#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d1d s THR 12 N 0.00 0.82 0.32 5.87 2.01 -1.26 -5.12 115.64 118.27 1d1d s THR 12 Ca 0.00 -1.04 -0.28 0.00 0.31 0.00 0.00 61.69 60.68 1d1d s THR 12 Cb 0.00 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.99 1d1d s THR 12 CO 0.00 -0.42 1.07 -2.16 -0.69 0.00 0.00 174.62 172.42 1d1d s PRO 13 N 1.69 4.49 -0.65 4.92 0.04 -1.26 -4.99 135.00 139.24 1d1d s PRO 13 Ca 0.03 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.55 1d1d s PRO 13 Cb -0.17 -2.98 0.09 0.00 0.04 0.00 0.00 34.50 31.48 1d1d s PRO 13 CO -0.16 0.11 0.87 -1.17 0.04 0.00 0.00 177.00 176.69 1d1d s LEU 14 N -1.83 4.84 -0.11 -3.56 0.20 -1.26 -5.02 118.68 111.94 1d1d s LEU 14 Ca 0.49 -1.24 -0.21 0.00 0.69 0.00 0.00 54.13 53.86 1d1d s LEU 14 Cb -0.28 -2.37 -0.04 0.00 -0.43 0.00 0.00 46.19 43.07 1d1d s LEU 14 CO 0.36 -1.29 0.62 -0.70 -0.29 0.00 0.00 176.35 175.05 1d1d s GLU 15 N 3.42 4.37 0.16 1.98 2.56 -1.26 -4.96 118.70 124.97 1d1d s GLU 15 Ca 0.18 0.70 -0.01 0.00 0.00 0.00 0.00 54.97 55.85 1d1d s GLU 15 Cb -0.19 -3.47 -0.01 0.00 2.00 0.00 0.00 34.13 32.47 1d1d s GLU 15 CO 0.07 0.04 1.38 -1.00 -0.56 0.00 0.00 175.26 175.19 1d1d h PRO 16 N 6.88 0.33 -0.31 4.30 0.13 -1.97 -0.29 132.00 141.06 1d1d h PRO 16 Ca -0.39 -0.32 -0.08 0.00 -0.87 0.00 0.00 66.00 64.33 1d1d h PRO 16 Cb 1.18 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1d1d h PRO 16 CO 0.76 1.00 -0.12 1.57 -0.23 0.00 0.00 178.00 180.97 1d1d h LYS 17 N 0.20 0.63 -0.39 0.86 2.10 -1.99 -0.35 116.57 117.63 1d1d h LYS 17 Ca -0.05 -0.26 -0.12 0.00 -2.00 0.00 0.00 60.65 58.21 1d1d h LYS 17 Cb 1.45 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.75 1d1d h LYS 17 CO 0.14 0.84 -0.23 -0.07 -2.00 0.00 0.00 179.45 178.13 1d1d h LEU 18 N 0.39 0.88 -1.26 7.07 3.38 -1.97 -2.01 115.31 121.79 1d1d h LEU 18 Ca 0.07 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1d1d h LEU 18 Cb 0.64 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1d1d h LEU 18 CO 0.04 1.11 0.50 0.40 0.09 0.00 0.00 178.44 180.58 1d1d h ILE 19 N 0.66 1.19 -0.54 1.22 2.04 -0.94 -0.16 117.51 120.98 1d1d h ILE 19 Ca 0.08 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.49 1d1d h ILE 19 Cb 0.80 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 1d1d h ILE 19 CO 0.07 0.19 -0.06 0.74 0.00 0.00 0.00 178.15 179.08 1d1d h THR 20 N 1.02 1.26 -0.11 -0.27 2.02 -0.77 0.40 112.91 116.46 1d1d h THR 20 Ca 0.28 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 1d1d h THR 20 Cb -0.10 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1d1d h THR 20 CO -0.06 0.42 0.03 0.03 0.37 0.00 0.00 175.52 176.30 1d1d h ARG 21 N 0.88 0.18 -0.49 6.66 3.08 -0.52 0.12 114.38 124.28 1d1d h ARG 21 Ca 0.15 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1d1d h ARG 21 Cb 0.60 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1d1d h ARG 21 CO 0.04 0.35 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.20 1d1d h LEU 22 N -0.03 0.87 -1.34 3.04 3.38 -0.97 -2.27 115.31 117.99 1d1d h LEU 22 Ca 0.03 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1d1d h LEU 22 Cb 0.26 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1d1d h LEU 22 CO 0.00 0.98 0.45 0.00 0.09 0.00 0.00 178.44 179.96 1d1d h ALA 23 N 0.92 1.53 -0.64 1.53 0.00 -0.05 -1.13 119.26 121.41 1d1d h ALA 23 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1d1d h ALA 23 Cb 0.55 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1d1d h ALA 23 CO 0.03 0.44 0.28 0.22 0.00 0.00 0.00 179.25 180.22 1d1d h ASP 24 N 0.91 0.87 -0.77 0.00 3.58 -0.30 -2.07 116.42 118.64 1d1d h ASP 24 Ca 0.25 -0.16 0.02 0.00 0.42 0.00 0.00 57.03 57.57 1d1d h ASP 24 Cb -0.09 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.69 1d1d h ASP 24 CO -0.06 0.79 0.51 0.74 -2.88 0.00 0.00 179.24 178.34 1d1d h THR 25 N 0.90 1.15 -0.55 2.25 2.02 -0.68 -0.66 112.91 117.34 1d1d h THR 25 Ca 0.22 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 1d1d h THR 25 Cb 0.17 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 1d1d h THR 25 CO -0.02 0.18 0.30 0.58 0.37 0.00 0.00 175.52 176.92 1d1d h VAL 26 N 0.99 1.19 -0.15 3.16 2.07 -0.71 1.58 116.25 124.37 1d1d h VAL 26 Ca 0.30 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1d1d h VAL 26 Cb -0.03 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1d1d h VAL 26 CO -0.08 0.21 0.08 -0.09 0.02 0.00 0.00 177.57 177.71 1d1d h ARG 27 N 0.75 0.21 -0.02 1.57 1.12 -0.77 1.24 114.38 118.47 1d1d h ARG 27 Ca 0.19 -0.03 -0.12 0.00 -1.11 0.00 0.00 59.98 58.91 1d1d h ARG 27 Cb 0.06 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 29.97 1d1d h ARG 27 CO -0.03 0.25 -0.55 1.79 -3.11 0.00 0.00 179.97 178.31 1d1d h THR 28 N 0.13 1.39 0.00 0.20 1.35 -0.87 -2.39 112.91 112.72 1d1d h THR 28 Ca 0.05 -1.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1d1d h THR 28 Cb 0.10 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1d1d h THR 28 CO -0.01 0.55 -0.19 0.29 -0.25 0.00 0.00 175.52 175.91 1d1d n LYS 29 N -3.89 0.26 -0.08 4.72 4.76 0.54 -5.01 118.16 119.46 1d1d n LYS 29 Ca -0.02 0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1d1d n LYS 29 Cb 0.57 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 1d1d n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1d1d n GLY 30 N 1.32 0.38 0.21 0.72 0.00 0.42 -4.46 105.19 103.78 1d1d n GLY 30 Ca 0.05 -1.16 0.06 0.00 0.00 0.00 0.00 46.02 44.97 1d1d n GLY 30 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d1d h LEU 31 N 0.00 0.00 -1.48 0.99 5.85 -1.73 -1.34 115.31 117.60 1d1d h LEU 31 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1d1d h LEU 31 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1d1d h LEU 31 CO 0.00 0.31 0.00 -1.14 -0.34 0.00 0.00 178.44 177.27 1d1d n ARG 32 N -3.88 2.00 -2.96 1.25 0.63 -1.26 -4.71 116.66 107.73 1d1d n ARG 32 Ca -0.02 -1.48 -0.28 0.00 -0.92 0.00 0.00 57.85 55.15 1d1d n ARG 32 Cb 0.38 -1.46 -0.02 0.00 0.45 0.00 0.00 32.46 31.81 1d1d n ARG 32 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1d1d s SER 33 N -1.81 6.41 0.00 6.15 0.01 -0.50 -4.94 113.70 119.01 1d1d s SER 33 Ca 0.34 0.91 -0.04 0.00 1.31 0.00 0.00 55.95 58.47 1d1d s SER 33 Cb 0.20 -2.23 -0.19 0.00 0.21 0.00 0.00 66.02 64.01 1d1d s SER 33 CO 0.31 -0.39 2.77 -0.81 0.41 0.00 0.00 173.24 175.52 1d1d n PRO 34 N -1.53 1.46 0.00 12.44 -0.04 -1.26 -2.80 135.00 143.27 1d1d n PRO 34 Ca 0.00 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.76 1d1d n PRO 34 Cb 0.54 -1.83 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1d1d n PRO 34 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1d1d n ILE 35 N 2.57 0.00 -0.28 0.52 2.08 -1.26 -4.67 119.36 118.31 1d1d n ILE 35 Ca 0.30 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.61 1d1d n ILE 35 Cb 0.67 -0.33 0.12 0.00 -0.75 0.00 0.00 39.64 39.35 1d1d n ILE 35 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1d1d h THR 36 N 0.00 1.04 -0.61 1.39 2.02 -1.69 0.57 112.91 115.63 1d1d h THR 36 Ca 0.00 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.81 1d1d h THR 36 Cb 0.43 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1d1d h THR 36 CO 0.00 0.16 0.11 0.24 0.37 0.00 0.00 175.52 176.41 1d1d h MET 37 N 0.88 1.00 0.20 6.66 2.86 -1.87 0.69 114.93 125.35 1d1d h MET 37 Ca 0.34 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1d1d h MET 37 Cb 0.14 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1d1d h MET 37 CO -0.16 0.93 -0.09 0.00 1.06 0.00 0.00 176.91 178.65 1d1d h ALA 38 N 1.03 -0.26 -0.28 6.32 0.00 -1.61 0.31 119.26 124.76 1d1d h ALA 38 Ca 0.19 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1d1d h ALA 38 Cb 0.40 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1d1d h ALA 38 CO 0.01 -0.46 0.18 0.93 0.00 0.00 0.00 179.25 179.91 1d1d h GLU 39 N -0.64 0.36 -0.15 0.00 3.07 0.16 0.24 114.58 117.62 1d1d h GLU 39 Ca -0.03 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1d1d h GLU 39 Cb 0.46 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1d1d h GLU 39 CO 0.04 0.24 0.10 0.28 -1.40 0.00 0.00 179.01 178.27 1d1d h VAL 40 N 0.37 1.04 0.00 3.13 2.07 0.39 -0.86 116.25 122.40 1d1d h VAL 40 Ca 0.11 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1d1d h VAL 40 Cb -0.03 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1d1d h VAL 40 CO -0.03 0.04 -0.05 -0.33 0.02 0.00 0.00 177.57 177.22 1d1d h GLU 41 N 0.20 0.00 0.45 1.57 5.08 -0.01 0.63 114.58 122.49 1d1d h GLU 41 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1d1d h GLU 41 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1d1d h GLU 41 CO -0.01 0.05 -0.22 0.00 -1.00 0.00 0.00 179.01 177.83 1d1d h ALA 42 N 1.95 -0.60 -0.17 3.43 0.00 0.91 1.58 119.26 126.35 1d1d h ALA 42 Ca -0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1d1d h ALA 42 Cb 0.16 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1d1d h ALA 42 CO 0.01 -0.73 -0.62 1.37 0.00 0.00 0.00 179.25 179.28 1d1d h LEU 43 N -0.83 0.84 -0.09 0.00 8.10 -1.02 -2.86 115.31 119.45 1d1d h LEU 43 Ca -0.06 -0.60 0.00 0.00 0.11 0.00 0.00 57.88 57.32 1d1d h LEU 43 Cb 0.56 -0.25 0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1d1d h LEU 43 CO 0.10 1.30 0.00 0.23 -4.11 0.00 0.00 178.44 175.97 1d1d n MET 44 N -4.07 0.05 -0.64 0.17 2.81 0.21 -3.57 117.12 112.09 1d1d n MET 44 Ca -0.07 0.20 0.48 0.00 -1.81 0.00 0.00 57.70 56.50 1d1d n MET 44 Cb 0.66 -1.57 0.74 0.00 -0.71 0.00 0.00 33.22 32.34 1d1d n MET 44 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1d1d n SER 45 N -1.66 0.02 -4.76 7.83 2.88 0.54 -4.27 113.62 114.20 1d1d n SER 45 Ca 0.04 0.95 -0.23 0.00 -1.33 0.00 0.00 58.87 58.30 1d1d n SER 45 Cb 0.25 -0.47 -0.06 0.00 -0.75 0.00 0.00 64.21 63.18 1d1d n SER 45 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1d1d s SER 46 N -3.91 4.73 0.42 -3.46 0.15 -1.23 -5.07 113.70 105.33 1d1d s SER 46 Ca -0.05 -0.80 -0.23 0.00 0.70 0.00 0.00 55.95 55.57 1d1d s SER 46 Cb 0.25 -0.69 -0.09 0.00 -1.71 0.00 0.00 66.02 63.79 1d1d s SER 46 CO 0.81 -0.39 1.05 -2.16 1.20 0.00 0.00 173.24 173.75 1d1d s PRO 47 N -3.90 4.06 0.16 5.44 0.04 -1.26 -4.95 135.00 134.58 1d1d s PRO 47 Ca 0.40 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 62.83 1d1d s PRO 47 Cb -0.02 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 1d1d s PRO 47 CO 0.24 -0.23 0.26 -0.48 0.04 0.00 0.00 177.00 176.83 1d1d s LEU 48 N -2.88 1.03 0.88 -3.56 0.05 -1.26 -5.00 118.68 107.94 1d1d s LEU 48 Ca 0.61 -0.89 -0.11 0.00 0.05 0.00 0.00 54.13 53.79 1d1d s LEU 48 Cb -0.21 1.12 0.12 0.00 -2.05 0.00 0.00 46.19 45.18 1d1d s LEU 48 CO 0.26 -0.88 1.09 -0.76 -0.55 0.00 0.00 176.35 175.51 1d1d s LEU 49 N -2.97 2.47 0.16 1.48 2.01 -1.26 -4.71 118.68 115.86 1d1d s LEU 49 Ca 0.17 1.69 -0.00 0.00 0.01 0.00 0.00 54.13 56.00 1d1d s LEU 49 Cb 0.04 -4.15 0.01 0.00 0.01 0.00 0.00 46.19 42.10 1d1d s LEU 49 CO -0.00 -2.63 1.39 1.55 1.01 0.00 0.00 176.35 177.67 1d1d h PRO 50 N -1.54 0.30 -0.47 1.29 0.13 -1.91 -2.72 132.00 127.07 1d1d h PRO 50 Ca -0.48 -0.30 -0.12 0.00 -0.87 0.00 0.00 66.00 64.24 1d1d h PRO 50 Cb 1.27 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1d1d h PRO 50 CO 0.52 0.98 -0.18 0.45 -0.23 0.00 0.00 178.00 179.53 1d1d h HIS 51 N 0.18 1.09 -0.24 1.56 3.86 -1.92 -2.58 115.15 117.11 1d1d h HIS 51 Ca -0.05 -0.26 -0.05 0.00 -1.16 0.00 0.00 60.37 58.86 1d1d h HIS 51 Cb 1.44 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 1d1d h HIS 51 CO 0.04 1.07 -0.06 -0.44 0.86 0.00 0.00 177.93 179.40 1d1d h ASP 52 N 0.81 0.34 -0.50 2.45 5.19 -1.93 -1.47 116.42 121.31 1d1d h ASP 52 Ca 0.11 -0.06 0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1d1d h ASP 52 Cb 0.75 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.14 1d1d h ASP 52 CO 0.06 0.45 0.28 0.58 -3.12 0.00 0.00 179.24 177.49 1d1d h VAL 53 N 0.35 1.02 -0.30 -1.35 2.07 -1.14 1.04 116.25 117.95 1d1d h VAL 53 Ca 0.08 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 1d1d h VAL 53 Cb 0.33 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1d1d h VAL 53 CO 0.01 0.10 -0.02 0.71 0.02 0.00 0.00 177.57 178.40 1d1d h THR 54 N 0.56 1.26 -0.41 2.57 1.35 -1.23 0.46 112.91 117.48 1d1d h THR 54 Ca 0.21 -0.99 -0.05 0.00 -0.55 0.00 0.00 66.41 65.03 1d1d h THR 54 Cb 0.06 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 1d1d h THR 54 CO -0.11 0.32 0.05 -0.55 -0.25 0.00 0.00 175.52 174.97 1d1d h ASN 55 N 0.32 0.59 0.10 5.36 -1.07 -0.78 0.43 115.58 120.53 1d1d h ASN 55 Ca 0.08 -0.11 -0.00 0.00 0.07 0.00 0.00 56.30 56.34 1d1d h ASN 55 Cb 0.47 -0.15 0.00 0.00 -2.07 0.00 0.00 38.32 36.57 1d1d h ASN 55 CO 0.02 0.63 -0.05 0.25 0.07 0.00 0.00 177.43 178.35 1d1d h LEU 56 N 0.61 -0.11 -0.58 6.14 5.85 0.14 -2.56 115.31 124.80 1d1d h LEU 56 Ca 0.13 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.44 1d1d h LEU 56 Cb 0.31 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1d1d h LEU 56 CO 0.01 0.43 0.34 0.24 -0.34 0.00 0.00 178.44 179.12 1d1d h MET 57 N -0.71 0.65 -0.76 1.25 2.86 0.12 -0.79 114.93 117.55 1d1d h MET 57 Ca -0.01 -0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 1d1d h MET 57 Cb 0.55 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.01 1d1d h MET 57 CO 0.02 0.43 0.50 -0.09 1.06 0.00 0.00 176.91 178.83 1d1d h ARG 58 N 0.67 0.73 -0.17 1.72 2.43 -0.19 1.74 114.38 121.31 1d1d h ARG 58 Ca 0.24 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 1d1d h ARG 58 Cb 0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1d1d h ARG 58 CO -0.12 0.48 -0.51 0.28 -1.51 0.00 0.00 179.97 178.60 1d1d h VAL 59 N 0.75 1.33 0.05 0.20 2.07 -0.82 -3.14 116.25 116.69 1d1d h VAL 59 Ca 0.34 -1.74 -0.19 0.00 0.82 0.00 0.00 66.70 65.93 1d1d h VAL 59 Cb 0.33 1.75 0.02 0.00 -1.52 0.00 0.00 31.29 31.87 1d1d h VAL 59 CO -0.12 0.54 -0.76 0.40 0.02 0.00 0.00 177.57 177.65 1d1d h ILE 60 N 0.37 1.42 -3.76 4.57 2.04 0.46 -3.45 117.51 119.16 1d1d h ILE 60 Ca 0.01 -2.25 -0.61 0.00 1.00 0.00 0.00 64.86 63.01 1d1d h ILE 60 Cb 1.02 2.75 -0.32 0.00 -0.74 0.00 0.00 36.82 39.53 1d1d h ILE 60 CO 0.09 0.66 -0.86 -1.48 0.00 0.00 0.00 178.15 176.56 1d1d s LEU 61 N -8.15 1.96 0.00 1.44 2.34 0.57 -4.94 118.68 111.90 1d1d s LEU 61 Ca -0.13 -0.43 -0.08 0.00 0.06 0.00 0.00 54.13 53.55 1d1d s LEU 61 Cb 0.03 -1.15 0.13 0.00 -0.56 0.00 0.00 46.19 44.65 1d1d s LEU 61 CO 0.84 0.16 0.30 0.61 -1.06 0.00 0.00 176.35 177.21 1d1d n GLY 62 N 3.25 -1.97 0.20 -3.48 0.00 -1.24 -3.87 105.19 98.08 1d1d n GLY 62 Ca -0.19 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.33 1d1d n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1d h PRO 63 N 0.00 0.00 0.43 1.61 0.13 -1.97 -2.16 132.00 130.04 1d1d h PRO 63 Ca -0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1d1d h PRO 63 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1d1d h PRO 63 CO 0.08 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 177.65 1d1d h ALA 64 N 2.14 -0.57 0.00 -0.56 0.00 -1.98 -3.16 119.26 115.13 1d1d h ALA 64 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1d1d h ALA 64 Cb 0.68 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1d1d h ALA 64 CO 0.00 -0.54 0.00 -0.35 0.00 0.00 0.00 179.25 178.36 1d1d n PRO 65 N -5.16 0.75 -0.01 0.00 -0.04 -1.23 -3.14 135.00 126.17 1d1d n PRO 65 Ca -0.07 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.22 1d1d n PRO 65 Cb 0.23 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 1d1d n PRO 65 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1d1d h TYR 66 N 0.00 0.55 -0.05 0.54 3.20 -1.35 -2.87 116.97 116.99 1d1d h TYR 66 Ca 0.00 -0.28 0.02 0.00 3.14 0.00 0.00 58.73 61.60 1d1d h TYR 66 Cb 0.00 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1d1d h TYR 66 CO 0.00 1.08 0.04 0.00 -1.64 0.00 0.00 178.16 177.64 1d1d h ALA 67 N 0.35 2.03 -0.26 1.82 0.00 -1.58 0.72 119.26 122.34 1d1d h ALA 67 Ca -0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1d1d h ALA 67 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1d1d h ALA 67 CO 0.10 -0.07 -0.14 -0.07 0.00 0.00 0.00 179.25 179.07 1d1d h LEU 68 N 0.00 0.58 -0.35 0.00 4.07 -1.70 0.13 115.31 118.04 1d1d h LEU 68 Ca 0.03 -0.42 -0.17 0.00 0.08 0.00 0.00 57.88 57.39 1d1d h LEU 68 Cb 0.10 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1d1d h LEU 68 CO -0.00 0.87 -0.47 -0.25 -1.08 0.00 0.00 178.44 177.51 1d1d h TRP 69 N 0.29 1.11 -0.85 1.13 7.01 -0.94 -0.18 115.95 123.52 1d1d h TRP 69 Ca 0.06 -0.37 -0.00 0.00 2.11 0.00 0.00 58.89 60.69 1d1d h TRP 69 Cb 0.66 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.46 1d1d h TRP 69 CO 0.06 1.20 0.52 0.52 -2.79 0.00 0.00 178.44 177.95 1d1d h MET 70 N 0.71 1.14 -0.17 2.65 2.86 0.51 1.47 114.93 124.10 1d1d h MET 70 Ca 0.04 -0.10 -0.09 0.00 -2.06 0.00 0.00 59.70 57.49 1d1d h MET 70 Cb 1.08 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 1d1d h MET 70 CO 0.11 0.79 -0.25 0.22 1.06 0.00 0.00 176.91 178.84 1d1d h ASP 71 N 1.16 0.52 0.35 1.22 3.58 -0.62 -1.77 116.42 120.87 1d1d h ASP 71 Ca 0.31 -0.52 -0.08 0.00 0.42 0.00 0.00 57.03 57.16 1d1d h ASP 71 Cb -0.06 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 1d1d h ASP 71 CO -0.06 0.94 -0.38 0.00 -2.88 0.00 0.00 179.24 176.86 1d1d h ALA 72 N 0.60 1.34 -0.42 -0.78 0.00 -0.66 -2.03 119.26 117.31 1d1d h ALA 72 Ca 0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1d1d h ALA 72 Cb 0.82 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1d1d h ALA 72 CO 0.06 0.49 -0.14 2.35 0.00 0.00 0.00 179.25 182.01 1d1d h TRP 73 N 0.03 0.86 -0.60 0.00 7.01 0.22 0.50 115.95 123.97 1d1d h TRP 73 Ca 0.00 -0.17 -0.05 0.00 2.11 0.00 0.00 58.89 60.78 1d1d h TRP 73 Cb 0.68 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.50 1d1d h TRP 73 CO 0.00 0.86 0.17 0.78 -2.79 0.00 0.00 178.44 177.46 1d1d h GLY 74 N 0.97 1.02 0.76 2.65 0.00 -0.62 0.23 103.07 108.09 1d1d h GLY 74 Ca 0.11 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1d1d h GLY 74 CO 0.04 0.58 -0.06 -2.08 0.00 0.00 0.00 176.54 175.02 1d1d h VAL 75 N 0.87 1.31 -0.38 4.60 2.07 -1.14 -1.06 116.25 122.52 1d1d h VAL 75 Ca 0.19 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.64 1d1d h VAL 75 Cb 0.32 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1d1d h VAL 75 CO -0.00 0.32 0.22 1.56 0.02 0.00 0.00 177.57 179.69 1d1d h GLN 76 N -0.00 0.44 -0.63 1.57 7.50 -0.75 -0.97 115.11 122.27 1d1d h GLN 76 Ca 0.04 -0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.19 1d1d h GLN 76 Cb 0.52 -0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.91 1d1d h GLN 76 CO 0.02 0.29 0.39 -0.07 -1.50 0.00 0.00 178.83 177.96 1d1d h LEU 77 N 0.46 0.63 -1.30 1.46 3.38 -0.48 -1.04 115.31 118.41 1d1d h LEU 77 Ca 0.15 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1d1d h LEU 77 Cb -0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1d1d h LEU 77 CO -0.06 0.43 0.50 1.56 0.09 0.00 0.00 178.44 180.96 1d1d h GLN 78 N 0.76 0.86 -0.54 1.13 4.20 -0.52 -0.24 115.11 120.74 1d1d h GLN 78 Ca 0.26 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1d1d h GLN 78 Cb 0.03 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1d1d h GLN 78 CO -0.11 0.57 0.33 1.15 -0.67 0.00 0.00 178.83 180.10 1d1d h THR 79 N 0.88 1.15 -0.24 -0.54 2.02 0.14 0.78 112.91 117.11 1d1d h THR 79 Ca 0.32 -0.33 -0.17 0.00 0.77 0.00 0.00 66.41 67.00 1d1d h THR 79 Cb 0.14 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1d1d h THR 79 CO -0.10 0.16 -0.54 0.58 0.37 0.00 0.00 175.52 175.99 1d1d h VAL 80 N 0.74 1.30 -0.05 3.16 2.07 -0.70 0.48 116.25 123.25 1d1d h VAL 80 Ca 0.20 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1d1d h VAL 80 Cb -0.04 1.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 1d1d h VAL 80 CO -0.04 0.56 0.02 0.40 0.02 0.00 0.00 177.57 178.53 1d1d h ILE 81 N 0.55 1.16 -0.36 4.57 1.08 -0.42 0.33 117.51 124.41 1d1d h ILE 81 Ca 0.01 -0.48 -0.08 0.00 -0.39 0.00 0.00 64.86 63.92 1d1d h ILE 81 Cb 1.11 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 1d1d h ILE 81 CO 0.11 0.13 -0.09 0.00 -0.69 0.00 0.00 178.15 177.61 1d1d h ALA 82 N 0.83 0.50 -0.46 1.87 0.00 -0.86 0.20 119.26 121.34 1d1d h ALA 82 Ca 0.02 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.67 1d1d h ALA 82 Cb 0.20 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1d1d h ALA 82 CO -0.00 0.36 0.20 0.00 0.00 0.00 0.00 179.25 179.81 1d1d h ALA 83 N 0.82 0.57 -0.33 0.00 0.00 0.12 0.50 119.26 120.94 1d1d h ALA 83 Ca 0.09 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1d1d h ALA 83 Cb 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1d1d h ALA 83 CO 0.04 -0.17 -0.10 0.00 0.00 0.00 0.00 179.25 179.02 1d1d h ALA 84 N 1.27 1.21 -0.48 0.00 0.00 -0.18 0.60 119.26 121.67 1d1d h ALA 84 Ca 0.21 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1d1d h ALA 84 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1d1d h ALA 84 CO -0.17 0.51 -0.03 1.15 0.00 0.00 0.00 179.25 180.71 1d1d h THR 85 N 0.52 1.27 -0.39 0.00 2.02 0.70 -3.02 112.91 114.01 1d1d h THR 85 Ca 0.10 -1.12 -0.13 0.00 0.77 0.00 0.00 66.41 66.02 1d1d h THR 85 Cb 0.49 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1d1d h THR 85 CO 0.03 0.39 -0.27 0.03 0.37 0.00 0.00 175.52 176.07 1d1d h ARG 86 N 0.73 0.87 -4.72 6.66 3.08 0.30 -3.39 114.38 117.91 1d1d h ARG 86 Ca 0.13 -0.42 -0.68 0.00 0.07 0.00 0.00 59.98 59.09 1d1d h ARG 86 Cb 0.56 -0.01 -0.35 0.00 0.08 0.00 0.00 29.97 30.25 1d1d h ARG 86 CO 0.03 1.06 -0.69 -0.51 -1.07 0.00 0.00 179.97 178.79 1d1d s ASP 87 N -6.66 4.87 -0.52 7.04 1.01 0.17 -4.99 116.67 117.58 1d1d s ASP 87 Ca -0.12 -1.56 -0.06 0.00 0.71 0.00 0.00 52.55 51.52 1d1d s ASP 87 Cb 0.11 -1.69 -0.14 0.00 1.01 0.00 0.00 42.92 42.20 1d1d s ASP 87 CO 0.86 -0.32 2.69 -0.81 0.21 0.00 0.00 175.17 177.80 1d1d n PRO 88 N 4.53 2.05 -0.41 8.23 -0.04 -1.22 -3.09 135.00 145.05 1d1d n PRO 88 Ca -0.09 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1d1d n PRO 88 Cb 0.43 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 1d1d n PRO 88 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1d1d n ARG 89 N 3.19 0.00 -2.93 0.54 5.12 -1.26 -4.51 116.66 116.81 1d1d n ARG 89 Ca 0.44 -0.55 -0.40 0.00 -1.93 0.00 0.00 57.85 55.41 1d1d n ARG 89 Cb 0.47 -0.30 -0.05 0.00 -1.16 0.00 0.00 32.46 31.42 1d1d n ARG 89 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 1d1d s HIS 90 N 0.00 3.83 -0.05 -1.55 3.76 -1.18 -4.95 115.29 115.16 1d1d s HIS 90 Ca 0.00 1.62 0.23 0.00 -0.15 0.00 0.00 55.06 56.76 1d1d s HIS 90 Cb 0.00 -2.85 0.66 0.00 1.11 0.00 0.00 32.58 31.51 1d1d s HIS 90 CO 0.00 0.37 1.71 -1.00 -0.85 0.00 0.00 174.74 174.98 1d1d h PRO 91 N 5.01 0.00 0.00 8.40 0.13 -1.95 -2.84 132.00 140.75 1d1d h PRO 91 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1d1d h PRO 91 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1d1d h PRO 91 CO 0.69 0.22 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 1d1d h ALA 92 N 1.78 1.00 -2.95 -0.56 0.00 -1.92 -3.42 119.26 113.19 1d1d h ALA 92 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1d1d h ALA 92 Cb 0.92 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 1d1d h ALA 92 CO 0.03 0.00 -0.67 0.54 0.00 0.00 0.00 179.25 179.15 1d1d s ASN 93 N -4.30 4.68 0.00 0.00 2.20 -1.07 -4.38 114.94 112.07 1d1d s ASN 93 Ca -0.02 -0.41 0.00 0.00 -0.94 0.00 0.00 52.86 51.49 1d1d s ASN 93 Cb 0.08 -0.97 0.00 0.00 -2.00 0.00 0.00 41.25 38.36 1d1d s ASN 93 CO 0.27 0.10 0.49 0.61 -2.94 0.00 0.00 177.10 175.64 1d1d n GLY 94 N -0.02 -3.47 2.70 0.45 0.00 -1.26 -4.64 105.19 98.94 1d1d n GLY 94 Ca -0.10 0.74 -0.06 0.00 0.00 0.00 0.00 46.02 46.60 1d1d n GLY 94 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1d1d n GLN 95 N -1.06 0.51 0.00 1.61 7.27 -1.26 -4.97 117.38 119.48 1d1d n GLN 95 Ca 0.00 -1.24 0.00 0.00 0.07 0.00 0.00 57.00 55.83 1d1d n GLN 95 Cb 0.00 -0.64 0.00 0.00 2.41 0.00 0.00 30.24 32.01 1d1d n GLN 95 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1d1d n GLY 96 N 0.82 0.44 0.32 1.69 0.00 -1.26 -4.33 105.19 102.87 1d1d n GLY 96 Ca 0.01 -1.79 0.15 0.00 0.00 0.00 0.00 46.02 44.39 1d1d n GLY 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d1d n ARG 97 N 0.00 1.41 0.01 1.61 0.63 -1.26 -2.14 116.66 116.92 1d1d n ARG 97 Ca 0.00 -0.65 -0.05 0.00 -0.92 0.00 0.00 57.85 56.23 1d1d n ARG 97 Cb 0.00 -1.49 0.16 0.00 0.45 0.00 0.00 32.46 31.58 1d1d n ARG 97 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1d1d h GLY 98 N 4.90 0.54 0.00 5.14 0.00 -2.01 -3.40 103.07 108.24 1d1d h GLY 98 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1d1d h GLY 98 CO 0.00 0.44 -0.62 1.18 0.00 0.00 0.00 176.54 177.54 1d1d n GLU 99 N -4.07 0.00 -1.21 4.80 1.02 -1.25 -5.00 120.64 114.93 1d1d n GLU 99 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1d1d n GLU 99 Cb 0.46 -0.37 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1d1d n GLU 99 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1d1d n ARG 100 N -2.97 -3.47 -1.57 3.49 3.00 -0.91 -4.80 116.66 109.43 1d1d n ARG 100 Ca 0.00 2.58 -0.30 0.00 -0.00 0.00 0.00 57.85 60.13 1d1d n ARG 100 Cb 0.31 -2.90 0.10 0.00 0.00 0.00 0.00 32.46 29.97 1d1d n ARG 100 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1d1d s THR 101 N -2.97 2.76 -0.06 5.15 -1.32 -1.26 -4.39 115.64 113.56 1d1d s THR 101 Ca 0.00 0.25 -0.08 0.00 -1.21 0.00 0.00 61.69 60.64 1d1d s THR 101 Cb 0.00 -3.01 0.02 0.00 -1.51 0.00 0.00 72.50 67.99 1d1d s THR 101 CO 0.00 -0.32 0.22 0.21 -2.21 0.00 0.00 174.62 172.51 1d1d s ASN 102 N -3.98 -0.18 0.26 8.08 3.84 -1.26 -5.00 114.94 116.69 1d1d s ASN 102 Ca 0.61 0.30 -0.03 0.00 0.21 0.00 0.00 52.86 53.95 1d1d s ASN 102 Cb -0.14 0.40 0.39 0.00 -0.55 0.00 0.00 41.25 41.35 1d1d s ASN 102 CO 0.54 -0.17 1.86 0.25 -2.79 0.00 0.00 177.10 176.79 1d1d h LEU 103 N 5.33 0.93 -0.57 3.21 5.85 -1.98 -0.52 115.31 127.56 1d1d h LEU 103 Ca -0.27 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1d1d h LEU 103 Cb 1.19 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 1d1d h LEU 103 CO 0.38 0.58 0.23 -0.78 -0.34 0.00 0.00 178.44 178.50 1d1d h ASP 104 N 1.06 0.79 -0.57 1.25 3.58 -1.97 -1.33 116.42 119.23 1d1d h ASP 104 Ca 0.41 -0.17 0.08 0.00 0.42 0.00 0.00 57.03 57.77 1d1d h ASP 104 Cb 0.21 -0.20 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 1d1d h ASP 104 CO -0.19 0.74 0.23 0.03 -2.88 0.00 0.00 179.24 177.18 1d1d h ARG 105 N 0.78 0.42 0.00 0.28 3.08 -1.48 0.48 114.38 117.95 1d1d h ARG 105 Ca 0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1d1d h ARG 105 Cb 0.20 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1d1d h ARG 105 CO -0.02 0.28 0.00 -0.07 -1.07 0.00 0.00 179.97 179.09 1d1d h LEU 106 N 0.43 0.00 0.00 3.04 3.38 -0.90 -1.08 115.31 120.18 1d1d h LEU 106 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1d1d h LEU 106 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1d1d h LEU 106 CO -0.25 0.00 -0.50 0.29 0.09 0.00 0.00 178.44 178.06 1d1d n LYS 107 N -2.47 0.27 -1.05 1.13 4.01 0.15 -4.72 118.16 115.48 1d1d n LYS 107 Ca 0.02 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1d1d n LYS 107 Cb 0.25 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 1d1d n LYS 107 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1d1d n GLY 108 N 1.34 1.13 1.11 0.72 0.00 -0.01 -4.79 105.19 104.68 1d1d n GLY 108 Ca 0.04 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.78 1d1d n GLY 108 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1d1d n LEU 109 N -0.09 3.27 -4.74 0.99 -0.00 -0.38 -3.55 117.00 112.50 1d1d n LEU 109 Ca 0.00 -1.49 -0.42 0.00 -0.00 0.00 0.00 56.01 54.11 1d1d n LEU 109 Cb 0.24 -0.30 -0.01 0.00 -0.00 0.00 0.00 43.42 43.36 1d1d n LEU 109 CO 0.00 0.74 1.11 0.00 -0.00 0.00 0.00 177.39 179.24 1d1d n ALA 110 N 1.34 2.10 -1.68 1.96 0.00 -1.26 -4.73 120.51 118.24 1d1d n ALA 110 Ca 0.20 0.36 -0.46 0.00 0.00 0.00 0.00 53.44 53.54 1d1d n ALA 110 Cb 0.56 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 1d1d n ALA 110 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1d1d n ASP 111 N 1.14 3.63 0.00 0.00 -0.08 -1.26 0.46 116.55 120.44 1d1d n ASP 111 Ca 0.05 0.99 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 1d1d n ASP 111 Cb 0.37 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.38 1d1d n ASP 111 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1d1d n GLY 112 N 4.19 2.52 0.09 0.27 0.00 -1.26 -4.79 105.19 106.21 1d1d n GLY 112 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1d1d n GLY 112 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1d1d n MET 113 N -2.00 0.62 -2.60 1.61 2.81 0.17 -4.65 117.12 113.09 1d1d n MET 113 Ca 0.00 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 1d1d n MET 113 Cb 0.00 -1.74 -0.03 0.00 -0.71 0.00 0.00 33.22 30.74 1d1d n MET 113 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1d1d s VAL 114 N -3.28 4.58 0.00 2.03 1.01 -0.77 -2.67 120.40 121.30 1d1d s VAL 114 Ca -0.03 1.87 0.00 0.00 0.00 0.00 0.00 61.98 63.81 1d1d s VAL 114 Cb 0.10 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1d1d s VAL 114 CO 0.82 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1d1d n GLY 115 N 3.17 0.92 2.72 4.51 0.00 -1.26 -5.00 105.19 110.24 1d1d n GLY 115 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1d1d n GLY 115 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1d1d s ASN 116 N -2.80 3.09 -0.05 1.61 2.47 -1.09 -5.03 114.94 113.14 1d1d s ASN 116 Ca 0.00 -0.96 -0.09 0.00 0.42 0.00 0.00 52.86 52.23 1d1d s ASN 116 Cb 0.00 -0.61 -0.05 0.00 -1.45 0.00 0.00 41.25 39.15 1d1d s ASN 116 CO 0.00 -0.33 0.38 1.55 -3.72 0.00 0.00 177.10 174.98 1d1d h PRO 117 N 8.24 -0.30 -0.26 0.43 0.13 -1.95 -0.82 132.00 137.47 1d1d h PRO 117 Ca -0.16 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1d1d h PRO 117 Cb 1.10 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1d1d h PRO 117 CO 0.36 -0.20 -0.08 0.37 -0.23 0.00 0.00 178.00 178.22 1d1d h GLN 118 N -0.98 -0.02 -0.66 0.86 4.15 -1.95 0.19 115.11 116.69 1d1d h GLN 118 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1d1d h GLN 118 Cb 0.24 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.90 1d1d h GLN 118 CO 0.05 -0.01 0.33 0.78 -1.93 0.00 0.00 178.83 178.05 1d1d h GLY 119 N -0.02 1.00 0.94 2.39 0.00 -1.95 -0.14 103.07 105.29 1d1d h GLY 119 Ca 0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1d1d h GLY 119 CO -0.28 0.44 0.14 -1.61 0.00 0.00 0.00 176.54 175.23 1d1d h GLN 120 N 0.93 0.65 -0.09 4.80 4.15 0.10 0.16 115.11 125.81 1d1d h GLN 120 Ca 0.23 -0.14 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1d1d h GLN 120 Cb 0.08 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 1d1d h GLN 120 CO -0.03 0.63 -0.28 0.00 -1.93 0.00 0.00 178.83 177.22 1d1d h ALA 121 N 0.99 1.36 0.00 3.38 0.00 -0.22 -1.07 119.26 123.70 1d1d h ALA 121 Ca 0.14 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1d1d h ALA 121 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1d1d h ALA 121 CO -0.01 0.45 -0.15 0.00 0.00 0.00 0.00 179.25 179.55 1d1d h ALA 122 N 1.56 0.94 0.00 0.00 0.00 -0.45 -2.89 119.26 118.43 1d1d h ALA 122 Ca 0.02 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1d1d h ALA 122 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1d1d h ALA 122 CO 0.04 0.18 -0.82 1.25 0.00 0.00 0.00 179.25 179.90 1d1d h LEU 123 N 0.00 0.00 -8.31 0.00 6.46 0.51 -3.42 115.31 110.54 1d1d h LEU 123 Ca -0.00 0.00 -0.66 0.00 -0.12 0.00 0.00 57.88 57.10 1d1d h LEU 123 Cb 0.93 0.00 -0.29 0.00 -0.73 0.00 0.00 40.66 40.57 1d1d h LEU 123 CO 0.02 0.76 -0.74 -1.48 -0.62 0.00 0.00 178.44 176.38 1d1d s LEU 124 N -6.53 2.91 1.03 2.25 0.05 -0.58 -5.09 118.68 112.71 1d1d s LEU 124 Ca 0.02 -0.53 -0.18 0.00 0.05 0.00 0.00 54.13 53.49 1d1d s LEU 124 Cb 0.09 -1.70 -0.02 0.00 -2.05 0.00 0.00 46.19 42.51 1d1d s LEU 124 CO 0.79 -0.05 -0.31 -2.11 -0.55 0.00 0.00 176.35 174.12 1d1d n ARG 125 N 4.76 -0.64 -2.34 1.48 0.00 -1.26 -4.74 116.66 113.92 1d1d n ARG 125 Ca -0.18 -0.17 -0.43 0.00 -0.00 0.00 0.00 57.85 57.08 1d1d n ARG 125 Cb 0.50 -1.49 -0.02 0.00 -0.00 0.00 0.00 32.46 31.44 1d1d n ARG 125 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1d1d s PRO 126 N -2.98 3.49 0.00 2.89 0.04 -1.26 -3.85 135.00 133.34 1d1d s PRO 126 Ca 0.50 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1d1d s PRO 126 Cb -0.11 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1d1d s PRO 126 CO 0.70 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.47 1d1d n GLY 127 N 5.14 0.61 0.34 0.56 0.00 -1.26 -4.96 105.19 105.63 1d1d n GLY 127 Ca 0.16 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.33 1d1d n GLY 127 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1d1d h GLU 128 N 0.00 0.36 -0.59 1.61 4.81 -1.81 0.68 114.58 119.65 1d1d h GLU 128 Ca 0.00 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1d1d h GLU 128 Cb 0.00 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1d1d h GLU 128 CO 0.00 0.24 0.07 -0.07 -0.73 0.00 0.00 179.01 178.52 1d1d h LEU 129 N 0.37 0.92 -1.02 1.64 3.38 -1.84 -2.23 115.31 116.54 1d1d h LEU 129 Ca 0.23 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.00 1d1d h LEU 129 Cb 0.44 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1d1d h LEU 129 CO -0.06 0.94 0.65 0.58 0.09 0.00 0.00 178.44 180.65 1d1d h VAL 130 N 0.91 1.26 -0.89 1.22 2.07 -1.17 0.25 116.25 119.89 1d1d h VAL 130 Ca 0.18 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1d1d h VAL 130 Cb 0.43 -0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 1d1d h VAL 130 CO 0.01 0.25 0.53 0.00 0.02 0.00 0.00 177.57 178.38 1d1d h ALA 131 N 1.37 1.14 -0.37 1.67 0.00 -1.00 0.51 119.26 122.58 1d1d h ALA 131 Ca 0.36 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.02 1d1d h ALA 131 Cb -0.15 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.27 1d1d h ALA 131 CO -0.08 0.61 -0.34 0.82 0.00 0.00 0.00 179.25 180.26 1d1d h ILE 132 N 1.23 1.28 -0.06 0.00 2.04 -0.76 0.11 117.51 121.34 1d1d h ILE 132 Ca 0.32 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.67 1d1d h ILE 132 Cb -0.03 1.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1d1d h ILE 132 CO -0.06 0.50 0.00 0.74 0.00 0.00 0.00 178.15 179.33 1d1d h THR 133 N 0.70 1.24 -0.37 -0.27 2.02 0.26 0.21 112.91 116.70 1d1d h THR 133 Ca 0.07 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 1d1d h THR 133 Cb 0.89 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.89 1d1d h THR 133 CO 0.08 0.20 0.18 0.00 0.37 0.00 0.00 175.52 176.35 1d1d h ALA 134 N 0.74 0.47 -0.35 6.16 0.00 0.02 -1.36 119.26 124.94 1d1d h ALA 134 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1d1d h ALA 134 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1d1d h ALA 134 CO 0.00 0.03 0.13 0.66 0.00 0.00 0.00 179.25 180.08 1d1d h SER 135 N 0.45 0.45 -0.41 0.00 4.64 -0.70 -1.05 113.55 116.93 1d1d h SER 135 Ca 0.13 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1d1d h SER 135 Cb 0.12 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1d1d h SER 135 CO -0.02 0.42 -0.02 0.00 -0.87 0.00 0.00 176.83 176.34 1d1d h ALA 136 N 1.66 1.06 -0.54 5.18 0.00 0.15 -0.69 119.26 126.08 1d1d h ALA 136 Ca 0.12 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1d1d h ALA 136 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1d1d h ALA 136 CO -0.01 0.59 -0.12 -0.07 0.00 0.00 0.00 179.25 179.63 1d1d h LEU 137 N 0.75 1.04 -0.78 0.00 4.07 -0.16 -1.05 115.31 119.20 1d1d h LEU 137 Ca 0.14 -0.36 -0.05 0.00 0.08 0.00 0.00 57.88 57.69 1d1d h LEU 137 Cb 0.49 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.91 1d1d h LEU 137 CO 0.02 1.16 0.28 1.56 -1.08 0.00 0.00 178.44 180.38 1d1d h GLN 138 N 0.91 1.18 -0.16 1.13 7.50 -0.81 -1.30 115.11 123.57 1d1d h GLN 138 Ca 0.14 -0.24 -0.09 0.00 0.50 0.00 0.00 58.65 58.96 1d1d h GLN 138 Cb 0.69 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 1d1d h GLN 138 CO 0.05 0.98 -0.31 0.00 -1.50 0.00 0.00 178.83 178.05 1d1d h ALA 139 N 1.15 1.19 0.55 3.87 0.00 -0.89 -2.56 119.26 122.55 1d1d h ALA 139 Ca 0.25 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1d1d h ALA 139 Cb 0.27 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1d1d h ALA 139 CO -0.01 0.53 -0.26 0.35 0.00 0.00 0.00 179.25 179.86 1d1d h PHE 140 N 0.27 -0.68 -0.47 0.00 3.04 -0.46 -2.54 116.94 116.10 1d1d h PHE 140 Ca 0.04 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.11 1d1d h PHE 140 Cb 0.68 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.40 1d1d h PHE 140 CO 0.01 -0.35 0.41 0.00 -2.02 0.00 0.00 178.31 176.37 1d1d h ARG 141 N -0.98 0.00 -0.44 1.11 3.08 -1.23 0.54 114.38 116.46 1d1d h ARG 141 Ca -0.07 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.85 1d1d h ARG 141 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1d1d h ARG 141 CO 0.12 0.00 -0.23 1.49 -1.07 0.00 0.00 179.97 180.28 1d1d h GLU 142 N 0.00 0.92 0.21 0.04 4.81 -1.15 -0.71 114.58 118.69 1d1d h GLU 142 Ca 0.22 -0.39 -0.29 0.00 -0.13 0.00 0.00 59.36 58.77 1d1d h GLU 142 Cb 1.05 -0.03 0.03 0.00 0.63 0.00 0.00 28.75 30.43 1d1d h GLU 142 CO -0.00 1.05 -1.30 0.28 -0.73 0.00 0.00 179.01 178.30 1d1d h VAL 143 N 0.79 1.32 -0.42 0.32 2.07 -0.02 -2.23 116.25 118.08 1d1d h VAL 143 Ca 0.10 -2.63 0.07 0.00 0.82 0.00 0.00 66.70 65.06 1d1d h VAL 143 Cb 0.79 3.06 -0.06 0.00 -1.52 0.00 0.00 31.29 33.57 1d1d h VAL 143 CO 0.07 0.78 0.09 0.00 0.02 0.00 0.00 177.57 178.53 1d1d h ALA 144 N 0.12 0.47 -0.41 1.67 0.00 -0.11 -1.79 119.26 119.21 1d1d h ALA 144 Ca -0.23 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1d1d h ALA 144 Cb 2.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1d1d h ALA 144 CO 0.23 -0.31 -0.06 -0.09 0.00 0.00 0.00 179.25 179.02 1d1d h ARG 145 N 0.23 0.77 -6.01 0.00 2.43 -1.22 -3.43 114.38 107.16 1d1d h ARG 145 Ca 0.21 -0.28 -0.80 0.00 -0.81 0.00 0.00 59.98 58.30 1d1d h ARG 145 Cb 0.25 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1d1d h ARG 145 CO -0.26 0.88 1.09 -0.11 -1.51 0.00 0.00 179.97 180.06 1d1d n LEU 146 N -4.36 1.11 -4.80 3.80 -0.00 -0.67 -4.85 117.00 107.23 1d1d n LEU 146 Ca -0.01 0.86 -0.34 0.00 -0.00 0.00 0.00 56.01 56.52 1d1d n LEU 146 Cb 0.34 -0.94 -0.03 0.00 -0.00 0.00 0.00 43.42 42.80 1d1d n LEU 146 CO 0.42 -0.77 0.72 0.00 -0.00 0.00 0.00 177.39 177.77 1d1d s ALA 147 N 4.94 2.84 0.58 1.96 0.00 -1.26 -4.96 121.76 125.86 1d1d s ALA 147 Ca 1.13 0.60 -0.16 0.00 0.00 0.00 0.00 51.96 53.53 1d1d s ALA 147 Cb -1.43 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 18.39 1d1d s ALA 147 CO 0.70 -0.41 1.06 -1.21 0.00 0.00 0.00 175.76 175.90 1d1d s GLU 148 N -3.33 3.38 0.20 0.00 2.02 -1.26 -5.00 118.70 114.70 1d1d s GLU 148 Ca 0.67 1.24 -0.30 0.00 0.02 0.00 0.00 54.97 56.60 1d1d s GLU 148 Cb -0.17 -2.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.94 1d1d s GLU 148 CO 0.22 -0.77 1.11 -1.25 0.02 0.00 0.00 175.26 174.60 1d1d s PRO 149 N -3.95 4.59 -0.42 0.39 0.04 -1.26 -4.95 135.00 129.45 1d1d s PRO 149 Ca 0.64 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 63.15 1d1d s PRO 149 Cb -0.16 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.10 1d1d s PRO 149 CO 0.34 0.08 1.75 0.00 0.04 0.00 0.00 177.00 179.21 1d1d s ALA 150 N -0.38 2.72 0.00 8.56 0.00 -1.26 -4.51 121.76 126.89 1d1d s ALA 150 Ca 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1d1d s ALA 150 Cb -0.30 -4.08 0.00 0.00 0.00 0.00 0.00 23.12 18.74 1d1d s ALA 150 CO 0.36 -2.92 0.00 0.41 0.00 0.00 0.00 175.76 173.61 1d1d n GLY 151 N 5.43 -0.05 0.18 0.00 0.00 -1.26 -4.91 105.19 104.59 1d1d n GLY 151 Ca 0.21 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 1d1d n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1d1d h PRO 152 N 0.00 0.57 -0.92 1.61 0.13 -1.89 -3.05 132.00 128.45 1d1d h PRO 152 Ca 0.00 -0.56 0.24 0.00 -0.87 0.00 0.00 66.00 64.81 1d1d h PRO 152 Cb 0.00 0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.22 1d1d h PRO 152 CO 0.00 1.18 0.63 0.11 -0.23 0.00 0.00 178.00 179.69 1d1d h TRP 153 N 0.35 0.33 -0.29 1.56 0.09 -1.89 1.45 115.95 117.54 1d1d h TRP 153 Ca -0.08 0.01 -0.03 0.00 0.09 0.00 0.00 58.89 58.88 1d1d h TRP 153 Cb 1.54 -0.10 -0.02 0.00 0.08 0.00 0.00 29.16 30.66 1d1d h TRP 153 CO 0.08 0.07 0.04 0.00 0.09 0.00 0.00 178.44 178.72 1d1d h ALA 154 N 1.59 1.53 0.00 0.11 0.00 -1.95 -0.29 119.26 120.25 1d1d h ALA 154 Ca 0.47 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 1d1d h ALA 154 Cb 1.45 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1d1d h ALA 154 CO -0.12 0.34 -0.17 -0.44 0.00 0.00 0.00 179.25 178.86 1d1d h ASP 155 N 0.42 0.00 -3.19 0.00 3.32 0.18 -3.43 116.42 113.72 1d1d h ASP 155 Ca 0.10 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.57 1d1d h ASP 155 Cb 0.21 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1d1d h ASP 155 CO 0.00 0.08 0.62 -0.63 -1.72 0.00 0.00 179.24 177.59 1d1d s ILE 156 N -3.18 4.76 -0.04 0.35 1.01 -0.12 -5.03 121.20 118.95 1d1d s ILE 156 Ca 0.06 1.84 0.05 0.00 0.00 0.00 0.00 60.65 62.61 1d1d s ILE 156 Cb 0.06 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1d1d s ILE 156 CO 0.69 -0.10 -0.20 0.42 0.00 0.00 0.00 174.94 175.76 1d1d s THR 157 N 2.81 1.61 -0.34 2.92 -4.23 -1.26 -4.90 115.64 112.25 1d1d s THR 157 Ca 0.41 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.79 1d1d s THR 157 Cb -0.16 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1d1d s THR 157 CO 0.09 0.46 1.36 -1.58 -0.54 0.00 0.00 174.62 174.40 1d1d s GLN 158 N -0.17 3.77 0.31 3.99 2.00 -1.14 -5.00 119.66 123.41 1d1d s GLN 158 Ca -0.00 1.13 0.09 0.00 -2.00 0.00 0.00 55.36 54.58 1d1d s GLN 158 Cb -0.11 -3.95 -0.05 0.00 0.80 0.00 0.00 33.01 29.71 1d1d s GLN 158 CO 0.02 -1.31 0.02 0.20 -0.50 0.00 0.00 175.29 173.71 1d1d s GLY 159 N 3.32 1.86 0.33 2.59 0.00 -1.26 -3.98 107.32 110.18 1d1d s GLY 159 Ca 0.59 -1.80 0.17 0.00 0.00 0.00 0.00 44.72 43.67 1d1d s GLY 159 CO 0.27 -1.80 1.62 -0.56 0.00 0.00 0.00 173.10 172.63 1d1d h PRO 160 N 1.82 0.00 -0.04 2.90 0.13 -1.96 -3.03 132.00 131.82 1d1d h PRO 160 Ca -0.43 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.56 1d1d h PRO 160 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1d1d h PRO 160 CO 0.63 0.46 -0.59 0.66 -0.23 0.00 0.00 178.00 178.94 1d1d h SER 161 N 0.00 0.16 -2.93 1.44 4.64 -2.00 -3.43 113.55 111.43 1d1d h SER 161 Ca -0.00 -0.09 -0.63 0.00 -0.47 0.00 0.00 61.79 60.59 1d1d h SER 161 Cb 1.10 -0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.06 1d1d h SER 161 CO 0.06 0.71 -0.42 -1.61 -0.87 0.00 0.00 176.83 174.69 1d1d s GLU 162 N -3.75 3.80 0.55 4.77 8.01 -1.14 -5.06 118.70 125.87 1d1d s GLU 162 Ca -0.03 -0.05 -0.21 0.00 0.01 0.00 0.00 54.97 54.69 1d1d s GLU 162 Cb 0.12 -3.28 -0.06 0.00 -4.31 0.00 0.00 34.13 26.60 1d1d s GLU 162 CO 0.78 0.58 1.15 0.45 0.01 0.00 0.00 175.26 178.22 1d1d n SER 163 N 2.55 1.69 0.08 -0.19 2.88 -1.26 -4.52 113.62 114.85 1d1d n SER 163 Ca -0.17 0.92 -0.13 0.00 -1.33 0.00 0.00 58.87 58.16 1d1d n SER 163 Cb 0.53 -1.47 -0.08 0.00 -0.75 0.00 0.00 64.21 62.44 1d1d n SER 163 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1d1d h PHE 164 N 1.08 -0.18 -0.20 0.66 3.57 -1.94 0.22 116.94 120.15 1d1d h PHE 164 Ca -0.49 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 60.98 1d1d h PHE 164 Cb 1.33 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 1d1d h PHE 164 CO 0.42 0.14 0.02 0.28 -2.23 0.00 0.00 178.31 176.93 1d1d h VAL 165 N -0.51 1.24 -0.41 1.41 2.07 -1.96 0.30 116.25 118.39 1d1d h VAL 165 Ca -0.02 -0.81 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1d1d h VAL 165 Cb 0.40 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1d1d h VAL 165 CO 0.03 0.25 0.12 0.44 0.02 0.00 0.00 177.57 178.43 1d1d h ASP 166 N 0.11 0.09 0.62 0.57 5.19 -1.94 0.45 116.42 121.52 1d1d h ASP 166 Ca 0.06 0.06 -0.06 0.00 -0.62 0.00 0.00 57.03 56.46 1d1d h ASP 166 Cb 0.36 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 1d1d h ASP 166 CO 0.01 0.08 -0.30 0.15 -3.12 0.00 0.00 179.24 176.06 1d1d h PHE 167 N 0.26 0.00 0.01 4.55 3.57 -0.38 -2.65 116.94 122.30 1d1d h PHE 167 Ca 0.19 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 1d1d h PHE 167 Cb 0.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1d1d h PHE 167 CO -0.17 0.30 -0.00 0.00 -2.23 0.00 0.00 178.31 176.21 1d1d h ALA 168 N 1.70 -0.01 -0.84 2.41 0.00 0.16 -1.00 119.26 121.68 1d1d h ALA 168 Ca -0.00 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1d1d h ALA 168 Cb 0.70 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1d1d h ALA 168 CO 0.04 -0.35 0.52 -0.91 0.00 0.00 0.00 179.25 178.55 1d1d h ASN 169 N -0.32 0.82 -0.65 0.00 2.35 -0.89 0.46 115.58 117.36 1d1d h ASN 169 Ca -0.00 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 1d1d h ASN 169 Cb 0.32 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1d1d h ASN 169 CO 0.00 0.53 0.37 0.03 -1.65 0.00 0.00 177.43 176.71 1d1d h ARG 170 N 0.96 0.92 -0.03 0.81 2.47 -1.29 0.37 114.38 118.58 1d1d h ARG 170 Ca 0.36 -0.09 -0.02 0.00 -1.26 0.00 0.00 59.98 58.96 1d1d h ARG 170 Cb 0.14 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1d1d h ARG 170 CO -0.16 0.67 -0.08 1.25 0.56 0.00 0.00 179.97 182.21 1d1d h LEU 171 N 0.93 0.11 -1.15 3.04 6.46 0.31 -1.52 115.31 123.49 1d1d h LEU 171 Ca 0.24 -0.62 0.06 0.00 -0.12 0.00 0.00 57.88 57.44 1d1d h LEU 171 Cb 0.01 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.85 1d1d h LEU 171 CO -0.04 0.71 0.59 0.40 -0.62 0.00 0.00 178.44 179.48 1d1d h ILE 172 N -0.48 1.08 -0.47 4.05 2.04 0.17 0.36 117.51 124.26 1d1d h ILE 172 Ca -0.00 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 1d1d h ILE 172 Cb 0.70 -0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1d1d h ILE 172 CO 0.02 0.19 -0.08 0.11 0.00 0.00 0.00 178.15 178.39 1d1d h LYS 173 N 1.04 0.83 0.19 2.37 1.57 -0.23 0.40 116.57 122.74 1d1d h LYS 173 Ca 0.38 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1d1d h LYS 173 Cb 0.17 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1d1d h LYS 173 CO -0.14 0.89 -0.09 0.00 -0.57 0.00 0.00 179.45 179.53 1d1d h ALA 174 N 1.15 -0.26 -0.44 3.86 0.00 0.10 -2.22 119.26 121.46 1d1d h ALA 174 Ca 0.13 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1d1d h ALA 174 Cb 0.57 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1d1d h ALA 174 CO 0.03 -0.46 0.25 0.28 0.00 0.00 0.00 179.25 179.35 1d1d h VAL 175 N -0.61 1.03 -0.83 0.00 2.07 -0.28 0.76 116.25 118.39 1d1d h VAL 175 Ca -0.03 -0.17 0.20 0.00 0.82 0.00 0.00 66.70 67.52 1d1d h VAL 175 Cb 0.45 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1d1d h VAL 175 CO 0.04 0.09 0.56 -0.08 0.02 0.00 0.00 177.57 178.21 1d1d h GLU 176 N 0.50 0.27 -0.47 1.57 4.81 -0.15 0.42 114.58 121.52 1d1d h GLU 176 Ca 0.18 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 1d1d h GLU 176 Cb 0.03 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.23 1d1d h GLU 176 CO -0.09 0.18 0.09 0.41 -0.73 0.00 0.00 179.01 178.87 1d1d n GLY 177 N -1.57 4.44 3.72 1.92 0.00 -0.29 -4.99 105.19 108.42 1d1d n GLY 177 Ca 0.17 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 1d1d n GLY 177 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1d1d s SER 178 N -1.99 4.56 -1.10 1.61 1.04 0.15 -4.99 113.70 112.97 1d1d s SER 178 Ca 0.47 -0.87 -0.14 0.00 0.48 0.00 0.00 55.95 55.89 1d1d s SER 178 Cb 0.40 -0.64 0.18 0.00 0.10 0.00 0.00 66.02 66.07 1d1d s SER 178 CO 0.06 -0.35 1.26 -1.81 0.98 0.00 0.00 173.24 173.38 1d1d s ASP 179 N -3.84 6.99 0.15 7.02 1.01 -1.26 -4.97 116.67 121.76 1d1d s ASP 179 Ca 0.38 -2.85 0.07 0.00 0.71 0.00 0.00 52.55 50.87 1d1d s ASP 179 Cb -0.01 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 1d1d s ASP 179 CO 0.22 -0.73 -0.17 -0.76 0.21 0.00 0.00 175.17 173.95 1d1d s LEU 180 N 1.25 2.42 0.77 1.23 1.43 -1.26 -5.02 118.68 119.50 1d1d s LEU 180 Ca 0.36 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.51 1d1d s LEU 180 Cb -0.05 -0.72 0.05 0.00 0.03 0.00 0.00 46.19 45.50 1d1d s LEU 180 CO -0.04 -0.08 1.09 -2.16 0.23 0.00 0.00 176.35 175.39 1d1d s PRO 181 N -2.74 2.35 -1.19 1.29 0.04 -1.26 -4.92 135.00 128.57 1d1d s PRO 181 Ca 0.13 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.70 1d1d s PRO 181 Cb -0.05 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1d1d s PRO 181 CO 0.05 -1.46 1.81 -1.25 0.04 0.00 0.00 177.00 176.19 1d1d s PRO 182 N -5.12 3.23 0.00 0.56 0.04 -1.26 -2.24 135.00 130.20 1d1d s PRO 182 Ca 0.60 -1.44 0.00 0.00 0.04 0.00 0.00 61.00 60.20 1d1d s PRO 182 Cb -0.14 -5.36 0.00 0.00 0.04 0.00 0.00 34.50 29.03 1d1d s PRO 182 CO 0.54 -3.05 0.00 0.43 0.04 0.00 0.00 177.00 174.97 1d1d n SER 183 N 11.33 0.00 0.02 6.66 7.64 -1.26 -4.94 113.62 133.07 1d1d n SER 183 Ca 0.45 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.46 1d1d n SER 183 Cb 0.47 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.09 1d1d n SER 183 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d1d n ALA 184 N 0.00 2.77 -2.09 -0.43 0.00 -0.95 -4.39 120.51 115.42 1d1d n ALA 184 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1d1d n ALA 184 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1d1d n ALA 184 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1d1d n ARG 185 N -1.69 3.20 0.00 0.00 1.74 -1.24 -2.63 116.66 116.04 1d1d n ARG 185 Ca 0.06 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 1d1d n ARG 185 Cb 0.36 -3.15 0.00 0.00 -1.02 0.00 0.00 32.46 28.65 1d1d n ARG 185 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d1d n ALA 186 N 5.39 0.00 0.16 7.54 0.00 -1.26 -4.92 120.51 127.41 1d1d n ALA 186 Ca 0.46 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.93 1d1d n ALA 186 Cb 0.39 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.02 1d1d n ALA 186 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1d1d h PRO 187 N 0.00 0.00 -0.34 0.00 0.13 -1.72 -2.14 132.00 127.93 1d1d h PRO 187 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.98 1d1d h PRO 187 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1d1d h PRO 187 CO 0.00 0.51 -0.36 0.28 -0.23 0.00 0.00 178.00 178.20 1d1d h VAL 188 N 0.00 1.28 -0.09 1.56 2.07 -1.85 0.46 116.25 119.69 1d1d h VAL 188 Ca -0.01 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 1d1d h VAL 188 Cb 1.14 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1d1d h VAL 188 CO 0.07 0.50 -0.04 0.40 0.02 0.00 0.00 177.57 178.52 1d1d h ILE 189 N 0.63 1.31 -0.80 4.57 2.04 -1.77 -0.03 117.51 123.46 1d1d h ILE 189 Ca 0.05 -1.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 1d1d h ILE 189 Cb 0.94 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 1d1d h ILE 189 CO 0.09 0.29 0.33 0.40 0.00 0.00 0.00 178.15 179.26 1d1d h ILE 190 N -0.18 1.26 -0.78 -0.67 2.04 -1.37 -2.01 117.51 115.80 1d1d h ILE 190 Ca 0.02 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 1d1d h ILE 190 Cb 0.47 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1d1d h ILE 190 CO 0.01 0.33 0.38 -0.78 0.00 0.00 0.00 178.15 178.09 1d1d h ASP 191 N 1.17 1.01 -0.71 1.72 3.58 0.03 -1.77 116.42 121.45 1d1d h ASP 191 Ca 0.27 -0.11 0.10 0.00 0.42 0.00 0.00 57.03 57.71 1d1d h ASP 191 Cb 0.20 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 40.92 1d1d h ASP 191 CO -0.02 0.85 0.34 0.00 -2.88 0.00 0.00 179.24 177.52 1d1d h PHE 193 N 0.56 1.06 -0.63 0.00 0.04 -1.03 -1.56 116.94 115.39 1d1d h PHE 193 Ca 0.36 0.02 -0.28 0.00 2.80 0.00 0.00 57.97 60.87 1d1d h PHE 193 Cb 0.41 -0.36 -0.17 0.00 2.20 0.00 0.00 35.95 38.03 1d1d h PHE 193 CO -0.12 0.67 0.24 2.89 -0.60 0.00 0.00 178.31 181.39 1d1d n ARG 194 N -4.41 2.46 -0.04 1.51 -4.01 0.27 -3.80 116.66 108.65 1d1d n ARG 194 Ca 0.10 -3.08 -0.05 0.00 -1.04 0.00 0.00 57.85 53.78 1d1d n ARG 194 Cb 0.02 -2.02 -0.04 0.00 -3.04 0.00 0.00 32.46 27.39 1d1d n ARG 194 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 1d1d n GLN 195 N -0.88 0.45 -2.93 2.89 7.27 0.42 -4.88 117.38 119.72 1d1d n GLN 195 Ca 0.42 0.04 -0.14 0.00 0.07 0.00 0.00 57.00 57.40 1d1d n GLN 195 Cb 1.30 -1.16 0.02 0.00 2.41 0.00 0.00 30.24 32.81 1d1d n GLN 195 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1d1d n LYS 196 N -2.68 0.90 -3.92 3.69 2.85 -1.01 -5.05 118.16 112.95 1d1d n LYS 196 Ca -0.13 -2.48 -0.09 0.00 -1.05 0.00 0.00 58.31 54.55 1d1d n LYS 196 Cb 0.65 -1.34 -0.07 0.00 -0.65 0.00 0.00 35.03 33.63 1d1d n LYS 196 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1d1d s SER 197 N -1.65 0.01 1.00 -5.58 1.04 -1.25 -2.89 113.70 104.38 1d1d s SER 197 Ca 0.31 -0.79 -0.21 0.00 0.48 0.00 0.00 55.95 55.75 1d1d s SER 197 Cb 0.27 0.44 -0.15 0.00 0.10 0.00 0.00 66.02 66.69 1d1d s SER 197 CO -0.11 -0.90 -0.99 0.00 0.98 0.00 0.00 173.24 172.22 1d1d n GLN 198 N -0.22 -0.06 0.09 4.02 0.00 -1.26 -4.54 117.38 115.41 1d1d n GLN 198 Ca -0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 57.00 56.83 1d1d n GLN 198 Cb 0.63 -1.06 0.03 0.00 0.00 0.00 0.00 30.24 29.84 1d1d n GLN 198 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1d1d h PRO 199 N -1.06 0.17 -0.28 2.61 0.13 -1.97 -0.70 132.00 130.92 1d1d h PRO 199 Ca -0.43 -0.17 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1d1d h PRO 199 Cb 1.34 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1d1d h PRO 199 CO 0.23 0.88 0.09 0.22 -0.23 0.00 0.00 178.00 179.20 1d1d h ASP 200 N 0.11 0.40 -0.17 1.44 3.58 -1.97 1.70 116.42 121.50 1d1d h ASP 200 Ca -0.03 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.16 1d1d h ASP 200 Cb 1.39 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.34 1d1d h ASP 200 CO 0.12 0.49 -0.15 0.40 -2.88 0.00 0.00 179.24 177.22 1d1d h ILE 201 N 0.29 1.33 -0.57 2.25 1.08 -1.89 -1.10 117.51 118.90 1d1d h ILE 201 Ca 0.09 -1.29 -0.05 0.00 -0.39 0.00 0.00 64.86 63.22 1d1d h ILE 201 Cb 0.23 1.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1d1d h ILE 201 CO -0.00 0.39 0.18 -0.61 -0.69 0.00 0.00 178.15 177.41 1d1d h GLN 202 N 0.06 0.89 -0.03 2.37 4.15 -0.99 -1.03 115.11 120.52 1d1d h GLN 202 Ca 0.03 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 59.21 1d1d h GLN 202 Cb 0.68 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1d1d h GLN 202 CO 0.04 0.81 -0.19 0.37 -1.93 0.00 0.00 178.83 177.92 1d1d h GLN 203 N 0.80 0.04 -0.01 1.69 5.75 0.26 0.38 115.11 124.03 1d1d h GLN 203 Ca 0.18 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1d1d h GLN 203 Cb 0.29 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.83 1d1d h GLN 203 CO -0.01 0.24 -0.01 1.25 -2.65 0.00 0.00 178.83 177.65 1d1d h LEU 204 N 0.04 0.02 -0.46 -2.39 6.46 -0.55 0.24 115.31 118.67 1d1d h LEU 204 Ca 0.01 -0.53 -0.03 0.00 -0.12 0.00 0.00 57.88 57.20 1d1d h LEU 204 Cb 0.37 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 1d1d h LEU 204 CO 0.03 0.55 0.15 0.40 -0.62 0.00 0.00 178.44 178.95 1d1d h ILE 205 N -0.51 1.22 -0.26 4.05 5.03 -0.89 0.53 117.51 126.68 1d1d h ILE 205 Ca 0.00 -0.72 -0.06 0.00 -0.12 0.00 0.00 64.86 63.96 1d1d h ILE 205 Cb 0.54 0.83 -0.02 0.00 -3.03 0.00 0.00 36.82 35.15 1d1d h ILE 205 CO 0.00 0.26 -0.10 0.03 -0.68 0.00 0.00 178.15 177.66 1d1d h ARG 206 N 0.60 0.43 -0.27 2.37 3.08 -0.26 -0.77 114.38 119.55 1d1d h ARG 206 Ca 0.15 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1d1d h ARG 206 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1d1d h ARG 206 CO -0.01 0.54 0.00 0.00 -1.07 0.00 0.00 179.97 179.43 1d1d n ALA 207 N -2.48 2.48 -0.68 0.04 0.00 0.83 -4.94 120.51 115.75 1d1d n ALA 207 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 53.44 52.45 1d1d n ALA 207 Cb 0.29 -1.01 0.17 0.00 0.00 0.00 0.00 19.45 18.90 1d1d n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d1d s ALA 208 N -1.65 1.37 0.43 0.00 0.00 0.18 -4.96 121.76 117.13 1d1d s ALA 208 Ca 0.33 0.56 -0.23 0.00 0.00 0.00 0.00 51.96 52.62 1d1d s ALA 208 Cb 0.18 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 1d1d s ALA 208 CO 0.26 -2.83 1.05 -1.25 0.00 0.00 0.00 175.76 173.00 1d1d s PRO 209 N -4.64 4.04 0.00 0.00 0.04 -1.26 -4.93 135.00 128.26 1d1d s PRO 209 Ca 0.67 1.47 0.09 0.00 0.04 0.00 0.00 61.00 63.27 1d1d s PRO 209 Cb -0.23 -2.40 0.37 0.00 0.04 0.00 0.00 34.50 32.28 1d1d s PRO 209 CO 0.58 -0.24 1.26 0.43 0.04 0.00 0.00 177.00 179.08 1d1d n SER 210 N -0.36 0.70 -0.27 6.66 7.64 -1.26 -3.10 113.62 123.63 1d1d n SER 210 Ca 0.06 -1.86 0.13 0.00 1.01 0.00 0.00 58.87 58.21 1d1d n SER 210 Cb 0.50 -0.08 0.30 0.00 -1.01 0.00 0.00 64.21 63.93 1d1d n SER 210 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1d1d n THR 211 N -0.18 0.00 -3.63 0.44 5.66 -1.26 -4.90 114.28 110.41 1d1d n THR 211 Ca 0.08 -0.14 -0.15 0.00 -3.05 0.00 0.00 64.05 60.78 1d1d n THR 211 Cb 0.13 0.55 -0.07 0.00 -1.55 0.00 0.00 70.33 69.39 1d1d n THR 211 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1d1d s LEU 212 N -2.53 0.08 -0.39 1.09 0.05 -1.18 -5.07 118.68 110.73 1d1d s LEU 212 Ca 0.22 0.31 0.09 0.00 0.05 0.00 0.00 54.13 54.80 1d1d s LEU 212 Cb 0.19 1.95 0.37 0.00 -2.05 0.00 0.00 46.19 46.65 1d1d s LEU 212 CO 0.54 -0.59 1.35 0.35 -0.55 0.00 0.00 176.35 177.45 1d1d n THR 213 N 0.86 0.00 -4.31 5.48 -2.24 -1.26 -4.68 114.28 108.13 1d1d n THR 213 Ca -0.20 -1.39 -0.25 0.00 -2.27 0.00 0.00 64.05 59.94 1d1d n THR 213 Cb 0.58 0.97 -0.09 0.00 -2.10 0.00 0.00 70.33 69.69 1d1d n THR 213 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1d1d s THR 214 N 0.18 3.19 -1.90 4.28 -4.23 -1.26 -4.15 115.64 111.75 1d1d s THR 214 Ca 0.20 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1d1d s THR 214 Cb 0.38 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.58 1d1d s THR 214 CO -0.09 -0.23 0.71 -0.81 -0.54 0.00 0.00 174.62 173.66 1d1d n PRO 215 N -0.35 0.75 -0.02 3.99 -0.04 -1.26 -2.25 135.00 135.82 1d1d n PRO 215 Ca -0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.32 1d1d n PRO 215 Cb 0.57 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.98 1d1d n PRO 215 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d1d n GLY 216 N 0.24 -0.09 0.08 0.55 0.00 -1.26 -4.49 105.19 100.21 1d1d n GLY 216 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1d1d n GLY 216 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1d1d h GLU 217 N -0.20 0.15 -0.71 1.61 5.08 -1.97 -2.33 114.58 116.21 1d1d h GLU 217 Ca -0.13 -0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.36 1d1d h GLU 217 Cb 1.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 1d1d h GLU 217 CO -0.08 0.33 0.48 0.82 -1.00 0.00 0.00 179.01 179.57 1d1d h ILE 218 N -0.06 0.76 0.26 3.13 5.03 -1.75 0.49 117.51 125.36 1d1d h ILE 218 Ca 0.03 -0.09 -0.01 0.00 -0.12 0.00 0.00 64.86 64.66 1d1d h ILE 218 Cb 0.25 0.46 0.00 0.00 -3.03 0.00 0.00 36.82 34.50 1d1d h ILE 218 CO 0.00 0.05 -0.12 0.40 -0.68 0.00 0.00 178.15 177.79 1d1d h ILE 219 N 0.27 0.78 -0.36 -0.67 1.08 -1.65 0.47 117.51 117.42 1d1d h ILE 219 Ca 0.35 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.57 1d1d h ILE 219 Cb 0.97 0.90 -0.02 0.00 -3.07 0.00 0.00 36.82 35.61 1d1d h ILE 219 CO -0.08 0.05 0.11 0.50 -0.69 0.00 0.00 178.15 178.04 1d1d h LYS 220 N -0.46 0.55 -0.11 2.37 3.64 -0.74 0.39 116.57 122.22 1d1d h LYS 220 Ca -0.04 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1d1d h LYS 220 Cb 0.35 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1d1d h LYS 220 CO 0.06 0.57 -0.10 -0.92 -2.27 0.00 0.00 179.45 176.79 1d1d h TYR 221 N 0.42 -0.24 0.16 1.91 3.20 0.03 0.75 116.97 123.21 1d1d h TYR 221 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1d1d h TYR 221 Cb 0.25 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1d1d h TYR 221 CO 0.01 -0.15 -0.08 0.28 -1.64 0.00 0.00 178.16 176.58 1d1d h VAL 222 N -0.11 0.83 -0.72 1.81 2.07 0.07 0.20 116.25 120.40 1d1d h VAL 222 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.68 1d1d h VAL 222 Cb 0.22 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1d1d h VAL 222 CO -0.18 0.00 0.47 -0.07 0.02 0.00 0.00 177.57 177.81 1d1d h LEU 223 N -0.22 0.59 -0.17 2.57 3.38 -0.55 0.52 115.31 121.43 1d1d h LEU 223 Ca -0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1d1d h LEU 223 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1d1d h LEU 223 CO 0.03 0.36 0.01 -0.78 0.09 0.00 0.00 178.44 178.15 1d1d h ASP 224 N 0.66 0.29 0.04 -0.43 3.58 0.14 -2.75 116.42 117.96 1d1d h ASP 224 Ca 0.33 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 57.41 1d1d h ASP 224 Cb 0.40 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1d1d h ASP 224 CO -0.11 0.52 -0.19 -0.09 -2.88 0.00 0.00 179.24 176.48 1d1d h ARG 225 N 0.06 0.29 0.04 0.28 9.65 0.79 -3.04 114.38 122.45 1d1d h ARG 225 Ca 0.05 -0.08 0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1d1d h ARG 225 Cb 0.36 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 1d1d h ARG 225 CO 0.01 0.48 -0.36 1.96 2.80 0.00 0.00 179.97 184.85 1d1d h GLN 226 N 0.26 -0.52 -6.27 0.20 4.20 0.26 -3.41 115.11 109.84 1d1d h GLN 226 Ca 0.05 0.04 -0.68 0.00 0.06 0.00 0.00 58.65 58.11 1d1d h GLN 226 Cb 0.50 0.12 0.05 0.00 0.30 0.00 0.00 27.48 28.45 1d1d h GLN 226 CO 0.03 -0.35 0.49 1.63 -0.67 0.00 0.00 178.83 179.96 1d1d n LYS 227 N -5.43 1.17 -3.68 1.46 5.02 -1.11 -4.94 118.16 110.64 1d1d n LYS 227 Ca -0.06 0.42 -0.30 0.00 -2.02 0.00 0.00 58.31 56.36 1d1d n LYS 227 Cb 0.35 -2.07 -0.15 0.00 -0.02 0.00 0.00 35.03 33.14 1d1d n LYS 227 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1d1d s ILE 228 N 0.66 0.75 0.07 -0.18 1.10 -1.26 -5.01 121.20 117.32 1d1d s ILE 228 Ca 0.85 -1.49 -0.06 0.00 -0.51 0.00 0.00 60.65 59.45 1d1d s ILE 228 Cb -0.95 -1.57 -0.02 0.00 0.15 0.00 0.00 42.46 40.07 1d1d s ILE 228 CO 0.48 -0.74 0.11 0.00 -2.11 0.00 0.00 174.94 172.67 1d1d s ALA 229 N 1.48 0.04 -2.00 1.50 0.00 -1.26 -5.28 121.76 116.24 1d1d s ALA 229 Ca 0.11 -0.82 0.24 0.00 0.00 0.00 0.00 51.96 51.50 1d1d s ALA 229 Cb -0.18 0.39 1.43 0.00 0.00 0.00 0.00 23.12 24.76 1d1d s ALA 229 CO -0.21 -0.45 1.80 -0.35 0.00 0.00 0.00 175.76 176.55