#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gpu s PHE 4 N 0.00 3.56 0.07 1.08 0.08 -1.26 -5.10 117.98 116.41 1gpu s PHE 4 Ca 0.00 0.60 0.00 0.00 0.12 0.00 0.00 56.93 57.65 1gpu s PHE 4 Cb 0.00 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1gpu s PHE 4 CO 0.00 0.57 0.00 0.25 -0.10 0.00 0.00 175.22 175.94 1gpu n THR 5 N 0.92 0.00 -0.21 0.64 -2.24 -1.26 -4.99 114.28 107.14 1gpu n THR 5 Ca -0.09 -0.32 0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1gpu n THR 5 Cb 0.52 0.07 0.43 0.00 -2.10 0.00 0.00 70.33 69.25 1gpu n THR 5 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1gpu h ASP 6 N 0.17 0.54 -0.50 3.42 3.32 -1.99 -0.16 116.42 121.22 1gpu h ASP 6 Ca -0.05 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1gpu h ASP 6 Cb 0.17 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1gpu h ASP 6 CO 0.09 0.29 0.30 -0.29 -1.72 0.00 0.00 179.24 177.91 1gpu h ILE 7 N 0.58 1.15 -0.44 0.35 6.09 -1.99 0.88 117.51 124.13 1gpu h ILE 7 Ca 0.40 -0.34 -0.11 0.00 -1.37 0.00 0.00 64.86 63.44 1gpu h ILE 7 Cb 0.72 0.44 -0.01 0.00 0.47 0.00 0.00 36.82 38.43 1gpu h ILE 7 CO -0.16 0.16 -0.16 0.44 -3.07 0.00 0.00 178.15 175.36 1gpu h ASP 8 N 0.70 0.90 -0.45 2.19 3.32 -1.42 -0.14 116.42 121.52 1gpu h ASP 8 Ca 0.18 -0.38 -0.08 0.00 0.02 0.00 0.00 57.03 56.77 1gpu h ASP 8 Cb -0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 1gpu h ASP 8 CO -0.03 1.08 0.01 0.11 -1.72 0.00 0.00 179.24 178.69 1gpu h LYS 9 N 0.71 0.86 -0.62 3.56 1.57 -1.03 -1.62 116.57 120.00 1gpu h LYS 9 Ca 0.10 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 1gpu h LYS 9 Cb 0.71 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1gpu h LYS 9 CO 0.05 0.85 0.07 1.25 -0.57 0.00 0.00 179.45 181.10 1gpu h LEU 10 N 0.80 1.02 -0.75 2.94 5.85 -0.58 -2.12 115.31 122.47 1gpu h LEU 10 Ca 0.15 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1gpu h LEU 10 Cb 0.46 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1gpu h LEU 10 CO 0.02 1.04 0.46 0.00 -0.34 0.00 0.00 178.44 179.61 1gpu h ALA 11 N 1.01 0.95 -0.79 1.25 0.00 -0.58 -0.53 119.26 120.57 1gpu h ALA 11 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1gpu h ALA 11 Cb 0.48 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1gpu h ALA 11 CO 0.02 0.41 0.38 0.28 0.00 0.00 0.00 179.25 180.34 1gpu h VAL 12 N 1.02 1.25 -0.44 0.00 2.07 -1.03 -0.53 116.25 118.58 1gpu h VAL 12 Ca 0.27 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1gpu h VAL 12 Cb -0.05 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1gpu h VAL 12 CO -0.05 0.30 -0.16 0.28 0.02 0.00 0.00 177.57 177.96 1gpu h SER 13 N 1.12 0.85 -0.41 0.57 0.02 -0.96 -1.34 113.55 113.39 1gpu h SER 13 Ca 0.27 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1gpu h SER 13 Cb 0.12 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1gpu h SER 13 CO -0.03 1.00 0.21 0.74 -1.14 0.00 0.00 176.83 177.61 1gpu h THR 14 N 0.75 1.16 0.04 -2.27 2.02 -0.62 -1.08 112.91 112.90 1gpu h THR 14 Ca 0.11 -0.44 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 1gpu h THR 14 Cb 0.68 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1gpu h THR 14 CO 0.05 0.17 -0.02 0.40 0.37 0.00 0.00 175.52 176.50 1gpu h ILE 15 N 0.52 1.00 -0.26 3.11 2.04 -0.94 0.29 117.51 123.27 1gpu h ILE 15 Ca 0.14 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.96 1gpu h ILE 15 Cb 0.09 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1gpu h ILE 15 CO -0.02 0.02 -0.02 0.03 0.00 0.00 0.00 178.15 178.17 1gpu h ARG 16 N -0.09 0.06 -0.20 2.37 3.08 -1.04 -1.61 114.38 116.95 1gpu h ARG 16 Ca -0.00 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.89 1gpu h ARG 16 Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1gpu h ARG 16 CO 0.01 0.04 -0.52 0.82 -1.07 0.00 0.00 179.97 179.25 1gpu h ILE 17 N 0.06 1.31 -0.60 2.04 2.04 -1.12 -2.22 117.51 119.02 1gpu h ILE 17 Ca 0.12 -1.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 1gpu h ILE 17 Cb 0.17 1.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1gpu h ILE 17 CO -0.22 0.55 0.20 0.25 0.00 0.00 0.00 178.15 178.93 1gpu h LEU 18 N 0.45 0.86 -0.52 1.44 5.85 -0.72 0.81 115.31 123.48 1gpu h LEU 18 Ca 0.02 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1gpu h LEU 18 Cb 1.06 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1gpu h LEU 18 CO 0.10 0.83 0.07 0.00 -0.34 0.00 0.00 178.44 179.10 1gpu h ALA 19 N 1.07 0.69 -0.30 1.25 0.00 -1.25 -1.19 119.26 119.53 1gpu h ALA 19 Ca 0.20 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1gpu h ALA 19 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1gpu h ALA 19 CO -0.01 0.44 0.13 0.28 0.00 0.00 0.00 179.25 180.09 1gpu h VAL 20 N 0.75 1.17 -0.87 0.00 2.07 -1.09 -1.94 116.25 116.34 1gpu h VAL 20 Ca 0.16 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1gpu h VAL 20 Cb 0.42 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1gpu h VAL 20 CO 0.01 0.18 0.50 0.44 0.02 0.00 0.00 177.57 178.72 1gpu h ASP 21 N 0.34 1.07 -0.25 0.57 3.32 -0.70 0.36 116.42 121.12 1gpu h ASP 21 Ca 0.10 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.08 1gpu h ASP 21 Cb 0.16 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1gpu h ASP 21 CO -0.01 0.84 0.15 0.74 -1.72 0.00 0.00 179.24 179.24 1gpu h THR 22 N 1.21 1.04 -0.42 0.35 2.02 -0.97 -0.79 112.91 115.34 1gpu h THR 22 Ca 0.31 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 67.29 1gpu h THR 22 Cb -0.01 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1gpu h THR 22 CO -0.05 0.06 -0.11 0.58 0.37 0.00 0.00 175.52 176.37 1gpu h VAL 23 N 0.31 1.27 -0.61 3.16 2.07 -0.94 -3.00 116.25 118.51 1gpu h VAL 23 Ca 0.10 -1.21 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1gpu h VAL 23 Cb -0.01 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1gpu h VAL 23 CO -0.04 0.41 0.26 0.28 0.02 0.00 0.00 177.57 178.50 1gpu h SER 24 N 0.64 0.83 -0.67 0.57 0.02 -0.70 -0.77 113.55 113.47 1gpu h SER 24 Ca 0.11 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1gpu h SER 24 Cb 0.64 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1gpu h SER 24 CO 0.04 0.77 0.32 0.50 -1.14 0.00 0.00 176.83 177.32 1gpu h LYS 25 N 0.85 1.00 0.00 3.45 3.64 -1.15 -0.49 116.57 123.86 1gpu h LYS 25 Ca 0.21 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1gpu h LYS 25 Cb 0.18 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1gpu h LYS 25 CO -0.02 0.78 0.00 0.00 -2.27 0.00 0.00 179.45 177.94 1gpu h ALA 26 N 1.36 1.00 -4.57 5.00 0.00 -1.35 -3.46 119.26 117.24 1gpu h ALA 26 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.76 1gpu h ALA 26 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gpu h ALA 26 CO -0.03 0.00 -0.57 -1.71 0.00 0.00 0.00 179.25 176.94 1gpu n ASN 27 N -3.09 -5.35 -3.61 0.00 4.05 -0.20 -4.92 115.26 102.14 1gpu n ASN 27 Ca 0.02 -0.26 -0.11 0.00 0.45 0.00 0.00 54.58 54.69 1gpu n ASN 27 Cb 0.41 -4.36 -0.06 0.00 1.23 0.00 0.00 39.78 36.99 1gpu n ASN 27 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1gpu s SER 28 N -2.61 -0.46 0.00 1.20 0.15 -1.14 -4.85 113.70 105.99 1gpu s SER 28 Ca 0.28 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1gpu s SER 28 Cb -0.13 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1gpu s SER 28 CO 0.35 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1gpu n GLY 29 N 1.68 1.02 3.17 9.45 0.00 -1.26 -4.70 105.19 114.55 1gpu n GLY 29 Ca -0.12 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.36 1gpu n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gpu s HIS 30 N -1.05 3.25 -0.09 1.61 3.76 -1.26 -2.35 115.29 119.15 1gpu s HIS 30 Ca 0.00 -1.88 0.15 0.00 -0.15 0.00 0.00 55.06 53.17 1gpu s HIS 30 Cb 0.00 -2.08 -0.13 0.00 1.11 0.00 0.00 32.58 31.48 1gpu s HIS 30 CO 0.00 -0.80 0.93 -1.00 -0.85 0.00 0.00 174.74 173.02 1gpu h PRO 31 N 7.98 0.00 -0.00 8.40 0.13 -1.71 -3.41 132.00 143.39 1gpu h PRO 31 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1gpu h PRO 31 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1gpu h PRO 31 CO 0.53 0.42 -0.01 0.78 -0.23 0.00 0.00 178.00 179.49 1gpu h GLY 32 N 3.58 -1.70 1.23 1.56 0.00 -0.97 -2.36 103.07 104.41 1gpu h GLY 32 Ca -0.15 0.73 -0.03 0.00 0.00 0.00 0.00 47.33 47.89 1gpu h GLY 32 CO 0.06 -0.65 0.31 0.00 0.00 0.00 0.00 176.54 176.26 1gpu h ALA 33 N -1.36 1.25 -0.62 3.60 0.00 -1.82 -0.96 119.26 119.35 1gpu h ALA 33 Ca 0.00 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.81 1gpu h ALA 33 Cb 0.01 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1gpu h ALA 33 CO -0.01 0.57 0.34 -1.35 0.00 0.00 0.00 179.25 178.80 1gpu h PRO 34 N 0.98 0.62 -0.71 0.00 0.11 -1.77 0.28 132.00 131.51 1gpu h PRO 34 Ca 0.24 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 1gpu h PRO 34 Cb 0.13 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.07 1gpu h PRO 34 CO -0.03 0.41 0.17 -0.07 -0.21 0.00 0.00 178.00 178.28 1gpu h LEU 35 N 0.64 1.09 -0.48 2.35 3.38 -1.12 -2.07 115.31 119.10 1gpu h LEU 35 Ca 0.27 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 1gpu h LEU 35 Cb 0.15 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1gpu h LEU 35 CO -0.16 1.04 -0.59 1.23 0.09 0.00 0.00 178.44 180.05 1gpu h GLY 36 N 1.09 0.61 -1.41 0.83 0.00 -0.64 -3.30 103.07 100.25 1gpu h GLY 36 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1gpu h GLY 36 CO 0.00 0.66 0.00 1.03 0.00 0.00 0.00 176.54 178.23 1gpu n MET 37 N -3.94 2.08 -0.16 4.80 2.81 0.92 -4.52 117.12 119.10 1gpu n MET 37 Ca -0.04 -1.59 -0.03 0.00 -1.81 0.00 0.00 57.70 54.24 1gpu n MET 37 Cb 0.63 -1.46 0.06 0.00 -0.71 0.00 0.00 33.22 31.74 1gpu n MET 37 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1gpu h ALA 38 N 4.44 0.60 -0.39 3.04 0.00 -1.45 0.07 119.26 125.57 1gpu h ALA 38 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1gpu h ALA 38 Cb 0.76 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1gpu h ALA 38 CO 0.00 -0.23 0.20 -1.35 0.00 0.00 0.00 179.25 177.87 1gpu h PRO 39 N 0.33 0.40 -0.64 0.00 0.11 -1.84 -1.10 132.00 129.26 1gpu h PRO 39 Ca 0.24 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 1gpu h PRO 39 Cb 0.27 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.26 1gpu h PRO 39 CO -0.26 0.27 0.26 0.00 -0.21 0.00 0.00 178.00 178.05 1gpu h ALA 40 N 1.19 1.24 -0.30 -0.75 0.00 -1.70 -1.71 119.26 117.24 1gpu h ALA 40 Ca 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gpu h ALA 40 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1gpu h ALA 40 CO -0.10 0.56 0.15 0.00 0.00 0.00 0.00 179.25 179.86 1gpu h ALA 41 N 1.35 0.38 0.20 0.00 0.00 -0.41 0.53 119.26 121.31 1gpu h ALA 41 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1gpu h ALA 41 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1gpu h ALA 41 CO -0.02 -0.07 -0.09 1.25 0.00 0.00 0.00 179.25 180.31 1gpu h HIS 42 N 0.36 -0.24 0.07 0.00 6.17 -0.86 -0.25 115.15 120.39 1gpu h HIS 42 Ca 0.10 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1gpu h HIS 42 Cb 0.09 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.09 1gpu h HIS 42 CO -0.03 -0.09 -0.08 0.28 0.71 0.00 0.00 177.93 178.72 1gpu h VAL 43 N -0.34 0.81 0.49 5.26 2.07 -1.24 -0.17 116.25 123.13 1gpu h VAL 43 Ca -0.03 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 1gpu h VAL 43 Cb 0.26 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1gpu h VAL 43 CO 0.04 0.00 -0.29 0.25 0.02 0.00 0.00 177.57 177.59 1gpu h LEU 44 N -0.17 -0.73 -1.54 2.57 5.85 -0.85 -2.82 115.31 117.61 1gpu h LEU 44 Ca 0.01 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1gpu h LEU 44 Cb 0.17 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1gpu h LEU 44 CO -0.03 -0.47 0.15 -0.50 -0.34 0.00 0.00 178.44 177.25 1gpu h TRP 45 N -0.74 0.44 0.00 1.25 4.06 -1.03 -1.69 115.95 118.25 1gpu h TRP 45 Ca -0.06 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1gpu h TRP 45 Cb 0.60 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.62 1gpu h TRP 45 CO -0.09 0.34 0.00 0.77 -3.56 0.00 0.00 178.44 175.90 1gpu h SER 46 N 0.46 0.00 -0.21 -3.49 0.02 -0.78 -2.59 113.55 106.96 1gpu h SER 46 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1gpu h SER 46 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1gpu h SER 46 CO -0.02 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 1gpu n GLN 47 N -2.88 2.69 -3.03 3.45 -0.00 -0.69 -4.82 117.38 112.11 1gpu n GLN 47 Ca -0.00 -1.79 -0.39 0.00 -0.00 0.00 0.00 57.00 54.81 1gpu n GLN 47 Cb 0.21 -1.17 -0.06 0.00 -0.00 0.00 0.00 30.24 29.22 1gpu n GLN 47 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1gpu s MET 48 N -0.97 4.51 -0.47 2.61 -1.94 -0.90 -5.02 119.30 117.12 1gpu s MET 48 Ca 0.15 1.09 -0.17 0.00 -1.71 0.00 0.00 55.69 55.05 1gpu s MET 48 Cb 0.08 -3.26 0.06 0.00 2.01 0.00 0.00 34.83 33.72 1gpu s MET 48 CO 0.10 0.57 0.46 0.50 -0.01 0.00 0.00 175.02 176.64 1gpu s ARG 49 N -1.11 3.03 0.12 2.03 3.52 -1.26 -4.97 118.95 120.30 1gpu s ARG 49 Ca 0.35 -1.14 -0.13 0.00 -0.13 0.00 0.00 55.73 54.67 1gpu s ARG 49 Cb -0.22 -4.10 0.02 0.00 -1.56 0.00 0.00 34.95 29.09 1gpu s ARG 49 CO 0.25 -1.04 0.33 0.00 -0.81 0.00 0.00 175.30 174.03 1gpu s MET 50 N 1.96 1.01 -0.35 5.12 0.23 -1.26 -0.69 119.30 125.32 1gpu s MET 50 Ca 0.08 -0.82 0.02 0.00 -1.03 0.00 0.00 55.69 53.95 1gpu s MET 50 Cb -0.22 0.43 0.10 0.00 -1.53 0.00 0.00 34.83 33.61 1gpu s MET 50 CO 0.09 -0.38 0.08 1.21 -2.03 0.00 0.00 175.02 173.99 1gpu s ASN 51 N -2.83 4.87 0.61 -1.18 3.84 -1.26 -4.05 114.94 114.92 1gpu s ASN 51 Ca 0.04 -2.08 0.30 0.00 0.21 0.00 0.00 52.86 51.33 1gpu s ASN 51 Cb 0.03 -1.67 1.67 0.00 -0.55 0.00 0.00 41.25 40.72 1gpu s ASN 51 CO -0.11 -0.41 2.05 -0.65 -2.79 0.00 0.00 177.10 175.19 1gpu h PRO 52 N 7.72 0.00 0.00 0.43 0.11 -1.87 0.25 132.00 138.64 1gpu h PRO 52 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1gpu h PRO 52 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1gpu h PRO 52 CO 0.56 0.00 -0.20 2.41 -0.21 0.00 0.00 178.00 180.55 1gpu n THR 53 N -3.61 0.26 -3.22 -1.15 -1.04 -1.26 -4.34 114.28 99.92 1gpu n THR 53 Ca 0.02 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.05 61.67 1gpu n THR 53 Cb 0.39 -0.33 -0.07 0.00 -1.82 0.00 0.00 70.33 68.50 1gpu n THR 53 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1gpu n ASN 54 N -1.86 -1.10 0.14 8.00 4.05 0.85 -4.99 115.26 120.35 1gpu n ASN 54 Ca 0.06 -2.55 0.10 0.00 0.45 0.00 0.00 54.58 52.63 1gpu n ASN 54 Cb 0.39 -0.02 0.50 0.00 1.23 0.00 0.00 39.78 41.88 1gpu n ASN 54 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1gpu n PRO 55 N 2.66 0.12 -0.00 1.20 -0.02 -1.16 -2.00 135.00 135.81 1gpu n PRO 55 Ca 0.26 0.61 0.13 0.00 -2.02 0.00 0.00 63.50 62.47 1gpu n PRO 55 Cb 0.51 -1.89 0.25 0.00 -0.02 0.00 0.00 33.50 32.34 1gpu n PRO 55 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1gpu n ASP 56 N -2.15 2.48 -4.63 2.55 8.00 -1.26 -4.78 116.55 116.76 1gpu n ASP 56 Ca -0.01 -1.83 -0.54 0.00 0.71 0.00 0.00 54.79 53.13 1gpu n ASP 56 Cb 0.04 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 1gpu n ASP 56 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1gpu n TRP 57 N 0.94 2.00 -0.14 1.24 -0.00 -0.85 -4.82 117.44 115.82 1gpu n TRP 57 Ca 0.16 0.35 0.12 0.00 -0.00 0.00 0.00 57.50 58.13 1gpu n TRP 57 Cb 0.52 -2.52 0.47 0.00 -0.00 0.00 0.00 31.31 29.77 1gpu n TRP 57 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 1gpu h ILE 58 N 5.79 0.88 -0.52 5.87 6.09 -1.92 -2.42 117.51 131.28 1gpu h ILE 58 Ca -0.42 -0.16 -0.03 0.00 -1.37 0.00 0.00 64.86 62.88 1gpu h ILE 58 Cb 1.31 0.36 -0.02 0.00 0.47 0.00 0.00 36.82 38.94 1gpu h ILE 58 CO 0.98 0.09 0.04 -3.20 -3.07 0.00 0.00 178.15 172.98 1gpu n ASN 59 N -4.48 4.97 -4.77 2.19 5.15 -1.26 -4.96 115.26 112.09 1gpu n ASN 59 Ca 0.12 -2.84 -0.36 0.00 -0.60 0.00 0.00 54.58 50.90 1gpu n ASN 59 Cb 0.41 -0.67 -0.01 0.00 -0.53 0.00 0.00 39.78 38.98 1gpu n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1gpu s ARG 60 N -2.53 3.71 0.47 1.20 1.70 -0.91 -4.45 118.95 118.13 1gpu s ARG 60 Ca 0.47 1.67 -0.22 0.00 -0.47 0.00 0.00 55.73 57.18 1gpu s ARG 60 Cb 0.36 -2.30 -0.07 0.00 -0.57 0.00 0.00 34.95 32.37 1gpu s ARG 60 CO 0.13 -0.57 1.13 -0.51 -1.08 0.00 0.00 175.30 174.40 1gpu s ASP 61 N -1.53 6.17 0.06 -2.89 1.01 0.13 -4.68 116.67 114.95 1gpu s ASP 61 Ca 0.65 2.20 0.07 0.00 0.71 0.00 0.00 52.55 56.19 1gpu s ASP 61 Cb -0.26 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.05 1gpu s ASP 61 CO 0.31 -0.91 -0.18 -0.13 0.21 0.00 0.00 175.17 174.47 1gpu s ARG 62 N -2.85 2.01 -0.06 8.23 0.52 -0.49 -4.79 118.95 121.52 1gpu s ARG 62 Ca 0.65 -1.03 0.05 0.00 -0.52 0.00 0.00 55.73 54.88 1gpu s ARG 62 Cb -0.25 -2.18 -0.00 0.00 0.52 0.00 0.00 34.95 33.03 1gpu s ARG 62 CO 0.30 0.52 -0.20 0.12 0.02 0.00 0.00 175.30 176.07 1gpu s PHE 63 N -0.99 2.02 -0.09 -0.53 5.36 -1.26 0.02 117.98 122.50 1gpu s PHE 63 Ca 0.16 -0.65 0.02 0.00 -0.96 0.00 0.00 56.93 55.49 1gpu s PHE 63 Cb -0.11 -1.36 0.02 0.00 -0.34 0.00 0.00 43.02 41.23 1gpu s PHE 63 CO 0.07 -0.23 -0.13 0.08 -1.46 0.00 0.00 175.22 173.54 1gpu s VAL 64 N 0.10 1.30 -0.83 3.12 1.01 0.19 -4.39 120.40 120.89 1gpu s VAL 64 Ca -0.07 -0.53 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 1gpu s VAL 64 Cb -0.14 -1.20 0.16 0.00 0.00 0.00 0.00 36.38 35.20 1gpu s VAL 64 CO 0.04 0.40 0.91 -0.22 0.00 0.00 0.00 175.10 176.23 1gpu s LEU 65 N 1.00 5.76 0.34 3.92 2.96 -1.26 -1.21 118.68 130.19 1gpu s LEU 65 Ca -0.07 -2.18 0.11 0.00 -0.22 0.00 0.00 54.13 51.77 1gpu s LEU 65 Cb -0.15 -2.31 0.61 0.00 0.50 0.00 0.00 46.19 44.84 1gpu s LEU 65 CO -0.01 -0.89 1.77 -1.28 -1.32 0.00 0.00 176.35 174.62 1gpu h SER 66 N 8.50 0.07 -1.76 3.68 0.87 -0.99 -3.11 113.55 120.81 1gpu h SER 66 Ca 0.05 -0.03 -0.76 0.00 -1.23 0.00 0.00 61.79 59.82 1gpu h SER 66 Cb 1.04 -0.02 -0.18 0.00 -0.44 0.00 0.00 62.40 62.81 1gpu h SER 66 CO 0.97 0.47 1.72 -0.46 -0.53 0.00 0.00 176.83 179.01 1gpu n ASN 67 N -4.05 5.29 -0.25 6.23 2.04 -1.21 -4.54 115.26 118.77 1gpu n ASN 67 Ca -0.02 -3.13 0.27 0.00 -0.44 0.00 0.00 54.58 51.27 1gpu n ASN 67 Cb 0.45 -1.46 0.65 0.00 -2.53 0.00 0.00 39.78 36.89 1gpu n ASN 67 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1gpu h GLY 68 N 7.83 0.38 1.91 4.83 0.00 -1.85 -1.58 103.07 114.59 1gpu h GLY 68 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1gpu h GLY 68 CO 1.51 -0.03 0.04 1.12 0.00 0.00 0.00 176.54 179.19 1gpu h HIS 69 N 0.14 0.00 -0.16 5.60 2.07 -1.87 -0.22 115.15 120.72 1gpu h HIS 69 Ca 0.50 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 58.01 1gpu h HIS 69 Cb 1.71 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.69 1gpu h HIS 69 CO -0.00 0.00 0.01 0.00 -3.07 0.00 0.00 177.93 174.87 1gpu n ALA 70 N -2.01 2.89 0.10 6.11 0.00 -0.60 -4.25 120.51 122.76 1gpu n ALA 70 Ca -0.03 -0.52 0.20 0.00 0.00 0.00 0.00 53.44 53.10 1gpu n ALA 70 Cb 0.10 -1.04 0.75 0.00 0.00 0.00 0.00 19.45 19.27 1gpu n ALA 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1gpu h VAL 71 N 1.03 0.39 -0.14 0.00 3.04 -1.25 -0.58 116.25 118.74 1gpu h VAL 71 Ca 0.01 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.73 1gpu h VAL 71 Cb 0.92 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.86 1gpu h VAL 71 CO 0.14 0.00 0.10 0.00 -1.01 0.00 0.00 177.57 176.80 1gpu h ALA 72 N 1.53 2.11 -0.24 3.17 0.00 -1.86 0.65 119.26 124.63 1gpu h ALA 72 Ca 0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1gpu h ALA 72 Cb 1.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1gpu h ALA 72 CO -0.00 -0.14 -0.26 1.25 0.00 0.00 0.00 179.25 180.10 1gpu h LEU 73 N 0.02 0.63 -0.33 0.00 5.85 -1.45 -1.97 115.31 118.06 1gpu h LEU 73 Ca 0.06 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 1gpu h LEU 73 Cb 0.23 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1gpu h LEU 73 CO -0.00 0.99 0.10 0.25 -0.34 0.00 0.00 178.44 179.43 1gpu h LEU 74 N 0.29 0.49 -1.21 2.25 5.85 -1.22 -1.23 115.31 120.54 1gpu h LEU 74 Ca 0.04 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1gpu h LEU 74 Cb 0.82 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1gpu h LEU 74 CO 0.06 0.58 0.30 1.88 -0.34 0.00 0.00 178.44 180.92 1gpu h TYR 75 N 0.39 0.84 -0.26 1.25 0.05 -0.95 0.12 116.97 118.41 1gpu h TYR 75 Ca 0.11 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1gpu h TYR 75 Cb 0.27 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 1gpu h TYR 75 CO 0.01 0.61 0.07 0.77 -1.05 0.00 0.00 178.16 178.57 1gpu h SER 76 N 0.85 0.38 -0.47 3.88 0.02 -1.07 -1.59 113.55 115.56 1gpu h SER 76 Ca 0.21 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1gpu h SER 76 Cb 0.07 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1gpu h SER 76 CO -0.03 0.49 0.12 0.24 -1.14 0.00 0.00 176.83 176.51 1gpu h MET 77 N 0.25 0.75 -0.34 3.45 2.86 -0.79 0.03 114.93 121.13 1gpu h MET 77 Ca 0.08 -0.18 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1gpu h MET 77 Cb 0.25 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1gpu h MET 77 CO -0.00 0.73 0.14 -0.07 1.06 0.00 0.00 176.91 178.77 1gpu h LEU 78 N 0.63 0.18 0.17 1.22 3.38 -0.88 -0.80 115.31 119.20 1gpu h LEU 78 Ca 0.15 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1gpu h LEU 78 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1gpu h LEU 78 CO 0.00 0.14 -0.08 -0.74 0.09 0.00 0.00 178.44 177.85 1gpu h HIS 79 N 0.30 -0.21 -0.37 1.13 2.76 -1.11 -0.90 115.15 116.75 1gpu h HIS 79 Ca 0.15 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1gpu h HIS 79 Cb 0.10 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1gpu h HIS 79 CO -0.12 0.06 0.24 -0.07 -1.30 0.00 0.00 177.93 176.74 1gpu h LEU 80 N -0.46 0.43 -1.13 0.26 3.38 -0.86 -2.94 115.31 113.99 1gpu h LEU 80 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1gpu h LEU 80 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1gpu h LEU 80 CO 0.04 0.32 0.00 0.35 0.09 0.00 0.00 178.44 179.23 1gpu n THR 81 N -4.48 0.15 0.00 0.22 -2.24 -0.32 -4.81 114.28 102.80 1gpu n THR 81 Ca 0.03 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1gpu n THR 81 Cb 0.06 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1gpu n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gpu n GLY 82 N 1.16 1.02 3.82 3.38 0.00 -1.11 -4.46 105.19 109.01 1gpu n GLY 82 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1gpu n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gpu s TYR 83 N -2.00 3.00 -1.27 1.61 1.51 -0.35 -4.52 117.35 115.33 1gpu s TYR 83 Ca 0.00 1.18 -0.16 0.00 -1.01 0.00 0.00 57.07 57.08 1gpu s TYR 83 Cb 0.00 -3.06 -0.02 0.00 -0.11 0.00 0.00 41.96 38.77 1gpu s TYR 83 CO 0.00 -1.54 2.19 -3.47 -1.11 0.00 0.00 175.55 171.62 1gpu n ASP 84 N -3.28 3.84 -3.67 2.29 2.03 -1.26 -4.70 116.55 111.80 1gpu n ASP 84 Ca 0.07 -2.77 -0.14 0.00 0.52 0.00 0.00 54.79 52.47 1gpu n ASP 84 Cb 0.56 -1.49 -0.14 0.00 -0.72 0.00 0.00 41.12 39.33 1gpu n ASP 84 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1gpu s LEU 85 N 1.74 -0.13 0.51 -2.67 2.96 -1.26 -5.00 118.68 114.83 1gpu s LEU 85 Ca 0.51 0.50 0.05 0.00 -0.22 0.00 0.00 54.13 54.97 1gpu s LEU 85 Cb 0.14 0.57 0.04 0.00 0.50 0.00 0.00 46.19 47.44 1gpu s LEU 85 CO -0.03 -0.23 0.71 -0.94 -1.32 0.00 0.00 176.35 174.53 1gpu s SER 86 N 2.22 5.34 0.30 3.68 1.04 -1.26 -4.40 113.70 120.61 1gpu s SER 86 Ca 0.00 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 1gpu s SER 86 Cb -0.12 -0.56 0.46 0.00 0.10 0.00 0.00 66.02 65.91 1gpu s SER 86 CO -0.08 -1.06 1.86 0.40 0.98 0.00 0.00 173.24 175.34 1gpu h ILE 87 N 0.28 1.21 -0.85 -1.02 1.08 -1.99 -1.38 117.51 114.84 1gpu h ILE 87 Ca -0.39 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.35 1gpu h ILE 87 Cb 1.29 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 1gpu h ILE 87 CO 0.47 0.28 0.51 -0.08 -0.69 0.00 0.00 178.15 178.63 1gpu h GLU 88 N 0.78 1.16 -0.60 2.37 4.57 -1.97 0.17 114.58 121.06 1gpu h GLU 88 Ca 0.18 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1gpu h GLU 88 Cb 0.23 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1gpu h GLU 88 CO -0.01 0.81 0.39 -0.44 -1.18 0.00 0.00 179.01 178.58 1gpu h ASP 89 N 1.18 0.67 -0.03 1.04 3.32 -1.65 -0.86 116.42 120.09 1gpu h ASP 89 Ca 0.31 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 1gpu h ASP 89 Cb -0.05 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1gpu h ASP 89 CO -0.06 0.49 -0.10 -0.07 -1.72 0.00 0.00 179.24 177.78 1gpu h LEU 90 N 0.80 0.28 0.00 1.55 3.38 -0.62 -1.00 115.31 119.70 1gpu h LEU 90 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1gpu h LEU 90 Cb -0.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1gpu h LEU 90 CO -0.05 0.42 0.00 0.29 0.09 0.00 0.00 178.44 179.19 1gpu n LYS 91 N -4.28 0.25 -0.31 1.13 5.02 0.47 -2.14 118.16 118.31 1gpu n LYS 91 Ca -0.00 0.11 0.08 0.00 -2.02 0.00 0.00 58.31 56.49 1gpu n LYS 91 Cb 0.26 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 33.98 1gpu n LYS 91 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1gpu n GLN 92 N -1.29 2.16 -1.65 1.97 1.13 -0.38 -4.90 117.38 114.41 1gpu n GLN 92 Ca 0.09 -2.77 -0.47 0.00 -1.94 0.00 0.00 57.00 51.91 1gpu n GLN 92 Cb 0.15 -1.70 -0.04 0.00 0.11 0.00 0.00 30.24 28.76 1gpu n GLN 92 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1gpu n PHE 93 N -0.94 2.05 -1.63 1.08 7.35 -0.91 -1.87 117.46 122.60 1gpu n PHE 93 Ca 0.20 0.40 -0.19 0.00 -0.76 0.00 0.00 57.45 57.10 1gpu n PHE 93 Cb 0.79 -2.47 -0.07 0.00 0.35 0.00 0.00 39.48 38.08 1gpu n PHE 93 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1gpu n ARG 94 N 2.76 -1.34 -4.20 -4.13 1.74 0.33 -4.66 116.66 107.16 1gpu n ARG 94 Ca 0.16 1.15 -0.34 0.00 -0.77 0.00 0.00 57.85 58.04 1gpu n ARG 94 Cb 0.28 -5.47 -0.08 0.00 -1.02 0.00 0.00 32.46 26.16 1gpu n ARG 94 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1gpu s GLN 95 N -3.74 3.04 -0.35 5.56 -1.52 -0.78 -4.88 119.66 117.00 1gpu s GLN 95 Ca 0.00 -0.43 -0.42 0.00 -1.95 0.00 0.00 55.36 52.56 1gpu s GLN 95 Cb 0.00 -2.85 -0.17 0.00 -0.22 0.00 0.00 33.01 29.77 1gpu s GLN 95 CO 0.00 0.68 1.72 -0.11 -0.25 0.00 0.00 175.29 177.33 1gpu n LEU 96 N 1.67 2.05 0.00 2.90 7.94 -1.26 -1.17 117.00 129.13 1gpu n LEU 96 Ca -0.16 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1gpu n LEU 96 Cb 0.53 -1.07 0.00 0.00 0.53 0.00 0.00 43.42 43.42 1gpu n LEU 96 CO 0.33 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.67 1gpu n GLY 97 N 4.22 0.88 3.85 -3.96 0.00 -1.26 -5.04 105.19 103.88 1gpu n GLY 97 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 1gpu n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gpu s SER 98 N -2.85 4.48 0.00 1.61 1.04 -0.32 -4.94 113.70 112.72 1gpu s SER 98 Ca 0.00 0.99 0.24 0.00 0.48 0.00 0.00 55.95 57.65 1gpu s SER 98 Cb 0.00 -1.61 0.99 0.00 0.10 0.00 0.00 66.02 65.51 1gpu s SER 98 CO 0.00 -1.94 1.69 0.54 0.98 0.00 0.00 173.24 174.51 1gpu n ARG 99 N -3.37 1.54 -3.36 4.02 1.74 -1.26 -4.37 116.66 111.59 1gpu n ARG 99 Ca 0.07 -0.81 -0.26 0.00 -0.77 0.00 0.00 57.85 56.08 1gpu n ARG 99 Cb 0.59 -1.42 -0.08 0.00 -1.02 0.00 0.00 32.46 30.54 1gpu n ARG 99 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1gpu n THR 100 N 0.01 1.84 -1.17 0.55 -2.24 -1.26 -4.97 114.28 107.04 1gpu n THR 100 Ca 0.17 -5.02 -0.30 0.00 -2.27 0.00 0.00 64.05 56.63 1gpu n THR 100 Cb 0.28 -2.04 0.12 0.00 -2.10 0.00 0.00 70.33 66.59 1gpu n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1gpu s PRO 101 N -2.29 1.60 0.51 -0.78 0.04 -1.26 -0.51 135.00 132.32 1gpu s PRO 101 Ca 0.39 1.03 0.22 0.00 0.04 0.00 0.00 61.00 62.68 1gpu s PRO 101 Cb 0.16 -1.83 1.18 0.00 0.04 0.00 0.00 34.50 34.05 1gpu s PRO 101 CO -0.03 -2.06 1.62 0.78 0.04 0.00 0.00 177.00 177.35 1gpu h GLY 102 N -1.42 0.00 -4.76 0.56 0.00 -1.94 -3.41 103.07 92.10 1gpu h GLY 102 Ca -0.47 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.71 1gpu h GLY 102 CO 0.52 0.00 -0.61 0.30 0.00 0.00 0.00 176.54 176.75 1gpu s HIS 103 N -3.75 0.18 0.23 5.60 3.76 -1.26 -4.78 115.29 115.27 1gpu s HIS 103 Ca -0.02 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.17 1gpu s HIS 103 Cb 0.06 -0.14 -0.12 0.00 1.11 0.00 0.00 32.58 33.50 1gpu s HIS 103 CO 0.20 -0.25 1.67 -2.14 -0.85 0.00 0.00 174.74 173.37 1gpu s PRO 104 N -1.61 4.13 -0.10 8.40 0.02 -1.26 -4.93 135.00 139.65 1gpu s PRO 104 Ca -0.14 2.58 0.02 0.00 0.02 0.00 0.00 61.00 63.49 1gpu s PRO 104 Cb -0.08 -3.06 -0.01 0.00 0.02 0.00 0.00 34.50 31.36 1gpu s PRO 104 CO -0.01 -0.71 -0.17 -1.21 -0.33 0.00 0.00 177.00 174.58 1gpu s GLU 105 N 0.65 3.04 0.43 5.54 2.02 -1.26 -2.08 118.70 127.04 1gpu s GLU 105 Ca 0.71 -0.75 0.26 0.00 0.02 0.00 0.00 54.97 55.21 1gpu s GLU 105 Cb -0.49 -2.47 1.30 0.00 0.10 0.00 0.00 34.13 32.58 1gpu s GLU 105 CO 0.37 0.32 1.70 0.35 0.02 0.00 0.00 175.26 178.02 1gpu h PHE 106 N 6.33 0.53 -0.44 1.61 3.57 -1.81 -1.91 116.94 124.81 1gpu h PHE 106 Ca -0.30 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.29 1gpu h PHE 106 Cb 1.20 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1gpu h PHE 106 CO 0.49 -0.07 0.30 1.49 -2.23 0.00 0.00 178.31 178.28 1gpu h GLU 107 N 0.21 0.32 -6.53 1.11 4.81 -1.88 -3.43 114.58 109.19 1gpu h GLU 107 Ca 0.71 -0.02 -0.53 0.00 -0.13 0.00 0.00 59.36 59.39 1gpu h GLU 107 Cb 2.11 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.43 1gpu h GLU 107 CO -0.33 0.21 0.53 -1.17 -0.73 0.00 0.00 179.01 177.53 1gpu s LEU 108 N -9.27 4.40 0.25 1.64 2.96 -0.72 -4.97 118.68 112.97 1gpu s LEU 108 Ca -0.07 2.04 -0.31 0.00 -0.22 0.00 0.00 54.13 55.57 1gpu s LEU 108 Cb 0.19 -3.59 -0.11 0.00 0.50 0.00 0.00 46.19 43.18 1gpu s LEU 108 CO 0.73 -0.40 1.60 -2.84 -1.32 0.00 0.00 176.35 174.12 1gpu s PRO 109 N 0.63 4.15 0.00 0.98 0.02 -1.26 -1.49 135.00 138.03 1gpu s PRO 109 Ca 0.56 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.10 1gpu s PRO 109 Cb -0.29 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1gpu s PRO 109 CO 0.31 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1gpu n GLY 110 N 2.86 2.72 3.51 0.52 0.00 -1.26 -4.90 105.19 108.64 1gpu n GLY 110 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1gpu n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gpu s VAL 111 N -2.76 5.25 -0.00 1.61 1.01 -0.55 -4.95 120.40 120.00 1gpu s VAL 111 Ca 0.00 -0.32 0.22 0.00 0.00 0.00 0.00 61.98 61.88 1gpu s VAL 111 Cb 0.00 -3.82 0.21 0.00 0.00 0.00 0.00 36.38 32.77 1gpu s VAL 111 CO 0.00 -0.14 1.71 -0.33 0.00 0.00 0.00 175.10 176.34 1gpu h GLU 112 N 8.54 0.00 -2.73 2.72 4.39 -1.85 -3.42 114.58 122.23 1gpu h GLU 112 Ca -0.29 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.47 1gpu h GLU 112 Cb 1.14 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.69 1gpu h GLU 112 CO 0.68 0.27 0.32 0.14 -1.16 0.00 0.00 179.01 179.26 1gpu s VAL 113 N -3.43 0.00 -0.11 3.13 -7.23 -1.26 -4.90 120.40 106.61 1gpu s VAL 113 Ca 0.02 -0.41 -0.24 0.00 -1.81 0.00 0.00 61.98 59.54 1gpu s VAL 113 Cb 0.09 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 1gpu s VAL 113 CO 0.66 0.00 0.72 -0.89 -0.31 0.00 0.00 175.10 175.29 1gpu s THR 114 N -3.58 5.00 0.48 5.32 2.01 -1.26 -3.98 115.64 119.63 1gpu s THR 114 Ca 0.07 1.46 0.02 0.00 0.31 0.00 0.00 61.69 63.55 1gpu s THR 114 Cb -0.02 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 1gpu s THR 114 CO -0.04 0.18 0.07 0.42 -0.69 0.00 0.00 174.62 174.57 1gpu s THR 115 N 1.25 0.76 0.00 -0.82 -4.23 -0.88 -4.82 115.64 106.89 1gpu s THR 115 Ca 0.37 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1gpu s THR 115 Cb -0.17 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1gpu s THR 115 CO 0.16 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1gpu n GLY 116 N -1.16 3.92 3.62 3.99 0.00 -1.26 -4.15 105.19 110.15 1gpu n GLY 116 Ca -0.15 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 1gpu n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gpu s PRO 117 N 0.00 3.89 0.40 1.61 0.02 -1.26 -4.79 135.00 134.87 1gpu s PRO 117 Ca 0.00 0.99 -0.25 0.00 0.02 0.00 0.00 61.00 61.76 1gpu s PRO 117 Cb 0.00 -3.85 -0.11 0.00 0.02 0.00 0.00 34.50 30.57 1gpu s PRO 117 CO 0.00 -1.14 1.12 1.28 -0.33 0.00 0.00 177.00 177.92 1gpu n LEU 118 N 7.51 3.09 0.00 -5.54 4.77 -1.26 -2.96 117.00 122.61 1gpu n LEU 118 Ca 0.13 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1gpu n LEU 118 Cb 0.47 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1gpu n LEU 118 CO 0.64 -1.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1gpu n GLY 119 N 1.03 3.17 0.10 -0.72 0.00 -1.26 -4.91 105.19 102.61 1gpu n GLY 119 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1gpu n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gpu h GLN 120 N 2.08 0.22 -0.17 1.61 1.08 -1.85 -3.16 115.11 114.93 1gpu h GLN 120 Ca 0.00 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.13 1gpu h GLN 120 Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 1gpu h GLN 120 CO 0.00 0.65 -0.17 0.78 -0.95 0.00 0.00 178.83 179.13 1gpu h GLY 121 N -0.19 -0.08 1.27 3.46 0.00 -1.80 0.23 103.07 105.95 1gpu h GLY 121 Ca 0.01 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1gpu h GLY 121 CO 0.02 -0.17 0.39 1.19 0.00 0.00 0.00 176.54 177.97 1gpu h ILE 122 N -0.20 1.21 -0.47 2.60 6.09 -1.89 -0.45 117.51 124.40 1gpu h ILE 122 Ca 0.11 -0.51 -0.13 0.00 -1.37 0.00 0.00 64.86 62.96 1gpu h ILE 122 Cb 0.36 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 37.89 1gpu h ILE 122 CO -0.29 0.23 -0.21 0.28 -3.07 0.00 0.00 178.15 175.09 1gpu h SER 123 N 0.98 0.97 -0.70 2.19 0.02 -1.32 -2.27 113.55 113.41 1gpu h SER 123 Ca 0.25 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1gpu h SER 123 Cb 0.02 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1gpu h SER 123 CO -0.04 1.14 0.40 0.78 -1.14 0.00 0.00 176.83 177.97 1gpu h ASN 124 N 0.82 0.86 -0.85 3.07 -0.26 0.07 -2.50 115.58 116.79 1gpu h ASN 124 Ca 0.11 -0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1gpu h ASN 124 Cb 0.77 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.77 1gpu h ASN 124 CO 0.06 0.68 0.56 0.00 -1.06 0.00 0.00 177.43 177.68 1gpu h ALA 125 N 1.21 1.39 -0.86 -0.83 0.00 -0.79 -0.55 119.26 118.82 1gpu h ALA 125 Ca 0.25 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1gpu h ALA 125 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 1gpu h ALA 125 CO -0.04 0.57 0.57 0.28 0.00 0.00 0.00 179.25 180.62 1gpu h VAL 126 N 1.16 1.20 -0.55 0.00 2.07 -0.97 -0.57 116.25 118.58 1gpu h VAL 126 Ca 0.31 -0.39 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1gpu h VAL 126 Cb -0.13 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.57 1gpu h VAL 126 CO -0.07 0.21 -0.02 1.23 0.02 0.00 0.00 177.57 178.94 1gpu h GLY 127 N 1.15 1.04 1.03 2.17 0.00 -0.97 -1.51 103.07 105.98 1gpu h GLY 127 Ca 0.32 -0.76 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1gpu h GLY 127 CO -0.08 0.70 0.34 -0.33 0.00 0.00 0.00 176.54 177.17 1gpu h MET 128 N 0.88 1.12 -0.28 4.80 2.86 -0.41 -0.52 114.93 123.39 1gpu h MET 128 Ca 0.16 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1gpu h MET 128 Cb 0.55 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1gpu h MET 128 CO 0.03 0.89 -0.29 0.00 1.06 0.00 0.00 176.91 178.61 1gpu h ALA 129 N 1.17 0.99 -0.43 6.32 0.00 -0.88 -1.31 119.26 125.11 1gpu h ALA 129 Ca 0.26 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1gpu h ALA 129 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1gpu h ALA 129 CO -0.03 0.60 -0.06 0.52 0.00 0.00 0.00 179.25 180.28 1gpu h MET 130 N 0.48 0.81 -0.57 0.00 2.86 -0.86 -1.55 114.93 116.11 1gpu h MET 130 Ca 0.06 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1gpu h MET 130 Cb 0.74 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.32 1gpu h MET 130 CO 0.06 0.91 0.29 0.00 1.06 0.00 0.00 176.91 179.22 1gpu h ALA 131 N 0.88 0.73 -0.59 6.32 0.00 -0.86 -1.64 119.26 124.09 1gpu h ALA 131 Ca 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gpu h ALA 131 Cb 0.58 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1gpu h ALA 131 CO 0.03 0.27 0.33 0.37 0.00 0.00 0.00 179.25 180.26 1gpu h GLN 132 N 0.77 0.83 -0.87 0.00 -0.00 -1.11 0.18 115.11 114.90 1gpu h GLN 132 Ca 0.20 -0.09 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 1gpu h GLN 132 Cb 0.09 -0.16 -0.04 0.00 0.00 0.00 0.00 27.48 27.36 1gpu h GLN 132 CO -0.03 0.63 0.51 0.00 0.00 0.00 0.00 178.83 179.94 1gpu h ALA 133 N 1.15 1.11 -0.21 3.38 0.00 -0.94 -1.18 119.26 122.58 1gpu h ALA 133 Ca 0.21 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1gpu h ALA 133 Cb 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1gpu h ALA 133 CO -0.03 0.59 -0.43 -0.97 0.00 0.00 0.00 179.25 178.40 1gpu h ASN 134 N 1.20 0.73 -0.63 0.00 -0.73 -0.98 -1.68 115.58 113.49 1gpu h ASN 134 Ca 0.31 -0.55 0.02 0.00 1.87 0.00 0.00 56.30 57.94 1gpu h ASN 134 Cb -0.02 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.32 1gpu h ASN 134 CO -0.06 1.15 0.40 0.25 -0.37 0.00 0.00 177.43 178.81 1gpu h LEU 135 N 0.35 0.68 -0.22 0.34 5.85 -0.72 0.12 115.31 121.71 1gpu h LEU 135 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1gpu h LEU 135 Cb 1.03 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1gpu h LEU 135 CO 0.09 0.49 0.03 0.00 -0.34 0.00 0.00 178.44 178.72 1gpu h ALA 136 N 1.25 0.30 0.00 1.25 0.00 -1.21 0.47 119.26 121.31 1gpu h ALA 136 Ca 0.24 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1gpu h ALA 136 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1gpu h ALA 136 CO -0.07 -0.02 -0.21 0.00 0.00 0.00 0.00 179.25 178.94 1gpu h ALA 137 N 0.84 1.51 0.18 0.00 0.00 -1.00 -0.95 119.26 119.84 1gpu h ALA 137 Ca 0.07 -0.19 -0.35 0.00 0.00 0.00 0.00 54.91 54.44 1gpu h ALA 137 Cb 0.33 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1gpu h ALA 137 CO 0.00 0.27 -1.74 1.15 0.00 0.00 0.00 179.25 178.93 1gpu h THR 138 N 0.00 0.94 0.00 0.00 2.02 -0.51 -3.43 112.91 111.93 1gpu h THR 138 Ca -0.00 -2.53 -0.05 0.00 0.77 0.00 0.00 66.41 64.59 1gpu h THR 138 Cb 0.41 2.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1gpu h THR 138 CO 0.03 0.85 -1.51 -1.22 0.37 0.00 0.00 175.52 174.04 1gpu n TYR 139 N -3.57 0.00 -1.80 3.16 4.01 0.13 -5.02 117.16 114.07 1gpu n TYR 139 Ca -0.24 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.11 1gpu n TYR 139 Cb 1.07 -0.30 0.03 0.00 -0.31 0.00 0.00 39.34 39.83 1gpu n TYR 139 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1gpu s ASN 140 N -3.45 5.59 0.10 7.72 0.01 -0.37 -4.87 114.94 119.68 1gpu s ASN 140 Ca -0.04 2.84 -0.03 0.00 -0.71 0.00 0.00 52.86 54.92 1gpu s ASN 140 Cb 0.05 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.04 1gpu s ASN 140 CO 0.40 -1.36 0.08 -0.54 -1.51 0.00 0.00 177.10 174.17 1gpu s LYS 141 N -2.67 0.83 0.05 -0.60 -0.14 -0.62 -4.96 119.74 111.63 1gpu s LYS 141 Ca 0.66 -1.25 -0.35 0.00 -1.36 0.00 0.00 55.97 53.67 1gpu s LYS 141 Cb -0.42 0.27 -0.14 0.00 -1.68 0.00 0.00 37.83 35.85 1gpu s LYS 141 CO 0.52 -0.23 1.59 -2.30 -0.76 0.00 0.00 175.35 174.17 1gpu n PRO 142 N -0.03 1.80 -0.81 -1.68 -0.02 -1.26 0.50 135.00 133.50 1gpu n PRO 142 Ca -0.10 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1gpu n PRO 142 Cb 0.62 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1gpu n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gpu n GLY 143 N 3.46 1.15 2.56 -1.23 0.00 -1.26 -4.93 105.19 104.95 1gpu n GLY 143 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1gpu n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gpu n PHE 144 N -2.00 0.61 -2.95 1.61 3.72 0.18 -5.03 117.46 113.60 1gpu n PHE 144 Ca 0.00 -3.68 -0.44 0.00 -0.05 0.00 0.00 57.45 53.28 1gpu n PHE 144 Cb 0.00 -0.08 -0.01 0.00 -0.94 0.00 0.00 39.48 38.45 1gpu n PHE 144 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1gpu s THR 145 N -0.57 4.93 0.16 4.37 2.01 -1.26 -1.59 115.64 123.68 1gpu s THR 145 Ca 0.31 -2.16 0.12 0.00 0.31 0.00 0.00 61.69 60.27 1gpu s THR 145 Cb 0.02 -4.83 -0.03 0.00 0.01 0.00 0.00 72.50 67.67 1gpu s THR 145 CO -0.18 -1.55 1.53 -0.07 -0.69 0.00 0.00 174.62 173.66 1gpu h LEU 146 N 9.93 0.00 -7.79 4.42 3.38 -1.91 -3.44 115.31 119.90 1gpu h LEU 146 Ca 0.23 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.68 1gpu h LEU 146 Cb 0.95 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.34 1gpu h LEU 146 CO 1.16 0.66 -0.81 -0.55 0.09 0.00 0.00 178.44 178.99 1gpu s SER 147 N -6.68 2.04 0.00 -0.43 0.15 -1.26 -4.74 113.70 102.78 1gpu s SER 147 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1gpu s SER 147 Cb 0.11 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 1gpu s SER 147 CO 0.76 -0.07 0.45 -0.90 1.20 0.00 0.00 173.24 174.68 1gpu n ASP 148 N 4.58 -0.15 -4.77 5.45 5.75 -1.26 -4.66 116.55 121.49 1gpu n ASP 148 Ca -0.16 -0.90 -0.30 0.00 -0.01 0.00 0.00 54.79 53.41 1gpu n ASP 148 Cb 0.51 0.04 0.09 0.00 -1.03 0.00 0.00 41.12 40.73 1gpu n ASP 148 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1gpu s ASN 149 N -0.15 4.45 0.25 -1.12 4.22 -1.26 -5.06 114.94 116.27 1gpu s ASN 149 Ca 0.00 1.60 0.06 0.00 -2.14 0.00 0.00 52.86 52.38 1gpu s ASN 149 Cb 0.00 -2.34 -0.03 0.00 1.28 0.00 0.00 41.25 40.16 1gpu s ASN 149 CO 0.00 -2.04 0.26 -0.31 -2.04 0.00 0.00 177.10 172.97 1gpu s TYR 150 N -2.99 3.24 -0.22 1.54 2.02 -1.26 -4.95 117.35 114.73 1gpu s TYR 150 Ca 0.61 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.25 1gpu s TYR 150 Cb -0.16 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 39.98 1gpu s TYR 150 CO 0.56 0.49 -0.12 0.99 -1.57 0.00 0.00 175.55 175.90 1gpu s THR 151 N -2.07 1.88 -0.06 -0.71 2.01 -0.11 -1.40 115.64 115.19 1gpu s THR 151 Ca 0.33 -1.21 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 1gpu s THR 151 Cb -0.08 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.47 1gpu s THR 151 CO 0.26 0.16 0.02 -0.31 -0.69 0.00 0.00 174.62 174.07 1gpu s TYR 152 N 1.28 3.20 -0.00 4.92 2.02 0.10 -0.81 117.35 128.06 1gpu s TYR 152 Ca -0.03 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 56.88 1gpu s TYR 152 Cb -0.17 -1.77 -0.00 0.00 -0.40 0.00 0.00 41.96 39.62 1gpu s TYR 152 CO -0.08 0.50 -0.01 0.08 -1.57 0.00 0.00 175.55 174.47 1gpu s VAL 153 N -0.98 0.10 -0.12 0.71 1.01 -0.41 -0.64 120.40 120.07 1gpu s VAL 153 Ca 0.16 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1gpu s VAL 153 Cb -0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.14 1gpu s VAL 153 CO 0.06 0.02 -0.04 -0.36 0.00 0.00 0.00 175.10 174.78 1gpu s PHE 154 N -0.04 3.03 0.14 5.22 0.40 -0.35 0.06 117.98 126.44 1gpu s PHE 154 Ca 0.00 -0.11 -0.12 0.00 -0.60 0.00 0.00 56.93 56.10 1gpu s PHE 154 Cb -0.01 -1.86 0.01 0.00 0.51 0.00 0.00 43.02 41.68 1gpu s PHE 154 CO -0.00 0.16 0.33 -0.48 0.70 0.00 0.00 175.22 175.94 1gpu s LEU 155 N -0.20 0.78 0.00 -0.37 2.34 -0.78 -0.30 118.68 120.14 1gpu s LEU 155 Ca 0.04 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 53.63 1gpu s LEU 155 Cb -0.13 1.49 0.00 0.00 -0.56 0.00 0.00 46.19 47.00 1gpu s LEU 155 CO 0.02 -0.87 0.00 0.61 -1.06 0.00 0.00 176.35 175.06 1gpu n GLY 156 N -0.20 5.15 0.30 -3.48 0.00 -1.26 -0.69 105.19 105.02 1gpu n GLY 156 Ca -0.12 -2.04 0.02 0.00 0.00 0.00 0.00 46.02 43.87 1gpu n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gpu h ASP 157 N 0.00 0.56 -0.29 1.61 3.32 -1.89 -2.67 116.42 117.06 1gpu h ASP 157 Ca 0.00 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.02 1gpu h ASP 157 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1gpu h ASP 157 CO 0.00 0.49 0.14 1.23 -1.72 0.00 0.00 179.24 179.38 1gpu h GLY 158 N 0.75 0.39 1.28 2.75 0.00 -1.96 -1.90 103.07 104.38 1gpu h GLY 158 Ca 0.16 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 1gpu h GLY 158 CO -0.02 0.08 0.02 0.00 0.00 0.00 0.00 176.54 176.61 1gpu h LEU 160 N 0.81 0.00 0.00 0.00 3.38 -1.13 -2.93 115.31 115.44 1gpu h LEU 160 Ca 0.16 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.98 1gpu h LEU 160 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1gpu h LEU 160 CO 0.02 0.05 -1.31 1.56 0.09 0.00 0.00 178.44 178.85 1gpu h GLN 161 N 0.00 0.00 -6.43 1.13 4.20 -0.94 -3.46 115.11 109.62 1gpu h GLN 161 Ca -0.00 0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1gpu h GLN 161 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1gpu h GLN 161 CO 0.01 0.29 0.76 -1.21 -0.67 0.00 0.00 178.83 178.00 1gpu s GLU 162 N -2.95 4.32 0.48 1.46 0.41 -1.11 -4.91 118.70 116.39 1gpu s GLU 162 Ca -0.02 1.95 0.26 0.00 -0.41 0.00 0.00 54.97 56.75 1gpu s GLU 162 Cb 0.09 -3.46 1.31 0.00 -1.78 0.00 0.00 34.13 30.29 1gpu s GLU 162 CO 0.80 -0.49 1.83 0.78 -0.49 0.00 0.00 175.26 177.69 1gpu h GLY 163 N 7.74 0.52 1.02 -1.39 0.00 -1.89 -1.50 103.07 107.57 1gpu h GLY 163 Ca -0.39 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 46.90 1gpu h GLY 163 CO 0.88 -0.04 0.51 1.19 0.00 0.00 0.00 176.54 179.07 1gpu h ILE 164 N 0.19 1.05 0.00 2.60 2.10 -1.91 -1.29 117.51 120.26 1gpu h ILE 164 Ca 0.52 -0.29 -0.10 0.00 1.08 0.00 0.00 64.86 66.06 1gpu h ILE 164 Cb 1.68 0.12 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 1gpu h ILE 164 CO -0.12 0.16 -0.47 0.77 -1.08 0.00 0.00 178.15 177.40 1gpu h SER 165 N 0.85 0.00 -0.25 2.19 4.64 -1.47 -1.23 113.55 118.28 1gpu h SER 165 Ca 0.33 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.53 1gpu h SER 165 Cb 0.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1gpu h SER 165 CO -0.11 0.47 -0.32 0.28 -0.87 0.00 0.00 176.83 176.28 1gpu h SER 166 N 0.00 0.71 0.31 4.97 0.02 -1.34 0.52 113.55 118.74 1gpu h SER 166 Ca -0.00 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1gpu h SER 166 Cb 0.87 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1gpu h SER 166 CO 0.06 1.07 -0.20 -0.33 -1.14 0.00 0.00 176.83 176.29 1gpu h GLU 167 N 0.38 -0.48 -0.74 3.45 5.08 -1.15 -0.02 114.58 121.10 1gpu h GLU 167 Ca 0.03 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1gpu h GLU 167 Cb 0.89 0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.22 1gpu h GLU 167 CO 0.08 -0.32 0.38 0.00 -1.00 0.00 0.00 179.01 178.15 1gpu h ALA 168 N 0.17 1.29 -0.06 3.43 0.00 -1.22 -1.99 119.26 120.88 1gpu h ALA 168 Ca -0.03 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 1gpu h ALA 168 Cb 0.42 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gpu h ALA 168 CO 0.02 0.57 -0.78 0.77 0.00 0.00 0.00 179.25 179.83 1gpu h SER 169 N 1.04 0.49 -0.07 0.00 0.02 -0.73 0.01 113.55 114.30 1gpu h SER 169 Ca 0.26 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1gpu h SER 169 Cb 0.06 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 1gpu h SER 169 CO -0.04 1.09 0.03 -1.28 -1.14 0.00 0.00 176.83 175.49 1gpu h SER 170 N 0.26 0.10 -0.69 3.07 0.87 -0.79 -1.17 113.55 115.20 1gpu h SER 170 Ca -0.04 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 1gpu h SER 170 Cb 1.37 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 1gpu h SER 170 CO 0.13 0.22 0.20 0.25 -0.53 0.00 0.00 176.83 177.10 1gpu h LEU 171 N -0.03 1.02 -1.05 2.23 5.85 -1.34 -1.84 115.31 120.14 1gpu h LEU 171 Ca 0.02 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1gpu h LEU 171 Cb 0.15 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 1gpu h LEU 171 CO -0.00 0.97 0.53 0.00 -0.34 0.00 0.00 178.44 179.60 1gpu h ALA 172 N 1.09 1.29 -0.34 1.25 0.00 -0.82 0.03 119.26 121.76 1gpu h ALA 172 Ca 0.22 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1gpu h ALA 172 Cb 0.32 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1gpu h ALA 172 CO -0.00 0.61 -0.00 0.78 0.00 0.00 0.00 179.25 180.63 1gpu h GLY 173 N 1.21 0.65 1.06 0.00 0.00 -0.89 -2.04 103.07 103.06 1gpu h GLY 173 Ca 0.31 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1gpu h GLY 173 CO -0.06 0.44 0.62 0.84 0.00 0.00 0.00 176.54 178.38 1gpu h HIS 174 N 0.41 1.20 0.00 5.60 6.17 -0.85 -2.00 115.15 125.68 1gpu h HIS 174 Ca 0.10 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1gpu h HIS 174 Cb 0.46 -0.40 0.00 0.00 2.52 0.00 0.00 27.41 29.98 1gpu h HIS 174 CO 0.04 0.76 0.00 1.28 0.71 0.00 0.00 177.93 180.72 1gpu n LEU 175 N -4.38 0.00 -3.93 0.26 4.77 -0.05 -4.77 117.00 108.90 1gpu n LEU 175 Ca 0.11 0.23 -0.26 0.00 -0.03 0.00 0.00 56.01 56.06 1gpu n LEU 175 Cb 0.02 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 40.88 1gpu n LEU 175 CO 0.37 -0.04 -0.14 0.29 -1.33 0.00 0.00 177.39 176.53 1gpu n LYS 176 N -1.23 -3.83 -2.38 3.23 5.02 -0.75 -4.45 118.16 113.77 1gpu n LYS 176 Ca 0.13 0.46 -0.37 0.00 -2.02 0.00 0.00 58.31 56.51 1gpu n LYS 176 Cb 0.17 -4.82 -0.03 0.00 -0.02 0.00 0.00 35.03 30.33 1gpu n LYS 176 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gpu s LEU 177 N -6.98 3.52 0.00 -0.35 1.43 -1.18 -4.22 118.68 110.90 1gpu s LEU 177 Ca 0.16 -2.05 0.11 0.00 -1.03 0.00 0.00 54.13 51.32 1gpu s LEU 177 Cb -0.08 -2.58 0.52 0.00 0.03 0.00 0.00 46.19 44.07 1gpu s LEU 177 CO 0.87 -1.92 1.29 0.61 0.23 0.00 0.00 176.35 177.44 1gpu n GLY 178 N 5.70 -0.75 1.21 -3.19 0.00 -1.19 -2.05 105.19 104.91 1gpu n GLY 178 Ca 0.46 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.55 1gpu n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gpu n ASN 179 N -1.38 3.59 -4.64 1.61 4.13 -1.26 -4.63 115.26 112.68 1gpu n ASN 179 Ca 0.04 -2.00 -0.37 0.00 1.68 0.00 0.00 54.58 53.93 1gpu n ASN 179 Cb 0.11 -0.30 -0.09 0.00 -1.54 0.00 0.00 39.78 37.95 1gpu n ASN 179 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1gpu s LEU 180 N -1.39 4.10 -0.10 3.41 2.96 -0.87 -0.93 118.68 125.85 1gpu s LEU 180 Ca 0.41 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.51 1gpu s LEU 180 Cb 0.24 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1gpu s LEU 180 CO 0.32 -0.01 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.65 1gpu s ILE 181 N 1.35 0.92 -0.05 6.68 1.01 0.00 -1.90 121.20 129.22 1gpu s ILE 181 Ca 0.11 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.56 1gpu s ILE 181 Cb -0.14 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1gpu s ILE 181 CO 0.07 0.35 -0.16 0.00 0.00 0.00 0.00 174.94 175.20 1gpu s ALA 182 N 1.69 2.58 -0.23 9.38 0.00 0.10 -1.28 121.76 134.00 1gpu s ALA 182 Ca 0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.99 1gpu s ALA 182 Cb -0.13 -0.92 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1gpu s ALA 182 CO -0.07 0.52 -0.08 0.42 0.00 0.00 0.00 175.76 176.55 1gpu s ILE 183 N -0.61 2.86 -0.29 0.00 1.01 0.11 -0.21 121.20 124.08 1gpu s ILE 183 Ca 0.09 -0.90 -0.18 0.00 0.00 0.00 0.00 60.65 59.66 1gpu s ILE 183 Cb -0.11 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.95 1gpu s ILE 183 CO 0.01 0.30 0.51 -0.47 0.00 0.00 0.00 174.94 175.28 1gpu s TYR 184 N 1.35 3.24 -0.99 3.97 5.04 0.42 -1.87 117.35 128.51 1gpu s TYR 184 Ca 0.02 0.48 -0.23 0.00 -2.44 0.00 0.00 57.07 54.90 1gpu s TYR 184 Cb -0.16 -2.78 0.04 0.00 0.35 0.00 0.00 41.96 39.41 1gpu s TYR 184 CO -0.05 -0.36 1.50 0.34 -1.34 0.00 0.00 175.55 175.64 1gpu s ASP 185 N 1.62 6.32 -1.25 4.32 2.15 0.14 -1.41 116.67 128.56 1gpu s ASP 185 Ca 0.20 -1.30 -0.15 0.00 0.43 0.00 0.00 52.55 51.73 1gpu s ASP 185 Cb -0.16 -2.57 0.13 0.00 -0.30 0.00 0.00 42.92 40.03 1gpu s ASP 185 CO 0.11 -1.67 1.56 -0.62 -0.17 0.00 0.00 175.17 174.37 1gpu s ASP 186 N 5.29 6.98 0.00 -0.34 2.15 0.16 -4.35 116.67 126.55 1gpu s ASP 186 Ca 0.48 -2.78 0.14 0.00 0.43 0.00 0.00 52.55 50.82 1gpu s ASP 186 Cb -0.01 -2.47 0.33 0.00 -0.30 0.00 0.00 42.92 40.46 1gpu s ASP 186 CO -0.07 -0.92 1.24 -0.46 -0.17 0.00 0.00 175.17 174.78 1gpu n ASN 187 N 6.76 2.95 -2.00 -0.34 0.23 -1.26 -2.12 115.26 119.48 1gpu n ASN 187 Ca 0.42 -1.89 -0.16 0.00 -0.53 0.00 0.00 54.58 52.41 1gpu n ASN 187 Cb 0.44 -0.22 -0.04 0.00 -2.08 0.00 0.00 39.78 37.88 1gpu n ASN 187 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1gpu n LYS 188 N 0.84 -1.70 -4.00 -3.83 4.01 -1.26 -4.58 118.16 107.64 1gpu n LYS 188 Ca 0.14 0.87 -0.13 0.00 -0.51 0.00 0.00 58.31 58.67 1gpu n LYS 188 Cb 0.45 -5.35 -0.14 0.00 -0.51 0.00 0.00 35.03 29.48 1gpu n LYS 188 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1gpu s ILE 189 N -2.62 0.19 0.25 -0.18 -1.09 -1.26 -1.93 121.20 114.56 1gpu s ILE 189 Ca 0.00 -0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1gpu s ILE 189 Cb 0.00 -0.18 -0.02 0.00 -1.58 0.00 0.00 42.46 40.68 1gpu s ILE 189 CO 0.00 0.01 0.20 0.35 -1.23 0.00 0.00 174.94 174.26 1gpu n THR 190 N 2.89 0.00 -0.32 2.92 -2.24 -0.05 -4.85 114.28 112.62 1gpu n THR 190 Ca -0.13 -1.80 0.03 0.00 -2.27 0.00 0.00 64.05 59.88 1gpu n THR 190 Cb 0.59 0.87 0.22 0.00 -2.10 0.00 0.00 70.33 69.91 1gpu n THR 190 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1gpu h ILE 191 N 1.75 1.08 0.00 2.28 2.04 -1.98 -1.98 117.51 120.70 1gpu h ILE 191 Ca -0.18 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1gpu h ILE 191 Cb 0.89 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1gpu h ILE 191 CO 0.27 0.20 0.00 0.47 0.00 0.00 0.00 178.15 179.09 1gpu n ASP 192 N -4.49 0.00 0.00 1.72 9.92 -1.26 -5.00 116.55 117.44 1gpu n ASP 192 Ca 0.14 -0.50 0.00 0.00 -0.53 0.00 0.00 54.79 53.90 1gpu n ASP 192 Cb 0.19 -0.14 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 1gpu n ASP 192 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gpu n GLY 193 N 0.93 0.16 3.77 0.44 0.00 -0.74 -5.06 105.19 104.69 1gpu n GLY 193 Ca 0.17 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.09 1gpu n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpu s ALA 194 N -1.72 3.26 0.50 4.61 0.00 -1.26 -0.87 121.76 126.28 1gpu s ALA 194 Ca 0.00 1.22 0.17 0.00 0.00 0.00 0.00 51.96 53.34 1gpu s ALA 194 Cb 0.00 -3.48 1.22 0.00 0.00 0.00 0.00 23.12 20.86 1gpu s ALA 194 CO 0.00 -0.80 2.10 1.79 0.00 0.00 0.00 175.76 178.85 1gpu h THR 195 N 2.47 1.00 0.00 0.00 1.35 -1.69 -2.91 112.91 113.13 1gpu h THR 195 Ca -0.50 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1gpu h THR 195 Cb 1.24 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1gpu h THR 195 CO 0.63 0.06 0.22 0.77 -0.25 0.00 0.00 175.52 176.95 1gpu h SER 196 N 0.00 0.00 0.83 5.36 4.64 -1.85 0.65 113.55 123.18 1gpu h SER 196 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gpu h SER 196 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1gpu h SER 196 CO 0.01 0.00 -0.08 2.30 -0.87 0.00 0.00 176.83 178.19 1gpu n ILE 197 N -2.69 0.00 -1.21 0.95 -5.35 -1.10 -4.42 119.36 105.54 1gpu n ILE 197 Ca -0.02 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1gpu n ILE 197 Cb 0.26 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.80 1gpu n ILE 197 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1gpu n SER 198 N -1.44 0.00 -3.39 7.28 3.41 -0.65 -5.06 113.62 113.77 1gpu n SER 198 Ca 0.08 -0.32 -0.22 0.00 -0.26 0.00 0.00 58.87 58.16 1gpu n SER 198 Cb 0.32 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 1gpu n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1gpu s PHE 199 N 0.00 0.15 -0.10 7.33 5.36 0.22 -4.97 117.98 125.97 1gpu s PHE 199 Ca 0.00 -1.22 0.14 0.00 -0.96 0.00 0.00 56.93 54.89 1gpu s PHE 199 Cb 0.00 -0.62 0.26 0.00 -0.34 0.00 0.00 43.02 42.33 1gpu s PHE 199 CO 0.00 -0.91 1.13 -0.40 -1.46 0.00 0.00 175.22 173.58 1gpu n ASP 200 N 4.06 1.55 -4.72 6.13 5.68 -1.26 -4.02 116.55 123.97 1gpu n ASP 200 Ca 0.13 -2.90 -0.30 0.00 -0.50 0.00 0.00 54.79 51.22 1gpu n ASP 200 Cb 0.42 -0.39 0.14 0.00 -1.14 0.00 0.00 41.12 40.15 1gpu n ASP 200 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1gpu s GLU 201 N -2.01 1.28 -0.86 0.11 -1.05 -1.26 -4.95 118.70 109.96 1gpu s GLU 201 Ca 0.26 0.85 -0.19 0.00 -0.15 0.00 0.00 54.97 55.74 1gpu s GLU 201 Cb 0.25 -1.81 0.12 0.00 -0.44 0.00 0.00 34.13 32.25 1gpu s GLU 201 CO -0.02 -2.23 1.06 0.34 0.95 0.00 0.00 175.26 175.36 1gpu s ASP 202 N -3.40 6.53 0.17 0.83 -1.08 -1.26 -4.90 116.67 113.56 1gpu s ASP 202 Ca 0.63 -1.85 -0.14 0.00 -0.52 0.00 0.00 52.55 50.67 1gpu s ASP 202 Cb -0.18 -2.39 0.11 0.00 -1.46 0.00 0.00 42.92 39.00 1gpu s ASP 202 CO 0.57 -1.11 1.77 0.58 0.52 0.00 0.00 175.17 177.50 1gpu h VAL 203 N 5.83 0.92 -0.28 1.11 2.07 -1.99 -1.62 116.25 122.29 1gpu h VAL 203 Ca 0.05 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1gpu h VAL 203 Cb 1.04 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1gpu h VAL 203 CO 1.11 0.07 0.04 0.00 0.02 0.00 0.00 177.57 178.81 1gpu h ALA 204 N 1.26 0.28 -0.74 1.67 0.00 -1.99 -0.78 119.26 118.96 1gpu h ALA 204 Ca 0.20 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1gpu h ALA 204 Cb 0.15 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1gpu h ALA 204 CO -0.17 -0.37 0.46 -0.22 0.00 0.00 0.00 179.25 178.96 1gpu h LYS 205 N 0.14 0.99 -0.31 0.00 3.64 -1.91 -0.80 116.57 118.32 1gpu h LYS 205 Ca 0.13 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1gpu h LYS 205 Cb 0.14 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1gpu h LYS 205 CO -0.18 0.68 0.17 -0.09 -2.27 0.00 0.00 179.45 177.77 1gpu h ARG 206 N 1.01 0.44 -0.14 1.90 2.43 -0.74 -1.40 114.38 117.88 1gpu h ARG 206 Ca 0.27 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1gpu h ARG 206 Cb -0.07 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1gpu h ARG 206 CO -0.05 0.37 -0.30 1.88 -1.51 0.00 0.00 179.97 180.35 1gpu h TYR 207 N 0.39 0.29 -0.02 2.20 -1.99 -0.84 -1.74 116.97 115.26 1gpu h TYR 207 Ca 0.11 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.69 1gpu h TYR 207 Cb 0.06 -0.07 -0.01 0.00 2.00 0.00 0.00 36.73 38.70 1gpu h TYR 207 CO -0.03 0.55 -0.41 0.93 -0.00 0.00 0.00 178.16 179.20 1gpu h GLU 208 N 0.23 0.05 0.00 4.88 5.08 -0.89 -0.89 114.58 123.04 1gpu h GLU 208 Ca 0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1gpu h GLU 208 Cb 0.66 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1gpu h GLU 208 CO 0.05 0.45 -0.27 0.00 -1.00 0.00 0.00 179.01 178.23 1gpu h ALA 209 N 1.55 1.40 0.00 3.43 0.00 -0.35 -1.17 119.26 124.12 1gpu h ALA 209 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1gpu h ALA 209 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1gpu h ALA 209 CO 0.05 0.34 0.00 1.88 0.00 0.00 0.00 179.25 181.53 1gpu h TYR 210 N 0.00 0.00 0.00 0.00 0.05 -1.04 -3.47 116.97 112.51 1gpu h TYR 210 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1gpu h TYR 210 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 1gpu h TYR 210 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1gpu n GLY 211 N 1.09 1.11 3.87 3.88 0.00 -0.44 -3.78 105.19 110.92 1gpu n GLY 211 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1gpu n GLY 211 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1gpu s TRP 212 N -2.00 3.43 0.04 1.61 0.52 -0.40 -4.48 118.94 117.66 1gpu s TRP 212 Ca 0.00 1.01 -0.17 0.00 0.02 0.00 0.00 56.10 56.95 1gpu s TRP 212 Cb 0.00 -2.39 -0.06 0.00 -1.15 0.00 0.00 33.47 29.87 1gpu s TRP 212 CO 0.00 0.06 0.50 -2.00 0.02 0.00 0.00 176.95 175.53 1gpu s GLU 213 N -3.36 4.07 -0.13 4.98 2.12 -0.33 -4.01 118.70 122.05 1gpu s GLU 213 Ca 0.50 0.59 0.02 0.00 0.36 0.00 0.00 54.97 56.45 1gpu s GLU 213 Cb -0.10 -3.23 0.01 0.00 0.26 0.00 0.00 34.13 31.07 1gpu s GLU 213 CO 0.25 0.66 -0.19 0.08 -0.54 0.00 0.00 175.26 175.53 1gpu s VAL 214 N -1.10 1.79 0.38 3.70 1.01 -1.26 -0.82 120.40 124.11 1gpu s VAL 214 Ca 0.27 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1gpu s VAL 214 Cb -0.18 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.53 1gpu s VAL 214 CO 0.17 0.50 0.10 -0.76 0.00 0.00 0.00 175.10 175.11 1gpu s LEU 215 N 0.94 3.06 0.06 3.92 1.43 0.12 -4.98 118.68 123.23 1gpu s LEU 215 Ca -0.06 -1.06 0.03 0.00 -1.03 0.00 0.00 54.13 52.01 1gpu s LEU 215 Cb -0.15 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1gpu s LEU 215 CO -0.03 -0.41 -0.09 -0.31 0.23 0.00 0.00 176.35 175.74 1gpu s TYR 216 N -2.57 0.82 -0.32 0.29 1.51 -1.26 -0.68 117.35 115.14 1gpu s TYR 216 Ca 0.38 -0.58 -0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1gpu s TYR 216 Cb 0.03 -0.48 0.12 0.00 -0.11 0.00 0.00 41.96 41.52 1gpu s TYR 216 CO 0.21 -0.07 0.17 0.08 -1.11 0.00 0.00 175.55 174.83 1gpu s VAL 217 N -1.84 0.13 0.19 0.71 1.01 -0.80 -4.93 120.40 114.88 1gpu s VAL 217 Ca -0.04 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 1gpu s VAL 217 Cb -0.07 -1.12 0.11 0.00 0.00 0.00 0.00 36.38 35.30 1gpu s VAL 217 CO -0.00 -0.84 1.82 -0.33 0.00 0.00 0.00 175.10 175.74 1gpu h GLU 218 N 7.74 0.65 -2.90 2.72 5.08 -1.88 -1.87 114.58 124.12 1gpu h GLU 218 Ca -0.08 -0.04 -0.71 0.00 -1.00 0.00 0.00 59.36 57.53 1gpu h GLU 218 Cb 0.99 -0.15 -0.35 0.00 0.50 0.00 0.00 28.75 29.75 1gpu h GLU 218 CO 0.37 0.43 0.08 -1.71 -1.00 0.00 0.00 179.01 177.18 1gpu n ASN 219 N -4.78 4.85 0.00 1.42 2.85 -1.26 -4.29 115.26 114.05 1gpu n ASN 219 Ca 0.06 -3.30 0.06 0.00 -0.11 0.00 0.00 54.58 51.29 1gpu n ASN 219 Cb 0.12 -1.03 0.31 0.00 1.24 0.00 0.00 39.78 40.41 1gpu n ASN 219 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gpu n GLY 220 N 1.62 -0.78 0.11 8.20 0.00 0.60 -0.90 105.19 114.04 1gpu n GLY 220 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 1gpu n GLY 220 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1gpu h ASN 221 N 0.00 0.00 0.00 1.61 2.35 -1.86 -3.42 115.58 114.25 1gpu h ASN 221 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1gpu h ASN 221 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1gpu h ASN 221 CO 0.00 0.71 -0.03 -0.62 -1.65 0.00 0.00 177.43 175.83 1gpu n GLU 222 N -3.44 5.07 -1.68 0.81 1.02 -1.07 -4.85 120.64 116.50 1gpu n GLU 222 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.79 1gpu n GLU 222 Cb 0.76 -0.52 -0.06 0.00 -0.02 0.00 0.00 31.44 31.61 1gpu n GLU 222 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1gpu n ASP 223 N -0.11 2.91 -0.16 1.62 2.03 -0.07 -4.75 116.55 118.01 1gpu n ASP 223 Ca 0.00 -2.70 -0.08 0.00 0.52 0.00 0.00 54.79 52.53 1gpu n ASP 223 Cb 0.00 -1.46 0.01 0.00 -0.72 0.00 0.00 41.12 38.95 1gpu n ASP 223 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1gpu h LEU 224 N 15.77 0.59 -0.75 -2.67 3.38 -1.94 -1.64 115.31 128.05 1gpu h LEU 224 Ca 0.32 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1gpu h LEU 224 Cb 0.81 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1gpu h LEU 224 CO 1.56 0.52 0.32 0.00 0.09 0.00 0.00 178.44 180.93 1gpu h ALA 225 N 1.10 0.97 -0.71 1.53 0.00 -1.99 -1.05 119.26 119.11 1gpu h ALA 225 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1gpu h ALA 225 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1gpu h ALA 225 CO -0.03 0.57 0.29 0.78 0.00 0.00 0.00 179.25 180.87 1gpu h GLY 226 N 1.07 1.12 0.93 0.00 0.00 -1.89 0.24 103.07 104.55 1gpu h GLY 226 Ca 0.25 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1gpu h GLY 226 CO -0.02 0.57 0.10 -2.22 0.00 0.00 0.00 176.54 174.97 1gpu h ILE 227 N 1.00 1.23 -0.84 2.60 2.04 -1.02 -0.78 117.51 121.74 1gpu h ILE 227 Ca 0.24 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1gpu h ILE 227 Cb 0.19 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1gpu h ILE 227 CO -0.02 0.27 0.41 0.00 0.00 0.00 0.00 178.15 178.81 1gpu h ALA 228 N 0.95 1.09 -0.62 1.87 0.00 -0.79 -2.03 119.26 119.73 1gpu h ALA 228 Ca 0.12 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1gpu h ALA 228 Cb 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1gpu h ALA 228 CO 0.00 0.65 0.04 -0.22 0.00 0.00 0.00 179.25 179.71 1gpu h LYS 229 N 1.20 1.07 -0.42 0.00 3.64 -0.21 -1.27 116.57 120.58 1gpu h LYS 229 Ca 0.29 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1gpu h LYS 229 Cb 0.11 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1gpu h LYS 229 CO -0.04 1.02 0.26 0.00 -2.27 0.00 0.00 179.45 178.43 1gpu h ALA 230 N 1.00 0.53 -0.52 5.00 0.00 -0.79 0.22 119.26 124.71 1gpu h ALA 230 Ca 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1gpu h ALA 230 Cb 0.52 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1gpu h ALA 230 CO 0.02 0.01 0.22 0.82 0.00 0.00 0.00 179.25 180.32 1gpu h ILE 231 N 0.56 1.21 -0.53 0.00 2.04 -1.19 -0.18 117.51 119.41 1gpu h ILE 231 Ca 0.15 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.39 1gpu h ILE 231 Cb -0.03 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1gpu h ILE 231 CO -0.03 0.24 0.33 0.00 0.00 0.00 0.00 178.15 178.70 1gpu h ALA 232 N 1.06 0.68 -0.73 1.87 0.00 -0.83 -2.23 119.26 119.08 1gpu h ALA 232 Ca 0.17 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1gpu h ALA 232 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1gpu h ALA 232 CO -0.02 0.07 0.33 0.37 0.00 0.00 0.00 179.25 180.00 1gpu h GLN 233 N 0.67 1.06 -0.96 0.00 5.75 -0.65 -2.54 115.11 118.44 1gpu h GLN 233 Ca 0.20 -0.17 0.09 0.00 -0.15 0.00 0.00 58.65 58.63 1gpu h GLN 233 Cb -0.03 -0.18 -0.07 0.00 1.07 0.00 0.00 27.48 28.27 1gpu h GLN 233 CO -0.07 0.85 0.62 0.00 -2.65 0.00 0.00 178.83 177.57 1gpu h ALA 234 N 1.16 1.52 0.00 3.38 0.00 -0.46 -0.65 119.26 124.21 1gpu h ALA 234 Ca 0.25 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1gpu h ALA 234 Cb 0.15 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gpu h ALA 234 CO -0.03 0.29 -0.10 0.87 0.00 0.00 0.00 179.25 180.29 1gpu h LYS 235 N 1.02 0.00 0.00 0.00 1.57 -1.00 -2.81 116.57 115.35 1gpu h LYS 235 Ca 0.44 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.08 1gpu h LYS 235 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1gpu h LYS 235 CO -0.20 0.10 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.06 1gpu h LEU 236 N 0.00 0.00 -7.64 2.94 3.38 -1.05 -3.36 115.31 109.58 1gpu h LEU 236 Ca -0.00 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.24 1gpu h LEU 236 Cb 0.45 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.04 1gpu h LEU 236 CO 0.01 0.65 1.53 -1.54 0.09 0.00 0.00 178.44 179.19 1gpu n SER 237 N -3.50 5.17 0.15 -0.43 3.41 -1.06 -4.78 113.62 112.58 1gpu n SER 237 Ca -0.00 -2.98 0.12 0.00 -0.26 0.00 0.00 58.87 55.75 1gpu n SER 237 Cb 0.71 -1.59 0.53 0.00 -0.26 0.00 0.00 64.21 63.60 1gpu n SER 237 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1gpu h LYS 238 N 7.09 0.00 -0.37 4.33 1.57 -1.81 -2.89 116.57 124.48 1gpu h LYS 238 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1gpu h LYS 238 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1gpu h LYS 238 CO 1.30 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 179.78 1gpu n ASP 239 N -2.30 3.44 -3.76 0.86 5.75 -1.26 -3.18 116.55 116.09 1gpu n ASP 239 Ca 0.01 -1.99 -0.13 0.00 -0.01 0.00 0.00 54.79 52.68 1gpu n ASP 239 Cb 0.19 -0.24 -0.12 0.00 -1.03 0.00 0.00 41.12 39.92 1gpu n ASP 239 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1gpu s LYS 240 N -1.49 0.24 0.62 0.11 1.02 -1.09 -4.60 119.74 114.55 1gpu s LYS 240 Ca 0.38 0.41 -0.17 0.00 0.02 0.00 0.00 55.97 56.61 1gpu s LYS 240 Cb 0.22 0.02 -0.02 0.00 -0.52 0.00 0.00 37.83 37.53 1gpu s LYS 240 CO 0.31 -0.09 1.12 -1.25 -0.92 0.00 0.00 175.35 174.52 1gpu s PRO 241 N 0.63 2.99 -0.04 -1.68 0.04 -1.18 -4.07 135.00 131.69 1gpu s PRO 241 Ca -0.04 1.48 0.07 0.00 0.04 0.00 0.00 61.00 62.55 1gpu s PRO 241 Cb -0.06 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1gpu s PRO 241 CO -0.04 -1.12 -0.25 0.99 0.04 0.00 0.00 177.00 176.63 1gpu s THR 242 N -2.12 2.00 -0.14 1.26 2.01 -0.80 -1.19 115.64 116.66 1gpu s THR 242 Ca 0.69 -1.05 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1gpu s THR 242 Cb -0.22 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 1gpu s THR 242 CO 0.36 0.56 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.49 1gpu s LEU 243 N -0.30 2.64 -0.34 4.42 2.96 -0.00 -0.72 118.68 127.34 1gpu s LEU 243 Ca 0.01 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1gpu s LEU 243 Cb -0.12 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.01 1gpu s LEU 243 CO 0.02 0.14 0.12 -0.63 -1.32 0.00 0.00 176.35 174.67 1gpu s ILE 244 N 0.52 3.86 -0.72 6.68 1.01 0.71 -0.70 121.20 132.56 1gpu s ILE 244 Ca -0.09 -1.11 -0.25 0.00 0.00 0.00 0.00 60.65 59.20 1gpu s ILE 244 Cb -0.16 -3.19 0.05 0.00 0.01 0.00 0.00 42.46 39.18 1gpu s ILE 244 CO 0.04 -0.19 1.15 -0.75 0.00 0.00 0.00 174.94 175.20 1gpu s LYS 245 N 1.42 3.18 -0.36 2.79 2.20 0.15 -0.43 119.74 128.69 1gpu s LYS 245 Ca -0.01 -0.56 -0.10 0.00 -0.36 0.00 0.00 55.97 54.94 1gpu s LYS 245 Cb -0.19 -4.27 0.02 0.00 -1.51 0.00 0.00 37.83 31.88 1gpu s LYS 245 CO 0.03 -2.01 0.19 1.41 -0.36 0.00 0.00 175.35 174.61 1gpu s MET 246 N 4.95 2.95 -0.01 4.03 -2.45 -0.50 -1.90 119.30 126.37 1gpu s MET 246 Ca 0.30 -0.99 -0.30 0.00 -1.25 0.00 0.00 55.69 53.45 1gpu s MET 246 Cb -0.11 -3.67 -0.03 0.00 1.25 0.00 0.00 34.83 32.27 1gpu s MET 246 CO 0.11 -0.62 1.02 0.99 1.05 0.00 0.00 175.02 177.57 1gpu s THR 247 N 1.56 4.73 0.21 10.11 2.01 -0.70 -0.67 115.64 132.89 1gpu s THR 247 Ca 0.02 1.96 -0.00 0.00 0.31 0.00 0.00 61.69 63.99 1gpu s THR 247 Cb -0.19 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.02 1gpu s THR 247 CO 0.06 0.12 0.14 0.42 -0.69 0.00 0.00 174.62 174.67 1gpu s THR 248 N 1.25 0.03 -0.28 -0.82 -4.23 -0.90 -0.30 115.64 110.39 1gpu s THR 248 Ca 0.52 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 1gpu s THR 248 Cb -0.22 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.11 1gpu s THR 248 CO 0.26 0.00 0.09 -0.89 -0.54 0.00 0.00 174.62 173.54 1gpu s THR 249 N -4.09 4.15 0.30 3.99 2.01 -1.26 -4.14 115.64 116.59 1gpu s THR 249 Ca 0.39 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 1gpu s THR 249 Cb 0.07 -3.08 -0.12 0.00 0.01 0.00 0.00 72.50 69.38 1gpu s THR 249 CO 0.13 0.15 1.56 0.00 -0.69 0.00 0.00 174.62 175.77 1gpu n ILE 250 N 4.90 1.15 -1.88 1.82 3.06 -1.26 -1.73 119.36 125.42 1gpu n ILE 250 Ca -0.15 -0.29 -0.13 0.00 -2.50 0.00 0.00 62.75 59.68 1gpu n ILE 250 Cb 0.49 -1.91 -0.03 0.00 0.54 0.00 0.00 39.64 38.74 1gpu n ILE 250 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1gpu n GLY 251 N 1.93 0.47 3.62 4.50 0.00 -0.43 0.11 105.19 115.39 1gpu n GLY 251 Ca 0.08 -0.38 -0.59 0.00 0.00 0.00 0.00 46.02 45.12 1gpu n GLY 251 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gpu n TYR 252 N -3.44 1.34 0.00 1.61 9.36 -0.71 -0.72 117.16 124.61 1gpu n TYR 252 Ca -0.14 0.91 0.00 0.00 3.32 0.00 0.00 57.90 61.98 1gpu n TYR 252 Cb 0.53 -2.24 0.00 0.00 -0.63 0.00 0.00 39.34 37.01 1gpu n TYR 252 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gpu n GLY 253 N 2.79 2.34 3.79 2.98 0.00 -1.26 -4.79 105.19 111.04 1gpu n GLY 253 Ca 0.23 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1gpu n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gpu s SER 254 N 0.22 5.54 0.57 1.61 0.15 0.11 -4.63 113.70 117.26 1gpu s SER 254 Ca 0.00 1.87 0.34 0.00 0.70 0.00 0.00 55.95 58.86 1gpu s SER 254 Cb 0.00 -2.54 1.69 0.00 -1.71 0.00 0.00 66.02 63.46 1gpu s SER 254 CO 0.00 -1.33 2.13 -0.07 1.20 0.00 0.00 173.24 175.16 1gpu h LEU 255 N 0.25 0.00 -3.37 3.45 3.38 -1.87 -2.37 115.31 114.79 1gpu h LEU 255 Ca -0.47 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.37 1gpu h LEU 255 Cb 1.23 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 1gpu h LEU 255 CO 0.56 0.06 0.02 1.41 0.09 0.00 0.00 178.44 180.57 1gpu n HIS 256 N -3.34 1.21 -1.71 1.13 8.25 -1.26 -5.03 115.22 114.48 1gpu n HIS 256 Ca -0.01 -1.32 -0.41 0.00 -0.26 0.00 0.00 57.72 55.72 1gpu n HIS 256 Cb 0.21 -0.46 0.01 0.00 1.12 0.00 0.00 29.99 30.87 1gpu n HIS 256 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gpu n ALA 257 N -0.85 1.37 -0.21 -1.41 0.00 -0.89 -1.92 120.51 116.59 1gpu n ALA 257 Ca 0.31 0.26 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1gpu n ALA 257 Cb 1.04 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1gpu n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gpu n GLY 258 N 0.79 1.28 3.85 0.00 0.00 0.12 -4.95 105.19 106.28 1gpu n GLY 258 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1gpu n GLY 258 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gpu s SER 259 N -3.04 5.94 0.37 1.61 0.15 -0.81 -4.91 113.70 113.01 1gpu s SER 259 Ca 0.00 0.10 0.27 0.00 0.70 0.00 0.00 55.95 57.03 1gpu s SER 259 Cb 0.00 -1.71 1.20 0.00 -1.71 0.00 0.00 66.02 63.80 1gpu s SER 259 CO 0.00 0.14 1.82 1.12 1.20 0.00 0.00 173.24 177.52 1gpu h HIS 260 N 2.94 0.00 0.00 3.44 2.07 -1.87 -2.85 115.15 118.87 1gpu h HIS 260 Ca -0.46 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.05 1gpu h HIS 260 Cb 1.17 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.15 1gpu h HIS 260 CO 0.59 0.00 -0.05 0.66 -3.07 0.00 0.00 177.93 176.06 1gpu h SER 261 N 0.00 0.00 -0.49 3.10 4.64 -1.94 -2.39 113.55 116.47 1gpu h SER 261 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gpu h SER 261 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1gpu h SER 261 CO 0.00 0.05 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 1gpu n VAL 262 N -3.24 0.65 0.16 0.95 0.24 -1.08 -4.38 118.33 111.63 1gpu n VAL 262 Ca -0.01 -0.73 -0.13 0.00 -2.04 0.00 0.00 64.34 61.43 1gpu n VAL 262 Cb 0.24 0.56 -0.08 0.00 -1.47 0.00 0.00 33.84 33.10 1gpu n VAL 262 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1gpu h HIS 263 N 3.63 -0.40 -0.98 6.34 -0.00 -1.60 0.77 115.15 122.92 1gpu h HIS 263 Ca 0.00 -0.01 -0.37 0.00 -0.00 0.00 0.00 60.37 59.99 1gpu h HIS 263 Cb 0.82 0.13 -0.40 0.00 -0.00 0.00 0.00 27.41 27.96 1gpu h HIS 263 CO 0.32 -0.07 -1.16 0.41 -0.00 0.00 0.00 177.93 177.44 1gpu n GLY 264 N -0.32 1.88 3.20 5.26 0.00 -1.26 -3.98 105.19 109.97 1gpu n GLY 264 Ca -0.10 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.41 1gpu n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpu s ALA 265 N -3.22 -0.77 0.58 4.61 0.00 -0.99 -4.61 121.76 117.37 1gpu s ALA 265 Ca 0.29 0.86 -0.20 0.00 0.00 0.00 0.00 51.96 52.91 1gpu s ALA 265 Cb 0.44 -0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1gpu s ALA 265 CO 0.02 -0.15 1.30 -1.25 0.00 0.00 0.00 175.76 175.68 1gpu s PRO 266 N 0.13 2.95 0.51 0.00 0.04 -1.25 -4.45 135.00 132.92 1gpu s PRO 266 Ca -0.00 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 1gpu s PRO 266 Cb -0.02 -2.07 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1gpu s PRO 266 CO 0.01 -1.30 1.15 -0.51 0.04 0.00 0.00 177.00 176.39 1gpu s LEU 267 N -3.87 3.85 0.70 -3.56 1.43 -1.26 -4.99 118.68 110.98 1gpu s LEU 267 Ca 0.76 2.24 -0.14 0.00 -1.03 0.00 0.00 54.13 55.95 1gpu s LEU 267 Cb -0.37 -4.45 0.02 0.00 0.03 0.00 0.00 46.19 41.42 1gpu s LEU 267 CO 0.42 -1.12 1.13 -0.54 0.23 0.00 0.00 176.35 176.47 1gpu s LYS 268 N -3.06 2.51 0.18 1.70 3.01 -1.26 -4.79 119.74 118.03 1gpu s LYS 268 Ca 0.69 1.43 -0.18 0.00 -1.01 0.00 0.00 55.97 56.90 1gpu s LYS 268 Cb -0.26 -1.91 0.13 0.00 -1.01 0.00 0.00 37.83 34.78 1gpu s LYS 268 CO 0.30 -1.49 1.63 0.00 0.51 0.00 0.00 175.35 176.30 1gpu h ALA 269 N -0.31 0.15 0.00 5.17 0.00 -2.00 -0.81 119.26 121.47 1gpu h ALA 269 Ca -0.46 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1gpu h ALA 269 Cb 1.25 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1gpu h ALA 269 CO 0.52 -0.55 -0.25 -0.44 0.00 0.00 0.00 179.25 178.54 1gpu h ASP 270 N -0.10 0.00 -0.35 0.00 3.32 -1.99 -1.38 116.42 115.91 1gpu h ASP 270 Ca 0.23 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.13 1gpu h ASP 270 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1gpu h ASP 270 CO -0.54 0.25 -0.35 -0.78 -1.72 0.00 0.00 179.24 176.10 1gpu h ASP 271 N 0.00 0.91 -0.70 6.45 3.58 -1.55 -2.22 116.42 122.89 1gpu h ASP 271 Ca -0.00 -0.47 -0.06 0.00 0.42 0.00 0.00 57.03 56.92 1gpu h ASP 271 Cb 0.53 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1gpu h ASP 271 CO 0.03 1.19 0.19 0.58 -2.88 0.00 0.00 179.24 178.36 1gpu h VAL 272 N 0.65 1.26 -0.01 2.25 2.07 -0.72 -1.49 116.25 120.26 1gpu h VAL 272 Ca 0.06 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 1gpu h VAL 272 Cb 0.93 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1gpu h VAL 272 CO 0.09 0.36 0.01 0.11 0.02 0.00 0.00 177.57 178.16 1gpu h LYS 273 N 1.07 0.01 -0.00 1.57 1.57 -1.08 -1.31 116.57 118.40 1gpu h LYS 273 Ca 0.23 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1gpu h LYS 273 Cb 0.34 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1gpu h LYS 273 CO -0.00 0.05 -0.28 -0.56 -0.57 0.00 0.00 179.45 178.09 1gpu h GLN 274 N -0.03 0.00 -0.20 3.15 -0.00 -1.29 -1.34 115.11 115.40 1gpu h GLN 274 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1gpu h GLN 274 Cb 0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.52 1gpu h GLN 274 CO -0.00 0.29 0.07 1.25 -0.00 0.00 0.00 178.83 180.43 1gpu h LEU 275 N 0.00 0.29 -0.04 0.06 5.85 -0.84 -0.11 115.31 120.52 1gpu h LEU 275 Ca -0.00 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1gpu h LEU 275 Cb 0.50 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1gpu h LEU 275 CO 0.04 0.41 0.02 0.11 -0.34 0.00 0.00 178.44 178.67 1gpu h LYS 276 N 0.16 0.07 -0.63 1.25 1.57 -0.83 -2.36 116.57 115.79 1gpu h LYS 276 Ca 0.07 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1gpu h LYS 276 Cb 0.22 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 1gpu h LYS 276 CO -0.00 0.23 0.33 0.77 -0.57 0.00 0.00 179.45 180.20 1gpu h SER 277 N -0.11 0.46 -0.99 0.86 0.02 -1.19 0.30 113.55 112.90 1gpu h SER 277 Ca 0.01 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.12 1gpu h SER 277 Cb 0.19 -0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.60 1gpu h SER 277 CO -0.00 0.30 0.63 0.50 -1.14 0.00 0.00 176.83 177.11 1gpu h LYS 278 N 0.60 0.96 -0.42 3.45 3.64 -0.81 -0.05 116.57 123.94 1gpu h LYS 278 Ca 0.29 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1gpu h LYS 278 Cb 0.22 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1gpu h LYS 278 CO -0.20 0.63 0.00 1.19 -2.27 0.00 0.00 179.45 178.80 1gpu n PHE 279 N -4.60 0.55 -1.13 1.91 3.72 -0.58 -4.91 117.46 112.43 1gpu n PHE 279 Ca 0.18 -0.28 -0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1gpu n PHE 279 Cb 0.34 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.88 1gpu n PHE 279 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gpu n GLY 280 N 1.17 0.39 3.87 1.37 0.00 -0.03 -5.04 105.19 106.92 1gpu n GLY 280 Ca 0.14 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 1gpu n GLY 280 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gpu s PHE 281 N -2.01 3.09 -0.28 1.61 0.40 0.95 -4.98 117.98 116.76 1gpu s PHE 281 Ca 0.00 -0.18 -0.29 0.00 -0.60 0.00 0.00 56.93 55.86 1gpu s PHE 281 Cb 0.00 -1.63 0.00 0.00 0.51 0.00 0.00 43.02 41.90 1gpu s PHE 281 CO 0.00 0.33 1.23 1.21 0.70 0.00 0.00 175.22 178.69 1gpu s ASN 282 N -3.95 6.81 0.08 1.36 3.84 -1.26 -3.35 114.94 118.46 1gpu s ASN 282 Ca 0.37 1.27 0.09 0.00 0.21 0.00 0.00 52.86 54.80 1gpu s ASN 282 Cb -0.07 -2.54 0.42 0.00 -0.55 0.00 0.00 41.25 38.51 1gpu s ASN 282 CO 0.27 -0.95 1.28 -0.81 -2.79 0.00 0.00 177.10 174.09 1gpu n PRO 283 N 7.03 0.04 -0.26 0.43 -0.04 -1.26 -2.14 135.00 138.79 1gpu n PRO 283 Ca 0.14 0.46 0.09 0.00 -0.04 0.00 0.00 63.50 64.15 1gpu n PRO 283 Cb 0.46 -1.61 0.24 0.00 -0.04 0.00 0.00 33.50 32.55 1gpu n PRO 283 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gpu n ASP 284 N -1.69 3.43 -4.34 3.54 8.00 -1.26 -4.70 116.55 119.53 1gpu n ASP 284 Ca 0.01 -1.98 -0.26 0.00 0.71 0.00 0.00 54.79 53.27 1gpu n ASP 284 Cb 0.06 -0.35 -0.13 0.00 -0.02 0.00 0.00 41.12 40.69 1gpu n ASP 284 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1gpu s LYS 285 N -1.04 1.26 0.12 -1.24 1.02 -0.91 -5.15 119.74 113.80 1gpu s LYS 285 Ca 0.36 -1.27 0.04 0.00 0.02 0.00 0.00 55.97 55.12 1gpu s LYS 285 Cb 0.19 -1.59 -0.04 0.00 -0.52 0.00 0.00 37.83 35.87 1gpu s LYS 285 CO 0.25 0.37 -0.09 -1.12 -0.92 0.00 0.00 175.35 173.84 1gpu s SER 286 N -2.08 1.54 -1.29 2.83 0.01 -1.26 -4.85 113.70 108.61 1gpu s SER 286 Ca 0.11 -0.97 -0.02 0.00 1.31 0.00 0.00 55.95 56.38 1gpu s SER 286 Cb -0.09 0.02 -0.00 0.00 0.21 0.00 0.00 66.02 66.15 1gpu s SER 286 CO 0.05 -0.35 0.70 0.49 0.41 0.00 0.00 173.24 174.54 1gpu n PHE 287 N 0.01 -1.92 -3.67 2.43 3.72 -1.26 -4.96 117.46 111.81 1gpu n PHE 287 Ca -0.12 0.80 -0.37 0.00 -0.05 0.00 0.00 57.45 57.72 1gpu n PHE 287 Cb 0.60 -4.28 -0.10 0.00 -0.94 0.00 0.00 39.48 34.77 1gpu n PHE 287 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1gpu s VAL 288 N -3.66 5.28 -0.27 -4.37 1.01 -1.26 -5.07 120.40 112.07 1gpu s VAL 288 Ca 0.06 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1gpu s VAL 288 Cb -0.02 -3.47 0.07 0.00 0.00 0.00 0.00 36.38 32.97 1gpu s VAL 288 CO 0.82 0.33 -0.04 -0.69 0.00 0.00 0.00 175.10 175.52 1gpu s VAL 289 N 1.17 1.88 0.41 2.92 1.01 -1.26 -4.88 120.40 121.65 1gpu s VAL 289 Ca 0.07 -1.62 -0.27 0.00 0.00 0.00 0.00 61.98 60.16 1gpu s VAL 289 Cb -0.14 -2.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 1gpu s VAL 289 CO 0.05 -0.21 1.41 -2.65 0.00 0.00 0.00 175.10 173.70 1gpu n PRO 290 N 4.50 2.32 -0.27 2.72 -0.02 -1.26 -4.87 135.00 138.13 1gpu n PRO 290 Ca -0.09 0.82 0.06 0.00 -2.02 0.00 0.00 63.50 62.27 1gpu n PRO 290 Cb 0.43 -2.56 0.29 0.00 -0.02 0.00 0.00 33.50 31.64 1gpu n PRO 290 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1gpu h GLN 291 N 2.51 0.87 -0.12 -0.52 5.75 -2.00 -0.82 115.11 120.77 1gpu h GLN 291 Ca -0.50 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 57.99 1gpu h GLN 291 Cb 1.27 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1gpu h GLN 291 CO 0.62 0.58 0.11 0.93 -2.65 0.00 0.00 178.83 178.42 1gpu h GLU 292 N 0.90 0.00 -0.05 1.69 3.07 -1.99 -0.15 114.58 118.06 1gpu h GLU 292 Ca 0.38 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.13 1gpu h GLU 292 Cb 0.31 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1gpu h GLU 292 CO -0.15 0.00 -0.39 0.28 -1.40 0.00 0.00 179.01 177.36 1gpu h VAL 293 N 0.00 1.44 -0.54 3.13 2.07 -1.50 -0.65 116.25 120.19 1gpu h VAL 293 Ca 0.06 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1gpu h VAL 293 Cb 0.29 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.48 1gpu h VAL 293 CO -0.00 0.53 0.30 1.88 0.02 0.00 0.00 177.57 180.30 1gpu h TYR 294 N -0.17 0.74 -0.52 1.57 0.05 -1.30 -1.42 116.97 115.93 1gpu h TYR 294 Ca -0.04 -0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.75 1gpu h TYR 294 Cb 1.07 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.53 1gpu h TYR 294 CO 0.14 0.54 0.30 -0.44 -1.05 0.00 0.00 178.16 177.66 1gpu h ASP 295 N 0.72 0.49 -0.23 3.88 3.32 -1.05 -0.21 116.42 123.34 1gpu h ASP 295 Ca 0.19 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1gpu h ASP 295 Cb 0.05 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1gpu h ASP 295 CO -0.03 0.34 0.15 -0.74 -1.72 0.00 0.00 179.24 177.24 1gpu h HIS 296 N 0.60 0.29 -0.03 4.55 2.76 -0.65 -1.67 115.15 121.01 1gpu h HIS 296 Ca 0.21 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.28 1gpu h HIS 296 Cb 0.04 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1gpu h HIS 296 CO -0.07 0.18 -0.48 1.88 -1.30 0.00 0.00 177.93 178.15 1gpu h TYR 297 N 0.31 0.07 -0.32 5.26 0.05 -1.06 0.87 116.97 122.15 1gpu h TYR 297 Ca 0.08 -0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.84 1gpu h TYR 297 Cb -0.04 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 1gpu h TYR 297 CO -0.06 0.53 0.19 0.37 -1.05 0.00 0.00 178.16 178.14 1gpu h GLN 298 N 0.05 0.44 -0.13 4.88 5.75 -0.68 0.71 115.11 126.13 1gpu h GLN 298 Ca -0.00 -0.04 -0.23 0.00 -0.15 0.00 0.00 58.65 58.23 1gpu h GLN 298 Cb 0.87 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.33 1gpu h GLN 298 CO 0.07 0.35 -0.81 -0.22 -2.65 0.00 0.00 178.83 175.57 1gpu h LYS 299 N 0.41 0.76 0.00 1.69 3.64 -1.03 -0.14 116.57 121.90 1gpu h LYS 299 Ca 0.12 -0.64 -0.09 0.00 -1.27 0.00 0.00 60.65 58.77 1gpu h LYS 299 Cb 0.02 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1gpu h LYS 299 CO -0.02 1.24 -1.42 0.25 -2.27 0.00 0.00 179.45 177.23 1gpu n THR 300 N -3.92 0.77 0.04 1.00 -2.24 0.27 -4.42 114.28 105.78 1gpu n THR 300 Ca -0.08 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1gpu n THR 300 Cb 0.76 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 1gpu n THR 300 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1gpu n ILE 301 N -2.68 0.70 0.42 2.28 5.41 0.13 -4.75 119.36 120.87 1gpu n ILE 301 Ca -0.06 0.23 -0.17 0.00 1.00 0.00 0.00 62.75 63.75 1gpu n ILE 301 Cb 0.70 -1.43 -0.08 0.00 -0.71 0.00 0.00 39.64 38.11 1gpu n ILE 301 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1gpu h LEU 302 N 0.00 -0.91 -0.69 1.39 5.85 -1.30 -0.03 115.31 119.62 1gpu h LEU 302 Ca 0.00 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1gpu h LEU 302 Cb 0.32 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1gpu h LEU 302 CO 0.00 -0.60 0.45 0.11 -0.34 0.00 0.00 178.44 178.06 1gpu h LYS 303 N -1.19 0.91 -0.38 1.25 1.57 -1.26 0.31 116.57 117.80 1gpu h LYS 303 Ca -0.11 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 1gpu h LYS 303 Cb 0.83 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1gpu h LYS 303 CO 0.18 0.61 -0.06 -1.35 -0.57 0.00 0.00 179.45 178.26 1gpu h PRO 304 N 0.94 0.63 -0.42 3.15 0.11 -1.77 -1.76 132.00 132.88 1gpu h PRO 304 Ca 0.25 -0.17 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 1gpu h PRO 304 Cb -0.10 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1gpu h PRO 304 CO -0.05 0.69 -0.10 0.78 -0.21 0.00 0.00 178.00 179.11 1gpu h GLY 305 N 0.94 0.88 1.02 -0.55 0.00 -0.40 -0.42 103.07 104.53 1gpu h GLY 305 Ca 0.11 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1gpu h GLY 305 CO 0.02 0.66 0.45 -2.08 0.00 0.00 0.00 176.54 175.59 1gpu h VAL 306 N 0.63 1.24 -0.28 4.60 2.07 -0.72 -0.85 116.25 122.94 1gpu h VAL 306 Ca 0.11 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.87 1gpu h VAL 306 Cb 0.63 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1gpu h VAL 306 CO 0.04 0.27 -0.40 -0.08 0.02 0.00 0.00 177.57 177.42 1gpu h GLU 307 N 1.15 0.67 -0.54 1.57 4.57 -1.13 -0.85 114.58 120.01 1gpu h GLU 307 Ca 0.29 -0.34 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1gpu h GLU 307 Cb 0.04 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1gpu h GLU 307 CO -0.05 0.95 0.06 0.00 -1.18 0.00 0.00 179.01 178.80 1gpu h ALA 308 N 1.01 0.72 -0.51 2.92 0.00 -0.72 0.53 119.26 123.20 1gpu h ALA 308 Ca 0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1gpu h ALA 308 Cb 0.93 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1gpu h ALA 308 CO 0.08 0.48 0.08 -0.97 0.00 0.00 0.00 179.25 178.93 1gpu h ASN 309 N 0.79 0.76 -0.10 0.00 -0.73 -0.99 -0.87 115.58 114.44 1gpu h ASN 309 Ca 0.16 -0.15 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1gpu h ASN 309 Cb 0.44 -0.20 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1gpu h ASN 309 CO 0.02 0.78 0.03 -1.13 -0.37 0.00 0.00 177.43 176.76 1gpu h ASN 310 N 0.77 0.14 -0.75 1.15 -1.24 -0.57 -0.51 115.58 114.58 1gpu h ASN 310 Ca 0.16 -0.20 -0.01 0.00 0.71 0.00 0.00 56.30 56.96 1gpu h ASN 310 Cb 0.35 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 1gpu h ASN 310 CO 0.01 0.31 0.42 0.11 -1.29 0.00 0.00 177.43 176.98 1gpu h LYS 311 N -0.03 1.05 -0.46 6.67 1.57 -0.65 -1.71 116.57 123.01 1gpu h LYS 311 Ca 0.03 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1gpu h LYS 311 Cb 0.22 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1gpu h LYS 311 CO -0.00 0.76 0.13 2.35 -0.57 0.00 0.00 179.45 182.13 1gpu h TRP 312 N 1.06 0.75 -0.78 -1.35 7.01 -0.87 -0.06 115.95 121.70 1gpu h TRP 312 Ca 0.27 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 1gpu h TRP 312 Cb 0.02 -0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 26.83 1gpu h TRP 312 CO 0.01 0.67 0.47 -0.91 -2.79 0.00 0.00 178.44 175.89 1gpu h ASN 313 N 0.60 0.92 -0.27 2.65 -0.26 -0.63 0.86 115.58 119.46 1gpu h ASN 313 Ca 0.15 -0.05 -0.04 0.00 -0.56 0.00 0.00 56.30 55.80 1gpu h ASN 313 Cb 0.29 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1gpu h ASN 313 CO -0.00 0.70 0.03 0.50 -1.06 0.00 0.00 177.43 177.60 1gpu h LYS 314 N 1.07 0.46 -0.72 0.81 3.64 -0.86 -1.03 116.57 119.94 1gpu h LYS 314 Ca 0.28 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1gpu h LYS 314 Cb -0.06 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1gpu h LYS 314 CO -0.05 0.59 0.42 1.25 -2.27 0.00 0.00 179.45 179.38 1gpu h LEU 315 N 0.26 0.87 -0.78 5.20 5.85 -0.44 -2.23 115.31 124.05 1gpu h LEU 315 Ca 0.08 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1gpu h LEU 315 Cb 0.36 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1gpu h LEU 315 CO 0.01 0.69 -0.39 0.15 -0.34 0.00 0.00 178.44 178.57 1gpu h PHE 316 N 0.98 0.55 -0.52 1.25 3.57 -0.73 -0.69 116.94 121.35 1gpu h PHE 316 Ca 0.25 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1gpu h PHE 316 Cb -0.01 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 1gpu h PHE 316 CO -0.01 0.78 0.22 1.03 -2.23 0.00 0.00 178.31 178.10 1gpu h SER 317 N 0.39 0.71 -0.21 0.41 0.87 -0.85 -1.10 113.55 113.78 1gpu h SER 317 Ca 0.04 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.32 1gpu h SER 317 Cb 0.85 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1gpu h SER 317 CO 0.07 0.68 -0.27 -0.08 -0.53 0.00 0.00 176.83 176.70 1gpu h GLU 318 N 0.70 0.69 -0.70 2.24 4.57 -1.24 -2.92 114.58 117.92 1gpu h GLU 318 Ca 0.17 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1gpu h GLU 318 Cb 0.18 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1gpu h GLU 318 CO -0.02 0.88 0.45 -0.92 -1.18 0.00 0.00 179.01 178.23 1gpu h TYR 319 N 0.60 0.86 0.00 0.92 5.03 -0.70 0.27 116.97 123.93 1gpu h TYR 319 Ca 0.08 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.38 1gpu h TYR 319 Cb 0.76 -0.29 -0.00 0.00 1.55 0.00 0.00 36.73 38.75 1gpu h TYR 319 CO 0.04 0.51 -0.12 1.96 -1.32 0.00 0.00 178.16 179.23 1gpu h GLN 320 N 0.91 0.00 0.20 1.82 4.20 -1.02 0.53 115.11 121.74 1gpu h GLN 320 Ca 0.27 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.65 1gpu h GLN 320 Cb -0.04 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.75 1gpu h GLN 320 CO -0.08 0.12 -1.59 0.87 -0.67 0.00 0.00 178.83 177.48 1gpu h LYS 321 N 0.00 0.42 -0.26 1.46 1.57 -1.19 -3.14 116.57 115.43 1gpu h LYS 321 Ca -0.00 -0.71 -0.13 0.00 -1.87 0.00 0.00 60.65 57.93 1gpu h LYS 321 Cb 0.28 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 1gpu h LYS 321 CO 0.02 1.33 -0.36 0.87 -0.57 0.00 0.00 179.45 180.73 1gpu h LYS 322 N 0.11 0.71 -2.87 3.15 1.79 -0.44 -3.38 116.57 115.64 1gpu h LYS 322 Ca -0.28 -0.41 -0.61 0.00 -2.18 0.00 0.00 60.65 57.17 1gpu h LYS 322 Cb 2.11 0.03 -0.41 0.00 -1.58 0.00 0.00 32.23 32.38 1gpu h LYS 322 CO 0.21 1.03 -0.69 -0.06 -1.08 0.00 0.00 179.45 178.86 1gpu s PHE 323 N -4.23 2.85 0.19 -1.35 0.08 0.18 -4.99 117.98 110.71 1gpu s PHE 323 Ca -0.12 -3.05 -0.15 0.00 0.12 0.00 0.00 56.93 53.72 1gpu s PHE 323 Cb 0.08 -2.18 0.17 0.00 -0.57 0.00 0.00 43.02 40.52 1gpu s PHE 323 CO 0.84 -0.63 1.64 -1.35 -0.10 0.00 0.00 175.22 175.63 1gpu h PRO 324 N 5.45 -0.01 0.55 0.24 0.11 -1.73 0.46 132.00 137.08 1gpu h PRO 324 Ca 0.18 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.27 1gpu h PRO 324 Cb 0.80 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.92 1gpu h PRO 324 CO 0.62 -0.01 -0.26 0.93 -0.21 0.00 0.00 178.00 179.06 1gpu h GLU 325 N -0.01 -0.71 -0.47 1.05 5.08 -1.94 -0.59 114.58 116.97 1gpu h GLU 325 Ca 0.25 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1gpu h GLU 325 Cb 0.39 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1gpu h GLU 325 CO -0.54 -0.41 0.12 -0.07 -1.00 0.00 0.00 179.01 177.11 1gpu h LEU 326 N -1.05 0.65 -0.39 1.33 3.38 -1.95 -0.89 115.31 116.40 1gpu h LEU 326 Ca -0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1gpu h LEU 326 Cb 0.64 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1gpu h LEU 326 CO 0.12 0.64 0.08 1.23 0.09 0.00 0.00 178.44 180.60 1gpu h GLY 327 N 0.89 0.69 1.40 0.83 0.00 -0.08 -0.94 103.07 105.86 1gpu h GLY 327 Ca 0.16 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1gpu h GLY 327 CO -0.00 0.42 -0.16 0.00 0.00 0.00 0.00 176.54 176.80 1gpu h ALA 328 N 0.93 1.01 0.11 3.60 0.00 -0.82 -0.33 119.26 123.76 1gpu h ALA 328 Ca 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1gpu h ALA 328 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gpu h ALA 328 CO 0.01 0.59 -0.05 1.49 0.00 0.00 0.00 179.25 181.29 1gpu h GLU 329 N 0.63 -0.14 -0.64 0.00 4.81 -0.87 0.35 114.58 118.72 1gpu h GLU 329 Ca 0.10 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1gpu h GLU 329 Cb 0.62 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 1gpu h GLU 329 CO 0.04 -0.02 0.09 1.25 -0.73 0.00 0.00 179.01 179.64 1gpu h LEU 330 N -0.23 1.03 -0.53 1.64 5.85 -1.08 -1.59 115.31 120.41 1gpu h LEU 330 Ca -0.01 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.49 1gpu h LEU 330 Cb 0.18 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1gpu h LEU 330 CO 0.02 1.04 0.25 0.00 -0.34 0.00 0.00 178.44 179.42 1gpu h ALA 331 N 1.03 0.67 -0.02 1.25 0.00 -0.85 0.14 119.26 121.48 1gpu h ALA 331 Ca 0.19 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1gpu h ALA 331 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1gpu h ALA 331 CO 0.02 -0.10 -0.02 -0.09 0.00 0.00 0.00 179.25 179.05 1gpu h ARG 332 N 0.49 -0.03 -0.97 0.00 2.43 -0.59 -2.06 114.38 113.66 1gpu h ARG 332 Ca 0.24 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1gpu h ARG 332 Cb 0.17 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 1gpu h ARG 332 CO -0.18 -0.02 0.63 0.00 -1.51 0.00 0.00 179.97 178.89 1gpu h ARG 333 N -0.03 1.18 0.00 0.20 3.08 -0.62 -0.90 114.38 117.29 1gpu h ARG 333 Ca 0.02 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1gpu h ARG 333 Cb 0.05 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 1gpu h ARG 333 CO -0.04 0.78 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.48 1gpu h LEU 334 N 1.21 0.00 -0.01 3.04 3.38 -0.42 -0.42 115.31 122.09 1gpu h LEU 334 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1gpu h LEU 334 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1gpu h LEU 334 CO -0.13 0.09 -0.05 -1.54 0.09 0.00 0.00 178.44 176.91 1gpu n SER 335 N -3.34 0.06 -0.44 -0.43 3.41 -0.36 -4.91 113.62 107.61 1gpu n SER 335 Ca -0.01 0.30 -0.04 0.00 -0.26 0.00 0.00 58.87 58.86 1gpu n SER 335 Cb 0.28 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 1gpu n SER 335 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gpu n GLY 336 N 1.46 0.34 3.28 5.00 0.00 -0.17 -5.05 105.19 110.05 1gpu n GLY 336 Ca 0.08 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 1gpu n GLY 336 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gpu s GLN 337 N -3.69 1.88 0.82 1.61 -0.21 -1.19 -5.01 119.66 113.87 1gpu s GLN 337 Ca 0.00 -0.89 -0.12 0.00 0.02 0.00 0.00 55.36 54.37 1gpu s GLN 337 Cb 0.00 -1.86 0.08 0.00 1.00 0.00 0.00 33.01 32.23 1gpu s GLN 337 CO 0.00 0.50 1.13 -0.51 -2.12 0.00 0.00 175.29 174.29 1gpu s LEU 338 N -0.69 2.46 0.49 2.90 1.43 -1.26 -4.43 118.68 119.58 1gpu s LEU 338 Ca 0.09 1.05 -0.24 0.00 -1.03 0.00 0.00 54.13 54.00 1gpu s LEU 338 Cb -0.09 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 1gpu s LEU 338 CO -0.00 -2.00 1.41 -2.84 0.23 0.00 0.00 176.35 173.14 1gpu s PRO 339 N -5.33 3.48 0.19 1.29 0.02 -1.26 -4.89 135.00 128.49 1gpu s PRO 339 Ca 0.61 2.37 -0.32 0.00 0.02 0.00 0.00 61.00 63.69 1gpu s PRO 339 Cb -0.13 -2.51 -0.11 0.00 0.02 0.00 0.00 34.50 31.76 1gpu s PRO 339 CO 0.52 -0.97 1.73 0.00 -0.33 0.00 0.00 177.00 177.96 1gpu s ALA 340 N -1.23 3.89 -1.78 -1.55 0.00 -1.26 -1.84 121.76 117.99 1gpu s ALA 340 Ca 0.65 1.55 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1gpu s ALA 340 Cb -0.43 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 18.98 1gpu s ALA 340 CO 0.54 -0.98 0.00 -1.71 0.00 0.00 0.00 175.76 173.61 1gpu n ASN 341 N 4.35 -5.38 0.03 0.00 4.05 -1.26 -4.87 115.26 112.18 1gpu n ASN 341 Ca 0.16 0.18 0.09 0.00 0.45 0.00 0.00 54.58 55.47 1gpu n ASN 341 Cb 0.36 -4.47 0.52 0.00 1.23 0.00 0.00 39.78 37.42 1gpu n ASN 341 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 177.26 178.32 1gpu h TRP 342 N 0.00 0.33 0.00 1.20 5.08 -1.73 -1.42 115.95 119.41 1gpu h TRP 342 Ca -0.42 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.56 1gpu h TRP 342 Cb 1.29 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1gpu h TRP 342 CO 0.51 0.18 0.00 1.05 -1.28 0.00 0.00 178.44 178.91 1gpu h GLU 343 N 0.33 0.00 0.00 0.12 9.09 -1.89 -1.97 114.58 120.26 1gpu h GLU 343 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1gpu h GLU 343 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 1gpu h GLU 343 CO -0.04 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.68 1gpu h SER 344 N 0.00 0.00 0.25 3.06 4.64 -1.65 -1.24 113.55 118.62 1gpu h SER 344 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gpu h SER 344 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1gpu h SER 344 CO 0.00 0.00 -0.25 0.29 -0.87 0.00 0.00 176.83 176.00 1gpu n LYS 345 N -2.75 0.81 -2.31 4.77 5.02 -0.74 -4.89 118.16 118.05 1gpu n LYS 345 Ca -0.01 -0.46 -0.41 0.00 -2.02 0.00 0.00 58.31 55.40 1gpu n LYS 345 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1gpu n LYS 345 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1gpu s LEU 346 N -2.51 4.43 0.47 -0.35 1.43 -0.47 -4.73 118.68 116.94 1gpu s LEU 346 Ca 0.24 2.28 -0.25 0.00 -1.03 0.00 0.00 54.13 55.38 1gpu s LEU 346 Cb 0.19 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.73 1gpu s LEU 346 CO 0.52 -0.44 1.40 -2.84 0.23 0.00 0.00 176.35 175.22 1gpu s PRO 347 N -0.07 3.59 0.09 1.29 0.02 -1.26 -5.04 135.00 133.62 1gpu s PRO 347 Ca 0.55 2.36 0.07 0.00 0.02 0.00 0.00 61.00 64.00 1gpu s PRO 347 Cb -0.34 -2.58 -0.03 0.00 0.02 0.00 0.00 34.50 31.57 1gpu s PRO 347 CO 0.37 -0.87 -0.17 0.95 -0.33 0.00 0.00 177.00 176.94 1gpu s THR 348 N -1.23 1.40 0.24 0.99 -4.23 -1.26 -4.75 115.64 106.80 1gpu s THR 348 Ca 0.63 -1.43 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 1gpu s THR 348 Cb -0.43 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.06 1gpu s THR 348 CO 0.54 -0.15 0.12 -0.31 -0.54 0.00 0.00 174.62 174.28 1gpu s TYR 349 N -1.23 1.40 0.19 3.99 1.51 -1.26 -5.00 117.35 116.95 1gpu s TYR 349 Ca 0.02 -1.28 0.00 0.00 -1.01 0.00 0.00 57.07 54.80 1gpu s TYR 349 Cb -0.10 -0.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 1gpu s TYR 349 CO 0.03 -0.47 0.07 0.95 -1.11 0.00 0.00 175.55 175.02 1gpu s THR 350 N -3.89 0.33 -0.12 -0.71 -4.23 -1.26 -4.88 115.64 100.88 1gpu s THR 350 Ca 0.38 -1.97 0.23 0.00 -1.18 0.00 0.00 61.69 59.15 1gpu s THR 350 Cb 0.07 -2.32 0.23 0.00 1.34 0.00 0.00 72.50 71.83 1gpu s THR 350 CO 0.14 -0.24 1.71 0.00 -0.54 0.00 0.00 174.62 175.68 1gpu h ALA 351 N 2.64 1.01 0.00 3.99 0.00 -1.77 -1.03 119.26 124.10 1gpu h ALA 351 Ca -0.36 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1gpu h ALA 351 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1gpu h ALA 351 CO 0.59 -0.01 -0.32 0.87 0.00 0.00 0.00 179.25 180.39 1gpu h LYS 352 N 0.00 0.00 -7.22 0.00 1.57 -1.95 -3.45 116.57 105.51 1gpu h LYS 352 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 1gpu h LYS 352 Cb 0.02 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.44 1gpu h LYS 352 CO 0.00 0.29 0.36 -0.51 -0.57 0.00 0.00 179.45 179.02 1gpu s ASP 353 N -6.34 4.83 0.92 0.86 1.01 -0.39 -5.01 116.67 112.55 1gpu s ASP 353 Ca 0.05 2.00 -0.12 0.00 0.71 0.00 0.00 52.55 55.19 1gpu s ASP 353 Cb 0.07 -2.55 0.15 0.00 1.01 0.00 0.00 42.92 41.59 1gpu s ASP 353 CO 0.72 -1.82 1.09 -0.44 0.21 0.00 0.00 175.17 174.93 1gpu s SER 354 N -2.70 3.23 0.30 0.27 0.01 -1.26 -4.45 113.70 109.11 1gpu s SER 354 Ca 0.66 1.41 -0.28 0.00 1.31 0.00 0.00 55.95 59.06 1gpu s SER 354 Cb -0.21 -2.09 -0.09 0.00 0.21 0.00 0.00 66.02 63.84 1gpu s SER 354 CO 0.45 -2.78 1.02 0.00 0.41 0.00 0.00 173.24 172.34 1gpu s ALA 355 N -2.94 3.28 -0.01 1.44 0.00 -1.26 -4.41 121.76 117.86 1gpu s ALA 355 Ca 0.64 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 1gpu s ALA 355 Cb -0.18 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1gpu s ALA 355 CO 0.57 -0.02 0.15 0.08 0.00 0.00 0.00 175.76 176.54 1gpu s VAL 356 N -1.36 0.07 0.33 0.00 1.01 0.30 -4.76 120.40 115.98 1gpu s VAL 356 Ca 0.48 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.63 1gpu s VAL 356 Cb -0.26 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.63 1gpu s VAL 356 CO 0.33 -0.30 1.07 0.00 0.00 0.00 0.00 175.10 176.20 1gpu s ALA 357 N -1.09 3.27 0.44 5.51 0.00 -1.26 -2.03 121.76 126.61 1gpu s ALA 357 Ca -0.12 0.81 0.40 0.00 0.00 0.00 0.00 51.96 53.06 1gpu s ALA 357 Cb -0.06 -3.30 2.03 0.00 0.00 0.00 0.00 23.12 21.79 1gpu s ALA 357 CO 0.01 -0.17 2.22 1.79 0.00 0.00 0.00 175.76 179.61 1gpu h THR 358 N 2.73 0.00 -0.45 0.00 1.35 -1.75 -0.49 112.91 114.30 1gpu h THR 358 Ca -0.47 -0.18 -0.07 0.00 -0.55 0.00 0.00 66.41 65.13 1gpu h THR 358 Cb 1.21 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.79 1gpu h THR 358 CO 0.65 0.00 -0.00 -0.09 -0.25 0.00 0.00 175.52 175.83 1gpu h ARG 359 N 0.00 0.80 -0.12 4.72 2.43 -1.67 -0.68 114.38 119.87 1gpu h ARG 359 Ca 0.00 -0.26 -0.21 0.00 -0.81 0.00 0.00 59.98 58.70 1gpu h ARG 359 Cb 0.18 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1gpu h ARG 359 CO 0.00 0.86 -0.77 -0.22 -1.51 0.00 0.00 179.97 178.33 1gpu h LYS 360 N 0.65 0.64 -0.78 0.20 1.63 -1.40 -2.78 116.57 114.72 1gpu h LYS 360 Ca 0.13 -0.53 -0.01 0.00 -0.85 0.00 0.00 60.65 59.39 1gpu h LYS 360 Cb 0.50 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.21 1gpu h LYS 360 CO 0.02 1.15 0.44 -0.07 -3.45 0.00 0.00 179.45 177.54 1gpu h LEU 361 N 0.43 0.96 -0.49 5.20 3.38 -1.12 -1.57 115.31 122.11 1gpu h LEU 361 Ca -0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1gpu h LEU 361 Cb 1.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 1gpu h LEU 361 CO 0.15 0.77 0.25 -1.28 0.09 0.00 0.00 178.44 178.42 1gpu h SER 362 N 1.09 0.62 -0.89 -0.43 0.87 -1.04 -1.68 113.55 112.08 1gpu h SER 362 Ca 0.28 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1gpu h SER 362 Cb 0.01 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.75 1gpu h SER 362 CO -0.05 0.55 0.57 -0.08 -0.53 0.00 0.00 176.83 177.29 1gpu h GLU 363 N 0.64 1.02 -0.50 2.24 4.81 -1.07 -1.72 114.58 120.01 1gpu h GLU 363 Ca 0.17 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1gpu h GLU 363 Cb 0.08 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1gpu h GLU 363 CO -0.02 0.67 -0.04 1.15 -0.73 0.00 0.00 179.01 180.04 1gpu h THR 364 N 1.05 1.25 -0.08 0.32 2.02 -0.80 -1.25 112.91 115.42 1gpu h THR 364 Ca 0.38 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1gpu h THR 364 Cb 0.12 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1gpu h THR 364 CO -0.16 0.39 0.04 0.58 0.37 0.00 0.00 175.52 176.74 1gpu h VAL 365 N 0.79 1.10 -0.74 3.16 2.07 -0.63 -0.69 116.25 121.32 1gpu h VAL 365 Ca 0.14 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1gpu h VAL 365 Cb 0.52 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1gpu h VAL 365 CO 0.03 0.09 0.45 -0.07 0.02 0.00 0.00 177.57 178.08 1gpu h LEU 366 N 0.01 0.70 -1.16 2.57 3.38 -1.14 -1.21 115.31 118.47 1gpu h LEU 366 Ca 0.03 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1gpu h LEU 366 Cb 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1gpu h LEU 366 CO -0.00 0.47 -0.03 -0.33 0.09 0.00 0.00 178.44 178.63 1gpu h GLU 367 N 0.84 0.54 -0.00 1.13 4.39 -0.98 -1.70 114.58 118.80 1gpu h GLU 367 Ca 0.31 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1gpu h GLU 367 Cb 0.12 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1gpu h GLU 367 CO -0.15 0.59 -0.16 -0.25 -1.16 0.00 0.00 179.01 177.89 1gpu n ASP 368 N -4.25 0.16 0.00 1.42 8.00 -0.29 -4.27 116.55 117.33 1gpu n ASP 368 Ca 0.01 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1gpu n ASP 368 Cb 0.27 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1gpu n ASP 368 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1gpu n VAL 369 N -1.49 0.00 -0.17 2.53 0.24 -0.59 -4.75 118.33 114.11 1gpu n VAL 369 Ca 0.07 -0.32 0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1gpu n VAL 369 Cb 0.34 0.91 0.34 0.00 -1.47 0.00 0.00 33.84 33.96 1gpu n VAL 369 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1gpu h TYR 370 N 0.00 0.77 -0.07 6.34 -0.00 -1.49 0.50 116.97 123.02 1gpu h TYR 370 Ca 0.00 0.02 -0.19 0.00 -0.00 0.00 0.00 58.73 58.56 1gpu h TYR 370 Cb 0.00 -0.26 -0.00 0.00 -0.00 0.00 0.00 36.73 36.47 1gpu h TYR 370 CO 0.00 0.43 -0.75 -0.97 -0.00 0.00 0.00 178.16 176.87 1gpu h ASN 371 N 0.78 0.48 0.70 0.10 -0.73 -1.85 -3.10 115.58 111.96 1gpu h ASN 371 Ca 0.28 -0.32 -0.09 0.00 1.87 0.00 0.00 56.30 58.04 1gpu h ASN 371 Cb 0.14 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 1gpu h ASN 371 CO -0.09 1.07 -0.42 -0.61 -0.37 0.00 0.00 177.43 177.01 1gpu h GLN 372 N 0.27 0.00 -3.27 6.67 5.75 -1.59 -3.37 115.11 119.56 1gpu h GLN 372 Ca -0.03 0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.82 1gpu h GLN 372 Cb 1.33 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.48 1gpu h GLN 372 CO 0.13 0.42 -0.53 -0.51 -2.65 0.00 0.00 178.83 175.68 1gpu s LEU 373 N -7.35 4.72 0.62 -2.39 1.43 0.07 -4.80 118.68 110.98 1gpu s LEU 373 Ca -0.01 -3.41 0.34 0.00 -1.03 0.00 0.00 54.13 50.02 1gpu s LEU 373 Cb 0.12 -1.68 1.93 0.00 0.03 0.00 0.00 46.19 46.58 1gpu s LEU 373 CO 0.70 -0.18 2.21 1.55 0.23 0.00 0.00 176.35 180.87 1gpu h PRO 374 N 6.05 0.00 -0.00 1.29 0.13 -1.75 -0.61 132.00 137.12 1gpu h PRO 374 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1gpu h PRO 374 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1gpu h PRO 374 CO 0.72 0.00 -0.04 -0.85 -0.23 0.00 0.00 178.00 177.60 1gpu n GLU 375 N -3.54 0.41 -2.37 0.86 0.00 -1.26 -4.81 120.64 109.93 1gpu n GLU 375 Ca -0.02 -0.04 -0.42 0.00 0.00 0.00 0.00 57.16 56.68 1gpu n GLU 375 Cb 0.18 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 1gpu n GLU 375 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1gpu s LEU 376 N -2.62 4.25 -0.20 -1.84 2.96 -0.24 -0.53 118.68 120.48 1gpu s LEU 376 Ca 0.26 1.85 -0.00 0.00 -0.22 0.00 0.00 54.13 56.03 1gpu s LEU 376 Cb 0.20 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.39 1gpu s LEU 376 CO 0.48 -0.69 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.14 1gpu s ILE 377 N 2.81 1.25 0.45 6.68 -1.09 -0.63 -4.94 121.20 125.73 1gpu s ILE 377 Ca 0.58 -0.89 0.07 0.00 -2.23 0.00 0.00 60.65 58.18 1gpu s ILE 377 Cb -0.25 -1.49 0.07 0.00 -1.58 0.00 0.00 42.46 39.20 1gpu s ILE 377 CO 0.21 -0.00 0.57 0.61 -1.23 0.00 0.00 174.94 175.09 1gpu n GLY 378 N 4.80 2.12 0.00 6.18 0.00 -0.47 -1.17 105.19 116.65 1gpu n GLY 378 Ca -0.12 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1gpu n GLY 378 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gpu n GLY 379 N -0.46 -0.08 3.27 -0.02 0.00 -1.04 -0.52 105.19 106.33 1gpu n GLY 379 Ca 0.10 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1gpu n GLY 379 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gpu s SER 380 N 0.00 -0.20 -1.25 1.61 0.15 -1.06 -0.85 113.70 112.10 1gpu s SER 380 Ca 0.00 -0.01 -0.09 0.00 0.70 0.00 0.00 55.95 56.54 1gpu s SER 380 Cb 0.00 0.36 0.18 0.00 -1.71 0.00 0.00 66.02 64.85 1gpu s SER 380 CO 0.00 -0.55 1.75 0.00 1.20 0.00 0.00 173.24 175.64 1gpu n ALA 381 N 0.86 5.09 -2.69 5.45 0.00 -0.30 -2.10 120.51 126.83 1gpu n ALA 381 Ca -0.20 -4.36 -0.22 0.00 0.00 0.00 0.00 53.44 48.66 1gpu n ALA 381 Cb 0.58 -2.92 0.01 0.00 0.00 0.00 0.00 19.45 17.12 1gpu n ALA 381 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1gpu n ASP 382 N 3.86 -6.05 -1.76 0.00 2.03 -1.11 -4.43 116.55 109.08 1gpu n ASP 382 Ca 0.38 -0.14 0.02 0.00 0.52 0.00 0.00 54.79 55.56 1gpu n ASP 382 Cb 0.37 -4.97 0.05 0.00 -0.72 0.00 0.00 41.12 35.85 1gpu n ASP 382 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1gpu n LEU 383 N -3.49 1.50 -0.10 -2.67 4.77 -1.26 -4.93 117.00 110.81 1gpu n LEU 383 Ca -0.19 -2.58 -0.06 0.00 -0.03 0.00 0.00 56.01 53.15 1gpu n LEU 383 Cb 0.66 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 1gpu n LEU 383 CO 0.38 0.80 0.79 0.74 -1.33 0.00 0.00 177.39 178.77 1gpu h THR 384 N 5.80 0.64 0.00 -5.08 2.02 -1.90 0.45 112.91 114.83 1gpu h THR 384 Ca -0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1gpu h THR 384 Cb 1.63 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1gpu h THR 384 CO 0.14 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.22 1gpu n PRO 385 N -5.29 0.15 -0.10 6.66 -0.04 -1.26 -1.16 135.00 133.97 1gpu n PRO 385 Ca 0.01 0.37 -0.19 0.00 -0.04 0.00 0.00 63.50 63.65 1gpu n PRO 385 Cb 0.20 -1.78 -0.12 0.00 -0.04 0.00 0.00 33.50 31.76 1gpu n PRO 385 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1gpu n SER 386 N -2.07 2.01 0.13 3.54 7.64 -0.52 -4.43 113.62 119.93 1gpu n SER 386 Ca 0.03 -0.06 0.03 0.00 1.01 0.00 0.00 58.87 59.88 1gpu n SER 386 Cb 0.23 -0.51 0.02 0.00 -1.01 0.00 0.00 64.21 62.94 1gpu n SER 386 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1gpu h ASN 387 N 0.02 0.00 -5.65 6.43 -0.26 -0.16 -3.48 115.58 112.48 1gpu h ASN 387 Ca -0.54 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 54.84 1gpu h ASN 387 Cb 1.93 0.00 0.15 0.00 -1.06 0.00 0.00 38.32 39.34 1gpu h ASN 387 CO -0.05 0.46 -0.71 0.18 -1.06 0.00 0.00 177.43 176.25 1gpu n LEU 388 N -3.16 -3.71 -0.29 1.61 4.77 -0.31 -4.83 117.00 111.07 1gpu n LEU 388 Ca 0.01 -0.57 0.11 0.00 -0.03 0.00 0.00 56.01 55.53 1gpu n LEU 388 Cb 0.73 -3.03 0.11 0.00 -2.33 0.00 0.00 43.42 38.89 1gpu n LEU 388 CO 0.40 0.50 0.36 0.35 -1.33 0.00 0.00 177.39 177.67 1gpu n THR 389 N -4.48 0.00 -3.75 -5.08 -2.24 -1.25 -4.08 114.28 93.40 1gpu n THR 389 Ca -0.15 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.11 1gpu n THR 389 Cb 0.62 0.87 -0.12 0.00 -2.10 0.00 0.00 70.33 69.59 1gpu n THR 389 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1gpu s ARG 390 N -2.63 3.74 0.62 -0.78 3.52 -1.26 -4.67 118.95 117.49 1gpu s ARG 390 Ca 0.18 -0.44 -0.16 0.00 -0.13 0.00 0.00 55.73 55.18 1gpu s ARG 390 Cb 0.18 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 1gpu s ARG 390 CO 0.62 -0.14 1.10 1.67 -0.81 0.00 0.00 175.30 177.74 1gpu s TRP 391 N 1.53 2.74 0.16 5.12 -2.14 -1.26 -4.96 118.94 120.12 1gpu s TRP 391 Ca 0.06 1.54 -0.30 0.00 2.66 0.00 0.00 56.10 60.06 1gpu s TRP 391 Cb -0.15 -3.15 -0.04 0.00 -3.10 0.00 0.00 33.47 27.03 1gpu s TRP 391 CO 0.05 -1.49 1.55 -0.22 -2.66 0.00 0.00 176.95 174.17 1gpu h LYS 392 N 0.40 -0.15 -0.80 3.25 3.64 -1.96 -2.51 116.57 118.43 1gpu h LYS 392 Ca -0.47 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 58.79 1gpu h LYS 392 Cb 1.24 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 33.02 1gpu h LYS 392 CO 0.56 -0.10 0.16 0.39 -2.27 0.00 0.00 179.45 178.19 1gpu n GLU 393 N -5.33 3.17 -1.48 1.90 -0.58 -1.26 -4.99 120.64 112.07 1gpu n GLU 393 Ca 0.01 -2.24 -0.33 0.00 -0.42 0.00 0.00 57.16 54.18 1gpu n GLU 393 Cb 0.31 -1.99 0.08 0.00 -0.57 0.00 0.00 31.44 29.28 1gpu n GLU 393 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gpu s ALA 394 N -2.31 2.20 -0.15 0.62 0.00 -0.95 -5.03 121.76 116.14 1gpu s ALA 394 Ca 0.40 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1gpu s ALA 394 Cb 0.32 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1gpu s ALA 394 CO 0.10 -1.73 -0.20 -1.17 0.00 0.00 0.00 175.76 172.76 1gpu s LEU 395 N -5.19 2.18 0.46 0.00 2.96 -1.26 -5.05 118.68 112.78 1gpu s LEU 395 Ca 0.71 -0.59 -0.24 0.00 -0.22 0.00 0.00 54.13 53.79 1gpu s LEU 395 Cb -0.25 -1.47 -0.07 0.00 0.50 0.00 0.00 46.19 44.89 1gpu s LEU 395 CO 0.45 0.07 1.22 -1.81 -1.32 0.00 0.00 176.35 174.96 1gpu s ASP 396 N 0.89 6.10 -0.33 3.68 1.01 -1.26 -0.80 116.67 125.97 1gpu s ASP 396 Ca -0.05 2.44 -0.29 0.00 0.71 0.00 0.00 52.55 55.36 1gpu s ASP 396 Cb -0.15 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.18 1gpu s ASP 396 CO -0.03 -0.97 1.16 0.12 0.21 0.00 0.00 175.17 175.66 1gpu s PHE 397 N -1.44 2.94 0.19 4.23 5.36 0.17 -2.94 117.98 126.49 1gpu s PHE 397 Ca 0.63 1.02 -0.17 0.00 -0.96 0.00 0.00 56.93 57.45 1gpu s PHE 397 Cb -0.32 -3.86 0.03 0.00 -0.34 0.00 0.00 43.02 38.52 1gpu s PHE 397 CO 0.40 -1.17 0.51 -0.65 -1.46 0.00 0.00 175.22 172.85 1gpu s GLN 398 N 3.93 1.36 0.50 10.12 -1.52 -0.88 -4.66 119.66 128.51 1gpu s GLN 398 Ca 0.50 -0.86 -0.22 0.00 -1.95 0.00 0.00 55.36 52.83 1gpu s GLN 398 Cb -0.13 0.52 -0.07 0.00 -0.22 0.00 0.00 33.01 33.11 1gpu s GLN 398 CO 0.20 -0.58 1.16 -2.14 -0.25 0.00 0.00 175.29 173.68 1gpu s PRO 399 N -3.87 3.58 0.44 2.91 0.02 -1.26 -1.72 135.00 135.08 1gpu s PRO 399 Ca 0.09 1.73 0.17 0.00 0.02 0.00 0.00 61.00 63.01 1gpu s PRO 399 Cb -0.01 -2.24 1.09 0.00 0.02 0.00 0.00 34.50 33.36 1gpu s PRO 399 CO -0.03 -0.69 1.92 -1.35 -0.33 0.00 0.00 177.00 176.52 1gpu h PRO 400 N 1.70 0.37 0.00 5.54 0.11 -1.92 -1.18 132.00 136.62 1gpu h PRO 400 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1gpu h PRO 400 Cb 1.26 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1gpu h PRO 400 CO 0.59 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.49 1gpu n SER 401 N -4.47 0.00 -0.00 -2.05 3.41 -1.26 -3.81 113.62 105.43 1gpu n SER 401 Ca 0.15 0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 59.05 1gpu n SER 401 Cb 0.56 -0.47 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1gpu n SER 401 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1gpu h SER 402 N 0.00 0.08 0.00 4.04 4.64 -1.47 -3.47 113.55 117.37 1gpu h SER 402 Ca 0.00 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1gpu h SER 402 Cb 0.31 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1gpu h SER 402 CO 0.00 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 1gpu n GLY 403 N -0.49 0.59 0.27 -0.77 0.00 -1.25 -4.88 105.19 98.65 1gpu n GLY 403 Ca -0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1gpu n GLY 403 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gpu n SER 404 N 0.00 1.33 0.00 1.61 7.64 -1.26 -5.09 113.62 117.86 1gpu n SER 404 Ca 0.00 -1.17 0.00 0.00 1.01 0.00 0.00 58.87 58.71 1gpu n SER 404 Cb 0.00 0.47 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1gpu n SER 404 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gpu n GLY 405 N 0.97 -0.81 2.14 0.23 0.00 -1.26 -4.11 105.19 102.35 1gpu n GLY 405 Ca 0.05 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 1gpu n GLY 405 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gpu n ASN 406 N 1.49 -0.95 0.03 1.61 0.23 -1.15 -4.20 115.26 112.31 1gpu n ASN 406 Ca 0.00 -2.14 0.06 0.00 -0.53 0.00 0.00 54.58 51.97 1gpu n ASN 406 Cb 0.00 1.73 0.27 0.00 -2.08 0.00 0.00 39.78 39.70 1gpu n ASN 406 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1gpu n TYR 407 N -0.35 0.16 1.02 -2.53 4.01 -0.70 -1.12 117.16 117.64 1gpu n TYR 407 Ca -0.01 0.07 0.13 0.00 -0.16 0.00 0.00 57.90 57.93 1gpu n TYR 407 Cb 0.37 -0.61 0.44 0.00 -0.31 0.00 0.00 39.34 39.22 1gpu n TYR 407 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1gpu n SER 408 N -1.65 0.26 -4.73 7.72 3.41 -1.26 -3.73 113.62 113.64 1gpu n SER 408 Ca 0.02 0.09 -0.36 0.00 -0.26 0.00 0.00 58.87 58.36 1gpu n SER 408 Cb 0.12 -0.12 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1gpu n SER 408 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1gpu s GLY 409 N -2.98 2.65 -0.03 5.00 0.00 -0.27 -4.93 107.32 106.76 1gpu s GLY 409 Ca 0.13 1.07 0.06 0.00 0.00 0.00 0.00 44.72 45.98 1gpu s GLY 409 CO 0.61 1.49 1.08 0.54 0.00 0.00 0.00 173.10 176.82 1gpu n ARG 410 N -2.19 2.66 -4.14 2.90 1.74 0.02 -4.23 116.66 113.42 1gpu n ARG 410 Ca 0.15 -1.83 -0.29 0.00 -0.77 0.00 0.00 57.85 55.10 1gpu n ARG 410 Cb 0.49 -1.16 -0.17 0.00 -1.02 0.00 0.00 32.46 30.60 1gpu n ARG 410 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1gpu s TYR 411 N -1.42 2.05 -0.21 -1.55 5.04 -1.17 -1.36 117.35 118.73 1gpu s TYR 411 Ca 0.11 -1.09 -0.10 0.00 -2.44 0.00 0.00 57.07 53.54 1gpu s TYR 411 Cb 0.08 -1.52 -0.05 0.00 0.35 0.00 0.00 41.96 40.83 1gpu s TYR 411 CO 0.03 -0.60 0.14 0.42 -1.34 0.00 0.00 175.55 174.20 1gpu s ILE 412 N 1.36 5.40 -0.90 3.14 1.01 0.32 0.41 121.20 131.94 1gpu s ILE 412 Ca 0.02 0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.69 1gpu s ILE 412 Cb -0.13 -3.48 0.17 0.00 0.01 0.00 0.00 42.46 39.02 1gpu s ILE 412 CO -0.08 0.42 1.00 -0.13 0.00 0.00 0.00 174.94 176.15 1gpu s ARG 413 N 0.47 3.61 0.54 2.79 1.81 -1.26 -2.56 118.95 124.35 1gpu s ARG 413 Ca 0.08 -2.04 0.32 0.00 -1.72 0.00 0.00 55.73 52.38 1gpu s ARG 413 Cb -0.11 -4.73 1.26 0.00 -0.45 0.00 0.00 34.95 30.91 1gpu s ARG 413 CO -0.01 -1.59 1.94 1.88 -0.68 0.00 0.00 175.30 176.85 1gpu h TYR 414 N 8.41 0.00 -0.41 -0.53 0.05 -1.82 -3.49 116.97 119.19 1gpu h TYR 414 Ca 0.14 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.93 1gpu h TYR 414 Cb 1.03 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 1gpu h TYR 414 CO 1.12 0.01 -0.02 0.41 -1.05 0.00 0.00 178.16 178.63 1gpu n GLY 415 N 0.14 -1.94 2.88 3.88 0.00 -1.25 -4.12 105.19 104.79 1gpu n GLY 415 Ca 0.01 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 1gpu n GLY 415 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1gpu n ILE 416 N -0.59 3.79 -3.14 -0.61 -0.00 -1.26 -2.76 119.36 114.79 1gpu n ILE 416 Ca 0.00 -3.59 -0.22 0.00 -0.00 0.00 0.00 62.75 58.94 1gpu n ILE 416 Cb 0.02 -2.51 -0.06 0.00 -0.00 0.00 0.00 39.64 37.10 1gpu n ILE 416 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1gpu n ARG 417 N 5.67 0.73 -0.02 0.38 1.74 -1.26 -5.00 116.66 118.89 1gpu n ARG 417 Ca 0.48 -3.07 -0.10 0.00 -0.77 0.00 0.00 57.85 54.38 1gpu n ARG 417 Cb 0.39 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 1gpu n ARG 417 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1gpu h GLU 418 N 3.96 0.15 -0.19 5.56 3.07 -1.91 -0.80 114.58 124.42 1gpu h GLU 418 Ca 0.05 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1gpu h GLU 418 Cb 0.90 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.76 1gpu h GLU 418 CO 0.45 0.10 0.09 1.25 -1.40 0.00 0.00 179.01 179.50 1gpu h HIS 419 N 0.15 0.17 -0.68 4.33 2.76 -1.90 -0.43 115.15 119.55 1gpu h HIS 419 Ca 0.06 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 1gpu h HIS 419 Cb 0.02 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 1gpu h HIS 419 CO -0.10 0.09 0.24 0.00 -1.30 0.00 0.00 177.93 176.87 1gpu h ALA 420 N 1.10 1.14 -0.86 5.26 0.00 -1.79 -2.03 119.26 122.08 1gpu h ALA 420 Ca 0.08 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1gpu h ALA 420 Cb 0.02 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1gpu h ALA 420 CO -0.06 0.61 0.56 1.98 0.00 0.00 0.00 179.25 182.33 1gpu h MET 421 N 1.00 1.06 -0.26 0.00 -1.53 -0.47 0.37 114.93 115.08 1gpu h MET 421 Ca 0.23 -0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.42 1gpu h MET 421 Cb 0.24 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1gpu h MET 421 CO -0.01 0.70 0.14 0.78 0.14 0.00 0.00 176.91 178.65 1gpu h GLY 422 N 1.09 0.40 1.87 1.39 0.00 -0.42 -0.76 103.07 106.64 1gpu h GLY 422 Ca 0.34 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 1gpu h GLY 422 CO -0.11 0.18 -0.61 0.00 0.00 0.00 0.00 176.54 176.01 1gpu h ALA 423 N 1.01 0.91 -0.36 3.60 0.00 -0.90 -2.42 119.26 121.10 1gpu h ALA 423 Ca 0.09 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.30 1gpu h ALA 423 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1gpu h ALA 423 CO -0.01 0.74 -0.38 0.82 0.00 0.00 0.00 179.25 180.41 1gpu h ILE 424 N 0.10 1.28 -0.65 0.00 2.04 -0.13 -1.46 117.51 118.68 1gpu h ILE 424 Ca -0.01 -1.56 -0.06 0.00 1.00 0.00 0.00 64.86 64.24 1gpu h ILE 424 Cb 1.09 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 1gpu h ILE 424 CO 0.09 0.52 0.18 0.24 0.00 0.00 0.00 178.15 179.17 1gpu h MET 425 N 0.71 1.02 -0.89 2.37 2.86 -1.04 0.24 114.93 120.20 1gpu h MET 425 Ca 0.06 -0.22 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1gpu h MET 425 Cb 0.96 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.43 1gpu h MET 425 CO 0.09 0.89 0.58 -0.91 1.06 0.00 0.00 176.91 178.62 1gpu h ASN 426 N 0.97 1.00 -0.43 1.22 2.35 -1.13 0.51 115.58 120.08 1gpu h ASN 426 Ca 0.21 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.83 1gpu h ASN 426 Cb 0.32 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 1gpu h ASN 426 CO -0.00 0.71 -0.15 1.23 -1.65 0.00 0.00 177.43 177.57 1gpu h GLY 427 N 1.18 0.99 0.90 2.83 0.00 -0.41 0.14 103.07 108.70 1gpu h GLY 427 Ca 0.33 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1gpu h GLY 427 CO -0.08 0.74 0.02 -2.22 0.00 0.00 0.00 176.54 174.99 1gpu h ILE 428 N 0.81 1.25 -0.33 2.60 2.04 -0.56 -1.40 117.51 121.92 1gpu h ILE 428 Ca 0.12 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 1gpu h ILE 428 Cb 0.69 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1gpu h ILE 428 CO 0.05 0.30 0.16 -1.28 0.00 0.00 0.00 178.15 177.39 1gpu h SER 429 N 0.39 0.43 0.20 1.72 0.87 -0.75 -2.76 113.55 113.65 1gpu h SER 429 Ca 0.10 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1gpu h SER 429 Cb 0.42 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1gpu h SER 429 CO 0.01 0.42 -0.10 0.00 -0.53 0.00 0.00 176.83 176.64 1gpu h ALA 430 N 1.02 1.49 -0.84 6.23 0.00 -0.55 -2.79 119.26 123.82 1gpu h ALA 430 Ca 0.11 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1gpu h ALA 430 Cb 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1gpu h ALA 430 CO -0.02 0.12 0.51 0.35 0.00 0.00 0.00 179.25 180.21 1gpu h PHE 431 N 0.00 0.93 0.00 0.00 3.57 -0.94 -3.49 116.94 117.01 1gpu h PHE 431 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1gpu h PHE 431 Cb 0.22 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.67 1gpu h PHE 431 CO 0.00 0.43 0.00 0.41 -2.23 0.00 0.00 178.31 176.92 1gpu n GLY 432 N -1.32 0.08 2.64 2.40 0.00 -1.05 -4.98 105.19 102.95 1gpu n GLY 432 Ca 0.13 -1.99 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 1gpu n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpu n ALA 433 N -0.59 -0.82 -2.03 4.61 0.00 -1.26 -1.58 120.51 118.84 1gpu n ALA 433 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 1gpu n ALA 433 Cb 0.00 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 17.41 1gpu n ALA 433 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1gpu n ASN 434 N -1.97 -3.78 -4.67 0.00 5.15 -1.19 -4.71 115.26 104.09 1gpu n ASN 434 Ca -0.13 0.23 -0.45 0.00 -0.60 0.00 0.00 54.58 53.63 1gpu n ASN 434 Cb 0.61 -3.33 -0.03 0.00 -0.53 0.00 0.00 39.78 36.51 1gpu n ASN 434 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1gpu n TYR 435 N -2.82 2.14 -3.89 1.20 4.02 -0.62 -4.82 117.16 112.38 1gpu n TYR 435 Ca -0.14 0.43 -0.28 0.00 -0.01 0.00 0.00 57.90 57.90 1gpu n TYR 435 Cb 0.54 -2.46 -0.12 0.00 -0.02 0.00 0.00 39.34 37.28 1gpu n TYR 435 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1gpu s LYS 436 N -0.36 2.28 0.32 -0.72 -0.14 0.31 -4.63 119.74 116.80 1gpu s LYS 436 Ca 0.69 -3.12 -0.24 0.00 -1.36 0.00 0.00 55.97 51.94 1gpu s LYS 436 Cb -0.66 -3.31 -0.10 0.00 -1.68 0.00 0.00 37.83 32.09 1gpu s LYS 436 CO 0.49 -1.25 0.90 -1.25 -0.76 0.00 0.00 175.35 173.48 1gpu s PRO 437 N -1.11 4.45 0.02 -1.68 0.04 -1.26 -1.60 135.00 133.86 1gpu s PRO 437 Ca 0.23 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.47 1gpu s PRO 437 Cb -0.09 -2.70 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 1gpu s PRO 437 CO -0.13 0.25 -0.04 1.52 0.04 0.00 0.00 177.00 178.64 1gpu s TYR 438 N -1.70 0.37 -0.01 0.56 -0.85 -0.32 -2.45 117.35 112.95 1gpu s TYR 438 Ca 0.51 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 56.65 1gpu s TYR 438 Cb -0.16 -0.24 0.00 0.00 0.38 0.00 0.00 41.96 41.94 1gpu s TYR 438 CO 0.21 -0.12 -0.02 0.20 -1.52 0.00 0.00 175.55 174.31 1gpu s GLY 439 N -1.19 0.13 0.07 5.49 0.00 0.11 -2.48 107.32 109.45 1gpu s GLY 439 Ca -0.11 -0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.62 1gpu s GLY 439 CO -0.00 0.08 0.06 -0.32 0.00 0.00 0.00 173.10 172.92 1gpu s GLY 440 N 0.19 2.00 0.04 0.20 0.00 -0.03 -0.44 107.32 109.27 1gpu s GLY 440 Ca -0.02 -1.01 -0.28 0.00 0.00 0.00 0.00 44.72 43.41 1gpu s GLY 440 CO -0.01 -0.98 1.20 -1.08 0.00 0.00 0.00 173.10 172.24 1gpu s THR 441 N -1.34 0.00 0.27 0.90 -1.32 -0.97 -1.15 115.64 112.03 1gpu s THR 441 Ca 0.28 -0.33 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 1gpu s THR 441 Cb -0.12 -2.41 -0.09 0.00 -1.51 0.00 0.00 72.50 68.37 1gpu s THR 441 CO 0.20 0.00 1.08 -0.36 -2.21 0.00 0.00 174.62 173.34 1gpu s PHE 442 N -2.39 3.62 0.30 9.09 0.08 -1.26 -2.18 117.98 125.24 1gpu s PHE 442 Ca 0.19 1.71 0.05 0.00 0.12 0.00 0.00 56.93 59.01 1gpu s PHE 442 Cb 0.01 -3.25 0.77 0.00 -0.57 0.00 0.00 43.02 39.98 1gpu s PHE 442 CO -0.01 -0.46 1.71 1.25 -0.10 0.00 0.00 175.22 177.62 1gpu h LEU 443 N 3.93 0.46 -2.28 -0.37 5.85 -1.26 0.64 115.31 122.27 1gpu h LEU 443 Ca -0.46 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1gpu h LEU 443 Cb 1.21 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.33 1gpu h LEU 443 CO 0.67 0.05 -0.05 -1.13 -0.34 0.00 0.00 178.44 177.64 1gpu h ASN 444 N 0.47 0.00 -0.10 1.25 -1.24 -1.83 -2.27 115.58 111.87 1gpu h ASN 444 Ca 0.58 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.59 1gpu h ASN 444 Cb 1.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1gpu h ASN 444 CO -0.50 0.05 0.00 0.49 -1.29 0.00 0.00 177.43 176.18 1gpu n PHE 445 N -3.58 0.10 0.22 0.67 3.72 0.20 -3.67 117.46 115.13 1gpu n PHE 445 Ca -0.02 -0.05 0.06 0.00 -0.05 0.00 0.00 57.45 57.38 1gpu n PHE 445 Cb 0.16 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.19 1gpu n PHE 445 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1gpu h VAL 446 N 4.41 1.08 -0.04 -4.37 2.07 -1.22 -1.29 116.25 116.88 1gpu h VAL 446 Ca 0.00 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1gpu h VAL 446 Cb 0.94 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1gpu h VAL 446 CO 0.00 0.22 0.05 0.28 0.02 0.00 0.00 177.57 178.14 1gpu h SER 447 N 0.00 0.00 0.85 0.57 0.02 -1.71 0.98 113.55 114.26 1gpu h SER 447 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1gpu h SER 447 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1gpu h SER 447 CO 0.03 0.00 -0.01 1.88 -1.14 0.00 0.00 176.83 177.59 1gpu h TYR 448 N 0.00 0.00 -0.33 3.45 -1.99 -1.48 -2.90 116.97 113.73 1gpu h TYR 448 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1gpu h TYR 448 Cb 0.13 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.86 1gpu h TYR 448 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 178.16 178.17 1gpu n ALA 449 N -2.10 3.13 -0.32 3.88 0.00 0.34 -4.30 120.51 121.14 1gpu n ALA 449 Ca -0.00 -2.18 0.17 0.00 0.00 0.00 0.00 53.44 51.43 1gpu n ALA 449 Cb 0.27 -0.78 0.41 0.00 0.00 0.00 0.00 19.45 19.35 1gpu n ALA 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gpu h ALA 450 N 2.26 1.94 -0.56 0.00 0.00 -1.52 -1.26 119.26 120.12 1gpu h ALA 450 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1gpu h ALA 450 Cb 1.52 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1gpu h ALA 450 CO 0.26 -0.30 0.23 0.78 0.00 0.00 0.00 179.25 180.23 1gpu h GLY 451 N 0.59 0.78 0.82 0.00 0.00 -1.87 -1.08 103.07 102.30 1gpu h GLY 451 Ca 0.56 -0.14 -0.15 0.00 0.00 0.00 0.00 47.33 47.60 1gpu h GLY 451 CO -0.32 0.03 -0.58 0.00 0.00 0.00 0.00 176.54 175.67 1gpu h ALA 452 N 1.36 0.11 -0.93 3.60 0.00 -1.58 -3.25 119.26 118.57 1gpu h ALA 452 Ca 0.27 -0.55 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1gpu h ALA 452 Cb 0.28 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1gpu h ALA 452 CO -0.25 0.36 0.60 0.28 0.00 0.00 0.00 179.25 180.24 1gpu h VAL 453 N -0.04 1.01 -0.91 0.00 2.07 -1.09 -0.93 116.25 116.37 1gpu h VAL 453 Ca -0.06 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1gpu h VAL 453 Cb 1.27 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1gpu h VAL 453 CO 0.12 0.18 0.58 -0.09 0.02 0.00 0.00 177.57 178.38 1gpu h ARG 454 N 0.99 1.21 0.00 1.57 2.43 -1.25 -1.25 114.38 118.09 1gpu h ARG 454 Ca 0.42 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.40 1gpu h ARG 454 Cb 0.32 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1gpu h ARG 454 CO -0.18 0.82 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.54 1gpu h LEU 455 N 1.24 0.00 -0.69 3.80 3.38 -1.25 -0.12 115.31 121.68 1gpu h LEU 455 Ca 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1gpu h LEU 455 Cb -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1gpu h LEU 455 CO -0.07 0.49 0.35 0.28 0.09 0.00 0.00 178.44 179.58 1gpu h SER 456 N 0.00 0.88 -0.07 -0.43 0.02 -0.11 0.13 113.55 113.98 1gpu h SER 456 Ca -0.00 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 1gpu h SER 456 Cb 1.09 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1gpu h SER 456 CO 0.06 0.75 -0.19 0.00 -1.14 0.00 0.00 176.83 176.32 1gpu h ALA 457 N 1.17 0.12 -0.05 3.77 0.00 -1.02 0.58 119.26 123.82 1gpu h ALA 457 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gpu h ALA 457 Cb 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1gpu h ALA 457 CO -0.03 0.06 0.01 1.25 0.00 0.00 0.00 179.25 180.54 1gpu h LEU 458 N -0.24 0.07 -0.51 0.00 5.85 -0.91 -3.13 115.31 116.45 1gpu h LEU 458 Ca -0.00 -0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.35 1gpu h LEU 458 Cb 0.80 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1gpu h LEU 458 CO 0.04 0.27 -0.74 0.28 -0.34 0.00 0.00 178.44 177.95 1gpu h SER 459 N -0.13 0.00 -0.77 1.25 0.02 -0.85 -3.48 113.55 109.60 1gpu h SER 459 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1gpu h SER 459 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1gpu h SER 459 CO -0.00 0.74 0.00 0.61 -1.14 0.00 0.00 176.83 177.04 1gpu n GLY 460 N 0.62 0.79 3.59 -3.77 0.00 -0.00 -4.82 105.19 101.59 1gpu n GLY 460 Ca -0.01 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 1gpu n GLY 460 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gpu s HIS 461 N -2.39 3.20 0.00 1.61 3.76 -0.06 -4.29 115.29 117.13 1gpu s HIS 461 Ca 0.00 0.43 -0.03 0.00 -0.15 0.00 0.00 55.06 55.31 1gpu s HIS 461 Cb 0.00 -2.92 -0.13 0.00 1.11 0.00 0.00 32.58 30.64 1gpu s HIS 461 CO 0.00 -0.47 2.27 -0.35 -0.85 0.00 0.00 174.74 175.34 1gpu n PRO 462 N 5.78 1.17 -1.60 8.40 -0.04 -1.26 -3.24 135.00 144.21 1gpu n PRO 462 Ca -0.03 -0.48 -0.32 0.00 -0.04 0.00 0.00 63.50 62.63 1gpu n PRO 462 Cb 0.49 -1.64 0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1gpu n PRO 462 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1gpu s VAL 463 N 1.34 3.48 -0.10 0.52 -7.23 -1.26 -4.72 120.40 112.43 1gpu s VAL 463 Ca 0.32 0.58 0.03 0.00 -1.81 0.00 0.00 61.98 61.10 1gpu s VAL 463 Cb 0.15 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.98 1gpu s VAL 463 CO 0.00 -0.53 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.45 1gpu s ILE 464 N -2.66 1.67 -0.26 -0.62 1.01 -1.02 -0.66 121.20 118.65 1gpu s ILE 464 Ca 0.63 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.43 1gpu s ILE 464 Cb -0.18 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1gpu s ILE 464 CO 0.48 0.47 0.11 0.26 0.00 0.00 0.00 174.94 176.26 1gpu s TRP 465 N 0.72 3.14 -0.82 3.97 0.52 0.54 -0.71 118.94 126.29 1gpu s TRP 465 Ca -0.12 -0.21 -0.17 0.00 0.02 0.00 0.00 56.10 55.63 1gpu s TRP 465 Cb -0.16 -2.28 0.17 0.00 -1.15 0.00 0.00 33.47 30.05 1gpu s TRP 465 CO 0.02 -0.26 0.89 0.08 0.02 0.00 0.00 176.95 177.70 1gpu s VAL 466 N 1.59 5.14 -0.65 4.03 1.01 0.41 -0.59 120.40 131.35 1gpu s VAL 466 Ca 0.06 -1.87 -0.16 0.00 0.00 0.00 0.00 61.98 60.01 1gpu s VAL 466 Cb -0.15 -4.59 0.15 0.00 0.00 0.00 0.00 36.38 31.79 1gpu s VAL 466 CO 0.06 -1.22 0.63 0.00 0.00 0.00 0.00 175.10 174.56 1gpu s ALA 467 N 1.56 3.74 0.74 5.51 0.00 -0.47 -2.28 121.76 130.55 1gpu s ALA 467 Ca 0.22 -2.74 -0.06 0.00 0.00 0.00 0.00 51.96 49.38 1gpu s ALA 467 Cb -0.11 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.71 1gpu s ALA 467 CO -0.06 -2.17 1.04 0.95 0.00 0.00 0.00 175.76 175.51 1gpu s THR 468 N 1.36 2.23 -1.05 0.00 -4.23 -0.93 -0.19 115.64 112.82 1gpu s THR 468 Ca 0.10 -0.35 -0.12 0.00 -1.18 0.00 0.00 61.69 60.14 1gpu s THR 468 Cb -0.22 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 70.70 1gpu s THR 468 CO -0.01 0.00 0.84 1.41 -0.54 0.00 0.00 174.62 176.33 1gpu n HIS 469 N -2.99 -2.27 1.08 3.99 8.25 -0.40 -1.07 115.22 121.81 1gpu n HIS 469 Ca 0.11 0.71 0.12 0.00 -0.26 0.00 0.00 57.72 58.40 1gpu n HIS 469 Cb 0.60 -3.81 0.58 0.00 1.12 0.00 0.00 29.99 28.49 1gpu n HIS 469 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1gpu n ASP 470 N -2.87 0.00 -0.11 0.41 5.75 -0.79 -4.18 116.55 114.76 1gpu n ASP 470 Ca -0.08 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 1gpu n ASP 470 Cb 0.60 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1gpu n ASP 470 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1gpu n SER 471 N -1.31 0.00 0.14 -1.12 3.41 -1.26 -4.44 113.62 109.03 1gpu n SER 471 Ca 0.10 -0.11 0.10 0.00 -0.26 0.00 0.00 58.87 58.70 1gpu n SER 471 Cb 0.20 0.00 0.51 0.00 -0.26 0.00 0.00 64.21 64.66 1gpu n SER 471 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1gpu n ILE 472 N 0.00 1.15 0.18 -1.33 -5.35 -1.26 -0.78 119.36 111.97 1gpu n ILE 472 Ca 0.00 0.71 0.11 0.00 -0.27 0.00 0.00 62.75 63.30 1gpu n ILE 472 Cb 0.00 -1.71 0.60 0.00 -1.74 0.00 0.00 39.64 36.79 1gpu n ILE 472 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1gpu h GLY 473 N 0.00 0.00 1.15 3.28 0.00 -1.93 0.13 103.07 105.71 1gpu h GLY 473 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1gpu h GLY 473 CO 0.00 0.00 0.49 -2.08 0.00 0.00 0.00 176.54 174.95 1gpu h VAL 474 N 0.00 1.12 0.00 4.60 2.07 -1.30 -3.44 116.25 119.30 1gpu h VAL 474 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1gpu h VAL 474 Cb 0.10 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1gpu h VAL 474 CO 0.00 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.37 1gpu n GLY 475 N -1.43 1.72 0.39 2.17 0.00 0.47 -4.35 105.19 104.16 1gpu n GLY 475 Ca 0.09 -0.52 0.19 0.00 0.00 0.00 0.00 46.02 45.78 1gpu n GLY 475 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gpu h GLU 476 N 0.00 0.47 -0.17 1.61 3.07 -1.38 -1.98 114.58 116.20 1gpu h GLU 476 Ca 0.00 -0.03 0.05 0.00 -0.50 0.00 0.00 59.36 58.88 1gpu h GLU 476 Cb 0.00 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 1gpu h GLU 476 CO 0.00 0.31 0.24 -0.44 -1.40 0.00 0.00 179.01 177.72 1gpu h ASP 477 N 0.49 0.00 -4.25 1.42 3.32 -1.88 -3.39 116.42 112.13 1gpu h ASP 477 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 1gpu h ASP 477 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1gpu h ASP 477 CO -0.25 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.88 1gpu n GLY 478 N -1.36 -2.41 0.43 2.75 0.00 -0.75 -4.54 105.19 99.32 1gpu n GLY 478 Ca 0.01 -1.64 0.24 0.00 0.00 0.00 0.00 46.02 44.64 1gpu n GLY 478 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gpu h PRO 479 N 0.00 0.08 0.00 1.61 0.13 -1.82 -0.34 132.00 131.66 1gpu h PRO 479 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1gpu h PRO 479 Cb 0.00 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.11 1gpu h PRO 479 CO 0.00 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 178.07 1gpu n THR 480 N -4.34 0.76 0.07 1.56 -2.24 -1.26 -2.92 114.28 105.91 1gpu n THR 480 Ca 0.16 0.18 0.01 0.00 -2.27 0.00 0.00 64.05 62.13 1gpu n THR 480 Cb 0.81 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 1gpu n THR 480 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gpu n HIS 481 N -1.61 0.00 -3.53 4.78 8.25 -0.18 -4.99 115.22 117.93 1gpu n HIS 481 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 1gpu n HIS 481 Cb 0.22 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 1gpu n HIS 481 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1gpu s GLN 482 N -0.58 2.88 0.40 -0.41 -0.21 -0.91 -4.66 119.66 116.17 1gpu s GLN 482 Ca 0.01 -1.08 -0.26 0.00 0.02 0.00 0.00 55.36 54.05 1gpu s GLN 482 Cb 0.01 -3.86 -0.10 0.00 1.00 0.00 0.00 33.01 30.06 1gpu s GLN 482 CO 0.04 -0.75 1.35 -2.30 -2.12 0.00 0.00 175.29 171.51 1gpu n PRO 483 N 5.07 2.17 0.02 2.91 -0.02 -1.26 -4.70 135.00 139.19 1gpu n PRO 483 Ca -0.11 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1gpu n PRO 483 Cb 0.46 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1gpu n PRO 483 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1gpu n ILE 484 N 0.03 0.05 0.65 4.25 2.08 -1.26 -4.59 119.36 120.57 1gpu n ILE 484 Ca 0.05 0.02 0.11 0.00 0.56 0.00 0.00 62.75 63.49 1gpu n ILE 484 Cb 0.39 -0.78 -0.01 0.00 -0.75 0.00 0.00 39.64 38.49 1gpu n ILE 484 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1gpu n GLU 485 N -2.77 0.23 -0.09 0.38 0.00 -1.26 -0.50 120.64 116.63 1gpu n GLU 485 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 57.16 57.07 1gpu n GLU 485 Cb 0.12 -1.56 -0.00 0.00 0.00 0.00 0.00 31.44 30.00 1gpu n GLU 485 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1gpu h THR 486 N 0.00 0.39 -0.37 3.84 2.02 -1.95 -0.47 112.91 116.37 1gpu h THR 486 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1gpu h THR 486 Cb 0.68 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1gpu h THR 486 CO 0.00 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.86 1gpu h LEU 487 N -0.18 0.61 -0.89 2.58 3.38 -1.97 -2.62 115.31 116.22 1gpu h LEU 487 Ca 0.17 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1gpu h LEU 487 Cb 0.45 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 1gpu h LEU 487 CO -0.45 0.74 0.56 0.00 0.09 0.00 0.00 178.44 179.37 1gpu h ALA 488 N 0.90 1.23 0.66 1.53 0.00 -1.78 0.12 119.26 121.92 1gpu h ALA 488 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1gpu h ALA 488 Cb 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1gpu h ALA 488 CO 0.01 0.31 -0.49 1.25 0.00 0.00 0.00 179.25 180.33 1gpu h HIS 489 N 1.01 -1.31 0.00 0.00 -0.00 -0.88 -2.33 115.15 111.63 1gpu h HIS 489 Ca 0.39 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.73 1gpu h HIS 489 Cb 0.18 0.49 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1gpu h HIS 489 CO -0.03 -0.69 -0.13 0.74 -0.00 0.00 0.00 177.93 177.81 1gpu h PHE 490 N -1.10 0.00 0.00 5.26 0.04 -1.20 -1.94 116.94 118.00 1gpu h PHE 490 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1gpu h PHE 490 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1gpu h PHE 490 CO -0.16 0.13 0.00 0.00 -0.60 0.00 0.00 178.31 177.68 1gpu h ARG 491 N 0.00 0.00 -0.00 1.51 3.08 -0.61 -2.23 114.38 116.13 1gpu h ARG 491 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1gpu h ARG 491 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1gpu h ARG 491 CO 0.02 0.00 -0.48 0.43 -1.07 0.00 0.00 179.97 178.87 1gpu n SER 492 N -2.97 0.58 -4.69 7.04 7.64 -0.75 -4.82 113.62 115.66 1gpu n SER 492 Ca 0.02 -0.35 -0.39 0.00 1.01 0.00 0.00 58.87 59.16 1gpu n SER 492 Cb 0.37 0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.76 1gpu n SER 492 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1gpu s LEU 493 N -2.93 4.22 0.62 -3.43 2.96 -0.84 -5.04 118.68 114.23 1gpu s LEU 493 Ca 0.13 0.89 -0.18 0.00 -0.22 0.00 0.00 54.13 54.75 1gpu s LEU 493 Cb 0.18 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 1gpu s LEU 493 CO 0.68 -0.16 1.20 -2.84 -1.32 0.00 0.00 176.35 173.91 1gpu s PRO 494 N 1.31 2.82 -1.23 0.98 0.02 -1.26 -4.07 135.00 133.57 1gpu s PRO 494 Ca 0.30 1.79 -0.02 0.00 0.02 0.00 0.00 61.00 63.09 1gpu s PRO 494 Cb -0.16 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 1gpu s PRO 494 CO 0.12 -1.32 0.85 -1.71 -0.33 0.00 0.00 177.00 174.61 1gpu n ASN 495 N -1.84 -2.25 -3.71 2.53 5.15 -1.26 -4.69 115.26 109.18 1gpu n ASN 495 Ca 0.13 -0.73 -0.11 0.00 -0.60 0.00 0.00 54.58 53.27 1gpu n ASN 495 Cb 0.50 -4.59 -0.11 0.00 -0.53 0.00 0.00 39.78 35.04 1gpu n ASN 495 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1gpu s ILE 496 N -3.50 -0.03 0.11 -1.44 2.07 -1.26 -4.11 121.20 113.03 1gpu s ILE 496 Ca 0.07 0.10 -0.26 0.00 -1.41 0.00 0.00 60.65 59.14 1gpu s ILE 496 Cb -0.01 -0.54 -0.07 0.00 0.13 0.00 0.00 42.46 41.97 1gpu s ILE 496 CO 0.77 0.04 0.80 -1.10 -1.91 0.00 0.00 174.94 173.55 1gpu s GLN 497 N 1.22 4.57 -0.58 3.50 -0.21 -0.62 -4.67 119.66 122.87 1gpu s GLN 497 Ca -0.08 1.17 0.04 0.00 0.02 0.00 0.00 55.36 56.51 1gpu s GLN 497 Cb -0.08 -3.33 0.16 0.00 1.00 0.00 0.00 33.01 30.76 1gpu s GLN 497 CO -0.10 0.39 0.39 0.08 -2.12 0.00 0.00 175.29 173.93 1gpu s VAL 498 N -0.48 2.13 0.18 1.09 1.01 -1.26 -0.94 120.40 122.12 1gpu s VAL 498 Ca 0.39 -3.56 -0.30 0.00 0.00 0.00 0.00 61.98 58.51 1gpu s VAL 498 Cb -0.22 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.66 1gpu s VAL 498 CO 0.25 -1.00 0.98 0.26 0.00 0.00 0.00 175.10 175.59 1gpu s TRP 499 N -0.72 3.84 -0.40 5.22 0.52 0.45 -4.39 118.94 123.46 1gpu s TRP 499 Ca 0.24 1.81 0.07 0.00 0.02 0.00 0.00 56.10 58.25 1gpu s TRP 499 Cb -0.09 -3.07 0.23 0.00 -1.15 0.00 0.00 33.47 29.39 1gpu s TRP 499 CO -0.12 0.15 0.49 -2.13 0.02 0.00 0.00 176.95 175.35 1gpu n ARG 500 N 2.12 0.63 -1.70 4.98 0.63 -0.04 0.64 116.66 123.92 1gpu n ARG 500 Ca 0.00 -3.23 -0.44 0.00 -0.92 0.00 0.00 57.85 53.26 1gpu n ARG 500 Cb 0.48 -1.32 -0.03 0.00 0.45 0.00 0.00 32.46 32.04 1gpu n ARG 500 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1gpu n PRO 501 N 1.71 2.33 0.06 -0.14 -0.04 -1.26 -0.81 135.00 136.85 1gpu n PRO 501 Ca 0.23 0.83 -0.13 0.00 -0.04 0.00 0.00 63.50 64.39 1gpu n PRO 501 Cb 0.52 -2.56 -0.13 0.00 -0.04 0.00 0.00 33.50 31.28 1gpu n PRO 501 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gpu h ALA 502 N 4.85 0.32 -2.57 0.55 0.00 -1.90 -3.39 119.26 117.12 1gpu h ALA 502 Ca -0.45 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.41 1gpu h ALA 502 Cb 1.25 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1gpu h ALA 502 CO 0.80 1.19 0.00 -0.40 0.00 0.00 0.00 179.25 180.85 1gpu n ASP 503 N -3.39 0.00 -0.07 0.00 5.75 -1.26 -4.70 116.55 112.88 1gpu n ASP 503 Ca -0.10 -0.66 -0.08 0.00 -0.01 0.00 0.00 54.79 53.93 1gpu n ASP 503 Cb 1.01 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 41.08 1gpu n ASP 503 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1gpu h GLY 504 N 0.00 -0.23 1.12 6.12 0.00 -1.91 -0.51 103.07 107.67 1gpu h GLY 504 Ca 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 1gpu h GLY 504 CO 0.00 -0.21 0.16 3.43 0.00 0.00 0.00 176.54 179.92 1gpu h ASN 505 N -0.27 1.03 -0.16 0.19 2.35 -1.89 -2.60 115.58 114.22 1gpu h ASN 505 Ca 0.15 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 1gpu h ASN 505 Cb 0.50 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1gpu h ASN 505 CO -0.44 0.99 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.90 1gpu h GLU 506 N 1.03 0.51 -0.68 0.81 5.08 -1.73 -1.32 114.58 118.29 1gpu h GLU 506 Ca 0.21 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1gpu h GLU 506 Cb 0.37 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1gpu h GLU 506 CO 0.00 0.62 0.24 0.28 -1.00 0.00 0.00 179.01 179.15 1gpu h VAL 507 N 0.48 1.25 -0.29 3.13 2.07 -0.75 0.16 116.25 122.29 1gpu h VAL 507 Ca 0.09 -0.82 -0.11 0.00 0.82 0.00 0.00 66.70 66.68 1gpu h VAL 507 Cb 0.48 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1gpu h VAL 507 CO 0.03 0.32 -0.28 0.28 0.02 0.00 0.00 177.57 177.94 1gpu h SER 508 N 0.98 0.59 -0.44 0.57 0.02 -1.09 -1.84 113.55 112.34 1gpu h SER 508 Ca 0.22 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1gpu h SER 508 Cb 0.26 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1gpu h SER 508 CO -0.01 0.85 0.15 0.00 -1.14 0.00 0.00 176.83 176.68 1gpu h ALA 509 N 1.20 0.57 -0.34 3.77 0.00 -0.78 0.16 119.26 123.83 1gpu h ALA 509 Ca 0.07 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1gpu h ALA 509 Cb 0.74 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1gpu h ALA 509 CO 0.06 0.20 0.10 0.00 0.00 0.00 0.00 179.25 179.61 1gpu h ALA 510 N 1.00 0.39 -0.22 0.00 0.00 -0.67 -0.35 119.26 119.41 1gpu h ALA 510 Ca 0.14 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1gpu h ALA 510 Cb 0.23 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1gpu h ALA 510 CO -0.01 -0.30 -0.42 1.88 0.00 0.00 0.00 179.25 180.40 1gpu h TYR 511 N 0.23 0.62 0.23 0.00 0.05 -1.14 -0.95 116.97 116.03 1gpu h TYR 511 Ca 0.16 -0.18 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 1gpu h TYR 511 Cb 0.15 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.76 1gpu h TYR 511 CO -0.16 0.86 -0.11 -0.22 -1.05 0.00 0.00 178.16 177.48 1gpu h LYS 512 N 0.43 -0.30 -0.65 4.88 3.64 -0.07 -0.56 116.57 123.93 1gpu h LYS 512 Ca 0.03 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 1gpu h LYS 512 Cb 0.92 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 1gpu h LYS 512 CO 0.08 -0.14 0.10 -0.91 -2.27 0.00 0.00 179.45 176.31 1gpu h ASN 513 N -0.39 1.04 -0.37 4.20 4.21 -1.08 -1.92 115.58 121.26 1gpu h ASN 513 Ca -0.03 -0.25 -0.05 0.00 1.21 0.00 0.00 56.30 57.18 1gpu h ASN 513 Cb 0.30 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1gpu h ASN 513 CO 0.05 1.03 0.04 0.28 -1.29 0.00 0.00 177.43 177.55 1gpu h SER 514 N 1.01 0.60 0.26 5.81 0.02 -1.05 -2.01 113.55 118.19 1gpu h SER 514 Ca 0.20 -0.27 -0.17 0.00 -0.84 0.00 0.00 61.79 60.71 1gpu h SER 514 Cb 0.44 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1gpu h SER 514 CO 0.01 0.72 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.70 1gpu h LEU 515 N 0.46 0.43 -0.55 5.07 3.38 -1.07 -3.05 115.31 119.98 1gpu h LEU 515 Ca 0.11 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1gpu h LEU 515 Cb 0.39 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1gpu h LEU 515 CO 0.01 0.98 0.00 -0.33 0.09 0.00 0.00 178.44 179.19 1gpu h GLU 516 N 0.27 0.00 -6.71 1.13 5.08 -1.32 -3.45 114.58 109.57 1gpu h GLU 516 Ca -0.02 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.80 1gpu h GLU 516 Cb 1.21 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.54 1gpu h GLU 516 CO 0.11 0.00 0.87 0.45 -1.00 0.00 0.00 179.01 179.44 1gpu n SER 517 N -2.92 3.66 -0.08 1.42 2.88 -0.76 -4.92 113.62 112.90 1gpu n SER 517 Ca 0.03 1.12 -0.09 0.00 -1.33 0.00 0.00 58.87 58.60 1gpu n SER 517 Cb 0.42 -1.55 -0.12 0.00 -0.75 0.00 0.00 64.21 62.20 1gpu n SER 517 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1gpu n LYS 518 N 2.67 1.25 -0.13 -1.46 5.02 -1.26 -4.74 118.16 119.50 1gpu n LYS 518 Ca 0.11 0.01 0.03 0.00 -2.02 0.00 0.00 58.31 56.44 1gpu n LYS 518 Cb 0.35 -1.42 0.04 0.00 -0.02 0.00 0.00 35.03 33.98 1gpu n LYS 518 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1gpu n HIS 519 N -2.66 0.00 -3.83 2.13 8.25 -1.26 -4.40 115.22 113.44 1gpu n HIS 519 Ca -0.28 -0.42 -0.23 0.00 -0.26 0.00 0.00 57.72 56.53 1gpu n HIS 519 Cb 1.01 -0.07 -0.17 0.00 1.12 0.00 0.00 29.99 31.88 1gpu n HIS 519 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1gpu s THR 520 N -1.09 0.45 1.08 1.59 2.01 -1.26 -4.33 115.64 114.09 1gpu s THR 520 Ca 0.09 0.05 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 1gpu s THR 520 Cb 0.08 -0.58 0.23 0.00 0.01 0.00 0.00 72.50 72.24 1gpu s THR 520 CO 0.01 0.26 1.07 -2.16 -0.69 0.00 0.00 174.62 173.12 1gpu s PRO 521 N 1.80 -0.22 -0.06 4.92 0.04 -1.20 -4.43 135.00 135.85 1gpu s PRO 521 Ca 0.03 0.49 -0.08 0.00 0.04 0.00 0.00 61.00 61.48 1gpu s PRO 521 Cb -0.13 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.77 1gpu s PRO 521 CO -0.05 -3.16 0.21 0.45 0.04 0.00 0.00 177.00 174.49 1gpu s SER 522 N -3.28 -0.18 -0.17 6.66 0.15 0.16 -1.59 113.70 115.45 1gpu s SER 522 Ca 0.67 0.32 0.01 0.00 0.70 0.00 0.00 55.95 57.65 1gpu s SER 522 Cb -0.19 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1gpu s SER 522 CO 0.59 -0.14 -0.20 -0.63 1.20 0.00 0.00 173.24 174.06 1gpu s ILE 523 N -0.20 2.01 -0.39 6.45 1.01 -0.12 -0.34 121.20 129.63 1gpu s ILE 523 Ca -0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.62 1gpu s ILE 523 Cb -0.03 -1.82 0.06 0.00 0.01 0.00 0.00 42.46 40.69 1gpu s ILE 523 CO 0.01 0.53 0.20 -0.63 0.00 0.00 0.00 174.94 175.05 1gpu s ILE 524 N 1.25 4.07 -0.26 2.92 1.01 0.24 -0.41 121.20 130.02 1gpu s ILE 524 Ca 0.04 -1.27 -0.26 0.00 0.00 0.00 0.00 60.65 59.15 1gpu s ILE 524 Cb -0.13 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1gpu s ILE 524 CO -0.12 -0.37 0.93 0.00 0.00 0.00 0.00 174.94 175.38 1gpu s ALA 525 N 1.42 3.61 0.15 9.38 0.00 0.21 -1.37 121.76 135.17 1gpu s ALA 525 Ca 0.02 -0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.00 1gpu s ALA 525 Cb -0.21 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1gpu s ALA 525 CO 0.03 -1.11 -0.20 -0.51 0.00 0.00 0.00 175.76 173.97 1gpu s LEU 526 N 3.11 2.60 0.30 0.00 1.43 0.73 -4.07 118.68 122.78 1gpu s LEU 526 Ca 0.39 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.87 1gpu s LEU 526 Cb -0.14 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1gpu s LEU 526 CO 0.09 0.15 0.33 -0.94 0.23 0.00 0.00 176.35 176.21 1gpu s SER 527 N -2.39 5.71 -0.03 2.29 1.04 -1.26 -1.28 113.70 117.78 1gpu s SER 527 Ca 0.19 -0.26 0.16 0.00 0.48 0.00 0.00 55.95 56.52 1gpu s SER 527 Cb -0.09 -1.30 -0.25 0.00 0.10 0.00 0.00 66.02 64.48 1gpu s SER 527 CO 0.10 -0.25 0.34 -1.14 0.98 0.00 0.00 173.24 173.27 1gpu n ARG 528 N -1.41 0.54 -2.72 4.02 0.63 -1.26 -1.73 116.66 114.73 1gpu n ARG 528 Ca -0.04 -0.14 -0.33 0.00 -0.92 0.00 0.00 57.85 56.42 1gpu n ARG 528 Cb 0.58 -1.38 -0.06 0.00 0.45 0.00 0.00 32.46 32.05 1gpu n ARG 528 CO 0.00 0.00 0.00 1.14 -2.51 0.00 0.00 177.63 176.26 1gpu s GLN 529 N -3.08 4.16 0.30 -0.14 0.00 -1.26 -4.75 119.66 114.89 1gpu s GLN 529 Ca -0.06 1.09 -0.29 0.00 -0.00 0.00 0.00 55.36 56.10 1gpu s GLN 529 Cb 0.10 -2.17 -0.10 0.00 0.00 0.00 0.00 33.01 30.85 1gpu s GLN 529 CO 0.67 -0.09 1.15 -0.80 0.00 0.00 0.00 175.29 176.21 1gpu s ASN 530 N -2.37 7.09 0.03 12.60 0.01 -1.26 -4.03 114.94 127.01 1gpu s ASN 530 Ca 0.61 2.36 0.04 0.00 -0.71 0.00 0.00 52.86 55.17 1gpu s ASN 530 Cb -0.09 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 1gpu s ASN 530 CO 0.17 -0.28 -0.12 -0.76 -1.51 0.00 0.00 177.10 174.60 1gpu s LEU 531 N -1.64 2.14 0.58 0.60 1.43 -0.86 -4.86 118.68 116.08 1gpu s LEU 531 Ca 0.47 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 1gpu s LEU 531 Cb -0.33 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 1gpu s LEU 531 CO 0.43 0.03 1.04 -2.16 0.23 0.00 0.00 176.35 175.92 1gpu s PRO 532 N -0.93 3.48 -0.35 1.29 0.04 -1.26 -0.54 135.00 136.73 1gpu s PRO 532 Ca 0.01 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.84 1gpu s PRO 532 Cb -0.07 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.42 1gpu s PRO 532 CO 0.01 -0.67 1.18 -0.65 0.04 0.00 0.00 177.00 176.91 1gpu s GLN 533 N -4.22 3.92 0.33 4.56 -1.52 -1.26 -4.78 119.66 116.69 1gpu s GLN 533 Ca 0.61 1.02 -0.29 0.00 -1.95 0.00 0.00 55.36 54.76 1gpu s GLN 533 Cb -0.14 -3.83 -0.10 0.00 -0.22 0.00 0.00 33.01 28.72 1gpu s GLN 533 CO 0.38 -1.11 1.31 -0.51 -0.25 0.00 0.00 175.29 175.12 1gpu s LEU 534 N 4.15 4.42 -0.41 2.90 1.43 -1.26 -4.26 118.68 125.65 1gpu s LEU 534 Ca 0.50 2.70 -0.26 0.00 -1.03 0.00 0.00 54.13 56.05 1gpu s LEU 534 Cb -0.13 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1gpu s LEU 534 CO 0.22 -0.55 0.93 -0.70 0.23 0.00 0.00 176.35 176.49 1gpu s GLU 535 N -1.79 3.71 0.00 1.70 2.56 -1.26 -3.32 118.70 120.30 1gpu s GLU 535 Ca 0.49 0.41 0.00 0.00 0.00 0.00 0.00 54.97 55.87 1gpu s GLU 535 Cb -0.40 -3.86 0.00 0.00 2.00 0.00 0.00 34.13 31.87 1gpu s GLU 535 CO 0.53 -1.07 0.00 0.41 -0.56 0.00 0.00 175.26 174.57 1gpu n GLY 536 N 4.62 1.20 3.90 -1.50 0.00 -1.26 -4.72 105.19 107.42 1gpu n GLY 536 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1gpu n GLY 536 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gpu s SER 537 N -1.40 6.46 -0.05 1.61 1.04 -1.21 -4.76 113.70 115.39 1gpu s SER 537 Ca 0.00 0.85 -0.29 0.00 0.48 0.00 0.00 55.95 56.99 1gpu s SER 537 Cb 0.00 -2.20 0.10 0.00 0.10 0.00 0.00 66.02 64.02 1gpu s SER 537 CO 0.00 -0.27 0.86 -0.94 0.98 0.00 0.00 173.24 173.86 1gpu s SER 538 N -3.20 -0.44 0.14 7.02 1.04 -1.26 -4.98 113.70 112.02 1gpu s SER 538 Ca 0.46 0.28 -0.16 0.00 0.48 0.00 0.00 55.95 57.01 1gpu s SER 538 Cb -0.11 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1gpu s SER 538 CO 0.31 -0.56 1.74 0.40 0.98 0.00 0.00 173.24 176.11 1gpu h ILE 539 N 2.38 1.16 -0.17 -1.02 2.04 -1.98 -1.12 117.51 118.81 1gpu h ILE 539 Ca -0.23 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1gpu h ILE 539 Cb 1.20 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 1gpu h ILE 539 CO 0.33 0.17 -0.15 -0.08 0.00 0.00 0.00 178.15 178.42 1gpu h GLU 540 N 0.53 -0.17 -0.20 2.37 4.81 -1.96 0.70 114.58 120.65 1gpu h GLU 540 Ca 0.14 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1gpu h GLU 540 Cb 0.08 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1gpu h GLU 540 CO -0.02 -0.11 -0.08 0.77 -0.73 0.00 0.00 179.01 178.84 1gpu h SER 541 N -0.17 0.41 0.31 1.04 0.02 -1.94 -3.04 113.55 110.18 1gpu h SER 541 Ca 0.11 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1gpu h SER 541 Cb 0.33 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1gpu h SER 541 CO -0.27 0.71 -0.15 0.00 -1.14 0.00 0.00 176.83 175.99 1gpu h ALA 542 N 0.71 1.39 0.00 3.77 0.00 -1.06 -1.67 119.26 122.41 1gpu h ALA 542 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1gpu h ALA 542 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gpu h ALA 542 CO 0.03 0.18 0.00 0.43 0.00 0.00 0.00 179.25 179.89 1gpu n SER 543 N -3.83 0.00 -0.62 0.00 7.64 0.22 -1.26 113.62 115.77 1gpu n SER 543 Ca -0.02 0.36 0.13 0.00 1.01 0.00 0.00 58.87 60.34 1gpu n SER 543 Cb 0.25 -0.41 0.40 0.00 -1.01 0.00 0.00 64.21 63.43 1gpu n SER 543 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1gpu n LYS 544 N -1.41 1.85 0.00 1.43 5.02 -0.63 -4.95 118.16 119.47 1gpu n LYS 544 Ca 0.03 -1.25 0.00 0.00 -2.02 0.00 0.00 58.31 55.08 1gpu n LYS 544 Cb 0.10 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 1gpu n LYS 544 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gpu n GLY 545 N 1.22 2.61 3.59 0.72 0.00 -0.39 -3.38 105.19 109.56 1gpu n GLY 545 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1gpu n GLY 545 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gpu s GLY 546 N -0.37 -0.52 0.20 -0.02 0.00 -1.26 -1.73 107.32 103.61 1gpu s GLY 546 Ca 0.00 1.90 -0.23 0.00 0.00 0.00 0.00 44.72 46.39 1gpu s GLY 546 CO 0.00 1.63 0.81 -2.52 0.00 0.00 0.00 173.10 173.02 1gpu s TYR 547 N 0.25 -0.21 -0.45 1.90 1.13 -0.55 -4.95 117.35 114.48 1gpu s TYR 547 Ca -0.01 -0.14 -0.25 0.00 -1.41 0.00 0.00 57.07 55.26 1gpu s TYR 547 Cb -0.04 0.66 0.03 0.00 -1.10 0.00 0.00 41.96 41.50 1gpu s TYR 547 CO 0.02 -0.99 0.89 0.08 -2.51 0.00 0.00 175.55 173.03 1gpu s VAL 548 N -3.60 4.53 -0.11 -3.49 1.01 -1.26 -1.31 120.40 116.17 1gpu s VAL 548 Ca 0.10 0.71 -0.27 0.00 0.00 0.00 0.00 61.98 62.53 1gpu s VAL 548 Cb -0.03 -4.39 -0.23 0.00 0.00 0.00 0.00 36.38 31.72 1gpu s VAL 548 CO 0.02 -0.77 0.84 0.25 0.00 0.00 0.00 175.10 175.44 1gpu h LEU 549 N 10.40 -0.01 -7.59 3.92 5.85 -1.26 -3.44 115.31 123.19 1gpu h LEU 549 Ca -0.24 -0.82 -0.59 0.00 0.84 0.00 0.00 57.88 57.07 1gpu h LEU 549 Cb 1.08 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.73 1gpu h LEU 549 CO 1.00 0.84 -0.78 -1.58 -0.34 0.00 0.00 178.44 177.58 1gpu s GLN 550 N -2.66 1.47 0.39 1.25 0.74 -0.82 -4.48 119.66 115.55 1gpu s GLN 550 Ca -0.17 -0.82 0.04 0.00 0.05 0.00 0.00 55.36 54.45 1gpu s GLN 550 Cb -0.02 -2.42 -0.01 0.00 1.10 0.00 0.00 33.01 31.67 1gpu s GLN 550 CO 0.65 -0.57 0.56 0.34 -0.55 0.00 0.00 175.29 175.72 1gpu s ASP 551 N 1.50 5.91 -0.22 6.67 -1.08 -1.26 -0.59 116.67 127.60 1gpu s ASP 551 Ca -0.04 0.04 -0.27 0.00 -0.52 0.00 0.00 52.55 51.76 1gpu s ASP 551 Cb -0.18 -1.38 0.11 0.00 -1.46 0.00 0.00 42.92 40.00 1gpu s ASP 551 CO -0.07 -0.55 0.92 0.54 0.52 0.00 0.00 175.17 176.53 1gpu s VAL 552 N -2.35 0.00 0.21 1.11 0.11 -1.26 -4.96 120.40 113.26 1gpu s VAL 552 Ca 0.46 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.21 1gpu s VAL 552 Cb -0.10 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.67 1gpu s VAL 552 CO 0.34 0.00 1.28 0.00 -3.33 0.00 0.00 175.10 173.39 1gpu s ALA 553 N -0.26 3.50 -1.06 1.54 0.00 -1.26 -3.89 121.76 120.33 1gpu s ALA 553 Ca -0.00 1.08 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 1gpu s ALA 553 Cb -0.03 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.65 1gpu s ALA 553 CO -0.01 -0.50 0.69 0.09 0.00 0.00 0.00 175.76 176.03 1gpu n ASN 554 N 2.37 -4.84 -4.75 0.00 4.13 -1.26 -4.90 115.26 106.02 1gpu n ASN 554 Ca 0.05 -1.07 -0.35 0.00 1.68 0.00 0.00 54.58 54.88 1gpu n ASN 554 Cb 0.43 -2.26 0.05 0.00 -1.54 0.00 0.00 39.78 36.46 1gpu n ASN 554 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1gpu s PRO 555 N -6.14 2.73 0.27 3.52 0.04 -1.25 -4.91 135.00 129.27 1gpu s PRO 555 Ca 0.32 1.78 0.23 0.00 0.04 0.00 0.00 61.00 63.37 1gpu s PRO 555 Cb -0.16 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.71 1gpu s PRO 555 CO 0.91 -1.38 1.33 -0.44 0.04 0.00 0.00 177.00 177.47 1gpu h ASP 556 N 0.50 0.00 -4.67 6.66 3.32 -0.25 -3.47 116.42 118.52 1gpu h ASP 556 Ca -0.49 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.55 1gpu h ASP 556 Cb 1.29 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.66 1gpu h ASP 556 CO 0.54 0.02 0.37 -0.51 -1.72 0.00 0.00 179.24 177.93 1gpu s ILE 557 N -3.26 0.00 -0.15 0.35 2.07 -1.04 -4.42 121.20 114.75 1gpu s ILE 557 Ca 0.04 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1gpu s ILE 557 Cb 0.09 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1gpu s ILE 557 CO 0.72 0.00 -0.10 -0.63 -1.91 0.00 0.00 174.94 173.02 1gpu s ILE 558 N -2.09 3.19 -0.34 2.00 1.01 0.01 -1.56 121.20 123.42 1gpu s ILE 558 Ca -0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 1gpu s ILE 558 Cb -0.01 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 40.10 1gpu s ILE 558 CO -0.01 0.50 0.20 -0.76 0.00 0.00 0.00 174.94 174.87 1gpu s LEU 559 N 0.59 4.44 -0.20 2.97 1.43 0.42 -1.26 118.68 127.06 1gpu s LEU 559 Ca -0.06 -0.66 -0.06 0.00 -1.03 0.00 0.00 54.13 52.32 1gpu s LEU 559 Cb -0.15 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 1gpu s LEU 559 CO 0.03 -0.27 0.01 0.54 0.23 0.00 0.00 176.35 176.89 1gpu s VAL 560 N 1.63 4.07 0.29 -1.59 0.11 -0.60 -0.40 120.40 123.92 1gpu s VAL 560 Ca 0.04 -0.27 0.03 0.00 -2.93 0.00 0.00 61.98 58.85 1gpu s VAL 560 Cb -0.18 -2.85 -0.03 0.00 -1.53 0.00 0.00 36.38 31.79 1gpu s VAL 560 CO 0.08 0.42 0.27 0.00 -3.33 0.00 0.00 175.10 172.54 1gpu s ALA 561 N 1.02 1.43 0.12 1.54 0.00 -0.38 -0.63 121.76 124.85 1gpu s ALA 561 Ca 0.02 -1.84 0.00 0.00 0.00 0.00 0.00 51.96 50.14 1gpu s ALA 561 Cb -0.14 1.39 -0.04 0.00 0.00 0.00 0.00 23.12 24.33 1gpu s ALA 561 CO 0.02 -0.67 -0.00 0.95 0.00 0.00 0.00 175.76 176.06 1gpu s THR 562 N -3.61 0.39 0.00 0.00 -4.23 -1.23 -1.07 115.64 105.89 1gpu s THR 562 Ca 0.38 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1gpu s THR 562 Cb 0.03 -1.87 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1gpu s THR 562 CO 0.22 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.23 1gpu n GLY 563 N -0.07 2.36 0.31 3.99 0.00 0.01 -1.11 105.19 110.69 1gpu n GLY 563 Ca -0.09 0.08 0.21 0.00 0.00 0.00 0.00 46.02 46.22 1gpu n GLY 563 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gpu h SER 564 N 0.00 0.00 0.62 1.61 4.64 -1.84 -2.32 113.55 116.25 1gpu h SER 564 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gpu h SER 564 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1gpu h SER 564 CO 0.00 0.00 -0.19 -0.62 -0.87 0.00 0.00 176.83 175.15 1gpu n GLU 565 N -2.95 0.26 -0.02 4.77 4.71 -0.27 -3.60 120.64 123.53 1gpu n GLU 565 Ca -0.03 -0.09 -0.13 0.00 -0.01 0.00 0.00 57.16 56.91 1gpu n GLU 565 Cb 0.07 -1.50 -0.09 0.00 -1.01 0.00 0.00 31.44 28.91 1gpu n GLU 565 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1gpu h VAL 566 N 0.21 1.38 -0.79 2.62 2.07 -1.40 -0.37 116.25 119.98 1gpu h VAL 566 Ca 0.00 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1gpu h VAL 566 Cb 0.45 2.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 1gpu h VAL 566 CO 0.00 0.31 0.48 0.77 0.02 0.00 0.00 177.57 179.15 1gpu h SER 567 N -0.41 0.95 -0.90 0.57 4.64 -1.75 -0.25 113.55 116.40 1gpu h SER 567 Ca 0.00 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1gpu h SER 567 Cb 0.52 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.33 1gpu h SER 567 CO 0.01 0.73 0.54 0.25 -0.87 0.00 0.00 176.83 177.49 1gpu h LEU 568 N 1.09 1.09 -0.80 5.97 5.85 -1.59 -0.91 115.31 126.00 1gpu h LEU 568 Ca 0.28 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.81 1gpu h LEU 568 Cb -0.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1gpu h LEU 568 CO -0.05 0.84 -0.57 0.28 -0.34 0.00 0.00 178.44 178.59 1gpu h SER 569 N 1.25 0.10 -0.42 1.25 0.02 -0.04 0.04 113.55 115.75 1gpu h SER 569 Ca 0.32 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1gpu h SER 569 Cb -0.05 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1gpu h SER 569 CO -0.06 0.65 0.04 0.58 -1.14 0.00 0.00 176.83 176.90 1gpu h VAL 570 N 0.07 1.25 -0.42 2.27 2.07 -0.39 0.06 116.25 121.16 1gpu h VAL 570 Ca -0.00 -0.94 -0.11 0.00 0.82 0.00 0.00 66.70 66.46 1gpu h VAL 570 Cb 1.02 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1gpu h VAL 570 CO 0.08 0.32 -0.18 -0.33 0.02 0.00 0.00 177.57 177.49 1gpu h GLU 571 N 0.55 0.81 -0.56 1.57 4.39 -0.96 -2.51 114.58 117.87 1gpu h GLU 571 Ca 0.12 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.49 1gpu h GLU 571 Cb 0.42 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1gpu h GLU 571 CO 0.01 0.93 0.25 0.00 -1.16 0.00 0.00 179.01 179.04 1gpu h ALA 572 N 1.08 1.38 -0.19 3.43 0.00 -0.64 -1.61 119.26 122.71 1gpu h ALA 572 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1gpu h ALA 572 Cb 0.69 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1gpu h ALA 572 CO 0.05 0.48 -0.07 0.00 0.00 0.00 0.00 179.25 179.70 1gpu h ALA 573 N 1.48 1.53 -0.36 0.00 0.00 -0.56 -0.61 119.26 120.74 1gpu h ALA 573 Ca 0.19 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1gpu h ALA 573 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gpu h ALA 573 CO -0.02 0.34 -0.07 0.87 0.00 0.00 0.00 179.25 180.37 1gpu h LYS 574 N 0.28 0.68 -0.56 0.00 1.57 -1.05 0.41 116.57 117.90 1gpu h LYS 574 Ca 0.06 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1gpu h LYS 574 Cb 0.31 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1gpu h LYS 574 CO 0.01 0.83 0.34 1.15 -0.57 0.00 0.00 179.45 181.21 1gpu h THR 575 N 0.47 1.17 -0.65 -0.16 2.02 -0.99 -1.77 112.91 113.00 1gpu h THR 575 Ca 0.09 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1gpu h THR 575 Cb 0.57 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1gpu h THR 575 CO 0.03 0.17 0.14 -0.07 0.37 0.00 0.00 175.52 176.17 1gpu h LEU 576 N 0.75 1.01 -1.40 2.58 3.38 -0.95 -2.58 115.31 118.10 1gpu h LEU 576 Ca 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1gpu h LEU 576 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1gpu h LEU 576 CO -0.04 0.99 0.20 0.00 0.09 0.00 0.00 178.44 179.68 1gpu h ALA 577 N 1.05 1.54 0.00 1.53 0.00 -0.56 0.12 119.26 122.95 1gpu h ALA 577 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1gpu h ALA 577 Cb 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gpu h ALA 577 CO 0.01 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1gpu h ALA 578 N 1.62 1.00 -0.41 0.00 0.00 -0.92 -0.21 119.26 120.34 1gpu h ALA 578 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1gpu h ALA 578 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1gpu h ALA 578 CO -0.02 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.86 1gpu n LYS 579 N -2.46 3.26 -3.27 0.00 5.02 0.23 -4.95 118.16 115.99 1gpu n LYS 579 Ca 0.00 -2.65 -0.21 0.00 -2.02 0.00 0.00 58.31 53.43 1gpu n LYS 579 Cb 0.16 -1.72 0.06 0.00 -0.02 0.00 0.00 35.03 33.50 1gpu n LYS 579 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1gpu n ASN 580 N 0.29 -5.87 -4.24 4.39 2.85 -0.09 -5.00 115.26 107.58 1gpu n ASN 580 Ca 0.20 -0.39 -0.32 0.00 -0.11 0.00 0.00 54.58 53.96 1gpu n ASN 580 Cb 0.78 -4.57 -0.17 0.00 1.24 0.00 0.00 39.78 37.06 1gpu n ASN 580 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1gpu s ILE 581 N -3.22 2.22 -0.23 -1.44 1.01 -0.07 -4.99 121.20 114.47 1gpu s ILE 581 Ca 0.43 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1gpu s ILE 581 Cb -0.19 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.38 1gpu s ILE 581 CO 0.53 0.55 0.36 -0.54 0.00 0.00 0.00 174.94 175.84 1gpu s LYS 582 N 0.37 4.10 -0.11 2.79 1.02 -1.26 -2.75 119.74 123.90 1gpu s LYS 582 Ca -0.17 0.08 0.02 0.00 0.02 0.00 0.00 55.97 55.92 1gpu s LYS 582 Cb -0.18 -3.58 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1gpu s LYS 582 CO 0.08 -0.12 -0.17 0.00 -0.92 0.00 0.00 175.35 174.22 1gpu s ALA 583 N 1.57 1.80 -0.02 5.17 0.00 -1.26 0.55 121.76 129.57 1gpu s ALA 583 Ca 0.16 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 1gpu s ALA 583 Cb -0.15 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1gpu s ALA 583 CO 0.08 -0.02 0.45 0.50 0.00 0.00 0.00 175.76 176.77 1gpu s ARG 584 N 0.87 4.10 -0.21 0.00 3.52 -0.60 -4.81 118.95 121.82 1gpu s ARG 584 Ca -0.08 0.47 -0.05 0.00 -0.13 0.00 0.00 55.73 55.94 1gpu s ARG 584 Cb -0.15 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 1gpu s ARG 584 CO -0.00 0.52 0.00 0.08 -0.81 0.00 0.00 175.30 175.09 1gpu s VAL 585 N -0.57 3.95 -0.10 7.11 1.01 0.24 -0.43 120.40 131.60 1gpu s VAL 585 Ca 0.25 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.93 1gpu s VAL 585 Cb -0.17 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1gpu s VAL 585 CO 0.13 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 1gpu s VAL 586 N 1.10 3.25 -0.18 2.92 1.01 0.46 -0.79 120.40 128.17 1gpu s VAL 586 Ca 0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 1gpu s VAL 586 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1gpu s VAL 586 CO 0.02 0.55 0.03 -0.55 0.00 0.00 0.00 175.10 175.15 1gpu s SER 587 N -0.12 5.34 -0.61 3.32 0.15 -0.43 -1.26 113.70 120.09 1gpu s SER 587 Ca -0.00 -0.00 0.06 0.00 0.70 0.00 0.00 55.95 56.70 1gpu s SER 587 Cb -0.13 -1.91 0.29 0.00 -1.71 0.00 0.00 66.02 62.56 1gpu s SER 587 CO 0.03 0.16 0.83 0.18 1.20 0.00 0.00 173.24 175.64 1gpu n LEU 588 N 3.63 4.07 -0.34 3.45 7.99 -0.23 -1.48 117.00 134.09 1gpu n LEU 588 Ca -0.17 -5.55 0.22 0.00 -0.01 0.00 0.00 56.01 50.50 1gpu n LEU 588 Cb 0.52 -0.62 0.46 0.00 -0.11 0.00 0.00 43.42 43.67 1gpu n LEU 588 CO 0.34 2.18 1.18 -0.65 -1.51 0.00 0.00 177.39 178.93 1gpu h PRO 589 N 3.68 0.43 -2.38 3.23 0.11 -1.66 -3.40 132.00 132.02 1gpu h PRO 589 Ca 0.17 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.10 1gpu h PRO 589 Cb 0.59 -0.10 -0.30 0.00 0.11 0.00 0.00 31.00 31.31 1gpu h PRO 589 CO 0.83 0.29 -0.46 0.34 -0.21 0.00 0.00 178.00 178.79 1gpu s ASP 590 N -5.12 0.15 0.16 -2.05 2.15 -0.71 -0.86 116.67 110.39 1gpu s ASP 590 Ca -0.10 0.57 -0.17 0.00 0.43 0.00 0.00 52.55 53.28 1gpu s ASP 590 Cb 0.27 1.07 0.07 0.00 -0.30 0.00 0.00 42.92 44.03 1gpu s ASP 590 CO 0.80 -0.26 1.72 -0.26 -0.17 0.00 0.00 175.17 176.99 1gpu h PHE 591 N 8.21 0.06 0.21 -5.34 -1.00 -1.78 -1.19 116.94 116.12 1gpu h PHE 591 Ca -0.17 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.65 1gpu h PHE 591 Cb 1.13 0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.68 1gpu h PHE 591 CO 0.24 -0.01 -0.38 0.35 -1.61 0.00 0.00 178.31 176.89 1gpu h PHE 592 N 0.15 -1.05 -0.94 -0.55 3.57 -1.90 0.51 116.94 116.73 1gpu h PHE 592 Ca 0.17 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1gpu h PHE 592 Cb 0.21 0.43 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1gpu h PHE 592 CO -0.21 -0.50 0.61 1.15 -2.23 0.00 0.00 178.31 177.13 1gpu h THR 593 N -0.68 1.24 -0.20 4.41 2.02 -1.86 -2.39 112.91 115.46 1gpu h THR 593 Ca 0.01 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1gpu h THR 593 Cb 0.66 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1gpu h THR 593 CO -0.17 0.24 0.11 0.15 0.37 0.00 0.00 175.52 176.22 1gpu h PHE 594 N 1.27 0.28 0.00 3.16 3.57 -0.87 -2.16 116.94 122.20 1gpu h PHE 594 Ca 0.34 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.83 1gpu h PHE 594 Cb -0.13 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 1gpu h PHE 594 CO -0.00 0.27 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.89 1gpu h ASP 595 N 0.22 0.00 1.41 0.41 3.32 -0.55 -1.40 116.42 119.83 1gpu h ASP 595 Ca 0.07 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1gpu h ASP 595 Cb 0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1gpu h ASP 595 CO -0.01 0.01 -0.16 0.11 -1.72 0.00 0.00 179.24 177.47 1gpu h LYS 596 N 0.00 0.00 -7.20 3.56 1.79 -0.89 -3.46 116.57 110.37 1gpu h LYS 596 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 1gpu h LYS 596 Cb 0.04 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.80 1gpu h LYS 596 CO 0.00 0.16 0.38 -0.65 -1.08 0.00 0.00 179.45 178.26 1gpu s GLN 597 N -3.37 2.70 0.51 3.15 -1.52 -0.53 -4.96 119.66 115.64 1gpu s GLN 597 Ca 0.03 1.44 -0.23 0.00 -1.95 0.00 0.00 55.36 54.65 1gpu s GLN 597 Cb 0.08 -1.93 -0.06 0.00 -0.22 0.00 0.00 33.01 30.87 1gpu s GLN 597 CO 0.65 -1.34 1.39 -1.25 -0.25 0.00 0.00 175.29 174.49 1gpu s PRO 598 N -4.07 3.35 0.37 2.91 0.04 -1.26 -4.77 135.00 131.57 1gpu s PRO 598 Ca 0.68 2.31 0.15 0.00 0.04 0.00 0.00 61.00 64.18 1gpu s PRO 598 Cb -0.22 -2.42 1.00 0.00 0.04 0.00 0.00 34.50 32.91 1gpu s PRO 598 CO 0.42 -1.05 1.77 1.25 0.04 0.00 0.00 177.00 179.43 1gpu h LEU 599 N 1.80 0.54 -0.44 -3.56 5.85 -1.93 0.08 115.31 117.66 1gpu h LEU 599 Ca -0.51 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.36 1gpu h LEU 599 Cb 1.29 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 1gpu h LEU 599 CO 0.59 0.12 0.16 -0.33 -0.34 0.00 0.00 178.44 178.64 1gpu h GLU 600 N 0.49 0.32 -0.12 1.25 5.08 -1.99 -0.19 114.58 119.42 1gpu h GLU 600 Ca 0.60 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.91 1gpu h GLU 600 Cb 1.34 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1gpu h GLU 600 CO -0.34 0.21 -0.03 -0.92 -1.00 0.00 0.00 179.01 176.93 1gpu h TYR 601 N 0.33 0.27 -0.73 4.33 3.20 -1.35 -2.51 116.97 120.51 1gpu h TYR 601 Ca 0.21 -0.06 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1gpu h TYR 601 Cb 0.20 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1gpu h TYR 601 CO -0.15 0.54 0.40 0.00 -1.64 0.00 0.00 178.16 177.31 1gpu h ARG 602 N -0.08 0.70 0.00 1.82 3.08 -1.14 -0.61 114.38 118.15 1gpu h ARG 602 Ca 0.03 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1gpu h ARG 602 Cb 0.45 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1gpu h ARG 602 CO 0.01 0.46 -0.22 -0.07 -1.07 0.00 0.00 179.97 179.08 1gpu h LEU 603 N 0.72 0.00 -1.05 3.04 3.38 -1.00 0.64 115.31 121.04 1gpu h LEU 603 Ca 0.34 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 1gpu h LEU 603 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1gpu h LEU 603 CO -0.21 0.22 -0.23 0.77 0.09 0.00 0.00 178.44 179.08 1gpu h SER 604 N 0.00 0.00 0.21 -0.43 4.64 -0.66 -0.92 113.55 116.38 1gpu h SER 604 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1gpu h SER 604 Cb 0.52 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1gpu h SER 604 CO 0.03 0.23 -1.92 0.58 -0.87 0.00 0.00 176.83 174.89 1gpu h VAL 605 N 0.00 0.70 -2.45 0.95 2.07 -0.81 -3.42 116.25 113.29 1gpu h VAL 605 Ca -0.00 -2.43 -0.60 0.00 0.82 0.00 0.00 66.70 64.49 1gpu h VAL 605 Cb 0.78 2.52 -0.40 0.00 -1.52 0.00 0.00 31.29 32.66 1gpu h VAL 605 CO 0.03 0.83 -0.78 0.18 0.02 0.00 0.00 177.57 177.85 1gpu n LEU 606 N -3.41 1.87 -4.84 2.57 4.77 0.12 -4.94 117.00 113.14 1gpu n LEU 606 Ca -0.28 -4.99 -0.30 0.00 -0.03 0.00 0.00 56.01 50.41 1gpu n LEU 606 Cb 1.05 -0.16 0.18 0.00 -2.33 0.00 0.00 43.42 42.17 1gpu n LEU 606 CO 0.44 1.93 0.80 -2.16 -1.33 0.00 0.00 177.39 177.07 1gpu s PRO 607 N -1.36 0.39 0.94 3.23 0.04 -0.36 -4.56 135.00 133.33 1gpu s PRO 607 Ca 0.33 -0.22 -0.13 0.00 0.04 0.00 0.00 61.00 61.02 1gpu s PRO 607 Cb 0.07 -1.80 0.21 0.00 0.04 0.00 0.00 34.50 33.03 1gpu s PRO 607 CO -0.12 -2.61 1.28 -0.25 0.04 0.00 0.00 177.00 175.34 1gpu n ASP 608 N -3.95 0.39 -1.91 6.66 8.00 -1.26 -4.15 116.55 120.34 1gpu n ASP 608 Ca 0.13 -1.64 -0.20 0.00 0.71 0.00 0.00 54.79 53.79 1gpu n ASP 608 Cb 0.60 -0.95 -0.04 0.00 -0.02 0.00 0.00 41.12 40.70 1gpu n ASP 608 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1gpu n ASN 609 N -3.66 -5.52 -3.65 -2.24 3.02 0.80 -4.89 115.26 99.13 1gpu n ASN 609 Ca 0.17 0.22 -0.08 0.00 -0.03 0.00 0.00 54.58 54.85 1gpu n ASN 609 Cb 0.59 -4.65 -0.08 0.00 -0.61 0.00 0.00 39.78 35.04 1gpu n ASN 609 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1gpu s VAL 610 N -2.87 -0.00 0.38 2.41 0.11 -1.26 -4.90 120.40 114.27 1gpu s VAL 610 Ca 0.00 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 58.80 1gpu s VAL 610 Cb 0.00 -0.93 -0.09 0.00 -1.53 0.00 0.00 36.38 33.83 1gpu s VAL 610 CO 0.00 0.01 1.33 -2.16 -3.33 0.00 0.00 175.10 170.94 1gpu s PRO 611 N 1.46 4.08 -0.15 1.54 0.04 -1.26 -4.84 135.00 135.87 1gpu s PRO 611 Ca -0.09 2.22 0.01 0.00 0.04 0.00 0.00 61.00 63.18 1gpu s PRO 611 Cb -0.06 -2.86 0.02 0.00 0.04 0.00 0.00 34.50 31.64 1gpu s PRO 611 CO -0.16 -0.42 -0.17 0.42 0.04 0.00 0.00 177.00 176.71 1gpu s ILE 612 N -1.21 1.73 -0.14 0.56 1.01 -1.26 -0.81 121.20 121.08 1gpu s ILE 612 Ca 0.54 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.46 1gpu s ILE 612 Cb -0.39 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1gpu s ILE 612 CO 0.52 0.49 -0.20 -0.32 0.00 0.00 0.00 174.94 175.42 1gpu s MET 613 N 1.27 3.09 0.28 2.79 1.75 -0.39 -0.45 119.30 127.64 1gpu s MET 613 Ca 0.02 -0.82 -0.12 0.00 -1.25 0.00 0.00 55.69 53.52 1gpu s MET 613 Cb -0.14 -2.49 -0.08 0.00 2.84 0.00 0.00 34.83 34.97 1gpu s MET 613 CO -0.09 0.02 0.64 -1.54 -0.65 0.00 0.00 175.02 173.40 1gpu s SER 614 N 0.76 6.68 -0.16 1.11 1.04 -0.30 -1.55 113.70 121.28 1gpu s SER 614 Ca -0.08 1.08 -0.03 0.00 0.48 0.00 0.00 55.95 57.41 1gpu s SER 614 Cb -0.16 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 63.72 1gpu s SER 614 CO -0.00 -0.14 0.03 -0.69 0.98 0.00 0.00 173.24 173.42 1gpu s VAL 615 N -1.91 0.41 -0.28 5.02 1.01 0.20 -0.53 120.40 124.32 1gpu s VAL 615 Ca 0.50 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 1gpu s VAL 615 Cb -0.11 -0.86 0.10 0.00 0.00 0.00 0.00 36.38 35.51 1gpu s VAL 615 CO 0.20 -0.11 0.74 -0.70 0.00 0.00 0.00 175.10 175.22 1gpu s GLU 616 N 1.92 0.63 0.00 2.72 2.12 -0.96 -3.55 118.70 121.58 1gpu s GLU 616 Ca 0.01 1.14 -0.01 0.00 0.36 0.00 0.00 54.97 56.47 1gpu s GLU 616 Cb -0.16 0.21 -0.06 0.00 0.26 0.00 0.00 34.13 34.37 1gpu s GLU 616 CO -0.07 -0.14 1.85 1.33 -0.54 0.00 0.00 175.26 177.68 1gpu n VAL 617 N 4.34 1.66 -3.97 3.70 0.24 -1.26 -4.06 118.33 118.97 1gpu n VAL 617 Ca -0.19 -0.59 -0.08 0.00 -2.04 0.00 0.00 64.34 61.45 1gpu n VAL 617 Cb 0.58 -1.52 -0.02 0.00 -1.47 0.00 0.00 33.84 31.40 1gpu n VAL 617 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1gpu n LEU 618 N 1.97 0.00 -4.53 1.34 4.32 -1.26 -4.62 117.00 114.22 1gpu n LEU 618 Ca 0.10 -1.34 -0.41 0.00 -0.02 0.00 0.00 56.01 54.34 1gpu n LEU 618 Cb 0.45 0.92 0.02 0.00 -1.62 0.00 0.00 43.42 43.20 1gpu n LEU 618 CO 0.05 -0.26 0.31 0.00 -1.22 0.00 0.00 177.39 176.27 1gpu n ALA 619 N -1.98 -0.66 1.03 -1.18 0.00 0.34 -0.96 120.51 117.10 1gpu n ALA 619 Ca -0.06 0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1gpu n ALA 619 Cb 0.26 -1.93 0.02 0.00 0.00 0.00 0.00 19.45 17.81 1gpu n ALA 619 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1gpu n THR 620 N -0.92 0.00 -0.29 0.00 -2.24 -1.26 -4.54 114.28 105.02 1gpu n THR 620 Ca 0.11 -0.13 0.33 0.00 -2.27 0.00 0.00 64.05 62.09 1gpu n THR 620 Cb 0.41 0.98 0.73 0.00 -2.10 0.00 0.00 70.33 70.35 1gpu n THR 620 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1gpu h THR 621 N 1.27 0.44 -0.02 4.28 1.35 -1.95 -1.33 112.91 116.95 1gpu h THR 621 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1gpu h THR 621 Cb 0.62 0.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1gpu h THR 621 CO 0.00 0.00 -0.15 0.00 -0.25 0.00 0.00 175.52 175.13 1gpu n TRP 623 N 0.64 0.00 0.32 0.00 7.02 -0.50 -4.06 117.44 120.85 1gpu n TRP 623 Ca 0.13 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.81 1gpu n TRP 623 Cb 0.51 -0.26 1.07 0.00 -2.42 0.00 0.00 31.31 30.20 1gpu n TRP 623 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1gpu h GLY 624 N 4.98 0.00 2.00 6.99 0.00 -1.79 -1.41 103.07 113.84 1gpu h GLY 624 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gpu h GLY 624 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 1gpu h LYS 625 N 0.00 0.00 0.00 4.80 2.10 -1.89 -3.37 116.57 118.21 1gpu h LYS 625 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1gpu h LYS 625 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1gpu h LYS 625 CO -0.00 0.00 -0.90 0.66 -2.00 0.00 0.00 179.45 177.21 1gpu n TYR 626 N -2.73 0.00 -4.29 0.07 4.01 -0.61 -3.92 117.16 109.69 1gpu n TYR 626 Ca 0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.58 1gpu n TYR 626 Cb 0.36 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.28 1gpu n TYR 626 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gpu s ALA 627 N -1.88 1.75 0.08 -0.72 0.00 -0.74 -4.57 121.76 115.68 1gpu s ALA 627 Ca 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 51.96 50.46 1gpu s ALA 627 Cb 0.00 -0.11 -0.27 0.00 0.00 0.00 0.00 23.12 22.74 1gpu s ALA 627 CO 0.00 0.13 1.14 0.45 0.00 0.00 0.00 175.76 177.48 1gpu h HIS 628 N 3.23 0.60 -3.94 0.00 3.86 -1.08 -3.41 115.15 114.41 1gpu h HIS 628 Ca -0.40 -0.42 -0.29 0.00 -1.16 0.00 0.00 60.37 58.10 1gpu h HIS 628 Cb 1.20 -0.03 -0.20 0.00 1.06 0.00 0.00 27.41 29.44 1gpu h HIS 628 CO 0.67 1.31 -0.74 -0.65 0.86 0.00 0.00 177.93 179.39 1gpu s GLN 629 N -2.73 0.61 -0.02 2.45 -1.52 -1.01 -5.05 119.66 112.39 1gpu s GLN 629 Ca -0.05 -0.86 0.02 0.00 -1.95 0.00 0.00 55.36 52.52 1gpu s GLN 629 Cb 0.07 -0.37 0.01 0.00 -0.22 0.00 0.00 33.01 32.49 1gpu s GLN 629 CO 0.89 0.06 -0.06 -1.12 -0.25 0.00 0.00 175.29 174.81 1gpu s SER 630 N -1.79 0.91 -0.37 5.90 0.01 -1.26 -1.15 113.70 115.95 1gpu s SER 630 Ca -0.06 -0.13 -0.07 0.00 1.31 0.00 0.00 55.95 57.00 1gpu s SER 630 Cb -0.08 -0.27 0.06 0.00 0.21 0.00 0.00 66.02 65.94 1gpu s SER 630 CO 0.00 0.03 0.17 0.12 0.41 0.00 0.00 173.24 173.96 1gpu s PHE 631 N 0.32 3.33 0.00 2.43 5.36 0.31 -4.93 117.98 124.80 1gpu s PHE 631 Ca -0.04 -1.62 0.00 0.00 -0.96 0.00 0.00 56.93 54.31 1gpu s PHE 631 Cb -0.08 -2.63 0.00 0.00 -0.34 0.00 0.00 43.02 39.96 1gpu s PHE 631 CO 0.00 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.36 1gpu n GLY 632 N 4.81 4.35 2.87 13.12 0.00 -1.26 -2.27 105.19 126.81 1gpu n GLY 632 Ca -0.10 -0.99 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 1gpu n GLY 632 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gpu s ILE 633 N -0.99 0.91 -0.34 -0.61 1.01 -0.14 -4.85 121.20 116.20 1gpu s ILE 633 Ca 0.00 -0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.40 1gpu s ILE 633 Cb 0.00 -1.01 0.46 0.00 0.01 0.00 0.00 42.46 41.91 1gpu s ILE 633 CO 0.00 0.26 1.26 0.47 0.00 0.00 0.00 174.94 176.93 1gpu n ASP 634 N 4.97 5.16 -3.93 3.58 8.00 -1.26 -2.24 116.55 130.82 1gpu n ASP 634 Ca -0.11 -3.75 -0.10 0.00 0.71 0.00 0.00 54.79 51.54 1gpu n ASP 634 Cb 0.49 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 41.13 1gpu n ASP 634 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gpu s ARG 635 N -3.62 1.57 0.82 -1.24 1.04 -1.26 -5.10 118.95 111.17 1gpu s ARG 635 Ca 0.52 -1.33 -0.12 0.00 -1.04 0.00 0.00 55.73 53.77 1gpu s ARG 635 Cb 0.42 0.46 0.09 0.00 -2.04 0.00 0.00 34.95 33.87 1gpu s ARG 635 CO 0.02 -0.65 1.12 -0.06 -0.04 0.00 0.00 175.30 175.69 1gpu s PHE 636 N -3.91 2.80 0.00 5.89 0.08 -1.26 -4.97 117.98 116.60 1gpu s PHE 636 Ca 0.24 1.00 0.00 0.00 0.12 0.00 0.00 56.93 58.29 1gpu s PHE 636 Cb -0.00 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 1gpu s PHE 636 CO 0.10 -1.89 0.00 0.41 -0.10 0.00 0.00 175.22 173.74 1gpu n GLY 637 N -2.37 -0.45 3.45 4.36 0.00 -1.26 -5.04 105.19 103.89 1gpu n GLY 637 Ca 0.07 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 1gpu n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gpu s ALA 638 N -3.45 -1.50 -0.38 4.61 0.00 -1.26 -4.63 121.76 115.14 1gpu s ALA 638 Ca 0.00 1.15 -0.23 0.00 0.00 0.00 0.00 51.96 52.88 1gpu s ALA 638 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1gpu s ALA 638 CO 0.00 -0.33 0.77 0.45 0.00 0.00 0.00 175.76 176.65 1gpu s SER 639 N -1.01 6.52 -0.09 0.00 0.15 -1.26 -4.38 113.70 113.63 1gpu s SER 639 Ca -0.10 0.26 -0.32 0.00 0.70 0.00 0.00 55.95 56.49 1gpu s SER 639 Cb -0.02 -2.39 0.14 0.00 -1.71 0.00 0.00 66.02 62.04 1gpu s SER 639 CO 0.07 -0.75 1.42 -0.83 1.20 0.00 0.00 173.24 174.35 1gpu s GLY 640 N 1.89 -0.43 0.26 9.45 0.00 -1.21 -4.90 107.32 112.38 1gpu s GLY 640 Ca 0.31 0.76 -0.31 0.00 0.00 0.00 0.00 44.72 45.48 1gpu s GLY 640 CO 0.18 1.82 1.64 0.28 0.00 0.00 0.00 173.10 177.02 1gpu n LYS 641 N -0.62 2.73 -0.28 2.90 5.02 -1.26 -1.03 118.16 125.62 1gpu n LYS 641 Ca -0.06 0.98 -0.01 0.00 -2.02 0.00 0.00 58.31 57.20 1gpu n LYS 641 Cb 0.62 -2.78 0.05 0.00 -0.02 0.00 0.00 35.03 32.91 1gpu n LYS 641 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gpu h ALA 642 N 5.51 0.25 -0.94 7.82 0.00 -1.85 -0.46 119.26 129.59 1gpu h ALA 642 Ca -0.46 0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1gpu h ALA 642 Cb 1.22 0.78 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 1gpu h ALA 642 CO 0.85 -0.55 0.61 -1.35 0.00 0.00 0.00 179.25 178.81 1gpu h PRO 643 N -0.06 1.00 -0.25 0.00 0.11 -1.93 -1.03 132.00 129.83 1gpu h PRO 643 Ca 0.33 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 66.24 1gpu h PRO 643 Cb 0.58 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1gpu h PRO 643 CO -0.83 0.66 -0.42 0.93 -0.21 0.00 0.00 178.00 178.13 1gpu h GLU 644 N 1.03 0.62 -0.31 1.05 5.08 -1.49 -2.53 114.58 118.02 1gpu h GLU 644 Ca 0.42 -0.32 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1gpu h GLU 644 Cb 0.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1gpu h GLU 644 CO -0.17 0.92 -0.01 0.28 -1.00 0.00 0.00 179.01 179.03 1gpu h VAL 645 N 0.50 1.26 -0.58 3.13 2.07 -0.36 -0.41 116.25 121.86 1gpu h VAL 645 Ca 0.04 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1gpu h VAL 645 Cb 0.94 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1gpu h VAL 645 CO 0.08 0.31 0.31 -0.26 0.02 0.00 0.00 177.57 178.03 1gpu h PHE 646 N 0.35 0.56 -0.53 1.57 0.04 -1.16 -2.03 116.94 115.73 1gpu h PHE 646 Ca 0.09 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.80 1gpu h PHE 646 Cb 0.45 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1gpu h PHE 646 CO 0.04 0.27 -0.00 0.87 -0.60 0.00 0.00 178.31 178.89 1gpu h LYS 647 N 0.58 0.91 -0.97 1.51 1.57 -1.30 -0.11 116.57 118.76 1gpu h LYS 647 Ca 0.25 -0.26 0.09 0.00 -1.87 0.00 0.00 60.65 58.86 1gpu h LYS 647 Cb 0.15 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1gpu h LYS 647 CO -0.17 0.90 0.63 0.35 -0.57 0.00 0.00 179.45 180.59 1gpu h PHE 648 N 0.84 1.12 -0.17 -1.35 3.57 -0.39 0.22 116.94 120.78 1gpu h PHE 648 Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1gpu h PHE 648 Cb 0.50 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1gpu h PHE 648 CO 0.03 0.54 0.00 1.19 -2.23 0.00 0.00 178.31 177.84 1gpu n PHE 649 N -4.53 0.22 -1.02 0.41 3.72 -0.88 -4.93 117.46 110.45 1gpu n PHE 649 Ca 0.16 -0.11 -0.01 0.00 -0.05 0.00 0.00 57.45 57.44 1gpu n PHE 649 Cb 0.25 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.79 1gpu n PHE 649 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gpu n GLY 650 N 1.07 0.48 3.39 1.37 0.00 0.06 -4.97 105.19 106.60 1gpu n GLY 650 Ca 0.15 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1gpu n GLY 650 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gpu n PHE 651 N -2.92 4.64 -4.29 1.61 3.01 -0.10 -4.31 117.46 115.10 1gpu n PHE 651 Ca -0.01 -3.20 -0.16 0.00 1.01 0.00 0.00 57.45 55.10 1gpu n PHE 651 Cb 0.06 -2.25 -0.10 0.00 -0.01 0.00 0.00 39.48 37.18 1gpu n PHE 651 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1gpu s THR 652 N 1.91 1.11 0.25 4.37 -4.23 -1.26 -4.57 115.64 113.21 1gpu s THR 652 Ca 0.44 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 58.86 1gpu s THR 652 Cb 0.00 -2.10 0.22 0.00 1.34 0.00 0.00 72.50 71.95 1gpu s THR 652 CO 0.01 -0.53 1.80 -0.65 -0.54 0.00 0.00 174.62 174.71 1gpu h PRO 653 N 2.62 0.73 -0.70 3.99 0.11 -1.91 -1.39 132.00 135.45 1gpu h PRO 653 Ca -0.37 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 1gpu h PRO 653 Cb 1.21 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1gpu h PRO 653 CO 0.64 0.48 0.26 0.93 -0.21 0.00 0.00 178.00 180.10 1gpu h GLU 654 N 0.75 1.06 -0.76 1.05 3.07 -1.93 -1.27 114.58 116.55 1gpu h GLU 654 Ca 0.40 -0.21 -0.05 0.00 -0.50 0.00 0.00 59.36 59.01 1gpu h GLU 654 Cb 0.41 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1gpu h GLU 654 CO -0.27 0.89 0.29 0.78 -1.40 0.00 0.00 179.01 179.30 1gpu h GLY 655 N 1.01 1.23 0.79 -3.84 0.00 -1.49 0.03 103.07 100.80 1gpu h GLY 655 Ca 0.23 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1gpu h GLY 655 CO -0.01 0.64 -0.13 -2.08 0.00 0.00 0.00 176.54 174.95 1gpu h VAL 656 N 1.10 1.32 -0.70 4.60 2.07 -1.12 -2.77 116.25 120.76 1gpu h VAL 656 Ca 0.25 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.54 1gpu h VAL 656 Cb 0.24 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1gpu h VAL 656 CO -0.02 0.37 0.45 0.00 0.02 0.00 0.00 177.57 178.40 1gpu h ALA 657 N 0.66 0.90 -0.32 1.67 0.00 -1.05 -0.16 119.26 120.96 1gpu h ALA 657 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1gpu h ALA 657 Cb 0.65 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1gpu h ALA 657 CO 0.04 0.26 0.21 1.49 0.00 0.00 0.00 179.25 181.25 1gpu h GLU 658 N 0.90 0.42 -0.04 0.00 4.81 -0.97 0.09 114.58 119.79 1gpu h GLU 658 Ca 0.27 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1gpu h GLU 658 Cb -0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1gpu h GLU 658 CO -0.08 0.28 -0.26 0.00 -0.73 0.00 0.00 179.01 178.22 1gpu h ARG 659 N 0.43 0.08 -0.41 1.92 3.08 -1.17 -0.84 114.38 117.46 1gpu h ARG 659 Ca 0.12 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1gpu h ARG 659 Cb -0.04 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1gpu h ARG 659 CO -0.02 0.33 0.07 0.00 -1.07 0.00 0.00 179.97 179.28 1gpu h ALA 660 N 1.67 0.54 -0.82 0.04 0.00 -0.16 -0.80 119.26 119.73 1gpu h ALA 660 Ca 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1gpu h ALA 660 Cb 0.50 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1gpu h ALA 660 CO 0.04 0.26 0.46 1.96 0.00 0.00 0.00 179.25 181.97 1gpu h GLN 661 N 0.53 1.14 -0.71 0.00 4.20 -0.10 -0.22 115.11 119.95 1gpu h GLN 661 Ca 0.12 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1gpu h GLN 661 Cb 0.37 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1gpu h GLN 661 CO 0.01 0.83 0.37 0.87 -0.67 0.00 0.00 178.83 180.24 1gpu h LYS 662 N 1.14 1.01 -0.57 1.46 1.79 -0.91 -1.32 116.57 119.16 1gpu h LYS 662 Ca 0.29 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1gpu h LYS 662 Cb 0.01 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 1gpu h LYS 662 CO -0.05 0.77 0.20 1.15 -1.08 0.00 0.00 179.45 180.44 1gpu h THR 663 N 0.99 1.23 -0.16 -0.16 2.02 -0.57 0.26 112.91 116.53 1gpu h THR 663 Ca 0.25 -0.78 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 1gpu h THR 663 Cb 0.08 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1gpu h THR 663 CO -0.04 0.29 0.09 0.40 0.37 0.00 0.00 175.52 176.64 1gpu h ILE 664 N 0.80 1.09 -0.63 3.11 2.04 -0.72 -2.37 117.51 120.84 1gpu h ILE 664 Ca 0.19 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.74 1gpu h ILE 664 Cb 0.26 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1gpu h ILE 664 CO -0.01 0.09 0.16 0.00 0.00 0.00 0.00 178.15 178.39 1gpu h ALA 665 N 0.99 1.11 -0.74 1.87 0.00 -1.08 -1.47 119.26 119.95 1gpu h ALA 665 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1gpu h ALA 665 Cb 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1gpu h ALA 665 CO -0.01 0.60 0.49 0.35 0.00 0.00 0.00 179.25 180.68 1gpu h PHE 666 N 0.93 0.84 -0.04 0.00 3.57 -0.68 -2.91 116.94 118.66 1gpu h PHE 666 Ca 0.20 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1gpu h PHE 666 Cb 0.31 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1gpu h PHE 666 CO 0.02 0.48 0.00 0.66 -2.23 0.00 0.00 178.31 177.24 1gpu n TYR 667 N -4.46 0.01 -1.65 0.41 4.01 -0.91 -4.97 117.16 109.59 1gpu n TYR 667 Ca 0.10 -0.01 -0.52 0.00 -0.16 0.00 0.00 57.90 57.32 1gpu n TYR 667 Cb 0.15 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 1gpu n TYR 667 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1gpu n LYS 668 N 1.18 1.53 -0.27 -0.72 4.76 -0.58 -0.80 118.16 123.26 1gpu n LYS 668 Ca 0.12 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1gpu n LYS 668 Cb 0.52 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1gpu n LYS 668 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1gpu n GLY 669 N 3.46 1.48 3.93 0.72 0.00 -1.26 -5.04 105.19 108.48 1gpu n GLY 669 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1gpu n GLY 669 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gpu s ASP 670 N -3.17 6.36 -0.29 1.61 1.01 0.02 -5.07 116.67 117.14 1gpu s ASP 670 Ca 0.00 0.44 -0.18 0.00 0.71 0.00 0.00 52.55 53.52 1gpu s ASP 670 Cb 0.00 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.89 1gpu s ASP 670 CO 0.00 -0.15 0.51 -0.75 0.21 0.00 0.00 175.17 174.98 1gpu s LYS 671 N -3.75 3.92 -0.12 8.23 2.20 -1.26 -5.03 119.74 123.92 1gpu s LYS 671 Ca 0.39 0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 56.09 1gpu s LYS 671 Cb -0.10 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.47 1gpu s LYS 671 CO 0.31 -0.45 0.07 -0.51 -0.36 0.00 0.00 175.35 174.42 1gpu s LEU 672 N 2.33 3.98 -0.06 5.43 1.43 -1.26 -5.00 118.68 125.53 1gpu s LEU 672 Ca 0.20 0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1gpu s LEU 672 Cb -0.16 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1gpu s LEU 672 CO 0.11 0.35 -0.11 -0.63 0.23 0.00 0.00 176.35 176.29 1gpu s ILE 673 N -0.67 3.30 0.29 -0.59 1.01 -1.26 -0.14 121.20 123.15 1gpu s ILE 673 Ca 0.12 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1gpu s ILE 673 Cb -0.12 -2.32 -0.12 0.00 0.01 0.00 0.00 42.46 39.91 1gpu s ILE 673 CO 0.02 0.59 1.59 -0.24 0.00 0.00 0.00 174.94 176.90 1gpu n SER 674 N 2.33 3.79 0.09 3.58 2.88 -1.26 -4.83 113.62 120.21 1gpu n SER 674 Ca -0.17 1.15 0.07 0.00 -1.33 0.00 0.00 58.87 58.58 1gpu n SER 674 Cb 0.52 -1.58 0.34 0.00 -0.75 0.00 0.00 64.21 62.74 1gpu n SER 674 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1gpu n PRO 675 N 2.14 0.08 0.13 -1.46 -0.02 -1.26 -2.04 135.00 132.58 1gpu n PRO 675 Ca 0.09 0.53 -0.01 0.00 -2.02 0.00 0.00 63.50 62.09 1gpu n PRO 675 Cb 0.36 -1.74 0.13 0.00 -0.02 0.00 0.00 33.50 32.23 1gpu n PRO 675 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1gpu h LEU 676 N 0.00 0.00 -9.39 2.45 3.38 -1.87 -3.44 115.31 106.44 1gpu h LEU 676 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1gpu h LEU 676 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1gpu h LEU 676 CO 0.00 0.64 0.87 -0.54 0.09 0.00 0.00 178.44 179.50 1gpu s LYS 677 N -3.36 4.27 0.14 1.13 1.02 -0.86 -5.02 119.74 117.05 1gpu s LYS 677 Ca -0.00 2.04 0.06 0.00 0.02 0.00 0.00 55.97 58.09 1gpu s LYS 677 Cb 0.11 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 1gpu s LYS 677 CO 0.76 -0.61 -0.01 0.15 -0.92 0.00 0.00 175.35 174.72 1gpu s LYS 678 N 2.43 2.43 0.09 1.68 -0.14 -1.26 -5.02 119.74 119.94 1gpu s LYS 678 Ca 0.66 -1.00 0.25 0.00 -1.36 0.00 0.00 55.97 54.52 1gpu s LYS 678 Cb -0.33 -2.42 0.45 0.00 -1.68 0.00 0.00 37.83 33.84 1gpu s LYS 678 CO 0.28 0.49 1.39 0.00 -0.76 0.00 0.00 175.35 176.75 1gpu n ALA 679 N 0.22 3.03 -1.61 5.17 0.00 -1.26 -5.27 120.51 120.78 1gpu n ALA 679 Ca -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1gpu n ALA 679 Cb 0.54 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1gpu n ALA 679 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47