#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3y h LEU 4 N 0.00 -0.90 0.44 -2.67 8.10 -2.05 0.17 115.31 118.40 1g3y h LEU 4 Ca 0.00 0.21 -0.02 0.00 0.11 0.00 0.00 57.88 58.18 1g3y h LEU 4 Cb 0.00 0.49 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 1g3y h LEU 4 CO 0.00 -0.27 -0.21 0.58 -4.11 0.00 0.00 178.44 174.43 1g3y h VAL 5 N -0.09 0.57 -0.64 0.15 2.07 -2.05 -0.93 116.25 115.32 1g3y h VAL 5 Ca 0.27 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.87 1g3y h VAL 5 Cb 0.52 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1g3y h VAL 5 CO -0.67 0.00 0.43 0.44 0.02 0.00 0.00 177.57 177.79 1g3y h ASP 6 N -0.60 0.46 0.12 0.57 5.19 -1.83 -0.11 116.42 120.22 1g3y h ASP 6 Ca -0.06 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.35 1g3y h ASP 6 Cb 0.46 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.88 1g3y h ASP 6 CO 0.10 0.28 -0.06 0.74 -3.12 0.00 0.00 179.24 177.18 1g3y h THR 7 N 0.51 1.02 -0.45 0.35 2.02 -0.19 -1.03 112.91 115.14 1g3y h THR 7 Ca 0.29 -0.63 0.04 0.00 0.77 0.00 0.00 66.41 66.88 1g3y h THR 7 Cb 0.48 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 1g3y h THR 7 CO -0.09 0.15 0.22 0.74 0.37 0.00 0.00 175.52 176.91 1g3y h THR 8 N -0.46 0.96 -0.66 3.16 2.02 -0.39 0.13 112.91 117.67 1g3y h THR 8 Ca -0.02 -0.15 0.06 0.00 0.77 0.00 0.00 66.41 67.07 1g3y h THR 8 Cb 0.37 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1g3y h THR 8 CO 0.03 0.08 0.36 -0.33 0.37 0.00 0.00 175.52 176.03 1g3y h GLU 9 N 0.44 0.64 -0.68 6.66 5.08 -0.97 0.95 114.58 126.70 1g3y h GLU 9 Ca 0.20 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1g3y h GLU 9 Cb 0.11 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1g3y h GLU 9 CO -0.14 0.43 0.33 1.98 -1.00 0.00 0.00 179.01 180.61 1g3y h MET 10 N 0.66 0.97 -0.28 2.33 4.05 -0.17 -1.36 114.93 121.12 1g3y h MET 10 Ca 0.30 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 1g3y h MET 10 Cb 0.20 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 1g3y h MET 10 CO -0.19 0.76 0.11 1.88 0.23 0.00 0.00 176.91 179.70 1g3y h TYR 11 N 0.94 0.43 -0.70 1.39 -1.99 0.42 -1.87 116.97 115.60 1g3y h TYR 11 Ca 0.23 -0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.93 1g3y h TYR 11 Cb 0.10 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 1g3y h TYR 11 CO 0.00 0.44 0.46 -0.07 -0.00 0.00 0.00 178.16 178.99 1g3y h LEU 12 N 0.30 0.80 -0.73 3.88 3.38 -0.71 -1.17 115.31 121.07 1g3y h LEU 12 Ca 0.09 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 1g3y h LEU 12 Cb 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1g3y h LEU 12 CO -0.01 0.59 0.30 -0.09 0.09 0.00 0.00 178.44 179.32 1g3y h ARG 13 N 0.94 1.09 -0.11 1.13 2.43 -1.14 -1.48 114.38 117.25 1g3y h ARG 13 Ca 0.25 -0.19 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 1g3y h ARG 13 Cb -0.10 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1g3y h ARG 13 CO -0.05 0.89 0.02 1.15 -1.51 0.00 0.00 179.97 180.47 1g3y h THR 14 N 1.05 0.95 -1.00 0.20 2.02 -0.71 0.23 112.91 115.65 1g3y h THR 14 Ca 0.24 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.46 1g3y h THR 14 Cb 0.20 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 1g3y h THR 14 CO -0.02 0.01 0.65 0.40 0.37 0.00 0.00 175.52 176.93 1g3y h ILE 15 N 0.07 1.10 0.42 3.11 2.04 -0.96 -1.28 117.51 122.01 1g3y h ILE 15 Ca 0.05 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1g3y h ILE 15 Cb 0.04 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 35.94 1g3y h ILE 15 CO -0.07 0.22 -0.20 0.22 0.00 0.00 0.00 178.15 178.32 1g3y h TYR 16 N 1.18 -0.52 -0.34 1.37 5.03 -0.67 -2.04 116.97 120.98 1g3y h TYR 16 Ca 0.42 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.79 1g3y h TYR 16 Cb 0.14 0.17 -0.07 0.00 1.55 0.00 0.00 36.73 38.52 1g3y h TYR 16 CO -0.00 -0.30 -0.14 0.93 -1.32 0.00 0.00 178.16 177.34 1g3y h GLU 17 N -0.61 -0.07 -0.30 1.82 5.08 -0.45 -0.09 114.58 119.96 1g3y h GLU 17 Ca -0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1g3y h GLU 17 Cb 0.46 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1g3y h GLU 17 CO 0.09 -0.05 0.06 -0.07 -1.00 0.00 0.00 179.01 178.05 1g3y h LEU 18 N -0.07 0.02 -0.36 1.33 3.38 -1.17 0.22 115.31 118.65 1g3y h LEU 18 Ca 0.17 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1g3y h LEU 18 Cb 0.33 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1g3y h LEU 18 CO -0.39 0.05 0.08 -0.33 0.09 0.00 0.00 178.44 177.94 1g3y h GLU 19 N 0.17 0.21 -0.32 1.13 5.08 -0.72 0.26 114.58 120.39 1g3y h GLU 19 Ca 0.14 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1g3y h GLU 19 Cb 0.14 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1g3y h GLU 19 CO -0.18 0.14 0.19 1.49 -1.00 0.00 0.00 179.01 179.65 1g3y h GLU 20 N 0.21 0.42 0.00 2.33 4.81 -0.19 0.22 114.58 122.38 1g3y h GLU 20 Ca 0.17 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1g3y h GLU 20 Cb 0.19 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.47 1g3y h GLU 20 CO -0.21 0.29 -0.20 0.39 -0.73 0.00 0.00 179.01 178.54 1g3y n GLU 21 N -4.47 0.14 -0.24 1.92 1.02 0.71 -4.92 120.64 114.79 1g3y n GLU 21 Ca 0.02 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1g3y n GLU 21 Cb 0.08 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1g3y n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1g3y n GLY 22 N 1.41 0.72 3.81 0.62 0.00 0.54 -5.06 105.19 107.23 1g3y n GLY 22 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1g3y n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3y s VAL 23 N -2.31 4.42 -0.16 1.61 1.01 0.62 -4.95 120.40 120.64 1g3y s VAL 23 Ca 0.00 1.46 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 1g3y s VAL 23 Cb 0.00 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1g3y s VAL 23 CO 0.00 -0.05 1.00 -0.89 0.00 0.00 0.00 175.10 175.16 1g3y s THR 24 N -1.84 4.75 -1.09 3.92 2.01 -1.26 -3.68 115.64 118.45 1g3y s THR 24 Ca 0.53 2.00 -0.24 0.00 0.31 0.00 0.00 61.69 64.29 1g3y s THR 24 Cb -0.14 -4.30 -0.12 0.00 0.01 0.00 0.00 72.50 67.96 1g3y s THR 24 CO 0.19 -0.06 2.02 -2.84 -0.69 0.00 0.00 174.62 173.23 1g3y s PRO 25 N 2.48 2.10 -0.02 4.92 0.02 -1.26 -4.90 135.00 138.33 1g3y s PRO 25 Ca 0.46 -0.73 -0.03 0.00 0.02 0.00 0.00 61.00 60.72 1g3y s PRO 25 Cb -0.17 -5.12 -0.04 0.00 0.02 0.00 0.00 34.50 29.20 1g3y s PRO 25 CO 0.13 -4.32 0.18 -0.51 -0.33 0.00 0.00 177.00 172.14 1g3y s LEU 26 N 12.71 4.36 0.19 -5.54 1.43 -1.26 -0.87 118.68 129.71 1g3y s LEU 26 Ca 0.74 0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 54.04 1g3y s LEU 26 Cb -0.04 -2.56 0.19 0.00 0.03 0.00 0.00 46.19 43.81 1g3y s LEU 26 CO 0.12 0.28 1.64 0.03 0.23 0.00 0.00 176.35 178.64 1g3y h ARG 27 N 3.92 -0.01 -0.08 1.70 3.08 -1.91 -0.39 114.38 120.68 1g3y h ARG 27 Ca -0.49 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.58 1g3y h ARG 27 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 1g3y h ARG 27 CO 0.68 -0.01 0.06 0.00 -1.07 0.00 0.00 179.97 179.63 1g3y h ALA 28 N 1.52 1.97 -0.15 0.04 0.00 -1.95 0.17 119.26 120.86 1g3y h ALA 28 Ca 0.26 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 1g3y h ALA 28 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1g3y h ALA 28 CO -0.58 -0.11 -0.36 0.00 0.00 0.00 0.00 179.25 178.21 1g3y h ARG 29 N 0.00 0.52 -0.57 0.00 2.47 -1.45 -1.05 114.38 114.30 1g3y h ARG 29 Ca 0.04 -0.35 -0.09 0.00 -1.26 0.00 0.00 59.98 58.32 1g3y h ARG 29 Cb 0.17 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1g3y h ARG 29 CO -0.00 0.96 0.00 0.82 0.56 0.00 0.00 179.97 182.31 1g3y h ILE 30 N 0.15 1.26 0.05 2.04 2.04 -0.69 -0.32 117.51 122.04 1g3y h ILE 30 Ca -0.00 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.73 1g3y h ILE 30 Cb 0.96 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1g3y h ILE 30 CO 0.08 0.41 -0.05 0.00 0.00 0.00 0.00 178.15 178.59 1g3y h ALA 31 N 0.97 -0.09 0.59 1.87 0.00 -0.67 -0.74 119.26 121.18 1g3y h ALA 31 Ca 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1g3y h ALA 31 Cb 0.55 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1g3y h ALA 31 CO 0.03 -0.56 -0.40 1.49 0.00 0.00 0.00 179.25 179.81 1g3y h GLU 32 N -0.11 -0.92 -0.88 0.00 4.81 -0.96 0.18 114.58 116.71 1g3y h GLU 32 Ca 0.00 0.06 0.14 0.00 -0.13 0.00 0.00 59.36 59.44 1g3y h GLU 32 Cb 0.10 0.21 -0.07 0.00 0.63 0.00 0.00 28.75 29.62 1g3y h GLU 32 CO -0.01 -0.61 0.57 -0.09 -0.73 0.00 0.00 179.01 178.13 1g3y h ARG 33 N -0.95 0.65 -0.17 1.92 9.65 -0.96 0.71 114.38 125.23 1g3y h ARG 33 Ca -0.07 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1g3y h ARG 33 Cb 0.79 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 1g3y h ARG 33 CO 0.04 0.43 0.00 1.28 2.80 0.00 0.00 179.97 184.52 1g3y n LEU 34 N -4.55 2.18 -4.03 3.80 4.77 -0.29 -4.94 117.00 113.93 1g3y n LEU 34 Ca 0.17 -0.86 -0.30 0.00 -0.03 0.00 0.00 56.01 54.99 1g3y n LEU 34 Cb 0.48 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1g3y n LEU 34 CO 0.30 0.43 -0.11 -0.62 -1.33 0.00 0.00 177.39 176.06 1g3y n GLU 35 N 0.67 -3.61 -4.37 3.23 1.02 0.26 -4.96 120.64 112.88 1g3y n GLU 35 Ca 0.17 0.43 -0.24 0.00 -0.02 0.00 0.00 57.16 57.50 1g3y n GLU 35 Cb 0.43 -4.88 -0.09 0.00 -0.02 0.00 0.00 31.44 26.88 1g3y n GLU 35 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1g3y s GLN 36 N -6.67 2.03 0.45 3.49 -1.52 0.39 -5.03 119.66 112.80 1g3y s GLN 36 Ca 0.35 -1.63 -0.07 0.00 -1.95 0.00 0.00 55.36 52.06 1g3y s GLN 36 Cb -0.19 -1.97 -0.05 0.00 -0.22 0.00 0.00 33.01 30.59 1g3y s GLN 36 CO 0.89 0.29 0.78 -1.54 -0.25 0.00 0.00 175.29 175.46 1g3y s SER 37 N -3.63 6.36 0.12 5.90 1.04 -1.26 -4.27 113.70 117.96 1g3y s SER 37 Ca 0.32 1.00 -0.26 0.00 0.48 0.00 0.00 55.95 57.49 1g3y s SER 37 Cb -0.04 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.75 1g3y s SER 37 CO 0.18 -0.51 1.63 1.23 0.98 0.00 0.00 173.24 176.75 1g3y h GLY 38 N 0.63 -0.43 0.13 7.32 0.00 -1.94 -1.18 103.07 107.60 1g3y h GLY 38 Ca -0.47 0.33 0.11 0.00 0.00 0.00 0.00 47.33 47.30 1g3y h GLY 38 CO 0.63 -0.22 0.03 -2.55 0.00 0.00 0.00 176.54 174.43 1g3y h PRO 39 N -0.42 0.14 -0.49 4.80 0.11 -1.99 0.94 132.00 135.09 1g3y h PRO 39 Ca 0.06 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.18 1g3y h PRO 39 Cb 0.50 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1g3y h PRO 39 CO -0.24 0.09 0.30 1.15 -0.21 0.00 0.00 178.00 179.10 1g3y h THR 40 N 0.15 1.08 -0.15 -1.15 2.02 -1.85 -0.72 112.91 112.28 1g3y h THR 40 Ca 0.28 -0.21 -0.13 0.00 0.77 0.00 0.00 66.41 67.12 1g3y h THR 40 Cb 0.43 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1g3y h THR 40 CO -0.43 0.11 -0.45 -0.37 0.37 0.00 0.00 175.52 174.75 1g3y h VAL 41 N 0.61 1.32 -0.61 3.16 -1.51 -0.59 -1.20 116.25 117.43 1g3y h VAL 41 Ca 0.19 -1.64 -0.04 0.00 -1.23 0.00 0.00 66.70 63.98 1g3y h VAL 41 Cb -0.02 1.70 -0.03 0.00 -2.13 0.00 0.00 31.29 30.82 1g3y h VAL 41 CO -0.07 0.50 0.21 -1.28 -1.23 0.00 0.00 177.57 175.70 1g3y h SER 42 N 0.30 0.84 0.18 4.19 0.87 -0.25 0.40 113.55 120.08 1g3y h SER 42 Ca 0.02 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1g3y h SER 42 Cb 0.91 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1g3y h SER 42 CO 0.08 0.78 -0.09 -0.61 -0.53 0.00 0.00 176.83 176.45 1g3y h GLN 43 N 0.89 -0.24 -0.51 2.24 4.15 -0.67 0.13 115.11 121.10 1g3y h GLN 43 Ca 0.20 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.60 1g3y h GLN 43 Cb 0.22 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1g3y h GLN 43 CO -0.01 0.01 0.17 1.15 -1.93 0.00 0.00 178.83 178.22 1g3y h THR 44 N -0.46 1.23 -0.34 2.39 2.02 -0.90 -1.87 112.91 114.99 1g3y h THR 44 Ca -0.03 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 1g3y h THR 44 Cb 0.35 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1g3y h THR 44 CO 0.04 0.27 -0.04 0.58 0.37 0.00 0.00 175.52 176.74 1g3y h VAL 45 N 0.69 1.21 0.00 3.16 2.07 -0.17 0.15 116.25 123.36 1g3y h VAL 45 Ca 0.17 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 1g3y h VAL 45 Cb 0.25 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1g3y h VAL 45 CO -0.01 0.30 -0.06 0.00 0.02 0.00 0.00 177.57 177.82 1g3y h ALA 46 N 1.45 1.04 0.09 1.67 0.00 -0.35 -1.90 119.26 121.26 1g3y h ALA 46 Ca 0.10 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 1g3y h ALA 46 Cb 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1g3y h ALA 46 CO 0.02 0.08 -1.64 -0.09 0.00 0.00 0.00 179.25 177.61 1g3y h ARG 47 N 0.00 0.19 -0.28 0.00 2.43 -0.22 -3.29 114.38 113.21 1g3y h ARG 47 Ca -0.00 -0.32 -0.08 0.00 -0.81 0.00 0.00 59.98 58.77 1g3y h ARG 47 Cb 0.48 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1g3y h ARG 47 CO 0.01 0.99 -0.16 0.52 -1.51 0.00 0.00 179.97 179.81 1g3y h MET 48 N 0.05 0.48 -0.20 0.20 2.86 -0.70 -2.65 114.93 114.97 1g3y h MET 48 Ca -0.28 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1g3y h MET 48 Cb 2.01 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 33.61 1g3y h MET 48 CO 0.13 0.63 0.12 0.93 1.06 0.00 0.00 176.91 179.79 1g3y h GLU 49 N 0.44 0.28 -0.02 1.72 5.08 -1.47 -1.12 114.58 119.49 1g3y h GLU 49 Ca 0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1g3y h GLU 49 Cb 0.54 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1g3y h GLU 49 CO 0.03 0.22 0.11 0.00 -1.00 0.00 0.00 179.01 178.37 1g3y h ARG 50 N 0.25 0.00 -0.68 2.33 3.08 -1.54 0.16 114.38 117.98 1g3y h ARG 50 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1g3y h ARG 50 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1g3y h ARG 50 CO -0.01 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.64 1g3y n ASP 51 N -3.13 4.02 -3.31 7.04 9.92 -0.79 -4.95 116.55 125.34 1g3y n ASP 51 Ca -0.02 -2.09 -0.23 0.00 -0.53 0.00 0.00 54.79 51.92 1g3y n ASP 51 Cb 0.18 -0.48 0.06 0.00 -0.64 0.00 0.00 41.12 40.23 1g3y n ASP 51 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g3y n GLY 52 N 1.44 -0.54 0.08 0.44 0.00 0.56 -4.90 105.19 102.27 1g3y n GLY 52 Ca 0.24 0.20 -0.06 0.00 0.00 0.00 0.00 46.02 46.39 1g3y n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1g3y n LEU 53 N -4.52 0.00 -3.73 0.99 4.77 -0.49 -4.30 117.00 109.72 1g3y n LEU 53 Ca -0.05 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 1g3y n LEU 53 Cb 0.59 0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 42.01 1g3y n LEU 53 CO 0.56 0.39 0.06 0.54 -1.33 0.00 0.00 177.39 177.62 1g3y s VAL 54 N -2.60 0.09 -0.06 4.08 0.11 -1.24 -1.87 120.40 118.92 1g3y s VAL 54 Ca -0.09 -0.73 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 1g3y s VAL 54 Cb 0.07 -1.11 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1g3y s VAL 54 CO 0.78 -0.40 -0.04 0.54 -3.33 0.00 0.00 175.10 172.65 1g3y s VAL 55 N -3.26 0.57 -0.51 2.04 0.11 0.58 -4.17 120.40 115.76 1g3y s VAL 55 Ca -0.00 -0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 58.68 1g3y s VAL 55 Cb 0.01 -0.62 0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1g3y s VAL 55 CO -0.08 0.25 1.23 -0.69 -3.33 0.00 0.00 175.10 172.48 1g3y s VAL 56 N 1.27 4.05 0.98 2.04 1.01 -1.26 -0.77 120.40 127.72 1g3y s VAL 56 Ca -0.05 1.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 1g3y s VAL 56 Cb -0.14 -4.57 0.18 0.00 0.00 0.00 0.00 36.38 31.86 1g3y s VAL 56 CO -0.02 -1.10 1.12 0.00 0.00 0.00 0.00 175.10 175.10 1g3y s ALA 57 N 4.95 0.98 0.29 5.51 0.00 0.18 -4.77 121.76 128.89 1g3y s ALA 57 Ca 0.49 0.43 0.14 0.00 0.00 0.00 0.00 51.96 53.02 1g3y s ALA 57 Cb -0.09 -3.41 0.75 0.00 0.00 0.00 0.00 23.12 20.38 1g3y s ALA 57 CO 0.29 -3.05 1.33 0.77 0.00 0.00 0.00 175.76 175.11 1g3y h SER 58 N -2.07 0.00 -0.19 0.00 0.02 -1.94 0.51 113.55 109.88 1g3y h SER 58 Ca -0.48 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 1g3y h SER 58 Cb 1.28 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.77 1g3y h SER 58 CO 0.43 0.00 -0.24 -0.90 -1.14 0.00 0.00 176.83 174.99 1g3y n ASP 59 N -2.25 2.22 0.00 3.07 5.75 -1.26 -4.95 116.55 119.12 1g3y n ASP 59 Ca -0.01 -3.76 0.00 0.00 -0.01 0.00 0.00 54.79 51.01 1g3y n ASP 59 Cb 0.47 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 1g3y n ASP 59 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1g3y n ARG 60 N -1.11 -0.55 -2.95 0.11 0.00 0.18 -4.97 116.66 107.37 1g3y n ARG 60 Ca 0.26 0.14 -0.40 0.00 -0.00 0.00 0.00 57.85 57.85 1g3y n ARG 60 Cb 0.87 -4.22 -0.06 0.00 -0.00 0.00 0.00 32.46 29.05 1g3y n ARG 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1g3y s SER 61 N -2.15 7.41 -0.29 2.89 1.04 -1.25 -4.25 113.70 117.10 1g3y s SER 61 Ca 0.00 1.67 -0.25 0.00 0.48 0.00 0.00 55.95 57.86 1g3y s SER 61 Cb 0.00 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1g3y s SER 61 CO 0.00 0.18 0.85 -0.76 0.98 0.00 0.00 173.24 174.49 1g3y s LEU 62 N -1.04 4.06 -0.25 2.42 1.43 -0.05 0.52 118.68 125.78 1g3y s LEU 62 Ca 0.37 0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 54.22 1g3y s LEU 62 Cb -0.23 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 1g3y s LEU 62 CO 0.27 -0.63 0.11 -1.10 0.23 0.00 0.00 176.35 175.23 1g3y s GLN 63 N 3.04 3.83 0.04 1.70 -0.21 0.06 -4.78 119.66 123.33 1g3y s GLN 63 Ca 0.35 -0.39 -0.30 0.00 0.02 0.00 0.00 55.36 55.04 1g3y s GLN 63 Cb -0.14 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.40 1g3y s GLN 63 CO 0.11 -0.10 1.04 -1.64 -2.12 0.00 0.00 175.29 172.58 1g3y s MET 64 N 1.43 4.55 0.85 2.91 -1.94 -1.26 -0.31 119.30 125.54 1g3y s MET 64 Ca 0.06 1.53 -0.11 0.00 -1.71 0.00 0.00 55.69 55.46 1g3y s MET 64 Cb -0.15 -3.41 0.10 0.00 2.01 0.00 0.00 34.83 33.39 1g3y s MET 64 CO 0.06 -0.05 1.09 0.95 -0.01 0.00 0.00 175.02 177.06 1g3y s THR 65 N 0.79 2.82 0.35 2.05 -4.23 -0.78 -4.66 115.64 111.97 1g3y s THR 65 Ca 0.53 0.27 0.10 0.00 -1.18 0.00 0.00 61.69 61.40 1g3y s THR 65 Cb -0.24 -2.86 0.33 0.00 1.34 0.00 0.00 72.50 71.07 1g3y s THR 65 CO 0.29 -0.35 1.82 -0.65 -0.54 0.00 0.00 174.62 175.19 1g3y h PRO 66 N -1.35 0.64 0.17 3.99 0.11 -1.89 0.10 132.00 133.77 1g3y h PRO 66 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1g3y h PRO 66 Cb 1.28 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1g3y h PRO 66 CO 0.57 0.43 -0.08 1.15 -0.21 0.00 0.00 178.00 179.85 1g3y h THR 67 N 0.66 0.92 -0.90 -1.15 2.02 -1.90 -0.37 112.91 112.18 1g3y h THR 67 Ca 0.52 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1g3y h THR 67 Cb 0.93 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 1g3y h THR 67 CO -0.28 0.09 0.57 1.23 0.37 0.00 0.00 175.52 177.50 1g3y h GLY 68 N -0.41 1.29 1.29 2.16 0.00 -1.35 -1.98 103.07 104.07 1g3y h GLY 68 Ca -0.02 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 1g3y h GLY 68 CO 0.04 0.50 -0.09 -0.09 0.00 0.00 0.00 176.54 176.90 1g3y h ARG 69 N 1.23 0.84 -0.47 4.80 2.43 -0.64 0.28 114.38 122.85 1g3y h ARG 69 Ca 0.33 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1g3y h ARG 69 Cb -0.10 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 1g3y h ARG 69 CO -0.07 0.90 0.14 1.15 -1.51 0.00 0.00 179.97 180.59 1g3y h THR 70 N 0.76 1.19 0.03 0.20 2.02 -0.60 0.03 112.91 116.55 1g3y h THR 70 Ca 0.13 -0.66 -0.16 0.00 0.77 0.00 0.00 66.41 66.50 1g3y h THR 70 Cb 0.59 0.68 0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1g3y h THR 70 CO 0.04 0.25 -0.63 0.25 0.37 0.00 0.00 175.52 175.79 1g3y h LEU 71 N 0.68 0.50 -0.74 2.58 5.85 -0.84 -2.95 115.31 120.39 1g3y h LEU 71 Ca 0.16 -0.80 0.10 0.00 0.84 0.00 0.00 57.88 58.18 1g3y h LEU 71 Cb 0.21 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 1g3y h LEU 71 CO -0.01 1.25 0.37 0.00 -0.34 0.00 0.00 178.44 179.71 1g3y h ALA 72 N 0.26 1.03 -0.57 1.25 0.00 -0.12 -1.10 119.26 120.01 1g3y h ALA 72 Ca -0.09 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1g3y h ALA 72 Cb 1.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1g3y h ALA 72 CO 0.12 -0.05 0.33 1.15 0.00 0.00 0.00 179.25 180.80 1g3y h THR 73 N 0.61 1.18 -0.29 0.00 2.02 -1.06 -2.01 112.91 113.37 1g3y h THR 73 Ca 0.37 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1g3y h THR 73 Cb 0.42 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1g3y h THR 73 CO -0.29 0.19 0.02 0.00 0.37 0.00 0.00 175.52 175.81 1g3y h ALA 74 N 1.16 1.50 -0.06 6.16 0.00 -1.04 -0.81 119.26 126.17 1g3y h ALA 74 Ca 0.20 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 1g3y h ALA 74 Cb 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1g3y h ALA 74 CO -0.04 0.36 -0.67 0.28 0.00 0.00 0.00 179.25 179.18 1g3y h VAL 75 N 0.42 1.41 -0.31 0.00 2.07 -0.99 -1.61 116.25 117.23 1g3y h VAL 75 Ca 0.10 -2.13 -0.15 0.00 0.82 0.00 0.00 66.70 65.33 1g3y h VAL 75 Cb 0.25 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1g3y h VAL 75 CO 0.00 0.63 -0.41 0.24 0.02 0.00 0.00 177.57 178.05 1g3y h MET 76 N 0.18 0.78 0.00 1.57 2.86 -0.59 -0.79 114.93 118.94 1g3y h MET 76 Ca -0.02 -0.41 -0.00 0.00 -2.06 0.00 0.00 59.70 57.21 1g3y h MET 76 Cb 1.21 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1g3y h MET 76 CO 0.11 1.04 -0.00 -0.09 1.06 0.00 0.00 176.91 179.03 1g3y h ARG 77 N 0.63 -0.01 0.00 1.72 2.43 -1.07 0.11 114.38 118.20 1g3y h ARG 77 Ca 0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1g3y h ARG 77 Cb 0.97 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.52 1g3y h ARG 77 CO 0.09 0.23 -0.13 0.87 -1.51 0.00 0.00 179.97 179.52 1g3y h LYS 78 N -0.24 0.00 0.29 0.20 1.57 -1.22 0.59 116.57 117.75 1g3y h LYS 78 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1g3y h LYS 78 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1g3y h LYS 78 CO 0.00 0.13 -0.14 1.25 -0.57 0.00 0.00 179.45 180.12 1g3y h HIS 79 N 0.00 -0.37 -0.52 -1.35 2.76 -0.95 -2.77 115.15 111.96 1g3y h HIS 79 Ca -0.00 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.26 1g3y h HIS 79 Cb 0.25 0.12 -0.08 0.00 1.55 0.00 0.00 27.41 29.24 1g3y h HIS 79 CO 0.00 -0.15 0.02 0.00 -1.30 0.00 0.00 177.93 176.50 1g3y h ALA 80 N -0.95 0.51 -0.11 5.26 0.00 -0.46 0.13 119.26 123.64 1g3y h ALA 80 Ca -0.04 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1g3y h ALA 80 Cb 0.38 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1g3y h ALA 80 CO 0.07 -0.37 -0.21 -0.07 0.00 0.00 0.00 179.25 178.66 1g3y h LEU 81 N 0.14 0.17 -0.42 0.00 4.07 -1.02 0.05 115.31 118.29 1g3y h LEU 81 Ca 0.26 -0.04 -0.06 0.00 0.08 0.00 0.00 57.88 58.12 1g3y h LEU 81 Cb 0.39 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 1g3y h LEU 81 CO -0.42 0.40 0.01 0.00 -1.08 0.00 0.00 178.44 177.35 1g3y h ALA 82 N 1.62 0.56 -0.48 1.53 0.00 -0.51 -0.45 119.26 121.54 1g3y h ALA 82 Ca 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1g3y h ALA 82 Cb 0.48 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1g3y h ALA 82 CO 0.03 0.34 0.16 0.93 0.00 0.00 0.00 179.25 180.71 1g3y h GLU 83 N 0.57 0.73 -0.35 0.00 5.08 -0.50 0.82 114.58 120.93 1g3y h GLU 83 Ca 0.12 -0.15 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1g3y h GLU 83 Cb 0.47 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1g3y h GLU 83 CO 0.02 0.68 0.17 0.00 -1.00 0.00 0.00 179.01 178.89 1g3y h ARG 84 N 0.63 0.35 -0.03 2.33 2.47 -0.83 -0.81 114.38 118.49 1g3y h ARG 84 Ca 0.15 -0.02 0.02 0.00 -1.26 0.00 0.00 59.98 58.88 1g3y h ARG 84 Cb 0.25 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1g3y h ARG 84 CO -0.01 0.23 -0.10 1.25 0.56 0.00 0.00 179.97 181.91 1g3y h LEU 85 N 0.36 -0.29 -1.24 3.04 5.85 -0.65 0.24 115.31 122.62 1g3y h LEU 85 Ca 0.15 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1g3y h LEU 85 Cb 0.06 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1g3y h LEU 85 CO -0.10 -0.14 0.31 -0.07 -0.34 0.00 0.00 178.44 178.10 1g3y h LEU 86 N -0.15 0.75 0.00 2.25 3.38 -0.44 0.28 115.31 121.38 1g3y h LEU 86 Ca 0.05 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1g3y h LEU 86 Cb 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1g3y h LEU 86 CO -0.12 0.62 -0.86 0.71 0.09 0.00 0.00 178.44 178.88 1g3y h THR 87 N 0.84 0.89 0.39 0.22 1.35 -1.04 0.40 112.91 115.95 1g3y h THR 87 Ca 0.21 -1.97 -0.02 0.00 -0.55 0.00 0.00 66.41 64.08 1g3y h THR 87 Cb 0.06 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1g3y h THR 87 CO -0.03 0.30 -0.19 0.44 -0.25 0.00 0.00 175.52 175.80 1g3y h ASP 88 N -1.00 -0.44 0.00 5.36 5.19 -1.00 -2.90 116.42 121.63 1g3y h ASP 88 Ca -0.22 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.12 1g3y h ASP 88 Cb 1.06 0.11 -0.00 0.00 0.18 0.00 0.00 39.33 40.68 1g3y h ASP 88 CO -0.13 -0.22 -0.60 -0.38 -3.12 0.00 0.00 179.24 174.79 1g3y n ILE 89 N -5.27 1.43 0.01 0.35 5.41 0.03 -4.54 119.36 116.77 1g3y n ILE 89 Ca -0.11 0.19 -0.08 0.00 1.00 0.00 0.00 62.75 63.76 1g3y n ILE 89 Cb 0.25 -2.36 0.09 0.00 -0.71 0.00 0.00 39.64 36.91 1g3y n ILE 89 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1g3y h ILE 90 N -1.00 1.31 -3.01 1.39 2.04 -1.49 -3.48 117.51 113.28 1g3y h ILE 90 Ca -0.03 -1.69 -0.15 0.00 1.00 0.00 0.00 64.86 63.99 1g3y h ILE 90 Cb 0.60 1.68 0.06 0.00 -0.74 0.00 0.00 36.82 38.42 1g3y h ILE 90 CO -0.02 0.53 -0.27 0.61 0.00 0.00 0.00 178.15 179.00 1g3y n GLY 91 N 0.11 0.31 3.79 5.37 0.00 0.10 -4.99 105.19 109.89 1g3y n GLY 91 Ca -0.02 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 1g3y n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1g3y s LEU 92 N -3.49 3.87 -0.03 0.99 2.96 0.88 -4.91 118.68 118.94 1g3y s LEU 92 Ca 0.16 2.02 -0.36 0.00 -0.22 0.00 0.00 54.13 55.72 1g3y s LEU 92 Cb -0.07 -4.51 -0.15 0.00 0.50 0.00 0.00 46.19 41.96 1g3y s LEU 92 CO 0.28 -0.85 1.61 -0.67 -1.32 0.00 0.00 176.35 175.40 1g3y n ASP 93 N -0.91 2.53 0.18 3.68 2.03 -1.26 -4.72 116.55 118.08 1g3y n ASP 93 Ca 0.09 1.07 0.18 0.00 0.52 0.00 0.00 54.79 56.65 1g3y n ASP 93 Cb 0.52 -1.27 0.75 0.00 -0.72 0.00 0.00 41.12 40.40 1g3y n ASP 93 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1g3y h ILE 94 N 4.34 0.22 -0.00 5.18 6.09 -1.96 0.39 117.51 131.77 1g3y h ILE 94 Ca -0.47 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1g3y h ILE 94 Cb 1.30 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.21 1g3y h ILE 94 CO 0.89 0.00 -0.01 0.59 -3.07 0.00 0.00 178.15 176.55 1g3y n ASN 95 N -3.38 0.13 -0.02 2.19 3.02 -1.26 -3.53 115.26 112.41 1g3y n ASN 95 Ca 0.04 -0.76 -0.02 0.00 -0.03 0.00 0.00 54.58 53.82 1g3y n ASN 95 Cb 0.56 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.62 1g3y n ASN 95 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1g3y n LYS 96 N -1.01 3.35 -0.35 3.52 4.76 0.13 -4.83 118.16 123.74 1g3y n LYS 96 Ca 0.20 -0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.75 1g3y n LYS 96 Cb 0.17 -1.09 0.22 0.00 -1.84 0.00 0.00 35.03 32.49 1g3y n LYS 96 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1g3y n VAL 97 N -2.14 -0.41 0.07 -0.18 0.31 -0.91 -1.91 118.33 113.15 1g3y n VAL 97 Ca -0.06 2.20 -0.12 0.00 -0.01 0.00 0.00 64.34 66.36 1g3y n VAL 97 Cb 0.62 -3.15 -0.08 0.00 -0.91 0.00 0.00 33.84 30.32 1g3y n VAL 97 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1g3y h HIS 98 N 0.00 -0.21 -0.23 3.52 -0.00 -1.88 -2.04 115.15 114.30 1g3y h HIS 98 Ca 0.54 -0.01 0.07 0.00 -0.00 0.00 0.00 60.37 60.97 1g3y h HIS 98 Cb 1.01 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.48 1g3y h HIS 98 CO -0.61 0.21 0.17 -0.44 -0.00 0.00 0.00 177.93 177.26 1g3y h ASP 99 N -0.80 0.01 0.11 3.26 5.19 -1.84 -0.63 116.42 121.73 1g3y h ASP 99 Ca -0.02 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1g3y h ASP 99 Cb 0.52 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1g3y h ASP 99 CO 0.04 0.01 -0.05 -0.08 -3.12 0.00 0.00 179.24 176.03 1g3y h GLU 100 N 0.01 -0.14 -0.89 3.56 4.57 -1.42 -3.15 114.58 117.12 1g3y h GLU 100 Ca 0.11 0.01 0.24 0.00 -1.18 0.00 0.00 59.36 58.54 1g3y h GLU 100 Cb 0.43 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 1g3y h GLU 100 CO -0.00 0.33 0.62 0.00 -1.18 0.00 0.00 179.01 178.78 1g3y h ALA 101 N 0.04 2.66 0.00 2.92 0.00 -0.40 0.11 119.26 124.60 1g3y h ALA 101 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1g3y h ALA 101 Cb 0.54 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1g3y h ALA 101 CO 0.02 -0.93 0.12 0.00 0.00 0.00 0.00 179.25 178.47 1g3y n ARG 103 N -2.95 0.63 0.00 0.00 1.74 0.37 -4.51 116.66 111.94 1g3y n ARG 103 Ca -0.03 0.17 0.06 0.00 -0.77 0.00 0.00 57.85 57.29 1g3y n ARG 103 Cb 0.18 -1.50 0.46 0.00 -1.02 0.00 0.00 32.46 30.58 1g3y n ARG 103 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1g3y h TRP 104 N -0.20 0.45 0.00 -1.55 4.06 -1.24 -1.72 115.95 115.75 1g3y h TRP 104 Ca -0.60 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.36 1g3y h TRP 104 Cb 1.83 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.84 1g3y h TRP 104 CO 0.01 0.27 0.00 1.05 -3.56 0.00 0.00 178.44 176.20 1g3y h GLU 105 N 0.47 0.00 0.00 0.49 4.11 -1.53 -0.20 114.58 117.92 1g3y h GLU 105 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 1g3y h GLU 105 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1g3y h GLU 105 CO -0.04 0.00 -0.84 0.72 0.07 0.00 0.00 179.01 178.92 1g3y n HIS 106 N -2.37 0.04 0.04 2.06 8.25 -0.65 -4.39 115.22 118.21 1g3y n HIS 106 Ca -0.01 0.01 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1g3y n HIS 106 Cb 0.05 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 30.98 1g3y n HIS 106 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1g3y n VAL 107 N -1.58 0.00 -2.56 1.59 0.24 -0.24 -5.02 118.33 110.76 1g3y n VAL 107 Ca 0.04 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.66 1g3y n VAL 107 Cb 0.35 0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 1g3y n VAL 107 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1g3y s MET 108 N -1.64 4.40 0.36 7.34 0.00 -0.29 -5.04 119.30 124.43 1g3y s MET 108 Ca 0.00 1.56 -0.02 0.00 0.00 0.00 0.00 55.69 57.23 1g3y s MET 108 Cb 0.01 -3.53 -0.04 0.00 0.00 0.00 0.00 34.83 31.28 1g3y s MET 108 CO 0.07 -0.35 0.60 -1.54 0.00 0.00 0.00 175.02 173.80 1g3y s SER 109 N 1.27 6.33 0.44 1.11 1.04 -1.26 -4.94 113.70 117.70 1g3y s SER 109 Ca 0.53 0.63 0.15 0.00 0.48 0.00 0.00 55.95 57.74 1g3y s SER 109 Cb -0.23 -2.11 1.06 0.00 0.10 0.00 0.00 66.02 64.84 1g3y s SER 109 CO 0.22 -0.32 1.99 0.44 0.98 0.00 0.00 173.24 176.54 1g3y h ASP 110 N 0.93 0.33 -0.22 7.02 5.19 -1.98 0.33 116.42 128.01 1g3y h ASP 110 Ca -0.49 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 55.92 1g3y h ASP 110 Cb 1.21 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.64 1g3y h ASP 110 CO 0.63 0.20 0.09 -0.33 -3.12 0.00 0.00 179.24 176.71 1g3y h GLU 111 N 0.37 0.33 -0.48 3.56 3.07 -1.99 0.56 114.58 120.01 1g3y h GLU 111 Ca 0.26 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 1g3y h GLU 111 Cb 0.55 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 1g3y h GLU 111 CO -0.07 0.37 0.27 0.28 -1.40 0.00 0.00 179.01 178.46 1g3y h VAL 112 N 0.22 1.16 -0.32 3.13 2.07 -1.41 -1.82 116.25 119.29 1g3y h VAL 112 Ca 0.08 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1g3y h VAL 112 Cb 0.16 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1g3y h VAL 112 CO -0.01 0.17 0.04 -0.33 0.02 0.00 0.00 177.57 177.46 1g3y h GLU 113 N 0.63 0.14 -0.85 1.57 5.08 -0.64 0.16 114.58 120.67 1g3y h GLU 113 Ca 0.17 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1g3y h GLU 113 Cb 0.04 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1g3y h GLU 113 CO -0.03 0.09 0.54 0.00 -1.00 0.00 0.00 179.01 178.61 1g3y h ARG 114 N 0.15 0.99 -0.30 2.33 3.08 -0.62 -0.28 114.38 119.72 1g3y h ARG 114 Ca 0.15 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1g3y h ARG 114 Cb 0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1g3y h ARG 114 CO -0.22 0.65 -0.22 0.00 -1.07 0.00 0.00 179.97 179.12 1g3y h ARG 115 N 1.02 0.56 -0.31 0.04 2.47 -0.41 -2.50 114.38 115.24 1g3y h ARG 115 Ca 0.35 -0.20 -0.12 0.00 -1.26 0.00 0.00 59.98 58.75 1g3y h ARG 115 Cb 0.08 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1g3y h ARG 115 CO -0.14 0.74 -0.30 -0.07 0.56 0.00 0.00 179.97 180.76 1g3y h LEU 116 N 0.50 0.66 -2.26 3.04 3.38 0.16 -0.14 115.31 120.65 1g3y h LEU 116 Ca 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1g3y h LEU 116 Cb 0.65 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1g3y h LEU 116 CO 0.05 0.92 -0.05 0.58 0.09 0.00 0.00 178.44 180.03 1g3y h VAL 117 N 0.55 0.57 0.00 1.22 2.07 -0.64 -0.16 116.25 119.86 1g3y h VAL 117 Ca 0.07 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1g3y h VAL 117 Cb 0.79 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1g3y h VAL 117 CO 0.06 0.04 -0.01 0.11 0.02 0.00 0.00 177.57 177.79 1g3y h LYS 118 N 0.00 0.00 -0.03 1.57 1.79 -1.05 -3.38 116.57 115.46 1g3y h LYS 118 Ca -0.00 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.48 1g3y h LYS 118 Cb 0.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1g3y h LYS 118 CO 0.01 0.00 0.03 -0.39 -1.08 0.00 0.00 179.45 178.01 1g3y h VAL 119 N -0.55 0.73 -3.56 0.50 -1.51 -0.95 -3.44 116.25 107.47 1g3y h VAL 119 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 66.70 64.95 1g3y h VAL 119 Cb 0.01 0.98 -0.03 0.00 -2.13 0.00 0.00 31.29 30.13 1g3y h VAL 119 CO 0.00 0.00 0.23 -0.76 -1.23 0.00 0.00 177.57 175.81 1g3y s LEU 120 N -8.29 4.57 0.20 4.19 1.43 -0.08 -4.99 118.68 115.71 1g3y s LEU 120 Ca -0.05 1.69 -0.09 0.00 -1.03 0.00 0.00 54.13 54.65 1g3y s LEU 120 Cb 0.16 -3.38 0.12 0.00 0.03 0.00 0.00 46.19 43.12 1g3y s LEU 120 CO 0.60 0.14 1.74 0.07 0.23 0.00 0.00 176.35 179.14 1g3y h LYS 121 N 4.62 1.08 -2.61 1.70 5.09 -1.89 -3.43 116.57 121.13 1g3y h LYS 121 Ca -0.46 -0.22 -0.15 0.00 0.09 0.00 0.00 60.65 59.92 1g3y h LYS 121 Cb 1.21 -0.16 -0.30 0.00 0.10 0.00 0.00 32.23 33.08 1g3y h LYS 121 CO 0.68 0.92 -0.44 0.34 -2.09 0.00 0.00 179.45 178.86 1g3y s ASP 122 N -6.31 0.01 -0.29 7.07 -1.08 -1.26 -5.02 116.67 109.79 1g3y s ASP 122 Ca -0.12 0.80 0.08 0.00 -0.52 0.00 0.00 52.55 52.79 1g3y s ASP 122 Cb 0.14 1.09 0.47 0.00 -1.46 0.00 0.00 42.92 43.16 1g3y s ASP 122 CO 0.83 -0.24 1.36 1.33 0.52 0.00 0.00 175.17 178.97 1g3y n VAL 123 N 5.37 2.51 -0.04 1.11 0.24 -1.26 -4.70 118.33 121.56 1g3y n VAL 123 Ca -0.07 -3.24 -0.14 0.00 -2.04 0.00 0.00 64.34 58.84 1g3y n VAL 123 Cb 0.50 -0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 32.27 1g3y n VAL 123 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1g3y h SER 124 N 1.31 0.43 -4.55 -1.34 0.02 -1.95 -3.41 113.55 104.05 1g3y h SER 124 Ca 0.21 -0.59 -0.31 0.00 -0.84 0.00 0.00 61.79 60.26 1g3y h SER 124 Cb 1.39 -0.12 -0.15 0.00 0.14 0.00 0.00 62.40 63.66 1g3y h SER 124 CO 0.42 0.94 -0.64 -0.13 -1.14 0.00 0.00 176.83 176.28 1g3y s ARG 125 N -3.88 1.25 0.75 3.45 0.52 -1.26 -1.88 118.95 117.90 1g3y s ARG 125 Ca -0.14 -1.64 -0.09 0.00 -0.52 0.00 0.00 55.73 53.34 1g3y s ARG 125 Cb 0.04 -0.24 0.07 0.00 0.52 0.00 0.00 34.95 35.35 1g3y s ARG 125 CO 0.77 -0.22 1.08 -1.54 0.02 0.00 0.00 175.30 175.42 1g3y s SER 126 N -3.24 4.65 0.27 0.23 1.04 1.00 -4.79 113.70 112.86 1g3y s SER 126 Ca 0.31 0.55 0.19 0.00 0.48 0.00 0.00 55.95 57.48 1g3y s SER 126 Cb 0.07 -1.12 1.00 0.00 0.10 0.00 0.00 66.02 66.06 1g3y s SER 126 CO 0.09 -1.75 1.58 -2.65 0.98 0.00 0.00 173.24 171.49 1g3y n PRO 127 N -3.09 0.12 -0.70 4.02 -0.02 -1.26 -1.00 135.00 133.08 1g3y n PRO 127 Ca 0.08 0.60 0.08 0.00 -2.02 0.00 0.00 63.50 62.24 1g3y n PRO 127 Cb 0.61 -1.89 0.36 0.00 -0.02 0.00 0.00 33.50 32.56 1g3y n PRO 127 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1g3y n PHE 128 N -2.15 1.66 -0.83 6.00 3.72 -1.26 -4.92 117.46 119.68 1g3y n PHE 128 Ca -0.01 -0.62 0.00 0.00 -0.05 0.00 0.00 57.45 56.77 1g3y n PHE 128 Cb 0.05 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 1g3y n PHE 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1g3y n GLY 129 N 0.90 0.81 3.69 1.37 0.00 -0.17 -4.99 105.19 106.80 1g3y n GLY 129 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1g3y n GLY 129 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1g3y s ASN 130 N -2.78 6.91 0.57 1.61 -0.87 -1.26 -4.76 114.94 114.37 1g3y s ASN 130 Ca 0.00 1.11 -0.20 0.00 -1.57 0.00 0.00 52.86 52.20 1g3y s ASN 130 Cb 0.00 -2.41 -0.04 0.00 -0.02 0.00 0.00 41.25 38.78 1g3y s ASN 130 CO 0.00 -0.25 1.31 -2.16 -2.57 0.00 0.00 177.10 173.44 1g3y s PRO 131 N 1.50 3.00 -0.43 -0.60 0.04 -1.26 -0.00 135.00 137.25 1g3y s PRO 131 Ca 0.36 2.12 -0.27 0.00 0.04 0.00 0.00 61.00 63.25 1g3y s PRO 131 Cb -0.17 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.28 1g3y s PRO 131 CO 0.15 -1.26 0.99 0.42 0.04 0.00 0.00 177.00 177.34 1g3y s ILE 132 N -1.37 4.44 0.63 0.56 1.01 -0.79 -4.77 121.20 120.91 1g3y s ILE 132 Ca 0.75 1.08 -0.07 0.00 0.00 0.00 0.00 60.65 62.41 1g3y s ILE 132 Cb -0.38 -4.45 0.02 0.00 0.01 0.00 0.00 42.46 37.66 1g3y s ILE 132 CO 0.43 -0.77 0.96 -2.16 0.00 0.00 0.00 174.94 173.40 1g3y s PRO 133 N 3.85 2.73 -0.95 2.79 0.04 -1.26 -4.50 135.00 137.70 1g3y s PRO 133 Ca 0.41 -0.00 0.00 0.00 0.04 0.00 0.00 61.00 61.45 1g3y s PRO 133 Cb -0.10 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1g3y s PRO 133 CO 0.25 -0.88 0.00 0.41 0.04 0.00 0.00 177.00 176.82 1g3y n GLY 134 N -2.73 1.04 0.28 0.56 0.00 -1.26 -4.35 105.19 98.73 1g3y n GLY 134 Ca 0.06 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 1g3y n GLY 134 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1g3y h LEU 135 N 0.00 0.91 -0.44 0.99 3.38 -1.98 0.92 115.31 119.09 1g3y h LEU 135 Ca -0.18 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 1g3y h LEU 135 Cb 0.71 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1g3y h LEU 135 CO 0.27 1.04 0.21 0.44 0.09 0.00 0.00 178.44 180.49 1g3y h ASP 136 N 0.81 0.57 0.31 -0.43 5.19 -1.95 -0.37 116.42 120.54 1g3y h ASP 136 Ca 0.13 -0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 1g3y h ASP 136 Cb 0.65 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.01 1g3y h ASP 136 CO 0.05 0.53 -0.36 -0.33 -3.12 0.00 0.00 179.24 176.01 1g3y h GLU 137 N 0.56 0.08 -0.07 3.56 3.07 -1.89 -2.43 114.58 117.47 1g3y h GLU 137 Ca 0.15 -0.03 -0.12 0.00 -0.50 0.00 0.00 59.36 58.86 1g3y h GLU 137 Cb 0.11 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1g3y h GLU 137 CO -0.02 0.43 -0.51 1.25 -1.40 0.00 0.00 179.01 178.77 1g3y h LEU 138 N 0.07 0.19 -1.44 1.33 5.85 -0.02 -3.48 115.31 117.81 1g3y h LEU 138 Ca 0.01 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1g3y h LEU 138 Cb 0.67 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1g3y h LEU 138 CO 0.05 0.67 0.00 0.61 -0.34 0.00 0.00 178.44 179.43 1g3y n GLY 139 N 0.02 0.61 1.35 3.75 0.00 -0.22 -4.99 105.19 105.71 1g3y n GLY 139 Ca -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 46.02 45.66 1g3y n GLY 139 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g3y n VAL 140 N -0.72 0.00 -3.70 1.61 0.24 -1.15 -4.97 118.33 109.63 1g3y n VAL 140 Ca 0.00 -0.75 -0.12 0.00 -2.04 0.00 0.00 64.34 61.43 1g3y n VAL 140 Cb 0.31 0.87 -0.12 0.00 -1.47 0.00 0.00 33.84 33.43 1g3y n VAL 140 CO 0.00 0.00 0.00 0.57 -2.14 0.00 0.00 176.83 175.26 1g3y s PRO 148 N 0.00 0.26 0.18 7.34 0.08 -1.26 -5.03 135.00 136.57 1g3y s PRO 148 Ca 0.25 0.69 0.00 0.00 0.08 0.00 0.00 61.00 62.02 1g3y s PRO 148 Cb 0.29 -0.04 0.00 0.00 0.08 0.00 0.00 34.50 34.83 1g3y s PRO 148 CO -0.13 -0.19 0.00 0.41 0.08 0.00 0.00 177.00 177.17 1g3y n GLY 149 N 4.52 -2.79 3.76 0.57 0.00 -1.26 -4.60 105.19 105.38 1g3y n GLY 149 Ca -0.20 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 1g3y n GLY 149 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g3y s THR 150 N -0.70 4.75 0.23 2.61 2.01 0.12 -4.79 115.64 119.87 1g3y s THR 150 Ca 0.00 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 1g3y s THR 150 Cb 0.00 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 1g3y s THR 150 CO 0.00 0.58 1.33 0.00 -0.69 0.00 0.00 174.62 175.84 1g3y s ARG 151 N -1.04 4.37 0.33 4.92 1.70 -1.26 -0.28 118.95 127.68 1g3y s ARG 151 Ca 0.15 2.12 0.11 0.00 -0.47 0.00 0.00 55.73 57.64 1g3y s ARG 151 Cb -0.12 -3.16 0.95 0.00 -0.57 0.00 0.00 34.95 32.06 1g3y s ARG 151 CO 0.04 -0.26 1.71 0.28 -1.08 0.00 0.00 175.30 175.99 1g3y h VAL 152 N 3.57 0.45 -0.47 4.99 2.07 -0.60 0.32 116.25 126.58 1g3y h VAL 152 Ca -0.46 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1g3y h VAL 152 Cb 1.22 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1g3y h VAL 152 CO 0.75 0.09 0.32 0.40 0.02 0.00 0.00 177.57 179.15 1g3y h ILE 153 N 0.49 0.96 0.08 4.57 5.03 -1.27 0.16 117.51 127.53 1g3y h ILE 153 Ca 0.68 -0.13 -0.35 0.00 -0.12 0.00 0.00 64.86 64.93 1g3y h ILE 153 Cb 1.38 0.55 -0.03 0.00 -3.03 0.00 0.00 36.82 35.68 1g3y h ILE 153 CO -0.52 0.07 -2.00 -0.90 -0.68 0.00 0.00 178.15 174.12 1g3y n ASP 154 N -4.47 1.70 0.18 1.72 3.85 0.91 -4.38 116.55 116.06 1g3y n ASP 154 Ca 0.06 0.21 0.07 0.00 -0.71 0.00 0.00 54.79 54.42 1g3y n ASP 154 Cb 0.26 -0.53 0.14 0.00 -1.35 0.00 0.00 41.12 39.63 1g3y n ASP 154 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1g3y h ALA 155 N 0.34 0.82 -2.63 2.12 0.00 -0.72 -3.49 119.26 115.70 1g3y h ALA 155 Ca -0.41 -0.27 -0.52 0.00 0.00 0.00 0.00 54.91 53.70 1g3y h ALA 155 Cb 2.03 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.74 1g3y h ALA 155 CO 0.07 0.38 0.17 0.00 0.00 0.00 0.00 179.25 179.86 1g3y s ALA 156 N -3.13 3.42 0.00 0.00 0.00 0.53 -5.05 121.76 117.53 1g3y s ALA 156 Ca 0.04 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1g3y s ALA 156 Cb 0.07 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1g3y s ALA 156 CO 0.70 0.30 0.00 0.00 0.00 0.00 0.00 175.76 176.76 1g3y n MET 159 N 1.21 0.00 -1.66 0.00 3.85 -1.26 -4.44 117.12 114.82 1g3y n MET 159 Ca -0.04 0.00 -0.33 0.00 -1.00 0.00 0.00 57.70 56.33 1g3y n MET 159 Cb 0.50 0.00 0.06 0.00 -1.05 0.00 0.00 33.22 32.73 1g3y n MET 159 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1g3y s PRO 160 N 0.00 2.59 -0.19 3.17 0.02 -1.25 -4.58 135.00 134.77 1g3y s PRO 160 Ca 0.00 1.51 -0.28 0.00 0.02 0.00 0.00 61.00 62.25 1g3y s PRO 160 Cb 0.00 -1.91 0.11 0.00 0.02 0.00 0.00 34.50 32.71 1g3y s PRO 160 CO 0.00 -1.43 0.92 0.50 -0.33 0.00 0.00 177.00 176.65 1g3y s ARG 161 N -4.02 0.68 -0.77 5.54 3.52 -1.15 -4.95 118.95 117.82 1g3y s ARG 161 Ca 0.69 0.39 -0.10 0.00 -0.13 0.00 0.00 55.73 56.59 1g3y s ARG 161 Cb -0.23 0.33 0.20 0.00 -1.56 0.00 0.00 34.95 33.69 1g3y s ARG 161 CO 0.42 -0.17 0.66 0.21 -0.81 0.00 0.00 175.30 175.62 1g3y s LYS 162 N -0.57 3.26 0.00 5.12 2.20 -1.25 -1.68 119.74 126.81 1g3y s LYS 162 Ca -0.02 -2.52 0.00 0.00 -0.36 0.00 0.00 55.97 53.07 1g3y s LYS 162 Cb -0.02 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.11 1g3y s LYS 162 CO 0.01 -1.25 0.00 1.33 -0.36 0.00 0.00 175.35 175.08 1g3y n VAL 163 N 3.74 0.00 -4.15 4.02 0.24 -0.49 -4.72 118.33 116.97 1g3y n VAL 163 Ca 0.12 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.23 1g3y n VAL 163 Cb 0.44 -1.44 -0.16 0.00 -1.47 0.00 0.00 33.84 31.20 1g3y n VAL 163 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g3y s ARG 164 N -0.54 0.77 -0.06 7.34 1.70 -0.93 -1.48 118.95 125.75 1g3y s ARG 164 Ca 0.00 -0.09 -0.29 0.00 -0.47 0.00 0.00 55.73 54.87 1g3y s ARG 164 Cb 0.00 -0.78 -0.07 0.00 -0.57 0.00 0.00 34.95 33.52 1g3y s ARG 164 CO 0.00 -0.07 2.06 0.42 -1.08 0.00 0.00 175.30 176.63 1g3y s ILE 165 N 0.87 3.01 -0.10 4.99 -1.09 -1.04 -0.72 121.20 127.12 1g3y s ILE 165 Ca -0.11 0.02 -0.07 0.00 -2.23 0.00 0.00 60.65 58.25 1g3y s ILE 165 Cb -0.14 -3.01 -0.27 0.00 -1.58 0.00 0.00 42.46 37.46 1g3y s ILE 165 CO 0.00 -0.00 0.43 0.58 -1.23 0.00 0.00 174.94 174.72 1g3y h VAL 166 N 6.21 0.69 -1.91 2.92 2.07 -0.66 0.17 116.25 125.73 1g3y h VAL 166 Ca -0.46 -2.38 -0.03 0.00 0.82 0.00 0.00 66.70 64.65 1g3y h VAL 166 Cb 1.24 2.56 -0.21 0.00 -1.52 0.00 0.00 31.29 33.36 1g3y h VAL 166 CO 0.95 0.89 0.24 0.00 0.02 0.00 0.00 177.57 179.66 1g3y s GLN 167 N -2.56 0.88 -0.22 1.57 -2.07 0.36 -4.85 119.66 112.77 1g3y s GLN 167 Ca -0.21 0.54 0.03 0.00 -1.82 0.00 0.00 55.36 53.90 1g3y s GLN 167 Cb 0.06 0.42 -0.20 0.00 -1.09 0.00 0.00 33.01 32.20 1g3y s GLN 167 CO 0.79 -0.21 -0.04 -0.89 -1.32 0.00 0.00 175.29 173.62 1g3y n ILE 168 N 1.64 1.54 -3.46 3.63 2.08 -1.26 -0.43 119.36 123.09 1g3y n ILE 168 Ca -0.16 -0.64 -0.20 0.00 0.56 0.00 0.00 62.75 62.32 1g3y n ILE 168 Cb 0.56 -1.33 0.08 0.00 -0.75 0.00 0.00 39.64 38.20 1g3y n ILE 168 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1g3y n ASN 169 N -3.22 -4.51 0.29 4.38 3.02 -1.26 -3.94 115.26 110.01 1g3y n ASN 169 Ca -0.40 -0.54 0.14 0.00 -0.03 0.00 0.00 54.58 53.74 1g3y n ASN 169 Cb 1.03 -4.82 0.86 0.00 -0.61 0.00 0.00 39.78 36.23 1g3y n ASN 169 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1g3y h GLU 170 N -2.26 0.00 0.00 3.52 3.07 -1.95 -2.02 114.58 114.94 1g3y h GLU 170 Ca -0.55 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.30 1g3y h GLU 170 Cb 1.34 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1g3y h GLU 170 CO 0.51 0.01 -0.05 0.97 -1.40 0.00 0.00 179.01 179.05 1g3y h ILE 171 N 0.00 0.67 -0.36 3.13 2.10 -2.02 -0.92 117.51 120.11 1g3y h ILE 171 Ca -0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.73 1g3y h ILE 171 Cb 0.03 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 1g3y h ILE 171 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 1g3y n PHE 172 N -3.94 0.47 -2.90 2.19 3.72 -0.76 -4.93 117.46 111.32 1g3y n PHE 172 Ca -0.03 -0.24 -0.40 0.00 -0.05 0.00 0.00 57.45 56.74 1g3y n PHE 172 Cb 0.14 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1g3y n PHE 172 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1g3y s GLN 173 N -1.53 4.67 -0.21 -1.08 -1.52 -0.35 -4.94 119.66 114.70 1g3y s GLN 173 Ca 0.34 1.27 0.03 0.00 -1.95 0.00 0.00 55.36 55.06 1g3y s GLN 173 Cb 0.18 -3.28 -0.15 0.00 -0.22 0.00 0.00 33.01 29.55 1g3y s GLN 173 CO 0.26 0.53 -0.16 0.28 -0.25 0.00 0.00 175.29 175.95 1g3y n VAL 174 N 1.64 1.21 -3.12 1.09 0.31 -1.26 -4.88 118.33 113.32 1g3y n VAL 174 Ca -0.04 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.38 1g3y n VAL 174 Cb 0.48 -1.16 -0.07 0.00 -0.91 0.00 0.00 33.84 32.18 1g3y n VAL 174 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1g3y s GLU 175 N -2.42 3.88 -0.03 5.55 0.41 -1.26 -4.94 118.70 119.89 1g3y s GLU 175 Ca -0.26 0.27 0.13 0.00 -0.41 0.00 0.00 54.97 54.70 1g3y s GLU 175 Cb 0.07 -3.73 0.40 0.00 -1.78 0.00 0.00 34.13 29.08 1g3y s GLU 175 CO 0.52 -0.58 1.33 0.25 -0.49 0.00 0.00 175.26 176.29 1g3y n THR 176 N 5.40 1.23 -0.19 3.63 -2.24 -1.26 -4.67 114.28 116.17 1g3y n THR 176 Ca -0.01 -1.13 -0.03 0.00 -2.27 0.00 0.00 64.05 60.61 1g3y n THR 176 Cb 0.49 0.38 0.17 0.00 -2.10 0.00 0.00 70.33 69.26 1g3y n THR 176 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1g3y h ASP 177 N 2.35 0.88 -0.06 3.42 3.32 -2.02 -3.04 116.42 121.26 1g3y h ASP 177 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1g3y h ASP 177 Cb 0.90 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1g3y h ASP 177 CO 0.04 0.79 0.00 0.00 -1.72 0.00 0.00 179.24 178.35 1g3y n GLN 178 N -4.30 1.71 0.01 3.56 6.02 -1.26 -4.23 117.38 118.88 1g3y n GLN 178 Ca 0.06 -1.04 -0.10 0.00 -0.01 0.00 0.00 57.00 55.91 1g3y n GLN 178 Cb 0.18 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 1g3y n GLN 178 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 1g3y h PHE 179 N 2.40 -0.22 -0.06 1.08 -1.00 -1.86 0.23 116.94 117.52 1g3y h PHE 179 Ca 0.00 0.01 -0.16 0.00 2.81 0.00 0.00 57.97 60.64 1g3y h PHE 179 Cb 0.51 0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.17 1g3y h PHE 179 CO 0.03 -0.14 -0.66 1.79 -1.61 0.00 0.00 178.31 177.72 1g3y h THR 180 N -0.11 1.41 -0.47 -1.55 1.35 -1.80 -0.28 112.91 111.46 1g3y h THR 180 Ca 0.07 -2.12 0.01 0.00 -0.55 0.00 0.00 66.41 63.83 1g3y h THR 180 Cb 0.21 2.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 1g3y h THR 180 CO -0.16 0.62 0.31 -0.61 -0.25 0.00 0.00 175.52 175.43 1g3y h GLN 181 N 0.17 0.58 0.00 4.72 4.15 -1.56 0.36 115.11 123.53 1g3y h GLN 181 Ca -0.01 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1g3y h GLN 181 Cb 1.20 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.76 1g3y h GLN 181 CO 0.10 0.39 -0.00 -0.07 -1.93 0.00 0.00 178.83 177.32 1g3y h LEU 182 N 0.60 -0.00 -2.04 -2.39 3.38 -0.20 -3.16 115.31 111.50 1g3y h LEU 182 Ca 0.18 -0.76 0.07 0.00 0.09 0.00 0.00 57.88 57.46 1g3y h LEU 182 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1g3y h LEU 182 CO -0.04 0.77 0.19 -0.07 0.09 0.00 0.00 178.44 179.37 1g3y h LEU 183 N -0.77 0.00 0.55 1.67 3.38 -0.27 -1.22 115.31 118.65 1g3y h LEU 183 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1g3y h LEU 183 Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1g3y h LEU 183 CO 0.00 0.00 -0.27 0.44 0.09 0.00 0.00 178.44 178.70 1g3y h ASP 184 N 0.00 -0.63 0.00 -0.43 3.32 -0.38 -2.98 116.42 115.33 1g3y h ASP 184 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1g3y h ASP 184 Cb 0.50 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1g3y h ASP 184 CO -0.00 -0.23 0.00 0.00 -1.72 0.00 0.00 179.24 177.29 1g3y n ALA 185 N -2.67 1.04 -2.62 3.45 0.00 -1.00 -4.84 120.51 113.87 1g3y n ALA 185 Ca -0.10 0.18 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1g3y n ALA 185 Cb 0.31 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 18.52 1g3y n ALA 185 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1g3y n ASP 186 N -2.19 -3.68 -4.25 0.00 8.00 -0.53 -4.21 116.55 109.69 1g3y n ASP 186 Ca -0.01 -0.39 -0.35 0.00 0.71 0.00 0.00 54.79 54.75 1g3y n ASP 186 Cb 0.03 -3.18 -0.14 0.00 -0.02 0.00 0.00 41.12 37.81 1g3y n ASP 186 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1g3y s ILE 187 N -3.22 3.18 0.00 0.53 1.01 -0.82 -4.91 121.20 116.97 1g3y s ILE 187 Ca 0.16 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1g3y s ILE 187 Cb -0.02 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.89 1g3y s ILE 187 CO 0.42 0.26 0.00 0.54 0.00 0.00 0.00 174.94 176.16 1g3y n ARG 188 N 4.74 0.00 -1.97 2.79 1.74 -1.26 -4.53 116.66 118.17 1g3y n ARG 188 Ca -0.17 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 1g3y n ARG 188 Cb 0.48 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.90 1g3y n ARG 188 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1g3y s VAL 189 N -2.24 3.40 0.00 1.55 1.01 -1.26 -1.83 120.40 121.02 1g3y s VAL 189 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1g3y s VAL 189 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1g3y s VAL 189 CO 0.00 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1g3y n GLY 190 N 4.09 0.73 3.60 4.51 0.00 0.59 -4.97 105.19 113.75 1g3y n GLY 190 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 1g3y n GLY 190 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1g3y s SER 191 N -2.70 6.59 0.17 1.61 0.01 -0.76 -4.70 113.70 113.92 1g3y s SER 191 Ca 0.00 0.54 -0.31 0.00 1.31 0.00 0.00 55.95 57.48 1g3y s SER 191 Cb 0.00 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 1g3y s SER 191 CO 0.00 -1.28 1.54 -1.61 0.41 0.00 0.00 173.24 172.30 1g3y s GLU 192 N 4.53 4.23 0.06 12.44 8.01 -1.26 -2.51 118.70 144.20 1g3y s GLU 192 Ca 0.50 2.33 -0.05 0.00 0.01 0.00 0.00 54.97 57.76 1g3y s GLU 192 Cb -0.08 -3.16 -0.02 0.00 -4.31 0.00 0.00 34.13 26.56 1g3y s GLU 192 CO 0.32 -0.57 0.08 0.14 0.01 0.00 0.00 175.26 175.23 1g3y s VAL 193 N 1.02 0.17 -0.28 2.63 -7.23 -0.55 -4.86 120.40 111.30 1g3y s VAL 193 Ca 0.68 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 59.38 1g3y s VAL 193 Cb -0.43 -1.30 0.02 0.00 0.56 0.00 0.00 36.38 35.22 1g3y s VAL 193 CO 0.32 -0.78 0.04 -1.61 -0.31 0.00 0.00 175.10 172.76 1g3y s GLU 194 N -3.58 3.00 0.41 4.82 2.02 -0.30 -1.39 118.70 123.67 1g3y s GLU 194 Ca 0.03 -0.91 0.05 0.00 0.02 0.00 0.00 54.97 54.17 1g3y s GLU 194 Cb 0.05 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 31.02 1g3y s GLU 194 CO -0.09 -0.44 0.58 0.96 0.02 0.00 0.00 175.26 176.29 1g3y s ILE 195 N 1.44 3.50 -0.30 -1.63 -4.36 -0.68 -0.46 121.20 118.71 1g3y s ILE 195 Ca 0.02 -0.87 -0.18 0.00 -0.26 0.00 0.00 60.65 59.36 1g3y s ILE 195 Cb -0.17 -3.22 0.18 0.00 1.25 0.00 0.00 42.46 40.50 1g3y s ILE 195 CO 0.00 -0.11 1.18 0.54 0.24 0.00 0.00 174.94 176.79 1g3y s VAL 196 N -2.38 -0.21 -0.32 8.37 0.11 -1.15 -2.91 120.40 121.91 1g3y s VAL 196 Ca 0.51 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.28 1g3y s VAL 196 Cb -0.10 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1g3y s VAL 196 CO 0.34 0.00 0.99 -0.62 -3.33 0.00 0.00 175.10 172.48 1g3y s ASP 197 N 2.12 6.83 0.00 3.54 2.15 -1.26 -2.33 116.67 127.72 1g3y s ASP 197 Ca -0.01 0.89 0.00 0.00 0.43 0.00 0.00 52.55 53.86 1g3y s ASP 197 Cb -0.03 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1g3y s ASP 197 CO -0.16 -0.82 0.00 0.54 -0.17 0.00 0.00 175.17 174.56 1g3y n ARG 198 N 6.71 0.00 0.00 4.34 3.00 -1.26 -4.77 116.66 124.68 1g3y n ARG 198 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.93 1g3y n ARG 198 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 32.46 32.84 1g3y n ARG 198 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1g3y n HIS 201 N -2.20 0.00 -1.76 -1.55 -0.00 -1.26 -4.96 115.22 103.49 1g3y n HIS 201 Ca 0.00 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.76 1g3y n HIS 201 Cb 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 29.84 1g3y n HIS 201 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1g3y s ILE 202 N 0.59 2.21 -0.12 3.57 1.01 -1.26 -4.86 121.20 122.35 1g3y s ILE 202 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.74 1g3y s ILE 202 Cb 0.00 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.43 1g3y s ILE 202 CO 0.00 0.01 -0.09 -0.89 0.00 0.00 0.00 174.94 173.97 1g3y s THR 203 N 1.44 1.12 -0.36 2.92 2.01 -0.98 -0.05 115.64 121.74 1g3y s THR 203 Ca 0.75 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 62.34 1g3y s THR 203 Cb -0.48 -1.12 0.06 0.00 0.01 0.00 0.00 72.50 70.97 1g3y s THR 203 CO 0.33 0.38 0.14 -1.48 -0.69 0.00 0.00 174.62 173.30 1g3y s LEU 204 N 1.64 4.60 0.35 4.42 0.05 -0.07 -2.92 118.68 126.75 1g3y s LEU 204 Ca 0.04 -1.39 -0.13 0.00 0.05 0.00 0.00 54.13 52.70 1g3y s LEU 204 Cb -0.13 -1.87 -0.08 0.00 -2.05 0.00 0.00 46.19 42.07 1g3y s LEU 204 CO -0.08 -0.40 0.75 -0.44 -0.55 0.00 0.00 176.35 175.62 1g3y s SER 205 N 1.62 6.67 -0.24 1.48 0.01 0.39 -2.77 113.70 120.86 1g3y s SER 205 Ca 0.00 1.22 -0.29 0.00 1.31 0.00 0.00 55.95 58.19 1g3y s SER 205 Cb -0.21 -2.35 0.17 0.00 0.21 0.00 0.00 66.02 63.84 1g3y s SER 205 CO 0.01 -0.28 1.23 -2.28 0.41 0.00 0.00 173.24 172.32 1g3y s HIS 206 N -2.14 -0.16 -1.42 2.43 5.04 0.64 -1.15 115.29 118.53 1g3y s HIS 206 Ca 0.53 0.29 0.00 0.00 -1.54 0.00 0.00 55.06 54.34 1g3y s HIS 206 Cb -0.10 0.48 0.00 0.00 0.04 0.00 0.00 32.58 32.99 1g3y s HIS 206 CO 0.23 -0.15 0.00 0.09 -2.34 0.00 0.00 174.74 172.57 1g3y n ASN 207 N 0.65 -4.45 0.00 9.88 4.13 -1.26 0.92 115.26 125.13 1g3y n ASN 207 Ca -0.04 0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1g3y n ASN 207 Cb 0.58 -3.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.99 1g3y n ASN 207 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g3y n GLY 208 N -0.70 2.99 3.78 7.41 0.00 -1.26 -4.98 105.19 112.43 1g3y n GLY 208 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1g3y n GLY 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3y s LYS 209 N -0.01 4.14 -0.29 1.61 3.01 0.26 -5.05 119.74 123.40 1g3y s LYS 209 Ca 0.00 1.55 0.03 0.00 -1.01 0.00 0.00 55.97 56.54 1g3y s LYS 209 Cb 0.00 -2.55 0.07 0.00 -1.01 0.00 0.00 37.83 34.35 1g3y s LYS 209 CO 0.00 -0.17 -0.04 -0.51 0.51 0.00 0.00 175.35 175.13 1g3y s ASP 210 N -1.52 4.60 -0.49 2.83 1.11 -1.26 -0.26 116.67 121.68 1g3y s ASP 210 Ca 0.58 -1.64 -0.12 0.00 0.18 0.00 0.00 52.55 51.55 1g3y s ASP 210 Cb -0.23 -1.59 0.11 0.00 1.07 0.00 0.00 42.92 42.28 1g3y s ASP 210 CO 0.29 -0.26 0.39 -0.69 1.18 0.00 0.00 175.17 176.08 1g3y s VAL 211 N 1.05 4.67 -0.37 -1.27 1.01 -1.11 -4.95 120.40 119.43 1g3y s VAL 211 Ca -0.02 -1.55 -0.28 0.00 0.00 0.00 0.00 61.98 60.12 1g3y s VAL 211 Cb -0.20 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.22 1g3y s VAL 211 CO -0.06 -0.75 1.06 -0.70 0.00 0.00 0.00 175.10 174.66 1g3y s GLU 212 N 1.48 3.94 0.78 2.72 2.12 -1.26 -0.90 118.70 127.58 1g3y s GLU 212 Ca 0.04 0.85 -0.12 0.00 0.36 0.00 0.00 54.97 56.10 1g3y s GLU 212 Cb -0.27 -3.79 0.06 0.00 0.26 0.00 0.00 34.13 30.39 1g3y s GLU 212 CO 0.02 -1.03 1.13 -0.51 -0.54 0.00 0.00 175.26 174.33 1g3y s LEU 213 N 3.81 2.61 0.33 2.70 1.43 0.93 -4.96 118.68 125.54 1g3y s LEU 213 Ca 0.45 1.02 0.09 0.00 -1.03 0.00 0.00 54.13 54.65 1g3y s LEU 213 Cb -0.11 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.44 1g3y s LEU 213 CO 0.20 -1.77 0.08 -0.76 0.23 0.00 0.00 176.35 174.33 1g3y s LEU 214 N -5.58 3.16 0.19 1.79 1.43 -1.26 -4.55 118.68 113.86 1g3y s LEU 214 Ca 0.61 -0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 1g3y s LEU 214 Cb -0.12 -1.60 0.11 0.00 0.03 0.00 0.00 46.19 44.61 1g3y s LEU 214 CO 0.51 -0.25 1.57 0.44 0.23 0.00 0.00 176.35 178.86 1g3y h ASP 215 N 1.67 -1.36 -0.33 2.29 3.32 -1.99 0.13 116.42 120.16 1g3y h ASP 215 Ca -0.43 0.25 0.06 0.00 0.02 0.00 0.00 57.03 56.93 1g3y h ASP 215 Cb 1.25 0.66 -0.06 0.00 0.22 0.00 0.00 39.33 41.40 1g3y h ASP 215 CO 0.64 -0.31 -0.05 0.44 -1.72 0.00 0.00 179.24 178.24 1g3y h ASP 216 N -0.15 -0.24 0.62 6.45 5.19 -1.99 -0.45 116.42 125.85 1g3y h ASP 216 Ca 0.23 0.09 -0.13 0.00 -0.62 0.00 0.00 57.03 56.60 1g3y h ASP 216 Cb 0.56 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.23 1g3y h ASP 216 CO -0.75 -0.08 -0.62 -0.07 -3.12 0.00 0.00 179.24 174.60 1g3y h LEU 217 N 0.03 0.00 -1.39 1.55 3.38 -1.87 -2.65 115.31 114.36 1g3y h LEU 217 Ca 0.16 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1g3y h LEU 217 Cb 0.23 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1g3y h LEU 217 CO -0.31 0.62 -0.01 0.00 0.09 0.00 0.00 178.44 178.84 1g3y h ALA 218 N 1.38 1.51 0.00 1.53 0.00 0.18 0.13 119.26 123.99 1g3y h ALA 218 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1g3y h ALA 218 Cb 1.10 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1g3y h ALA 218 CO 0.08 0.36 -0.63 0.45 0.00 0.00 0.00 179.25 179.51 1g3y h HIS 219 N 0.38 0.00 0.00 0.00 3.86 -0.92 -0.00 115.15 118.46 1g3y h HIS 219 Ca 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.23 1g3y h HIS 219 Cb 0.27 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1g3y h HIS 219 CO 0.01 0.00 -1.73 0.25 0.86 0.00 0.00 177.93 177.32 1g3y n THR 220 N -2.29 0.25 -2.55 2.45 -2.24 -0.92 -4.84 114.28 104.14 1g3y n THR 220 Ca 0.03 -0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 60.98 1g3y n THR 220 Cb 0.47 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.62 1g3y n THR 220 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1g3y s ILE 221 N -2.82 4.29 -0.22 2.28 1.01 -0.01 -4.45 121.20 121.27 1g3y s ILE 221 Ca -0.06 1.43 -0.08 0.00 0.00 0.00 0.00 60.65 61.95 1g3y s ILE 221 Cb 0.08 -4.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1g3y s ILE 221 CO 0.59 -0.63 0.08 -0.13 0.00 0.00 0.00 174.94 174.85 1g3y s ARG 222 N 4.08 3.81 0.29 2.79 0.52 0.43 -0.25 118.95 130.62 1g3y s ARG 222 Ca 0.50 -0.41 0.10 0.00 -0.52 0.00 0.00 55.73 55.40 1g3y s ARG 222 Cb -0.12 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.00 1g3y s ARG 222 CO 0.23 0.01 -0.05 0.96 0.02 0.00 0.00 175.30 176.48 1g3y s ILE 223 N 1.09 3.00 0.37 1.52 -0.00 0.61 0.09 121.20 127.87 1g3y s ILE 223 Ca 0.04 -2.05 0.08 0.00 -0.00 0.00 0.00 60.65 58.73 1g3y s ILE 223 Cb -0.14 -2.70 -0.04 0.00 -0.00 0.00 0.00 42.46 39.58 1g3y s ILE 223 CO 0.03 -0.33 0.17 -1.83 -0.00 0.00 0.00 174.94 172.98 1g3y s GLU 224 N -3.65 2.34 0.00 0.37 1.03 0.11 -0.70 118.70 118.20 1g3y s GLU 224 Ca 0.32 -1.63 0.30 0.00 0.03 0.00 0.00 54.97 53.99 1g3y s GLU 224 Cb -0.04 -2.13 1.42 0.00 -0.80 0.00 0.00 34.13 32.57 1g3y s GLU 224 CO 0.19 0.02 1.95 0.39 -1.33 0.00 0.00 175.26 176.48