#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgj n TRP 46 N 0.00 0.45 -3.99 2.89 2.14 -1.26 -4.83 117.44 112.85 2pgj n TRP 46 Ca 0.00 0.13 -0.16 0.00 2.07 0.00 0.00 57.50 59.54 2pgj n TRP 46 Cb 0.00 -0.59 -0.15 0.00 -0.81 0.00 0.00 31.31 29.75 2pgj n TRP 46 CO 0.00 0.00 0.00 -0.98 2.07 0.00 0.00 177.69 178.78 2pgj s ARG 47 N -3.13 0.32 0.35 -2.67 1.70 -1.26 -5.17 118.95 109.10 2pgj s ARG 47 Ca 0.08 -0.00 0.04 0.00 -0.47 0.00 0.00 55.73 55.38 2pgj s ARG 47 Cb 0.14 -0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.09 2pgj s ARG 47 CO 0.70 -0.06 0.51 -0.65 -1.08 0.00 0.00 175.30 174.72 2pgj s GLN 48 N 0.62 3.19 0.07 3.89 -1.52 -1.26 -5.03 119.66 119.63 2pgj s GLN 48 Ca -0.06 -0.79 -0.19 0.00 -1.95 0.00 0.00 55.36 52.36 2pgj s GLN 48 Cb -0.09 -2.76 -0.10 0.00 -0.22 0.00 0.00 33.01 29.84 2pgj s GLN 48 CO -0.01 0.05 1.49 1.15 -0.25 0.00 0.00 175.29 177.72 2pgj h THR 49 N 0.81 1.26 -1.71 -0.19 2.02 -1.94 -3.45 112.91 109.71 2pgj h THR 49 Ca -0.47 -0.93 -0.53 0.00 0.77 0.00 0.00 66.41 65.25 2pgj h THR 49 Cb 1.25 1.45 -0.06 0.00 -1.74 0.00 0.00 68.15 69.05 2pgj h THR 49 CO 0.56 0.28 -0.48 0.26 0.37 0.00 0.00 175.52 176.52 2pgj s TRP 50 N -4.91 2.70 -0.84 3.16 0.52 -1.26 -5.05 118.94 113.26 2pgj s TRP 50 Ca -0.14 -0.46 0.24 0.00 0.02 0.00 0.00 56.10 55.77 2pgj s TRP 50 Cb 0.07 -1.88 0.33 0.00 -1.15 0.00 0.00 33.47 30.85 2pgj s TRP 50 CO 0.74 0.17 1.29 0.43 0.02 0.00 0.00 176.95 179.59 2pgj n SER 51 N -1.30 0.60 -4.97 2.95 7.64 -1.26 -4.71 113.62 112.57 2pgj n SER 51 Ca -0.01 -0.20 -0.21 0.00 1.01 0.00 0.00 58.87 59.46 2pgj n SER 51 Cb 0.62 0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 64.19 2pgj n SER 51 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2pgj s GLY 52 N -3.28 1.29 0.30 0.23 0.00 -0.33 -4.84 107.32 100.69 2pgj s GLY 52 Ca 0.08 -1.23 -0.27 0.00 0.00 0.00 0.00 44.72 43.30 2pgj s GLY 52 CO 0.73 -1.23 0.80 -1.05 0.00 0.00 0.00 173.10 172.36 2pgj n PRO 53 N -1.49 0.89 -1.45 2.90 -0.02 -1.26 -1.73 135.00 132.84 2pgj n PRO 53 Ca -0.07 0.31 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 2pgj n PRO 53 Cb 0.57 -1.59 0.23 0.00 -0.02 0.00 0.00 33.50 32.69 2pgj n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pgj n GLY 54 N 1.51 -2.22 3.78 -1.23 0.00 -1.24 -2.60 105.19 103.19 2pgj n GLY 54 Ca 0.12 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 2pgj n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pgj s THR 55 N -3.44 2.01 0.30 2.61 2.01 -0.47 -4.73 115.64 113.95 2pgj s THR 55 Ca 0.74 0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.46 2pgj s THR 55 Cb -0.05 -3.01 -0.12 0.00 0.01 0.00 0.00 72.50 69.33 2pgj s THR 55 CO 0.55 0.00 1.44 0.41 -0.69 0.00 0.00 174.62 176.33 2pgj n THR 56 N 0.59 1.44 -1.68 -0.82 -1.04 -0.19 -4.73 114.28 107.85 2pgj n THR 56 Ca 0.02 -0.36 -0.41 0.00 -2.04 0.00 0.00 64.05 61.26 2pgj n THR 56 Cb 0.39 -1.71 0.02 0.00 -1.82 0.00 0.00 70.33 67.20 2pgj n THR 56 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2pgj n LYS 57 N 1.39 1.73 -3.61 -2.82 2.85 -1.26 -2.09 118.16 114.35 2pgj n LYS 57 Ca 0.07 0.62 -0.27 0.00 -1.05 0.00 0.00 58.31 57.68 2pgj n LYS 57 Cb 0.35 -2.32 0.01 0.00 -0.65 0.00 0.00 35.03 32.43 2pgj n LYS 57 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2pgj n ARG 58 N -0.10 -4.52 -0.14 -1.58 1.74 -1.26 -4.89 116.66 105.92 2pgj n ARG 58 Ca 0.08 0.58 -0.05 0.00 -0.77 0.00 0.00 57.85 57.69 2pgj n ARG 58 Cb 0.40 -5.39 0.02 0.00 -1.02 0.00 0.00 32.46 26.47 2pgj n ARG 58 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2pgj h PHE 59 N -1.55 -0.51 -0.52 -1.55 3.57 -1.78 -0.74 116.94 113.86 2pgj h PHE 59 Ca -0.52 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.06 2pgj h PHE 59 Cb 1.34 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 40.34 2pgj h PHE 59 CO 0.61 -0.29 0.29 -1.35 -2.23 0.00 0.00 178.31 175.34 2pgj h PRO 60 N -0.11 0.55 -0.66 6.41 0.11 -1.90 -0.60 132.00 135.80 2pgj h PRO 60 Ca 0.22 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 2pgj h PRO 60 Cb 0.45 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 2pgj h PRO 60 CO -0.53 0.36 0.08 0.93 -0.21 0.00 0.00 178.00 178.64 2pgj h GLU 61 N 0.57 1.11 -0.19 1.05 3.07 -1.87 -1.66 114.58 116.66 2pgj h GLU 61 Ca 0.22 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 2pgj h GLU 61 Cb 0.07 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 2pgj h GLU 61 CO -0.12 1.03 0.04 1.15 -1.40 0.00 0.00 179.01 179.71 2pgj h THR 62 N 1.03 1.21 -0.20 1.13 2.02 -0.74 -0.13 112.91 117.24 2pgj h THR 62 Ca 0.20 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 2pgj h THR 62 Cb 0.48 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 2pgj h THR 62 CO 0.02 0.21 0.09 0.58 0.37 0.00 0.00 175.52 176.79 2pgj h VAL 63 N 0.12 1.14 -0.46 3.16 2.07 -1.07 -0.76 116.25 120.45 2pgj h VAL 63 Ca 0.06 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2pgj h VAL 63 Cb 0.28 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 2pgj h VAL 63 CO 0.00 0.13 0.24 0.25 0.02 0.00 0.00 177.57 178.22 2pgj h LEU 64 N 0.18 0.36 -0.34 2.57 5.85 -1.26 -1.25 115.31 121.43 2pgj h LEU 64 Ca 0.07 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2pgj h LEU 64 Cb 0.13 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2pgj h LEU 64 CO -0.01 0.26 0.12 0.00 -0.34 0.00 0.00 178.44 178.46 2pgj h ALA 65 N 1.23 0.44 -0.80 1.25 0.00 -0.83 -1.47 119.26 119.08 2pgj h ALA 65 Ca 0.19 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2pgj h ALA 65 Cb 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 2pgj h ALA 65 CO -0.12 0.06 0.53 0.00 0.00 0.00 0.00 179.25 179.71 2pgj h ARG 66 N 0.39 0.98 -0.23 0.00 3.08 -0.90 -0.00 114.38 117.70 2pgj h ARG 66 Ca 0.11 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2pgj h ARG 66 Cb 0.22 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2pgj h ARG 66 CO -0.01 0.65 -0.06 0.00 -1.07 0.00 0.00 179.97 179.49 2pgj h VAL 68 N 0.18 0.87 -0.15 0.00 2.07 -0.89 -1.23 116.25 117.09 2pgj h VAL 68 Ca 0.06 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 2pgj h VAL 68 Cb 0.52 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2pgj h VAL 68 CO 0.02 0.04 0.09 0.50 0.02 0.00 0.00 177.57 178.24 2pgj h LYS 69 N 0.20 0.21 -0.35 1.57 1.63 -0.85 -1.38 116.57 117.59 2pgj h LYS 69 Ca 0.14 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.95 2pgj h LYS 69 Cb 0.14 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 2pgj h LYS 69 CO -0.17 0.19 0.15 -0.92 -3.45 0.00 0.00 179.45 175.26 2pgj h TYR 70 N 0.17 0.28 0.00 1.91 3.20 -0.69 -2.35 116.97 119.49 2pgj h TYR 70 Ca 0.05 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 2pgj h TYR 70 Cb 0.04 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 2pgj h TYR 70 CO -0.05 0.14 -0.16 1.79 -1.64 0.00 0.00 178.16 178.24 2pgj h THR 71 N 0.33 0.37 -0.10 1.81 1.35 -1.06 -0.04 112.91 115.57 2pgj h THR 71 Ca 0.15 -0.99 -0.24 0.00 -0.55 0.00 0.00 66.41 64.79 2pgj h THR 71 Cb 0.09 1.74 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 2pgj h THR 71 CO -0.13 0.15 -0.87 -0.33 -0.25 0.00 0.00 175.52 174.09 2pgj h GLU 72 N 0.00 0.76 0.12 4.72 5.08 -0.98 -3.35 114.58 120.93 2pgj h GLU 72 Ca -0.00 -0.68 -0.18 0.00 -1.00 0.00 0.00 59.36 57.50 2pgj h GLU 72 Cb 0.73 0.16 0.02 0.00 0.50 0.00 0.00 28.75 30.16 2pgj h GLU 72 CO 0.02 1.28 -0.78 0.82 -1.00 0.00 0.00 179.01 179.35 2pgj h ILE 73 N 0.49 1.51 -3.48 3.13 1.08 -1.12 -3.44 117.51 115.68 2pgj h ILE 73 Ca -0.08 -2.47 -0.69 0.00 -0.39 0.00 0.00 64.86 61.22 2pgj h ILE 73 Cb 1.51 3.13 -0.19 0.00 -3.07 0.00 0.00 36.82 38.20 2pgj h ILE 73 CO 0.18 0.70 -0.16 -1.00 -0.69 0.00 0.00 178.15 177.18 2pgj s HIS 74 N -2.54 3.15 0.42 1.37 3.76 -0.06 -4.96 115.29 116.44 2pgj s HIS 74 Ca -0.14 -0.43 0.09 0.00 -0.15 0.00 0.00 55.06 54.44 2pgj s HIS 74 Cb 0.01 -3.04 0.92 0.00 1.11 0.00 0.00 32.58 31.58 2pgj s HIS 74 CO 0.83 -0.77 2.04 -1.00 -0.85 0.00 0.00 174.74 174.99 2pgj h PRO 75 N 8.78 0.37 0.00 8.40 0.13 -1.85 -1.95 132.00 145.88 2pgj h PRO 75 Ca -0.27 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2pgj h PRO 75 Cb 1.11 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2pgj h PRO 75 CO 0.83 0.30 0.00 -0.85 -0.23 0.00 0.00 178.00 178.05 2pgj n GLU 76 N -4.44 0.16 -0.23 0.86 0.00 -1.26 -2.03 120.64 113.70 2pgj n GLU 76 Ca 0.01 0.33 0.06 0.00 0.00 0.00 0.00 57.16 57.57 2pgj n GLU 76 Cb 0.12 -1.78 0.18 0.00 0.00 0.00 0.00 31.44 29.96 2pgj n GLU 76 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2pgj n MET 77 N -2.08 2.90 0.17 3.44 2.81 -0.74 -4.72 117.12 118.91 2pgj n MET 77 Ca 0.03 -2.21 0.12 0.00 -1.81 0.00 0.00 57.70 53.83 2pgj n MET 77 Cb 0.26 -1.37 0.62 0.00 -0.71 0.00 0.00 33.22 32.02 2pgj n MET 77 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2pgj h ARG 78 N 2.21 0.00 0.00 0.03 2.43 -1.31 -2.33 114.38 115.41 2pgj h ARG 78 Ca 0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2pgj h ARG 78 Cb 0.85 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2pgj h ARG 78 CO 0.03 0.00 -2.01 -2.39 -1.51 0.00 0.00 179.97 174.10 2pgj n HIS 79 N -2.33 0.00 -1.56 2.20 1.44 -1.26 -4.97 115.22 108.73 2pgj n HIS 79 Ca -0.01 0.00 -0.50 0.00 -2.01 0.00 0.00 57.72 55.20 2pgj n HIS 79 Cb 0.07 -0.54 -0.05 0.00 0.12 0.00 0.00 29.99 29.59 2pgj n HIS 79 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2pgj n VAL 80 N -2.29 0.75 -3.08 0.61 0.31 -0.88 -4.92 118.33 108.83 2pgj n VAL 80 Ca -0.08 -0.19 -0.43 0.00 -0.01 0.00 0.00 64.34 63.63 2pgj n VAL 80 Cb 0.63 -0.73 -0.06 0.00 -0.91 0.00 0.00 33.84 32.77 2pgj n VAL 80 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2pgj s ASP 81 N 0.02 6.29 0.40 4.52 3.68 -1.26 -4.94 116.67 125.37 2pgj s ASP 81 Ca 0.76 -0.53 0.17 0.00 2.13 0.00 0.00 52.55 55.08 2pgj s ASP 81 Cb -0.90 -2.33 0.83 0.00 -1.45 0.00 0.00 42.92 39.06 2pgj s ASP 81 CO 0.52 -0.90 1.83 0.00 0.13 0.00 0.00 175.17 176.76 2pgj h GLN 83 N 0.00 0.85 -0.82 0.00 5.75 -1.95 -0.89 115.11 118.06 2pgj h GLN 83 Ca -0.00 -0.13 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2pgj h GLN 83 Cb 0.70 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 2pgj h GLN 83 CO 0.04 0.70 0.44 0.77 -2.65 0.00 0.00 178.83 178.14 2pgj h SER 84 N 0.80 1.02 -0.10 -0.69 0.02 -1.75 0.24 113.55 113.10 2pgj h SER 84 Ca 0.20 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2pgj h SER 84 Cb 0.13 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 2pgj h SER 84 CO -0.02 0.83 0.06 0.58 -1.14 0.00 0.00 176.83 177.14 2pgj h VAL 85 N 1.14 1.07 -0.55 2.27 2.07 -1.14 -0.47 116.25 120.65 2pgj h VAL 85 Ca 0.29 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.62 2pgj h VAL 85 Cb 0.04 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2pgj h VAL 85 CO -0.05 0.07 0.36 -0.25 0.02 0.00 0.00 177.57 177.72 2pgj h TRP 86 N 0.09 0.67 -0.71 1.57 2.91 -0.90 0.31 115.95 119.89 2pgj h TRP 86 Ca 0.04 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.12 2pgj h TRP 86 Cb 0.05 -0.23 -0.05 0.00 -0.51 0.00 0.00 29.16 28.43 2pgj h TRP 86 CO -0.05 0.41 0.43 -0.44 -1.03 0.00 0.00 178.44 177.76 2pgj h ASP 87 N 0.72 0.66 -0.48 2.65 3.32 -0.66 0.39 116.42 123.03 2pgj h ASP 87 Ca 0.21 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.16 2pgj h ASP 87 Cb -0.06 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 2pgj h ASP 87 CO -0.06 0.44 -0.15 0.00 -1.72 0.00 0.00 179.24 177.75 2pgj h ALA 88 N 1.34 0.78 0.22 3.45 0.00 -0.76 -1.53 119.26 122.76 2pgj h ALA 88 Ca 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2pgj h ALA 88 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2pgj h ALA 88 CO -0.15 0.66 -0.11 0.35 0.00 0.00 0.00 179.25 180.00 2pgj h PHE 89 N 0.85 -0.28 -0.45 0.00 3.04 -0.33 -2.81 116.94 116.97 2pgj h PHE 89 Ca 0.13 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.16 2pgj h PHE 89 Cb 0.71 0.09 -0.08 0.00 2.56 0.00 0.00 35.95 39.23 2pgj h PHE 89 CO 0.05 -0.07 -0.11 0.87 -2.02 0.00 0.00 178.31 177.03 2pgj h LYS 90 N -0.44 0.00 -0.36 1.11 1.57 -0.95 -2.01 116.57 115.49 2pgj h LYS 90 Ca -0.03 -0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.85 2pgj h LYS 90 Cb 0.33 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2pgj h LYS 90 CO 0.05 0.00 0.34 0.78 -0.57 0.00 0.00 179.45 180.06 2pgj h GLY 91 N 0.00 0.00 1.98 3.86 0.00 -1.09 0.24 103.07 108.07 2pgj h GLY 91 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.47 2pgj h GLY 91 CO -0.46 0.00 -0.36 0.00 0.00 0.00 0.00 176.54 175.72 2pgj h ALA 92 N 1.66 1.38 0.00 3.60 0.00 -1.11 -3.40 119.26 121.39 2pgj h ALA 92 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2pgj h ALA 92 Cb 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2pgj h ALA 92 CO -0.00 0.46 -0.26 1.97 0.00 0.00 0.00 179.25 181.42 2pgj n PHE 93 N -4.10 0.00 -2.13 0.00 1.16 -0.64 -4.79 117.46 106.96 2pgj n PHE 93 Ca -0.02 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.15 2pgj n PHE 93 Cb 0.40 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.25 2pgj n PHE 93 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2pgj s ILE 94 N -0.58 2.84 0.00 1.97 -1.09 -0.02 -2.59 121.20 121.73 2pgj s ILE 94 Ca 0.00 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 2pgj s ILE 94 Cb 0.00 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 2pgj s ILE 94 CO 0.00 0.15 0.00 -1.20 -1.23 0.00 0.00 174.94 172.66 2pgj n SER 95 N 1.63 -3.89 -4.61 3.58 7.64 -1.10 -4.91 113.62 111.97 2pgj n SER 95 Ca 0.03 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.60 2pgj n SER 95 Cb 0.42 -1.93 -0.10 0.00 -1.01 0.00 0.00 64.21 61.59 2pgj n SER 95 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2pgj s LYS 96 N -0.95 2.42 0.08 1.43 1.02 -1.07 -2.93 119.74 119.75 2pgj s LYS 96 Ca 0.00 -0.83 -0.31 0.00 0.02 0.00 0.00 55.97 54.85 2pgj s LYS 96 Cb 0.00 -2.45 -0.08 0.00 -0.52 0.00 0.00 37.83 34.78 2pgj s LYS 96 CO 0.00 0.56 1.62 -1.58 -0.92 0.00 0.00 175.35 175.03 2pgj s HIS 97 N -1.12 2.57 -2.00 3.18 5.65 -1.26 -3.49 115.29 118.82 2pgj s HIS 97 Ca 0.20 0.42 0.16 0.00 0.25 0.00 0.00 55.06 56.08 2pgj s HIS 97 Cb -0.11 -3.93 0.94 0.00 -1.18 0.00 0.00 32.58 28.30 2pgj s HIS 97 CO 0.11 -3.66 1.42 -0.35 -0.65 0.00 0.00 174.74 171.61 2pgj n PRO 98 N 5.28 0.71 -0.38 2.88 -0.04 -1.26 -1.10 135.00 141.10 2pgj n PRO 98 Ca 0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.69 2pgj n PRO 98 Cb 0.40 -1.34 0.23 0.00 -0.04 0.00 0.00 33.50 32.75 2pgj n PRO 98 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pgj n ASP 100 N 0.02 2.10 -4.84 0.00 4.64 -0.26 -4.65 116.55 113.57 2pgj n ASP 100 Ca 0.18 -2.51 -0.36 0.00 -1.38 0.00 0.00 54.79 50.72 2pgj n ASP 100 Cb 0.74 -0.42 -0.06 0.00 -1.04 0.00 0.00 41.12 40.34 2pgj n ASP 100 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2pgj s ILE 101 N -3.06 4.90 0.25 5.18 -1.09 -0.81 -4.84 121.20 121.73 2pgj s ILE 101 Ca 0.34 0.85 0.06 0.00 -2.23 0.00 0.00 60.65 59.68 2pgj s ILE 101 Cb 0.36 -3.75 -0.05 0.00 -1.58 0.00 0.00 42.46 37.43 2pgj s ILE 101 CO -0.06 0.37 -0.06 0.42 -1.23 0.00 0.00 174.94 174.38 2pgj s THR 102 N -1.32 1.52 0.39 2.92 -4.23 -1.26 -4.75 115.64 108.91 2pgj s THR 102 Ca 0.33 -2.12 0.08 0.00 -1.18 0.00 0.00 61.69 58.80 2pgj s THR 102 Cb -0.16 -2.34 0.20 0.00 1.34 0.00 0.00 72.50 71.53 2pgj s THR 102 CO 0.18 -0.37 1.96 -0.33 -0.54 0.00 0.00 174.62 175.52 2pgj h GLU 103 N 2.38 0.38 -0.75 3.99 5.08 -1.98 -1.89 114.58 121.79 2pgj h GLU 103 Ca -0.39 -0.06 0.11 0.00 -1.00 0.00 0.00 59.36 58.01 2pgj h GLU 103 Cb 1.23 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 2pgj h GLU 103 CO 0.66 0.39 0.49 0.93 -1.00 0.00 0.00 179.01 180.48 2pgj h GLU 104 N 0.38 0.59 -0.75 2.33 3.07 -1.99 -1.27 114.58 116.94 2pgj h GLU 104 Ca 0.09 -0.04 0.11 0.00 -0.50 0.00 0.00 59.36 59.02 2pgj h GLU 104 Cb 0.21 -0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 27.94 2pgj h GLU 104 CO 0.00 0.39 0.49 -0.44 -1.40 0.00 0.00 179.01 178.06 2pgj h ASP 105 N 0.61 0.56 -0.12 1.42 3.32 -1.67 -2.16 116.42 118.38 2pgj h ASP 105 Ca 0.35 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2pgj h ASP 105 Cb 0.54 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2pgj h ASP 105 CO -0.13 0.32 0.00 -1.22 -1.72 0.00 0.00 179.24 176.50 2pgj n TYR 106 N -4.50 0.14 -0.23 4.55 4.02 -0.48 -4.02 117.16 116.63 2pgj n TYR 106 Ca 0.13 -0.07 -0.07 0.00 -0.01 0.00 0.00 57.90 57.88 2pgj n TYR 106 Cb 0.37 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.73 2pgj n TYR 106 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 2pgj h GLN 107 N 2.61 0.97 -0.69 -0.72 1.08 -1.35 0.13 115.11 117.14 2pgj h GLN 107 Ca 0.00 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.08 2pgj h GLN 107 Cb 0.56 -0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.78 2pgj h GLN 107 CO 0.00 0.81 0.39 -1.35 -0.95 0.00 0.00 178.83 177.73 2pgj h PRO 108 N 0.91 0.70 -0.48 1.46 0.11 -1.79 0.42 132.00 133.33 2pgj h PRO 108 Ca 0.22 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 2pgj h PRO 108 Cb 0.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.13 2pgj h PRO 108 CO -0.02 0.47 0.16 1.25 -0.21 0.00 0.00 178.00 179.64 2pgj h LEU 109 N 0.72 0.70 -0.63 2.35 5.85 -1.67 -2.11 115.31 120.52 2pgj h LEU 109 Ca 0.31 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.87 2pgj h LEU 109 Cb 0.18 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2pgj h LEU 109 CO -0.18 0.72 0.36 0.24 -0.34 0.00 0.00 178.44 179.25 2pgj h MET 110 N 0.65 0.67 0.18 1.25 2.86 -0.26 0.47 114.93 120.75 2pgj h MET 110 Ca 0.16 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2pgj h MET 110 Cb 0.26 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2pgj h MET 110 CO -0.01 0.45 -0.09 -0.22 1.06 0.00 0.00 176.91 178.10 2pgj h LYS 111 N 0.69 -0.24 0.00 1.72 3.64 -0.73 -2.10 116.57 119.56 2pgj h LYS 111 Ca 0.27 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2pgj h LYS 111 Cb 0.11 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2pgj h LYS 111 CO -0.14 -0.14 -0.18 -0.07 -2.27 0.00 0.00 179.45 176.64 2pgj h LEU 112 N -0.26 0.00 -0.98 5.20 3.38 -1.05 -2.13 115.31 119.47 2pgj h LEU 112 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pgj h LEU 112 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2pgj h LEU 112 CO 0.04 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.36 2pgj n GLY 113 N -1.02 0.20 3.66 0.83 0.00 0.13 -4.95 105.19 104.05 2pgj n GLY 113 Ca -0.02 -0.33 -0.55 0.00 0.00 0.00 0.00 46.02 45.12 2pgj n GLY 113 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pgj n THR 114 N 0.23 0.19 -3.68 2.61 -1.04 -0.80 -4.78 114.28 107.02 2pgj n THR 114 Ca 0.12 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 62.01 2pgj n THR 114 Cb 0.25 -1.11 -0.09 0.00 -1.82 0.00 0.00 70.33 67.56 2pgj n THR 114 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2pgj s GLN 115 N 2.32 0.49 0.01 -2.82 0.74 -1.26 -5.08 119.66 114.06 2pgj s GLN 115 Ca 0.92 0.95 -0.30 0.00 0.05 0.00 0.00 55.36 56.98 2pgj s GLN 115 Cb -1.00 0.06 -0.04 0.00 1.10 0.00 0.00 33.01 33.14 2pgj s GLN 115 CO 0.57 -0.16 1.10 0.99 -0.55 0.00 0.00 175.29 177.24 2pgj s THR 116 N 1.57 4.44 -0.05 -0.34 2.01 -1.26 -5.05 115.64 116.96 2pgj s THR 116 Ca -0.09 1.75 0.06 0.00 0.31 0.00 0.00 61.69 63.72 2pgj s THR 116 Cb -0.08 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.30 2pgj s THR 116 CO -0.15 0.11 -0.22 0.68 -0.69 0.00 0.00 174.62 174.34 2pgj s VAL 117 N 1.28 1.83 -0.34 3.82 -7.23 -1.26 -5.07 120.40 113.44 2pgj s VAL 117 Ca 0.55 -0.95 -0.31 0.00 -1.81 0.00 0.00 61.98 59.46 2pgj s VAL 117 Cb -0.25 -1.55 -0.09 0.00 0.56 0.00 0.00 36.38 35.05 2pgj s VAL 117 CO 0.27 0.51 2.25 -2.65 -0.31 0.00 0.00 175.10 175.17 2pgj n PRO 118 N 2.96 1.38 0.25 4.82 -0.02 -1.26 -4.79 135.00 138.34 2pgj n PRO 118 Ca -0.17 0.34 0.10 0.00 -2.02 0.00 0.00 63.50 61.74 2pgj n PRO 118 Cb 0.52 -2.85 0.65 0.00 -0.02 0.00 0.00 33.50 31.81 2pgj n PRO 118 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pgj n ASN 120 N -4.01 1.90 -1.27 0.00 6.94 -1.26 -1.00 115.26 116.56 2pgj n ASN 120 Ca -0.02 -1.80 -0.00 0.00 -0.02 0.00 0.00 54.58 52.73 2pgj n ASN 120 Cb 0.21 -0.15 0.12 0.00 -2.36 0.00 0.00 39.78 37.59 2pgj n ASN 120 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2pgj n LYS 121 N 0.49 1.57 -3.05 -3.83 5.02 -0.82 -4.62 118.16 112.92 2pgj n LYS 121 Ca 0.16 -3.16 -0.39 0.00 -2.02 0.00 0.00 58.31 52.90 2pgj n LYS 121 Cb 0.35 -1.34 -0.05 0.00 -0.02 0.00 0.00 35.03 33.97 2pgj n LYS 121 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2pgj s ILE 122 N -2.73 4.70 -0.24 -0.18 1.01 -1.26 -0.77 121.20 121.74 2pgj s ILE 122 Ca 0.38 1.53 0.00 0.00 0.00 0.00 0.00 60.65 62.57 2pgj s ILE 122 Cb 0.38 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.82 2pgj s ILE 122 CO -0.07 0.42 -0.10 -0.22 0.00 0.00 0.00 174.94 174.96 2pgj s LEU 123 N -0.36 3.04 0.43 2.97 2.96 -0.03 -2.20 118.68 125.49 2pgj s LEU 123 Ca 0.36 -0.96 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 2pgj s LEU 123 Cb -0.20 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 2pgj s LEU 123 CO 0.22 -0.12 0.64 -0.76 -1.32 0.00 0.00 176.35 175.01 2pgj s LEU 124 N 1.26 3.69 0.14 -0.68 1.43 0.84 -4.19 118.68 121.17 2pgj s LEU 124 Ca -0.01 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.10 2pgj s LEU 124 Cb -0.17 -3.08 0.04 0.00 0.03 0.00 0.00 46.19 43.02 2pgj s LEU 124 CO -0.06 -0.67 0.46 -1.66 0.23 0.00 0.00 176.35 174.65 2pgj s TRP 125 N -2.50 -0.29 -0.11 0.29 1.48 -1.26 -1.27 118.94 115.28 2pgj s TRP 125 Ca 0.48 -0.00 -0.04 0.00 -1.06 0.00 0.00 56.10 55.48 2pgj s TRP 125 Cb -0.10 0.35 0.06 0.00 -1.16 0.00 0.00 33.47 32.62 2pgj s TRP 125 CO 0.37 -0.76 0.19 0.45 -4.06 0.00 0.00 176.95 173.14 2pgj s SER 126 N -2.79 0.76 -1.70 -2.66 0.15 -0.54 -4.71 113.70 102.20 2pgj s SER 126 Ca 0.03 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2pgj s SER 126 Cb 0.01 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2pgj s SER 126 CO -0.12 -0.25 0.00 0.54 1.20 0.00 0.00 173.24 174.61 2pgj n ARG 127 N 5.33 -1.23 -2.71 5.44 3.00 -1.26 -3.38 116.66 121.85 2pgj n ARG 127 Ca -0.05 1.02 -0.05 0.00 -0.01 0.00 0.00 57.85 58.75 2pgj n ARG 127 Cb 0.50 -5.30 0.08 0.00 0.00 0.00 0.00 32.46 27.74 2pgj n ARG 127 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 2pgj n ILE 128 N -2.95 0.56 0.14 0.55 0.13 -1.26 -4.71 119.36 111.82 2pgj n ILE 128 Ca -0.18 -2.17 -0.01 0.00 -1.10 0.00 0.00 62.75 59.29 2pgj n ILE 128 Cb 0.58 0.96 0.20 0.00 -0.84 0.00 0.00 39.64 40.54 2pgj n ILE 128 CO 0.00 0.00 0.00 0.07 2.80 0.00 0.00 176.55 179.42 2pgj h LYS 129 N 2.24 0.02 -0.18 9.51 2.10 -1.95 -2.89 116.57 125.41 2pgj h LYS 129 Ca -0.23 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.40 2pgj h LYS 129 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 2pgj h LYS 129 CO 0.13 0.58 0.08 -0.44 -2.00 0.00 0.00 179.45 177.81 2pgj h ASP 130 N 0.01 0.24 -0.63 7.07 3.32 -1.99 0.12 116.42 124.57 2pgj h ASP 130 Ca -0.01 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2pgj h ASP 130 Cb 1.02 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 2pgj h ASP 130 CO 0.08 0.31 0.24 0.25 -1.72 0.00 0.00 179.24 178.40 2pgj h LEU 131 N 0.16 0.88 -0.80 1.55 6.46 -1.98 0.01 115.31 121.58 2pgj h LEU 131 Ca 0.06 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.70 2pgj h LEU 131 Cb 0.13 -0.23 -0.06 0.00 -0.73 0.00 0.00 40.66 39.78 2pgj h LEU 131 CO -0.01 0.82 0.49 0.00 -0.62 0.00 0.00 178.44 179.12 2pgj h ALA 132 N 1.09 1.10 -0.10 1.25 0.00 -1.24 0.19 119.26 121.56 2pgj h ALA 132 Ca 0.21 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 2pgj h ALA 132 Cb 0.23 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2pgj h ALA 132 CO -0.01 0.22 -0.65 0.45 0.00 0.00 0.00 179.25 179.25 2pgj h HIS 133 N 0.89 0.85 -0.83 0.00 3.86 -0.74 -2.26 115.15 116.92 2pgj h HIS 133 Ca 0.35 -0.39 0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2pgj h HIS 133 Cb 0.17 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 2pgj h HIS 133 CO -0.04 1.20 0.55 1.96 0.86 0.00 0.00 177.93 182.45 2pgj h GLN 134 N 0.26 1.08 0.11 2.45 4.20 -0.67 -1.98 115.11 120.56 2pgj h GLN 134 Ca -0.05 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2pgj h GLN 134 Cb 1.30 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.84 2pgj h GLN 134 CO 0.13 0.72 -0.06 0.35 -0.67 0.00 0.00 178.83 179.30 2pgj h PHE 135 N 1.12 -0.14 0.00 2.96 3.04 -0.85 -3.14 116.94 119.92 2pgj h PHE 135 Ca 0.31 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.20 2pgj h PHE 135 Cb -0.12 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 2pgj h PHE 135 CO -0.00 0.09 -0.25 1.79 -2.02 0.00 0.00 178.31 177.92 2pgj h THR 136 N -0.37 0.69 0.00 4.41 1.35 -1.21 -2.90 112.91 114.89 2pgj h THR 136 Ca -0.02 -1.08 -0.00 0.00 -0.55 0.00 0.00 66.41 64.76 2pgj h THR 136 Cb 0.30 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2pgj h THR 136 CO 0.03 0.24 -0.01 1.56 -0.25 0.00 0.00 175.52 177.09 2pgj h GLN 137 N 0.00 0.00 0.22 4.72 4.20 -1.32 -1.17 115.11 121.77 2pgj h GLN 137 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2pgj h GLN 137 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2pgj h GLN 137 CO 0.03 0.01 -0.11 0.28 -0.67 0.00 0.00 178.83 178.37 2pgj h VAL 138 N 0.00 0.84 0.00 -0.54 2.07 -1.53 -3.41 116.25 113.68 2pgj h VAL 138 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2pgj h VAL 138 Cb 0.46 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2pgj h VAL 138 CO 0.00 0.08 -0.14 0.00 0.02 0.00 0.00 177.57 177.53 2pgj n GLN 139 N -5.14 0.00 -3.62 1.57 10.64 -1.25 -5.03 117.38 114.54 2pgj n GLN 139 Ca -0.09 -0.28 -0.22 0.00 -1.83 0.00 0.00 57.00 54.58 2pgj n GLN 139 Cb 0.20 -0.14 0.06 0.00 -0.86 0.00 0.00 30.24 29.50 2pgj n GLN 139 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2pgj n ARG 140 N 0.00 -6.51 0.02 2.61 1.74 -0.44 -4.86 116.66 109.22 2pgj n ARG 140 Ca 0.00 0.75 -0.03 0.00 -0.77 0.00 0.00 57.85 57.80 2pgj n ARG 140 Cb 0.56 -5.67 0.20 0.00 -1.02 0.00 0.00 32.46 26.53 2pgj n ARG 140 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2pgj h ASP 141 N -2.17 0.47 -5.69 0.55 3.32 -1.85 -3.45 116.42 107.58 2pgj h ASP 141 Ca -0.59 -0.16 -0.32 0.00 0.02 0.00 0.00 57.03 55.99 2pgj h ASP 141 Cb 1.36 -0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 2pgj h ASP 141 CO 0.56 0.72 -0.56 -0.04 -1.72 0.00 0.00 179.24 178.20 2pgj s MET 142 N -4.48 1.41 -0.06 3.56 -1.94 -1.26 -4.91 119.30 111.61 2pgj s MET 142 Ca -0.07 -1.76 0.02 0.00 -1.71 0.00 0.00 55.69 52.17 2pgj s MET 142 Cb 0.14 0.30 0.02 0.00 2.01 0.00 0.00 34.83 37.29 2pgj s MET 142 CO 0.79 -0.49 -0.10 -0.06 -0.01 0.00 0.00 175.02 175.15 2pgj s PHE 143 N -3.89 1.25 0.50 -0.03 0.08 0.05 -4.76 117.98 111.19 2pgj s PHE 143 Ca 0.39 -0.46 0.08 0.00 0.12 0.00 0.00 56.93 57.06 2pgj s PHE 143 Cb 0.05 -0.97 0.05 0.00 -0.57 0.00 0.00 43.02 41.58 2pgj s PHE 143 CO 0.18 -0.27 0.69 0.95 -0.10 0.00 0.00 175.22 176.67 2pgj s THR 144 N 0.83 2.60 0.52 0.64 -4.23 -1.26 -0.85 115.64 113.90 2pgj s THR 144 Ca -0.12 -0.95 0.17 0.00 -1.18 0.00 0.00 61.69 59.61 2pgj s THR 144 Cb -0.15 -2.65 0.27 0.00 1.34 0.00 0.00 72.50 71.31 2pgj s THR 144 CO 0.02 0.00 2.15 0.25 -0.54 0.00 0.00 174.62 176.50 2pgj h LEU 145 N 0.36 0.00 0.00 4.79 5.85 -1.98 -0.57 115.31 123.77 2pgj h LEU 145 Ca -0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 2pgj h LEU 145 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2pgj h LEU 145 CO 0.44 0.01 0.00 -0.62 -0.34 0.00 0.00 178.44 177.93 2pgj n GLU 146 N -4.44 0.28 0.00 1.25 4.71 -1.26 -1.92 120.64 119.26 2pgj n GLU 146 Ca -0.03 0.08 0.13 0.00 -0.01 0.00 0.00 57.16 57.33 2pgj n GLU 146 Cb 0.10 -1.50 0.39 0.00 -1.01 0.00 0.00 31.44 29.42 2pgj n GLU 146 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2pgj n ASP 147 N -1.31 0.67 -4.92 1.62 10.43 -0.22 -3.55 116.55 119.26 2pgj n ASP 147 Ca 0.10 -0.51 -0.26 0.00 2.57 0.00 0.00 54.79 56.69 2pgj n ASP 147 Cb 0.19 0.09 -0.02 0.00 1.84 0.00 0.00 41.12 43.22 2pgj n ASP 147 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2pgj s THR 148 N -2.71 5.06 0.16 -3.53 -4.23 -0.81 -4.94 115.64 104.64 2pgj s THR 148 Ca 0.20 -0.19 -0.18 0.00 -1.18 0.00 0.00 61.69 60.33 2pgj s THR 148 Cb 0.19 -3.80 0.07 0.00 1.34 0.00 0.00 72.50 70.30 2pgj s THR 148 CO 0.58 -0.47 1.67 0.25 -0.54 0.00 0.00 174.62 176.10 2pgj h LEU 149 N 1.14 -0.40 -0.38 4.79 5.85 -1.89 -0.59 115.31 123.83 2pgj h LEU 149 Ca -0.49 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.25 2pgj h LEU 149 Cb 1.20 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 2pgj h LEU 149 CO 0.64 -0.14 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.36 2pgj h LEU 150 N -0.03 0.79 -0.75 2.25 3.38 -1.87 -0.43 115.31 118.65 2pgj h LEU 150 Ca 0.17 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2pgj h LEU 150 Cb 0.30 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2pgj h LEU 150 CO -0.39 1.01 0.45 1.23 0.09 0.00 0.00 178.44 180.83 2pgj h GLY 151 N 0.57 1.10 0.98 0.83 0.00 -1.58 -2.77 103.07 102.20 2pgj h GLY 151 Ca 0.09 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2pgj h GLY 151 CO 0.05 0.45 0.23 -1.82 0.00 0.00 0.00 176.54 175.45 2pgj h TYR 152 N 1.03 0.82 -0.61 5.60 5.03 -0.78 -1.41 116.97 126.66 2pgj h TYR 152 Ca 0.27 -0.06 0.05 0.00 2.58 0.00 0.00 58.73 61.57 2pgj h TYR 152 Cb -0.02 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 37.96 2pgj h TYR 152 CO -0.01 0.66 0.33 -0.07 -1.32 0.00 0.00 178.16 177.75 2pgj h LEU 153 N 0.74 0.48 0.00 2.82 3.38 -0.89 -3.27 115.31 118.57 2pgj h LEU 153 Ca 0.18 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2pgj h LEU 153 Cb 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2pgj h LEU 153 CO -0.02 0.32 -1.11 0.00 0.09 0.00 0.00 178.44 177.72 2pgj n ALA 154 N -2.35 3.51 -1.64 1.53 0.00 -1.06 -4.80 120.51 115.71 2pgj n ALA 154 Ca 0.07 -0.44 -0.51 0.00 0.00 0.00 0.00 53.44 52.56 2pgj n ALA 154 Cb 0.16 -0.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.63 2pgj n ALA 154 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pgj n ASP 155 N -1.93 2.23 0.00 0.00 4.64 -0.55 -1.53 116.55 119.41 2pgj n ASP 155 Ca 0.02 1.09 0.00 0.00 -1.38 0.00 0.00 54.79 54.52 2pgj n ASP 155 Cb 0.44 -1.25 0.00 0.00 -1.04 0.00 0.00 41.12 39.27 2pgj n ASP 155 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2pgj n ASP 156 N 3.52 -3.92 -4.86 1.67 8.00 -1.26 -4.99 116.55 114.70 2pgj n ASP 156 Ca 0.20 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.46 2pgj n ASP 156 Cb 0.21 -1.97 -0.04 0.00 -0.02 0.00 0.00 41.12 39.30 2pgj n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pgj s LEU 157 N 0.00 3.99 0.01 0.64 1.43 -0.58 -5.05 118.68 119.12 2pgj s LEU 157 Ca 0.00 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 2pgj s LEU 157 Cb 0.00 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 2pgj s LEU 157 CO 0.00 0.02 -0.14 -0.89 0.23 0.00 0.00 176.35 175.57 2pgj s THR 158 N -1.89 1.07 -0.02 5.49 2.01 -1.26 -5.01 115.64 116.03 2pgj s THR 158 Ca 0.33 -0.73 -0.23 0.00 0.31 0.00 0.00 61.69 61.36 2pgj s THR 158 Cb -0.09 -0.92 0.05 0.00 0.01 0.00 0.00 72.50 71.54 2pgj s THR 158 CO 0.26 0.18 0.51 -1.66 -0.69 0.00 0.00 174.62 173.22 2pgj s TRP 159 N -0.52 -0.44 -0.01 4.92 -2.14 -1.26 -1.02 118.94 118.47 2pgj s TRP 159 Ca 0.04 0.69 -0.29 0.00 2.66 0.00 0.00 56.10 59.20 2pgj s TRP 159 Cb -0.06 0.28 0.10 0.00 -3.10 0.00 0.00 33.47 30.69 2pgj s TRP 159 CO 0.00 -0.53 0.89 0.00 -2.66 0.00 0.00 176.95 174.65 2pgj n GLY 161 N -0.20 6.03 3.07 0.00 0.00 -1.26 -1.25 105.19 111.58 2pgj n GLY 161 Ca -0.09 -1.99 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 2pgj n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pgj s GLU 162 N 1.67 0.60 0.28 1.61 2.02 -1.23 -4.50 118.70 119.15 2pgj s GLU 162 Ca 0.00 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.02 2pgj s GLU 162 Cb 0.00 -0.47 -0.10 0.00 0.10 0.00 0.00 34.13 33.66 2pgj s GLU 162 CO 0.00 0.10 1.41 0.12 0.02 0.00 0.00 175.26 176.91 2pgj s PHE 163 N -1.06 2.99 -1.93 1.61 5.36 -1.23 -3.22 117.98 120.51 2pgj s PHE 163 Ca -0.05 1.14 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 2pgj s PHE 163 Cb -0.08 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 2pgj s PHE 163 CO 0.01 -2.48 0.00 -0.25 -1.46 0.00 0.00 175.22 171.04 2pgj n ASP 164 N 1.76 -5.34 -3.94 6.13 8.00 -1.15 -4.93 116.55 117.08 2pgj n ASP 164 Ca 0.04 0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.76 2pgj n ASP 164 Cb 0.41 -4.63 -0.10 0.00 -0.02 0.00 0.00 41.12 36.78 2pgj n ASP 164 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2pgj s THR 165 N -2.78 0.12 -1.14 -3.53 -1.32 -1.23 -5.05 115.64 100.71 2pgj s THR 165 Ca 0.00 -1.02 0.12 0.00 -1.21 0.00 0.00 61.69 59.58 2pgj s THR 165 Cb 0.00 -0.69 0.51 0.00 -1.51 0.00 0.00 72.50 70.81 2pgj s THR 165 CO 0.00 -0.56 1.35 -1.54 -2.21 0.00 0.00 174.62 171.66 2pgj n SER 166 N 1.07 3.54 -4.77 8.08 3.41 -1.26 -2.69 113.62 121.00 2pgj n SER 166 Ca -0.21 -2.36 -0.40 0.00 -0.26 0.00 0.00 58.87 55.65 2pgj n SER 166 Cb 0.57 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 2pgj n SER 166 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2pgj s LYS 167 N -1.82 4.62 0.27 4.33 1.02 -1.26 -4.78 119.74 122.12 2pgj s LYS 167 Ca 0.35 1.22 -0.29 0.00 0.02 0.00 0.00 55.97 57.27 2pgj s LYS 167 Cb 0.23 -3.27 -0.09 0.00 -0.52 0.00 0.00 37.83 34.18 2pgj s LYS 167 CO 0.16 0.55 1.05 0.42 -0.92 0.00 0.00 175.35 176.61 2pgj s ILE 168 N -1.12 3.67 -0.56 2.17 1.01 -1.26 -3.57 121.20 121.54 2pgj s ILE 168 Ca 0.37 1.66 -0.19 0.00 0.00 0.00 0.00 60.65 62.49 2pgj s ILE 168 Cb -0.24 -4.05 0.09 0.00 0.01 0.00 0.00 42.46 38.27 2pgj s ILE 168 CO 0.27 0.38 0.67 0.21 0.00 0.00 0.00 174.94 176.47 2pgj s ASN 169 N -1.01 6.20 0.00 3.58 3.84 -0.38 -4.89 114.94 122.28 2pgj s ASN 169 Ca 0.44 -1.26 0.27 0.00 0.21 0.00 0.00 52.86 52.53 2pgj s ASN 169 Cb -0.30 -2.30 0.96 0.00 -0.55 0.00 0.00 41.25 39.07 2pgj s ASN 169 CO 0.38 -1.03 1.69 -1.22 -2.79 0.00 0.00 177.10 174.13 2pgj n TYR 170 N 6.25 0.00 -0.08 0.43 4.02 -1.26 -1.36 117.16 125.16 2pgj n TYR 170 Ca -0.09 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.58 2pgj n TYR 170 Cb 0.43 -0.05 -0.12 0.00 -0.02 0.00 0.00 39.34 39.59 2pgj n TYR 170 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2pgj n GLN 171 N -0.15 0.64 -3.52 -0.72 1.13 -1.26 -4.15 117.38 109.34 2pgj n GLN 171 Ca 0.17 0.37 -0.14 0.00 -1.94 0.00 0.00 57.00 55.46 2pgj n GLN 171 Cb 0.35 -1.66 -0.04 0.00 0.11 0.00 0.00 30.24 28.99 2pgj n GLN 171 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2pgj s SER 172 N -6.99 -0.50 0.06 1.08 1.04 -1.26 -3.70 113.70 103.44 2pgj s SER 172 Ca -0.29 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.31 2pgj s SER 172 Cb 0.08 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 2pgj s SER 172 CO 0.63 -0.80 -0.07 0.00 0.98 0.00 0.00 173.24 173.98 2pgj n PRO 174 N 0.85 2.62 -2.94 0.00 -0.02 -1.26 -1.19 135.00 133.06 2pgj n PRO 174 Ca -0.18 0.93 -0.40 0.00 -2.02 0.00 0.00 63.50 61.83 2pgj n PRO 174 Cb 0.57 -2.71 -0.05 0.00 -0.02 0.00 0.00 33.50 31.29 2pgj n PRO 174 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2pgj s ASP 175 N 0.55 7.27 0.32 2.55 -1.08 -1.26 -4.70 116.67 120.31 2pgj s ASP 175 Ca 0.66 1.51 0.04 0.00 -0.52 0.00 0.00 52.55 54.25 2pgj s ASP 175 Cb -0.52 -2.49 0.66 0.00 -1.46 0.00 0.00 42.92 39.12 2pgj s ASP 175 CO 0.47 0.01 1.87 -0.25 0.52 0.00 0.00 175.17 177.79 2pgj h TRP 176 N 5.59 0.98 0.00 -5.34 7.01 -1.94 -0.27 115.95 121.98 2pgj h TRP 176 Ca -0.44 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.55 2pgj h TRP 176 Cb 1.21 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.95 2pgj h TRP 176 CO 0.65 0.41 -0.29 -0.09 -2.79 0.00 0.00 178.44 176.33 2pgj h ARG 177 N 0.87 0.00 0.03 2.65 2.43 -1.93 -3.27 114.38 115.15 2pgj h ARG 177 Ca 0.45 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.39 2pgj h ARG 177 Cb 0.52 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 2pgj h ARG 177 CO -0.21 0.65 -1.14 0.87 -1.51 0.00 0.00 179.97 178.63 2pgj h LYS 178 N -1.00 0.06 0.00 0.20 1.57 -1.97 -3.43 116.57 111.99 2pgj h LYS 178 Ca -0.07 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2pgj h LYS 178 Cb 0.76 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2pgj h LYS 178 CO -0.04 0.99 -0.13 -0.25 -0.57 0.00 0.00 179.45 179.45 2pgj n ASP 179 N -3.35 0.34 -3.61 0.86 8.00 -0.18 -4.99 116.55 113.62 2pgj n ASP 179 Ca -0.04 0.05 -0.11 0.00 0.71 0.00 0.00 54.79 55.41 2pgj n ASP 179 Cb 0.97 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 41.65 2pgj n ASP 179 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pgj h SER 181 N 3.57 0.00 -0.77 0.00 4.64 -1.83 -3.33 113.55 115.83 2pgj h SER 181 Ca -0.25 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.62 2pgj h SER 181 Cb 1.17 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.12 2pgj h SER 181 CO 0.20 0.34 0.51 0.59 -0.87 0.00 0.00 176.83 177.60 2pgj n ASN 182 N -3.17 6.39 -4.98 4.97 3.02 -1.26 -4.44 115.26 115.80 2pgj n ASN 182 Ca 0.02 -2.99 -0.20 0.00 -0.03 0.00 0.00 54.58 51.38 2pgj n ASN 182 Cb 0.67 -1.30 -0.01 0.00 -0.61 0.00 0.00 39.78 38.53 2pgj n ASN 182 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2pgj s ASN 183 N 0.84 6.11 0.26 6.41 4.22 -1.25 -1.92 114.94 129.61 2pgj s ASN 183 Ca 0.61 -0.06 -0.01 0.00 -2.14 0.00 0.00 52.86 51.26 2pgj s ASN 183 Cb 0.34 -1.50 0.48 0.00 1.28 0.00 0.00 41.25 41.85 2pgj s ASN 183 CO -0.15 -0.30 1.82 -0.65 -2.04 0.00 0.00 177.10 175.78 2pgj h PRO 184 N 0.98 0.86 -0.01 3.55 0.11 -1.81 -1.24 132.00 134.43 2pgj h PRO 184 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 2pgj h PRO 184 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pgj h PRO 184 CO 0.56 0.57 -0.04 0.28 -0.21 0.00 0.00 178.00 179.16 2pgj h VAL 185 N 0.88 1.54 -0.83 3.15 2.07 -1.95 -2.46 116.25 118.65 2pgj h VAL 185 Ca 0.45 -1.65 0.03 0.00 0.82 0.00 0.00 66.70 66.35 2pgj h VAL 185 Cb 0.44 2.63 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 2pgj h VAL 185 CO -0.26 0.43 0.53 0.28 0.02 0.00 0.00 177.57 178.57 2pgj h SER 186 N -0.63 0.88 -0.11 0.57 0.02 -1.82 -1.92 113.55 110.55 2pgj h SER 186 Ca -0.00 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 2pgj h SER 186 Cb 0.73 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2pgj h SER 186 CO 0.01 0.60 -0.52 0.58 -1.14 0.00 0.00 176.83 176.36 2pgj h VAL 187 N 1.03 1.30 0.05 2.27 2.07 -1.29 -2.04 116.25 119.63 2pgj h VAL 187 Ca 0.33 -1.74 0.02 0.00 0.82 0.00 0.00 66.70 66.13 2pgj h VAL 187 Cb 0.02 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 2pgj h VAL 187 CO -0.12 0.55 -0.14 0.15 0.02 0.00 0.00 177.57 178.04 2pgj h PHE 188 N 0.54 -0.36 -0.27 1.57 3.57 -1.15 -1.51 116.94 119.33 2pgj h PHE 188 Ca 0.02 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2pgj h PHE 188 Cb 1.09 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 2pgj h PHE 188 CO 0.05 -0.21 -0.28 -1.49 -2.23 0.00 0.00 178.31 174.16 2pgj h TRP 189 N -0.26 0.60 -0.60 0.41 4.06 -1.24 -1.15 115.95 117.78 2pgj h TRP 189 Ca 0.03 -0.14 -0.06 0.00 2.06 0.00 0.00 58.89 60.79 2pgj h TRP 189 Cb 0.29 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 2pgj h TRP 189 CO -0.17 0.76 0.15 -0.22 -3.56 0.00 0.00 178.44 175.39 2pgj h LYS 190 N 0.46 0.95 0.07 0.49 3.64 -1.21 -0.39 116.57 120.58 2pgj h LYS 190 Ca 0.06 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2pgj h LYS 190 Cb 0.72 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2pgj h LYS 190 CO 0.06 0.87 -0.03 1.15 -2.27 0.00 0.00 179.45 179.22 2pgj h THR 191 N 0.86 1.09 -0.20 1.00 2.02 -0.83 -1.43 112.91 115.42 2pgj h THR 191 Ca 0.19 -0.55 -0.12 0.00 0.77 0.00 0.00 66.41 66.70 2pgj h THR 191 Cb 0.34 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 2pgj h THR 191 CO 0.00 0.14 -0.40 -0.37 0.37 0.00 0.00 175.52 175.25 2pgj h VAL 192 N -0.34 1.30 -0.32 3.16 -1.51 -1.22 -2.68 116.25 114.64 2pgj h VAL 192 Ca -0.01 -1.55 -0.16 0.00 -1.23 0.00 0.00 66.70 63.75 2pgj h VAL 192 Cb 0.30 1.59 -0.00 0.00 -2.13 0.00 0.00 31.29 31.05 2pgj h VAL 192 CO 0.02 0.48 -0.45 0.28 -1.23 0.00 0.00 177.57 176.67 2pgj h SER 193 N 0.37 0.90 -0.13 4.19 0.02 -1.04 -1.20 113.55 116.67 2pgj h SER 193 Ca 0.03 -0.44 0.03 0.00 -0.84 0.00 0.00 61.79 60.57 2pgj h SER 193 Cb 0.87 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 2pgj h SER 193 CO 0.07 1.21 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.85 2pgj h ARG 194 N 0.66 -0.01 -0.69 3.45 2.43 -1.20 -0.56 114.38 118.47 2pgj h ARG 194 Ca 0.04 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2pgj h ARG 194 Cb 1.03 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 2pgj h ARG 194 CO 0.10 -0.00 0.24 0.00 -1.51 0.00 0.00 179.97 178.80 2pgj h ARG 195 N -0.01 1.05 -0.19 0.20 3.08 -1.36 -1.45 114.38 115.71 2pgj h ARG 195 Ca 0.06 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 2pgj h ARG 195 Cb 0.10 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2pgj h ARG 195 CO -0.13 0.88 0.07 0.35 -1.07 0.00 0.00 179.97 180.06 2pgj h PHE 196 N 1.02 0.29 -0.97 3.04 3.57 -0.95 -2.55 116.94 120.38 2pgj h PHE 196 Ca 0.23 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2pgj h PHE 196 Cb 0.25 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2pgj h PHE 196 CO 0.02 0.36 0.64 0.00 -2.23 0.00 0.00 178.31 177.11 2pgj h ALA 197 N 0.90 1.25 0.00 2.41 0.00 -0.91 -1.90 119.26 121.01 2pgj h ALA 197 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2pgj h ALA 197 Cb 0.20 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2pgj h ALA 197 CO -0.00 0.60 -0.04 0.93 0.00 0.00 0.00 179.25 180.74 2pgj h GLU 198 N 1.30 0.00 0.00 0.00 5.08 -0.96 -2.40 114.58 117.60 2pgj h GLU 198 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2pgj h GLU 198 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2pgj h GLU 198 CO -0.09 0.04 -0.45 0.00 -1.00 0.00 0.00 179.01 177.51 2pgj n ALA 199 N -2.18 3.05 -1.78 3.43 0.00 -0.72 -4.76 120.51 117.54 2pgj n ALA 199 Ca -0.02 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 2pgj n ALA 199 Cb 0.16 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.40 2pgj n ALA 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pgj s ALA 200 N -3.07 2.77 0.21 0.00 0.00 -0.90 -4.59 121.76 116.17 2pgj s ALA 200 Ca 0.09 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 2pgj s ALA 200 Cb 0.16 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 2pgj s ALA 200 CO 0.68 -0.67 0.33 0.00 0.00 0.00 0.00 175.76 176.09 2pgj n ASP 202 N -0.31 0.00 -4.66 0.00 8.00 -0.13 -4.11 116.55 115.34 2pgj n ASP 202 Ca -0.02 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.11 2pgj n ASP 202 Cb 0.63 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.64 2pgj n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pgj s VAL 203 N 0.00 5.34 -0.10 2.53 1.01 -1.26 0.24 120.40 128.16 2pgj s VAL 203 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 2pgj s VAL 203 Cb 0.00 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 2pgj s VAL 203 CO 0.00 0.33 -0.06 -0.69 0.00 0.00 0.00 175.10 174.68 2pgj s VAL 204 N 1.11 3.74 0.07 2.92 1.01 -0.36 -4.59 120.40 124.30 2pgj s VAL 204 Ca 0.09 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2pgj s VAL 204 Cb -0.14 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2pgj s VAL 204 CO 0.05 0.57 0.02 -1.00 0.00 0.00 0.00 175.10 174.73 2pgj s HIS 205 N -0.42 3.05 -0.04 5.22 3.76 -0.94 -1.06 115.29 124.85 2pgj s HIS 205 Ca 0.06 0.02 0.01 0.00 -0.15 0.00 0.00 55.06 55.00 2pgj s HIS 205 Cb -0.12 -1.58 0.02 0.00 1.11 0.00 0.00 32.58 32.01 2pgj s HIS 205 CO 0.02 0.48 -0.03 0.54 -0.85 0.00 0.00 174.74 174.90 2pgj s VAL 206 N -1.28 0.43 -0.17 -0.90 0.11 -0.11 -0.11 120.40 118.38 2pgj s VAL 206 Ca 0.25 -0.06 -0.17 0.00 -2.93 0.00 0.00 61.98 59.07 2pgj s VAL 206 Cb -0.12 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2pgj s VAL 206 CO 0.17 0.20 0.45 -0.04 -3.33 0.00 0.00 175.10 172.56 2pgj s MET 207 N 0.94 4.25 0.08 1.54 -1.94 -0.39 -0.19 119.30 123.59 2pgj s MET 207 Ca -0.11 0.34 0.10 0.00 -1.71 0.00 0.00 55.69 54.31 2pgj s MET 207 Cb -0.14 -3.50 -0.03 0.00 2.01 0.00 0.00 34.83 33.17 2pgj s MET 207 CO -0.00 0.02 -0.26 -0.51 -0.01 0.00 0.00 175.02 174.26 2pgj s LEU 208 N 1.09 2.25 -0.57 -0.03 1.43 -0.35 -1.47 118.68 121.02 2pgj s LEU 208 Ca 0.23 -0.64 -0.24 0.00 -1.03 0.00 0.00 54.13 52.45 2pgj s LEU 208 Cb -0.15 -1.28 0.05 0.00 0.03 0.00 0.00 46.19 44.84 2pgj s LEU 208 CO 0.09 0.23 0.95 -0.62 0.23 0.00 0.00 176.35 177.23 2pgj s ASP 209 N -1.55 6.31 0.00 2.29 2.15 -1.22 -0.20 116.67 124.44 2pgj s ASP 209 Ca 0.13 -0.46 0.24 0.00 0.43 0.00 0.00 52.55 52.88 2pgj s ASP 209 Cb -0.10 -2.44 1.25 0.00 -0.30 0.00 0.00 42.92 41.34 2pgj s ASP 209 CO 0.04 -1.28 1.79 0.61 -0.17 0.00 0.00 175.17 176.16 2pgj n GLY 210 N 5.16 -0.99 0.11 2.66 0.00 0.66 -2.70 105.19 110.09 2pgj n GLY 210 Ca 0.01 -0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.03 2pgj n GLY 210 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pgj h SER 211 N 0.00 0.00 -4.16 1.61 4.64 -1.91 -3.44 113.55 110.29 2pgj h SER 211 Ca 0.00 -0.08 -0.51 0.00 -0.47 0.00 0.00 61.79 60.73 2pgj h SER 211 Cb 0.17 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.35 2pgj h SER 211 CO 0.00 0.04 0.39 -0.13 -0.87 0.00 0.00 176.83 176.26 2pgj s ARG 212 N -3.23 2.99 0.23 4.77 1.81 -1.10 -4.96 118.95 119.47 2pgj s ARG 212 Ca 0.05 1.46 -0.07 0.00 -1.72 0.00 0.00 55.73 55.45 2pgj s ARG 212 Cb 0.11 -1.97 0.22 0.00 -0.45 0.00 0.00 34.95 32.85 2pgj s ARG 212 CO 0.72 -1.11 1.87 1.03 -0.68 0.00 0.00 175.30 177.14 2pgj h SER 213 N 0.42 1.12 -3.83 0.23 0.87 -1.91 -3.33 113.55 107.12 2pgj h SER 213 Ca -0.48 -0.08 -0.68 0.00 -1.23 0.00 0.00 61.79 59.32 2pgj h SER 213 Cb 1.25 -0.28 -0.37 0.00 -0.44 0.00 0.00 62.40 62.56 2pgj h SER 213 CO 0.55 0.87 -0.53 -0.54 -0.53 0.00 0.00 176.83 176.65 2pgj s LYS 214 N -5.92 2.08 0.15 2.24 1.02 -1.26 -4.98 119.74 113.07 2pgj s LYS 214 Ca -0.13 -2.15 -0.17 0.00 0.02 0.00 0.00 55.97 53.54 2pgj s LYS 214 Cb 0.17 -3.53 0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2pgj s LYS 214 CO 0.82 -1.09 1.74 0.82 -0.92 0.00 0.00 175.35 176.73 2pgj h ILE 215 N 5.96 0.88 -3.68 2.17 2.04 -1.79 -3.33 117.51 119.77 2pgj h ILE 215 Ca -0.07 -0.07 -0.64 0.00 1.00 0.00 0.00 64.86 65.07 2pgj h ILE 215 Cb 0.99 0.65 -0.20 0.00 -0.74 0.00 0.00 36.82 37.52 2pgj h ILE 215 CO 0.67 0.04 -0.59 0.12 0.00 0.00 0.00 178.15 178.40 2pgj s PHE 216 N -6.17 3.14 -0.27 1.37 5.36 -1.26 -4.40 117.98 115.75 2pgj s PHE 216 Ca -0.13 -0.21 -0.04 0.00 -0.96 0.00 0.00 56.93 55.60 2pgj s PHE 216 Cb 0.11 -2.26 0.02 0.00 -0.34 0.00 0.00 43.02 40.55 2pgj s PHE 216 CO 0.70 -0.24 -0.00 0.34 -1.46 0.00 0.00 175.22 174.56 2pgj s ASP 217 N 1.51 4.67 0.62 6.13 -1.08 -1.25 -4.86 116.67 122.41 2pgj s ASP 217 Ca 0.06 -0.81 0.39 0.00 -0.52 0.00 0.00 52.55 51.67 2pgj s ASP 217 Cb -0.15 -1.75 2.04 0.00 -1.46 0.00 0.00 42.92 41.59 2pgj s ASP 217 CO 0.05 -0.16 2.24 0.11 0.52 0.00 0.00 175.17 177.94 2pgj h LYS 218 N 8.10 0.00 -0.00 4.34 1.57 -1.95 -2.08 116.57 126.56 2pgj h LYS 218 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2pgj h LYS 218 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2pgj h LYS 218 CO 0.58 0.01 -0.40 -0.25 -0.57 0.00 0.00 179.45 178.83 2pgj n ASP 219 N -3.19 0.42 -4.71 0.86 10.43 -1.26 -2.81 116.55 116.28 2pgj n ASP 219 Ca -0.02 -0.13 -0.29 0.00 2.57 0.00 0.00 54.79 56.92 2pgj n ASP 219 Cb 0.15 0.10 0.15 0.00 1.84 0.00 0.00 41.12 43.35 2pgj n ASP 219 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2pgj s SER 220 N -2.98 3.30 0.22 -2.24 1.04 -0.78 -4.73 113.70 107.53 2pgj s SER 220 Ca 0.12 1.41 -0.09 0.00 0.48 0.00 0.00 55.95 57.87 2pgj s SER 220 Cb 0.18 -2.09 0.20 0.00 0.10 0.00 0.00 66.02 64.42 2pgj s SER 220 CO 0.66 -2.74 1.89 0.74 0.98 0.00 0.00 173.24 174.77 2pgj h THR 221 N -1.62 1.18 -0.31 2.02 2.02 -1.91 0.16 112.91 114.45 2pgj h THR 221 Ca -0.51 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.34 2pgj h THR 221 Cb 1.29 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 2pgj h THR 221 CO 0.55 0.20 0.11 0.15 0.37 0.00 0.00 175.52 176.90 2pgj h PHE 222 N 1.08 0.20 0.00 3.16 3.57 -1.89 -0.74 116.94 122.32 2pgj h PHE 222 Ca 0.31 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.68 2pgj h PHE 222 Cb -0.08 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2pgj h PHE 222 CO -0.02 0.09 -0.68 0.78 -2.23 0.00 0.00 178.31 176.25 2pgj h GLY 223 N 0.25 0.00 0.16 2.40 0.00 -1.58 -0.95 103.07 103.35 2pgj h GLY 223 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2pgj h GLY 223 CO -0.14 0.00 -1.88 -1.14 0.00 0.00 0.00 176.54 173.38 2pgj n SER 224 N -3.29 0.14 0.05 0.19 3.41 0.54 -4.64 113.62 110.02 2pgj n SER 224 Ca 0.01 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2pgj n SER 224 Cb 0.80 1.66 0.00 0.00 -0.26 0.00 0.00 64.21 66.41 2pgj n SER 224 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pgj n VAL 225 N -2.37 1.16 -0.10 -3.33 0.31 -0.35 -4.79 118.33 108.86 2pgj n VAL 225 Ca -0.06 0.38 -0.11 0.00 -0.01 0.00 0.00 64.34 64.55 2pgj n VAL 225 Cb 0.62 -1.55 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 2pgj n VAL 225 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2pgj h GLU 226 N 0.00 0.52 -0.41 5.55 5.08 -1.12 -2.57 114.58 121.63 2pgj h GLU 226 Ca 0.00 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2pgj h GLU 226 Cb 0.00 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2pgj h GLU 226 CO 0.00 0.64 0.27 -0.24 -1.00 0.00 0.00 179.01 178.69 2pgj h VAL 227 N 0.33 0.97 -0.01 3.13 3.04 -1.44 -1.30 116.25 120.97 2pgj h VAL 227 Ca 0.09 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2pgj h VAL 227 Cb 0.39 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 2pgj h VAL 227 CO 0.01 0.06 -0.15 1.41 -1.01 0.00 0.00 177.57 177.89 2pgj n HIS 228 N -4.48 0.00 0.26 3.17 8.25 -1.06 -3.95 115.22 117.40 2pgj n HIS 228 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.54 2pgj n HIS 228 Cb 0.24 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 2pgj n HIS 228 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2pgj n ASN 229 N -0.20 0.89 -4.77 0.41 3.02 -0.54 -4.98 115.26 109.09 2pgj n ASN 229 Ca 0.15 -0.94 -0.41 0.00 -0.03 0.00 0.00 54.58 53.34 2pgj n ASN 229 Cb 0.37 0.50 -0.01 0.00 -0.61 0.00 0.00 39.78 40.03 2pgj n ASN 229 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pgj s LEU 230 N -1.38 4.33 -0.38 3.41 1.43 -0.90 -3.51 118.68 121.68 2pgj s LEU 230 Ca 0.05 3.01 -0.16 0.00 -1.03 0.00 0.00 54.13 56.00 2pgj s LEU 230 Cb 0.05 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2pgj s LEU 230 CO 0.15 -0.89 0.37 -1.10 0.23 0.00 0.00 176.35 175.12 2pgj s GLN 231 N -1.51 3.34 0.61 1.70 -1.52 -1.26 -4.94 119.66 116.07 2pgj s GLN 231 Ca 0.57 -0.60 0.32 0.00 -1.95 0.00 0.00 55.36 53.69 2pgj s GLN 231 Cb -0.47 -3.88 1.93 0.00 -0.22 0.00 0.00 33.01 30.37 2pgj s GLN 231 CO 0.58 -0.65 2.27 -1.35 -0.25 0.00 0.00 175.29 175.88 2pgj h PRO 232 N 8.57 0.00 0.00 2.91 0.11 -1.85 0.10 132.00 141.85 2pgj h PRO 232 Ca -0.28 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2pgj h PRO 232 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pgj h PRO 232 CO 0.73 0.00 -0.08 0.93 -0.21 0.00 0.00 178.00 179.37 2pgj h GLU 233 N 0.00 0.00 0.00 1.05 3.07 -1.93 -3.34 114.58 113.43 2pgj h GLU 233 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 2pgj h GLU 233 Cb 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2pgj h GLU 233 CO -0.00 0.08 -1.16 1.63 -1.40 0.00 0.00 179.01 178.15 2pgj n LYS 234 N -3.62 1.68 -3.11 2.33 5.02 -0.24 -5.00 118.16 115.21 2pgj n LYS 234 Ca -0.02 0.01 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 2pgj n LYS 234 Cb 0.19 -1.06 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 2pgj n LYS 234 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2pgj s VAL 235 N -2.06 4.96 -0.13 -0.18 1.01 0.20 -0.96 120.40 123.23 2pgj s VAL 235 Ca -0.03 1.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 2pgj s VAL 235 Cb 0.01 -3.97 -0.26 0.00 0.00 0.00 0.00 36.38 32.16 2pgj s VAL 235 CO 0.08 -0.06 0.75 -0.61 0.00 0.00 0.00 175.10 175.25 2pgj h GLN 236 N 8.04 0.04 -3.69 2.72 4.15 -0.53 -3.44 115.11 122.39 2pgj h GLN 236 Ca -0.27 -0.06 -0.21 0.00 0.77 0.00 0.00 58.65 58.88 2pgj h GLN 236 Cb 1.12 0.02 -0.27 0.00 0.21 0.00 0.00 27.48 28.57 2pgj h GLN 236 CO 0.79 1.03 -0.68 0.99 -1.93 0.00 0.00 178.83 179.03 2pgj s THR 237 N -2.26 0.02 -0.24 2.39 2.01 -0.98 -1.31 115.64 115.27 2pgj s THR 237 Ca -0.19 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 2pgj s THR 237 Cb -0.02 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.36 2pgj s THR 237 CO 0.70 -0.08 0.07 -0.22 -0.69 0.00 0.00 174.62 174.40 2pgj s LEU 238 N -0.23 3.49 -0.25 4.42 2.96 0.21 -1.22 118.68 128.06 2pgj s LEU 238 Ca -0.03 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2pgj s LEU 238 Cb -0.02 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.75 2pgj s LEU 238 CO -0.00 -0.00 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.32 2pgj s GLU 239 N 1.42 3.19 -0.11 1.98 2.12 -0.23 -1.15 118.70 125.91 2pgj s GLU 239 Ca 0.05 -0.76 -0.12 0.00 0.36 0.00 0.00 54.97 54.50 2pgj s GLU 239 Cb -0.15 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.07 2pgj s GLU 239 CO 0.04 -0.31 0.28 0.00 -0.54 0.00 0.00 175.26 174.73 2pgj s ALA 240 N 1.46 3.69 -0.35 6.30 0.00 -0.11 -0.93 121.76 131.82 2pgj s ALA 240 Ca 0.04 -0.44 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 2pgj s ALA 240 Cb -0.16 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.70 2pgj s ALA 240 CO -0.02 0.32 0.14 -1.58 0.00 0.00 0.00 175.76 174.62 2pgj s TRP 241 N -0.28 3.24 -0.38 0.00 0.51 0.74 -0.87 118.94 121.89 2pgj s TRP 241 Ca 0.18 -1.18 -0.22 0.00 -2.12 0.00 0.00 56.10 52.76 2pgj s TRP 241 Cb -0.14 -2.34 0.01 0.00 -0.81 0.00 0.00 33.47 30.20 2pgj s TRP 241 CO 0.06 -0.68 0.71 0.08 -0.51 0.00 0.00 176.95 176.61 2pgj s VAL 242 N 1.47 4.80 -0.31 4.03 1.01 0.21 -1.21 120.40 130.40 2pgj s VAL 242 Ca 0.00 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 2pgj s VAL 242 Cb -0.19 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2pgj s VAL 242 CO 0.04 -0.44 0.64 -0.63 0.00 0.00 0.00 175.10 174.71 2pgj s ILE 243 N 2.93 4.92 0.43 2.22 -1.09 0.72 -0.97 121.20 130.36 2pgj s ILE 243 Ca 0.27 0.84 -0.23 0.00 -2.23 0.00 0.00 60.65 59.30 2pgj s ILE 243 Cb -0.14 -4.02 -0.08 0.00 -1.58 0.00 0.00 42.46 36.64 2pgj s ILE 243 CO 0.17 -0.17 1.08 -1.00 -1.23 0.00 0.00 174.94 173.79 2pgj s HIS 244 N 2.65 3.12 0.00 3.97 3.76 -0.37 -0.25 115.29 128.18 2pgj s HIS 244 Ca 0.26 1.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.77 2pgj s HIS 244 Cb -0.15 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.35 2pgj s HIS 244 CO 0.12 -0.90 0.00 0.41 -0.85 0.00 0.00 174.74 173.52 2pgj n GLY 245 N 0.30 0.00 3.54 -2.22 0.00 -1.26 -4.69 105.19 100.86 2pgj n GLY 245 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2pgj n GLY 245 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pgj n GLY 246 N 2.48 0.19 3.54 -0.02 0.00 -1.26 -4.85 105.19 105.27 2pgj n GLY 246 Ca 0.00 0.77 -0.43 0.00 0.00 0.00 0.00 46.02 46.36 2pgj n GLY 246 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pgj s ARG 247 N 8.02 3.42 0.00 1.61 1.81 -1.26 -4.44 118.95 128.11 2pgj s ARG 247 Ca 1.05 -0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.99 2pgj s ARG 247 Cb -0.42 -3.96 0.00 0.00 -0.45 0.00 0.00 34.95 30.12 2pgj s ARG 247 CO 0.33 -1.24 0.00 -1.91 -0.68 0.00 0.00 175.30 171.80 2pgj n GLU 248 N 7.03 0.00 0.00 3.54 2.13 -1.26 -5.00 120.64 127.08 2pgj n GLU 248 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 2pgj n GLU 248 Cb 0.48 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.35 2pgj n GLU 248 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2pgj n ASP 249 N 0.49 0.00 -3.38 4.31 9.92 -1.26 -5.20 116.55 121.42 2pgj n ASP 249 Ca 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.10 2pgj n ASP 249 Cb 0.14 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.56 2pgj n ASP 249 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2pgj s SER 250 N 0.00 1.11 0.83 -2.24 0.15 -1.26 -5.11 113.70 107.18 2pgj s SER 250 Ca 0.00 -1.57 -0.12 0.00 0.70 0.00 0.00 55.95 54.96 2pgj s SER 250 Cb 0.00 0.60 0.09 0.00 -1.71 0.00 0.00 66.02 65.00 2pgj s SER 250 CO 0.00 -1.17 1.17 -0.13 1.20 0.00 0.00 173.24 174.31 2pgj s ARG 251 N -3.31 1.80 -0.91 5.44 3.00 -1.26 -4.98 118.95 118.73 2pgj s ARG 251 Ca 0.35 0.17 -0.22 0.00 0.00 0.00 0.00 55.73 56.02 2pgj s ARG 251 Cb 0.01 -1.93 0.07 0.00 0.00 0.00 0.00 34.95 33.11 2pgj s ARG 251 CO 0.22 -1.72 1.28 0.34 0.00 0.00 0.00 175.30 175.42 2pgj s ASP 252 N -4.44 6.45 0.00 0.23 2.15 -1.26 -4.86 116.67 114.94 2pgj s ASP 252 Ca 0.62 -1.42 0.19 0.00 0.43 0.00 0.00 52.55 52.38 2pgj s ASP 252 Cb -0.12 -2.50 0.99 0.00 -0.30 0.00 0.00 42.92 40.99 2pgj s ASP 252 CO 0.50 -1.42 1.60 0.18 -0.17 0.00 0.00 175.17 175.85 2pgj n LEU 253 N 8.16 0.00 0.00 -1.34 4.77 -1.26 -1.96 117.00 125.37 2pgj n LEU 253 Ca 0.22 0.26 0.10 0.00 -0.03 0.00 0.00 56.01 56.57 2pgj n LEU 253 Cb 0.50 -0.26 0.52 0.00 -2.33 0.00 0.00 43.42 41.85 2pgj n LEU 253 CO 0.62 -0.10 0.84 0.00 -1.33 0.00 0.00 177.39 177.42 2pgj n GLN 255 N -1.32 2.09 -1.83 0.00 1.13 -0.83 -4.62 117.38 112.00 2pgj n GLN 255 Ca 0.09 -1.64 -0.41 0.00 -1.94 0.00 0.00 57.00 53.11 2pgj n GLN 255 Cb 0.18 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.06 2pgj n GLN 255 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2pgj s ASP 256 N -2.04 6.39 0.42 1.08 -1.08 -1.01 -4.79 116.67 115.63 2pgj s ASP 256 Ca 0.29 3.00 0.18 0.00 -0.52 0.00 0.00 52.55 55.50 2pgj s ASP 256 Cb 0.20 -2.66 1.10 0.00 -1.46 0.00 0.00 42.92 40.10 2pgj s ASP 256 CO 0.33 -0.85 1.84 -0.65 0.52 0.00 0.00 175.17 176.36 2pgj h PRO 257 N 3.42 0.38 -0.02 4.34 0.11 -1.94 -0.31 132.00 137.99 2pgj h PRO 257 Ca -0.50 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 2pgj h PRO 257 Cb 1.23 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2pgj h PRO 257 CO 0.67 0.25 -0.65 1.79 -0.21 0.00 0.00 178.00 179.86 2pgj h THR 258 N 0.39 1.44 -0.38 -1.15 1.35 -1.90 -1.20 112.91 111.46 2pgj h THR 258 Ca 0.49 -2.17 -0.16 0.00 -0.55 0.00 0.00 66.41 64.02 2pgj h THR 258 Cb 1.23 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.80 2pgj h THR 258 CO -0.19 0.63 -0.37 0.40 -0.25 0.00 0.00 175.52 175.74 2pgj h ILE 259 N 0.06 1.27 -0.24 6.82 1.08 -1.42 -1.40 117.51 123.69 2pgj h ILE 259 Ca -0.01 -1.54 -0.05 0.00 -0.39 0.00 0.00 64.86 62.87 2pgj h ILE 259 Cb 1.15 1.38 -0.01 0.00 -3.07 0.00 0.00 36.82 36.27 2pgj h ILE 259 CO 0.09 0.52 -0.08 0.11 -0.69 0.00 0.00 178.15 178.09 2pgj h LYS 260 N 0.75 0.37 -0.06 2.37 1.79 -1.01 -0.09 116.57 120.69 2pgj h LYS 260 Ca 0.06 -0.09 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2pgj h LYS 260 Cb 0.96 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.56 2pgj h LYS 260 CO 0.09 0.47 0.01 1.49 -1.08 0.00 0.00 179.45 180.43 2pgj h GLU 261 N 0.35 0.10 -0.68 3.15 4.81 -1.03 -1.25 114.58 120.03 2pgj h GLU 261 Ca 0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 2pgj h GLU 261 Cb 0.37 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 2pgj h GLU 261 CO 0.02 0.31 0.40 1.25 -0.73 0.00 0.00 179.01 180.26 2pgj h LEU 262 N -0.13 0.61 -0.46 1.64 5.85 -0.88 0.10 115.31 122.03 2pgj h LEU 262 Ca 0.02 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2pgj h LEU 262 Cb 0.26 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2pgj h LEU 262 CO 0.00 0.41 0.24 -0.08 -0.34 0.00 0.00 178.44 178.67 2pgj h GLU 263 N 0.75 0.47 -0.31 1.25 4.81 -0.90 -0.56 114.58 120.08 2pgj h GLU 263 Ca 0.29 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2pgj h GLU 263 Cb 0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2pgj h GLU 263 CO -0.16 0.31 0.16 1.03 -0.73 0.00 0.00 179.01 179.62 2pgj h SER 264 N 0.48 0.40 -0.15 1.04 0.87 -0.43 0.03 113.55 115.79 2pgj h SER 264 Ca 0.20 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 2pgj h SER 264 Cb 0.09 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 2pgj h SER 264 CO -0.13 0.40 0.07 0.40 -0.53 0.00 0.00 176.83 177.05 2pgj h ILE 265 N 0.38 1.13 -0.06 2.23 2.04 -0.68 -1.33 117.51 121.21 2pgj h ILE 265 Ca 0.11 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.42 2pgj h ILE 265 Cb 0.10 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2pgj h ILE 265 CO -0.02 0.12 -0.71 0.16 0.00 0.00 0.00 178.15 177.71 2pgj h ILE 266 N 0.12 1.41 -0.88 -0.67 -0.00 -1.00 -2.80 117.51 113.69 2pgj h ILE 266 Ca 0.05 -2.18 -0.02 0.00 -0.00 0.00 0.00 64.86 62.72 2pgj h ILE 266 Cb 0.13 2.14 -0.04 0.00 -0.00 0.00 0.00 36.82 39.05 2pgj h ILE 266 CO -0.01 0.65 0.47 0.28 -0.00 0.00 0.00 178.15 179.54 2pgj h SER 267 N 0.20 1.10 0.55 2.16 0.02 -0.84 -0.97 113.55 115.78 2pgj h SER 267 Ca -0.02 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2pgj h SER 267 Cb 1.27 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2pgj h SER 267 CO 0.11 0.89 0.00 0.29 -1.14 0.00 0.00 176.83 176.99 2pgj n LYS 268 N -4.33 0.07 0.00 3.45 5.02 -0.52 -1.45 118.16 120.40 2pgj n LYS 268 Ca 0.09 0.17 0.13 0.00 -2.02 0.00 0.00 58.31 56.69 2pgj n LYS 268 Cb 0.11 -1.50 0.39 0.00 -0.02 0.00 0.00 35.03 34.01 2pgj n LYS 268 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2pgj n ARG 269 N -1.45 1.72 -2.52 1.97 1.74 -0.40 -4.94 116.66 112.79 2pgj n ARG 269 Ca 0.05 -1.14 -0.07 0.00 -0.77 0.00 0.00 57.85 55.93 2pgj n ARG 269 Cb 0.19 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2pgj n ARG 269 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pgj n ASN 270 N 0.35 -2.94 -4.26 0.55 3.02 -0.53 -4.74 115.26 106.71 2pgj n ASN 270 Ca 0.17 -0.09 -0.29 0.00 -0.03 0.00 0.00 54.58 54.33 2pgj n ASN 270 Cb 0.41 -1.84 -0.16 0.00 -0.61 0.00 0.00 39.78 37.59 2pgj n ASN 270 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pgj s ILE 271 N -2.75 1.86 0.43 2.41 1.01 -1.04 -4.95 121.20 118.17 2pgj s ILE 271 Ca 0.10 -0.99 -0.22 0.00 0.00 0.00 0.00 60.65 59.53 2pgj s ILE 271 Cb -0.04 -1.55 -0.09 0.00 0.01 0.00 0.00 42.46 40.78 2pgj s ILE 271 CO 0.12 0.52 1.01 -1.10 0.00 0.00 0.00 174.94 175.49 2pgj s GLN 272 N -0.43 4.08 -0.07 2.79 -0.21 -0.43 -3.41 119.66 121.98 2pgj s GLN 272 Ca 0.06 1.33 0.05 0.00 0.02 0.00 0.00 55.36 56.82 2pgj s GLN 272 Cb -0.10 -2.30 -0.01 0.00 1.00 0.00 0.00 33.01 31.60 2pgj s GLN 272 CO 0.00 -0.18 -0.23 0.12 -2.12 0.00 0.00 175.29 172.88 2pgj s PHE 273 N -1.92 2.52 0.10 0.91 5.36 -1.26 -0.62 117.98 123.07 2pgj s PHE 273 Ca 0.62 -0.73 0.06 0.00 -0.96 0.00 0.00 56.93 55.91 2pgj s PHE 273 Cb -0.16 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 40.84 2pgj s PHE 273 CO 0.20 -0.22 -0.16 0.45 -1.46 0.00 0.00 175.22 174.03 2pgj s SER 274 N -0.06 1.99 -0.02 6.13 0.15 -0.30 -4.98 113.70 116.61 2pgj s SER 274 Ca -0.06 -0.70 -0.03 0.00 0.70 0.00 0.00 55.95 55.86 2pgj s SER 274 Cb -0.15 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2pgj s SER 274 CO 0.05 -0.06 0.07 0.00 1.20 0.00 0.00 173.24 174.50 2pgj s LYS 276 N -0.53 0.23 -0.01 0.00 1.02 -0.05 -4.95 119.74 115.45 2pgj s LYS 276 Ca -0.06 -0.23 -0.21 0.00 0.02 0.00 0.00 55.97 55.48 2pgj s LYS 276 Cb -0.04 -0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.09 2pgj s LYS 276 CO 0.00 0.03 0.63 -0.80 -0.92 0.00 0.00 175.35 174.29 2pgj s ASN 277 N -0.44 7.01 -0.47 2.83 0.01 -1.26 -0.62 114.94 121.99 2pgj s ASN 277 Ca -0.03 1.20 -0.06 0.00 -0.71 0.00 0.00 52.86 53.26 2pgj s ASN 277 Cb -0.03 -2.38 0.12 0.00 0.41 0.00 0.00 41.25 39.37 2pgj s ASN 277 CO -0.00 0.06 0.31 -0.63 -1.51 0.00 0.00 177.10 175.32 2pgj s ILE 278 N -0.03 3.77 0.15 0.60 1.01 -0.14 -4.89 121.20 121.66 2pgj s ILE 278 Ca 0.33 -2.08 -0.09 0.00 0.00 0.00 0.00 60.65 58.81 2pgj s ILE 278 Cb -0.18 -3.52 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 2pgj s ILE 278 CO 0.18 -0.76 1.43 1.88 0.00 0.00 0.00 174.94 177.67 2pgj h TYR 279 N 8.07 0.96 -3.03 3.97 0.05 -1.93 -0.96 116.97 124.10 2pgj h TYR 279 Ca -0.14 -0.35 -0.61 0.00 0.05 0.00 0.00 58.73 57.68 2pgj h TYR 279 Cb 1.04 -0.18 -0.40 0.00 1.01 0.00 0.00 36.73 38.21 2pgj h TYR 279 CO 0.62 1.15 -0.74 1.03 -1.05 0.00 0.00 178.16 179.17 2pgj s ARG 280 N -4.04 1.18 0.53 4.88 0.52 -1.26 -4.56 118.95 116.20 2pgj s ARG 280 Ca -0.09 -1.83 0.22 0.00 -0.52 0.00 0.00 55.73 53.50 2pgj s ARG 280 Cb 0.10 -2.28 1.42 0.00 0.52 0.00 0.00 34.95 34.72 2pgj s ARG 280 CO 0.88 -1.13 2.15 -1.35 0.02 0.00 0.00 175.30 175.87 2pgj h PRO 281 N 7.00 0.00 -0.40 3.54 0.11 -1.84 -1.14 132.00 139.27 2pgj h PRO 281 Ca -0.03 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 2pgj h PRO 281 Cb 0.95 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 2pgj h PRO 281 CO 0.48 0.05 0.14 0.38 -0.21 0.00 0.00 178.00 178.84 2pgj h ASP 282 N 0.00 0.56 -0.51 -2.05 2.03 -1.97 -1.32 116.42 113.16 2pgj h ASP 282 Ca -0.00 -0.19 -0.03 0.00 -0.73 0.00 0.00 57.03 56.09 2pgj h ASP 282 Cb 0.10 -0.15 -0.02 0.00 -0.83 0.00 0.00 39.33 38.43 2pgj h ASP 282 CO 0.01 0.60 0.22 0.50 -1.03 0.00 0.00 179.24 179.54 2pgj h LYS 283 N 0.50 0.76 -0.05 4.15 3.64 -1.77 -2.09 116.57 121.70 2pgj h LYS 283 Ca 0.13 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2pgj h LYS 283 Cb 0.22 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 2pgj h LYS 283 CO -0.01 0.65 -0.28 0.35 -2.27 0.00 0.00 179.45 177.90 2pgj h PHE 284 N 0.69 -0.75 -0.75 1.91 3.57 -1.07 0.65 116.94 121.17 2pgj h PHE 284 Ca 0.17 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 2pgj h PHE 284 Cb 0.17 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 2pgj h PHE 284 CO 0.00 -0.37 0.34 -0.07 -2.23 0.00 0.00 178.31 175.99 2pgj h LEU 285 N -0.40 0.99 -0.86 0.59 3.38 -1.14 -1.11 115.31 116.77 2pgj h LEU 285 Ca 0.08 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2pgj h LEU 285 Cb 0.50 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2pgj h LEU 285 CO -0.27 0.85 0.17 -0.61 0.09 0.00 0.00 178.44 178.66 2pgj h GLN 286 N 1.07 1.01 0.00 1.13 5.75 -0.95 -1.61 115.11 121.52 2pgj h GLN 286 Ca 0.26 -0.22 -0.09 0.00 -0.15 0.00 0.00 58.65 58.45 2pgj h GLN 286 Cb 0.13 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 2pgj h GLN 286 CO -0.03 0.89 -0.41 0.00 -2.65 0.00 0.00 178.83 176.63 2pgj h VAL 288 N 0.00 1.36 -0.56 0.00 2.07 -0.68 -1.10 116.25 117.34 2pgj h VAL 288 Ca -0.00 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 2pgj h VAL 288 Cb 0.74 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 2pgj h VAL 288 CO 0.05 0.42 0.06 0.11 0.02 0.00 0.00 177.57 178.23 2pgj h LYS 289 N 0.02 0.95 -2.39 1.57 1.57 -1.14 -3.39 116.57 113.76 2pgj h LYS 289 Ca 0.02 -0.27 -0.59 0.00 -1.87 0.00 0.00 60.65 57.93 2pgj h LYS 289 Cb 0.77 -0.10 -0.39 0.00 0.08 0.00 0.00 32.23 32.59 2pgj h LYS 289 CO 0.05 0.93 -0.95 0.09 -0.57 0.00 0.00 179.45 179.00 2pgj n ASN 290 N -4.30 -0.04 0.00 0.86 3.02 0.39 -4.95 115.26 110.23 2pgj n ASN 290 Ca 0.02 -2.50 0.07 0.00 -0.03 0.00 0.00 54.58 52.14 2pgj n ASN 290 Cb 0.29 -0.58 0.31 0.00 -0.61 0.00 0.00 39.78 39.19 2pgj n ASN 290 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2pgj n PRO 291 N 2.58 0.02 -1.23 3.52 -0.04 -0.42 -3.24 135.00 136.19 2pgj n PRO 291 Ca 0.28 0.25 -0.24 0.00 -0.04 0.00 0.00 63.50 63.74 2pgj n PRO 291 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2pgj n PRO 291 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2pgj n GLU 292 N -1.48 2.78 -4.06 0.54 4.07 -1.26 -4.84 120.64 116.38 2pgj n GLU 292 Ca 0.04 -1.72 -0.13 0.00 -0.06 0.00 0.00 57.16 55.28 2pgj n GLU 292 Cb 0.16 -2.31 -0.13 0.00 -0.06 0.00 0.00 31.44 29.10 2pgj n GLU 292 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2pgj s ASP 293 N 1.73 0.58 0.18 4.31 -1.08 -1.20 -5.09 116.67 116.10 2pgj s ASP 293 Ca 0.66 -0.31 -0.15 0.00 -0.52 0.00 0.00 52.55 52.24 2pgj s ASP 293 Cb 0.27 0.00 0.15 0.00 -1.46 0.00 0.00 42.92 41.88 2pgj s ASP 293 CO -0.05 -0.09 1.69 -1.28 0.52 0.00 0.00 175.17 175.96 2pgj h SER 294 N 5.29 -0.18 0.89 -0.34 0.87 -1.93 -2.31 113.55 115.84 2pgj h SER 294 Ca -0.31 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.29 2pgj h SER 294 Cb 1.20 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.33 2pgj h SER 294 CO 0.46 -0.05 -0.33 0.77 -0.53 0.00 0.00 176.83 177.14 2pgj h SER 295 N 0.12 0.00 0.00 6.23 4.64 -1.98 -3.55 113.55 119.00 2pgj h SER 295 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2pgj h SER 295 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 2pgj h SER 295 CO -0.37 0.33 0.00 0.00 -0.87 0.00 0.00 176.83 175.92