.54 0.00 0.00 174.62 175.52 1c7c h PRO 51 N 2.58 0.71 -0.83 3.99 0.11 -1.98 -0.33 132.00 136.24 1c7c h PRO 51 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 1c7c h PRO 51 Cb 1.21 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1c7c h PRO 51 CO 0.64 0.47 0.49 -0.44 -0.21 0.00 0.00 178.00 178.96 1c7c h ASP 52 N 0.74 1.01 -0.35 -2.05 3.32 -1.98 -0.31 116.42 116.79 1c7c h ASP 52 Ca 0.44 -0.06 -0.17 0.00 0.02 0.00 0.00 57.03 57.26 1c7c h ASP 52 Cb 0.52 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1c7c h ASP 52 CO -0.30 0.78 -0.43 0.00 -1.72 0.00 0.00 179.24 177.56 1c7c h ALA 53 N 1.39 0.55 0.28 3.45 0.00 -1.46 -1.90 119.26 121.57 1c7c h ALA 53 Ca 0.30 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1c7c h ALA 53 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1c7c h ALA 53 CO -0.05 0.68 -0.14 0.28 0.00 0.00 0.00 179.25 180.01 1c7c h VAL 54 N 0.74 0.71 0.00 0.00 2.07 -0.89 -1.57 116.25 117.31 1c7c h VAL 54 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1c7c h VAL 54 Cb 1.03 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1c7c h VAL 54 CO 0.10 0.00 -0.18 0.24 0.02 0.00 0.00 177.57 177.76 1c7c h MET 55 N -0.38 0.00 -0.02 1.57 2.07 -0.96 -2.28 114.93 114.93 1c7c h MET 55 Ca -0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 1c7c h MET 55 Cb 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 1c7c h MET 55 CO 0.06 0.18 -0.23 0.41 1.07 0.00 0.00 176.91 178.39 1c7c n GLY 56 N -0.57 0.08 3.65 8.32 0.00 -0.72 -4.87 105.19 111.07 1c7c n GLY 56 Ca -0.02 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1c7c n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c7c s ASN 57 N -2.29 6.55 0.48 1.61 3.84 -0.60 -4.90 114.94 119.64 1c7c s ASN 57 Ca 0.26 2.07 0.23 0.00 0.21 0.00 0.00 52.86 55.63 1c7c s ASN 57 Cb 0.19 -2.53 1.24 0.00 -0.55 0.00 0.00 41.25 39.60 1c7c s ASN 57 CO 0.46 -1.05 2.00 1.55 -2.79 0.00 0.00 177.10 177.27 1c7c h PRO 58 N 10.03 0.00 0.00 0.43 0.13 -1.90 -1.85 132.00 138.84 1c7c h PRO 58 Ca -0.38 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.51 1c7c h PRO 58 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1c7c h PRO 58 CO 0.97 0.17 -0.99 0.87 -0.23 0.00 0.00 178.00 178.79 1c7c h LYS 59 N 0.00 0.53 -0.31 0.86 1.57 -1.90 -1.54 116.57 115.77 1c7c h LYS 59 Ca -0.00 -0.57 -0.01 0.00 -1.87 0.00 0.00 60.65 58.20 1c7c h LYS 59 Cb 0.42 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1c7c h LYS 59 CO 0.02 1.20 0.16 0.28 -0.57 0.00 0.00 179.45 180.54 1c7c h VAL 60 N 0.29 1.14 -0.95 0.50 2.07 -1.79 -1.42 116.25 116.09 1c7c h VAL 60 Ca -0.10 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1c7c h VAL 60 Cb 1.63 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 32.18 1c7c h VAL 60 CO 0.18 0.14 0.62 0.11 0.02 0.00 0.00 177.57 178.65 1c7c h LYS 61 N 0.37 1.20 -0.41 1.57 1.57 -1.32 0.09 116.57 119.65 1c7c h LYS 61 Ca 0.11 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 1c7c h LYS 61 Cb 0.08 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1c7c h LYS 61 CO -0.02 0.80 -0.26 0.00 -0.57 0.00 0.00 179.45 179.40 1c7c h ALA 62 N 1.43 0.77 -0.33 3.86 0.00 -0.97 -1.70 119.26 122.31 1c7c h ALA 62 Ca 0.36 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1c7c h ALA 62 Cb -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1c7c h ALA 62 CO -0.09 0.66 -0.32 1.25 0.00 0.00 0.00 179.25 180.74 1c7c h HIS 63 N 0.73 0.85 -0.89 0.00 -0.00 -0.97 -2.31 115.15 112.56 1c7c h HIS 63 Ca 0.09 -0.22 0.04 0.00 -0.00 0.00 0.00 60.37 60.28 1c7c h HIS 63 Cb 0.81 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.97 1c7c h HIS 63 CO 0.05 0.95 0.57 0.78 -0.00 0.00 0.00 177.93 180.28 1c7c h GLY 64 N 0.96 1.31 1.15 5.26 0.00 -0.64 -0.10 103.07 111.02 1c7c h GLY 64 Ca 0.07 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1c7c h GLY 64 CO 0.07 0.35 0.06 1.70 0.00 0.00 0.00 176.54 178.72 1c7c h LYS 65 N 1.09 1.03 -0.07 4.80 3.64 -1.14 -0.96 116.57 124.97 1c7c h LYS 65 Ca 0.36 -0.29 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1c7c h LYS 65 Cb 0.05 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1c7c h LYS 65 CO -0.13 0.98 0.01 -0.22 -2.27 0.00 0.00 179.45 177.82 1c7c h LYS 66 N 0.96 0.11 -0.12 1.90 3.64 -0.81 -0.16 116.57 122.09 1c7c h LYS 66 Ca 0.18 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1c7c h LYS 66 Cb 0.47 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1c7c h LYS 66 CO 0.02 0.31 0.04 0.28 -2.27 0.00 0.00 179.45 177.83 1c7c h VAL 67 N -0.12 1.16 0.00 2.00 2.07 -0.96 -2.38 116.25 118.02 1c7c h VAL 67 Ca 0.02 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 1c7c h VAL 67 Cb 0.25 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1c7c h VAL 67 CO 0.00 0.14 -0.14 0.25 0.02 0.00 0.00 177.57 177.85 1c7c h LEU 68 N 0.02 0.00 -0.70 2.57 5.85 -1.20 -1.54 115.31 120.31 1c7c h LEU 68 Ca 0.04 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1c7c h LEU 68 Cb 0.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1c7c h LEU 68 CO -0.00 0.14 -0.00 1.23 -0.34 0.00 0.00 178.44 179.46 1c7c h GLY 69 N 2.76 1.08 1.17 3.75 0.00 -0.82 0.13 103.07 111.14 1c7c h GLY 69 Ca -0.00 -0.78 -0.17 0.00 0.00 0.00 0.00 47.33 46.38 1c7c h GLY 69 CO 0.02 0.72 -0.44 0.00 0.00 0.00 0.00 176.54 176.84 1c7c h ALA 70 N 1.06 0.56 -0.26 3.60 0.00 -0.99 -1.57 119.26 121.66 1c7c h ALA 70 Ca 0.17 -0.48 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1c7c h ALA 70 Cb 0.54 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1c7c h ALA 70 CO 0.03 0.68 0.04 0.35 0.00 0.00 0.00 179.25 180.34 1c7c h PHE 71 N 0.72 0.06 -0.22 0.00 3.57 -1.12 -1.70 116.94 118.24 1c7c h PHE 71 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1c7c h PHE 71 Cb 1.04 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1c7c h PHE 71 CO 0.06 0.00 0.10 1.03 -2.23 0.00 0.00 178.31 177.28 1c7c h SER 72 N 0.13 0.14 0.77 0.41 0.87 -0.60 0.34 113.55 115.60 1c7c h SER 72 Ca 0.12 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1c7c h SER 72 Cb 0.13 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1c7c h SER 72 CO -0.17 0.11 -0.01 0.44 -0.53 0.00 0.00 176.83 176.67 1c7c h ASP 73 N 0.21 0.00 0.66 6.23 3.32 -1.18 -2.14 116.42 123.52 1c7c h ASP 73 Ca 0.09 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1c7c h ASP 73 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1c7c h ASP 73 CO -0.08 0.01 -0.34 1.23 -1.72 0.00 0.00 179.24 178.34 1c7c h GLY 74 N 1.55 0.00 2.00 2.75 0.00 0.02 -2.89 103.07 106.51 1c7c h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1c7c h GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1c7c h LEU 75 N 0.00 0.00 -0.13 3.11 3.38 -0.97 0.18 115.31 120.89 1c7c h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c7c h LEU 75 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1c7c h LEU 75 CO 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.52 1c7c n ALA 76 N -1.92 2.65 -2.51 1.53 0.00 -1.09 -4.02 120.51 115.15 1c7c n ALA 76 Ca 0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1c7c n ALA 76 Cb 0.22 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.29 1c7c n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c7c n HIS 77 N -1.08 2.01 0.29 0.00 8.25 0.05 -4.89 115.22 119.86 1c7c n HIS 77 Ca 0.15 -2.43 0.15 0.00 -0.26 0.00 0.00 57.72 55.33 1c7c n HIS 77 Cb 0.25 -0.27 0.89 0.00 1.12 0.00 0.00 29.99 31.98 1c7c n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1c7c h LEU 78 N 2.55 0.00 -0.80 2.41 3.38 -1.70 0.30 115.31 121.46 1c7c h LEU 78 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1c7c h LEU 78 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1c7c h LEU 78 CO 0.51 0.01 0.00 0.47 0.09 0.00 0.00 178.44 179.52 1c7c n ASP 79 N -3.87 1.20 -2.85 -0.43 8.00 -1.26 -1.84 116.55 115.50 1c7c n ASP 79 Ca -0.03 -1.61 -0.11 0.00 0.71 0.00 0.00 54.79 53.75 1c7c n ASP 79 Cb 0.09 -0.07 0.05 0.00 -0.02 0.00 0.00 41.12 41.17 1c7c n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1c7c n ASN 80 N 0.01 -0.60 -0.07 -2.24 5.15 0.09 -4.17 115.26 113.42 1c7c n ASN 80 Ca 0.16 -3.08 -0.12 0.00 -0.60 0.00 0.00 54.58 50.94 1c7c n ASN 80 Cb 0.26 0.53 0.01 0.00 -0.53 0.00 0.00 39.78 40.05 1c7c n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1c7c h LEU 81 N 2.81 0.88 -0.43 1.20 3.38 -1.71 -2.44 115.31 119.00 1c7c h LEU 81 Ca -0.07 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.50 1c7c h LEU 81 Cb 1.11 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1c7c h LEU 81 CO 0.27 1.19 0.22 0.11 0.09 0.00 0.00 178.44 180.32 1c7c h LYS 82 N 0.65 0.42 -0.26 1.13 1.57 -1.91 -1.77 116.57 116.40 1c7c h LYS 82 Ca 0.04 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 1c7c h LYS 82 Cb 1.03 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 1c7c h LYS 82 CO 0.10 0.28 -0.54 0.78 -0.57 0.00 0.00 179.45 179.51 1c7c h GLY 83 N 0.44 0.85 1.59 3.86 0.00 -1.95 -1.66 103.07 106.20 1c7c h GLY 83 Ca 0.18 -0.98 0.05 0.00 0.00 0.00 0.00 47.33 46.58 1c7c h GLY 83 CO -0.12 0.88 0.16 -0.84 0.00 0.00 0.00 176.54 176.62 1c7c h THR 84 N 0.60 0.92 -0.12 4.70 2.02 -1.23 -3.16 112.91 116.64 1c7c h THR 84 Ca 0.02 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1c7c h THR 84 Cb 1.12 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1c7c h THR 84 CO 0.11 0.01 0.00 0.49 0.37 0.00 0.00 175.52 176.51 1c7c n PHE 85 N -4.48 0.16 0.07 3.16 3.72 -0.68 -4.73 117.46 114.67 1c7c n PHE 85 Ca 0.02 -0.34 -0.12 0.00 -0.05 0.00 0.00 57.45 56.96 1c7c n PHE 85 Cb 0.26 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.72 1c7c n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c7c h ALA 86 N 1.05 -0.39 -0.21 4.37 0.00 -1.27 0.19 119.26 123.00 1c7c h ALA 86 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1c7c h ALA 86 Cb 0.50 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1c7c h ALA 86 CO 0.00 -0.78 -0.41 1.15 0.00 0.00 0.00 179.25 179.21 1c7c h THR 87 N -0.43 1.30 -0.24 0.00 2.02 -1.85 -2.18 112.91 111.54 1c7c h THR 87 Ca 0.06 -1.57 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 1c7c h THR 87 Cb 0.50 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1c7c h THR 87 CO -0.22 0.49 -0.14 -0.07 0.37 0.00 0.00 175.52 175.96 1c7c h LEU 88 N 0.40 0.39 -0.04 2.58 3.38 -1.79 -1.59 115.31 118.65 1c7c h LEU 88 Ca 0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1c7c h LEU 88 Cb 0.89 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 1c7c h LEU 88 CO 0.08 0.56 0.02 -1.28 0.09 0.00 0.00 178.44 177.91 1c7c h SER 89 N 0.38 0.04 -0.70 -0.43 0.87 -0.16 -0.84 113.55 112.71 1c7c h SER 89 Ca 0.07 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1c7c h SER 89 Cb 0.47 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 1c7c h SER 89 CO 0.03 0.08 0.40 -0.33 -0.53 0.00 0.00 176.83 176.48 1c7c h GLU 90 N 0.00 0.98 -0.48 2.24 5.08 -1.17 -1.82 114.58 119.42 1c7c h GLU 90 Ca 0.01 -0.10 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1c7c h GLU 90 Cb 0.05 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1c7c h GLU 90 CO -0.00 0.71 -0.21 1.25 -1.00 0.00 0.00 179.01 179.76 1c7c h LEU 91 N 0.99 1.00 -1.24 1.33 5.85 -1.04 0.59 115.31 122.79 1c7c h LEU 91 Ca 0.25 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 1c7c h LEU 91 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1c7c h LEU 91 CO -0.04 1.17 -0.38 0.45 -0.34 0.00 0.00 178.44 179.30 1c7c h HIS 92 N 0.85 0.00 0.01 1.25 3.86 -0.66 -1.63 115.15 118.83 1c7c h HIS 92 Ca 0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 1c7c h HIS 92 Cb 0.78 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.25 1c7c h HIS 92 CO 0.05 0.38 -0.00 0.00 0.86 0.00 0.00 177.93 179.21 1c7c h ASP 94 N -0.94 0.89 0.00 0.00 3.32 -0.95 -3.16 116.42 115.57 1c7c h ASP 94 Ca -0.00 -0.50 -0.32 0.00 0.02 0.00 0.00 57.03 56.23 1c7c h ASP 94 Cb 0.01 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.25 1c7c h ASP 94 CO 0.00 1.28 -2.16 0.29 -1.72 0.00 0.00 179.24 176.94 1c7c n LYS 95 N -3.98 0.49 0.03 3.56 4.76 -0.89 -4.72 118.16 117.41 1c7c n LYS 95 Ca -0.05 0.14 0.11 0.00 -2.87 0.00 0.00 58.31 55.64 1c7c n LYS 95 Cb 0.65 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.46 1c7c n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c7c n LEU 96 N -3.32 0.56 -3.83 -0.35 4.77 -0.67 -4.99 117.00 109.17 1c7c n LEU 96 Ca -0.37 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.37 1c7c n LEU 96 Cb 0.86 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.89 1c7c n LEU 96 CO 0.15 0.01 -0.07 1.41 -1.33 0.00 0.00 177.39 177.56 1c7c n HIS 97 N -2.09 -1.91 -3.28 -1.77 8.25 -0.38 -4.95 115.22 109.09 1c7c n HIS 97 Ca 0.01 0.83 -0.41 0.00 -0.26 0.00 0.00 57.72 57.89 1c7c n HIS 97 Cb 0.47 -4.07 -0.08 0.00 1.12 0.00 0.00 29.99 27.42 1c7c n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1c7c s VAL 98 N -3.65 5.06 0.05 1.59 1.01 -0.71 -5.04 120.40 118.72 1c7c s VAL 98 Ca 0.17 0.37 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 1c7c s VAL 98 Cb -0.09 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1c7c s VAL 98 CO 0.84 -0.13 1.89 -0.67 0.00 0.00 0.00 175.10 177.02 1c7c n ASP 99 N 5.63 3.94 0.25 3.32 -0.08 -1.26 -4.76 116.55 123.58 1c7c n ASP 99 Ca -0.06 0.96 0.16 0.00 -1.51 0.00 0.00 54.79 54.34 1c7c n ASP 99 Cb 0.49 -1.50 0.84 0.00 2.34 0.00 0.00 41.12 43.29 1c7c n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1c7c h PRO 100 N 9.31 0.00 -0.60 -0.67 0.11 -1.97 -0.39 132.00 137.80 1c7c h PRO 100 Ca -0.48 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.77 1c7c h PRO 100 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1c7c h PRO 100 CO 0.94 0.00 0.41 1.49 -0.21 0.00 0.00 178.00 180.63 1c7c h GLU 101 N 0.00 0.19 -0.14 1.05 4.57 -1.99 -1.59 114.58 116.67 1c7c h GLU 101 Ca 0.00 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1c7c h GLU 101 Cb 0.13 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1c7c h GLU 101 CO 0.00 0.13 -0.00 -0.91 -1.18 0.00 0.00 179.01 177.04 1c7c h ASN 102 N 0.19 0.18 0.00 1.04 2.35 -1.43 -1.40 115.58 116.52 1c7c h ASN 102 Ca 0.29 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 1c7c h ASN 102 Cb 0.86 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 1c7c h ASN 102 CO -0.05 0.22 -0.33 -0.26 -1.65 0.00 0.00 177.43 175.36 1c7c h PHE 103 N 0.20 0.53 -0.38 1.19 0.04 -1.48 -1.21 116.94 115.83 1c7c h PHE 103 Ca 0.05 -0.13 -0.15 0.00 2.80 0.00 0.00 57.97 60.54 1c7c h PHE 103 Cb 0.15 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1c7c h PHE 103 CO 0.00 0.74 -0.34 0.00 -0.60 0.00 0.00 178.31 178.11 1c7c h ARG 104 N 0.40 0.89 -0.50 1.51 3.08 -1.27 -1.45 114.38 117.04 1c7c h ARG 104 Ca 0.05 -0.44 -0.09 0.00 0.07 0.00 0.00 59.98 59.57 1c7c h ARG 104 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 1c7c h ARG 104 CO 0.06 1.09 -0.04 -0.07 -1.07 0.00 0.00 179.97 179.93 1c7c h LEU 105 N 0.74 0.91 -0.93 3.04 3.38 -1.12 -2.00 115.31 119.33 1c7c h LEU 105 Ca 0.07 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1c7c h LEU 105 Cb 0.92 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1c7c h LEU 105 CO 0.08 1.02 0.61 0.25 0.09 0.00 0.00 178.44 180.50 1c7c h LEU 106 N 0.78 1.07 -0.54 1.67 5.85 -1.16 -1.97 115.31 121.00 1c7c h LEU 106 Ca 0.14 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1c7c h LEU 106 Cb 0.58 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1c7c h LEU 106 CO 0.03 0.78 0.14 1.23 -0.34 0.00 0.00 178.44 180.28 1c7c h GLY 107 N 1.26 0.70 1.03 3.75 0.00 -0.81 0.15 103.07 109.14 1c7c h GLY 107 Ca 0.34 -0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 1c7c h GLY 107 CO -0.07 -0.06 0.09 0.50 0.00 0.00 0.00 176.54 177.00 1c7c h LYS 108 N 0.29 0.96 -0.23 4.80 1.57 -0.97 -2.18 116.57 120.82 1c7c h LYS 108 Ca 0.27 -0.26 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1c7c h LYS 108 Cb 0.36 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1c7c h LYS 108 CO -0.33 0.92 -0.48 0.28 -0.57 0.00 0.00 179.45 179.28 1c7c h VAL 109 N 0.86 1.31 -0.56 0.50 2.07 -0.97 -2.37 116.25 117.09 1c7c h VAL 109 Ca 0.18 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.00 1c7c h VAL 109 Cb 0.43 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1c7c h VAL 109 CO 0.01 0.53 0.30 0.25 0.02 0.00 0.00 177.57 178.68 1c7c h LEU 110 N 0.48 0.71 -0.79 2.57 5.85 -0.58 -0.87 115.31 122.68 1c7c h LEU 110 Ca 0.03 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1c7c h LEU 110 Cb 1.01 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1c7c h LEU 110 CO 0.09 0.61 0.45 0.58 -0.34 0.00 0.00 178.44 179.83 1c7c h VAL 111 N 0.76 1.23 -0.68 1.05 2.07 -1.22 0.61 116.25 120.07 1c7c h VAL 111 Ca 0.20 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1c7c h VAL 111 Cb 0.06 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1c7c h VAL 111 CO -0.03 0.25 0.42 0.00 0.02 0.00 0.00 177.57 178.23 1c7c h VAL 113 N 0.92 1.21 -0.95 0.00 2.07 -0.48 -0.26 116.25 118.77 1c7c h VAL 113 Ca 0.25 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1c7c h VAL 113 Cb -0.05 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 1c7c h VAL 113 CO -0.05 0.24 0.57 -0.07 0.02 0.00 0.00 177.57 178.28 1c7c h LEU 114 N 0.71 1.14 -0.66 2.57 3.38 -0.64 0.77 115.31 122.58 1c7c h LEU 114 Ca 0.18 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1c7c h LEU 114 Cb 0.15 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1c7c h LEU 114 CO -0.02 0.87 0.07 0.00 0.09 0.00 0.00 178.44 179.45 1c7c h ALA 115 N 1.32 0.88 -0.42 1.53 0.00 -0.86 0.11 119.26 121.82 1c7c h ALA 115 Ca 0.34 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1c7c h ALA 115 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1c7c h ALA 115 CO -0.06 0.67 -0.02 1.25 0.00 0.00 0.00 179.25 181.09 1c7c h HIS 116 N 1.03 0.83 -0.48 0.00 -0.00 -0.57 0.19 115.15 116.14 1c7c h HIS 116 Ca 0.19 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.35 1c7c h HIS 116 Cb 0.49 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1c7c h HIS 116 CO 0.04 0.83 0.05 0.45 -0.00 0.00 0.00 177.93 179.29 1c7c h HIS 117 N 0.59 0.87 -0.01 5.26 -0.00 -0.64 -3.34 115.15 117.87 1c7c h HIS 117 Ca 0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1c7c h HIS 117 Cb 0.51 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 1c7c h HIS 117 CO 0.04 0.82 -0.28 1.19 -0.00 0.00 0.00 177.93 179.69 1c7c n PHE 118 N -4.40 0.00 -0.08 2.45 3.72 0.01 -5.05 117.46 114.11 1c7c n PHE 118 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1c7c n PHE 118 Cb 0.27 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 1c7c n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c7c n GLY 119 N 1.10 2.82 0.33 1.37 0.00 0.05 -1.59 105.19 109.27 1c7c n GLY 119 Ca 0.07 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.25 1c7c n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1c7c h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.97 0.20 116.57 118.51 1c7c h LYS 120 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1c7c h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1c7c h LYS 120 CO 0.00 0.00 0.00 1.49 -2.00 0.00 0.00 179.45 178.94 1c7c h GLU 121 N 0.00 0.00 -4.00 0.07 4.81 -1.69 -3.31 114.58 110.46 1c7c h GLU 121 Ca 0.02 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.50 1c7c h GLU 121 Cb 0.24 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.44 1c7c h GLU 121 CO -0.00 0.00 1.60 0.34 -0.73 0.00 0.00 179.01 180.22 1c7c n PHE 122 N -3.02 3.87 -1.84 0.92 7.35 0.69 -4.95 117.46 120.47 1c7c n PHE 122 Ca -0.01 -3.07 -0.30 0.00 -0.76 0.00 0.00 57.45 53.31 1c7c n PHE 122 Cb 0.17 -2.00 0.07 0.00 0.35 0.00 0.00 39.48 38.08 1c7c n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1c7c s THR 123 N 0.60 2.75 0.26 -2.13 -4.23 -1.25 -4.73 115.64 106.92 1c7c s THR 123 Ca 0.40 0.24 -0.03 0.00 -1.18 0.00 0.00 61.69 61.13 1c7c s THR 123 Cb 0.03 -3.21 0.26 0.00 1.34 0.00 0.00 72.50 70.92 1c7c s THR 123 CO 0.01 -0.32 1.87 -0.65 -0.54 0.00 0.00 174.62 174.98 1c7c h PRO 124 N -0.90 1.07 -0.17 3.99 0.11 -1.94 0.40 132.00 134.55 1c7c h PRO 124 Ca -0.46 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 1c7c h PRO 124 Cb 1.29 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1c7c h PRO 124 CO 0.64 0.71 -0.41 -1.35 -0.21 0.00 0.00 178.00 177.38 1c7c h PRO 125 N 1.10 0.39 -0.64 1.05 0.11 -1.99 -1.76 132.00 130.26 1c7c h PRO 125 Ca 0.43 -0.19 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 1c7c h PRO 125 Cb 0.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 1c7c h PRO 125 CO -0.19 0.74 0.04 0.28 -0.21 0.00 0.00 178.00 178.66 1c7c h VAL 126 N 0.32 1.27 -0.47 3.15 2.07 -1.68 -1.80 116.25 119.10 1c7c h VAL 126 Ca 0.03 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 1c7c h VAL 126 Cb 0.87 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1c7c h VAL 126 CO 0.07 0.41 0.26 -0.61 0.02 0.00 0.00 177.57 177.72 1c7c h GLN 127 N 1.01 0.66 -0.97 1.57 4.15 -0.83 -1.81 115.11 118.89 1c7c h GLN 127 Ca 0.18 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.58 1c7c h GLN 127 Cb 0.52 -0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 1c7c h GLN 127 CO 0.03 0.52 0.63 0.00 -1.93 0.00 0.00 178.83 178.07 1c7c h ALA 128 N 1.10 1.31 -0.43 3.38 0.00 -1.07 0.32 119.26 123.87 1c7c h ALA 128 Ca 0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1c7c h ALA 128 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1c7c h ALA 128 CO -0.03 0.46 0.11 0.00 0.00 0.00 0.00 179.25 179.80 1c7c h ALA 129 N 1.42 0.57 -0.08 0.00 0.00 -1.09 -2.58 119.26 117.50 1c7c h ALA 129 Ca 0.40 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1c7c h ALA 129 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1c7c h ALA 129 CO -0.15 0.25 -0.25 1.88 0.00 0.00 0.00 179.25 180.98 1c7c h TYR 130 N 0.57 0.15 -0.85 0.00 0.05 -0.46 -2.46 116.97 113.96 1c7c h TYR 130 Ca 0.14 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 1c7c h TYR 130 Cb 0.31 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.97 1c7c h TYR 130 CO 0.02 0.38 0.47 1.96 -1.05 0.00 0.00 178.16 179.94 1c7c h GLN 131 N 0.12 1.18 -0.48 4.88 1.08 -0.21 -0.02 115.11 121.65 1c7c h GLN 131 Ca 0.02 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.05 1c7c h GLN 131 Cb 0.52 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 1c7c h GLN 131 CO 0.04 0.86 0.18 0.87 -0.95 0.00 0.00 178.83 179.83 1c7c h LYS 132 N 1.18 0.73 -0.28 1.46 1.57 -1.05 -1.84 116.57 118.34 1c7c h LYS 132 Ca 0.30 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1c7c h LYS 132 Cb 0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1c7c h LYS 132 CO -0.05 0.67 0.10 0.28 -0.57 0.00 0.00 179.45 179.88 1c7c h VAL 133 N 0.64 1.19 -0.23 0.50 2.07 -1.08 -0.11 116.25 119.23 1c7c h VAL 133 Ca 0.16 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1c7c h VAL 133 Cb 0.23 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1c7c h VAL 133 CO -0.01 0.20 -0.26 -0.37 0.02 0.00 0.00 177.57 177.15 1c7c h VAL 134 N 0.29 1.26 -0.45 2.57 -1.51 -0.96 0.33 116.25 117.79 1c7c h VAL 134 Ca 0.09 -1.26 -0.03 0.00 -1.23 0.00 0.00 66.70 64.28 1c7c h VAL 134 Cb 0.21 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 1c7c h VAL 134 CO -0.01 0.40 0.16 0.00 -1.23 0.00 0.00 177.57 176.89 1c7c h ALA 135 N 1.35 0.58 -0.33 5.19 0.00 -1.14 -1.30 119.26 123.61 1c7c h ALA 135 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1c7c h ALA 135 Cb 0.66 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1c7c h ALA 135 CO 0.05 0.21 0.05 0.78 0.00 0.00 0.00 179.25 180.34 1c7c h GLY 136 N 0.58 0.37 0.90 0.00 0.00 -0.52 0.53 103.07 104.93 1c7c h GLY 136 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1c7c h GLY 136 CO -0.01 -0.03 0.05 -2.08 0.00 0.00 0.00 176.54 174.47 1c7c h VAL 137 N 0.16 1.24 -0.67 4.60 2.07 -0.89 -0.84 116.25 121.92 1c7c h VAL 137 Ca 0.15 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.86 1c7c h VAL 137 Cb 0.18 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1c7c h VAL 137 CO -0.21 0.28 0.42 0.00 0.02 0.00 0.00 177.57 178.08 1c7c h ALA 138 N 0.89 0.86 -0.68 1.67 0.00 -1.00 0.06 119.26 121.06 1c7c h ALA 138 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1c7c h ALA 138 Cb 0.36 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1c7c h ALA 138 CO 0.01 0.21 0.22 -0.91 0.00 0.00 0.00 179.25 178.78 1c7c h ASN 139 N 0.84 0.97 -0.69 0.00 2.35 -0.77 -1.62 115.58 116.67 1c7c h ASN 139 Ca 0.26 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1c7c h ASN 139 Cb -0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 1c7c h ASN 139 CO -0.09 0.91 0.30 0.00 -1.65 0.00 0.00 177.43 176.91 1c7c h ALA 140 N 1.10 0.89 0.00 -0.83 0.00 -0.57 -2.26 119.26 117.59 1c7c h ALA 140 Ca 0.22 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1c7c h ALA 140 Cb 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1c7c h ALA 140 CO -0.01 0.48 -0.17 -0.07 0.00 0.00 0.00 179.25 179.48 1c7c h LEU 141 N 0.97 0.00 -0.65 0.00 3.38 -0.75 -2.81 115.31 115.45 1c7c h LEU 141 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1c7c h LEU 141 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1c7c h LEU 141 CO -0.02 0.17 -0.27 0.00 0.09 0.00 0.00 178.44 178.41 1c7c n ALA 142 N -2.22 3.12 0.09 1.53 0.00 -0.63 -4.43 120.51 117.97 1c7c n ALA 142 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1c7c n ALA 142 Cb 0.37 -1.07 0.32 0.00 0.00 0.00 0.00 19.45 19.07 1c7c n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c7c h HIS 143 N 1.59 0.30 -0.52 0.00 6.17 -1.15 -2.75 115.15 118.80 1c7c h HIS 143 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.03 1c7c h HIS 143 Cb 0.56 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.41 1c7c h HIS 143 CO 0.00 0.48 0.00 1.63 0.71 0.00 0.00 177.93 180.75 1c7c n LYS 144 N -4.19 2.37 -2.10 5.26 4.76 -1.26 -4.94 118.16 118.06 1c7c n LYS 144 Ca -0.01 -2.11 -0.40 0.00 -2.87 0.00 0.00 58.31 52.93 1c7c n LYS 144 Cb 0.34 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1c7c n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1c7c s TYR 145 N -1.31 2.95 0.00 2.13 1.51 -1.04 -4.77 117.35 116.81 1c7c s TYR 145 Ca 0.39 1.42 0.00 0.00 -1.01 0.00 0.00 57.07 57.87 1c7c s TYR 145 Cb 0.21 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 1c7c s TYR 145 CO 0.28 -1.94 0.00 -2.39 -1.11 0.00 0.00 175.55 170.40