#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4w s THR 2 N 0.00 2.37 -0.12 4.28 -4.23 -1.26 -4.83 115.64 111.85 1v4w s THR 2 Ca 0.00 0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.59 1v4w s THR 2 Cb 0.00 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1v4w s THR 2 CO 0.00 -0.03 0.44 -0.76 -0.54 0.00 0.00 174.62 173.73 1v4w s LEU 3 N -3.80 4.29 0.91 4.79 1.43 -1.26 -5.08 118.68 119.95 1v4w s LEU 3 Ca 0.75 0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.49 1v4w s LEU 3 Cb -0.35 -2.63 0.14 0.00 0.03 0.00 0.00 46.19 43.38 1v4w s LEU 3 CO 0.40 0.04 1.17 -0.94 0.23 0.00 0.00 176.35 177.25 1v4w s SER 4 N 0.47 3.53 0.23 2.29 1.04 -1.26 -4.85 113.70 115.16 1v4w s SER 4 Ca 0.24 0.82 -0.06 0.00 0.48 0.00 0.00 55.95 57.43 1v4w s SER 4 Cb -0.15 -1.29 0.34 0.00 0.10 0.00 0.00 66.02 65.03 1v4w s SER 4 CO 0.09 -2.52 1.81 0.44 0.98 0.00 0.00 173.24 174.05 1v4w h ASP 5 N -1.48 0.65 -0.33 7.02 3.45 -1.99 -1.57 116.42 122.16 1v4w h ASP 5 Ca -0.48 0.04 0.02 0.00 0.43 0.00 0.00 57.03 57.04 1v4w h ASP 5 Cb 1.32 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.98 1v4w h ASP 5 CO 0.58 0.39 0.17 0.50 -1.57 0.00 0.00 179.24 179.31 1v4w h LYS 6 N 0.77 0.34 -0.42 3.56 3.11 -1.99 -0.87 116.57 121.09 1v4w h LYS 6 Ca 0.36 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1v4w h LYS 6 Cb 0.29 -0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.42 1v4w h LYS 6 CO -0.22 0.23 0.27 -0.44 -2.81 0.00 0.00 179.45 176.47 1v4w h ASP 7 N 0.35 0.49 -0.45 4.20 3.45 -1.79 0.94 116.42 123.62 1v4w h ASP 7 Ca 0.13 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1v4w h ASP 7 Cb 0.04 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 1v4w h ASP 7 CO -0.08 0.37 0.14 0.11 -1.57 0.00 0.00 179.24 178.21 1v4w h LYS 8 N 0.56 0.69 -0.04 3.56 1.57 -1.05 0.44 116.57 122.29 1v4w h LYS 8 Ca 0.15 -0.15 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 1v4w h LYS 8 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1v4w h LYS 8 CO -0.03 0.67 -0.55 0.66 -0.57 0.00 0.00 179.45 179.63 1v4w h SER 9 N 0.58 0.14 -0.20 0.86 4.64 -0.91 -0.82 113.55 117.85 1v4w h SER 9 Ca 0.14 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1v4w h SER 9 Cb 0.26 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1v4w h SER 9 CO -0.01 0.66 -0.16 0.74 -0.87 0.00 0.00 176.83 177.20 1v4w h THR 10 N 0.10 1.32 -0.74 2.95 2.02 -0.44 -1.69 112.91 116.43 1v4w h THR 10 Ca -0.00 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 65.86 1v4w h THR 10 Cb 1.00 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.10 1v4w h THR 10 CO 0.08 0.39 0.33 0.58 0.37 0.00 0.00 175.52 177.27 1v4w h VAL 11 N 0.13 1.25 -0.47 3.16 2.07 -0.75 -1.42 116.25 120.23 1v4w h VAL 11 Ca 0.04 -0.73 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 1v4w h VAL 11 Cb 0.68 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1v4w h VAL 11 CO 0.04 0.30 -0.08 0.11 0.02 0.00 0.00 177.57 177.96 1v4w h LYS 12 N 1.05 0.82 -0.32 1.57 1.57 -1.09 -0.14 116.57 120.03 1v4w h LYS 12 Ca 0.25 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1v4w h LYS 12 Cb 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1v4w h LYS 12 CO -0.03 0.88 0.01 0.00 -0.57 0.00 0.00 179.45 179.74 1v4w h ALA 13 N 1.16 0.43 -0.68 3.86 0.00 -1.05 -0.74 119.26 122.24 1v4w h ALA 13 Ca 0.13 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1v4w h ALA 13 Cb 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1v4w h ALA 13 CO 0.03 0.17 0.25 1.25 0.00 0.00 0.00 179.25 180.96 1v4w h LEU 14 N 0.36 0.95 -0.75 0.00 5.85 -1.13 -2.33 115.31 118.26 1v4w h LEU 14 Ca 0.09 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1v4w h LEU 14 Cb 0.43 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1v4w h LEU 14 CO 0.01 0.88 0.44 -0.25 -0.34 0.00 0.00 178.44 179.18 1v4w h TRP 15 N 0.97 1.00 -0.90 1.25 2.91 -0.74 -0.84 115.95 119.60 1v4w h TRP 15 Ca 0.22 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.33 1v4w h TRP 15 Cb 0.24 -0.33 -0.07 0.00 -0.51 0.00 0.00 29.16 28.49 1v4w h TRP 15 CO 0.02 0.68 0.54 0.78 -1.03 0.00 0.00 178.44 179.44 1v4w h GLY 16 N 1.03 1.41 1.28 2.65 0.00 -0.77 0.17 103.07 108.85 1v4w h GLY 16 Ca 0.27 -0.37 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 1v4w h GLY 16 CO -0.05 0.18 -0.54 0.50 0.00 0.00 0.00 176.54 176.63 1v4w h LYS 17 N 0.91 0.75 0.00 4.80 1.57 -0.82 -3.37 116.57 120.42 1v4w h LYS 17 Ca 0.43 -0.47 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1v4w h LYS 17 Cb 0.36 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1v4w h LYS 17 CO -0.24 1.10 -1.11 0.44 -0.57 0.00 0.00 179.45 179.07 1v4w n ILE 18 N -3.99 0.00 0.21 1.86 -5.35 -0.40 -4.49 119.36 107.20 1v4w n ILE 18 Ca -0.04 -0.08 0.08 0.00 -0.27 0.00 0.00 62.75 62.45 1v4w n ILE 18 Cb 0.62 0.87 0.62 0.00 -1.74 0.00 0.00 39.64 40.00 1v4w n ILE 18 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1v4w h SER 19 N 0.00 0.06 -0.18 7.28 4.64 -0.83 -0.78 113.55 123.72 1v4w h SER 19 Ca 0.00 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1v4w h SER 19 Cb 0.55 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1v4w h SER 19 CO 0.00 0.04 0.13 0.50 -0.87 0.00 0.00 176.83 176.63 1v4w h LYS 20 N 0.07 0.16 -0.50 4.77 1.63 -1.83 -1.61 116.57 119.25 1v4w h LYS 20 Ca 0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1v4w h LYS 20 Cb 0.06 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1v4w h LYS 20 CO -0.00 0.11 0.00 0.43 -3.45 0.00 0.00 179.45 176.53 1v4w n SER 21 N -4.51 5.01 -0.24 4.20 7.64 -0.31 -4.71 113.62 120.70 1v4w n SER 21 Ca 0.00 -2.83 0.04 0.00 1.01 0.00 0.00 58.87 57.10 1v4w n SER 21 Cb 0.14 -0.62 0.17 0.00 -1.01 0.00 0.00 64.21 62.89 1v4w n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1v4w h ALA 22 N 3.41 0.92 -0.56 -0.43 0.00 -1.15 -0.51 119.26 120.93 1v4w h ALA 22 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1v4w h ALA 22 Cb 1.71 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.66 1v4w h ALA 22 CO 0.36 -0.30 0.07 -0.44 0.00 0.00 0.00 179.25 178.93 1v4w h ASP 23 N 0.30 0.87 -0.26 0.00 3.32 -1.84 0.03 116.42 118.85 1v4w h ASP 23 Ca 0.39 -0.20 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1v4w h ASP 23 Cb 0.64 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1v4w h ASP 23 CO -0.46 0.89 -0.41 0.00 -1.72 0.00 0.00 179.24 177.53 1v4w h ALA 24 N 1.21 0.39 -0.41 3.45 0.00 -1.72 -1.83 119.26 120.35 1v4w h ALA 24 Ca 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1v4w h ALA 24 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1v4w h ALA 24 CO 0.01 0.51 0.17 0.82 0.00 0.00 0.00 179.25 180.75 1v4w h ILE 25 N 0.46 1.20 -0.22 0.00 2.04 -0.77 -1.26 117.51 118.96 1v4w h ILE 25 Ca 0.02 -0.60 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1v4w h ILE 25 Cb 1.01 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1v4w h ILE 25 CO 0.09 0.22 0.09 1.23 0.00 0.00 0.00 178.15 179.79 1v4w h GLY 26 N 0.52 0.28 1.00 5.37 0.00 -0.91 -0.21 103.07 109.12 1v4w h GLY 26 Ca 0.14 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1v4w h GLY 26 CO -0.01 0.05 0.36 0.00 0.00 0.00 0.00 176.54 176.94 1v4w h ALA 27 N 1.12 0.71 -0.27 3.60 0.00 -1.18 -0.81 119.26 122.43 1v4w h ALA 27 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1v4w h ALA 27 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1v4w h ALA 27 CO -0.07 0.15 -0.08 0.22 0.00 0.00 0.00 179.25 179.47 1v4w h ASP 28 N 0.75 0.53 -0.48 0.00 3.58 -1.14 -0.87 116.42 118.80 1v4w h ASP 28 Ca 0.20 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 1v4w h ASP 28 Cb -0.08 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 1v4w h ASP 28 CO -0.04 0.79 0.21 0.00 -2.88 0.00 0.00 179.24 177.32 1v4w h ALA 29 N 0.76 0.62 -0.50 -0.78 0.00 -0.93 -1.47 119.26 116.96 1v4w h ALA 29 Ca 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1v4w h ALA 29 Cb 0.56 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1v4w h ALA 29 CO 0.03 0.20 -0.02 1.25 0.00 0.00 0.00 179.25 180.71 1v4w h LEU 30 N 0.63 0.88 -0.72 0.00 5.85 -1.12 -0.49 115.31 120.34 1v4w h LEU 30 Ca 0.16 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1v4w h LEU 30 Cb 0.15 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 1v4w h LEU 30 CO -0.02 0.99 0.43 1.23 -0.34 0.00 0.00 178.44 180.72 1v4w h GLY 31 N 0.76 1.07 1.00 3.75 0.00 -1.03 -1.26 103.07 107.35 1v4w h GLY 31 Ca 0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 1v4w h GLY 31 CO 0.03 0.21 -0.27 3.21 0.00 0.00 0.00 176.54 179.72 1v4w h ARG 32 N 0.79 0.77 -0.54 4.80 3.08 -1.12 -1.98 114.38 120.17 1v4w h ARG 32 Ca 0.32 -0.38 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1v4w h ARG 32 Cb 0.15 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1v4w h ARG 32 CO -0.17 1.01 0.21 1.98 -1.07 0.00 0.00 179.97 181.93 1v4w h MET 33 N 0.54 0.38 -0.21 0.04 4.05 -0.69 0.33 114.93 119.37 1v4w h MET 33 Ca 0.06 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.31 1v4w h MET 33 Cb 0.84 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 1v4w h MET 33 CO 0.07 0.25 -0.48 -0.07 0.23 0.00 0.00 176.91 176.92 1v4w h LEU 34 N 0.40 0.60 0.21 3.39 3.38 -1.08 -0.57 115.31 121.64 1v4w h LEU 34 Ca 0.26 -0.30 -0.34 0.00 0.09 0.00 0.00 57.88 57.60 1v4w h LEU 34 Cb 0.29 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.89 1v4w h LEU 34 CO -0.26 0.99 -1.60 0.00 0.09 0.00 0.00 178.44 177.66 1v4w h ALA 35 N 1.03 0.01 0.05 1.53 0.00 -0.94 -3.27 119.26 117.68 1v4w h ALA 35 Ca 0.02 -1.00 -0.25 0.00 0.00 0.00 0.00 54.91 53.68 1v4w h ALA 35 Cb 1.00 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1v4w h ALA 35 CO 0.09 0.88 -1.21 0.28 0.00 0.00 0.00 179.25 179.28 1v4w h VAL 36 N 0.12 1.49 -2.54 0.00 2.07 -0.37 -3.38 116.25 113.64 1v4w h VAL 36 Ca -0.29 -3.17 -0.60 0.00 0.82 0.00 0.00 66.70 63.46 1v4w h VAL 36 Cb 2.13 2.81 -0.41 0.00 -1.52 0.00 0.00 31.29 34.30 1v4w h VAL 36 CO 0.22 0.88 -0.73 -1.22 0.02 0.00 0.00 177.57 176.74 1v4w n TYR 37 N -3.37 2.01 0.23 1.57 4.01 -0.22 -4.96 117.16 116.42 1v4w n TYR 37 Ca -0.06 -3.96 0.14 0.00 -0.16 0.00 0.00 57.90 53.86 1v4w n TYR 37 Cb 0.99 -0.39 0.75 0.00 -0.31 0.00 0.00 39.34 40.37 1v4w n TYR 37 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1v4w h PRO 38 N 4.91 0.00 -0.46 -0.72 0.11 -1.73 -0.92 132.00 133.19 1v4w h PRO 38 Ca 0.18 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.42 1v4w h PRO 38 Cb 0.78 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1v4w h PRO 38 CO 0.64 0.00 0.33 -0.56 -0.21 0.00 0.00 178.00 178.20 1v4w h GLN 39 N 0.00 0.02 0.00 1.05 -0.00 -1.90 -1.60 115.11 112.67 1v4w h GLN 39 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1v4w h GLN 39 Cb 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.53 1v4w h GLN 39 CO 0.00 0.01 0.00 1.79 -0.00 0.00 0.00 178.83 180.63 1v4w h THR 40 N 0.02 0.00 0.00 1.86 1.35 -1.46 -3.08 112.91 111.59 1v4w h THR 40 Ca 0.22 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 1v4w h THR 40 Cb 0.85 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1v4w h THR 40 CO -0.01 0.00 -0.04 0.11 -0.25 0.00 0.00 175.52 175.34 1v4w h LYS 41 N 0.00 0.00 0.00 4.72 1.57 -1.48 -2.97 116.57 118.41 1v4w h LYS 41 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1v4w h LYS 41 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1v4w h LYS 41 CO 0.00 0.04 0.00 1.79 -0.57 0.00 0.00 179.45 180.71 1v4w h THR 42 N 0.00 0.00 -0.01 -0.16 1.35 -1.73 -0.04 112.91 112.32 1v4w h THR 42 Ca -0.00 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1v4w h THR 42 Cb 0.26 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1v4w h THR 42 CO 0.00 0.00 -0.36 -1.22 -0.25 0.00 0.00 175.52 173.70 1v4w n TYR 43 N -2.65 0.00 -1.45 4.73 4.02 -1.12 -4.36 117.16 116.34 1v4w n TYR 43 Ca -0.02 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.94 1v4w n TYR 43 Cb 0.06 -0.08 0.14 0.00 -0.02 0.00 0.00 39.34 39.44 1v4w n TYR 43 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1v4w n PHE 44 N -0.47 0.00 0.39 -0.72 3.01 -0.03 -4.78 117.46 114.86 1v4w n PHE 44 Ca 0.11 -1.04 0.14 0.00 1.01 0.00 0.00 57.45 57.66 1v4w n PHE 44 Cb 0.39 -0.17 0.50 0.00 -0.01 0.00 0.00 39.48 40.19 1v4w n PHE 44 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1v4w h SER 45 N 0.42 0.00 1.19 4.37 4.64 -1.75 -2.16 113.55 120.26 1v4w h SER 45 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1v4w h SER 45 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1v4w h SER 45 CO 0.01 0.00 0.00 1.12 -0.87 0.00 0.00 176.83 177.09 1v4w h HIS 46 N 0.00 0.00 -3.80 4.77 2.07 -1.92 -3.45 115.15 112.82 1v4w h HIS 46 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1v4w h HIS 46 Cb 0.52 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.53 1v4w h HIS 46 CO 0.00 0.00 0.51 -1.58 -3.07 0.00 0.00 177.93 173.79 1v4w s TRP 47 N -3.23 3.47 0.33 6.12 0.52 -0.81 -4.95 118.94 120.38 1v4w s TRP 47 Ca 0.07 1.63 0.17 0.00 0.02 0.00 0.00 56.10 57.99 1v4w s TRP 47 Cb 0.10 -3.37 0.87 0.00 -1.15 0.00 0.00 33.47 29.92 1v4w s TRP 47 CO 0.52 -0.85 1.85 -1.00 0.02 0.00 0.00 176.95 177.49 1v4w h PRO 48 N 3.84 0.00 -3.20 4.98 0.13 -1.89 -3.44 132.00 132.42 1v4w h PRO 48 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 1v4w h PRO 48 Cb 1.21 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.07 1v4w h PRO 48 CO 0.67 0.32 -0.50 0.34 -0.23 0.00 0.00 178.00 178.61 1v4w s ASP 49 N -6.63 -0.21 0.00 1.44 3.68 -1.26 -5.04 116.67 108.64 1v4w s ASP 49 Ca -0.02 0.42 0.00 0.00 2.13 0.00 0.00 52.55 55.08 1v4w s ASP 49 Cb 0.13 0.39 0.00 0.00 -1.45 0.00 0.00 42.92 41.99 1v4w s ASP 49 CO 0.68 -0.10 0.71 0.23 0.13 0.00 0.00 175.17 176.82 1v4w n MET 50 N 3.38 0.75 -1.81 4.34 2.81 -1.26 -4.54 117.12 120.78 1v4w n MET 50 Ca -0.17 -0.92 -0.33 0.00 -1.81 0.00 0.00 57.70 54.46 1v4w n MET 50 Cb 0.57 -0.99 0.04 0.00 -0.71 0.00 0.00 33.22 32.13 1v4w n MET 50 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1v4w s SER 51 N -0.43 5.13 0.31 7.83 1.04 -1.26 -4.88 113.70 121.44 1v4w s SER 51 Ca 0.00 2.06 -0.29 0.00 0.48 0.00 0.00 55.95 58.20 1v4w s SER 51 Cb 0.00 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.44 1v4w s SER 51 CO 0.00 -1.62 1.54 -2.65 0.98 0.00 0.00 173.24 171.49 1v4w n PRO 52 N -2.26 2.61 -0.82 4.02 -0.02 -1.26 -1.87 135.00 135.40 1v4w n PRO 52 Ca 0.11 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.51 1v4w n PRO 52 Cb 0.52 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 1v4w n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1v4w n GLY 53 N 1.65 1.29 3.79 -1.23 0.00 -1.26 -5.03 105.19 104.40 1v4w n GLY 53 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1v4w n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v4w s SER 54 N -3.13 5.01 0.13 1.61 1.04 -0.78 -4.80 113.70 112.78 1v4w s SER 54 Ca 0.00 1.74 -0.24 0.00 0.48 0.00 0.00 55.95 57.93 1v4w s SER 54 Cb 0.00 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.59 1v4w s SER 54 CO 0.00 -1.69 1.64 1.23 0.98 0.00 0.00 173.24 175.40 1v4w h GLY 55 N -0.77 -0.26 0.49 7.32 0.00 -1.91 -0.43 103.07 107.51 1v4w h GLY 55 Ca -0.44 0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.28 1v4w h GLY 55 CO 0.54 -0.20 0.61 -2.55 0.00 0.00 0.00 176.54 174.95 1v4w h PRO 56 N -0.31 0.95 -0.14 4.80 0.11 -1.94 -1.05 132.00 134.42 1v4w h PRO 56 Ca 0.09 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1v4w h PRO 56 Cb 0.44 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1v4w h PRO 56 CO -0.28 0.63 -0.16 0.28 -0.21 0.00 0.00 178.00 178.26 1v4w h VAL 57 N 0.98 1.35 -0.59 3.15 2.07 -1.67 -1.13 116.25 120.41 1v4w h VAL 57 Ca 0.48 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.71 1v4w h VAL 57 Cb 0.45 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1v4w h VAL 57 CO -0.26 0.40 0.31 0.11 0.02 0.00 0.00 177.57 178.14 1v4w h LYS 58 N -0.01 0.56 -0.52 1.57 1.57 -0.83 0.13 116.57 119.03 1v4w h LYS 58 Ca 0.02 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1v4w h LYS 58 Cb 0.71 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1v4w h LYS 58 CO 0.04 0.37 -0.05 0.00 -0.57 0.00 0.00 179.45 179.24 1v4w h ALA 59 N 1.32 0.70 -0.08 3.86 0.00 -1.11 -2.33 119.26 121.63 1v4w h ALA 59 Ca 0.27 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1v4w h ALA 59 Cb 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1v4w h ALA 59 CO -0.18 0.56 -0.82 1.25 0.00 0.00 0.00 179.25 180.06 1v4w h HIS 60 N 0.81 0.79 -0.95 0.00 -0.00 -1.01 -2.70 115.15 112.09 1v4w h HIS 60 Ca 0.14 -0.37 0.12 0.00 -0.00 0.00 0.00 60.37 60.26 1v4w h HIS 60 Cb 0.59 -0.11 -0.08 0.00 -0.00 0.00 0.00 27.41 27.80 1v4w h HIS 60 CO 0.04 1.17 0.58 0.78 -0.00 0.00 0.00 177.93 180.50 1v4w h GLY 61 N 0.94 1.55 0.89 5.26 0.00 -0.68 0.53 103.07 111.56 1v4w h GLY 61 Ca -0.06 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 46.90 1v4w h GLY 61 CO 0.15 0.12 0.03 1.70 0.00 0.00 0.00 176.54 178.54 1v4w h LYS 62 N 0.90 0.08 -0.04 4.80 3.64 -1.22 -2.03 116.57 122.71 1v4w h LYS 62 Ca 0.48 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 1v4w h LYS 62 Cb 0.50 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1v4w h LYS 62 CO -0.28 0.06 0.02 0.87 -2.27 0.00 0.00 179.45 177.85 1v4w h LYS 63 N 0.09 0.06 -0.61 1.90 1.57 -0.97 -2.02 116.57 116.58 1v4w h LYS 63 Ca 0.05 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1v4w h LYS 63 Cb 0.04 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 1v4w h LYS 63 CO -0.06 0.10 0.29 0.28 -0.57 0.00 0.00 179.45 179.49 1v4w h VAL 64 N 0.00 0.88 0.00 0.50 2.07 -0.86 -1.56 116.25 117.29 1v4w h VAL 64 Ca 0.02 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1v4w h VAL 64 Cb 0.06 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1v4w h VAL 64 CO -0.00 0.10 -0.18 0.24 0.02 0.00 0.00 177.57 177.74 1v4w h MET 65 N 0.54 0.00 -0.04 1.57 2.86 -1.21 -1.40 114.93 117.24 1v4w h MET 65 Ca 0.29 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.83 1v4w h MET 65 Cb 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1v4w h MET 65 CO -0.23 0.18 -0.42 0.78 1.06 0.00 0.00 176.91 178.28 1v4w h GLY 66 N 2.04 0.09 0.98 8.32 0.00 -0.54 0.15 103.07 114.11 1v4w h GLY 66 Ca -0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 1v4w h GLY 66 CO 0.02 0.08 -0.14 -1.33 0.00 0.00 0.00 176.54 175.17 1v4w h GLY 67 N 1.27 0.82 1.01 4.60 0.00 -0.66 -0.95 103.07 109.16 1v4w h GLY 67 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.60 1v4w h GLY 67 CO 0.06 0.65 0.36 -2.08 0.00 0.00 0.00 176.54 175.53 1v4w h VAL 68 N 0.55 1.22 -0.71 4.60 2.07 -0.92 -1.30 116.25 121.76 1v4w h VAL 68 Ca 0.09 -0.58 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1v4w h VAL 68 Cb 0.68 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1v4w h VAL 68 CO 0.05 0.25 0.36 0.00 0.02 0.00 0.00 177.57 178.25 1v4w h ALA 69 N 1.18 1.30 -0.62 1.67 0.00 -0.52 -1.63 119.26 120.63 1v4w h ALA 69 Ca 0.24 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1v4w h ALA 69 Cb 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1v4w h ALA 69 CO -0.04 0.56 0.16 1.25 0.00 0.00 0.00 179.25 181.17 1v4w h LEU 70 N 1.00 0.94 -0.89 0.00 5.85 -0.86 -1.99 115.31 119.36 1v4w h LEU 70 Ca 0.25 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1v4w h LEU 70 Cb 0.07 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1v4w h LEU 70 CO -0.04 0.92 0.48 0.00 -0.34 0.00 0.00 178.44 179.46 1v4w h ALA 71 N 1.05 1.14 -0.43 1.25 0.00 -0.62 -1.33 119.26 120.32 1v4w h ALA 71 Ca 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1v4w h ALA 71 Cb 0.35 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1v4w h ALA 71 CO 0.00 0.65 0.24 0.28 0.00 0.00 0.00 179.25 180.42 1v4w h VAL 72 N 1.24 1.15 -0.83 0.00 2.07 -1.06 -1.25 116.25 117.58 1v4w h VAL 72 Ca 0.31 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1v4w h VAL 72 Cb 0.04 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1v4w h VAL 72 CO -0.05 0.16 0.54 0.28 0.02 0.00 0.00 177.57 178.52 1v4w h SER 73 N 0.56 0.77 -0.61 0.57 0.02 -0.92 -2.95 113.55 110.98 1v4w h SER 73 Ca 0.15 0.01 -0.35 0.00 -0.84 0.00 0.00 61.79 60.77 1v4w h SER 73 Cb 0.04 -0.15 -0.20 0.00 0.14 0.00 0.00 62.40 62.23 1v4w h SER 73 CO -0.03 0.48 0.15 0.29 -1.14 0.00 0.00 176.83 176.58 1v4w n LYS 74 N -4.50 2.15 0.29 3.45 4.76 -0.54 -4.75 118.16 119.02 1v4w n LYS 74 Ca 0.13 -3.23 0.16 0.00 -2.87 0.00 0.00 58.31 52.49 1v4w n LYS 74 Cb 0.25 -1.99 0.86 0.00 -1.84 0.00 0.00 35.03 32.31 1v4w n LYS 74 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1v4w h ILE 75 N 1.09 0.39 0.00 -0.18 2.10 -1.06 -1.33 117.51 118.53 1v4w h ILE 75 Ca 0.38 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 66.01 1v4w h ILE 75 Cb 1.90 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 38.85 1v4w h ILE 75 CO 0.72 0.06 -0.04 0.44 -1.08 0.00 0.00 178.15 178.25 1v4w h ASP 76 N 0.00 0.00 -1.48 2.19 3.32 -1.87 -3.39 116.42 115.19 1v4w h ASP 76 Ca -0.00 -0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.74 1v4w h ASP 76 Cb 0.22 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 39.53 1v4w h ASP 76 CO 0.01 0.00 -0.66 -0.62 -1.72 0.00 0.00 179.24 176.25 1v4w s ASP 77 N -4.91 -0.43 0.22 6.45 -1.08 -0.52 -5.00 116.67 111.39 1v4w s ASP 77 Ca 0.09 -2.18 0.06 0.00 -0.52 0.00 0.00 52.55 50.00 1v4w s ASP 77 Cb 0.11 1.08 0.17 0.00 -1.46 0.00 0.00 42.92 42.81 1v4w s ASP 77 CO 0.62 -0.10 1.50 -0.07 0.52 0.00 0.00 175.17 177.64 1v4w h LEU 78 N 5.28 0.18 0.14 -1.34 3.38 -1.72 -0.95 115.31 120.28 1v4w h LEU 78 Ca 0.13 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1v4w h LEU 78 Cb 1.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1v4w h LEU 78 CO 0.14 0.83 -0.26 0.74 0.09 0.00 0.00 178.44 179.98 1v4w h THR 79 N 0.10 0.43 -0.17 0.22 2.02 -1.91 -0.64 112.91 112.95 1v4w h THR 79 Ca -0.02 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 1v4w h THR 79 Cb 1.27 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1v4w h THR 79 CO 0.10 0.00 -0.17 0.74 0.37 0.00 0.00 175.52 176.57 1v4w h THR 80 N -0.49 1.34 -0.81 3.16 2.02 -1.94 -2.98 112.91 113.21 1v4w h THR 80 Ca 0.02 -1.32 0.04 0.00 0.77 0.00 0.00 66.41 65.91 1v4w h THR 80 Cb 0.50 1.83 -0.05 0.00 -1.74 0.00 0.00 68.15 68.69 1v4w h THR 80 CO -0.13 0.40 0.53 1.23 0.37 0.00 0.00 175.52 177.91 1v4w h GLY 81 N 0.06 1.14 -2.57 2.16 0.00 -1.06 -2.58 103.07 100.21 1v4w h GLY 81 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1v4w h GLY 81 CO 0.04 0.34 0.00 1.04 0.00 0.00 0.00 176.54 177.96 1v4w n LEU 82 N -4.45 4.10 -0.20 3.11 4.77 -0.26 -4.63 117.00 119.44 1v4w n LEU 82 Ca 0.11 -2.21 0.01 0.00 -0.03 0.00 0.00 56.01 53.89 1v4w n LEU 82 Cb 0.12 -0.49 0.11 0.00 -2.33 0.00 0.00 43.42 40.83 1v4w n LEU 82 CO 0.35 0.87 0.91 1.23 -1.33 0.00 0.00 177.39 179.42 1v4w h GLY 83 N 3.77 0.76 1.16 -0.72 0.00 -1.29 0.20 103.07 106.95 1v4w h GLY 83 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 1v4w h GLY 83 CO 0.09 -0.12 -0.15 -0.55 0.00 0.00 0.00 176.54 175.81 1v4w h ASP 84 N 0.24 0.98 -0.45 0.19 3.32 -1.82 -0.65 116.42 118.23 1v4w h ASP 84 Ca 0.32 -0.34 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1v4w h ASP 84 Cb 0.48 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1v4w h ASP 84 CO -0.41 1.12 0.06 -0.07 -1.72 0.00 0.00 179.24 178.21 1v4w h LEU 85 N 0.85 0.79 -0.25 1.55 3.38 -1.72 -1.72 115.31 118.19 1v4w h LEU 85 Ca 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1v4w h LEU 85 Cb 0.71 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1v4w h LEU 85 CO 0.05 0.81 0.07 -1.28 0.09 0.00 0.00 178.44 178.19 1v4w h SER 86 N 0.79 0.37 -0.82 -0.43 0.87 -0.21 -1.90 113.55 112.22 1v4w h SER 86 Ca 0.16 -0.21 0.09 0.00 -1.23 0.00 0.00 61.79 60.59 1v4w h SER 86 Cb 0.38 -0.10 -0.07 0.00 -0.44 0.00 0.00 62.40 62.18 1v4w h SER 86 CO 0.01 0.48 0.47 -0.08 -0.53 0.00 0.00 176.83 177.19 1v4w h GLU 87 N 0.23 0.79 -0.35 2.24 4.57 -0.87 0.16 114.58 121.34 1v4w h GLU 87 Ca 0.08 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1v4w h GLU 87 Cb 0.25 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1v4w h GLU 87 CO -0.00 0.52 0.05 -0.07 -1.18 0.00 0.00 179.01 178.33 1v4w h LEU 88 N 0.81 0.57 -0.72 1.64 4.07 -1.11 -0.89 115.31 119.67 1v4w h LEU 88 Ca 0.38 -0.26 -0.13 0.00 0.08 0.00 0.00 57.88 57.95 1v4w h LEU 88 Cb 0.31 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1v4w h LEU 88 CO -0.23 0.69 -0.39 0.45 -1.08 0.00 0.00 178.44 177.87 1v4w h HIS 89 N 0.43 0.61 -0.52 1.13 3.86 -0.99 0.10 115.15 119.76 1v4w h HIS 89 Ca 0.11 -0.17 -0.12 0.00 -1.16 0.00 0.00 60.37 59.03 1v4w h HIS 89 Cb 0.36 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1v4w h HIS 89 CO 0.02 0.83 -0.13 0.00 0.86 0.00 0.00 177.93 179.52 1v4w h ALA 90 N 1.15 0.71 0.00 2.45 0.00 -0.50 0.11 119.26 123.18 1v4w h ALA 90 Ca 0.04 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1v4w h ALA 90 Cb 0.88 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1v4w h ALA 90 CO 0.07 0.64 -0.94 1.19 0.00 0.00 0.00 179.25 180.22 1v4w n PHE 91 N -4.16 0.00 -0.02 0.00 3.72 -0.35 -4.20 117.46 112.45 1v4w n PHE 91 Ca 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.40 1v4w n PHE 91 Cb 0.41 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.95 1v4w n PHE 91 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1v4w n LYS 92 N -1.57 0.12 0.07 -1.08 4.81 -0.04 -4.66 118.16 115.80 1v4w n LYS 92 Ca 0.00 0.31 -0.06 0.00 -0.87 0.00 0.00 58.31 57.69 1v4w n LYS 92 Cb 0.16 -0.99 -0.10 0.00 0.02 0.00 0.00 35.03 34.11 1v4w n LYS 92 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1v4w h MET 93 N -0.27 0.00 -5.87 1.64 2.86 -1.53 -3.48 114.93 108.27 1v4w h MET 93 Ca 0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 1v4w h MET 93 Cb 0.15 0.00 0.12 0.00 0.06 0.00 0.00 31.60 31.93 1v4w h MET 93 CO 0.00 0.92 -0.86 0.54 1.06 0.00 0.00 176.91 178.57 1v4w n ARG 94 N -3.32 -3.43 -2.89 1.72 5.12 0.36 -4.93 116.66 109.28 1v4w n ARG 94 Ca -0.00 0.69 -0.41 0.00 -1.93 0.00 0.00 57.85 56.19 1v4w n ARG 94 Cb 0.91 -5.21 -0.04 0.00 -1.16 0.00 0.00 32.46 26.96 1v4w n ARG 94 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1v4w s VAL 95 N -3.50 4.92 -0.10 1.55 1.01 -0.96 -4.99 120.40 118.33 1v4w s VAL 95 Ca 0.25 1.68 -0.33 0.00 0.00 0.00 0.00 61.98 63.58 1v4w s VAL 95 Cb -0.06 -4.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 1v4w s VAL 95 CO 0.79 0.11 1.95 -0.67 0.00 0.00 0.00 175.10 177.28 1v4w n ASP 96 N 4.59 3.48 0.24 3.32 -0.08 -1.26 -4.84 116.55 122.00 1v4w n ASP 96 Ca 0.03 0.86 0.16 0.00 -1.51 0.00 0.00 54.79 54.33 1v4w n ASP 96 Cb 0.50 -1.41 0.86 0.00 2.34 0.00 0.00 41.12 43.41 1v4w n ASP 96 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1v4w h PRO 97 N 10.19 0.00 -0.62 -0.67 0.11 -1.98 -1.28 132.00 137.74 1v4w h PRO 97 Ca -0.47 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.81 1v4w h PRO 97 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1v4w h PRO 97 CO 0.95 0.00 0.44 0.66 -0.21 0.00 0.00 178.00 179.84 1v4w h SER 98 N 0.00 0.07 0.58 -2.05 4.64 -2.00 -0.65 113.55 114.14 1v4w h SER 98 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1v4w h SER 98 Cb 0.03 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1v4w h SER 98 CO 0.00 0.03 -0.16 0.78 -0.87 0.00 0.00 176.83 176.62 1v4w h ASN 99 N 0.07 0.00 -0.35 4.97 2.35 -1.60 -2.92 115.58 118.11 1v4w h ASN 99 Ca 0.30 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1v4w h ASN 99 Cb 1.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1v4w h ASN 99 CO -0.02 0.16 0.22 -0.26 -1.65 0.00 0.00 177.43 175.87 1v4w h PHE 100 N 0.00 0.47 -0.07 1.19 0.05 -1.30 -1.58 116.94 115.69 1v4w h PHE 100 Ca -0.00 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.69 1v4w h PHE 100 Cb 0.49 -0.16 -0.01 0.00 2.00 0.00 0.00 35.95 38.27 1v4w h PHE 100 CO 0.00 0.32 -0.41 0.87 -0.18 0.00 0.00 178.31 178.91 1v4w h LYS 101 N 0.50 0.15 -0.01 1.51 6.56 -1.68 -1.30 116.57 122.30 1v4w h LYS 101 Ca 0.13 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1v4w h LYS 101 Cb -0.01 -0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.64 1v4w h LYS 101 CO -0.02 0.54 -0.00 0.82 -2.06 0.00 0.00 179.45 178.73 1v4w h ILE 102 N 0.13 1.25 -0.91 1.86 2.04 -1.41 -1.82 117.51 118.64 1v4w h ILE 102 Ca 0.01 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1v4w h ILE 102 Cb 0.79 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1v4w h ILE 102 CO 0.06 0.19 0.59 0.25 0.00 0.00 0.00 178.15 179.24 1v4w h LEU 103 N -0.29 1.06 -0.48 1.44 5.85 -1.32 -1.92 115.31 119.65 1v4w h LEU 103 Ca 0.00 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1v4w h LEU 103 Cb 0.31 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1v4w h LEU 103 CO 0.00 0.78 0.18 0.28 -0.34 0.00 0.00 178.44 179.34 1v4w h SER 104 N 1.24 0.21 -0.53 1.25 0.02 -1.11 0.67 113.55 115.28 1v4w h SER 104 Ca 0.33 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1v4w h SER 104 Cb -0.12 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1v4w h SER 104 CO -0.07 0.15 0.34 -0.74 -1.14 0.00 0.00 176.83 175.37 1v4w h HIS 105 N 0.37 0.68 -0.37 3.45 -0.00 -0.87 -1.30 115.15 117.10 1v4w h HIS 105 Ca 0.22 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.54 1v4w h HIS 105 Cb 0.21 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1v4w h HIS 105 CO -0.15 0.44 -0.06 0.00 -0.00 0.00 0.00 177.93 178.16 1v4w h ILE 107 N 0.57 1.16 -0.66 0.00 2.04 -0.53 -1.73 117.51 118.37 1v4w h ILE 107 Ca 0.11 -0.40 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1v4w h ILE 107 Cb 0.46 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1v4w h ILE 107 CO 0.02 0.17 0.31 -0.07 0.00 0.00 0.00 178.15 178.58 1v4w h LEU 108 N 0.60 0.84 -0.50 1.44 3.38 -0.54 0.42 115.31 120.96 1v4w h LEU 108 Ca 0.16 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1v4w h LEU 108 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1v4w h LEU 108 CO -0.03 0.72 -0.05 0.58 0.09 0.00 0.00 178.44 179.75 1v4w h VAL 109 N 0.93 1.27 -0.35 1.22 2.07 -0.98 -1.16 116.25 119.25 1v4w h VAL 109 Ca 0.23 -1.16 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 1v4w h VAL 109 Cb 0.10 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1v4w h VAL 109 CO -0.03 0.40 -0.32 0.58 0.02 0.00 0.00 177.57 178.23 1v4w h VAL 110 N 0.77 1.28 -0.88 2.57 2.07 -0.79 -0.35 116.25 120.92 1v4w h VAL 110 Ca 0.13 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.19 1v4w h VAL 110 Cb 0.59 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1v4w h VAL 110 CO 0.04 0.49 0.57 0.58 0.02 0.00 0.00 177.57 179.27 1v4w h VAL 111 N 0.62 1.19 -0.54 2.57 2.07 -0.79 -0.35 116.25 121.01 1v4w h VAL 111 Ca 0.06 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1v4w h VAL 111 Cb 0.90 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1v4w h VAL 111 CO 0.08 0.21 0.32 0.00 0.02 0.00 0.00 177.57 178.20 1v4w h ALA 112 N 1.34 0.70 -0.55 1.67 0.00 -0.93 0.28 119.26 121.76 1v4w h ALA 112 Ca 0.33 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 1v4w h ALA 112 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1v4w h ALA 112 CO -0.09 0.19 0.06 -0.22 0.00 0.00 0.00 179.25 179.18 1v4w h LYS 113 N 0.73 0.90 0.03 0.00 3.64 -0.60 -2.88 116.57 118.40 1v4w h LYS 113 Ca 0.19 -0.23 -0.32 0.00 -1.27 0.00 0.00 60.65 59.03 1v4w h LYS 113 Cb -0.00 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1v4w h LYS 113 CO -0.04 0.86 -1.83 -1.33 -2.27 0.00 0.00 179.45 174.84 1v4w n MET 114 N -4.22 0.67 -3.03 1.90 2.81 -0.18 -4.49 117.12 110.56 1v4w n MET 114 Ca 0.03 0.27 -0.24 0.00 -1.81 0.00 0.00 57.70 55.95 1v4w n MET 114 Cb 0.29 -1.75 -0.04 0.00 -0.71 0.00 0.00 33.22 31.00 1v4w n MET 114 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 1v4w n PHE 115 N -3.14 2.83 -0.12 2.03 3.72 0.96 -4.96 117.46 118.78 1v4w n PHE 115 Ca -0.22 -3.95 0.02 0.00 -0.05 0.00 0.00 57.45 53.25 1v4w n PHE 115 Cb 1.06 -0.47 0.31 0.00 -0.94 0.00 0.00 39.48 39.44 1v4w n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1v4w h PRO 116 N 3.04 0.79 -0.24 -1.08 0.13 -1.69 -1.73 132.00 131.23 1v4w h PRO 116 Ca 0.12 -0.06 -0.13 0.00 -0.87 0.00 0.00 66.00 65.07 1v4w h PRO 116 Cb 0.65 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.60 1v4w h PRO 116 CO 0.72 0.54 -0.38 0.87 -0.23 0.00 0.00 178.00 179.52 1v4w h LYS 117 N 0.81 0.54 0.00 0.86 1.79 -1.93 -3.22 116.57 115.43 1v4w h LYS 117 Ca 0.22 -0.27 -0.12 0.00 -2.18 0.00 0.00 60.65 58.30 1v4w h LYS 117 Cb -0.06 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1v4w h LYS 117 CO -0.04 0.84 -0.73 0.93 -1.08 0.00 0.00 179.45 179.36 1v4w h GLU 118 N 0.45 0.00 -3.31 3.15 4.39 -1.82 -3.39 114.58 114.06 1v4w h GLU 118 Ca 0.04 0.00 -0.76 0.00 0.34 0.00 0.00 59.36 58.98 1v4w h GLU 118 Cb 0.87 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.36 1v4w h GLU 118 CO 0.07 0.49 1.95 0.34 -1.16 0.00 0.00 179.01 180.70 1v4w n PHE 119 N -3.16 2.80 -1.53 4.33 -0.00 -0.70 -4.79 117.46 114.41 1v4w n PHE 119 Ca -0.01 -2.76 -0.30 0.00 -0.00 0.00 0.00 57.45 54.38 1v4w n PHE 119 Cb 0.77 -1.85 0.09 0.00 -0.00 0.00 0.00 39.48 38.49 1v4w n PHE 119 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1v4w s THR 120 N -0.19 3.10 0.45 -2.13 -4.23 -1.26 -4.77 115.64 106.60 1v4w s THR 120 Ca 0.41 0.36 0.14 0.00 -1.18 0.00 0.00 61.69 61.41 1v4w s THR 120 Cb 0.10 -3.08 0.31 0.00 1.34 0.00 0.00 72.50 71.18 1v4w s THR 120 CO 0.00 -0.46 2.02 -0.65 -0.54 0.00 0.00 174.62 174.99 1v4w h PRO 121 N -1.10 0.33 -0.56 3.99 0.11 -1.98 0.13 132.00 132.92 1v4w h PRO 121 Ca -0.47 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1v4w h PRO 121 Cb 1.27 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1v4w h PRO 121 CO 0.59 0.22 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.08 1v4w h ASP 122 N 0.34 1.03 -0.03 -2.05 5.19 -1.96 -1.01 116.42 117.92 1v4w h ASP 122 Ca 0.21 -0.33 -0.20 0.00 -0.62 0.00 0.00 57.03 56.09 1v4w h ASP 122 Cb 0.40 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1v4w h ASP 122 CO -0.05 1.12 -0.71 0.00 -3.12 0.00 0.00 179.24 176.48 1v4w h ALA 123 N 0.97 0.45 -0.49 3.45 0.00 -1.61 -3.07 119.26 118.95 1v4w h ALA 123 Ca 0.15 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.52 1v4w h ALA 123 Cb 0.65 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1v4w h ALA 123 CO 0.04 0.71 0.25 1.25 0.00 0.00 0.00 179.25 181.50 1v4w h HIS 124 N 0.47 0.45 -0.44 0.00 6.17 -0.56 0.11 115.15 121.36 1v4w h HIS 124 Ca -0.03 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.05 1v4w h HIS 124 Cb 1.31 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 31.09 1v4w h HIS 124 CO 0.07 0.22 0.22 0.28 0.71 0.00 0.00 177.93 179.43 1v4w h VAL 125 N 0.49 1.18 -0.51 5.26 2.07 -1.18 0.62 116.25 124.18 1v4w h VAL 125 Ca 0.22 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1v4w h VAL 125 Cb 0.12 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1v4w h VAL 125 CO -0.15 0.19 0.03 0.28 0.02 0.00 0.00 177.57 177.94 1v4w h SER 126 N 0.57 0.85 -0.27 0.57 0.02 -1.40 -0.87 113.55 113.03 1v4w h SER 126 Ca 0.15 -0.29 -0.12 0.00 -0.84 0.00 0.00 61.79 60.69 1v4w h SER 126 Cb 0.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1v4w h SER 126 CO -0.02 0.93 -0.26 0.25 -1.14 0.00 0.00 176.83 176.59 1v4w h LEU 127 N 0.74 0.78 -0.65 5.07 5.85 -0.66 0.08 115.31 126.51 1v4w h LEU 127 Ca 0.15 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1v4w h LEU 127 Cb 0.48 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1v4w h LEU 127 CO 0.02 1.00 0.24 -0.78 -0.34 0.00 0.00 178.44 178.58 1v4w h ASP 128 N 0.65 0.92 -0.46 1.25 -0.00 -0.65 0.41 116.42 118.55 1v4w h ASP 128 Ca 0.08 -0.19 -0.02 0.00 -0.00 0.00 0.00 57.03 56.90 1v4w h ASP 128 Cb 0.78 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.85 1v4w h ASP 128 CO 0.06 0.86 0.19 0.11 -0.00 0.00 0.00 179.24 180.47 1v4w h LYS 129 N 0.93 0.68 -0.16 0.28 1.57 -0.94 -0.97 116.57 117.95 1v4w h LYS 129 Ca 0.22 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1v4w h LYS 129 Cb 0.24 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1v4w h LYS 129 CO -0.01 0.60 0.01 0.35 -0.57 0.00 0.00 179.45 179.83 1v4w h PHE 130 N 0.59 0.02 0.00 -1.35 3.04 -0.64 -0.22 116.94 118.38 1v4w h PHE 130 Ca 0.15 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.04 1v4w h PHE 130 Cb 0.17 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1v4w h PHE 130 CO -0.00 -0.01 -0.35 -0.07 -2.02 0.00 0.00 178.31 175.87 1v4w h LEU 131 N 0.07 0.00 -0.50 0.59 3.38 -0.76 -0.07 115.31 118.02 1v4w h LEU 131 Ca 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1v4w h LEU 131 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1v4w h LEU 131 CO -0.12 0.35 0.10 0.00 0.09 0.00 0.00 178.44 178.86 1v4w h ALA 132 N 1.65 0.67 -0.84 1.53 0.00 -0.67 -0.65 119.26 120.96 1v4w h ALA 132 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1v4w h ALA 132 Cb 0.63 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1v4w h ALA 132 CO 0.05 0.38 0.41 0.77 0.00 0.00 0.00 179.25 180.86 1v4w h SER 133 N 0.71 1.08 -0.35 0.00 0.02 -0.13 -1.13 113.55 113.75 1v4w h SER 133 Ca 0.16 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 1v4w h SER 133 Cb 0.37 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1v4w h SER 133 CO 0.01 0.90 0.06 0.58 -1.14 0.00 0.00 176.83 177.24 1v4w h VAL 134 N 1.19 1.24 -0.74 2.27 2.07 -0.88 0.12 116.25 121.52 1v4w h VAL 134 Ca 0.29 -0.83 0.04 0.00 0.82 0.00 0.00 66.70 67.02 1v4w h VAL 134 Cb 0.10 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1v4w h VAL 134 CO -0.04 0.28 0.46 0.00 0.02 0.00 0.00 177.57 178.29 1v4w h ALA 135 N 0.90 0.97 -0.42 1.67 0.00 -0.92 0.11 119.26 121.57 1v4w h ALA 135 Ca 0.11 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1v4w h ALA 135 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1v4w h ALA 135 CO 0.01 0.23 -0.17 1.25 0.00 0.00 0.00 179.25 180.57 1v4w h LEU 136 N 0.88 0.88 -1.11 0.00 5.85 -0.93 -1.69 115.31 119.20 1v4w h LEU 136 Ca 0.30 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1v4w h LEU 136 Cb 0.05 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1v4w h LEU 136 CO -0.12 1.07 0.60 0.00 -0.34 0.00 0.00 178.44 179.65 1v4w h ALA 137 N 0.84 1.38 0.00 1.25 0.00 -0.37 -2.02 119.26 120.34 1v4w h ALA 137 Ca 0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1v4w h ALA 137 Cb 0.72 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1v4w h ALA 137 CO 0.05 0.56 -0.33 -0.07 0.00 0.00 0.00 179.25 179.46 1v4w h LEU 138 N 1.20 0.00 -0.10 0.00 3.38 -0.54 -2.67 115.31 116.58 1v4w h LEU 138 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1v4w h LEU 138 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1v4w h LEU 138 CO -0.09 0.33 -0.18 0.00 0.09 0.00 0.00 178.44 178.59 1v4w n ALA 139 N -2.35 2.84 -0.20 1.53 0.00 -0.66 -4.39 120.51 117.29 1v4w n ALA 139 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 53.44 53.18 1v4w n ALA 139 Cb 0.43 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.66 1v4w n ALA 139 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1v4w h GLU 140 N 0.26 0.45 -0.09 0.00 4.39 -1.08 -2.52 114.58 115.99 1v4w h GLU 140 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1v4w h GLU 140 Cb 0.44 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1v4w h GLU 140 CO 0.00 0.30 0.00 0.54 -1.16 0.00 0.00 179.01 178.69 1v4w n ARG 141 N -4.95 1.53 0.01 2.33 5.12 -1.26 -4.30 116.66 115.15 1v4w n ARG 141 Ca 0.08 -0.80 -0.09 0.00 -1.93 0.00 0.00 57.85 55.11 1v4w n ARG 141 Cb 0.24 -1.40 0.06 0.00 -1.16 0.00 0.00 32.46 30.19 1v4w n ARG 141 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1v4w h TYR 142 N 1.69 0.67 0.00 -1.55 -1.99 -1.75 -3.48 116.97 110.56 1v4w h TYR 142 Ca 0.00 -0.24 0.00 0.00 2.00 0.00 0.00 58.73 60.49 1v4w h TYR 142 Cb 0.37 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1v4w h TYR 142 CO 0.06 0.97 0.00 2.89 -0.00 0.00 0.00 178.16 182.08