#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 3.58 0.00 1.08 0.08 -1.26 -5.11 117.98 116.35 1gpu s PHE 4 Ca 0.00 0.65 0.00 0.00 0.12 0.00 0.00 56.93 57.70 1gpu s PHE 4 Cb 0.00 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1gpu s PHE 4 CO 0.00 0.58 0.00 0.25 -0.10 0.00 0.00 175.22 175.95 1gpu n THR 5 N 1.06 0.00 -0.17 0.64 -2.24 -1.26 -4.99 114.28 107.32 1gpu n THR 5 Ca -0.10 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.79 1gpu n THR 5 Cb 0.53 0.00 0.44 0.00 -2.10 0.00 0.00 70.33 69.20 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 0.00 0.50 -0.30 3.42 3.32 -1.99 -0.52 116.42 120.84 1gpu h ASP 6 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1gpu h ASP 6 Cb 0.00 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1gpu h ASP 6 CO 0.00 0.29 0.13 -0.29 -1.72 0.00 0.00 179.24 177.65 1gpu h ILE 7 N 0.55 1.14 -0.44 0.35 6.09 -1.98 0.54 117.51 123.76 1gpu h ILE 7 Ca 0.34 -0.46 -0.11 0.00 -1.37 0.00 0.00 64.86 63.27 1gpu h ILE 7 Cb 0.60 0.73 -0.01 0.00 0.47 0.00 0.00 36.82 38.60 1gpu h ILE 7 CO -0.12 0.17 -0.14 0.44 -3.07 0.00 0.00 178.15 175.43 1gpu h ASP 8 N 0.50 0.89 -0.16 2.19 3.32 -1.49 -0.13 116.42 121.54 1gpu h ASP 8 Ca 0.12 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 1gpu h ASP 8 Cb 0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1gpu h ASP 8 CO -0.01 1.06 -0.18 0.11 -1.72 0.00 0.00 179.24 178.49 1gpu h LYS 9 N 0.70 0.58 -0.54 3.56 1.57 -1.04 -1.66 116.57 119.74 1gpu h LYS 9 Ca 0.11 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1gpu h LYS 9 Cb 0.69 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1gpu h LYS 9 CO 0.05 0.73 -0.13 1.25 -0.57 0.00 0.00 179.45 180.78 1gpu h LEU 10 N 0.52 1.05 -0.64 2.94 5.85 -0.63 -2.19 115.31 122.20 1gpu h LEU 10 Ca 0.08 -0.36 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1gpu h LEU 10 Cb 0.61 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1gpu h LEU 10 CO 0.04 1.16 0.34 0.00 -0.34 0.00 0.00 178.44 179.65 1gpu h ALA 11 N 0.92 0.82 -0.69 1.25 0.00 -0.63 -0.56 119.26 120.37 1gpu h ALA 11 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1gpu h ALA 11 Cb 0.70 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1gpu h ALA 11 CO 0.05 0.35 0.41 0.28 0.00 0.00 0.00 179.25 180.34 1gpu h VAL 12 N 0.87 1.20 -0.68 0.00 2.07 -1.13 -0.43 116.25 118.16 1gpu h VAL 12 Ca 0.22 -0.45 -0.08 0.00 0.82 0.00 0.00 66.70 67.21 1gpu h VAL 12 Cb 0.06 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1gpu h VAL 12 CO -0.03 0.21 0.12 0.28 0.02 0.00 0.00 177.57 178.16 1gpu h SER 13 N 0.94 1.07 -0.45 0.57 0.02 -1.06 -1.37 113.55 113.27 1gpu h SER 13 Ca 0.25 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1gpu h SER 13 Cb -0.02 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1gpu h SER 13 CO -0.05 1.05 0.25 0.74 -1.14 0.00 0.00 176.83 177.69 1gpu h THR 14 N 1.04 1.16 0.20 -2.27 2.02 -0.57 -0.99 112.91 113.50 1gpu h THR 14 Ca 0.21 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1gpu h THR 14 Cb 0.43 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1gpu h THR 14 CO 0.01 0.16 -0.10 0.40 0.37 0.00 0.00 175.52 176.37 1gpu h ILE 15 N 0.59 0.80 -0.31 3.11 2.04 -0.87 0.12 117.51 122.98 1gpu h ILE 15 Ca 0.16 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1gpu h ILE 15 Cb 0.04 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1gpu h ILE 15 CO -0.03 0.00 -0.05 0.03 0.00 0.00 0.00 178.15 178.11 1gpu h ARG 16 N -0.28 0.03 -0.19 2.37 3.08 -1.06 -1.31 114.38 117.02 1gpu h ARG 16 Ca -0.03 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 1gpu h ARG 16 Cb 0.21 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1gpu h ARG 16 CO 0.05 0.02 -0.47 0.82 -1.07 0.00 0.00 179.97 179.32 1gpu h ILE 17 N 0.03 1.32 -0.51 2.04 2.04 -1.10 -1.97 117.51 119.36 1gpu h ILE 17 Ca 0.15 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.26 1gpu h ILE 17 Cb 0.22 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1gpu h ILE 17 CO -0.29 0.52 0.03 0.25 0.00 0.00 0.00 178.15 178.66 1gpu h LEU 18 N 0.39 0.86 -0.47 1.44 5.85 -0.63 0.61 115.31 123.37 1gpu h LEU 18 Ca 0.02 -0.29 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 1gpu h LEU 18 Cb 0.98 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1gpu h LEU 18 CO 0.09 0.94 0.15 0.00 -0.34 0.00 0.00 178.44 179.27 1gpu h ALA 19 N 0.95 0.61 -0.21 1.25 0.00 -1.18 -1.02 119.26 119.67 1gpu h ALA 19 Ca 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1gpu h ALA 19 Cb 0.48 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1gpu h ALA 19 CO 0.02 0.27 0.11 0.28 0.00 0.00 0.00 179.25 179.93 1gpu h VAL 20 N 0.62 1.12 -0.85 0.00 2.07 -1.09 -1.84 116.25 116.29 1gpu h VAL 20 Ca 0.15 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1gpu h VAL 20 Cb 0.27 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1gpu h VAL 20 CO -0.00 0.11 0.52 0.44 0.02 0.00 0.00 177.57 178.66 1gpu h ASP 21 N 0.22 1.01 -0.30 0.57 3.32 -0.75 0.45 116.42 120.94 1gpu h ASP 21 Ca 0.07 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1gpu h ASP 21 Cb 0.09 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1gpu h ASP 21 CO -0.01 0.76 0.19 0.74 -1.72 0.00 0.00 179.24 179.20 1gpu h THR 22 N 1.17 1.08 -0.39 0.35 2.02 -0.86 -0.59 112.91 115.69 1gpu h THR 22 Ca 0.31 -0.16 -0.09 0.00 0.77 0.00 0.00 66.41 67.24 1gpu h THR 22 Cb -0.07 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1gpu h THR 22 CO -0.06 0.08 -0.09 0.58 0.37 0.00 0.00 175.52 176.40 1gpu h VAL 23 N 0.40 1.28 -0.56 3.16 2.07 -0.90 -3.00 116.25 118.69 1gpu h VAL 23 Ca 0.11 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1gpu h VAL 23 Cb -0.03 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1gpu h VAL 23 CO -0.02 0.39 0.27 0.28 0.02 0.00 0.00 177.57 178.51 1gpu h SER 24 N 0.56 0.73 -0.69 0.57 0.02 -0.69 -0.98 113.55 113.08 1gpu h SER 24 Ca 0.10 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1gpu h SER 24 Cb 0.61 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1gpu h SER 24 CO 0.04 0.66 0.37 0.50 -1.14 0.00 0.00 176.83 177.26 1gpu h LYS 25 N 0.76 0.98 0.00 3.45 3.64 -1.12 -0.96 116.57 123.32 1gpu h LYS 25 Ca 0.19 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1gpu h LYS 25 Cb 0.12 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1gpu h LYS 25 CO -0.02 0.74 0.00 0.00 -2.27 0.00 0.00 179.45 177.89 1gpu h ALA 26 N 1.42 1.00 -4.79 5.00 0.00 -1.34 -3.46 119.26 117.09 1gpu h ALA 26 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.77 1gpu h ALA 26 Cb 0.05 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1gpu h ALA 26 CO -0.04 0.00 -0.58 -1.71 0.00 0.00 0.00 179.25 176.92 1gpu n ASN 27 N -2.96 -5.26 -3.62 0.00 4.05 -0.37 -4.92 115.26 102.19 1gpu n ASN 27 Ca 0.03 -0.31 -0.10 0.00 0.45 0.00 0.00 54.58 54.65 1gpu n ASN 27 Cb 0.41 -4.28 -0.06 0.00 1.23 0.00 0.00 39.78 37.08 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 -2.69 -0.41 0.00 1.20 0.15 -1.15 -4.86 113.70 105.94 1gpu s SER 28 Ca 0.33 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.66 1gpu s SER 28 Cb -0.16 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 1gpu s SER 28 CO 0.40 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1gpu n GLY 29 N 1.66 0.91 3.15 9.45 0.00 -1.26 -4.70 105.19 114.40 1gpu n GLY 29 Ca -0.12 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.37 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 -0.99 3.29 -0.10 1.61 3.76 -1.26 -2.37 115.29 119.23 1gpu s HIS 30 Ca 0.00 -2.00 0.15 0.00 -0.15 0.00 0.00 55.06 53.06 1gpu s HIS 30 Cb 0.00 -2.15 -0.12 0.00 1.11 0.00 0.00 32.58 31.42 1gpu s HIS 30 CO 0.00 -0.83 0.95 -1.00 -0.85 0.00 0.00 174.74 173.01 1gpu h PRO 31 N 7.95 0.00 -0.00 8.40 0.13 -1.71 -3.41 132.00 143.36 1gpu h PRO 31 Ca -0.20 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1gpu h PRO 31 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1gpu h PRO 31 CO 0.53 0.40 -0.13 0.78 -0.23 0.00 0.00 178.00 179.36 1gpu h GLY 32 N 3.60 -1.35 1.21 1.56 0.00 -1.02 -2.44 103.07 104.63 1gpu h GLY 32 Ca -0.14 0.62 -0.04 0.00 0.00 0.00 0.00 47.33 47.77 1gpu h GLY 32 CO 0.06 -0.47 0.28 0.00 0.00 0.00 0.00 176.54 176.41 1gpu h ALA 33 N -1.23 1.20 -0.60 3.60 0.00 -1.83 -0.76 119.26 119.64 1gpu h ALA 33 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1gpu h ALA 33 Cb 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1gpu h ALA 33 CO -0.09 0.58 0.32 -1.35 0.00 0.00 0.00 179.25 178.72 1gpu h PRO 34 N 0.99 0.59 -0.64 0.00 0.11 -1.78 0.26 132.00 131.53 1gpu h PRO 34 Ca 0.23 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 1gpu h PRO 34 Cb 0.18 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 1gpu h PRO 34 CO -0.02 0.39 0.06 -0.07 -0.21 0.00 0.00 178.00 178.15 1gpu h LEU 35 N 0.61 1.05 -0.51 2.35 3.38 -1.15 -2.11 115.31 118.93 1gpu h LEU 35 Ca 0.27 -0.27 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1gpu h LEU 35 Cb 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1gpu h LEU 35 CO -0.18 1.06 -0.66 1.23 0.09 0.00 0.00 178.44 179.98 1gpu h GLY 36 N 1.03 0.38 -1.93 0.83 0.00 -0.64 -3.30 103.07 99.44 1gpu h GLY 36 Ca 0.19 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1gpu h GLY 36 CO 0.02 0.45 0.00 1.03 0.00 0.00 0.00 176.54 178.04 1gpu n MET 37 N -3.86 2.32 -0.18 4.80 2.81 0.86 -4.55 117.12 119.33 1gpu n MET 37 Ca -0.03 -1.97 -0.03 0.00 -1.81 0.00 0.00 57.70 53.86 1gpu n MET 37 Cb 0.66 -1.48 0.08 0.00 -0.71 0.00 0.00 33.22 31.76 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 4.51 0.70 -0.30 3.04 0.00 -1.46 -0.15 119.26 125.61 1gpu h ALA 38 Ca 0.00 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1gpu h ALA 38 Cb 0.91 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1gpu h ALA 38 CO 0.00 -0.14 0.11 -1.35 0.00 0.00 0.00 179.25 177.87 1gpu h PRO 39 N 0.46 0.24 -0.62 0.00 0.11 -1.84 -1.14 132.00 129.20 1gpu h PRO 39 Ca 0.26 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.32 1gpu h PRO 39 Cb 0.24 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1gpu h PRO 39 CO -0.22 0.16 0.25 0.00 -0.21 0.00 0.00 178.00 177.97 1gpu h ALA 40 N 1.18 1.27 -0.28 -0.75 0.00 -1.72 -1.79 119.26 117.17 1gpu h ALA 40 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1gpu h ALA 40 Cb 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1gpu h ALA 40 CO -0.13 0.54 0.12 0.00 0.00 0.00 0.00 179.25 179.78 1gpu h ALA 41 N 1.38 0.37 0.21 0.00 0.00 -0.46 0.09 119.26 120.84 1gpu h ALA 41 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1gpu h ALA 41 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1gpu h ALA 41 CO -0.02 -0.05 -0.10 1.25 0.00 0.00 0.00 179.25 180.33 1gpu h HIS 42 N 0.31 -0.26 -0.03 0.00 6.17 -0.89 -0.15 115.15 120.30 1gpu h HIS 42 Ca 0.10 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1gpu h HIS 42 Cb 0.15 0.09 -0.00 0.00 2.52 0.00 0.00 27.41 30.17 1gpu h HIS 42 CO -0.01 -0.15 0.02 0.28 0.71 0.00 0.00 177.93 178.78 1gpu h VAL 43 N -0.30 1.01 0.54 5.26 2.07 -1.27 -0.58 116.25 122.98 1gpu h VAL 43 Ca -0.03 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1gpu h VAL 43 Cb 0.23 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1gpu h VAL 43 CO 0.05 0.01 -0.26 0.25 0.02 0.00 0.00 177.57 177.64 1gpu h LEU 44 N 0.04 -0.61 -1.43 2.57 5.85 -0.92 -2.95 115.31 117.85 1gpu h LEU 44 Ca 0.01 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1gpu h LEU 44 Cb -0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1gpu h LEU 44 CO -0.00 -0.41 0.17 -0.50 -0.34 0.00 0.00 178.44 177.36 1gpu h TRP 45 N -0.76 0.54 0.00 1.25 4.06 -1.04 -1.81 115.95 118.20 1gpu h TRP 45 Ca -0.07 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.86 1gpu h TRP 45 Cb 0.57 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1gpu h TRP 45 CO -0.03 0.42 0.00 0.77 -3.56 0.00 0.00 178.44 176.04 1gpu h SER 46 N 0.56 0.00 -0.15 -3.49 0.02 -0.96 -2.61 113.55 106.92 1gpu h SER 46 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1gpu h SER 46 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 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 -2.94 2.93 -3.03 3.45 -0.00 -0.73 -4.82 117.38 112.25 1gpu n GLN 47 Ca -0.01 -1.74 -0.38 0.00 -0.00 0.00 0.00 57.00 54.88 1gpu n GLN 47 Cb 0.18 -1.12 -0.06 0.00 -0.00 0.00 0.00 30.24 29.24 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 -1.00 4.42 -0.48 2.61 -1.94 -0.89 -5.03 119.30 116.99 1gpu s MET 48 Ca 0.10 1.03 -0.15 0.00 -1.71 0.00 0.00 55.69 54.96 1gpu s MET 48 Cb 0.05 -3.05 0.09 0.00 2.01 0.00 0.00 34.83 33.93 1gpu s MET 48 CO 0.07 0.47 0.40 0.50 -0.01 0.00 0.00 175.02 176.45 1gpu s ARG 49 N -1.60 2.93 0.20 2.03 3.52 -1.26 -4.98 118.95 119.79 1gpu s ARG 49 Ca 0.40 -1.46 -0.14 0.00 -0.13 0.00 0.00 55.73 54.40 1gpu s ARG 49 Cb -0.20 -4.13 0.01 0.00 -1.56 0.00 0.00 34.95 29.08 1gpu s ARG 49 CO 0.23 -1.10 0.45 0.00 -0.81 0.00 0.00 175.30 174.08 1gpu s MET 50 N 1.60 1.36 -0.36 5.12 0.23 -1.26 -0.78 119.30 125.22 1gpu s MET 50 Ca 0.04 -1.03 0.01 0.00 -1.03 0.00 0.00 55.69 53.69 1gpu s MET 50 Cb -0.26 0.47 0.10 0.00 -1.53 0.00 0.00 34.83 33.62 1gpu s MET 50 CO 0.05 -0.56 0.09 1.21 -2.03 0.00 0.00 175.02 173.78 1gpu s ASN 51 N -2.93 4.91 0.56 -1.18 3.84 -1.26 -4.09 114.94 114.79 1gpu s ASN 51 Ca 0.14 -2.04 0.27 0.00 0.21 0.00 0.00 52.86 51.44 1gpu s ASN 51 Cb 0.00 -1.69 1.47 0.00 -0.55 0.00 0.00 41.25 40.48 1gpu s ASN 51 CO 0.00 -0.42 1.99 -0.65 -2.79 0.00 0.00 177.10 175.23 1gpu h PRO 52 N 7.78 0.00 -0.00 0.43 0.11 -1.88 0.20 132.00 138.64 1gpu h PRO 52 Ca -0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.03 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 0.57 0.00 -0.19 0.25 -0.21 0.00 0.00 178.00 178.42 1gpu n THR 53 N -4.10 0.00 -3.20 -1.15 -2.24 -1.26 -4.33 114.28 98.00 1gpu n THR 53 Ca 0.08 -0.03 -0.22 0.00 -2.27 0.00 0.00 64.05 61.61 1gpu n THR 53 Cb 0.58 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.66 1gpu n THR 53 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1gpu n ASN 54 N -1.22 -0.91 0.16 3.42 4.05 0.68 -4.99 115.26 116.45 1gpu n ASN 54 Ca 0.10 -2.61 0.10 0.00 0.45 0.00 0.00 54.58 52.63 1gpu n ASN 54 Cb 0.31 -0.07 0.55 0.00 1.23 0.00 0.00 39.78 41.80 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 2.36 0.13 -0.00 1.20 -0.02 -1.14 -1.99 135.00 135.53 1gpu n PRO 55 Ca 0.24 0.63 0.13 0.00 -2.02 0.00 0.00 63.50 62.48 1gpu n PRO 55 Cb 0.52 -1.96 0.21 0.00 -0.02 0.00 0.00 33.50 32.25 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 -2.22 2.60 -4.65 2.55 8.00 -1.26 -4.77 116.55 116.80 1gpu n ASP 56 Ca -0.01 -1.87 -0.54 0.00 0.71 0.00 0.00 54.79 53.08 1gpu n ASP 56 Cb 0.06 -0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.09 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 1.04 2.05 -0.14 1.24 -0.00 -0.84 -4.82 117.44 115.97 1gpu n TRP 57 Ca 0.15 0.33 0.12 0.00 -0.00 0.00 0.00 57.50 58.11 1gpu n TRP 57 Cb 0.53 -2.53 0.47 0.00 -0.00 0.00 0.00 31.31 29.78 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 5.66 0.88 -0.51 5.87 6.09 -1.92 -2.46 117.51 131.12 1gpu h ILE 58 Ca -0.43 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 62.87 1gpu h ILE 58 Cb 1.31 0.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.94 1gpu h ILE 58 CO 0.97 0.09 0.02 -3.20 -3.07 0.00 0.00 178.15 172.96 1gpu n ASN 59 N -4.48 5.07 -4.77 2.19 5.15 -1.26 -4.96 115.26 112.19 1gpu n ASN 59 Ca 0.12 -2.83 -0.36 0.00 -0.60 0.00 0.00 54.58 50.91 1gpu n ASN 59 Cb 0.40 -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 -2.54 3.60 0.46 1.20 1.70 -0.93 -4.43 118.95 118.01 1gpu s ARG 60 Ca 0.47 1.69 -0.22 0.00 -0.47 0.00 0.00 55.73 57.20 1gpu s ARG 60 Cb 0.36 -2.24 -0.08 0.00 -0.57 0.00 0.00 34.95 32.43 1gpu s ARG 60 CO 0.14 -0.66 1.13 -0.51 -1.08 0.00 0.00 175.30 174.31 1gpu s ASP 61 N -1.55 6.23 0.06 -2.89 1.01 0.04 -4.67 116.67 114.90 1gpu s ASP 61 Ca 0.67 2.20 0.08 0.00 0.71 0.00 0.00 52.55 56.21 1gpu s ASP 61 Cb -0.26 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.04 1gpu s ASP 61 CO 0.31 -0.87 -0.18 -0.13 0.21 0.00 0.00 175.17 174.51 1gpu s ARG 62 N -2.80 1.99 -0.06 8.23 0.52 -0.48 -4.79 118.95 121.57 1gpu s ARG 62 Ca 0.64 -1.04 0.04 0.00 -0.52 0.00 0.00 55.73 54.86 1gpu s ARG 62 Cb -0.26 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.04 1gpu s ARG 62 CO 0.31 0.52 -0.19 0.12 0.02 0.00 0.00 175.30 176.08 1gpu s PHE 63 N -1.00 1.93 -0.09 -0.53 5.36 -1.26 0.02 117.98 122.41 1gpu s PHE 63 Ca 0.16 -0.62 0.02 0.00 -0.96 0.00 0.00 56.93 55.53 1gpu s PHE 63 Cb -0.11 -1.30 0.02 0.00 -0.34 0.00 0.00 43.02 41.29 1gpu s PHE 63 CO 0.07 -0.22 -0.12 0.08 -1.46 0.00 0.00 175.22 173.56 1gpu s VAL 64 N 0.12 1.24 -0.86 3.12 1.01 0.15 -4.40 120.40 120.79 1gpu s VAL 64 Ca -0.07 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1gpu s VAL 64 Cb -0.13 -1.16 0.18 0.00 0.00 0.00 0.00 36.38 35.27 1gpu s VAL 64 CO 0.04 0.39 0.91 -0.22 0.00 0.00 0.00 175.10 176.22 1gpu s LEU 65 N 0.98 6.00 0.33 3.92 2.96 -1.26 -1.08 118.68 130.52 1gpu s LEU 65 Ca -0.08 -2.37 0.08 0.00 -0.22 0.00 0.00 54.13 51.54 1gpu s LEU 65 Cb -0.15 -2.29 0.58 0.00 0.50 0.00 0.00 46.19 44.83 1gpu s LEU 65 CO -0.00 -0.80 1.78 -1.28 -1.32 0.00 0.00 176.35 174.73 1gpu h SER 66 N 8.28 0.25 -1.55 3.68 0.87 -0.94 -3.08 113.55 121.06 1gpu h SER 66 Ca 0.11 -0.08 -0.76 0.00 -1.23 0.00 0.00 61.79 59.83 1gpu h SER 66 Cb 1.04 -0.07 -0.16 0.00 -0.44 0.00 0.00 62.40 62.77 1gpu h SER 66 CO 0.92 0.54 1.88 -0.46 -0.53 0.00 0.00 176.83 179.18 1gpu n ASN 67 N -4.12 5.15 -0.17 6.23 2.04 -1.21 -4.55 115.26 118.63 1gpu n ASN 67 Ca -0.01 -3.10 0.28 0.00 -0.44 0.00 0.00 54.58 51.32 1gpu n ASN 67 Cb 0.39 -1.49 0.72 0.00 -2.53 0.00 0.00 39.78 36.88 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 8.10 0.00 2.00 4.83 0.00 -1.84 -1.62 103.07 114.53 1gpu h GLY 68 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1gpu h GLY 68 CO 1.56 0.00 0.00 1.12 0.00 0.00 0.00 176.54 179.22 1gpu h HIS 69 N 0.00 0.00 -0.15 5.60 2.07 -1.87 -0.62 115.15 120.18 1gpu h HIS 69 Ca 0.42 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.93 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 -2.04 2.88 -0.00 6.11 0.00 -0.61 -4.25 120.51 122.60 1gpu n ALA 70 Ca -0.03 -0.51 0.23 0.00 0.00 0.00 0.00 53.44 53.13 1gpu n ALA 70 Cb 0.07 -1.04 0.73 0.00 0.00 0.00 0.00 19.45 19.21 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 1.02 0.48 -0.26 0.00 3.04 -1.32 -0.24 116.25 118.96 1gpu h VAL 71 Ca 0.01 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 1gpu h VAL 71 Cb 0.91 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1gpu h VAL 71 CO 0.14 0.00 0.19 0.00 -1.01 0.00 0.00 177.57 176.89 1gpu h ALA 72 N 1.54 2.23 -0.19 3.17 0.00 -1.86 0.69 119.26 124.83 1gpu h ALA 72 Ca 0.27 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1gpu h ALA 72 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1gpu h ALA 72 CO -0.00 -0.33 -0.37 1.25 0.00 0.00 0.00 179.25 179.80 1gpu h LEU 73 N 0.00 0.66 -0.41 0.00 5.85 -1.39 -2.12 115.31 117.90 1gpu h LEU 73 Ca 0.13 -0.55 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 1gpu h LEU 73 Cb 0.51 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1gpu h LEU 73 CO -0.00 1.08 0.08 0.25 -0.34 0.00 0.00 178.44 179.52 1gpu h LEU 74 N 0.26 0.63 -1.10 2.25 5.85 -1.17 -1.16 115.31 120.86 1gpu h LEU 74 Ca 0.01 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1gpu h LEU 74 Cb 0.97 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1gpu h LEU 74 CO 0.08 0.71 0.30 1.88 -0.34 0.00 0.00 178.44 181.08 1gpu h TYR 75 N 0.52 0.94 -0.39 1.25 0.05 -0.97 0.56 116.97 118.93 1gpu h TYR 75 Ca 0.13 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1gpu h TYR 75 Cb 0.34 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 1gpu h TYR 75 CO 0.02 0.69 0.10 0.77 -1.05 0.00 0.00 178.16 178.69 1gpu h SER 76 N 0.94 0.58 -0.43 3.88 0.02 -1.08 -1.64 113.55 115.82 1gpu h SER 76 Ca 0.23 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1gpu h SER 76 Cb 0.12 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1gpu h SER 76 CO -0.03 0.66 0.05 0.24 -1.14 0.00 0.00 176.83 176.61 1gpu h MET 77 N 0.48 0.73 -0.31 3.45 2.86 -0.75 -0.11 114.93 121.27 1gpu h MET 77 Ca 0.12 -0.20 0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1gpu h MET 77 Cb 0.30 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1gpu h MET 77 CO 0.00 0.77 0.10 -0.07 1.06 0.00 0.00 176.91 178.77 1gpu h LEU 78 N 0.58 0.10 0.10 1.22 3.38 -0.79 -0.72 115.31 119.18 1gpu h LEU 78 Ca 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1gpu h LEU 78 Cb 0.41 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1gpu h LEU 78 CO 0.01 0.09 -0.05 -0.74 0.09 0.00 0.00 178.44 177.84 1gpu h HIS 79 N 0.23 -0.13 -0.27 1.13 2.76 -1.14 -0.98 115.15 116.75 1gpu h HIS 79 Ca 0.14 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1gpu h HIS 79 Cb 0.12 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 1gpu h HIS 79 CO -0.14 0.16 0.14 -0.07 -1.30 0.00 0.00 177.93 176.71 1gpu h LEU 80 N -0.41 0.32 -1.30 0.26 3.38 -0.89 -2.95 115.31 113.72 1gpu h LEU 80 Ca -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gpu h LEU 80 Cb 0.34 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1gpu h LEU 80 CO 0.02 0.26 0.00 0.35 0.09 0.00 0.00 178.44 179.17 1gpu n THR 81 N -4.46 0.20 0.00 0.22 -2.24 -0.29 -4.80 114.28 102.91 1gpu n THR 81 Ca 0.01 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1gpu n THR 81 Cb 0.10 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 1.20 0.95 3.81 3.38 0.00 -1.11 -4.46 105.19 108.96 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 2.88 -1.25 1.61 1.51 -0.38 -4.52 117.35 115.20 1gpu s TYR 83 Ca 0.00 1.14 -0.15 0.00 -1.01 0.00 0.00 57.07 57.05 1gpu s TYR 83 Cb 0.00 -3.12 -0.04 0.00 -0.11 0.00 0.00 41.96 38.69 1gpu s TYR 83 CO 0.00 -1.71 2.23 -3.47 -1.11 0.00 0.00 175.55 171.49 1gpu n ASP 84 N -3.39 4.22 -3.69 2.29 2.03 -1.26 -4.70 116.55 112.05 1gpu n ASP 84 Ca 0.07 -2.72 -0.14 0.00 0.52 0.00 0.00 54.79 52.52 1gpu n ASP 84 Cb 0.56 -1.45 -0.14 0.00 -0.72 0.00 0.00 41.12 39.37 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 1.49 0.08 0.47 -2.67 2.96 -1.26 -4.99 118.68 114.76 1gpu s LEU 85 Ca 0.52 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.99 1gpu s LEU 85 Cb 0.14 0.56 0.03 0.00 0.50 0.00 0.00 46.19 47.43 1gpu s LEU 85 CO -0.03 -0.21 0.63 -0.94 -1.32 0.00 0.00 176.35 174.48 1gpu s SER 86 N 1.91 5.46 0.30 3.68 1.04 -1.26 -4.43 113.70 120.40 1gpu s SER 86 Ca -0.03 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.84 1gpu s SER 86 Cb -0.12 -0.36 0.46 0.00 0.10 0.00 0.00 66.02 66.10 1gpu s SER 86 CO -0.07 -0.93 1.83 0.40 0.98 0.00 0.00 173.24 175.44 1gpu h ILE 87 N 0.52 1.22 -0.71 -1.02 1.08 -1.99 -1.49 117.51 115.12 1gpu h ILE 87 Ca -0.37 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.24 1gpu h ILE 87 Cb 1.28 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 1gpu h ILE 87 CO 0.44 0.30 0.42 -0.08 -0.69 0.00 0.00 178.15 178.55 1gpu h GLU 88 N 0.67 0.97 -0.59 2.37 4.57 -1.97 0.15 114.58 120.75 1gpu h GLU 88 Ca 0.14 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1gpu h GLU 88 Cb 0.35 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1gpu h GLU 88 CO 0.01 0.69 0.33 -0.44 -1.18 0.00 0.00 179.01 178.42 1gpu h ASP 89 N 0.98 0.73 0.01 1.04 3.32 -1.67 -1.54 116.42 119.29 1gpu h ASP 89 Ca 0.26 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 1gpu h ASP 89 Cb -0.02 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1gpu h ASP 89 CO -0.05 0.60 -0.18 -0.07 -1.72 0.00 0.00 179.24 177.83 1gpu h LEU 90 N 0.79 0.30 0.00 1.55 3.38 -0.68 -1.41 115.31 119.25 1gpu h LEU 90 Ca 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1gpu h LEU 90 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1gpu h LEU 90 CO -0.03 0.51 0.00 0.29 0.09 0.00 0.00 178.44 179.29 1gpu n LYS 91 N -4.21 0.29 -0.30 1.13 5.02 0.41 -2.06 118.16 118.44 1gpu n LYS 91 Ca -0.00 0.10 0.09 0.00 -2.02 0.00 0.00 58.31 56.48 1gpu n LYS 91 Cb 0.32 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.27 2.26 -1.66 1.97 1.13 -0.54 -4.90 117.38 114.37 1gpu n GLN 92 Ca 0.09 -2.75 -0.46 0.00 -1.94 0.00 0.00 57.00 51.94 1gpu n GLN 92 Cb 0.14 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 28.74 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 -0.89 2.17 -1.46 1.08 7.35 -0.88 -1.91 117.46 122.93 1gpu n PHE 93 Ca 0.19 0.33 -0.16 0.00 -0.76 0.00 0.00 57.45 57.06 1gpu n PHE 93 Cb 0.80 -2.51 -0.07 0.00 0.35 0.00 0.00 39.48 38.05 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 3.12 -1.21 -4.13 -4.13 1.74 0.42 -4.67 116.66 107.81 1gpu n ARG 94 Ca 0.16 1.05 -0.35 0.00 -0.77 0.00 0.00 57.85 57.94 1gpu n ARG 94 Cb 0.28 -5.27 -0.07 0.00 -1.02 0.00 0.00 32.46 26.38 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 -3.30 3.15 -0.35 5.56 -1.52 -0.80 -4.88 119.66 117.51 1gpu s GLN 95 Ca 0.00 -0.35 -0.42 0.00 -1.95 0.00 0.00 55.36 52.63 1gpu s GLN 95 Cb 0.00 -2.94 -0.17 0.00 -0.22 0.00 0.00 33.01 29.68 1gpu s GLN 95 CO 0.00 0.70 1.70 -0.11 -0.25 0.00 0.00 175.29 177.33 1gpu n LEU 96 N 1.73 2.01 0.00 2.90 7.94 -1.26 -1.30 117.00 129.01 1gpu n LEU 96 Ca -0.17 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.84 1gpu n LEU 96 Cb 0.54 -1.05 0.00 0.00 0.53 0.00 0.00 43.42 43.43 1gpu n LEU 96 CO 0.33 -0.56 0.00 0.61 -1.11 0.00 0.00 177.39 176.66 1gpu n GLY 97 N 4.14 0.81 3.89 -3.96 0.00 -1.26 -5.04 105.19 103.77 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 -2.64 4.86 0.00 1.61 1.04 -0.42 -4.94 113.70 113.21 1gpu s SER 98 Ca 0.00 0.93 0.26 0.00 0.48 0.00 0.00 55.95 57.62 1gpu s SER 98 Cb 0.00 -1.55 1.21 0.00 0.10 0.00 0.00 66.02 65.78 1gpu s SER 98 CO 0.00 -1.69 1.82 0.54 0.98 0.00 0.00 173.24 174.88 1gpu n ARG 99 N -3.20 1.42 -3.39 4.02 1.74 -1.26 -4.39 116.66 111.59 1gpu n ARG 99 Ca 0.08 -0.61 -0.27 0.00 -0.77 0.00 0.00 57.85 56.28 1gpu n ARG 99 Cb 0.59 -1.44 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 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 -0.23 2.07 -1.04 0.55 -2.24 -1.26 -4.97 114.28 107.16 1gpu n THR 100 Ca 0.19 -5.11 -0.31 0.00 -2.27 0.00 0.00 64.05 56.55 1gpu n THR 100 Cb 0.25 -2.08 0.13 0.00 -2.10 0.00 0.00 70.33 66.52 1gpu n THR 100 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1gpu s PRO 101 N -2.36 1.60 0.42 -0.78 0.02 -1.26 -0.43 135.00 132.21 1gpu s PRO 101 Ca 0.40 1.24 0.22 0.00 0.02 0.00 0.00 61.00 62.87 1gpu s PRO 101 Cb 0.15 -1.82 1.17 0.00 0.02 0.00 0.00 34.50 34.03 1gpu s PRO 101 CO -0.02 -2.12 1.62 0.78 -0.33 0.00 0.00 177.00 176.92 1gpu h GLY 102 N -1.48 0.00 -4.89 0.52 0.00 -1.94 -3.41 103.07 91.87 1gpu h GLY 102 Ca -0.45 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 1gpu h GLY 102 CO 0.48 0.00 -0.60 0.30 0.00 0.00 0.00 176.54 176.73 1gpu s HIS 103 N -3.62 0.14 0.19 5.60 3.76 -1.26 -4.78 115.29 115.32 1gpu s HIS 103 Ca -0.02 -0.32 -0.32 0.00 -0.15 0.00 0.00 55.06 54.25 1gpu s HIS 103 Cb 0.06 -0.11 -0.12 0.00 1.11 0.00 0.00 32.58 33.52 1gpu s HIS 103 CO 0.20 -0.23 1.72 -2.30 -0.85 0.00 0.00 174.74 173.27 1gpu n PRO 104 N 1.58 2.69 -4.89 8.40 -0.02 -1.26 -4.93 135.00 136.57 1gpu n PRO 104 Ca -0.23 0.97 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 1gpu n PRO 104 Cb 0.55 -2.81 -0.14 0.00 -0.02 0.00 0.00 33.50 31.08 1gpu n PRO 104 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1gpu s GLU 105 N 1.33 3.08 0.39 -0.52 2.02 -1.26 -2.07 118.70 121.67 1gpu s GLU 105 Ca 0.76 -0.73 0.22 0.00 0.02 0.00 0.00 54.97 55.25 1gpu s GLU 105 Cb -0.53 -2.50 1.26 0.00 0.10 0.00 0.00 34.13 32.46 1gpu s GLU 105 CO 0.34 0.32 1.66 0.35 0.02 0.00 0.00 175.26 177.94 1gpu h PHE 106 N 6.34 0.70 -0.60 1.61 3.57 -1.81 -1.75 116.94 124.99 1gpu h PHE 106 Ca -0.30 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.32 1gpu h PHE 106 Cb 1.20 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 1gpu h PHE 106 CO 0.49 -0.17 0.40 1.49 -2.23 0.00 0.00 178.31 178.29 1gpu h GLU 107 N 0.21 0.41 -6.62 1.11 4.81 -1.88 -3.43 114.58 109.20 1gpu h GLU 107 Ca 0.76 -0.02 -0.52 0.00 -0.13 0.00 0.00 59.36 59.44 1gpu h GLU 107 Cb 2.07 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 31.38 1gpu h GLU 107 CO -0.49 0.27 0.60 -1.17 -0.73 0.00 0.00 179.01 177.50 1gpu s LEU 108 N -9.36 4.42 0.23 1.64 2.96 -0.66 -4.97 118.68 112.94 1gpu s LEU 108 Ca -0.08 2.24 -0.31 0.00 -0.22 0.00 0.00 54.13 55.76 1gpu s LEU 108 Cb 0.20 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.18 1gpu s LEU 108 CO 0.75 -0.46 1.57 -2.84 -1.32 0.00 0.00 176.35 174.05 1gpu s PRO 109 N 0.22 4.19 0.00 0.98 0.02 -1.26 -1.57 135.00 137.58 1gpu s PRO 109 Ca 0.56 2.45 0.00 0.00 0.02 0.00 0.00 61.00 64.03 1gpu s PRO 109 Cb -0.33 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.09 1gpu s PRO 109 CO 0.35 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.83 1gpu n GLY 110 N 2.99 2.66 3.51 0.52 0.00 -1.26 -4.90 105.19 108.71 1gpu n GLY 110 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.74 5.25 0.03 1.61 1.01 -0.61 -4.95 120.40 120.01 1gpu s VAL 111 Ca 0.00 -0.32 0.21 0.00 0.00 0.00 0.00 61.98 61.87 1gpu s VAL 111 Cb 0.00 -3.81 0.18 0.00 0.00 0.00 0.00 36.38 32.75 1gpu s VAL 111 CO 0.00 -0.13 1.70 -0.33 0.00 0.00 0.00 175.10 176.33 1gpu h GLU 112 N 8.54 0.00 -2.82 2.72 4.39 -1.85 -3.42 114.58 122.14 1gpu h GLU 112 Ca -0.30 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.48 1gpu h GLU 112 Cb 1.14 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.71 1gpu h GLU 112 CO 0.68 0.31 0.29 0.14 -1.16 0.00 0.00 179.01 179.27 1gpu s VAL 113 N -3.43 0.00 -0.14 3.13 -7.23 -1.26 -4.91 120.40 106.56 1gpu s VAL 113 Ca 0.02 -0.61 -0.22 0.00 -1.81 0.00 0.00 61.98 59.36 1gpu s VAL 113 Cb 0.09 -1.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1gpu s VAL 113 CO 0.68 0.00 0.66 -0.89 -0.31 0.00 0.00 175.10 175.23 1gpu s THR 114 N -3.70 5.03 0.48 5.32 2.01 -1.26 -3.95 115.64 119.58 1gpu s THR 114 Ca 0.08 1.29 0.02 0.00 0.31 0.00 0.00 61.69 63.39 1gpu s THR 114 Cb -0.03 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.49 1gpu s THR 114 CO -0.00 0.17 0.06 0.42 -0.69 0.00 0.00 174.62 174.58 1gpu s THR 115 N 1.42 0.81 0.00 -0.82 -4.23 -0.88 -4.82 115.64 107.12 1gpu s THR 115 Ca 0.32 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1gpu s THR 115 Cb -0.16 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1gpu s THR 115 CO 0.13 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1gpu n GLY 116 N -1.16 3.93 3.62 3.99 0.00 -1.26 -4.17 105.19 110.15 1gpu n GLY 116 Ca -0.15 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 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 3.92 0.40 1.61 0.02 -1.26 -4.79 135.00 134.89 1gpu s PRO 117 Ca 0.00 0.97 -0.25 0.00 0.02 0.00 0.00 61.00 61.73 1gpu s PRO 117 Cb 0.00 -3.83 -0.11 0.00 0.02 0.00 0.00 34.50 30.58 1gpu s PRO 117 CO 0.00 -1.11 1.11 1.28 -0.33 0.00 0.00 177.00 177.95 1gpu n LEU 118 N 7.40 3.01 0.00 -5.54 4.77 -1.26 -2.94 117.00 122.44 1gpu n LEU 118 Ca 0.13 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1gpu n LEU 118 Cb 0.48 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 1gpu n LEU 118 CO 0.64 -1.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.19 1gpu n GLY 119 N 1.04 3.26 0.09 -0.72 0.00 -1.26 -4.91 105.19 102.69 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 2.03 0.16 -0.09 1.61 1.08 -1.85 -3.16 115.11 114.90 1gpu h GLN 120 Ca 0.00 -0.09 0.04 0.00 -1.45 0.00 0.00 58.65 57.15 1gpu h GLN 120 Cb 0.00 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 1gpu h GLN 120 CO 0.00 0.63 -0.33 0.78 -0.95 0.00 0.00 178.83 178.96 1gpu h GLY 121 N -0.30 -0.49 1.30 3.46 0.00 -1.81 0.25 103.07 105.48 1gpu h GLY 121 Ca 0.01 0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.75 1gpu h GLY 121 CO 0.02 -0.23 0.45 1.19 0.00 0.00 0.00 176.54 177.98 1gpu h ILE 122 N -0.43 1.16 -0.33 2.60 6.09 -1.90 -0.40 117.51 124.30 1gpu h ILE 122 Ca 0.08 -0.31 -0.14 0.00 -1.37 0.00 0.00 64.86 63.12 1gpu h ILE 122 Cb 0.56 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.01 1gpu h ILE 122 CO -0.33 0.16 -0.36 0.28 -3.07 0.00 0.00 178.15 174.84 1gpu h SER 123 N 0.90 0.81 -0.60 2.19 0.02 -1.32 -2.33 113.55 113.22 1gpu h SER 123 Ca 0.26 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1gpu h SER 123 Cb -0.07 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.22 1gpu h SER 123 CO -0.06 1.08 0.33 0.78 -1.14 0.00 0.00 176.83 177.83 1gpu h ASN 124 N 0.64 0.75 -0.63 3.07 -0.26 0.37 -2.45 115.58 117.07 1gpu h ASN 124 Ca 0.06 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1gpu h ASN 124 Cb 0.90 -0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.94 1gpu h ASN 124 CO 0.08 0.63 0.39 0.00 -1.06 0.00 0.00 177.43 177.47 1gpu h ALA 125 N 1.15 1.50 -0.87 -0.83 0.00 -0.84 -0.68 119.26 118.70 1gpu h ALA 125 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1gpu h ALA 125 Cb 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1gpu h ALA 125 CO -0.03 0.44 0.55 0.28 0.00 0.00 0.00 179.25 180.49 1gpu h VAL 126 N 0.87 1.23 -0.57 0.00 2.07 -0.95 -0.32 116.25 118.58 1gpu h VAL 126 Ca 0.23 -0.47 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 1gpu h VAL 126 Cb -0.06 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.67 1gpu h VAL 126 CO -0.05 0.23 -0.00 1.23 0.02 0.00 0.00 177.57 179.01 1gpu h GLY 127 N 1.19 1.06 1.02 2.17 0.00 -0.96 -1.53 103.07 106.02 1gpu h GLY 127 Ca 0.32 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1gpu h GLY 127 CO -0.06 0.70 0.27 -0.33 0.00 0.00 0.00 176.54 177.12 1gpu h MET 128 N 0.90 1.04 -0.26 4.80 2.86 -0.40 -0.55 114.93 123.33 1gpu h MET 128 Ca 0.16 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1gpu h MET 128 Cb 0.53 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1gpu h MET 128 CO 0.03 0.87 -0.25 0.00 1.06 0.00 0.00 176.91 178.62 1gpu h ALA 129 N 1.13 1.10 -0.39 6.32 0.00 -0.87 -1.26 119.26 125.29 1gpu h ALA 129 Ca 0.23 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1gpu h ALA 129 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1gpu h ALA 129 CO -0.02 0.56 -0.16 0.52 0.00 0.00 0.00 179.25 180.15 1gpu h MET 130 N 0.43 0.80 -0.62 0.00 2.86 -0.83 -1.63 114.93 115.94 1gpu h MET 130 Ca 0.06 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1gpu h MET 130 Cb 0.66 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1gpu h MET 130 CO 0.05 0.96 0.27 0.00 1.06 0.00 0.00 176.91 179.26 1gpu h ALA 131 N 0.82 0.81 -0.49 6.32 0.00 -0.85 -1.72 119.26 124.14 1gpu h ALA 131 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1gpu h ALA 131 Cb 0.71 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1gpu h ALA 131 CO 0.05 0.40 0.28 0.37 0.00 0.00 0.00 179.25 180.35 1gpu h GLN 132 N 0.86 0.67 -0.81 0.00 -0.00 -1.11 0.30 115.11 115.03 1gpu h GLN 132 Ca 0.21 -0.07 0.01 0.00 -0.00 0.00 0.00 58.65 58.80 1gpu h GLN 132 Cb 0.16 -0.14 -0.04 0.00 0.00 0.00 0.00 27.48 27.46 1gpu h GLN 132 CO -0.02 0.51 0.53 0.00 0.00 0.00 0.00 178.83 179.85 1gpu h ALA 133 N 1.13 1.03 -0.27 3.38 0.00 -0.96 -1.09 119.26 122.49 1gpu h ALA 133 Ca 0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1gpu h ALA 133 Cb 0.02 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1gpu h ALA 133 CO -0.03 0.41 -0.31 -0.97 0.00 0.00 0.00 179.25 178.35 1gpu h ASN 134 N 1.07 0.73 -0.61 0.00 -0.73 -0.98 -1.59 115.58 113.48 1gpu h ASN 134 Ca 0.30 -0.49 0.00 0.00 1.87 0.00 0.00 56.30 57.99 1gpu h ASN 134 Cb -0.10 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 38.26 1gpu h ASN 134 CO -0.08 1.07 0.39 0.25 -0.37 0.00 0.00 177.43 178.70 1gpu h LEU 135 N 0.40 0.70 -0.28 0.34 5.85 -0.67 0.14 115.31 121.79 1gpu h LEU 135 Ca 0.04 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1gpu h LEU 135 Cb 0.88 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1gpu h LEU 135 CO 0.07 0.52 0.05 0.00 -0.34 0.00 0.00 178.44 178.74 1gpu h ALA 136 N 1.21 0.38 0.00 1.25 0.00 -1.19 0.03 119.26 120.94 1gpu h ALA 136 Ca 0.22 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1gpu h ALA 136 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1gpu h ALA 136 CO -0.05 0.06 -0.23 0.00 0.00 0.00 0.00 179.25 179.04 1gpu h ALA 137 N 0.87 1.22 0.17 0.00 0.00 -0.96 -0.71 119.26 119.86 1gpu h ALA 137 Ca 0.09 -0.21 -0.35 0.00 0.00 0.00 0.00 54.91 54.44 1gpu h ALA 137 Cb 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1gpu h ALA 137 CO 0.01 0.29 -1.80 1.15 0.00 0.00 0.00 179.25 178.89 1gpu h THR 138 N 0.00 0.87 0.00 0.00 2.02 -0.50 -3.43 112.91 111.87 1gpu h THR 138 Ca -0.00 -2.49 -0.05 0.00 0.77 0.00 0.00 66.41 64.64 1gpu h THR 138 Cb 0.56 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1gpu h THR 138 CO 0.03 0.86 -1.53 -1.22 0.37 0.00 0.00 175.52 174.03 1gpu n TYR 139 N -3.55 0.00 -1.83 3.16 4.01 -0.02 -5.02 117.16 113.90 1gpu n TYR 139 Ca -0.26 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.08 1gpu n TYR 139 Cb 1.07 -0.31 0.01 0.00 -0.31 0.00 0.00 39.34 39.80 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 -3.49 6.00 0.10 7.72 0.01 -0.28 -4.87 114.94 120.13 1gpu s ASN 140 Ca -0.04 2.91 -0.01 0.00 -0.71 0.00 0.00 52.86 55.02 1gpu s ASN 140 Cb 0.06 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1gpu s ASN 140 CO 0.43 -1.09 0.00 -0.54 -1.51 0.00 0.00 177.10 174.39 1gpu s LYS 141 N -2.37 0.80 0.10 -0.60 -0.14 -0.52 -4.96 119.74 112.05 1gpu s LYS 141 Ca 0.59 -1.34 -0.34 0.00 -1.36 0.00 0.00 55.97 53.51 1gpu s LYS 141 Cb -0.44 0.15 -0.14 0.00 -1.68 0.00 0.00 37.83 35.73 1gpu s LYS 141 CO 0.57 -0.17 1.62 -2.30 -0.76 0.00 0.00 175.35 174.31 1gpu n PRO 142 N -0.01 2.05 -0.77 -1.68 -0.02 -1.26 0.20 135.00 133.51 1gpu n PRO 142 Ca -0.10 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1gpu n PRO 142 Cb 0.62 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.53 1.42 2.57 -1.23 0.00 -1.26 -4.94 105.19 105.28 1gpu n GLY 143 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1gpu n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gpu s PHE 144 N -3.72 1.75 -1.04 1.61 0.08 0.13 -5.03 117.98 111.76 1gpu s PHE 144 Ca 0.00 -2.49 -0.15 0.00 0.12 0.00 0.00 56.93 54.41 1gpu s PHE 144 Cb 0.00 -1.49 0.17 0.00 -0.57 0.00 0.00 43.02 41.14 1gpu s PHE 144 CO 0.00 -0.76 1.20 0.99 -0.10 0.00 0.00 175.22 176.55 1gpu s THR 145 N -0.11 5.09 0.20 0.64 2.01 -1.26 -1.45 115.64 120.78 1gpu s THR 145 Ca 0.27 -2.30 0.07 0.00 0.31 0.00 0.00 61.69 60.04 1gpu s THR 145 Cb -0.06 -4.77 -0.11 0.00 0.01 0.00 0.00 72.50 67.57 1gpu s THR 145 CO -0.13 -1.46 1.46 -0.07 -0.69 0.00 0.00 174.62 173.73 1gpu h LEU 146 N 9.41 0.07 -7.80 4.42 3.38 -1.91 -3.44 115.31 119.43 1gpu h LEU 146 Ca 0.21 -0.05 -0.54 0.00 0.09 0.00 0.00 57.88 57.60 1gpu h LEU 146 Cb 0.95 -0.02 -0.36 0.00 0.09 0.00 0.00 40.66 41.32 1gpu h LEU 146 CO 1.11 0.82 -0.81 -0.55 0.09 0.00 0.00 178.44 179.10 1gpu s SER 147 N -6.83 2.15 0.00 -0.43 0.15 -1.26 -4.73 113.70 102.75 1gpu s SER 147 Ca -0.01 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1gpu s SER 147 Cb 0.11 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.54 1gpu s SER 147 CO 0.80 -0.07 0.49 -0.90 1.20 0.00 0.00 173.24 174.76 1gpu n ASP 148 N 4.63 -0.20 -4.78 5.45 5.75 -1.26 -4.64 116.55 121.50 1gpu n ASP 148 Ca -0.16 -0.98 -0.31 0.00 -0.01 0.00 0.00 54.79 53.33 1gpu n ASP 148 Cb 0.50 0.06 0.08 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 -0.20 4.72 0.22 -1.12 4.22 -1.26 -5.05 114.94 116.47 1gpu s ASN 149 Ca 0.00 1.76 0.05 0.00 -2.14 0.00 0.00 52.86 52.52 1gpu s ASN 149 Cb 0.00 -2.50 -0.03 0.00 1.28 0.00 0.00 41.25 39.99 1gpu s ASN 149 CO 0.00 -1.89 0.34 -0.31 -2.04 0.00 0.00 177.10 173.21 1gpu s TYR 150 N -2.94 3.45 -0.24 1.54 2.02 -1.26 -4.95 117.35 114.97 1gpu s TYR 150 Ca 0.60 0.00 0.02 0.00 -0.37 0.00 0.00 57.07 57.32 1gpu s TYR 150 Cb -0.16 -1.58 0.06 0.00 -0.40 0.00 0.00 41.96 39.87 1gpu s TYR 150 CO 0.56 0.45 -0.09 0.99 -1.57 0.00 0.00 175.55 175.89 1gpu s THR 151 N -1.94 1.87 -0.09 -0.71 2.01 -0.10 -1.38 115.64 115.30 1gpu s THR 151 Ca 0.34 -1.40 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 1gpu s THR 151 Cb -0.09 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.35 1gpu s THR 151 CO 0.29 -0.02 0.06 -0.31 -0.69 0.00 0.00 174.62 173.95 1gpu s TYR 152 N 1.25 3.33 -0.00 4.92 2.02 0.10 -0.77 117.35 128.20 1gpu s TYR 152 Ca -0.07 0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 1gpu s TYR 152 Cb -0.19 -1.84 -0.00 0.00 -0.40 0.00 0.00 41.96 39.53 1gpu s TYR 152 CO -0.06 0.58 -0.04 0.08 -1.57 0.00 0.00 175.55 174.54 1gpu s VAL 153 N -0.97 0.29 -0.12 0.71 1.01 -0.33 -0.67 120.40 120.32 1gpu s VAL 153 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 1gpu s VAL 153 Cb -0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1gpu s VAL 153 CO 0.04 0.09 -0.05 -0.36 0.00 0.00 0.00 175.10 174.82 1gpu s PHE 154 N -0.02 3.01 0.12 5.22 0.40 -0.24 0.08 117.98 126.54 1gpu s PHE 154 Ca 0.01 -0.17 -0.13 0.00 -0.60 0.00 0.00 56.93 56.04 1gpu s PHE 154 Cb -0.02 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.66 1gpu s PHE 154 CO -0.00 0.12 0.32 -0.48 0.70 0.00 0.00 175.22 175.88 1gpu s LEU 155 N -0.11 0.78 0.00 -0.37 2.34 -0.84 -0.23 118.68 120.25 1gpu s LEU 155 Ca 0.02 -0.47 0.00 0.00 0.06 0.00 0.00 54.13 53.74 1gpu s LEU 155 Cb -0.13 1.53 0.00 0.00 -0.56 0.00 0.00 46.19 47.03 1gpu s LEU 155 CO 0.03 -0.82 0.00 0.61 -1.06 0.00 0.00 176.35 175.11 1gpu n GLY 156 N -0.17 4.78 0.30 -3.48 0.00 -1.26 -0.64 105.19 104.71 1gpu n GLY 156 Ca -0.15 -2.13 0.03 0.00 0.00 0.00 0.00 46.02 43.78 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 0.43 -0.31 1.61 3.32 -1.90 -2.73 116.42 116.84 1gpu h ASP 157 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1gpu h ASP 157 Cb 0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1gpu h ASP 157 CO 0.00 0.36 0.20 1.23 -1.72 0.00 0.00 179.24 179.30 1gpu h GLY 158 N 0.57 0.43 1.41 2.75 0.00 -1.96 -1.77 103.07 104.51 1gpu h GLY 158 Ca 0.13 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 1gpu h GLY 158 CO -0.02 0.16 -0.08 0.00 0.00 0.00 0.00 176.54 176.60 1gpu h LEU 160 N 0.66 0.00 0.00 0.00 3.38 -1.17 -3.00 115.31 115.18 1gpu h LEU 160 Ca 0.12 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1gpu h LEU 160 Cb 0.52 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1gpu h LEU 160 CO 0.03 0.12 -1.18 1.56 0.09 0.00 0.00 178.44 179.06 1gpu h GLN 161 N 0.00 0.00 -6.44 1.13 4.20 -0.94 -3.45 115.11 109.61 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 0.46 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.25 1gpu h GLN 161 CO 0.02 0.39 0.76 -1.21 -0.67 0.00 0.00 178.83 178.11 1gpu s GLU 162 N -2.90 4.32 0.45 1.46 0.41 -1.10 -4.91 118.70 116.43 1gpu s GLU 162 Ca -0.01 1.96 0.24 0.00 -0.41 0.00 0.00 54.97 56.75 1gpu s GLU 162 Cb 0.08 -3.44 1.24 0.00 -1.78 0.00 0.00 34.13 30.23 1gpu s GLU 162 CO 0.80 -0.48 1.80 0.78 -0.49 0.00 0.00 175.26 177.67 1gpu h GLY 163 N 7.65 0.78 1.00 -1.39 0.00 -1.89 -1.38 103.07 107.84 1gpu h GLY 163 Ca -0.40 -0.14 0.07 0.00 0.00 0.00 0.00 47.33 46.87 1gpu h GLY 163 CO 0.88 -0.08 0.49 1.19 0.00 0.00 0.00 176.54 179.02 1gpu h ILE 164 N 0.27 1.01 0.00 2.60 2.10 -1.91 -1.36 117.51 120.22 1gpu h ILE 164 Ca 0.55 -0.27 -0.10 0.00 1.08 0.00 0.00 64.86 66.12 1gpu h ILE 164 Cb 1.64 0.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.53 1gpu h ILE 164 CO -0.19 0.14 -0.49 0.77 -1.08 0.00 0.00 178.15 177.30 1gpu h SER 165 N 0.77 0.00 -0.25 2.19 4.64 -1.44 -1.32 113.55 118.14 1gpu h SER 165 Ca 0.33 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 1gpu h SER 165 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1gpu h SER 165 CO -0.11 0.49 -0.16 0.28 -0.87 0.00 0.00 176.83 176.47 1gpu h SER 166 N 0.00 0.56 0.19 4.97 0.02 -1.35 0.68 113.55 118.62 1gpu h SER 166 Ca -0.00 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1gpu h SER 166 Cb 0.89 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 1gpu h SER 166 CO 0.06 0.87 -0.17 -0.33 -1.14 0.00 0.00 176.83 176.13 1gpu h GLU 167 N 0.26 -0.36 -0.71 3.45 5.08 -1.20 0.49 114.58 121.59 1gpu h GLU 167 Ca 0.05 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1gpu h GLU 167 Cb 0.68 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1gpu h GLU 167 CO 0.04 -0.24 0.28 0.00 -1.00 0.00 0.00 179.01 178.10 1gpu h ALA 168 N 0.40 1.17 -0.09 3.43 0.00 -1.22 -2.05 119.26 120.90 1gpu h ALA 168 Ca -0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1gpu h ALA 168 Cb 0.34 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1gpu h ALA 168 CO -0.03 0.60 -0.66 0.77 0.00 0.00 0.00 179.25 179.94 1gpu h SER 169 N 1.02 0.43 -0.19 0.00 0.02 -0.66 0.37 113.55 114.54 1gpu h SER 169 Ca 0.24 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 1gpu h SER 169 Cb 0.19 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1gpu h SER 169 CO -0.02 0.97 0.04 -1.28 -1.14 0.00 0.00 176.83 175.40 1gpu h SER 170 N 0.26 0.29 -0.38 3.07 0.87 -0.66 -1.38 113.55 115.61 1gpu h SER 170 Ca -0.02 -0.24 -0.10 0.00 -1.23 0.00 0.00 61.79 60.21 1gpu h SER 170 Cb 1.21 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 1gpu h SER 170 CO 0.11 0.45 -0.12 0.25 -0.53 0.00 0.00 176.83 176.99 1gpu h LEU 171 N 0.11 0.83 -1.01 2.23 5.85 -1.32 -1.90 115.31 120.09 1gpu h LEU 171 Ca 0.06 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1gpu h LEU 171 Cb 0.28 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1gpu h LEU 171 CO 0.00 0.96 0.30 0.00 -0.34 0.00 0.00 178.44 179.36 1gpu h ALA 172 N 1.11 1.22 -0.29 1.25 0.00 -0.76 -0.04 119.26 121.75 1gpu h ALA 172 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1gpu h ALA 172 Cb 0.62 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1gpu h ALA 172 CO 0.04 0.58 -0.04 0.78 0.00 0.00 0.00 179.25 180.61 1gpu h GLY 173 N 1.06 0.58 1.12 0.00 0.00 -0.98 -2.21 103.07 102.65 1gpu h GLY 173 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1gpu h GLY 173 CO -0.02 0.42 0.57 0.84 0.00 0.00 0.00 176.54 178.34 1gpu h HIS 174 N 0.31 1.12 0.00 5.60 6.17 -0.93 -1.99 115.15 125.44 1gpu h HIS 174 Ca 0.08 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.17 1gpu h HIS 174 Cb 0.49 -0.38 0.00 0.00 2.52 0.00 0.00 27.41 30.05 1gpu h HIS 174 CO 0.04 0.72 0.00 1.28 0.71 0.00 0.00 177.93 180.69 1gpu n LEU 175 N -4.39 0.00 -3.99 0.26 4.77 -0.07 -4.76 117.00 108.83 1gpu n LEU 175 Ca 0.10 0.13 -0.28 0.00 -0.03 0.00 0.00 56.01 55.93 1gpu n LEU 175 Cb 0.03 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1gpu n LEU 175 CO 0.37 -0.02 -0.14 0.29 -1.33 0.00 0.00 177.39 176.56 1gpu n LYS 176 N -1.13 -3.62 -2.38 3.23 5.02 -0.75 -4.48 118.16 114.05 1gpu n LYS 176 Ca 0.17 0.43 -0.37 0.00 -2.02 0.00 0.00 58.31 56.52 1gpu n LYS 176 Cb 0.15 -4.79 -0.02 0.00 -0.02 0.00 0.00 35.03 30.34 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 -7.04 3.53 0.00 -0.35 1.43 -1.17 -4.23 118.68 110.85 1gpu s LEU 177 Ca 0.22 -2.09 0.09 0.00 -1.03 0.00 0.00 54.13 51.32 1gpu s LEU 177 Cb -0.12 -2.58 0.39 0.00 0.03 0.00 0.00 46.19 43.91 1gpu s LEU 177 CO 0.88 -1.90 1.29 0.61 0.23 0.00 0.00 176.35 177.46 1gpu n GLY 178 N 5.64 -0.81 1.18 -3.19 0.00 -1.21 -2.06 105.19 104.74 1gpu n GLY 178 Ca 0.47 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.57 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 -1.51 3.45 -4.62 1.61 4.13 -1.26 -4.62 115.26 112.44 1gpu n ASN 179 Ca 0.02 -1.98 -0.38 0.00 1.68 0.00 0.00 54.58 53.92 1gpu n ASN 179 Cb 0.10 -0.35 -0.10 0.00 -1.54 0.00 0.00 39.78 37.89 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 -1.23 4.07 -0.10 3.41 2.96 -0.88 -0.93 118.68 125.98 1gpu s LEU 180 Ca 0.42 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.47 1gpu s LEU 180 Cb 0.23 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1gpu s LEU 180 CO 0.31 -0.04 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.59 1gpu s ILE 181 N 1.55 1.02 -0.07 6.68 1.01 0.05 -1.82 121.20 129.64 1gpu s ILE 181 Ca 0.10 -0.31 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1gpu s ILE 181 Cb -0.15 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 1gpu s ILE 181 CO 0.08 0.36 -0.17 0.00 0.00 0.00 0.00 174.94 175.22 1gpu s ALA 182 N 1.52 2.53 -0.25 9.38 0.00 0.14 -1.19 121.76 133.90 1gpu s ALA 182 Ca 0.01 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 1gpu s ALA 182 Cb -0.13 -0.94 0.02 0.00 0.00 0.00 0.00 23.12 22.06 1gpu s ALA 182 CO -0.06 0.46 -0.03 0.42 0.00 0.00 0.00 175.76 176.55 1gpu s ILE 183 N -0.38 3.20 -0.27 0.00 1.01 0.11 -0.15 121.20 124.73 1gpu s ILE 183 Ca 0.04 -0.84 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1gpu s ILE 183 Cb -0.12 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 1gpu s ILE 183 CO 0.02 0.22 0.50 -0.47 0.00 0.00 0.00 174.94 175.21 1gpu s TYR 184 N 1.39 3.25 -1.03 3.97 5.04 0.07 -1.99 117.35 128.06 1gpu s TYR 184 Ca 0.02 0.57 -0.23 0.00 -2.44 0.00 0.00 57.07 54.99 1gpu s TYR 184 Cb -0.16 -2.73 0.04 0.00 0.35 0.00 0.00 41.96 39.46 1gpu s TYR 184 CO -0.03 -0.30 1.53 0.34 -1.34 0.00 0.00 175.55 175.75 1gpu s ASP 185 N 1.58 6.36 -1.25 4.32 2.15 0.19 -1.46 116.67 128.56 1gpu s ASP 185 Ca 0.20 -1.43 -0.17 0.00 0.43 0.00 0.00 52.55 51.58 1gpu s ASP 185 Cb -0.16 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.00 1gpu s ASP 185 CO 0.10 -1.64 1.61 -0.62 -0.17 0.00 0.00 175.17 174.45 1gpu s ASP 186 N 5.28 6.91 0.00 -0.34 2.15 0.12 -4.38 116.67 126.41 1gpu s ASP 186 Ca 0.49 -2.62 0.12 0.00 0.43 0.00 0.00 52.55 50.98 1gpu s ASP 186 Cb -0.00 -2.51 0.27 0.00 -0.30 0.00 0.00 42.92 40.37 1gpu s ASP 186 CO -0.08 -1.02 1.16 -0.46 -0.17 0.00 0.00 175.17 174.61 1gpu n ASN 187 N 7.35 2.72 -2.80 -0.34 0.23 -1.26 -1.98 115.26 119.19 1gpu n ASN 187 Ca 0.43 -1.84 -0.17 0.00 -0.53 0.00 0.00 54.58 52.47 1gpu n ASN 187 Cb 0.45 -0.18 -0.00 0.00 -2.08 0.00 0.00 39.78 37.97 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 0.67 -2.87 -3.86 -3.83 5.02 -1.26 -4.59 118.16 107.44 1gpu n LYS 188 Ca 0.11 0.58 -0.12 0.00 -2.02 0.00 0.00 58.31 56.87 1gpu n LYS 188 Cb 0.41 -5.24 -0.14 0.00 -0.02 0.00 0.00 35.03 30.03 1gpu n LYS 188 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1gpu s ILE 189 N -2.77 -0.00 0.26 -0.18 -1.09 -1.26 -2.10 121.20 114.06 1gpu s ILE 189 Ca 0.16 0.01 0.05 0.00 -2.23 0.00 0.00 60.65 58.65 1gpu s ILE 189 Cb -0.08 -0.03 -0.02 0.00 -1.58 0.00 0.00 42.46 40.75 1gpu s ILE 189 CO 0.20 0.01 0.19 0.35 -1.23 0.00 0.00 174.94 174.45 1gpu n THR 190 N 3.14 0.00 -0.35 2.92 -2.24 0.13 -4.85 114.28 113.03 1gpu n THR 190 Ca -0.13 -1.82 0.05 0.00 -2.27 0.00 0.00 64.05 59.88 1gpu n THR 190 Cb 0.59 0.84 0.22 0.00 -2.10 0.00 0.00 70.33 69.89 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 1.73 1.01 0.00 2.28 2.04 -1.98 -1.80 117.51 120.79 1gpu h ILE 191 Ca -0.19 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1gpu h ILE 191 Cb 0.90 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1gpu h ILE 191 CO 0.29 0.19 0.00 0.47 0.00 0.00 0.00 178.15 179.10 1gpu n ASP 192 N -4.54 0.00 0.00 1.72 9.92 -1.26 -5.00 116.55 117.39 1gpu n ASP 192 Ca 0.16 -0.36 0.00 0.00 -0.53 0.00 0.00 54.79 54.06 1gpu n ASP 192 Cb 0.26 -0.20 0.00 0.00 -0.64 0.00 0.00 41.12 40.54 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 1.02 0.23 3.76 0.44 0.00 -0.68 -5.06 105.19 104.90 1gpu n GLY 193 Ca 0.16 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.66 3.13 0.46 4.61 0.00 -1.26 -0.70 121.76 126.34 1gpu s ALA 194 Ca 0.00 1.25 0.16 0.00 0.00 0.00 0.00 51.96 53.37 1gpu s ALA 194 Cb 0.00 -3.51 1.11 0.00 0.00 0.00 0.00 23.12 20.72 1gpu s ALA 194 CO 0.00 -0.98 2.03 1.79 0.00 0.00 0.00 175.76 178.60 1gpu h THR 195 N 2.14 1.05 0.00 0.00 1.35 -1.73 -2.95 112.91 112.77 1gpu h THR 195 Ca -0.50 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 1gpu h THR 195 Cb 1.26 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1gpu h THR 195 CO 0.61 0.14 0.25 0.77 -0.25 0.00 0.00 175.52 177.04 1gpu h SER 196 N 0.00 0.00 0.77 5.36 4.64 -1.85 0.68 113.55 123.15 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 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1gpu h SER 196 CO 0.02 0.00 -0.04 2.30 -0.87 0.00 0.00 176.83 178.24 1gpu n ILE 197 N -2.80 0.00 -1.24 0.95 -5.35 -1.12 -4.40 119.36 105.40 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 0.30 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 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 -1.39 0.00 -3.30 7.28 3.41 -0.49 -5.06 113.62 114.08 1gpu n SER 198 Ca 0.10 -0.33 -0.19 0.00 -0.26 0.00 0.00 58.87 58.19 1gpu n SER 198 Cb 0.30 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 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 0.04 -0.13 7.33 5.36 0.23 -4.97 117.98 125.84 1gpu s PHE 199 Ca 0.00 -1.32 0.15 0.00 -0.96 0.00 0.00 56.93 54.80 1gpu s PHE 199 Cb 0.00 -0.51 0.31 0.00 -0.34 0.00 0.00 43.02 42.48 1gpu s PHE 199 CO 0.00 -0.96 1.16 -0.40 -1.46 0.00 0.00 175.22 173.56 1gpu n ASP 200 N 3.64 1.80 -4.70 6.13 5.68 -1.26 -4.12 116.55 123.71 1gpu n ASP 200 Ca 0.18 -3.17 -0.30 0.00 -0.50 0.00 0.00 54.79 51.00 1gpu n ASP 200 Cb 0.46 -0.43 0.15 0.00 -1.14 0.00 0.00 41.12 40.16 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 -2.50 1.10 -0.84 0.11 -1.05 -1.26 -4.95 118.70 109.31 1gpu s GLU 201 Ca 0.31 0.84 -0.19 0.00 -0.15 0.00 0.00 54.97 55.78 1gpu s GLU 201 Cb 0.29 -1.79 0.13 0.00 -0.44 0.00 0.00 34.13 32.32 1gpu s GLU 201 CO -0.02 -2.36 1.00 0.34 0.95 0.00 0.00 175.26 175.18 1gpu s ASP 202 N -3.34 6.53 0.18 0.83 -1.08 -1.26 -4.90 116.67 113.63 1gpu s ASP 202 Ca 0.64 -1.92 -0.13 0.00 -0.52 0.00 0.00 52.55 50.62 1gpu s ASP 202 Cb -0.19 -2.36 0.13 0.00 -1.46 0.00 0.00 42.92 39.04 1gpu s ASP 202 CO 0.57 -1.05 1.78 0.58 0.52 0.00 0.00 175.17 177.57 1gpu h VAL 203 N 5.72 0.95 -0.38 1.11 2.07 -1.99 -1.66 116.25 122.07 1gpu h VAL 203 Ca 0.03 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.42 1gpu h VAL 203 Cb 1.04 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1gpu h VAL 203 CO 1.07 0.09 0.16 0.00 0.02 0.00 0.00 177.57 178.91 1gpu h ALA 204 N 1.27 0.45 -0.73 1.67 0.00 -2.00 -0.90 119.26 119.02 1gpu h ALA 204 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1gpu h ALA 204 Cb 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1gpu h ALA 204 CO -0.16 -0.22 0.42 -0.22 0.00 0.00 0.00 179.25 179.07 1gpu h LYS 205 N 0.33 1.01 -0.14 0.00 3.64 -1.90 -0.97 116.57 118.53 1gpu h LYS 205 Ca 0.17 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1gpu h LYS 205 Cb 0.11 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1gpu h LYS 205 CO -0.15 0.73 0.08 -0.09 -2.27 0.00 0.00 179.45 177.76 1gpu h ARG 206 N 1.00 0.20 -0.32 1.90 2.43 -0.77 -1.50 114.38 117.33 1gpu h ARG 206 Ca 0.26 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1gpu h ARG 206 Cb 0.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1gpu h ARG 206 CO -0.05 0.22 -0.08 1.88 -1.51 0.00 0.00 179.97 180.43 1gpu h TYR 207 N 0.13 0.56 -0.19 2.20 -1.99 -0.95 -1.41 116.97 115.32 1gpu h TYR 207 Ca 0.05 -0.08 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 1gpu h TYR 207 Cb 0.07 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 1gpu h TYR 207 CO -0.04 0.60 -0.20 0.93 -0.00 0.00 0.00 178.16 179.45 1gpu h GLU 208 N 0.49 0.34 -0.08 4.88 5.08 -0.98 -0.73 114.58 123.58 1gpu h GLU 208 Ca 0.10 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1gpu h GLU 208 Cb 0.44 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1gpu h GLU 208 CO 0.02 0.53 -0.11 0.00 -1.00 0.00 0.00 179.01 178.45 1gpu h ALA 209 N 1.49 1.66 0.00 3.43 0.00 -0.19 -0.60 119.26 125.05 1gpu h ALA 209 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gpu h ALA 209 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1gpu h ALA 209 CO 0.04 0.25 0.00 0.66 0.00 0.00 0.00 179.25 180.20 1gpu n TYR 210 N -4.34 0.74 0.00 0.00 4.01 -0.70 -4.89 117.16 111.99 1gpu n TYR 210 Ca -0.02 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.95 1gpu n TYR 210 Cb 0.22 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.39 1gpu n TYR 210 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gpu n GLY 211 N 1.16 1.06 3.89 2.72 0.00 -0.23 -3.85 105.19 109.94 1gpu n GLY 211 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 3.47 0.00 1.61 0.52 -0.36 -4.48 118.94 117.70 1gpu s TRP 212 Ca 0.00 0.76 -0.17 0.00 0.02 0.00 0.00 56.10 56.71 1gpu s TRP 212 Cb 0.00 -2.20 -0.06 0.00 -1.15 0.00 0.00 33.47 30.06 1gpu s TRP 212 CO 0.00 0.12 0.47 -2.00 0.02 0.00 0.00 176.95 175.56 1gpu s GLU 213 N -3.54 4.07 -0.15 4.98 2.12 -0.37 -4.03 118.70 121.78 1gpu s GLU 213 Ca 0.46 0.52 0.02 0.00 0.36 0.00 0.00 54.97 56.32 1gpu s GLU 213 Cb -0.11 -3.26 0.02 0.00 0.26 0.00 0.00 34.13 31.04 1gpu s GLU 213 CO 0.29 0.59 -0.20 0.08 -0.54 0.00 0.00 175.26 175.48 1gpu s VAL 214 N -0.82 1.98 0.40 3.70 1.01 -1.26 -0.89 120.40 124.51 1gpu s VAL 214 Ca 0.26 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1gpu s VAL 214 Cb -0.17 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.38 1gpu s VAL 214 CO 0.15 0.53 0.16 -0.76 0.00 0.00 0.00 175.10 175.18 1gpu s LEU 215 N 1.06 3.12 0.04 3.92 1.43 0.14 -4.98 118.68 123.41 1gpu s LEU 215 Ca -0.02 -1.03 0.02 0.00 -1.03 0.00 0.00 54.13 52.07 1gpu s LEU 215 Cb -0.14 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1gpu s LEU 215 CO -0.07 -0.48 -0.06 -0.31 0.23 0.00 0.00 176.35 175.65 1gpu s TYR 216 N -2.57 0.58 -0.30 0.29 1.51 -1.26 -0.76 117.35 114.83 1gpu s TYR 216 Ca 0.40 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1gpu s TYR 216 Cb 0.03 -0.35 0.10 0.00 -0.11 0.00 0.00 41.96 41.63 1gpu s TYR 216 CO 0.22 -0.12 0.13 0.08 -1.11 0.00 0.00 175.55 174.75 1gpu s VAL 217 N -1.59 0.17 0.24 0.71 1.01 -0.78 -4.93 120.40 115.22 1gpu s VAL 217 Ca -0.10 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.82 1gpu s VAL 217 Cb -0.09 -1.15 0.24 0.00 0.00 0.00 0.00 36.38 35.38 1gpu s VAL 217 CO -0.01 -0.74 1.91 -0.33 0.00 0.00 0.00 175.10 175.93 1gpu h GLU 218 N 8.21 1.29 -2.80 2.72 5.08 -1.88 -1.64 114.58 125.56 1gpu h GLU 218 Ca -0.16 -0.10 -0.66 0.00 -1.00 0.00 0.00 59.36 57.44 1gpu h GLU 218 Cb 1.01 -0.28 -0.39 0.00 0.50 0.00 0.00 28.75 29.59 1gpu h GLU 218 CO 0.43 0.88 -0.30 -1.71 -1.00 0.00 0.00 179.01 177.31 1gpu n ASN 219 N -4.38 3.99 0.00 1.42 2.85 -1.26 -4.39 115.26 113.49 1gpu n ASN 219 Ca 0.11 -3.30 0.07 0.00 -0.11 0.00 0.00 54.58 51.35 1gpu n ASN 219 Cb 0.03 -0.86 0.36 0.00 1.24 0.00 0.00 39.78 40.55 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 1.56 -0.83 0.12 8.20 0.00 0.48 -1.05 105.19 113.68 1gpu n GLY 220 Ca 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 0.09 0.00 1.61 -0.26 -1.86 -3.42 115.58 111.74 1gpu h ASN 221 Ca 0.00 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1gpu h ASN 221 Cb 0.16 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1gpu h ASN 221 CO 0.00 0.82 0.00 -0.62 -1.06 0.00 0.00 177.43 176.57 1gpu n GLU 222 N -3.68 5.06 -1.89 0.81 1.02 -1.08 -4.87 120.64 116.01 1gpu n GLU 222 Ca -0.02 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.75 1gpu n GLU 222 Cb 0.73 -0.50 -0.04 0.00 -0.02 0.00 0.00 31.44 31.62 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 -0.08 3.47 -0.21 1.62 2.03 -0.21 -4.75 116.55 118.43 1gpu n ASP 223 Ca 0.00 -2.76 -0.06 0.00 0.52 0.00 0.00 54.79 52.48 1gpu n ASP 223 Cb 0.00 -1.57 0.04 0.00 -0.72 0.00 0.00 41.12 38.87 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 14.41 0.69 -0.73 -2.67 3.38 -1.93 -1.55 115.31 126.92 1gpu h LEU 224 Ca 0.38 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 1gpu h LEU 224 Cb 0.81 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1gpu h LEU 224 CO 1.57 0.52 0.38 0.00 0.09 0.00 0.00 178.44 181.00 1gpu h ALA 225 N 1.20 0.94 -0.70 1.53 0.00 -1.99 -0.85 119.26 119.40 1gpu h ALA 225 Ca 0.22 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gpu h ALA 225 Cb -0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1gpu h ALA 225 CO -0.04 0.48 0.32 0.78 0.00 0.00 0.00 179.25 180.79 1gpu h GLY 226 N 1.01 1.08 0.89 0.00 0.00 -1.86 0.25 103.07 104.45 1gpu h GLY 226 Ca 0.25 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1gpu h GLY 226 CO -0.04 0.52 0.08 -2.22 0.00 0.00 0.00 176.54 174.89 1gpu h ILE 227 N 0.98 1.16 -0.87 2.60 2.04 -0.99 -1.32 117.51 121.11 1gpu h ILE 227 Ca 0.24 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.61 1gpu h ILE 227 Cb 0.14 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1gpu h ILE 227 CO -0.03 0.16 0.58 0.00 0.00 0.00 0.00 178.15 178.86 1gpu h ALA 228 N 0.92 1.11 -0.69 1.87 0.00 -0.78 -2.02 119.26 119.68 1gpu h ALA 228 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1gpu h ALA 228 Cb 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1gpu h ALA 228 CO -0.01 0.50 0.18 -0.22 0.00 0.00 0.00 179.25 179.71 1gpu h LYS 229 N 1.18 1.09 -0.52 0.00 3.64 -0.26 -1.29 116.57 120.41 1gpu h LYS 229 Ca 0.32 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1gpu h LYS 229 Cb -0.12 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.53 1gpu h LYS 229 CO -0.07 0.96 0.24 0.00 -2.27 0.00 0.00 179.45 178.31 1gpu h ALA 230 N 1.08 0.67 -0.52 5.00 0.00 -0.81 -0.38 119.26 124.29 1gpu h ALA 230 Ca 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1gpu h ALA 230 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1gpu h ALA 230 CO -0.00 0.23 0.23 0.82 0.00 0.00 0.00 179.25 180.53 1gpu h ILE 231 N 0.69 1.21 -0.40 0.00 2.04 -1.19 -0.40 117.51 119.45 1gpu h ILE 231 Ca 0.18 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1gpu h ILE 231 Cb 0.13 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1gpu h ILE 231 CO -0.02 0.24 0.26 0.00 0.00 0.00 0.00 178.15 178.63 1gpu h ALA 232 N 1.07 0.50 -0.82 1.87 0.00 -0.91 -2.41 119.26 118.56 1gpu h ALA 232 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1gpu h ALA 232 Cb 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1gpu h ALA 232 CO -0.02 -0.04 0.41 0.37 0.00 0.00 0.00 179.25 179.97 1gpu h GLN 233 N 0.54 1.17 -0.85 0.00 5.75 -0.82 -2.44 115.11 118.47 1gpu h GLN 233 Ca 0.15 -0.16 0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1gpu h GLN 233 Cb -0.06 -0.22 -0.06 0.00 1.07 0.00 0.00 27.48 28.22 1gpu h GLN 233 CO -0.03 0.90 0.55 0.00 -2.65 0.00 0.00 178.83 177.60 1gpu h ALA 234 N 1.22 1.59 0.00 3.38 0.00 -0.61 -1.15 119.26 123.69 1gpu h ALA 234 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1gpu h ALA 234 Cb 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1gpu h ALA 234 CO -0.04 0.27 -0.08 0.87 0.00 0.00 0.00 179.25 180.27 1gpu h LYS 235 N 0.92 0.00 0.00 0.00 1.57 -0.99 -2.94 116.57 115.13 1gpu h LYS 235 Ca 0.37 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.99 1gpu h LYS 235 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1gpu h LYS 235 CO -0.14 0.08 -0.76 -0.07 -0.57 0.00 0.00 179.45 177.99 1gpu h LEU 236 N 0.00 0.00 -7.71 2.94 3.38 -1.15 -3.37 115.31 109.40 1gpu h LEU 236 Ca -0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 1gpu h LEU 236 Cb 0.46 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.06 1gpu h LEU 236 CO 0.01 0.76 1.63 -1.54 0.09 0.00 0.00 178.44 179.40 1gpu n SER 237 N -3.51 5.13 0.05 -0.43 3.41 -1.11 -4.79 113.62 112.37 1gpu n SER 237 Ca -0.00 -2.96 0.10 0.00 -0.26 0.00 0.00 58.87 55.74 1gpu n SER 237 Cb 0.77 -1.62 0.40 0.00 -0.26 0.00 0.00 64.21 63.50 1gpu n SER 237 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1gpu n LYS 238 N 6.37 0.08 -0.14 4.33 5.02 -1.26 -2.95 118.16 129.61 1gpu n LYS 238 Ca 0.41 0.29 0.11 0.00 -2.02 0.00 0.00 58.31 57.09 1gpu n LYS 238 Cb 0.43 -1.64 0.18 0.00 -0.02 0.00 0.00 35.03 33.98 1gpu n LYS 238 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1gpu n ASP 239 N -1.79 3.26 -3.75 4.39 5.75 -1.26 -3.28 116.55 119.86 1gpu n ASP 239 Ca 0.03 -1.96 -0.12 0.00 -0.01 0.00 0.00 54.79 52.73 1gpu n ASP 239 Cb 0.22 -0.19 -0.12 0.00 -1.03 0.00 0.00 41.12 40.00 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 -1.52 0.29 0.66 0.11 1.02 -1.15 -4.59 119.74 114.57 1gpu s LYS 240 Ca 0.34 0.48 -0.15 0.00 0.02 0.00 0.00 55.97 56.66 1gpu s LYS 240 Cb 0.21 0.05 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 1gpu s LYS 240 CO 0.29 -0.09 1.12 -1.25 -0.92 0.00 0.00 175.35 174.51 1gpu s PRO 241 N 0.64 2.73 -0.03 -1.68 0.04 -1.18 -4.11 135.00 131.41 1gpu s PRO 241 Ca -0.04 1.46 0.07 0.00 0.04 0.00 0.00 61.00 62.52 1gpu s PRO 241 Cb -0.05 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1gpu s PRO 241 CO -0.04 -1.32 -0.24 0.99 0.04 0.00 0.00 177.00 176.44 1gpu s THR 242 N -2.26 1.88 -0.12 1.26 2.01 -0.76 -1.23 115.64 116.42 1gpu s THR 242 Ca 0.68 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.69 1gpu s THR 242 Cb -0.22 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 1gpu s THR 242 CO 0.41 0.53 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.48 1gpu s LEU 243 N -0.47 2.44 -0.35 4.42 2.96 -0.07 -0.68 118.68 126.94 1gpu s LEU 243 Ca 0.07 -0.44 -0.06 0.00 -0.22 0.00 0.00 54.13 53.47 1gpu s LEU 243 Cb -0.10 -1.53 0.05 0.00 0.50 0.00 0.00 46.19 45.11 1gpu s LEU 243 CO -0.00 0.15 0.12 -0.63 -1.32 0.00 0.00 176.35 174.67 1gpu s ILE 244 N 0.43 3.77 -0.82 6.68 1.01 0.79 -0.68 121.20 132.38 1gpu s ILE 244 Ca -0.13 -1.21 -0.25 0.00 0.00 0.00 0.00 60.65 59.06 1gpu s ILE 244 Cb -0.17 -3.17 0.04 0.00 0.01 0.00 0.00 42.46 39.18 1gpu s ILE 244 CO 0.06 -0.23 1.30 -0.75 0.00 0.00 0.00 174.94 175.32 1gpu s LYS 245 N 1.39 3.31 -0.37 2.79 2.20 0.06 -0.75 119.74 128.36 1gpu s LYS 245 Ca -0.01 -0.59 -0.12 0.00 -0.36 0.00 0.00 55.97 54.90 1gpu s LYS 245 Cb -0.20 -4.54 0.02 0.00 -1.51 0.00 0.00 37.83 31.60 1gpu s LYS 245 CO 0.02 -2.13 0.22 1.41 -0.36 0.00 0.00 175.35 174.52 1gpu s MET 246 N 5.29 2.98 0.00 4.03 -2.45 -0.53 -1.86 119.30 126.76 1gpu s MET 246 Ca 0.37 -0.98 -0.30 0.00 -1.25 0.00 0.00 55.69 53.53 1gpu s MET 246 Cb -0.06 -3.77 -0.04 0.00 1.25 0.00 0.00 34.83 32.21 1gpu s MET 246 CO 0.07 -0.65 1.06 0.99 1.05 0.00 0.00 175.02 177.53 1gpu s THR 247 N 1.60 4.59 0.21 10.11 2.01 -0.62 -0.70 115.64 132.85 1gpu s THR 247 Ca 0.03 1.86 -0.00 0.00 0.31 0.00 0.00 61.69 63.90 1gpu s THR 247 Cb -0.19 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 1gpu s THR 247 CO 0.08 0.12 0.14 0.42 -0.69 0.00 0.00 174.62 174.69 1gpu s THR 248 N 1.20 0.03 -0.29 -0.82 -4.23 -0.84 -0.38 115.64 110.31 1gpu s THR 248 Ca 0.54 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 1gpu s THR 248 Cb -0.23 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.11 1gpu s THR 248 CO 0.27 0.00 0.08 -0.89 -0.54 0.00 0.00 174.62 173.54 1gpu s THR 249 N -4.08 4.00 0.27 3.99 2.01 -1.26 -4.09 115.64 116.47 1gpu s THR 249 Ca 0.39 -0.65 -0.31 0.00 0.31 0.00 0.00 61.69 61.44 1gpu s THR 249 Cb 0.07 -3.04 -0.12 0.00 0.01 0.00 0.00 72.50 69.41 1gpu s THR 249 CO 0.13 0.10 1.53 0.00 -0.69 0.00 0.00 174.62 175.69 1gpu n ILE 250 N 4.87 0.95 -2.00 1.82 3.06 -1.26 -1.66 119.36 125.15 1gpu n ILE 250 Ca -0.15 -0.24 -0.13 0.00 -2.50 0.00 0.00 62.75 59.74 1gpu n ILE 250 Cb 0.48 -1.78 -0.02 0.00 0.54 0.00 0.00 39.64 38.87 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 2.23 0.27 3.62 4.50 0.00 -0.37 -0.02 105.19 115.43 1gpu n GLY 251 Ca 0.10 -0.37 -0.58 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.62 1.44 0.00 1.61 9.36 -0.66 -0.75 117.16 124.54 1gpu n TYR 252 Ca -0.15 0.82 0.00 0.00 3.32 0.00 0.00 57.90 61.89 1gpu n TYR 252 Cb 0.56 -2.28 0.00 0.00 -0.63 0.00 0.00 39.34 36.99 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 2.88 2.42 3.79 2.98 0.00 -1.26 -4.79 105.19 111.21 1gpu n GLY 253 Ca 0.23 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 0.12 5.40 0.53 1.61 0.15 0.07 -4.64 113.70 116.94 1gpu s SER 254 Ca 0.00 1.92 0.27 0.00 0.70 0.00 0.00 55.95 58.84 1gpu s SER 254 Cb 0.00 -2.54 1.49 0.00 -1.71 0.00 0.00 66.02 63.25 1gpu s SER 254 CO 0.00 -1.43 2.10 -0.07 1.20 0.00 0.00 173.24 175.04 1gpu h LEU 255 N 0.20 0.00 -3.49 3.45 3.38 -1.87 -2.46 115.31 114.52 1gpu h LEU 255 Ca -0.47 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.30 1gpu h LEU 255 Cb 1.23 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.86 1gpu h LEU 255 CO 0.56 0.10 0.11 1.41 0.09 0.00 0.00 178.44 180.71 1gpu n HIS 256 N -3.70 1.58 -1.74 1.13 8.25 -1.26 -5.02 115.22 114.45 1gpu n HIS 256 Ca -0.02 -1.45 -0.41 0.00 -0.26 0.00 0.00 57.72 55.59 1gpu n HIS 256 Cb 0.21 -0.56 0.01 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.88 1.84 -0.24 -1.41 0.00 -0.93 -1.98 120.51 116.92 1gpu n ALA 257 Ca 0.36 0.28 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1gpu n ALA 257 Cb 1.16 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 0.63 1.17 3.85 0.00 0.00 0.97 -4.95 105.19 106.86 1gpu n GLY 258 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.01 5.92 0.32 1.61 0.15 -0.84 -4.92 113.70 112.94 1gpu s SER 259 Ca 0.00 0.11 0.25 0.00 0.70 0.00 0.00 55.95 57.01 1gpu s SER 259 Cb 0.00 -1.70 1.10 0.00 -1.71 0.00 0.00 66.02 63.71 1gpu s SER 259 CO 0.00 0.16 1.76 1.12 1.20 0.00 0.00 173.24 177.48 1gpu h HIS 260 N 3.07 0.00 0.00 3.44 2.07 -1.87 -2.78 115.15 119.08 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 31.14 1gpu h HIS 260 CO 0.60 0.00 -0.06 0.66 -3.07 0.00 0.00 177.93 176.06 1gpu h SER 261 N 0.00 0.00 -0.32 3.10 4.64 -1.94 -2.36 113.55 116.67 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 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1gpu h SER 261 CO 0.00 0.06 0.00 1.33 -0.87 0.00 0.00 176.83 177.35 1gpu n VAL 262 N -3.27 0.41 0.14 0.95 0.24 -1.05 -4.38 118.33 111.38 1gpu n VAL 262 Ca -0.01 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.34 61.60 1gpu n VAL 262 Cb 0.26 0.58 -0.08 0.00 -1.47 0.00 0.00 33.84 33.12 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 3.15 -0.33 -0.89 6.34 -0.00 -1.59 0.51 115.15 122.35 1gpu h HIS 263 Ca 0.00 -0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 60.02 1gpu h HIS 263 Cb 0.70 0.11 -0.39 0.00 -0.00 0.00 0.00 27.41 27.83 1gpu h HIS 263 CO 0.21 -0.01 -1.16 0.41 -0.00 0.00 0.00 177.93 177.38 1gpu n GLY 264 N -0.37 1.55 3.16 5.26 0.00 -1.26 -4.02 105.19 109.50 1gpu n GLY 264 Ca -0.09 -1.22 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.12 -0.69 0.56 4.61 0.00 -1.00 -4.60 121.76 117.52 1gpu s ALA 265 Ca 0.27 0.80 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 1gpu s ALA 265 Cb 0.44 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 1gpu s ALA 265 CO 0.02 -0.14 1.37 -1.25 0.00 0.00 0.00 175.76 175.76 1gpu s PRO 266 N 0.20 3.07 0.51 0.00 0.04 -1.25 -4.46 135.00 133.10 1gpu s PRO 266 Ca -0.00 2.25 -0.21 0.00 0.04 0.00 0.00 61.00 63.08 1gpu s PRO 266 Cb -0.02 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1gpu s PRO 266 CO -0.00 -1.25 1.15 -0.51 0.04 0.00 0.00 177.00 176.43 1gpu s LEU 267 N -3.61 3.87 0.70 -3.56 1.43 -1.26 -4.99 118.68 111.26 1gpu s LEU 267 Ca 0.73 2.26 -0.15 0.00 -1.03 0.00 0.00 54.13 55.94 1gpu s LEU 267 Cb -0.41 -4.42 0.02 0.00 0.03 0.00 0.00 46.19 41.41 1gpu s LEU 267 CO 0.48 -1.10 1.15 -0.54 0.23 0.00 0.00 176.35 176.57 1gpu s LYS 268 N -3.00 2.48 0.18 1.70 3.01 -1.26 -4.78 119.74 118.07 1gpu s LYS 268 Ca 0.69 1.53 -0.19 0.00 -1.01 0.00 0.00 55.97 56.98 1gpu s LYS 268 Cb -0.27 -1.90 0.12 0.00 -1.01 0.00 0.00 37.83 34.78 1gpu s LYS 268 CO 0.31 -1.52 1.62 0.00 0.51 0.00 0.00 175.35 176.27 1gpu h ALA 269 N -0.18 0.10 0.00 5.17 0.00 -2.00 -0.52 119.26 121.84 1gpu h ALA 269 Ca -0.47 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1gpu h ALA 269 Cb 1.26 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.59 1gpu h ALA 269 CO 0.52 -0.57 -0.20 -0.44 0.00 0.00 0.00 179.25 178.56 1gpu h ASP 270 N -0.13 0.00 -0.30 0.00 3.32 -1.99 -1.35 116.42 115.96 1gpu h ASP 270 Ca 0.22 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 1gpu h ASP 270 Cb 0.46 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1gpu h ASP 270 CO -0.54 0.20 -0.30 -0.78 -1.72 0.00 0.00 179.24 176.10 1gpu h ASP 271 N 0.00 0.79 -0.80 6.45 3.58 -1.50 -2.28 116.42 122.66 1gpu h ASP 271 Ca -0.00 -0.47 -0.04 0.00 0.42 0.00 0.00 57.03 56.94 1gpu h ASP 271 Cb 0.45 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.24 1gpu h ASP 271 CO 0.03 1.09 0.34 0.58 -2.88 0.00 0.00 179.24 178.40 1gpu h VAL 272 N 0.49 1.26 0.10 2.25 2.07 -0.62 -1.56 116.25 120.24 1gpu h VAL 272 Ca 0.05 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1gpu h VAL 272 Cb 0.87 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1gpu h VAL 272 CO 0.07 0.33 -0.05 0.11 0.02 0.00 0.00 177.57 178.05 1gpu h LYS 273 N 1.16 -0.13 0.00 1.57 1.57 -1.12 -1.47 116.57 118.15 1gpu h LYS 273 Ca 0.27 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1gpu h LYS 273 Cb 0.19 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1gpu h LYS 273 CO -0.03 -0.03 -0.23 -0.56 -0.57 0.00 0.00 179.45 178.04 1gpu h GLN 274 N -0.20 0.00 -0.20 3.15 -0.00 -1.30 -1.31 115.11 115.25 1gpu h GLN 274 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 1gpu h GLN 274 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.64 1gpu h GLN 274 CO 0.02 0.23 0.03 1.25 -0.00 0.00 0.00 178.83 180.36 1gpu h LEU 275 N 0.00 0.32 -0.00 0.06 5.85 -0.92 -0.44 115.31 120.18 1gpu h LEU 275 Ca -0.00 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1gpu h LEU 275 Cb 0.43 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1gpu h LEU 275 CO 0.03 0.50 0.00 0.11 -0.34 0.00 0.00 178.44 178.74 1gpu h LYS 276 N 0.12 0.00 -0.63 1.25 1.57 -0.82 -2.23 116.57 115.84 1gpu h LYS 276 Ca 0.06 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1gpu h LYS 276 Cb 0.32 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1gpu h LYS 276 CO 0.00 0.15 0.33 0.77 -0.57 0.00 0.00 179.45 180.13 1gpu h SER 277 N -0.14 0.46 -0.95 0.86 0.02 -1.22 0.30 113.55 112.87 1gpu h SER 277 Ca 0.00 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.11 1gpu h SER 277 Cb 0.15 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.55 1gpu h SER 277 CO -0.00 0.30 0.58 0.50 -1.14 0.00 0.00 176.83 177.07 1gpu h LYS 278 N 0.60 0.87 -0.32 3.45 3.64 -0.86 -0.18 116.57 123.78 1gpu h LYS 278 Ca 0.29 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1gpu h LYS 278 Cb 0.22 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1gpu h LYS 278 CO -0.20 0.58 0.00 1.19 -2.27 0.00 0.00 179.45 178.75 1gpu n PHE 279 N -4.68 0.42 -1.14 1.91 3.72 -0.51 -4.91 117.46 112.27 1gpu n PHE 279 Ca 0.18 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1gpu n PHE 279 Cb 0.37 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 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 1.11 0.38 3.85 1.37 0.00 -0.08 -5.04 105.19 106.78 1gpu n GLY 280 Ca 0.14 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.00 3.13 -0.22 1.61 0.40 0.93 -4.98 117.98 116.86 1gpu s PHE 281 Ca 0.00 -0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 55.92 1gpu s PHE 281 Cb 0.00 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 1gpu s PHE 281 CO 0.00 0.47 1.30 1.21 0.70 0.00 0.00 175.22 178.90 1gpu s ASN 282 N -3.88 6.80 0.10 1.36 3.84 -1.26 -3.29 114.94 118.61 1gpu s ASN 282 Ca 0.34 1.51 0.11 0.00 0.21 0.00 0.00 52.86 55.03 1gpu s ASN 282 Cb -0.08 -2.54 0.52 0.00 -0.55 0.00 0.00 41.25 38.61 1gpu s ASN 282 CO 0.26 -0.91 1.35 -0.81 -2.79 0.00 0.00 177.10 174.19 1gpu n PRO 283 N 6.95 0.05 -0.29 0.43 -0.04 -1.26 -2.17 135.00 138.67 1gpu n PRO 283 Ca 0.15 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.15 1gpu n PRO 283 Cb 0.45 -1.64 0.25 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.75 3.53 -4.35 3.54 8.00 -1.26 -4.70 116.55 119.56 1gpu n ASP 284 Ca 0.01 -2.00 -0.27 0.00 0.71 0.00 0.00 54.79 53.24 1gpu n ASP 284 Cb 0.08 -0.38 -0.13 0.00 -0.02 0.00 0.00 41.12 40.67 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 -1.01 1.30 0.12 -1.24 1.02 -0.92 -5.15 119.74 113.86 1gpu s LYS 285 Ca 0.38 -1.29 0.04 0.00 0.02 0.00 0.00 55.97 55.12 1gpu s LYS 285 Cb 0.20 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 1gpu s LYS 285 CO 0.26 0.40 -0.10 -1.12 -0.92 0.00 0.00 175.35 173.87 1gpu s SER 286 N -2.05 1.60 -1.30 2.83 0.01 -1.26 -4.85 113.70 108.68 1gpu s SER 286 Ca 0.12 -0.92 -0.00 0.00 1.31 0.00 0.00 55.95 56.46 1gpu s SER 286 Cb -0.10 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1gpu s SER 286 CO 0.06 -0.30 0.73 0.49 0.41 0.00 0.00 173.24 174.62 1gpu n PHE 287 N 0.17 -1.94 -3.61 2.43 3.72 -1.26 -4.96 117.46 112.01 1gpu n PHE 287 Ca -0.13 0.85 -0.37 0.00 -0.05 0.00 0.00 57.45 57.75 1gpu n PHE 287 Cb 0.59 -4.47 -0.09 0.00 -0.94 0.00 0.00 39.48 34.58 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 -3.64 5.33 -0.28 -4.37 1.01 -1.26 -5.06 120.40 112.13 1gpu s VAL 288 Ca 0.00 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.29 1gpu s VAL 288 Cb -0.00 -3.55 0.08 0.00 0.00 0.00 0.00 36.38 32.91 1gpu s VAL 288 CO 0.80 0.34 0.00 -0.69 0.00 0.00 0.00 175.10 175.55 1gpu s VAL 289 N 1.01 1.69 0.34 2.92 1.01 -1.26 -4.88 120.40 121.24 1gpu s VAL 289 Ca 0.10 -1.64 -0.28 0.00 0.00 0.00 0.00 61.98 60.16 1gpu s VAL 289 Cb -0.13 -2.09 -0.12 0.00 0.00 0.00 0.00 36.38 34.03 1gpu s VAL 289 CO 0.04 -0.36 1.33 -2.65 0.00 0.00 0.00 175.10 173.46 1gpu n PRO 290 N 4.55 2.22 -0.23 2.72 -0.02 -1.26 -4.86 135.00 138.12 1gpu n PRO 290 Ca -0.05 0.78 0.09 0.00 -2.02 0.00 0.00 63.50 62.29 1gpu n PRO 290 Cb 0.43 -2.39 0.36 0.00 -0.02 0.00 0.00 33.50 31.88 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 2.68 0.72 -0.18 -0.52 5.75 -2.01 -0.42 115.11 121.14 1gpu h GLN 291 Ca -0.47 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.04 1gpu h GLN 291 Cb 1.28 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 1gpu h GLN 291 CO 0.63 0.48 0.14 0.93 -2.65 0.00 0.00 178.83 178.36 1gpu h GLU 292 N 0.74 0.00 -0.05 1.69 3.07 -1.99 -0.53 114.58 117.51 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 0.47 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1gpu h GLU 292 CO -0.15 0.00 -0.40 0.28 -1.40 0.00 0.00 179.01 177.34 1gpu h VAL 293 N 0.00 1.43 -0.48 3.13 2.07 -1.42 -0.66 116.25 120.32 1gpu h VAL 293 Ca 0.08 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1gpu h VAL 293 Cb 0.37 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1gpu h VAL 293 CO -0.00 0.53 0.25 1.88 0.02 0.00 0.00 177.57 180.25 1gpu h TYR 294 N -0.15 0.68 -0.60 1.57 0.05 -1.33 -1.50 116.97 115.69 1gpu h TYR 294 Ca -0.04 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.74 1gpu h TYR 294 Cb 1.07 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.57 1gpu h TYR 294 CO 0.14 0.52 0.38 -0.44 -1.05 0.00 0.00 178.16 177.71 1gpu h ASP 295 N 0.64 0.63 -0.14 3.88 3.32 -1.13 0.36 116.42 123.98 1gpu h ASP 295 Ca 0.17 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1gpu h ASP 295 Cb 0.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1gpu h ASP 295 CO -0.02 0.45 0.06 -0.74 -1.72 0.00 0.00 179.24 177.27 1gpu h HIS 296 N 0.76 0.12 -0.05 4.55 2.76 -0.70 -1.56 115.15 121.03 1gpu h HIS 296 Ca 0.23 0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.30 1gpu h HIS 296 Cb -0.03 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1gpu h HIS 296 CO -0.05 0.07 -0.47 1.88 -1.30 0.00 0.00 177.93 178.06 1gpu h TYR 297 N 0.14 0.14 -0.51 5.26 0.05 -1.06 0.58 116.97 121.58 1gpu h TYR 297 Ca 0.06 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1gpu h TYR 297 Cb 0.01 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 1gpu h TYR 297 CO -0.09 0.57 0.34 0.37 -1.05 0.00 0.00 178.16 178.29 1gpu h GLN 298 N 0.10 0.68 0.01 4.88 5.75 -0.56 0.80 115.11 126.77 1gpu h GLN 298 Ca 0.00 -0.04 -0.25 0.00 -0.15 0.00 0.00 58.65 58.21 1gpu h GLN 298 Cb 0.87 -0.15 0.01 0.00 1.07 0.00 0.00 27.48 29.28 1gpu h GLN 298 CO 0.07 0.45 -1.02 -0.22 -2.65 0.00 0.00 178.83 175.46 1gpu h LYS 299 N 0.69 0.56 0.00 1.69 3.64 -0.97 -0.67 116.57 121.52 1gpu h LYS 299 Ca 0.19 -0.62 -0.06 0.00 -1.27 0.00 0.00 60.65 58.89 1gpu h LYS 299 Cb -0.07 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1gpu h LYS 299 CO -0.04 1.23 -1.47 0.25 -2.27 0.00 0.00 179.45 177.15 1gpu n THR 300 N -3.80 0.60 0.05 1.00 -2.24 0.17 -4.45 114.28 105.61 1gpu n THR 300 Ca -0.09 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1gpu n THR 300 Cb 0.87 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.60 0.80 0.39 2.28 5.41 0.17 -4.76 119.36 121.04 1gpu n ILE 301 Ca -0.05 0.26 -0.15 0.00 1.00 0.00 0.00 62.75 63.81 1gpu n ILE 301 Cb 0.65 -1.43 -0.07 0.00 -0.71 0.00 0.00 39.64 38.09 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 -0.84 -0.69 1.39 5.85 -1.34 0.15 115.31 119.84 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 0.22 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1gpu h LEU 302 CO 0.00 -0.56 0.45 0.11 -0.34 0.00 0.00 178.44 178.10 1gpu h LYS 303 N -1.06 0.89 -0.26 1.25 1.57 -1.36 0.67 116.57 118.27 1gpu h LYS 303 Ca -0.10 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1gpu h LYS 303 Cb 0.76 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1gpu h LYS 303 CO 0.17 0.59 -0.10 -1.35 -0.57 0.00 0.00 179.45 178.19 1gpu h PRO 304 N 0.92 0.43 -0.30 3.15 0.11 -1.77 -1.60 132.00 132.93 1gpu h PRO 304 Ca 0.26 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 66.16 1gpu h PRO 304 Cb -0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1gpu h PRO 304 CO -0.07 0.54 -0.19 0.78 -0.21 0.00 0.00 178.00 178.85 1gpu h GLY 305 N 0.86 0.72 1.01 -0.55 0.00 -0.16 -0.78 103.07 104.17 1gpu h GLY 305 Ca 0.08 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1gpu h GLY 305 CO 0.02 0.61 0.53 -2.08 0.00 0.00 0.00 176.54 175.62 1gpu h VAL 306 N 0.41 1.23 -0.22 4.60 2.07 -0.63 -1.02 116.25 122.69 1gpu h VAL 306 Ca 0.06 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 1gpu h VAL 306 Cb 0.73 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1gpu h VAL 306 CO 0.05 0.23 -0.43 -0.08 0.02 0.00 0.00 177.57 177.36 1gpu h GLU 307 N 1.15 0.53 -0.51 1.57 4.57 -1.18 -0.61 114.58 120.10 1gpu h GLU 307 Ca 0.30 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 1gpu h GLU 307 Cb -0.07 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 1gpu h GLU 307 CO -0.06 0.86 0.04 0.00 -1.18 0.00 0.00 179.01 178.67 1gpu h ALA 308 N 1.10 0.68 -0.55 2.92 0.00 -0.71 0.11 119.26 122.82 1gpu h ALA 308 Ca 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1gpu h ALA 308 Cb 0.93 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1gpu h ALA 308 CO 0.08 0.46 0.05 -0.97 0.00 0.00 0.00 179.25 178.87 1gpu h ASN 309 N 0.75 0.86 -0.04 0.00 -0.73 -1.03 -0.91 115.58 114.48 1gpu h ASN 309 Ca 0.15 -0.20 -0.00 0.00 1.87 0.00 0.00 56.30 58.12 1gpu h ASN 309 Cb 0.47 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1gpu h ASN 309 CO 0.02 0.89 0.02 -1.13 -0.37 0.00 0.00 177.43 176.86 1gpu h ASN 310 N 0.85 0.05 -0.85 1.15 -1.24 -0.71 -0.75 115.58 114.08 1gpu h ASN 310 Ca 0.17 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1gpu h ASN 310 Cb 0.43 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.42 1gpu h ASN 310 CO 0.01 0.17 0.54 0.11 -1.29 0.00 0.00 177.43 176.98 1gpu h LYS 311 N -0.07 1.13 -0.45 6.67 1.57 -0.74 -1.84 116.57 122.83 1gpu h LYS 311 Ca 0.01 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1gpu h LYS 311 Cb 0.14 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1gpu h LYS 311 CO -0.00 0.77 0.10 2.35 -0.57 0.00 0.00 179.45 182.10 1gpu h TRP 312 N 1.16 0.77 -0.66 -1.35 7.01 -0.86 -0.35 115.95 121.67 1gpu h TRP 312 Ca 0.31 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 1gpu h TRP 312 Cb -0.10 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.71 1gpu h TRP 312 CO 0.00 0.71 0.37 -0.91 -2.79 0.00 0.00 178.44 175.83 1gpu h ASN 313 N 0.61 0.80 -0.29 2.65 2.35 -0.65 0.11 115.58 121.16 1gpu h ASN 313 Ca 0.14 -0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1gpu h ASN 313 Cb 0.34 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1gpu h ASN 313 CO 0.00 0.64 -0.03 0.50 -1.65 0.00 0.00 177.43 176.89 1gpu h LYS 314 N 0.91 0.53 -0.77 0.81 3.64 -0.97 -0.95 116.57 119.79 1gpu h LYS 314 Ca 0.24 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1gpu h LYS 314 Cb 0.00 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1gpu h LYS 314 CO -0.04 0.70 0.39 1.25 -2.27 0.00 0.00 179.45 179.49 1gpu h LEU 315 N 0.31 0.98 -0.65 5.20 5.85 -0.35 -2.29 115.31 124.36 1gpu h LEU 315 Ca 0.08 -0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 1gpu h LEU 315 Cb 0.48 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1gpu h LEU 315 CO 0.02 0.82 -0.33 0.15 -0.34 0.00 0.00 178.44 178.77 1gpu h PHE 316 N 1.07 0.81 -0.48 1.25 3.57 -0.68 -1.07 116.94 121.41 1gpu h PHE 316 Ca 0.27 -0.22 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1gpu h PHE 316 Cb 0.08 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1gpu h PHE 316 CO 0.01 0.93 0.29 1.03 -2.23 0.00 0.00 178.31 178.34 1gpu h SER 317 N 0.59 0.48 -0.16 0.41 0.87 -0.84 -0.91 113.55 114.00 1gpu h SER 317 Ca 0.06 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.52 1gpu h SER 317 Cb 0.84 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 1gpu h SER 317 CO 0.07 0.34 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.38 1gpu h GLU 318 N 0.59 0.61 -0.80 2.24 4.57 -1.28 -2.94 114.58 117.58 1gpu h GLU 318 Ca 0.19 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1gpu h GLU 318 Cb 0.00 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1gpu h GLU 318 CO -0.08 0.81 0.47 -0.92 -1.18 0.00 0.00 179.01 178.12 1gpu h TYR 319 N 0.54 1.06 0.00 0.92 5.03 -0.39 -0.04 116.97 124.09 1gpu h TYR 319 Ca 0.07 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.35 1gpu h TYR 319 Cb 0.72 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.65 1gpu h TYR 319 CO 0.03 0.71 -0.15 1.96 -1.32 0.00 0.00 178.16 179.39 1gpu h GLN 320 N 1.09 0.00 0.20 1.82 4.20 -1.02 0.72 115.11 122.13 1gpu h GLN 320 Ca 0.29 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.67 1gpu h GLN 320 Cb -0.03 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.77 1gpu h GLN 320 CO -0.05 0.15 -1.50 0.87 -0.67 0.00 0.00 178.83 177.62 1gpu h LYS 321 N 0.00 0.43 -0.19 1.46 1.57 -1.27 -3.03 116.57 115.54 1gpu h LYS 321 Ca -0.00 -0.74 -0.17 0.00 -1.87 0.00 0.00 60.65 57.87 1gpu h LYS 321 Cb 0.41 0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1gpu h LYS 321 CO 0.02 1.34 -0.53 0.87 -0.57 0.00 0.00 179.45 180.58 1gpu h LYS 322 N 0.12 0.69 -2.85 3.15 1.79 -0.39 -3.38 116.57 115.70 1gpu h LYS 322 Ca -0.25 -0.49 -0.61 0.00 -2.18 0.00 0.00 60.65 57.11 1gpu h LYS 322 Cb 2.11 0.08 -0.41 0.00 -1.58 0.00 0.00 32.23 32.43 1gpu h LYS 322 CO 0.23 1.11 -0.71 -0.06 -1.08 0.00 0.00 179.45 178.95 1gpu s PHE 323 N -3.93 2.72 0.19 -1.35 0.08 0.24 -4.99 117.98 110.95 1gpu s PHE 323 Ca -0.12 -2.99 -0.14 0.00 0.12 0.00 0.00 56.93 53.80 1gpu s PHE 323 Cb 0.08 -2.11 0.19 0.00 -0.57 0.00 0.00 43.02 40.61 1gpu s PHE 323 CO 0.86 -0.64 1.65 -1.35 -0.10 0.00 0.00 175.22 175.63 1gpu h PRO 324 N 5.52 0.02 0.69 0.24 0.11 -1.72 0.56 132.00 137.42 1gpu h PRO 324 Ca 0.18 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 1gpu h PRO 324 Cb 0.81 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.92 1gpu h PRO 324 CO 0.60 0.02 -0.33 0.93 -0.21 0.00 0.00 178.00 179.00 1gpu h GLU 325 N 0.02 -0.90 -0.52 1.05 5.08 -1.94 -0.24 114.58 117.14 1gpu h GLU 325 Ca 0.26 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1gpu h GLU 325 Cb 0.41 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1gpu h GLU 325 CO -0.53 -0.59 0.24 -0.07 -1.00 0.00 0.00 179.01 177.06 1gpu h LEU 326 N -1.23 0.66 -0.37 1.33 3.38 -1.95 -0.48 115.31 116.64 1gpu h LEU 326 Ca -0.10 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1gpu h LEU 326 Cb 0.72 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1gpu h LEU 326 CO 0.16 0.57 0.06 1.23 0.09 0.00 0.00 178.44 180.54 1gpu h GLY 327 N 0.84 0.66 1.32 0.83 0.00 0.12 -1.04 103.07 105.81 1gpu h GLY 327 Ca 0.18 -0.44 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1gpu h GLY 327 CO -0.02 0.41 -0.11 0.00 0.00 0.00 0.00 176.54 176.82 1gpu h ALA 328 N 0.91 0.97 0.32 3.60 0.00 -0.65 -0.27 119.26 124.14 1gpu h ALA 328 Ca 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1gpu h ALA 328 Cb 0.36 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1gpu h ALA 328 CO 0.01 0.61 -0.16 1.49 0.00 0.00 0.00 179.25 181.19 1gpu h GLU 329 N 0.72 -0.43 -0.70 0.00 4.81 -0.86 0.71 114.58 118.82 1gpu h GLU 329 Ca 0.12 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1gpu h GLU 329 Cb 0.60 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1gpu h GLU 329 CO 0.04 -0.29 0.15 1.25 -0.73 0.00 0.00 179.01 179.43 1gpu h LEU 330 N -0.45 1.08 -0.64 1.64 5.85 -1.11 -1.52 115.31 120.17 1gpu h LEU 330 Ca -0.04 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1gpu h LEU 330 Cb 0.35 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1gpu h LEU 330 CO 0.06 1.05 0.40 0.00 -0.34 0.00 0.00 178.44 179.62 1gpu h ALA 331 N 1.08 0.83 -0.04 1.25 0.00 -0.82 0.13 119.26 121.70 1gpu h ALA 331 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1gpu h ALA 331 Cb 0.40 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1gpu h ALA 331 CO 0.01 0.17 0.02 -0.09 0.00 0.00 0.00 179.25 179.36 1gpu h ARG 332 N 0.80 0.05 -0.71 0.00 2.43 -0.48 -1.90 114.38 114.58 1gpu h ARG 332 Ca 0.25 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1gpu h ARG 332 Cb -0.01 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1gpu h ARG 332 CO -0.09 0.03 0.42 0.00 -1.51 0.00 0.00 179.97 178.82 1gpu h ARG 333 N 0.05 0.77 0.00 0.20 3.08 -0.69 -0.96 114.38 116.83 1gpu h ARG 333 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1gpu h ARG 333 Cb -0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1gpu h ARG 333 CO -0.01 0.51 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.21 1gpu h LEU 334 N 0.79 0.00 -0.02 3.04 3.38 -0.49 -0.46 115.31 121.56 1gpu h LEU 334 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1gpu h LEU 334 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1gpu h LEU 334 CO -0.15 0.12 -0.02 -1.54 0.09 0.00 0.00 178.44 176.94 1gpu n SER 335 N -3.57 0.05 -0.82 -0.43 3.41 -0.38 -4.91 113.62 106.96 1gpu n SER 335 Ca -0.02 -0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.52 1gpu n SER 335 Cb 0.26 -0.32 -0.01 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.35 0.20 3.28 5.00 0.00 -0.19 -5.04 105.19 109.79 1gpu n GLY 336 Ca 0.12 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -4.10 1.78 0.80 1.61 -0.21 -1.19 -5.01 119.66 113.34 1gpu s GLN 337 Ca 0.00 -0.90 -0.12 0.00 0.02 0.00 0.00 55.36 54.36 1gpu s GLN 337 Cb 0.00 -1.79 0.07 0.00 1.00 0.00 0.00 33.01 32.29 1gpu s GLN 337 CO 0.00 0.48 1.15 -0.51 -2.12 0.00 0.00 175.29 174.29 1gpu s LEU 338 N -0.79 2.53 0.47 2.90 1.43 -1.26 -4.44 118.68 119.51 1gpu s LEU 338 Ca 0.09 0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 53.85 1gpu s LEU 338 Cb -0.09 -3.44 -0.07 0.00 0.03 0.00 0.00 46.19 42.62 1gpu s LEU 338 CO 0.00 -1.88 1.38 -2.84 0.23 0.00 0.00 176.35 173.25 1gpu s PRO 339 N -5.48 3.60 0.19 1.29 0.02 -1.26 -4.90 135.00 128.46 1gpu s PRO 339 Ca 0.61 2.31 -0.32 0.00 0.02 0.00 0.00 61.00 63.62 1gpu s PRO 339 Cb -0.12 -2.56 -0.12 0.00 0.02 0.00 0.00 34.50 31.72 1gpu s PRO 339 CO 0.50 -0.85 1.73 0.00 -0.33 0.00 0.00 177.00 178.05 1gpu n ALA 340 N -0.36 2.54 -2.19 -1.55 0.00 -1.26 -1.80 120.51 115.89 1gpu n ALA 340 Ca 0.06 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 1gpu n ALA 340 Cb 0.43 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.34 1gpu n ALA 340 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1gpu n ASN 341 N 4.21 -5.76 0.11 0.00 4.05 -1.26 -4.87 115.26 111.74 1gpu n ASN 341 Ca 0.17 0.11 0.08 0.00 0.45 0.00 0.00 54.58 55.39 1gpu n ASN 341 Cb 0.34 -4.85 0.55 0.00 1.23 0.00 0.00 39.78 37.06 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 0.22 0.00 1.20 5.08 -1.72 -1.49 115.95 119.25 1gpu h TRP 342 Ca -0.47 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.50 1gpu h TRP 342 Cb 1.36 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 27.44 1gpu h TRP 342 CO 0.56 0.13 0.00 1.05 -1.28 0.00 0.00 178.44 178.90 1gpu h GLU 343 N 0.24 0.00 0.00 0.12 9.09 -1.89 -2.03 114.58 120.11 1gpu h GLU 343 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 1gpu h GLU 343 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.21 1gpu h GLU 343 CO -0.02 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.70 1gpu h SER 344 N 0.00 0.00 0.16 3.06 4.64 -1.66 -1.14 113.55 118.61 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 -0.21 0.29 -0.87 0.00 0.00 176.83 176.04 1gpu n LYS 345 N -2.59 1.07 -2.31 4.77 5.02 -0.76 -4.90 118.16 118.45 1gpu n LYS 345 Ca -0.01 -0.65 -0.41 0.00 -2.02 0.00 0.00 58.31 55.21 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 -2.38 4.41 0.48 -0.35 1.43 -0.44 -4.73 118.68 117.10 1gpu s LEU 346 Ca 0.27 2.25 -0.24 0.00 -1.03 0.00 0.00 54.13 55.38 1gpu s LEU 346 Cb 0.20 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.74 1gpu s LEU 346 CO 0.48 -0.47 1.39 -2.84 0.23 0.00 0.00 176.35 175.13 1gpu s PRO 347 N 0.23 3.53 0.10 1.29 0.02 -1.26 -5.04 135.00 133.87 1gpu s PRO 347 Ca 0.57 2.31 0.07 0.00 0.02 0.00 0.00 61.00 63.97 1gpu s PRO 347 Cb -0.34 -2.53 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 1gpu s PRO 347 CO 0.35 -0.90 -0.17 0.95 -0.33 0.00 0.00 177.00 176.89 1gpu s THR 348 N -1.25 1.45 0.22 0.99 -4.23 -1.26 -4.76 115.64 106.81 1gpu s THR 348 Ca 0.64 -1.50 -0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1gpu s THR 348 Cb -0.42 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 1gpu s THR 348 CO 0.52 -0.18 0.11 -0.31 -0.54 0.00 0.00 174.62 174.22 1gpu s TYR 349 N -1.38 1.32 0.18 3.99 1.51 -1.26 -5.00 117.35 116.71 1gpu s TYR 349 Ca 0.04 -1.29 0.00 0.00 -1.01 0.00 0.00 57.07 54.82 1gpu s TYR 349 Cb -0.09 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.01 1gpu s TYR 349 CO 0.04 -0.50 0.06 0.95 -1.11 0.00 0.00 175.55 174.98 1gpu s THR 350 N -3.98 0.38 -0.19 -0.71 -4.23 -1.26 -4.87 115.64 100.77 1gpu s THR 350 Ca 0.38 -1.97 0.20 0.00 -1.18 0.00 0.00 61.69 59.12 1gpu s THR 350 Cb 0.07 -2.27 0.20 0.00 1.34 0.00 0.00 72.50 71.84 1gpu s THR 350 CO 0.12 -0.30 1.59 0.00 -0.54 0.00 0.00 174.62 175.50 1gpu n ALA 351 N -0.25 0.98 0.18 3.99 0.00 -1.26 -1.25 120.51 122.90 1gpu n ALA 351 Ca -0.03 0.18 0.08 0.00 0.00 0.00 0.00 53.44 53.67 1gpu n ALA 351 Cb 0.64 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.96 1gpu n ALA 351 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1gpu h LYS 352 N 0.00 0.00 -7.21 0.00 1.57 -1.95 -3.45 116.57 105.53 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 0.09 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.50 1gpu h LYS 352 CO 0.00 0.19 0.37 -0.51 -0.57 0.00 0.00 179.45 178.93 1gpu s ASP 353 N -6.23 5.02 0.95 0.86 1.01 -0.38 -5.01 116.67 112.90 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 0.06 -2.55 0.16 0.00 1.01 0.00 0.00 42.92 41.61 1gpu s ASP 353 CO 0.71 -1.69 1.09 -0.44 0.21 0.00 0.00 175.17 175.05 1gpu s SER 354 N -2.63 2.95 0.28 0.27 0.01 -1.26 -4.44 113.70 108.87 1gpu s SER 354 Ca 0.67 1.46 -0.28 0.00 1.31 0.00 0.00 55.95 59.10 1gpu s SER 354 Cb -0.20 -2.13 -0.09 0.00 0.21 0.00 0.00 66.02 63.80 1gpu s SER 354 CO 0.43 -2.97 0.99 0.00 0.41 0.00 0.00 173.24 172.10 1gpu s ALA 355 N -2.87 3.30 0.00 1.44 0.00 -1.26 -4.41 121.76 117.96 1gpu s ALA 355 Ca 0.65 0.67 -0.05 0.00 0.00 0.00 0.00 51.96 53.22 1gpu s ALA 355 Cb -0.19 -3.23 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1gpu s ALA 355 CO 0.58 0.08 0.10 0.08 0.00 0.00 0.00 175.76 176.61 1gpu s VAL 356 N -1.32 0.08 0.33 0.00 1.01 0.30 -4.75 120.40 116.05 1gpu s VAL 356 Ca 0.45 -0.66 -0.27 0.00 0.00 0.00 0.00 61.98 61.51 1gpu s VAL 356 Cb -0.25 -0.37 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 1gpu s VAL 356 CO 0.32 -0.36 1.06 0.00 0.00 0.00 0.00 175.10 176.11 1gpu s ALA 357 N -1.23 3.26 0.22 5.51 0.00 -1.26 -2.00 121.76 126.26 1gpu s ALA 357 Ca -0.13 0.77 0.35 0.00 0.00 0.00 0.00 51.96 52.95 1gpu s ALA 357 Cb -0.07 -3.29 1.75 0.00 0.00 0.00 0.00 23.12 21.51 1gpu s ALA 357 CO 0.01 -0.14 2.06 1.79 0.00 0.00 0.00 175.76 179.48 1gpu h THR 358 N 2.70 0.00 -0.46 0.00 1.35 -1.75 -0.53 112.91 114.21 1gpu h THR 358 Ca -0.47 -0.17 -0.12 0.00 -0.55 0.00 0.00 66.41 65.10 1gpu h THR 358 Cb 1.21 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1gpu h THR 358 CO 0.65 0.00 -0.17 -0.09 -0.25 0.00 0.00 175.52 175.66 1gpu h ARG 359 N 0.00 0.93 -0.08 4.72 2.43 -1.68 -0.99 114.38 119.70 1gpu h ARG 359 Ca 0.00 -0.38 -0.23 0.00 -0.81 0.00 0.00 59.98 58.56 1gpu h ARG 359 Cb 0.18 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1gpu h ARG 359 CO 0.00 1.04 -0.86 -0.22 -1.51 0.00 0.00 179.97 178.42 1gpu h LYS 360 N 0.77 0.66 -0.80 0.20 1.63 -1.41 -2.76 116.57 114.87 1gpu h LYS 360 Ca 0.11 -0.60 -0.02 0.00 -0.85 0.00 0.00 60.65 59.29 1gpu h LYS 360 Cb 0.73 0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.47 1gpu h LYS 360 CO 0.06 1.21 0.44 -0.07 -3.45 0.00 0.00 179.45 177.63 1gpu h LEU 361 N 0.42 0.99 -0.38 5.20 3.38 -1.15 -1.58 115.31 122.19 1gpu h LEU 361 Ca -0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1gpu h LEU 361 Cb 1.49 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 1gpu h LEU 361 CO 0.17 0.80 0.22 -1.28 0.09 0.00 0.00 178.44 178.44 1gpu h SER 362 N 1.12 0.46 -0.93 -0.43 0.87 -1.12 -1.60 113.55 111.91 1gpu h SER 362 Ca 0.28 -0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 1gpu h SER 362 Cb 0.03 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 61.81 1gpu h SER 362 CO -0.05 0.39 0.59 -0.08 -0.53 0.00 0.00 176.83 177.16 1gpu h GLU 363 N 0.49 1.05 -0.55 2.24 4.81 -1.09 -1.67 114.58 119.88 1gpu h GLU 363 Ca 0.14 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 1gpu h GLU 363 Cb 0.02 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 1gpu h GLU 363 CO -0.02 0.70 0.01 1.15 -0.73 0.00 0.00 179.01 180.11 1gpu h THR 364 N 1.09 1.25 -0.24 0.32 2.02 -0.80 -1.10 112.91 115.45 1gpu h THR 364 Ca 0.40 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 1gpu h THR 364 Cb 0.16 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1gpu h THR 364 CO -0.17 0.38 0.09 0.58 0.37 0.00 0.00 175.52 176.78 1gpu h VAL 365 N 0.86 1.18 -0.84 3.16 2.07 -0.52 -0.61 116.25 121.54 1gpu h VAL 365 Ca 0.16 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1gpu h VAL 365 Cb 0.49 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 1gpu h VAL 365 CO 0.02 0.18 0.55 -0.07 0.02 0.00 0.00 177.57 178.27 1gpu h LEU 366 N 0.23 0.92 -1.06 2.57 3.38 -1.14 -1.22 115.31 118.99 1gpu h LEU 366 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1gpu h LEU 366 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1gpu h LEU 366 CO -0.01 0.65 0.00 -0.33 0.09 0.00 0.00 178.44 178.85 1gpu h GLU 367 N 1.08 0.67 0.00 1.13 4.39 -0.93 -1.64 114.58 119.29 1gpu h GLU 367 Ca 0.32 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1gpu h GLU 367 Cb -0.05 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1gpu h GLU 367 CO -0.09 0.68 -0.15 -0.25 -1.16 0.00 0.00 179.01 178.04 1gpu n ASP 368 N -4.24 0.22 0.00 1.42 9.92 -0.26 -4.28 116.55 119.33 1gpu n ASP 368 Ca 0.02 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.59 1gpu n ASP 368 Cb 0.27 -0.32 0.00 0.00 -0.64 0.00 0.00 41.12 40.43 1gpu n ASP 368 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1gpu n VAL 369 N -1.59 0.00 -0.13 2.53 0.24 -0.55 -4.76 118.33 114.07 1gpu n VAL 369 Ca 0.06 -0.32 0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1gpu n VAL 369 Cb 0.35 0.90 0.37 0.00 -1.47 0.00 0.00 33.84 33.98 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 0.70 -0.04 6.34 -0.00 -1.48 0.14 116.97 122.63 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 -0.23 -0.01 0.00 -0.00 0.00 0.00 36.73 36.49 1gpu h TYR 370 CO 0.00 0.40 -0.80 -0.97 -0.00 0.00 0.00 178.16 176.79 1gpu h ASN 371 N 0.72 0.42 0.66 0.10 -0.73 -1.85 -3.12 115.58 111.77 1gpu h ASN 371 Ca 0.26 -0.30 -0.10 0.00 1.87 0.00 0.00 56.30 58.03 1gpu h ASN 371 Cb 0.14 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.59 1gpu h ASN 371 CO -0.08 1.06 -0.48 -0.61 -0.37 0.00 0.00 177.43 176.95 1gpu h GLN 372 N 0.22 0.00 -3.28 6.67 5.75 -1.63 -3.38 115.11 119.46 1gpu h GLN 372 Ca -0.04 0.00 -0.65 0.00 -0.15 0.00 0.00 58.65 57.80 1gpu h GLN 372 Cb 1.39 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 29.55 1gpu h GLN 372 CO 0.13 0.48 -0.46 -0.51 -2.65 0.00 0.00 178.83 175.82 1gpu s LEU 373 N -7.49 4.90 0.64 -2.39 1.43 -0.05 -4.81 118.68 110.91 1gpu s LEU 373 Ca -0.01 -3.46 0.37 0.00 -1.03 0.00 0.00 54.13 50.01 1gpu s LEU 373 Cb 0.12 -1.73 2.09 0.00 0.03 0.00 0.00 46.19 46.70 1gpu s LEU 373 CO 0.73 -0.19 2.26 1.55 0.23 0.00 0.00 176.35 180.93 1gpu h PRO 374 N 6.06 0.00 -0.00 1.29 0.13 -1.75 -0.75 132.00 136.98 1gpu h PRO 374 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 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 0.74 0.00 -0.05 -0.85 -0.23 0.00 0.00 178.00 177.61 1gpu n GLU 375 N -3.36 0.57 -2.44 0.86 0.00 -1.26 -4.81 120.64 110.20 1gpu n GLU 375 Ca -0.02 -0.10 -0.43 0.00 0.00 0.00 0.00 57.16 56.61 1gpu n GLU 375 Cb 0.14 -1.50 -0.02 0.00 0.00 0.00 0.00 31.44 30.06 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 -2.50 4.17 -0.21 -1.84 2.96 -0.29 -0.53 118.68 120.45 1gpu s LEU 376 Ca 0.30 1.67 0.01 0.00 -0.22 0.00 0.00 54.13 55.88 1gpu s LEU 376 Cb 0.20 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.40 1gpu s LEU 376 CO 0.46 -0.75 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.03 1gpu s ILE 377 N 3.47 1.58 0.46 6.68 -1.09 -0.66 -4.94 121.20 126.70 1gpu s ILE 377 Ca 0.54 -1.07 0.07 0.00 -2.23 0.00 0.00 60.65 57.96 1gpu s ILE 377 Cb -0.21 -1.73 0.07 0.00 -1.58 0.00 0.00 42.46 39.01 1gpu s ILE 377 CO 0.14 0.07 0.57 0.61 -1.23 0.00 0.00 174.94 175.11 1gpu n GLY 378 N 4.69 2.14 0.00 6.18 0.00 -0.50 -1.17 105.19 116.53 1gpu n GLY 378 Ca -0.14 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.55 0.15 3.29 -0.02 0.00 -1.08 -0.23 105.19 106.75 1gpu n GLY 379 Ca 0.10 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.25 -1.26 1.61 0.15 -1.02 -0.99 113.70 111.94 1gpu s SER 380 Ca 0.00 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 1gpu s SER 380 Cb 0.00 0.37 0.17 0.00 -1.71 0.00 0.00 66.02 64.85 1gpu s SER 380 CO 0.00 -0.55 1.74 0.00 1.20 0.00 0.00 173.24 175.63 1gpu n ALA 381 N 0.92 4.88 -2.54 5.45 0.00 -0.35 -2.19 120.51 126.67 1gpu n ALA 381 Ca -0.20 -4.28 -0.20 0.00 0.00 0.00 0.00 53.44 48.76 1gpu n ALA 381 Cb 0.58 -3.02 -0.00 0.00 0.00 0.00 0.00 19.45 17.01 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 4.51 -5.69 -1.61 0.00 2.03 -1.12 -4.48 116.55 110.20 1gpu n ASP 382 Ca 0.39 -0.05 0.02 0.00 0.52 0.00 0.00 54.79 55.67 1gpu n ASP 382 Cb 0.38 -4.71 0.06 0.00 -0.72 0.00 0.00 41.12 36.13 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 -3.20 1.69 -0.06 -2.67 4.77 -1.26 -4.93 117.00 111.33 1gpu n LEU 383 Ca -0.21 -2.73 -0.07 0.00 -0.03 0.00 0.00 56.01 52.97 1gpu n LEU 383 Cb 0.66 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.71 1gpu n LEU 383 CO 0.31 0.88 0.76 0.74 -1.33 0.00 0.00 177.39 178.76 1gpu h THR 384 N 5.28 0.57 0.00 -5.08 2.02 -1.89 0.41 112.91 114.22 1gpu h THR 384 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1gpu h THR 384 Cb 1.59 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 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 -5.31 0.15 -0.10 6.66 -0.04 -1.26 -1.16 135.00 133.94 1gpu n PRO 385 Ca -0.00 0.39 -0.17 0.00 -0.04 0.00 0.00 63.50 63.68 1gpu n PRO 385 Cb 0.22 -1.79 -0.13 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 1.59 0.12 3.54 7.64 -0.47 -4.42 113.62 119.56 1gpu n SER 386 Ca 0.02 -0.03 0.03 0.00 1.01 0.00 0.00 58.87 59.90 1gpu n SER 386 Cb 0.21 -0.21 0.01 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.01 0.00 -5.54 6.43 -0.26 -0.22 -3.48 115.58 112.51 1gpu h ASN 387 Ca -0.54 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 54.86 1gpu h ASN 387 Cb 1.99 0.00 0.15 0.00 -1.06 0.00 0.00 38.32 39.40 1gpu h ASN 387 CO -0.03 0.47 -0.71 0.18 -1.06 0.00 0.00 177.43 176.29 1gpu n LEU 388 N -3.14 -3.74 -0.47 1.61 4.77 -0.31 -4.83 117.00 110.89 1gpu n LEU 388 Ca -0.00 -0.57 0.11 0.00 -0.03 0.00 0.00 56.01 55.53 1gpu n LEU 388 Cb 0.74 -2.99 0.08 0.00 -2.33 0.00 0.00 43.42 38.92 1gpu n LEU 388 CO 0.41 0.46 0.39 0.35 -1.33 0.00 0.00 177.39 177.66 1gpu n THR 389 N -4.32 0.00 -3.75 -5.08 -2.24 -1.25 -4.09 114.28 93.55 1gpu n THR 389 Ca -0.18 -0.24 -0.37 0.00 -2.27 0.00 0.00 64.05 60.99 1gpu n THR 389 Cb 0.63 1.10 -0.12 0.00 -2.10 0.00 0.00 70.33 69.83 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 -2.46 3.70 0.59 -0.78 3.52 -1.26 -4.66 118.95 117.60 1gpu s ARG 390 Ca 0.20 -0.45 -0.17 0.00 -0.13 0.00 0.00 55.73 55.18 1gpu s ARG 390 Cb 0.18 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 1gpu s ARG 390 CO 0.55 -0.17 1.10 1.67 -0.81 0.00 0.00 175.30 177.64 1gpu s TRP 391 N 1.57 2.76 0.16 5.12 -2.14 -1.26 -4.96 118.94 120.19 1gpu s TRP 391 Ca 0.06 1.54 -0.30 0.00 2.66 0.00 0.00 56.10 60.07 1gpu s TRP 391 Cb -0.15 -3.16 -0.04 0.00 -3.10 0.00 0.00 33.47 27.02 1gpu s TRP 391 CO 0.04 -1.43 1.54 -0.22 -2.66 0.00 0.00 176.95 174.22 1gpu h LYS 392 N 0.64 -0.06 -1.00 3.25 3.64 -1.96 -2.51 116.57 118.57 1gpu h LYS 392 Ca -0.48 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.39 1gpu h LYS 392 Cb 1.24 0.01 -0.30 0.00 -0.41 0.00 0.00 32.23 32.77 1gpu h LYS 392 CO 0.56 -0.04 0.65 0.39 -2.27 0.00 0.00 179.45 178.75 1gpu n GLU 393 N -5.30 2.24 -1.62 1.90 1.02 -1.26 -4.99 120.64 112.64 1gpu n GLU 393 Ca 0.02 -2.96 -0.34 0.00 -0.02 0.00 0.00 57.16 53.86 1gpu n GLU 393 Cb 0.29 -2.16 0.07 0.00 -0.02 0.00 0.00 31.44 29.62 1gpu n GLU 393 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gpu s ALA 394 N -3.25 2.29 -0.14 0.62 0.00 -0.95 -5.03 121.76 115.30 1gpu s ALA 394 Ca 0.56 0.76 0.01 0.00 0.00 0.00 0.00 51.96 53.29 1gpu s ALA 394 Cb 0.47 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 20.19 1gpu s ALA 394 CO 0.10 -1.57 -0.18 -1.17 0.00 0.00 0.00 175.76 172.94 1gpu s LEU 395 N -4.93 2.33 0.42 0.00 2.96 -1.26 -5.05 118.68 113.14 1gpu s LEU 395 Ca 0.72 -0.52 -0.25 0.00 -0.22 0.00 0.00 54.13 53.86 1gpu s LEU 395 Cb -0.26 -1.51 -0.08 0.00 0.50 0.00 0.00 46.19 44.84 1gpu s LEU 395 CO 0.42 0.10 1.17 -1.81 -1.32 0.00 0.00 176.35 174.91 1gpu s ASP 396 N 0.74 6.40 -0.29 3.68 1.01 -1.26 -0.65 116.67 126.30 1gpu s ASP 396 Ca -0.08 2.35 -0.29 0.00 0.71 0.00 0.00 52.55 55.24 1gpu s ASP 396 Cb -0.16 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.17 1gpu s ASP 396 CO 0.01 -0.76 1.19 0.12 0.21 0.00 0.00 175.17 175.94 1gpu s PHE 397 N -1.45 2.92 0.19 4.23 5.36 0.17 -2.98 117.98 126.42 1gpu s PHE 397 Ca 0.59 1.04 -0.18 0.00 -0.96 0.00 0.00 56.93 57.41 1gpu s PHE 397 Cb -0.30 -3.76 0.03 0.00 -0.34 0.00 0.00 43.02 38.65 1gpu s PHE 397 CO 0.38 -1.27 0.53 -0.65 -1.46 0.00 0.00 175.22 172.75 1gpu s GLN 398 N 3.85 1.36 0.46 10.12 -1.52 -1.00 -4.66 119.66 128.28 1gpu s GLN 398 Ca 0.51 -0.81 -0.23 0.00 -1.95 0.00 0.00 55.36 52.88 1gpu s GLN 398 Cb -0.15 0.53 -0.07 0.00 -0.22 0.00 0.00 33.01 33.10 1gpu s GLN 398 CO 0.18 -0.58 1.18 -2.14 -0.25 0.00 0.00 175.29 173.68 1gpu s PRO 399 N -3.86 3.75 0.43 2.91 0.02 -1.26 -1.81 135.00 135.18 1gpu s PRO 399 Ca 0.08 1.81 0.18 0.00 0.02 0.00 0.00 61.00 63.08 1gpu s PRO 399 Cb -0.01 -2.42 1.09 0.00 0.02 0.00 0.00 34.50 33.18 1gpu s PRO 399 CO -0.04 -0.57 1.89 -1.35 -0.33 0.00 0.00 177.00 176.60 1gpu h PRO 400 N 2.07 0.37 0.00 5.54 0.11 -1.92 -0.92 132.00 137.26 1gpu h PRO 400 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1gpu h PRO 400 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1gpu h PRO 400 CO 0.60 0.25 0.00 -1.13 -0.21 0.00 0.00 178.00 177.51 1gpu n SER 401 N -4.48 0.00 -0.01 -2.05 3.41 -1.26 -3.75 113.62 105.48 1gpu n SER 401 Ca 0.17 0.43 -0.12 0.00 -0.26 0.00 0.00 58.87 59.08 1gpu n SER 401 Cb 0.63 -0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.43 -3.47 113.55 117.41 1gpu h SER 402 Ca 0.00 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1gpu h SER 402 Cb 0.30 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1gpu h SER 402 CO 0.00 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1gpu n GLY 403 N -0.37 0.71 0.34 -0.77 0.00 -1.25 -4.88 105.19 98.97 1gpu n GLY 403 Ca -0.07 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 1.62 0.00 1.61 7.64 -1.26 -5.08 113.62 118.15 1gpu n SER 404 Ca 0.00 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.57 1gpu n SER 404 Cb 0.00 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.62 -0.50 3.57 0.23 0.00 -1.26 -4.15 105.19 103.70 1gpu n GLY 405 Ca 0.05 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1gpu n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gpu s ASN 406 N -4.00 0.74 0.06 1.61 2.20 -1.16 -4.25 114.94 110.14 1gpu s ASN 406 Ca 0.00 -1.42 0.11 0.00 -0.94 0.00 0.00 52.86 50.61 1gpu s ASN 406 Cb 0.00 0.72 0.50 0.00 -2.00 0.00 0.00 41.25 40.47 1gpu s ASN 406 CO 0.00 -1.41 1.35 -1.22 -2.94 0.00 0.00 177.10 172.88 1gpu n TYR 407 N -0.57 0.17 1.13 1.54 4.01 -0.75 -0.81 117.16 121.89 1gpu n TYR 407 Ca -0.01 0.08 0.13 0.00 -0.16 0.00 0.00 57.90 57.93 1gpu n TYR 407 Cb 0.61 -0.62 0.45 0.00 -0.31 0.00 0.00 39.34 39.46 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 -1.66 0.42 -4.71 7.72 3.41 -1.26 -3.71 113.62 113.83 1gpu n SER 408 Ca 0.02 -0.22 -0.35 0.00 -0.26 0.00 0.00 58.87 58.06 1gpu n SER 408 Cb 0.10 -0.03 0.10 0.00 -0.26 0.00 0.00 64.21 64.12 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 -2.81 2.49 -0.03 5.00 0.00 0.01 -4.93 107.32 107.06 1gpu s GLY 409 Ca 0.18 1.03 0.04 0.00 0.00 0.00 0.00 44.72 45.96 1gpu s GLY 409 CO 0.58 1.45 1.03 0.54 0.00 0.00 0.00 173.10 176.70 1gpu n ARG 410 N -2.66 2.64 -4.22 2.90 1.74 0.17 -4.27 116.66 112.96 1gpu n ARG 410 Ca 0.15 -1.71 -0.29 0.00 -0.77 0.00 0.00 57.85 55.23 1gpu n ARG 410 Cb 0.49 -1.10 -0.17 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.37 2.07 -0.19 -1.55 5.04 -1.13 -1.40 117.35 118.81 1gpu s TYR 411 Ca 0.06 -1.08 -0.11 0.00 -2.44 0.00 0.00 57.07 53.51 1gpu s TYR 411 Cb 0.06 -1.51 -0.05 0.00 0.35 0.00 0.00 41.96 40.80 1gpu s TYR 411 CO 0.01 -0.58 0.18 0.42 -1.34 0.00 0.00 175.55 174.23 1gpu s ILE 412 N 1.26 5.38 -0.89 3.14 1.01 0.68 0.44 121.20 132.23 1gpu s ILE 412 Ca -0.00 0.29 -0.16 0.00 0.00 0.00 0.00 60.65 60.77 1gpu s ILE 412 Cb -0.14 -3.52 0.18 0.00 0.01 0.00 0.00 42.46 39.00 1gpu s ILE 412 CO -0.06 0.42 0.95 -0.13 0.00 0.00 0.00 174.94 176.11 1gpu s ARG 413 N 0.45 3.62 0.52 2.79 1.81 -1.26 -2.43 118.95 124.45 1gpu s ARG 413 Ca 0.10 -2.16 0.30 0.00 -1.72 0.00 0.00 55.73 52.25 1gpu s ARG 413 Cb -0.12 -4.66 1.25 0.00 -0.45 0.00 0.00 34.95 30.97 1gpu s ARG 413 CO 0.00 -1.51 1.95 1.88 -0.68 0.00 0.00 175.30 176.93 1gpu h TYR 414 N 8.22 0.00 -0.23 -0.53 0.05 -1.84 -3.49 116.97 119.16 1gpu h TYR 414 Ca 0.14 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.92 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 1.09 0.08 -0.01 0.41 -1.05 0.00 0.00 178.16 178.68 1gpu n GLY 415 N 0.01 -2.04 2.80 3.88 0.00 -1.25 -4.16 105.19 104.44 1gpu n GLY 415 Ca 0.00 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.43 3.80 -3.18 -0.61 -0.00 -1.26 -2.77 119.36 114.90 1gpu n ILE 416 Ca 0.00 -3.57 -0.23 0.00 -0.00 0.00 0.00 62.75 58.95 1gpu n ILE 416 Cb 0.01 -2.51 -0.07 0.00 -0.00 0.00 0.00 39.64 37.08 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 5.31 0.69 -0.03 0.38 1.74 -1.26 -5.00 116.66 118.49 1gpu n ARG 417 Ca 0.47 -3.15 -0.11 0.00 -0.77 0.00 0.00 57.85 54.30 1gpu n ARG 417 Cb 0.38 -1.25 -0.05 0.00 -1.02 0.00 0.00 32.46 30.53 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 4.08 0.20 -0.20 5.56 3.07 -1.91 -0.88 114.58 124.50 1gpu h GLU 418 Ca 0.07 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.93 1gpu h GLU 418 Cb 0.89 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.74 1gpu h GLU 418 CO 0.45 0.18 0.08 1.25 -1.40 0.00 0.00 179.01 179.57 1gpu h HIS 419 N 0.16 0.14 -0.68 4.33 2.76 -1.90 -0.07 115.15 119.89 1gpu h HIS 419 Ca 0.05 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.18 1gpu h HIS 419 Cb 0.04 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 1gpu h HIS 419 CO -0.05 0.08 0.21 0.00 -1.30 0.00 0.00 177.93 176.87 1gpu h ALA 420 N 1.11 1.10 -0.86 5.26 0.00 -1.80 -2.00 119.26 122.07 1gpu h ALA 420 Ca 0.08 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1gpu h ALA 420 Cb 0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1gpu h ALA 420 CO -0.08 0.62 0.55 1.98 0.00 0.00 0.00 179.25 182.32 1gpu h MET 421 N 1.00 0.99 -0.23 0.00 -1.53 -0.48 0.41 114.93 115.10 1gpu h MET 421 Ca 0.22 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 56.42 1gpu h MET 421 Cb 0.28 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1gpu h MET 421 CO -0.01 0.66 0.13 0.78 0.14 0.00 0.00 176.91 178.61 1gpu h GLY 422 N 1.02 0.34 1.88 1.39 0.00 -0.33 -0.18 103.07 107.19 1gpu h GLY 422 Ca 0.36 -0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.41 1gpu h GLY 422 CO -0.15 0.14 -0.59 0.00 0.00 0.00 0.00 176.54 175.95 1gpu h ALA 423 N 1.02 0.95 -0.38 3.60 0.00 -0.87 -2.48 119.26 121.11 1gpu h ALA 423 Ca 0.08 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1gpu h ALA 423 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1gpu h ALA 423 CO -0.01 0.72 -0.27 0.82 0.00 0.00 0.00 179.25 180.51 1gpu h ILE 424 N 0.09 1.28 -0.67 0.00 2.04 0.00 -1.52 117.51 118.73 1gpu h ILE 424 Ca -0.00 -1.42 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 1gpu h ILE 424 Cb 1.06 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 1gpu h ILE 424 CO 0.08 0.47 0.29 0.24 0.00 0.00 0.00 178.15 179.23 1gpu h MET 425 N 0.65 0.97 -0.83 2.37 2.86 -0.92 0.23 114.93 120.27 1gpu h MET 425 Ca 0.07 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1gpu h MET 425 Cb 0.84 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.29 1gpu h MET 425 CO 0.07 0.78 0.44 -0.91 1.06 0.00 0.00 176.91 178.35 1gpu h ASN 426 N 0.96 1.04 -0.39 1.22 2.35 -1.12 -0.36 115.58 119.28 1gpu h ASN 426 Ca 0.23 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 1gpu h ASN 426 Cb 0.16 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1gpu h ASN 426 CO -0.02 0.85 -0.15 1.23 -1.65 0.00 0.00 177.43 177.69 1gpu h GLY 427 N 1.15 0.93 0.92 2.83 0.00 -0.34 0.12 103.07 108.68 1gpu h GLY 427 Ca 0.29 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 1gpu h GLY 427 CO -0.04 0.69 0.02 -2.22 0.00 0.00 0.00 176.54 174.99 1gpu h ILE 428 N 0.76 1.25 -0.46 2.60 2.04 -0.62 -1.48 117.51 121.60 1gpu h ILE 428 Ca 0.12 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 1gpu h ILE 428 Cb 0.68 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1gpu h ILE 428 CO 0.05 0.31 0.22 -1.28 0.00 0.00 0.00 178.15 177.45 1gpu h SER 429 N 0.43 0.61 0.26 1.72 0.87 -0.88 -2.71 113.55 113.84 1gpu h SER 429 Ca 0.10 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1gpu h SER 429 Cb 0.42 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 1gpu h SER 429 CO 0.01 0.57 -0.14 0.00 -0.53 0.00 0.00 176.83 176.74 1gpu h ALA 430 N 1.07 1.47 -0.66 6.23 0.00 -0.58 -2.89 119.26 123.89 1gpu h ALA 430 Ca 0.16 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.03 1gpu h ALA 430 Cb 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1gpu h ALA 430 CO -0.02 0.17 0.32 0.35 0.00 0.00 0.00 179.25 180.07 1gpu h PHE 431 N 0.00 0.58 0.00 0.00 3.57 -0.93 -3.49 116.94 116.67 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 0.30 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1gpu h PHE 431 CO 0.00 0.22 0.00 0.41 -2.23 0.00 0.00 178.31 176.71 1gpu n GLY 432 N -1.29 0.15 2.87 2.40 0.00 -1.09 -4.98 105.19 103.25 1gpu n GLY 432 Ca 0.09 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.67 -0.91 -1.92 4.61 0.00 -1.26 -1.59 120.51 118.77 1gpu n ALA 433 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1gpu n ALA 433 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.04 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 -2.11 -3.97 -4.67 0.00 5.15 -1.19 -4.70 115.26 103.77 1gpu n ASN 434 Ca -0.10 0.25 -0.44 0.00 -0.60 0.00 0.00 54.58 53.69 1gpu n ASN 434 Cb 0.59 -3.51 -0.02 0.00 -0.53 0.00 0.00 39.78 36.31 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 -2.72 2.13 -3.81 1.20 4.01 -0.62 -4.81 117.16 112.55 1gpu n TYR 435 Ca -0.15 0.48 -0.28 0.00 -0.16 0.00 0.00 57.90 57.79 1gpu n TYR 435 Cb 0.54 -2.43 -0.12 0.00 -0.31 0.00 0.00 39.34 37.02 1gpu n TYR 435 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1gpu s LYS 436 N -0.86 2.11 0.31 -0.72 -0.14 0.31 -4.66 119.74 116.09 1gpu s LYS 436 Ca 0.64 -3.02 -0.25 0.00 -1.36 0.00 0.00 55.97 51.98 1gpu s LYS 436 Cb -0.63 -3.02 -0.10 0.00 -1.68 0.00 0.00 37.83 32.40 1gpu s LYS 436 CO 0.54 -1.29 0.91 -1.25 -0.76 0.00 0.00 175.35 173.50 1gpu s PRO 437 N -1.03 4.54 0.03 -1.68 0.04 -1.26 -1.66 135.00 133.98 1gpu s PRO 437 Ca 0.25 1.27 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1gpu s PRO 437 Cb -0.06 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.64 1gpu s PRO 437 CO -0.15 0.30 -0.06 1.52 0.04 0.00 0.00 177.00 178.65 1gpu s TYR 438 N -1.59 0.54 -0.01 0.56 -0.85 -0.31 -2.50 117.35 113.18 1gpu s TYR 438 Ca 0.49 -0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.61 1gpu s TYR 438 Cb -0.18 -0.33 0.01 0.00 0.38 0.00 0.00 41.96 41.83 1gpu s TYR 438 CO 0.23 -0.09 -0.00 0.20 -1.52 0.00 0.00 175.55 174.37 1gpu s GLY 439 N -1.31 0.07 0.09 5.49 0.00 0.16 -2.63 107.32 109.19 1gpu s GLY 439 Ca -0.09 0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.69 1gpu s GLY 439 CO 0.00 0.12 0.06 -0.32 0.00 0.00 0.00 173.10 172.96 1gpu s GLY 440 N 0.22 1.95 0.02 0.20 0.00 -0.16 -0.27 107.32 109.27 1gpu s GLY 440 Ca -0.02 -1.07 -0.28 0.00 0.00 0.00 0.00 44.72 43.34 1gpu s GLY 440 CO -0.01 -1.06 1.24 -1.08 0.00 0.00 0.00 173.10 172.19 1gpu s THR 441 N -1.41 0.00 0.31 0.90 -1.32 -0.95 -1.21 115.64 111.96 1gpu s THR 441 Ca 0.28 -0.27 -0.28 0.00 -1.21 0.00 0.00 61.69 60.21 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 0.21 0.00 1.09 -0.36 -2.21 0.00 0.00 174.62 173.35 1gpu s PHE 442 N -2.32 3.49 0.29 9.09 0.08 -1.26 -2.32 117.98 125.02 1gpu s PHE 442 Ca 0.20 1.69 0.03 0.00 0.12 0.00 0.00 56.93 58.97 1gpu s PHE 442 Cb 0.02 -3.24 0.66 0.00 -0.57 0.00 0.00 43.02 39.89 1gpu s PHE 442 CO -0.01 -0.58 1.76 1.25 -0.10 0.00 0.00 175.22 177.54 1gpu h LEU 443 N 3.44 0.63 -2.38 -0.37 5.85 -1.28 -0.10 115.31 121.10 1gpu h LEU 443 Ca -0.47 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1gpu h LEU 443 Cb 1.21 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1gpu h LEU 443 CO 0.66 0.22 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.81 1gpu h ASN 444 N 0.66 0.00 -0.16 1.25 -1.24 -1.83 -2.16 115.58 112.10 1gpu h ASN 444 Ca 0.54 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.55 1gpu h ASN 444 Cb 0.84 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1gpu h ASN 444 CO -0.40 0.03 0.00 0.49 -1.29 0.00 0.00 177.43 176.27 1gpu n PHE 445 N -3.61 0.18 0.23 0.67 3.72 -0.06 -3.68 117.46 114.90 1gpu n PHE 445 Ca -0.03 -0.09 0.08 0.00 -0.05 0.00 0.00 57.45 57.36 1gpu n PHE 445 Cb 0.13 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.22 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 4.58 0.92 -0.03 -4.37 2.07 -1.21 -1.41 116.25 116.80 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 0.98 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 1gpu h VAL 446 CO 0.00 0.21 0.03 0.28 0.02 0.00 0.00 177.57 178.10 1gpu h SER 447 N 0.00 0.00 0.64 0.57 0.02 -1.71 0.37 113.55 113.45 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 0.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1gpu h SER 447 CO 0.03 0.00 -0.01 1.88 -1.14 0.00 0.00 176.83 177.58 1gpu h TYR 448 N 0.00 0.00 -0.33 3.45 -1.99 -1.50 -2.74 116.97 113.86 1gpu h TYR 448 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1gpu h TYR 448 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 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 3.03 -0.34 3.88 0.00 0.12 -4.28 120.51 120.82 1gpu n ALA 449 Ca -0.01 -2.09 0.17 0.00 0.00 0.00 0.00 53.44 51.52 1gpu n ALA 449 Cb 0.23 -0.75 0.40 0.00 0.00 0.00 0.00 19.45 19.32 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 2.25 1.86 -0.58 0.00 0.00 -1.49 -1.20 119.26 120.09 1gpu h ALA 450 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1gpu h ALA 450 Cb 1.44 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.15 1gpu h ALA 450 CO 0.24 -0.29 0.23 0.78 0.00 0.00 0.00 179.25 180.21 1gpu h GLY 451 N 0.59 0.82 1.05 0.00 0.00 -1.87 -1.07 103.07 102.59 1gpu h GLY 451 Ca 0.61 -0.13 -0.24 0.00 0.00 0.00 0.00 47.33 47.58 1gpu h GLY 451 CO -0.41 0.01 -0.95 0.00 0.00 0.00 0.00 176.54 175.19 1gpu h ALA 452 N 1.38 0.06 -0.74 3.60 0.00 -1.58 -3.26 119.26 118.74 1gpu h ALA 452 Ca 0.29 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.57 1gpu h ALA 452 Cb 0.32 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1gpu h ALA 452 CO -0.27 0.56 0.48 0.28 0.00 0.00 0.00 179.25 180.31 1gpu h VAL 453 N 0.16 1.07 -0.87 0.00 2.07 -1.04 -1.18 116.25 116.46 1gpu h VAL 453 Ca -0.13 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1gpu h VAL 453 Cb 1.64 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1gpu h VAL 453 CO 0.18 0.15 0.49 -0.09 0.02 0.00 0.00 177.57 178.32 1gpu h ARG 454 N 0.84 1.21 0.00 1.57 2.43 -1.24 -1.60 114.38 117.59 1gpu h ARG 454 Ca 0.30 -0.13 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1gpu h ARG 454 Cb 0.14 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1gpu h ARG 454 CO -0.09 0.88 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.67 1gpu h LEU 455 N 1.22 0.00 -0.64 3.80 3.38 -1.31 0.29 115.31 122.04 1gpu h LEU 455 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1gpu h LEU 455 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1gpu h LEU 455 CO -0.05 0.50 0.34 0.28 0.09 0.00 0.00 178.44 179.60 1gpu h SER 456 N 0.00 0.82 -0.08 -0.43 0.02 -0.33 0.18 113.55 113.73 1gpu h SER 456 Ca -0.01 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1gpu h SER 456 Cb 1.08 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1gpu h SER 456 CO 0.07 0.69 -0.22 0.00 -1.14 0.00 0.00 176.83 176.23 1gpu h ALA 457 N 1.16 0.13 -0.12 3.77 0.00 -1.09 0.16 119.26 123.28 1gpu h ALA 457 Ca 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1gpu h ALA 457 Cb 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1gpu h ALA 457 CO -0.03 0.10 0.03 1.25 0.00 0.00 0.00 179.25 180.60 1gpu h LEU 458 N -0.19 0.17 -0.41 0.00 5.85 -0.80 -3.16 115.31 116.78 1gpu h LEU 458 Ca -0.00 -0.22 -0.18 0.00 0.84 0.00 0.00 57.88 58.31 1gpu h LEU 458 Cb 0.83 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1gpu h LEU 458 CO 0.05 0.35 -0.78 0.28 -0.34 0.00 0.00 178.44 177.99 1gpu h SER 459 N -0.01 0.26 -0.38 1.25 0.02 -0.75 -3.48 113.55 110.46 1gpu h SER 459 Ca 0.04 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1gpu h SER 459 Cb 0.24 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1gpu h SER 459 CO -0.00 0.94 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 1gpu n GLY 460 N 0.67 0.96 3.59 -3.77 0.00 0.06 -4.82 105.19 101.87 1gpu n GLY 460 Ca -0.03 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.34 3.17 0.00 1.61 3.76 0.35 -4.25 115.29 117.58 1gpu s HIS 461 Ca 0.00 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1gpu s HIS 461 Cb 0.00 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 30.53 1gpu s HIS 461 CO 0.00 -0.60 0.24 -2.30 -0.85 0.00 0.00 174.74 171.23 1gpu n PRO 462 N 6.09 0.14 -1.74 8.40 -0.02 -1.26 -3.31 135.00 143.31 1gpu n PRO 462 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.16 1gpu n PRO 462 Cb 0.49 -1.43 0.04 0.00 -0.02 0.00 0.00 33.50 32.58 1gpu n PRO 462 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1gpu s VAL 463 N 1.43 3.73 -0.10 -1.45 -7.23 -1.26 -4.73 120.40 110.79 1gpu s VAL 463 Ca 0.00 0.69 0.03 0.00 -1.81 0.00 0.00 61.98 60.89 1gpu s VAL 463 Cb 0.00 -3.28 0.01 0.00 0.56 0.00 0.00 36.38 33.67 1gpu s VAL 463 CO 0.00 -0.61 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.37 1gpu s ILE 464 N -2.69 1.70 -0.24 -0.62 1.01 -1.04 -0.53 121.20 118.78 1gpu s ILE 464 Ca 0.62 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 1gpu s ILE 464 Cb -0.16 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1gpu s ILE 464 CO 0.46 0.48 0.08 0.26 0.00 0.00 0.00 174.94 176.22 1gpu s TRP 465 N 0.65 3.11 -0.76 3.97 0.52 0.51 -0.66 118.94 126.27 1gpu s TRP 465 Ca -0.13 -0.33 -0.17 0.00 0.02 0.00 0.00 56.10 55.49 1gpu s TRP 465 Cb -0.16 -2.23 0.15 0.00 -1.15 0.00 0.00 33.47 30.08 1gpu s TRP 465 CO 0.03 -0.29 0.83 0.08 0.02 0.00 0.00 176.95 177.62 1gpu s VAL 466 N 1.49 5.11 -0.71 4.03 1.01 0.62 -0.71 120.40 131.24 1gpu s VAL 466 Ca 0.06 -1.71 -0.15 0.00 0.00 0.00 0.00 61.98 60.18 1gpu s VAL 466 Cb -0.15 -4.55 0.18 0.00 0.00 0.00 0.00 36.38 31.86 1gpu s VAL 466 CO 0.04 -1.18 0.65 0.00 0.00 0.00 0.00 175.10 174.61 1gpu s ALA 467 N 1.71 3.90 0.77 5.51 0.00 -0.49 -2.25 121.76 130.91 1gpu s ALA 467 Ca 0.19 -3.00 -0.07 0.00 0.00 0.00 0.00 51.96 49.08 1gpu s ALA 467 Cb -0.14 -3.40 0.11 0.00 0.00 0.00 0.00 23.12 19.68 1gpu s ALA 467 CO -0.04 -2.17 1.08 0.95 0.00 0.00 0.00 175.76 175.58 1gpu s THR 468 N 0.76 2.18 -1.02 0.00 -4.23 -0.98 -0.22 115.64 112.13 1gpu s THR 468 Ca 0.12 -0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 60.24 1gpu s THR 468 Cb -0.18 -2.89 -0.04 0.00 1.34 0.00 0.00 72.50 70.73 1gpu s THR 468 CO -0.04 0.00 0.83 1.41 -0.54 0.00 0.00 174.62 176.28 1gpu n HIS 469 N -3.09 -2.36 1.44 3.99 8.25 -0.29 -1.12 115.22 122.04 1gpu n HIS 469 Ca 0.11 0.77 0.13 0.00 -0.26 0.00 0.00 57.72 58.48 1gpu n HIS 469 Cb 0.60 -3.85 0.73 0.00 1.12 0.00 0.00 29.99 28.60 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 -2.78 0.00 -0.16 0.41 5.75 -0.87 -4.15 116.55 114.75 1gpu n ASP 470 Ca -0.08 -0.36 0.00 0.00 -0.01 0.00 0.00 54.79 54.34 1gpu n ASP 470 Cb 0.59 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 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 -1.19 0.00 0.14 -1.12 3.41 -1.26 -4.47 113.62 109.13 1gpu n SER 471 Ca 0.16 -0.16 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1gpu n SER 471 Cb 0.17 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 64.60 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 1.14 0.12 -1.33 -5.35 -1.26 -0.90 119.36 111.78 1gpu n ILE 472 Ca 0.00 0.70 0.06 0.00 -0.27 0.00 0.00 62.75 63.24 1gpu n ILE 472 Cb 0.00 -1.70 0.32 0.00 -1.74 0.00 0.00 39.64 36.52 1gpu n ILE 472 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gpu n GLY 473 N -1.33 -0.74 0.35 3.28 0.00 -1.26 -0.74 105.19 104.75 1gpu n GLY 473 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1gpu n GLY 473 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gpu h VAL 474 N 0.00 1.20 0.00 1.61 2.07 -1.36 -3.44 116.25 116.33 1gpu h VAL 474 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1gpu h VAL 474 Cb 0.03 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1gpu h VAL 474 CO 0.00 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1gpu n GLY 475 N -1.40 1.78 0.38 2.17 0.00 0.08 -4.39 105.19 103.81 1gpu n GLY 475 Ca 0.08 -0.55 0.17 0.00 0.00 0.00 0.00 46.02 45.73 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 0.55 -0.15 1.61 3.07 -1.39 -2.21 114.58 116.05 1gpu h GLU 476 Ca 0.00 -0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1gpu h GLU 476 Cb 0.00 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 1gpu h GLU 476 CO 0.00 0.36 0.24 -0.44 -1.40 0.00 0.00 179.01 177.77 1gpu h ASP 477 N 0.57 0.00 -4.30 1.42 3.32 -1.88 -3.39 116.42 112.15 1gpu h ASP 477 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1gpu h ASP 477 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1gpu h ASP 477 CO -0.30 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.83 1gpu n GLY 478 N -1.33 -2.50 0.42 2.75 0.00 -0.84 -4.54 105.19 99.15 1gpu n GLY 478 Ca 0.01 -1.67 0.23 0.00 0.00 0.00 0.00 46.02 44.59 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 0.16 0.00 1.61 0.13 -1.82 -0.48 132.00 131.60 1gpu h PRO 479 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1gpu h PRO 479 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1gpu h PRO 479 CO 0.00 0.11 0.00 0.25 -0.23 0.00 0.00 178.00 178.13 1gpu n THR 480 N -4.39 0.85 0.16 1.56 -2.24 -1.26 -2.77 114.28 106.18 1gpu n THR 480 Ca 0.17 0.20 0.02 0.00 -2.27 0.00 0.00 64.05 62.16 1gpu n THR 480 Cb 0.77 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.77 0.00 -3.48 4.78 8.25 -0.23 -4.98 115.22 117.78 1gpu n HIS 481 Ca 0.03 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 1gpu n HIS 481 Cb 0.21 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.73 2.83 0.36 -0.41 -0.21 -0.94 -4.67 119.66 115.89 1gpu s GLN 482 Ca 0.03 -1.38 -0.27 0.00 0.02 0.00 0.00 55.36 53.76 1gpu s GLN 482 Cb 0.03 -3.98 -0.12 0.00 1.00 0.00 0.00 33.01 29.94 1gpu s GLN 482 CO 0.08 -0.98 1.24 -2.30 -2.12 0.00 0.00 175.29 171.21 1gpu n PRO 483 N 5.08 1.97 0.00 2.91 -0.02 -1.26 -4.67 135.00 139.01 1gpu n PRO 483 Ca -0.11 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1gpu n PRO 483 Cb 0.43 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.15 0.00 0.65 4.25 2.08 -1.26 -4.58 119.36 120.65 1gpu n ILE 484 Ca 0.06 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.48 1gpu n ILE 484 Cb 0.37 -0.62 0.03 0.00 -0.75 0.00 0.00 39.64 38.66 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 -2.56 0.23 -0.10 0.38 0.00 -1.26 -0.71 120.64 116.62 1gpu n GLU 485 Ca 0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 57.16 57.09 1gpu n GLU 485 Cb 0.06 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 29.93 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 -0.34 3.84 2.02 -1.95 -0.67 112.91 116.20 1gpu h THR 486 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1gpu h THR 486 Cb 0.69 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1gpu h THR 486 CO 0.00 0.00 -0.11 -0.07 0.37 0.00 0.00 175.52 175.71 1gpu h LEU 487 N -0.17 0.69 -1.02 2.58 3.38 -1.97 -2.68 115.31 116.12 1gpu h LEU 487 Ca 0.18 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1gpu h LEU 487 Cb 0.45 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1gpu h LEU 487 CO -0.46 0.91 0.65 0.00 0.09 0.00 0.00 178.44 179.63 1gpu h ALA 488 N 0.80 1.42 0.72 1.53 0.00 -1.79 0.14 119.26 122.07 1gpu h ALA 488 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1gpu h ALA 488 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1gpu h ALA 488 CO 0.04 0.43 -0.49 1.25 0.00 0.00 0.00 179.25 180.48 1gpu h HIS 489 N 1.16 -1.32 0.00 0.00 -0.00 -0.93 -2.40 115.15 111.65 1gpu h HIS 489 Ca 0.44 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.78 1gpu h HIS 489 Cb 0.19 0.48 -0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1gpu h HIS 489 CO -0.00 -0.71 -0.10 0.74 -0.00 0.00 0.00 177.93 177.86 1gpu h PHE 490 N -1.15 0.00 0.00 5.26 0.04 -1.18 -1.93 116.94 117.98 1gpu h PHE 490 Ca -0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1gpu h PHE 490 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1gpu h PHE 490 CO -0.14 0.10 0.00 0.00 -0.60 0.00 0.00 178.31 177.67 1gpu h ARG 491 N 0.00 0.00 -0.00 1.51 3.08 -0.60 -2.30 114.38 116.07 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 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1gpu h ARG 491 CO 0.01 0.00 -0.47 0.43 -1.07 0.00 0.00 179.97 178.88 1gpu n SER 492 N -3.00 0.61 -4.67 7.04 7.64 -0.74 -4.82 113.62 115.68 1gpu n SER 492 Ca 0.02 -0.39 -0.40 0.00 1.01 0.00 0.00 58.87 59.11 1gpu n SER 492 Cb 0.38 0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.90 4.17 0.65 -3.43 2.96 -0.87 -5.04 118.68 114.22 1gpu s LEU 493 Ca 0.13 0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 54.74 1gpu s LEU 493 Cb 0.18 -2.89 -0.01 0.00 0.50 0.00 0.00 46.19 43.97 1gpu s LEU 493 CO 0.67 -0.23 1.23 -2.84 -1.32 0.00 0.00 176.35 173.86 1gpu s PRO 494 N 1.67 2.60 -1.21 0.98 0.02 -1.26 -4.05 135.00 133.74 1gpu s PRO 494 Ca 0.29 1.87 -0.04 0.00 0.02 0.00 0.00 61.00 63.13 1gpu s PRO 494 Cb -0.16 -1.88 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 1gpu s PRO 494 CO 0.11 -1.51 0.80 -1.71 -0.33 0.00 0.00 177.00 174.37 1gpu n ASN 495 N -2.03 -2.98 -3.70 2.53 5.15 -1.26 -4.70 115.26 108.27 1gpu n ASN 495 Ca 0.14 -0.80 -0.11 0.00 -0.60 0.00 0.00 54.58 53.22 1gpu n ASN 495 Cb 0.49 -4.34 -0.11 0.00 -0.53 0.00 0.00 39.78 35.30 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 -3.54 -0.02 0.10 -1.44 2.07 -1.26 -4.11 121.20 113.00 1gpu s ILE 496 Ca 0.16 0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 59.21 1gpu s ILE 496 Cb -0.04 -0.63 -0.06 0.00 0.13 0.00 0.00 42.46 41.86 1gpu s ILE 496 CO 0.79 0.03 0.84 -1.10 -1.91 0.00 0.00 174.94 173.60 1gpu s GLN 497 N 1.30 4.60 -0.59 3.50 -0.21 -0.61 -4.67 119.66 122.98 1gpu s GLN 497 Ca -0.09 1.23 0.04 0.00 0.02 0.00 0.00 55.36 56.57 1gpu s GLN 497 Cb -0.08 -3.34 0.16 0.00 1.00 0.00 0.00 33.01 30.75 1gpu s GLN 497 CO -0.12 0.33 0.40 0.08 -2.12 0.00 0.00 175.29 173.86 1gpu s VAL 498 N -0.31 2.14 0.19 1.09 1.01 -1.26 -1.05 120.40 122.21 1gpu s VAL 498 Ca 0.41 -3.60 -0.30 0.00 0.00 0.00 0.00 61.98 58.49 1gpu s VAL 498 Cb -0.22 -2.43 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 1gpu s VAL 498 CO 0.26 -1.01 1.00 0.26 0.00 0.00 0.00 175.10 175.61 1gpu s TRP 499 N -0.76 3.80 -0.40 5.22 0.52 0.51 -4.40 118.94 123.43 1gpu s TRP 499 Ca 0.24 1.79 0.06 0.00 0.02 0.00 0.00 56.10 58.22 1gpu s TRP 499 Cb -0.08 -3.10 0.22 0.00 -1.15 0.00 0.00 33.47 29.36 1gpu s TRP 499 CO -0.13 0.04 0.45 -2.13 0.02 0.00 0.00 176.95 175.21 1gpu n ARG 500 N 2.10 0.53 -1.68 4.98 0.63 -0.09 0.68 116.66 123.81 1gpu n ARG 500 Ca 0.01 -3.22 -0.45 0.00 -0.92 0.00 0.00 57.85 53.27 1gpu n ARG 500 Cb 0.47 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 31.95 1gpu n ARG 500 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1gpu n PRO 501 N 1.96 2.14 0.04 -0.14 -0.02 -1.26 -0.94 135.00 136.78 1gpu n PRO 501 Ca 0.25 0.76 -0.13 0.00 -2.02 0.00 0.00 63.50 62.36 1gpu n PRO 501 Cb 0.51 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 1gpu n PRO 501 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gpu h ALA 502 N 4.59 0.43 -2.52 3.55 0.00 -1.90 -3.39 119.26 120.03 1gpu h ALA 502 Ca -0.45 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.28 1gpu h ALA 502 Cb 1.26 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1gpu h ALA 502 CO 0.79 1.29 0.00 -0.40 0.00 0.00 0.00 179.25 180.93 1gpu n ASP 503 N -3.33 0.00 -0.06 0.00 5.75 -1.26 -4.70 116.55 112.95 1gpu n ASP 503 Ca -0.14 -0.76 -0.08 0.00 -0.01 0.00 0.00 54.79 53.80 1gpu n ASP 503 Cb 1.02 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 41.10 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 -0.19 1.04 6.12 0.00 -1.91 -0.60 103.07 107.53 1gpu h GLY 504 Ca 0.00 0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 1gpu h GLY 504 CO 0.00 -0.20 0.38 3.43 0.00 0.00 0.00 176.54 180.14 1gpu h ASN 505 N -0.26 1.10 0.01 0.19 2.35 -1.89 -2.50 115.58 114.58 1gpu h ASN 505 Ca 0.14 -0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1gpu h ASN 505 Cb 0.48 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1gpu h ASN 505 CO -0.42 0.94 -0.21 -0.33 -1.65 0.00 0.00 177.43 175.77 1gpu h GLU 506 N 1.18 0.35 -0.57 0.81 5.08 -1.73 -1.55 114.58 118.15 1gpu h GLU 506 Ca 0.28 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1gpu h GLU 506 Cb 0.15 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1gpu h GLU 506 CO -0.03 0.55 0.13 0.28 -1.00 0.00 0.00 179.01 178.94 1gpu h VAL 507 N 0.32 1.25 -0.42 3.13 2.07 -0.72 -0.41 116.25 121.46 1gpu h VAL 507 Ca 0.05 -0.90 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1gpu h VAL 507 Cb 0.55 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1gpu h VAL 507 CO 0.04 0.33 -0.05 0.28 0.02 0.00 0.00 177.57 178.19 1gpu h SER 508 N 0.83 0.69 -0.45 0.57 0.02 -1.04 -1.81 113.55 112.35 1gpu h SER 508 Ca 0.18 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1gpu h SER 508 Cb 0.36 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1gpu h SER 508 CO 0.00 0.79 0.02 0.00 -1.14 0.00 0.00 176.83 176.50 1gpu h ALA 509 N 1.28 0.60 -0.50 3.77 0.00 -0.90 0.93 119.26 124.45 1gpu h ALA 509 Ca 0.12 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gpu h ALA 509 Cb 0.49 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1gpu h ALA 509 CO 0.03 0.38 0.28 0.00 0.00 0.00 0.00 179.25 179.94 1gpu h ALA 510 N 0.92 0.64 -0.17 0.00 0.00 -0.77 -0.53 119.26 119.34 1gpu h ALA 510 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1gpu h ALA 510 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1gpu h ALA 510 CO 0.02 -0.04 -0.50 1.88 0.00 0.00 0.00 179.25 180.62 1gpu h TYR 511 N 0.56 0.58 0.33 0.00 0.05 -1.18 -1.13 116.97 116.17 1gpu h TYR 511 Ca 0.21 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1gpu h TYR 511 Cb 0.06 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1gpu h TYR 511 CO -0.08 0.87 -0.16 -0.22 -1.05 0.00 0.00 178.16 177.53 1gpu h LYS 512 N 0.37 -0.43 -0.68 4.88 3.64 -0.24 -0.98 116.57 123.12 1gpu h LYS 512 Ca 0.02 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.35 1gpu h LYS 512 Cb 1.00 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1gpu h LYS 512 CO 0.09 -0.23 0.15 -0.91 -2.27 0.00 0.00 179.45 176.28 1gpu h ASN 513 N -0.54 1.05 -0.39 4.20 4.21 -1.13 -1.98 115.58 121.00 1gpu h ASN 513 Ca -0.05 -0.23 -0.04 0.00 1.21 0.00 0.00 56.30 57.19 1gpu h ASN 513 Cb 0.40 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 1gpu h ASN 513 CO 0.07 1.02 0.09 0.28 -1.29 0.00 0.00 177.43 177.60 1gpu h SER 514 N 1.04 0.60 0.35 5.81 0.02 -1.11 -2.05 113.55 118.19 1gpu h SER 514 Ca 0.21 -0.24 -0.17 0.00 -0.84 0.00 0.00 61.79 60.75 1gpu h SER 514 Cb 0.39 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1gpu h SER 514 CO 0.01 0.68 -0.71 -0.07 -1.14 0.00 0.00 176.83 175.59 1gpu h LEU 515 N 0.48 0.38 -0.31 5.07 3.38 -1.14 -3.07 115.31 120.10 1gpu h LEU 515 Ca 0.12 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1gpu h LEU 515 Cb 0.32 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1gpu h LEU 515 CO 0.00 0.97 0.00 -0.33 0.09 0.00 0.00 178.44 179.17 1gpu h GLU 516 N 0.22 0.00 -6.78 1.13 5.08 -1.32 -3.45 114.58 109.45 1gpu h GLU 516 Ca -0.02 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.81 1gpu h GLU 516 Cb 1.28 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.60 1gpu h GLU 516 CO 0.12 0.00 0.87 0.45 -1.00 0.00 0.00 179.01 179.45 1gpu s SER 517 N -5.04 6.42 -0.11 1.42 0.15 -0.78 -4.93 113.70 110.84 1gpu s SER 517 Ca 0.07 2.89 0.14 0.00 0.70 0.00 0.00 55.95 59.76 1gpu s SER 517 Cb 0.09 -2.63 -0.20 0.00 -1.71 0.00 0.00 66.02 61.57 1gpu s SER 517 CO 0.57 -0.88 0.14 0.29 1.20 0.00 0.00 173.24 174.57 1gpu n LYS 518 N 2.30 1.24 0.00 5.44 5.02 -1.26 -4.74 118.16 126.15 1gpu n LYS 518 Ca 0.08 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1gpu n LYS 518 Cb 0.38 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.39 0.00 -4.13 2.13 8.25 -1.26 -4.44 115.22 113.37 1gpu n HIS 519 Ca -0.17 -0.20 -0.24 0.00 -0.26 0.00 0.00 57.72 56.84 1gpu n HIS 519 Cb 0.81 -0.02 -0.17 0.00 1.12 0.00 0.00 29.99 31.73 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 -0.41 0.89 0.96 1.59 2.01 -1.26 -4.28 115.64 115.14 1gpu s THR 520 Ca 0.00 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 61.61 1gpu s THR 520 Cb 0.00 -0.89 0.16 0.00 0.01 0.00 0.00 72.50 71.78 1gpu s THR 520 CO 0.00 0.33 1.11 -2.16 -0.69 0.00 0.00 174.62 173.21 1gpu s PRO 521 N 1.29 0.77 -0.04 4.92 0.04 -1.21 -4.37 135.00 136.41 1gpu s PRO 521 Ca -0.04 0.41 -0.05 0.00 0.04 0.00 0.00 61.00 61.36 1gpu s PRO 521 Cb -0.14 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1gpu s PRO 521 CO -0.03 -2.48 0.14 0.45 0.04 0.00 0.00 177.00 175.12 1gpu s SER 522 N -3.73 -0.09 -0.17 6.66 0.15 0.31 -1.57 113.70 115.26 1gpu s SER 522 Ca 0.65 0.13 0.01 0.00 0.70 0.00 0.00 55.95 57.43 1gpu s SER 522 Cb -0.17 0.26 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1gpu s SER 522 CO 0.56 -0.14 -0.19 -0.63 1.20 0.00 0.00 173.24 174.04 1gpu s ILE 523 N -0.36 1.95 -0.39 6.45 1.01 -0.21 -0.36 121.20 129.28 1gpu s ILE 523 Ca -0.04 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 1gpu s ILE 523 Cb -0.03 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.74 1gpu s ILE 523 CO 0.01 0.52 0.21 -0.63 0.00 0.00 0.00 174.94 175.04 1gpu s ILE 524 N 1.33 3.94 -0.26 2.92 1.01 0.11 -0.36 121.20 129.90 1gpu s ILE 524 Ca 0.05 -1.44 -0.27 0.00 0.00 0.00 0.00 60.65 58.99 1gpu s ILE 524 Cb -0.13 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 38.94 1gpu s ILE 524 CO -0.12 -0.45 0.97 0.00 0.00 0.00 0.00 174.94 175.34 1gpu s ALA 525 N 1.37 3.63 0.16 9.38 0.00 0.21 -1.39 121.76 135.12 1gpu s ALA 525 Ca 0.02 -0.00 0.10 0.00 0.00 0.00 0.00 51.96 52.09 1gpu s ALA 525 Cb -0.22 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1gpu s ALA 525 CO 0.01 -1.12 -0.21 -0.51 0.00 0.00 0.00 175.76 173.93 1gpu s LEU 526 N 3.17 2.54 0.26 0.00 1.43 0.69 -4.04 118.68 122.74 1gpu s LEU 526 Ca 0.41 -0.73 0.06 0.00 -1.03 0.00 0.00 54.13 52.84 1gpu s LEU 526 Cb -0.14 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.71 1gpu s LEU 526 CO 0.09 0.14 0.29 -0.94 0.23 0.00 0.00 176.35 176.16 1gpu s SER 527 N -2.44 5.84 -0.02 2.29 1.04 -1.26 -1.14 113.70 118.01 1gpu s SER 527 Ca 0.19 -0.14 0.19 0.00 0.48 0.00 0.00 55.95 56.66 1gpu s SER 527 Cb -0.09 -1.53 -0.28 0.00 0.10 0.00 0.00 66.02 64.22 1gpu s SER 527 CO 0.10 -0.11 0.45 -2.11 0.98 0.00 0.00 173.24 172.55 1gpu n ARG 528 N -1.32 0.61 -2.65 4.02 -4.01 -1.26 -1.81 116.66 110.24 1gpu n ARG 528 Ca -0.07 -0.15 -0.33 0.00 -1.04 0.00 0.00 57.85 56.26 1gpu n ARG 528 Cb 0.58 -1.43 -0.06 0.00 -3.04 0.00 0.00 32.46 28.51 1gpu n ARG 528 CO 0.00 0.00 0.00 1.14 -3.04 0.00 0.00 177.63 175.73 1gpu s GLN 529 N -3.24 4.10 0.30 2.89 0.00 -1.26 -4.74 119.66 117.71 1gpu s GLN 529 Ca -0.05 1.08 -0.29 0.00 -0.00 0.00 0.00 55.36 56.10 1gpu s GLN 529 Cb 0.12 -2.16 -0.10 0.00 0.00 0.00 0.00 33.01 30.88 1gpu s GLN 529 CO 0.77 -0.15 1.15 -0.80 0.00 0.00 0.00 175.29 176.27 1gpu s ASN 530 N -2.46 7.08 0.03 12.60 0.01 -1.26 -4.04 114.94 126.90 1gpu s ASN 530 Ca 0.61 2.37 0.04 0.00 -0.71 0.00 0.00 52.86 55.17 1gpu s ASN 530 Cb -0.10 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 1gpu s ASN 530 CO 0.20 -0.29 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.62 1gpu s LEU 531 N -1.64 2.15 0.59 0.60 1.43 -0.85 -4.86 118.68 116.10 1gpu s LEU 531 Ca 0.47 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 1gpu s LEU 531 Cb -0.33 -0.47 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1gpu s LEU 531 CO 0.43 -0.00 1.03 -2.16 0.23 0.00 0.00 176.35 175.88 1gpu s PRO 532 N -1.02 3.50 -0.38 1.29 0.04 -1.26 -0.54 135.00 136.63 1gpu s PRO 532 Ca -0.00 1.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 1gpu s PRO 532 Cb -0.07 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1gpu s PRO 532 CO 0.01 -0.65 1.20 -0.65 0.04 0.00 0.00 177.00 176.95 1gpu s GLN 533 N -4.35 3.84 0.36 4.56 -1.52 -1.26 -4.77 119.66 116.52 1gpu s GLN 533 Ca 0.60 0.93 -0.28 0.00 -1.95 0.00 0.00 55.36 54.66 1gpu s GLN 533 Cb -0.13 -3.87 -0.10 0.00 -0.22 0.00 0.00 33.01 28.69 1gpu s GLN 533 CO 0.40 -1.22 1.33 -0.51 -0.25 0.00 0.00 175.29 175.04 1gpu s LEU 534 N 4.37 4.34 -0.42 2.90 1.43 -1.26 -4.23 118.68 125.81 1gpu s LEU 534 Ca 0.51 2.72 -0.26 0.00 -1.03 0.00 0.00 54.13 56.08 1gpu s LEU 534 Cb -0.12 -3.74 0.02 0.00 0.03 0.00 0.00 46.19 42.39 1gpu s LEU 534 CO 0.25 -0.68 0.93 -0.70 0.23 0.00 0.00 176.35 176.39 1gpu s GLU 535 N -1.98 3.67 0.00 1.70 2.56 -1.26 -3.35 118.70 120.04 1gpu s GLU 535 Ca 0.52 0.35 0.00 0.00 0.00 0.00 0.00 54.97 55.84 1gpu s GLU 535 Cb -0.40 -3.87 0.00 0.00 2.00 0.00 0.00 34.13 31.86 1gpu s GLU 535 CO 0.53 -1.12 0.00 0.41 -0.56 0.00 0.00 175.26 174.52 1gpu n GLY 536 N 4.71 1.11 3.91 -1.50 0.00 -1.26 -4.72 105.19 107.44 1gpu n GLY 536 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.05 6.41 -0.10 1.61 1.04 -1.21 -4.76 113.70 115.64 1gpu s SER 537 Ca 0.00 0.72 -0.30 0.00 0.48 0.00 0.00 55.95 56.85 1gpu s SER 537 Cb 0.00 -2.15 0.11 0.00 0.10 0.00 0.00 66.02 64.08 1gpu s SER 537 CO 0.00 -0.25 0.91 -0.94 0.98 0.00 0.00 173.24 173.94 1gpu s SER 538 N -3.36 -0.42 0.16 7.02 1.04 -1.26 -4.98 113.70 111.90 1gpu s SER 538 Ca 0.44 0.37 -0.15 0.00 0.48 0.00 0.00 55.95 57.08 1gpu s SER 538 Cb -0.10 0.36 0.07 0.00 0.10 0.00 0.00 66.02 66.45 1gpu s SER 538 CO 0.32 -0.46 1.78 0.40 0.98 0.00 0.00 173.24 176.26 1gpu h ILE 539 N 2.51 0.98 -0.19 -1.02 2.04 -1.97 -1.08 117.51 118.77 1gpu h ILE 539 Ca -0.21 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.56 1gpu h ILE 539 Cb 1.18 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 1gpu h ILE 539 CO 0.32 0.08 -0.15 -0.08 0.00 0.00 0.00 178.15 178.33 1gpu h GLU 540 N 0.43 -0.14 -0.28 2.37 4.81 -1.96 0.39 114.58 120.19 1gpu h GLU 540 Ca 0.18 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.31 1gpu h GLU 540 Cb 0.08 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1gpu h GLU 540 CO -0.12 -0.10 -0.26 0.77 -0.73 0.00 0.00 179.01 178.58 1gpu h SER 541 N -0.15 0.72 0.48 1.04 0.02 -1.93 -3.07 113.55 110.66 1gpu h SER 541 Ca 0.11 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 1gpu h SER 541 Cb 0.32 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 1gpu h SER 541 CO -0.28 1.03 -0.16 0.00 -1.14 0.00 0.00 176.83 176.27 1gpu h ALA 542 N 0.71 1.24 0.00 3.77 0.00 -1.04 -2.00 119.26 121.94 1gpu h ALA 542 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1gpu h ALA 542 Cb 0.82 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1gpu h ALA 542 CO 0.06 0.20 0.00 0.43 0.00 0.00 0.00 179.25 179.95 1gpu n SER 543 N -3.63 0.00 -0.56 0.00 7.64 0.11 -1.37 113.62 115.82 1gpu n SER 543 Ca -0.01 0.42 0.12 0.00 1.01 0.00 0.00 58.87 60.41 1gpu n SER 543 Cb 0.29 -0.46 0.43 0.00 -1.01 0.00 0.00 64.21 63.47 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 -1.46 1.76 0.00 1.43 5.02 -0.75 -4.94 118.16 119.22 1gpu n LYS 544 Ca 0.04 -1.12 0.00 0.00 -2.02 0.00 0.00 58.31 55.21 1gpu n LYS 544 Cb 0.13 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.18 2.70 3.61 0.72 0.00 -0.47 -3.43 105.19 109.50 1gpu n GLY 545 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.49 -0.45 0.19 -0.02 0.00 -1.26 -1.65 107.32 103.64 1gpu s GLY 546 Ca 0.00 2.06 -0.24 0.00 0.00 0.00 0.00 44.72 46.54 1gpu s GLY 546 CO 0.00 1.62 0.90 -2.52 0.00 0.00 0.00 173.10 173.10 1gpu s TYR 547 N 0.05 -0.14 -0.42 1.90 1.13 -0.53 -4.95 117.35 114.40 1gpu s TYR 547 Ca -0.01 -0.21 -0.24 0.00 -1.41 0.00 0.00 57.07 55.20 1gpu s TYR 547 Cb -0.04 0.66 0.02 0.00 -1.10 0.00 0.00 41.96 41.50 1gpu s TYR 547 CO 0.01 -0.94 0.86 0.08 -2.51 0.00 0.00 175.55 173.05 1gpu s VAL 548 N -3.43 4.59 -0.12 -3.49 1.01 -1.26 -1.31 120.40 116.39 1gpu s VAL 548 Ca 0.12 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 1gpu s VAL 548 Cb -0.03 -4.34 -0.21 0.00 0.00 0.00 0.00 36.38 31.80 1gpu s VAL 548 CO 0.04 -0.66 0.71 0.25 0.00 0.00 0.00 175.10 175.44 1gpu h LEU 549 N 10.19 -0.01 -7.63 3.92 5.85 -1.24 -3.44 115.31 122.95 1gpu h LEU 549 Ca -0.24 -0.78 -0.60 0.00 0.84 0.00 0.00 57.88 57.10 1gpu h LEU 549 Cb 1.08 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.74 1gpu h LEU 549 CO 0.98 0.85 -0.79 -1.58 -0.34 0.00 0.00 178.44 177.55 1gpu s GLN 550 N -2.38 1.60 0.37 1.25 0.74 -0.88 -4.49 119.66 115.88 1gpu s GLN 550 Ca -0.16 -0.91 0.02 0.00 0.05 0.00 0.00 55.36 54.36 1gpu s GLN 550 Cb -0.02 -2.51 -0.02 0.00 1.10 0.00 0.00 33.01 31.57 1gpu s GLN 550 CO 0.58 -0.57 0.56 0.34 -0.55 0.00 0.00 175.29 175.64 1gpu s ASP 551 N 1.43 6.04 -0.22 6.67 -1.08 -1.26 -0.61 116.67 127.64 1gpu s ASP 551 Ca -0.05 0.19 -0.27 0.00 -0.52 0.00 0.00 52.55 51.90 1gpu s ASP 551 Cb -0.18 -1.62 0.09 0.00 -1.46 0.00 0.00 42.92 39.74 1gpu s ASP 551 CO -0.07 -0.46 0.82 0.54 0.52 0.00 0.00 175.17 176.52 1gpu s VAL 552 N -2.34 0.00 0.23 1.11 0.11 -1.26 -4.96 120.40 113.29 1gpu s VAL 552 Ca 0.44 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.19 1gpu s VAL 552 Cb -0.10 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.66 1gpu s VAL 552 CO 0.35 0.00 1.27 0.00 -3.33 0.00 0.00 175.10 173.39 1gpu s ALA 553 N -0.11 3.50 -1.04 1.54 0.00 -1.26 -3.89 121.76 120.51 1gpu s ALA 553 Ca -0.02 1.10 -0.18 0.00 0.00 0.00 0.00 51.96 52.86 1gpu s ALA 553 Cb -0.04 -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 0.68 0.09 0.00 0.00 0.00 175.76 176.04 1gpu n ASN 554 N 2.14 -4.81 -4.75 0.00 4.13 -1.26 -4.90 115.26 105.82 1gpu n ASN 554 Ca 0.04 -1.07 -0.35 0.00 1.68 0.00 0.00 54.58 54.88 1gpu n ASN 554 Cb 0.43 -2.16 0.06 0.00 -1.54 0.00 0.00 39.78 36.57 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 -6.07 2.63 0.28 3.52 0.04 -1.25 -4.91 135.00 129.24 1gpu s PRO 555 Ca 0.29 1.71 0.23 0.00 0.04 0.00 0.00 61.00 63.27 1gpu s PRO 555 Cb -0.14 -1.90 0.14 0.00 0.04 0.00 0.00 34.50 32.64 1gpu s PRO 555 CO 0.92 -1.45 1.26 -0.44 0.04 0.00 0.00 177.00 177.33 1gpu h ASP 556 N 0.27 0.00 -4.66 6.66 3.32 -0.22 -3.48 116.42 118.32 1gpu h ASP 556 Ca -0.49 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.59 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 0.53 0.00 0.38 -0.51 -1.72 0.00 0.00 179.24 177.92 1gpu s ILE 557 N -3.30 0.00 -0.14 0.35 2.07 -1.07 -4.40 121.20 114.70 1gpu s ILE 557 Ca 0.02 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.26 1gpu s ILE 557 Cb 0.08 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1gpu s ILE 557 CO 0.74 0.00 -0.12 -0.63 -1.91 0.00 0.00 174.94 173.02 1gpu s ILE 558 N -2.24 3.05 -0.33 2.00 1.01 -0.15 -1.59 121.20 122.94 1gpu s ILE 558 Ca -0.01 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 1gpu s ILE 558 Cb -0.01 -2.29 -0.00 0.00 0.01 0.00 0.00 42.46 40.17 1gpu s ILE 558 CO -0.02 0.51 0.18 -0.76 0.00 0.00 0.00 174.94 174.85 1gpu s LEU 559 N 0.55 4.30 -0.22 2.97 1.43 0.31 -1.32 118.68 126.71 1gpu s LEU 559 Ca -0.08 -0.59 -0.06 0.00 -1.03 0.00 0.00 54.13 52.37 1gpu s LEU 559 Cb -0.16 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1gpu s LEU 559 CO 0.04 -0.24 0.03 0.54 0.23 0.00 0.00 176.35 176.94 1gpu s VAL 560 N 1.62 4.12 0.29 -1.59 0.11 -0.67 -0.37 120.40 123.91 1gpu s VAL 560 Ca 0.04 -0.25 0.04 0.00 -2.93 0.00 0.00 61.98 58.89 1gpu s VAL 560 Cb -0.17 -2.88 -0.03 0.00 -1.53 0.00 0.00 36.38 31.76 1gpu s VAL 560 CO 0.07 0.40 0.24 0.00 -3.33 0.00 0.00 175.10 172.49 1gpu s ALA 561 N 1.17 1.60 0.08 1.54 0.00 -0.33 -0.75 121.76 125.07 1gpu s ALA 561 Ca 0.03 -1.93 -0.00 0.00 0.00 0.00 0.00 51.96 50.06 1gpu s ALA 561 Cb -0.14 1.44 -0.04 0.00 0.00 0.00 0.00 23.12 24.37 1gpu s ALA 561 CO 0.02 -0.65 -0.02 0.95 0.00 0.00 0.00 175.76 176.07 1gpu s THR 562 N -3.65 0.31 0.00 0.00 -4.23 -1.24 -0.91 115.64 105.92 1gpu s THR 562 Ca 0.40 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1gpu s THR 562 Cb 0.04 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1gpu s THR 562 CO 0.23 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 1gpu n GLY 563 N 0.02 2.46 0.30 3.99 0.00 -0.12 -1.24 105.19 110.59 1gpu n GLY 563 Ca -0.11 0.04 0.19 0.00 0.00 0.00 0.00 46.02 46.15 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 0.49 1.61 4.64 -1.84 -2.20 113.55 116.25 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 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.16 1gpu n GLU 565 N -2.86 0.45 -0.02 4.77 4.71 -0.37 -3.57 120.64 123.74 1gpu n GLU 565 Ca -0.03 -0.17 -0.13 0.00 -0.01 0.00 0.00 57.16 56.82 1gpu n GLU 565 Cb 0.08 -1.50 -0.10 0.00 -1.01 0.00 0.00 31.44 28.92 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 0.42 1.40 -0.76 2.62 2.07 -1.39 -0.25 116.25 120.35 1gpu h VAL 566 Ca 0.00 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1gpu h VAL 566 Cb 0.42 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1gpu h VAL 566 CO 0.00 0.32 0.43 0.77 0.02 0.00 0.00 177.57 179.11 1gpu h SER 567 N -0.43 0.92 -0.90 0.57 4.64 -1.75 0.12 113.55 116.72 1gpu h SER 567 Ca 0.00 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1gpu h SER 567 Cb 0.54 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.35 1gpu h SER 567 CO 0.01 0.73 0.51 0.25 -0.87 0.00 0.00 176.83 177.46 1gpu h LEU 568 N 1.05 1.11 -0.82 5.97 5.85 -1.58 -0.98 115.31 125.90 1gpu h LEU 568 Ca 0.27 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 1gpu h LEU 568 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1gpu h LEU 568 CO -0.05 0.88 -0.50 0.28 -0.34 0.00 0.00 178.44 178.71 1gpu h SER 569 N 1.25 0.25 -0.50 1.25 0.02 0.12 0.21 113.55 116.14 1gpu h SER 569 Ca 0.32 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1gpu h SER 569 Cb -0.00 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1gpu h SER 569 CO -0.05 0.71 0.03 0.58 -1.14 0.00 0.00 176.83 176.95 1gpu h VAL 570 N 0.18 1.26 -0.34 2.27 2.07 -0.38 -0.13 116.25 121.18 1gpu h VAL 570 Ca 0.01 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.37 1gpu h VAL 570 Cb 0.94 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1gpu h VAL 570 CO 0.08 0.36 -0.28 -0.33 0.02 0.00 0.00 177.57 177.42 1gpu h GLU 571 N 0.74 0.71 -0.48 1.57 4.39 -0.92 -2.45 114.58 118.14 1gpu h GLU 571 Ca 0.15 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 1gpu h GLU 571 Cb 0.48 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1gpu h GLU 571 CO 0.02 0.91 0.15 0.00 -1.16 0.00 0.00 179.01 178.94 1gpu h ALA 572 N 1.07 1.37 -0.40 3.43 0.00 -0.60 -1.62 119.26 122.51 1gpu h ALA 572 Ca 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1gpu h ALA 572 Cb 0.79 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1gpu h ALA 572 CO 0.07 0.46 0.14 0.00 0.00 0.00 0.00 179.25 179.92 1gpu h ALA 573 N 1.48 1.50 -0.42 0.00 0.00 -0.56 -0.20 119.26 121.06 1gpu h ALA 573 Ca 0.16 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1gpu h ALA 573 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1gpu h ALA 573 CO -0.01 0.38 0.00 0.87 0.00 0.00 0.00 179.25 180.50 1gpu h LYS 574 N 0.56 0.74 -0.48 0.00 1.57 -1.02 0.10 116.57 118.04 1gpu h LYS 574 Ca 0.14 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1gpu h LYS 574 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1gpu h LYS 574 CO -0.01 0.81 0.27 1.15 -0.57 0.00 0.00 179.45 181.10 1gpu h THR 575 N 0.57 1.16 -0.70 -0.16 2.02 -0.96 -1.70 112.91 113.15 1gpu h THR 575 Ca 0.12 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.83 1gpu h THR 575 Cb 0.48 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1gpu h THR 575 CO 0.02 0.17 0.20 -0.07 0.37 0.00 0.00 175.52 176.21 1gpu h LEU 576 N 0.64 1.04 -1.36 2.58 3.38 -0.83 -2.52 115.31 118.25 1gpu h LEU 576 Ca 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1gpu h LEU 576 Cb 0.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1gpu h LEU 576 CO -0.03 0.99 0.20 0.00 0.09 0.00 0.00 178.44 179.69 1gpu h ALA 577 N 1.09 1.50 0.00 1.53 0.00 -0.47 0.88 119.26 123.79 1gpu h ALA 577 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gpu h ALA 577 Cb 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1gpu h ALA 577 CO -0.00 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.64 1gpu h ALA 578 N 1.58 1.00 -0.38 0.00 0.00 -0.86 -0.45 119.26 120.16 1gpu h ALA 578 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1gpu h ALA 578 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 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 -2.55 3.31 -3.40 0.00 5.02 0.10 -4.95 118.16 115.69 1gpu n LYS 579 Ca -0.00 -2.75 -0.23 0.00 -2.02 0.00 0.00 58.31 53.31 1gpu n LYS 579 Cb 0.16 -1.80 0.07 0.00 -0.02 0.00 0.00 35.03 33.43 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 0.07 -6.17 -4.22 4.39 2.85 -0.18 -5.00 115.26 107.01 1gpu n ASN 580 Ca 0.21 -0.45 -0.32 0.00 -0.11 0.00 0.00 54.58 53.91 1gpu n ASN 580 Cb 0.85 -4.85 -0.17 0.00 1.24 0.00 0.00 39.78 36.85 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 -3.27 2.08 -0.23 -1.44 1.01 -0.02 -4.99 121.20 114.34 1gpu s ILE 581 Ca 0.49 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.99 1gpu s ILE 581 Cb -0.22 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1gpu s ILE 581 CO 0.61 0.56 0.34 -0.54 0.00 0.00 0.00 174.94 175.91 1gpu s LYS 582 N 0.40 4.11 -0.12 2.79 1.02 -1.26 -2.69 119.74 124.00 1gpu s LYS 582 Ca -0.17 0.06 0.02 0.00 0.02 0.00 0.00 55.97 55.89 1gpu s LYS 582 Cb -0.18 -3.57 0.01 0.00 -0.52 0.00 0.00 37.83 33.58 1gpu s LYS 582 CO 0.08 -0.08 -0.16 0.00 -0.92 0.00 0.00 175.35 174.26 1gpu s ALA 583 N 1.46 1.80 -0.01 5.17 0.00 -1.26 0.58 121.76 129.49 1gpu s ALA 583 Ca 0.16 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 1gpu s ALA 583 Cb -0.15 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1gpu s ALA 583 CO 0.08 -0.10 0.52 0.50 0.00 0.00 0.00 175.76 176.77 1gpu s ARG 584 N 1.00 4.21 -0.21 0.00 3.52 -0.62 -4.81 118.95 122.05 1gpu s ARG 584 Ca -0.06 0.61 -0.05 0.00 -0.13 0.00 0.00 55.73 56.09 1gpu s ARG 584 Cb -0.15 -3.31 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 1gpu s ARG 584 CO -0.02 0.45 0.01 0.08 -0.81 0.00 0.00 175.30 175.01 1gpu s VAL 585 N -0.40 4.04 -0.12 7.11 1.01 0.22 -0.53 120.40 131.74 1gpu s VAL 585 Ca 0.28 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 1gpu s VAL 585 Cb -0.17 -2.83 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1gpu s VAL 585 CO 0.15 0.42 -0.09 -0.69 0.00 0.00 0.00 175.10 174.89 1gpu s VAL 586 N 1.05 3.48 -0.18 2.92 1.01 0.50 -0.75 120.40 128.43 1gpu s VAL 586 Ca 0.02 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 1gpu s VAL 586 Cb -0.14 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1gpu s VAL 586 CO 0.02 0.54 0.03 -0.55 0.00 0.00 0.00 175.10 175.13 1gpu s SER 587 N -0.01 5.30 -0.65 3.32 0.15 -0.42 -1.19 113.70 120.20 1gpu s SER 587 Ca -0.01 -0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.68 1gpu s SER 587 Cb -0.14 -1.90 0.24 0.00 -1.71 0.00 0.00 66.02 62.51 1gpu s SER 587 CO 0.03 0.16 0.71 0.18 1.20 0.00 0.00 173.24 175.52 1gpu n LEU 588 N 3.62 3.64 -0.33 3.45 4.77 -0.09 -1.45 117.00 130.61 1gpu n LEU 588 Ca -0.17 -5.41 0.16 0.00 -0.03 0.00 0.00 56.01 50.57 1gpu n LEU 588 Cb 0.52 -0.67 0.40 0.00 -2.33 0.00 0.00 43.42 41.33 1gpu n LEU 588 CO 0.34 2.01 1.20 -0.65 -1.33 0.00 0.00 177.39 178.96 1gpu h PRO 589 N 4.36 0.60 -2.27 3.23 0.11 -1.65 -3.41 132.00 132.97 1gpu h PRO 589 Ca 0.19 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 1gpu h PRO 589 Cb 0.68 -0.13 -0.29 0.00 0.11 0.00 0.00 31.00 31.36 1gpu h PRO 589 CO 0.82 0.39 -0.44 0.34 -0.21 0.00 0.00 178.00 178.90 1gpu s ASP 590 N -5.39 0.05 0.14 -2.05 2.15 -0.66 -0.91 116.67 110.01 1gpu s ASP 590 Ca -0.10 0.59 -0.20 0.00 0.43 0.00 0.00 52.55 53.27 1gpu s ASP 590 Cb 0.25 1.17 0.01 0.00 -0.30 0.00 0.00 42.92 44.05 1gpu s ASP 590 CO 0.80 -0.26 1.67 -0.26 -0.17 0.00 0.00 175.17 176.95 1gpu h PHE 591 N 8.19 -0.29 -0.03 -5.34 -1.00 -1.79 -0.64 116.94 116.05 1gpu h PHE 591 Ca -0.17 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.67 1gpu h PHE 591 Cb 1.13 0.16 -0.05 0.00 3.61 0.00 0.00 35.95 40.80 1gpu h PHE 591 CO 0.22 -0.18 -0.34 0.35 -1.61 0.00 0.00 178.31 176.75 1gpu h PHE 592 N -0.09 -0.94 -0.78 -0.55 3.57 -1.90 0.12 116.94 116.36 1gpu h PHE 592 Ca 0.12 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1gpu h PHE 592 Cb 0.28 0.42 -0.04 0.00 2.79 0.00 0.00 35.95 39.40 1gpu h PHE 592 CO -0.29 -0.43 0.40 1.15 -2.23 0.00 0.00 178.31 176.92 1gpu h THR 593 N -0.48 1.24 -0.12 4.41 2.02 -1.86 -2.42 112.91 115.70 1gpu h THR 593 Ca 0.07 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 1gpu h THR 593 Cb 0.58 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1gpu h THR 593 CO -0.29 0.28 0.08 0.15 0.37 0.00 0.00 175.52 176.10 1gpu h PHE 594 N 1.09 0.16 0.00 3.16 3.57 -0.63 -2.16 116.94 122.13 1gpu h PHE 594 Ca 0.27 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 1gpu h PHE 594 Cb 0.08 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1gpu h PHE 594 CO 0.01 0.13 -0.00 -0.44 -2.23 0.00 0.00 178.31 175.77 1gpu h ASP 595 N 0.14 0.00 1.60 0.41 3.32 -0.51 -1.46 116.42 119.92 1gpu h ASP 595 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1gpu h ASP 595 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1gpu h ASP 595 CO -0.01 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 177.63 1gpu h LYS 596 N 0.00 0.00 -7.22 3.56 1.79 -0.90 -3.46 116.57 110.34 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 0.02 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.78 1gpu h LYS 596 CO 0.00 0.00 0.36 -0.65 -1.08 0.00 0.00 179.45 178.08 1gpu s GLN 597 N -3.38 2.65 0.51 3.15 -1.52 -0.55 -4.97 119.66 115.55 1gpu s GLN 597 Ca 0.05 1.37 -0.23 0.00 -1.95 0.00 0.00 55.36 54.60 1gpu s GLN 597 Cb 0.07 -1.93 -0.06 0.00 -0.22 0.00 0.00 33.01 30.87 1gpu s GLN 597 CO 0.62 -1.37 1.34 -1.25 -0.25 0.00 0.00 175.29 174.38 1gpu s PRO 598 N -4.24 3.36 0.34 2.91 0.04 -1.26 -4.77 135.00 131.38 1gpu s PRO 598 Ca 0.66 2.20 0.12 0.00 0.04 0.00 0.00 61.00 64.02 1gpu s PRO 598 Cb -0.20 -2.37 0.92 0.00 0.04 0.00 0.00 34.50 32.88 1gpu s PRO 598 CO 0.45 -1.00 1.76 1.25 0.04 0.00 0.00 177.00 179.50 1gpu h LEU 599 N 1.75 0.63 -0.44 -3.56 5.85 -1.93 0.15 115.31 117.77 1gpu h LEU 599 Ca -0.51 0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.39 1gpu h LEU 599 Cb 1.28 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 1gpu h LEU 599 CO 0.59 0.16 0.03 -0.33 -0.34 0.00 0.00 178.44 178.54 1gpu h GLU 600 N 0.57 0.14 -0.05 1.25 5.08 -1.99 -0.13 114.58 119.45 1gpu h GLU 600 Ca 0.60 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.94 1gpu h GLU 600 Cb 1.20 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1gpu h GLU 600 CO -0.37 0.10 -0.00 -0.92 -1.00 0.00 0.00 179.01 176.81 1gpu h TYR 601 N 0.15 0.11 -0.87 4.33 3.20 -1.34 -2.56 116.97 119.99 1gpu h TYR 601 Ca 0.22 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.16 1gpu h TYR 601 Cb 0.30 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 1gpu h TYR 601 CO -0.26 0.40 0.51 0.00 -1.64 0.00 0.00 178.16 177.17 1gpu h ARG 602 N -0.21 0.83 0.00 1.82 3.08 -1.03 -0.07 114.38 118.80 1gpu h ARG 602 Ca 0.01 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1gpu h ARG 602 Cb 0.36 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1gpu h ARG 602 CO 0.00 0.55 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.16 1gpu h LEU 603 N 0.86 0.00 -1.00 3.04 3.38 -0.99 0.30 115.31 120.89 1gpu h LEU 603 Ca 0.42 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.32 1gpu h LEU 603 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1gpu h LEU 603 CO -0.24 0.23 -0.33 0.77 0.09 0.00 0.00 178.44 178.96 1gpu h SER 604 N 0.00 0.00 0.18 -0.43 4.64 -0.59 -1.29 113.55 116.06 1gpu h SER 604 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1gpu h SER 604 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1gpu h SER 604 CO 0.03 0.33 -1.83 0.58 -0.87 0.00 0.00 176.83 175.06 1gpu h VAL 605 N 0.00 0.83 -2.47 0.95 2.07 -0.89 -3.41 116.25 113.33 1gpu h VAL 605 Ca -0.00 -2.46 -0.60 0.00 0.82 0.00 0.00 66.70 64.46 1gpu h VAL 605 Cb 0.84 2.68 -0.40 0.00 -1.52 0.00 0.00 31.29 32.89 1gpu h VAL 605 CO 0.04 0.87 -0.78 0.18 0.02 0.00 0.00 177.57 177.91 1gpu n LEU 606 N -3.55 1.82 -4.85 2.57 4.77 0.02 -4.94 117.00 112.84 1gpu n LEU 606 Ca -0.27 -4.97 -0.30 0.00 -0.03 0.00 0.00 56.01 50.44 1gpu n LEU 606 Cb 1.07 -0.15 0.18 0.00 -2.33 0.00 0.00 43.42 42.19 1gpu n LEU 606 CO 0.49 1.92 0.80 -2.16 -1.33 0.00 0.00 177.39 177.11 1gpu s PRO 607 N -1.31 0.48 0.77 3.23 0.04 -0.49 -4.57 135.00 133.16 1gpu s PRO 607 Ca 0.33 -0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.04 1gpu s PRO 607 Cb 0.07 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.97 1gpu s PRO 607 CO -0.13 -2.55 1.05 -0.25 0.04 0.00 0.00 177.00 175.17 1gpu n ASP 608 N -3.91 0.28 -2.08 6.66 8.00 -1.26 -4.17 116.55 120.08 1gpu n ASP 608 Ca 0.13 -1.51 -0.20 0.00 0.71 0.00 0.00 54.79 53.92 1gpu n ASP 608 Cb 0.60 -0.79 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 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 -3.56 -5.71 -3.64 -2.24 3.02 0.74 -4.89 115.26 98.97 1gpu n ASN 609 Ca 0.14 0.16 -0.08 0.00 -0.03 0.00 0.00 54.58 54.77 1gpu n ASN 609 Cb 0.48 -4.82 -0.07 0.00 -0.61 0.00 0.00 39.78 34.76 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 -2.93 -0.00 0.37 2.41 0.11 -1.26 -4.90 120.40 114.19 1gpu s VAL 610 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 1gpu s VAL 610 Cb 0.00 -0.98 -0.09 0.00 -1.53 0.00 0.00 36.38 33.77 1gpu s VAL 610 CO 0.00 0.00 1.29 -2.16 -3.33 0.00 0.00 175.10 170.91 1gpu s PRO 611 N 1.44 4.17 -0.14 1.54 0.04 -1.26 -4.84 135.00 135.95 1gpu s PRO 611 Ca -0.08 2.16 0.02 0.00 0.04 0.00 0.00 61.00 63.13 1gpu s PRO 611 Cb -0.05 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.59 1gpu s PRO 611 CO -0.17 -0.32 -0.19 0.42 0.04 0.00 0.00 177.00 176.78 1gpu s ILE 612 N -1.21 1.86 -0.12 0.56 1.01 -1.26 -0.98 121.20 121.06 1gpu s ILE 612 Ca 0.53 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.36 1gpu s ILE 612 Cb -0.38 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1gpu s ILE 612 CO 0.50 0.51 -0.21 -0.32 0.00 0.00 0.00 174.94 175.42 1gpu s MET 613 N 1.05 2.81 0.29 2.79 1.75 -0.43 -0.59 119.30 126.98 1gpu s MET 613 Ca -0.03 -0.78 -0.13 0.00 -1.25 0.00 0.00 55.69 53.50 1gpu s MET 613 Cb -0.14 -2.25 -0.08 0.00 2.84 0.00 0.00 34.83 35.20 1gpu s MET 613 CO -0.06 0.03 0.67 -1.54 -0.65 0.00 0.00 175.02 173.47 1gpu s SER 614 N 0.72 6.71 -0.16 1.11 1.04 -0.36 -1.67 113.70 121.10 1gpu s SER 614 Ca -0.10 1.14 -0.03 0.00 0.48 0.00 0.00 55.95 57.44 1gpu s SER 614 Cb -0.16 -2.32 0.05 0.00 0.10 0.00 0.00 66.02 63.70 1gpu s SER 614 CO 0.01 -0.17 0.05 -0.69 0.98 0.00 0.00 173.24 173.42 1gpu s VAL 615 N -1.95 0.29 -0.29 5.02 1.01 0.07 -0.59 120.40 123.97 1gpu s VAL 615 Ca 0.52 -0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 1gpu s VAL 615 Cb -0.11 -0.76 0.11 0.00 0.00 0.00 0.00 36.38 35.62 1gpu s VAL 615 CO 0.19 -0.12 0.77 -0.70 0.00 0.00 0.00 175.10 175.24 1gpu s GLU 616 N 1.98 0.59 0.00 2.72 2.12 -0.98 -3.59 118.70 121.54 1gpu s GLU 616 Ca 0.01 1.10 -0.01 0.00 0.36 0.00 0.00 54.97 56.43 1gpu s GLU 616 Cb -0.16 0.25 -0.06 0.00 0.26 0.00 0.00 34.13 34.42 1gpu s GLU 616 CO -0.07 -0.14 1.81 1.33 -0.54 0.00 0.00 175.26 177.65 1gpu n VAL 617 N 4.38 1.61 -4.02 3.70 0.24 -1.26 -4.06 118.33 118.92 1gpu n VAL 617 Ca -0.18 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.34 61.45 1gpu n VAL 617 Cb 0.57 -1.52 -0.03 0.00 -1.47 0.00 0.00 33.84 31.39 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 2.00 0.00 -4.54 1.34 4.32 -1.26 -4.62 117.00 114.24 1gpu n LEU 618 Ca 0.10 -1.58 -0.40 0.00 -0.02 0.00 0.00 56.01 54.11 1gpu n LEU 618 Cb 0.44 1.05 0.02 0.00 -1.62 0.00 0.00 43.42 43.32 1gpu n LEU 618 CO 0.06 -0.30 0.33 0.00 -1.22 0.00 0.00 177.39 176.25 1gpu n ALA 619 N -1.81 -0.57 1.02 -1.18 0.00 0.11 -0.96 120.51 117.13 1gpu n ALA 619 Ca -0.06 0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1gpu n ALA 619 Cb 0.31 -1.95 0.01 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.03 0.00 -0.27 0.00 -2.24 -1.26 -4.54 114.28 104.93 1gpu n THR 620 Ca 0.11 -0.10 0.33 0.00 -2.27 0.00 0.00 64.05 62.12 1gpu n THR 620 Cb 0.42 0.94 0.74 0.00 -2.10 0.00 0.00 70.33 70.33 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 0.96 0.46 -0.03 4.28 1.35 -1.96 -1.25 112.91 116.73 1gpu h THR 621 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1gpu h THR 621 Cb 0.59 0.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1gpu h THR 621 CO 0.00 0.00 -0.06 0.00 -0.25 0.00 0.00 175.52 175.21 1gpu n TRP 623 N 0.96 0.00 0.33 0.00 7.02 -0.47 -4.06 117.44 121.22 1gpu n TRP 623 Ca 0.14 0.00 0.21 0.00 -1.02 0.00 0.00 57.50 56.84 1gpu n TRP 623 Cb 0.54 -0.29 1.16 0.00 -2.42 0.00 0.00 31.31 30.30 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 -1.59 103.07 113.66 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 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1gpu h LYS 625 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1gpu h LYS 625 CO -0.00 0.00 -0.78 0.66 -2.00 0.00 0.00 179.45 177.33 1gpu n TYR 626 N -2.55 0.00 -4.28 0.07 4.01 -0.68 -3.91 117.16 109.82 1gpu n TYR 626 Ca 0.03 0.00 -0.20 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 -1.69 1.71 0.06 -0.72 0.00 -0.72 -4.58 121.76 115.82 1gpu s ALA 627 Ca 0.00 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 1gpu s ALA 627 Cb 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 23.12 22.70 1gpu s ALA 627 CO 0.00 0.15 1.09 0.45 0.00 0.00 0.00 175.76 177.46 1gpu h HIS 628 N 3.39 0.79 -3.78 0.00 3.86 -1.17 -3.41 115.15 114.82 1gpu h HIS 628 Ca -0.41 -0.55 -0.36 0.00 -1.16 0.00 0.00 60.37 57.90 1gpu h HIS 628 Cb 1.20 -0.04 -0.19 0.00 1.06 0.00 0.00 27.41 29.44 1gpu h HIS 628 CO 0.66 1.42 -0.75 -0.65 0.86 0.00 0.00 177.93 179.47 1gpu s GLN 629 N -2.74 0.84 -0.03 2.45 -1.52 -0.98 -5.05 119.66 112.64 1gpu s GLN 629 Ca -0.07 -1.08 0.01 0.00 -1.95 0.00 0.00 55.36 52.27 1gpu s GLN 629 Cb 0.06 -0.65 0.01 0.00 -0.22 0.00 0.00 33.01 32.21 1gpu s GLN 629 CO 0.92 0.12 -0.04 -1.12 -0.25 0.00 0.00 175.29 174.92 1gpu s SER 630 N -2.18 0.77 -0.37 5.90 0.01 -1.26 -1.22 113.70 115.34 1gpu s SER 630 Ca 0.03 -0.11 -0.06 0.00 1.31 0.00 0.00 55.95 57.12 1gpu s SER 630 Cb -0.06 -0.29 0.06 0.00 0.21 0.00 0.00 66.02 65.94 1gpu s SER 630 CO 0.01 -0.02 0.15 0.12 0.41 0.00 0.00 173.24 173.92 1gpu s PHE 631 N 0.58 3.34 0.00 2.43 5.36 0.24 -4.93 117.98 125.00 1gpu s PHE 631 Ca -0.07 -1.68 0.00 0.00 -0.96 0.00 0.00 56.93 54.22 1gpu s PHE 631 Cb -0.11 -2.61 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 0.00 175.22 173.35 1gpu n GLY 632 N 4.78 4.20 2.88 13.12 0.00 -1.26 -2.31 105.19 126.61 1gpu n GLY 632 Ca -0.10 -0.98 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.28 0.98 -0.37 -0.61 1.01 -0.13 -4.86 121.20 115.94 1gpu s ILE 633 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.31 1gpu s ILE 633 Cb 0.00 -1.09 0.45 0.00 0.01 0.00 0.00 42.46 41.83 1gpu s ILE 633 CO 0.00 0.24 1.28 0.47 0.00 0.00 0.00 174.94 176.94 1gpu n ASP 634 N 4.94 5.23 -3.96 3.58 8.00 -1.26 -2.30 116.55 130.78 1gpu n ASP 634 Ca -0.12 -3.75 -0.09 0.00 0.71 0.00 0.00 54.79 51.54 1gpu n ASP 634 Cb 0.49 -0.45 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 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 1.56 0.81 -1.24 1.04 -1.26 -5.10 118.95 111.14 1gpu s ARG 635 Ca 0.52 -1.29 -0.12 0.00 -1.04 0.00 0.00 55.73 53.80 1gpu s ARG 635 Cb 0.42 0.46 0.08 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 0.00 175.30 175.65 1gpu s PHE 636 N -3.96 2.85 0.00 5.89 0.08 -1.26 -4.98 117.98 116.60 1gpu s PHE 636 Ca 0.23 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.27 1gpu s PHE 636 Cb -0.00 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 1gpu s PHE 636 CO 0.10 -1.83 0.00 0.41 -0.10 0.00 0.00 175.22 173.80 1gpu n GLY 637 N -2.47 -0.37 3.47 4.36 0.00 -1.26 -5.04 105.19 103.88 1gpu n GLY 637 Ca 0.07 -1.38 -0.17 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 -3.46 -1.55 -0.37 4.61 0.00 -1.26 -4.63 121.76 115.09 1gpu s ALA 638 Ca 0.00 1.19 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1gpu s ALA 638 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1gpu s ALA 638 CO 0.00 -0.34 0.77 0.45 0.00 0.00 0.00 175.76 176.64 1gpu s SER 639 N -1.03 6.52 -0.08 0.00 0.15 -1.26 -4.39 113.70 113.61 1gpu s SER 639 Ca -0.10 0.28 -0.32 0.00 0.70 0.00 0.00 55.95 56.51 1gpu s SER 639 Cb -0.02 -2.39 0.13 0.00 -1.71 0.00 0.00 66.02 62.04 1gpu s SER 639 CO 0.08 -0.74 1.40 -0.83 1.20 0.00 0.00 173.24 174.35 1gpu s GLY 640 N 1.87 -0.43 0.24 9.45 0.00 -1.20 -4.90 107.32 112.35 1gpu s GLY 640 Ca 0.30 0.75 -0.31 0.00 0.00 0.00 0.00 44.72 45.46 1gpu s GLY 640 CO 0.17 1.54 1.65 0.28 0.00 0.00 0.00 173.10 176.74 1gpu n LYS 641 N -0.60 2.68 -0.29 2.90 5.02 -1.26 -1.06 118.16 125.55 1gpu n LYS 641 Ca -0.06 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 1gpu n LYS 641 Cb 0.63 -2.77 0.07 0.00 -0.02 0.00 0.00 35.03 32.94 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 5.79 0.34 -1.00 7.82 0.00 -1.85 -0.20 119.26 130.15 1gpu h ALA 642 Ca -0.45 0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1gpu h ALA 642 Cb 1.22 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1gpu h ALA 642 CO 0.88 -0.51 0.65 -1.35 0.00 0.00 0.00 179.25 178.92 1gpu h PRO 643 N -0.04 1.10 -0.24 0.00 0.11 -1.93 -1.19 132.00 129.81 1gpu h PRO 643 Ca 0.35 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.27 1gpu h PRO 643 Cb 0.60 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 1gpu h PRO 643 CO -0.85 0.73 -0.37 0.93 -0.21 0.00 0.00 178.00 178.23 1gpu h GLU 644 N 1.13 0.54 -0.25 1.05 5.08 -1.44 -2.53 114.58 118.17 1gpu h GLU 644 Ca 0.45 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1gpu h GLU 644 Cb 0.24 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1gpu h GLU 644 CO -0.19 0.83 -0.06 0.28 -1.00 0.00 0.00 179.01 178.86 1gpu h VAL 645 N 0.45 1.28 -0.63 3.13 2.07 -0.39 -0.52 116.25 121.65 1gpu h VAL 645 Ca 0.05 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.55 1gpu h VAL 645 Cb 0.85 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1gpu h VAL 645 CO 0.07 0.34 0.33 -0.26 0.02 0.00 0.00 177.57 178.07 1gpu h PHE 646 N 0.22 0.61 -0.56 1.57 0.04 -1.19 -1.83 116.94 115.79 1gpu h PHE 646 Ca 0.06 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 1gpu h PHE 646 Cb 0.53 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 1gpu h PHE 646 CO 0.05 0.28 0.03 0.87 -0.60 0.00 0.00 178.31 178.94 1gpu h LYS 647 N 0.62 0.95 -1.00 1.51 1.57 -1.32 -0.30 116.57 118.60 1gpu h LYS 647 Ca 0.29 -0.27 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1gpu h LYS 647 Cb 0.20 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.33 1gpu h LYS 647 CO -0.19 0.92 0.63 0.35 -0.57 0.00 0.00 179.45 180.59 1gpu h PHE 648 N 0.88 1.16 -0.13 -1.35 3.57 -0.30 0.31 116.94 121.08 1gpu h PHE 648 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1gpu h PHE 648 Cb 0.48 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1gpu h PHE 648 CO 0.03 0.52 0.00 1.19 -2.23 0.00 0.00 178.31 177.82 1gpu n PHE 649 N -4.58 0.16 -1.03 0.41 3.72 -0.83 -4.93 117.46 110.39 1gpu n PHE 649 Ca 0.17 -0.08 -0.01 0.00 -0.05 0.00 0.00 57.45 57.48 1gpu n PHE 649 Cb 0.28 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.82 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 1.06 0.49 3.44 1.37 0.00 0.10 -4.97 105.19 106.68 1gpu n GLY 650 Ca 0.16 -0.40 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.90 4.77 -4.25 1.61 3.01 -0.18 -4.30 117.46 115.22 1gpu n PHE 651 Ca -0.01 -3.22 -0.14 0.00 1.01 0.00 0.00 57.45 55.09 1gpu n PHE 651 Cb 0.07 -2.27 -0.10 0.00 -0.01 0.00 0.00 39.48 37.16 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 2.05 0.96 0.24 4.37 -4.23 -1.26 -4.57 115.64 113.20 1gpu s THR 652 Ca 0.45 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 58.89 1gpu s THR 652 Cb -0.00 -1.98 0.20 0.00 1.34 0.00 0.00 72.50 72.05 1gpu s THR 652 CO 0.02 -0.62 1.76 -0.65 -0.54 0.00 0.00 174.62 174.59 1gpu h PRO 653 N 2.73 0.56 -0.75 3.99 0.11 -1.91 -1.08 132.00 135.64 1gpu h PRO 653 Ca -0.37 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.65 1gpu h PRO 653 Cb 1.20 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1gpu h PRO 653 CO 0.64 0.37 0.25 0.93 -0.21 0.00 0.00 178.00 179.97 1gpu h GLU 654 N 0.57 1.16 -0.73 1.05 3.07 -1.93 -1.19 114.58 116.58 1gpu h GLU 654 Ca 0.39 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 1gpu h GLU 654 Cb 0.48 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 1gpu h GLU 654 CO -0.32 0.98 0.22 0.78 -1.40 0.00 0.00 179.01 179.27 1gpu h GLY 655 N 1.13 1.23 0.79 -3.84 0.00 -1.43 -0.10 103.07 100.85 1gpu h GLY 655 Ca 0.25 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.78 1gpu h GLY 655 CO -0.01 0.69 -0.14 -2.08 0.00 0.00 0.00 176.54 174.99 1gpu h VAL 656 N 1.09 1.33 -0.54 4.60 2.07 -1.08 -2.80 116.25 120.92 1gpu h VAL 656 Ca 0.24 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.50 1gpu h VAL 656 Cb 0.32 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1gpu h VAL 656 CO -0.01 0.38 0.34 0.00 0.02 0.00 0.00 177.57 178.30 1gpu h ALA 657 N 0.65 0.69 -0.38 1.67 0.00 -1.06 -0.48 119.26 120.36 1gpu h ALA 657 Ca 0.03 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1gpu h ALA 657 Cb 0.66 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1gpu h ALA 657 CO 0.04 0.07 0.23 1.49 0.00 0.00 0.00 179.25 181.08 1gpu h GLU 658 N 0.68 0.46 0.00 0.00 4.81 -1.02 0.18 114.58 119.69 1gpu h GLU 658 Ca 0.21 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1gpu h GLU 658 Cb -0.02 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1gpu h GLU 658 CO -0.08 0.31 -0.29 0.00 -0.73 0.00 0.00 179.01 178.22 1gpu h ARG 659 N 0.48 0.00 -0.46 1.92 3.08 -1.20 -0.98 114.38 117.21 1gpu h ARG 659 Ca 0.15 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 1gpu h ARG 659 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1gpu h ARG 659 CO -0.05 0.29 -0.03 0.00 -1.07 0.00 0.00 179.97 179.11 1gpu h ALA 660 N 1.71 0.63 -0.67 0.04 0.00 -0.09 -0.94 119.26 119.93 1gpu h ALA 660 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1gpu h ALA 660 Cb 0.54 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1gpu h ALA 660 CO 0.04 0.45 0.32 1.96 0.00 0.00 0.00 179.25 182.03 1gpu h GLN 661 N 0.68 0.96 -0.74 0.00 4.20 -0.14 -0.40 115.11 119.68 1gpu h GLN 661 Ca 0.13 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1gpu h GLN 661 Cb 0.55 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1gpu h GLN 661 CO 0.03 0.76 0.34 0.87 -0.67 0.00 0.00 178.83 180.16 1gpu h LYS 662 N 0.92 1.07 -0.39 1.46 1.79 -0.93 -1.38 116.57 119.12 1gpu h LYS 662 Ca 0.23 -0.16 -0.09 0.00 -2.18 0.00 0.00 60.65 58.45 1gpu h LYS 662 Cb 0.11 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1gpu h LYS 662 CO -0.03 0.84 -0.11 1.15 -1.08 0.00 0.00 179.45 180.22 1gpu h THR 663 N 1.06 1.28 0.04 -0.16 2.02 -0.67 -0.43 112.91 116.05 1gpu h THR 663 Ca 0.25 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1gpu h THR 663 Cb 0.13 1.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1gpu h THR 663 CO -0.03 0.40 -0.04 0.40 0.37 0.00 0.00 175.52 176.62 1gpu h ILE 664 N 0.57 0.90 -0.52 3.11 2.04 -0.77 -2.25 117.51 120.60 1gpu h ILE 664 Ca 0.10 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.92 1gpu h ILE 664 Cb 0.64 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1gpu h ILE 664 CO 0.04 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.35 1gpu h ALA 665 N 0.86 1.31 -0.49 1.87 0.00 -1.19 -1.55 119.26 120.06 1gpu h ALA 665 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1gpu h ALA 665 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1gpu h ALA 665 CO -0.01 0.50 0.26 0.35 0.00 0.00 0.00 179.25 180.34 1gpu h PHE 666 N 0.75 0.66 -0.06 0.00 3.57 -0.69 -3.05 116.94 118.13 1gpu h PHE 666 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1gpu h PHE 666 Cb 0.23 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1gpu h PHE 666 CO 0.01 0.47 0.00 0.66 -2.23 0.00 0.00 178.31 177.22 1gpu n TYR 667 N -4.40 0.05 -1.64 0.41 4.01 -0.88 -4.97 117.16 109.73 1gpu n TYR 667 Ca 0.04 -0.03 -0.52 0.00 -0.16 0.00 0.00 57.90 57.23 1gpu n TYR 667 Cb 0.10 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 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 1.09 1.44 -0.25 -0.72 4.76 -0.62 -0.58 118.16 123.28 1gpu n LYS 668 Ca 0.12 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.08 1gpu n LYS 668 Cb 0.49 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.45 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 3.31 1.64 3.93 0.72 0.00 -1.26 -5.04 105.19 108.48 1gpu n GLY 669 Ca 0.21 0.00 -0.25 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 -3.25 6.34 -0.32 1.61 1.01 0.26 -5.06 116.67 117.26 1gpu s ASP 670 Ca 0.00 0.51 -0.17 0.00 0.71 0.00 0.00 52.55 53.60 1gpu s ASP 670 Cb 0.00 -2.06 -0.01 0.00 1.01 0.00 0.00 42.92 41.86 1gpu s ASP 670 CO 0.00 -0.24 0.48 -0.75 0.21 0.00 0.00 175.17 174.87 1gpu s LYS 671 N -4.01 3.77 -0.13 8.23 2.20 -1.26 -5.03 119.74 123.51 1gpu s LYS 671 Ca 0.41 -0.05 -0.06 0.00 -0.36 0.00 0.00 55.97 55.90 1gpu s LYS 671 Cb -0.10 -3.75 -0.04 0.00 -1.51 0.00 0.00 37.83 32.43 1gpu s LYS 671 CO 0.34 -0.52 0.11 -0.51 -0.36 0.00 0.00 175.35 174.41 1gpu s LEU 672 N 2.30 4.16 -0.06 5.43 1.43 -1.26 -5.00 118.68 125.68 1gpu s LEU 672 Ca 0.18 0.35 0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1gpu s LEU 672 Cb -0.16 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 1gpu s LEU 672 CO 0.12 0.36 -0.12 -0.63 0.23 0.00 0.00 176.35 176.31 1gpu s ILE 673 N -0.74 3.22 0.30 -0.59 1.01 -1.26 -0.19 121.20 122.95 1gpu s ILE 673 Ca 0.13 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1gpu s ILE 673 Cb -0.12 -2.28 -0.12 0.00 0.01 0.00 0.00 42.46 39.95 1gpu s ILE 673 CO 0.03 0.59 1.60 -0.24 0.00 0.00 0.00 174.94 176.92 1gpu n SER 674 N 2.40 3.90 0.15 3.58 2.88 -1.26 -4.83 113.62 120.44 1gpu n SER 674 Ca -0.17 1.15 0.10 0.00 -1.33 0.00 0.00 58.87 58.62 1gpu n SER 674 Cb 0.52 -1.60 0.54 0.00 -0.75 0.00 0.00 64.21 62.92 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 2.12 0.14 0.16 -1.46 -0.02 -1.26 -2.00 135.00 132.66 1gpu n PRO 675 Ca 0.08 0.60 0.01 0.00 -2.02 0.00 0.00 63.50 62.17 1gpu n PRO 675 Cb 0.37 -1.92 0.24 0.00 -0.02 0.00 0.00 33.50 32.17 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 -9.35 2.45 3.38 -1.86 -3.45 115.31 106.48 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 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1gpu h LEU 676 CO 0.00 0.53 0.92 -0.54 0.09 0.00 0.00 178.44 179.44 1gpu s LYS 677 N -3.73 4.24 0.13 1.13 1.02 -0.85 -5.02 119.74 116.68 1gpu s LYS 677 Ca -0.01 2.06 0.06 0.00 0.02 0.00 0.00 55.97 58.09 1gpu s LYS 677 Cb 0.13 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1gpu s LYS 677 CO 0.74 -0.67 0.02 0.15 -0.92 0.00 0.00 175.35 174.67 1gpu s LYS 678 N 2.87 2.55 0.01 1.68 -0.14 -1.26 -5.02 119.74 120.42 1gpu s LYS 678 Ca 0.67 -0.95 0.25 0.00 -1.36 0.00 0.00 55.97 54.58 1gpu s LYS 678 Cb -0.33 -2.49 0.46 0.00 -1.68 0.00 0.00 37.83 33.80 1gpu s LYS 678 CO 0.27 0.50 1.39 0.00 -0.76 0.00 0.00 175.35 176.75 1gpu n ALA 679 N 0.15 3.53 -1.43 5.17 0.00 -1.26 -5.27 120.51 121.40 1gpu n ALA 679 Ca -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1gpu n ALA 679 Cb 0.54 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1gpu n ALA 679 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47