#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8r n GLY 6 N 0.00 0.10 3.62 3.38 0.00 -1.26 -4.69 105.19 106.34 1c8r n GLY 6 Ca 0.00 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1c8r n GLY 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c8r s ARG 7 N -2.23 4.05 0.52 1.61 0.52 -1.26 -4.98 118.95 117.18 1c8r s ARG 7 Ca 0.28 0.14 0.28 0.00 -0.52 0.00 0.00 55.73 55.91 1c8r s ARG 7 Cb 0.20 -3.64 1.43 0.00 0.52 0.00 0.00 34.95 33.46 1c8r s ARG 7 CO 0.42 -0.27 2.05 -1.00 0.02 0.00 0.00 175.30 176.52 1c8r h PRO 8 N 8.04 0.00 0.00 3.54 0.13 -2.02 0.08 132.00 141.77 1c8r h PRO 8 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1c8r h PRO 8 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1c8r h PRO 8 CO 0.67 0.12 0.00 -0.85 -0.23 0.00 0.00 178.00 177.71 1c8r n GLU 9 N -3.52 0.72 -0.35 0.86 0.00 -1.26 -3.87 120.64 113.22 1c8r n GLU 9 Ca -0.01 0.01 0.09 0.00 0.00 0.00 0.00 57.16 57.25 1c8r n GLU 9 Cb 0.26 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.47 1c8r n GLU 9 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.13 177.24 1c8r h TRP 10 N 0.00 1.07 -0.76 -1.84 5.08 -1.33 -1.29 115.95 116.89 1c8r h TRP 10 Ca 0.00 0.03 0.02 0.00 1.08 0.00 0.00 58.89 60.03 1c8r h TRP 10 Cb 0.03 -0.33 -0.04 0.00 -3.00 0.00 0.00 29.16 25.82 1c8r h TRP 10 CO 0.00 0.34 0.50 0.97 -1.28 0.00 0.00 178.44 178.97 1c8r h ILE 11 N 0.86 1.15 0.01 0.12 6.09 -1.81 0.68 117.51 124.62 1c8r h ILE 11 Ca 0.52 -0.33 -0.23 0.00 -1.37 0.00 0.00 64.86 63.45 1c8r h ILE 11 Cb 0.66 0.09 0.00 0.00 0.47 0.00 0.00 36.82 38.05 1c8r h ILE 11 CO -0.32 0.18 -0.97 -0.50 -3.07 0.00 0.00 178.15 173.47 1c8r h TRP 12 N 0.97 0.59 -0.68 2.19 -0.00 -1.52 0.13 115.95 117.64 1c8r h TRP 12 Ca 0.29 -0.33 -0.06 0.00 -0.00 0.00 0.00 58.89 58.79 1c8r h TRP 12 Cb -0.02 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.16 29.05 1c8r h TRP 12 CO -0.00 1.16 0.17 -0.07 -0.00 0.00 0.00 178.44 179.70 1c8r h LEU 13 N 0.21 1.01 -0.09 -4.49 3.38 -0.69 0.21 115.31 114.85 1c8r h LEU 13 Ca -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1c8r h LEU 13 Cb 1.61 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 1c8r h LEU 13 CO 0.17 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.67 1c8r h ALA 14 N 1.16 0.12 -0.99 1.53 0.00 0.40 0.77 119.26 122.25 1c8r h ALA 14 Ca 0.22 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1c8r h ALA 14 Cb 0.35 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1c8r h ALA 14 CO -0.00 -0.21 0.65 1.25 0.00 0.00 0.00 179.25 180.94 1c8r h LEU 15 N -0.11 1.07 -0.54 0.00 6.46 -0.64 0.41 115.31 121.96 1c8r h LEU 15 Ca 0.03 -0.01 -0.15 0.00 -0.12 0.00 0.00 57.88 57.63 1c8r h LEU 15 Cb 0.33 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1c8r h LEU 15 CO 0.00 0.72 -0.45 1.23 -0.62 0.00 0.00 178.44 179.33 1c8r h GLY 16 N 1.24 0.73 0.95 3.75 0.00 -0.35 0.15 103.07 109.54 1c8r h GLY 16 Ca 0.40 -0.78 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1c8r h GLY 16 CO -0.14 0.70 -0.07 -0.84 0.00 0.00 0.00 176.54 176.19 1c8r h THR 17 N 0.54 0.84 -0.52 4.70 2.02 -0.42 0.19 112.91 120.25 1c8r h THR 17 Ca 0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.27 1c8r h THR 17 Cb 0.99 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 1c8r h THR 17 CO 0.09 0.00 0.24 0.00 0.37 0.00 0.00 175.52 176.22 1c8r h ALA 18 N 0.70 0.66 -0.04 6.16 0.00 -0.68 0.28 119.26 126.33 1c8r h ALA 18 Ca -0.01 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1c8r h ALA 18 Cb 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1c8r h ALA 18 CO 0.00 -0.13 -0.67 -0.07 0.00 0.00 0.00 179.25 178.38 1c8r h LEU 19 N 0.46 0.21 -0.55 0.00 3.38 -0.37 0.10 115.31 118.53 1c8r h LEU 19 Ca 0.24 -0.13 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1c8r h LEU 19 Cb 0.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1c8r h LEU 19 CO -0.19 0.82 -0.61 0.24 0.09 0.00 0.00 178.44 178.79 1c8r h MET 20 N 0.12 0.39 -0.21 1.13 2.86 -0.13 0.23 114.93 119.32 1c8r h MET 20 Ca -0.01 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.34 1c8r h MET 20 Cb 1.20 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 1c8r h MET 20 CO 0.10 0.88 0.08 0.78 1.06 0.00 0.00 176.91 179.81 1c8r h GLY 21 N 1.28 0.35 0.99 8.32 0.00 -0.12 -0.36 103.07 113.52 1c8r h GLY 21 Ca -0.01 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1c8r h GLY 21 CO 0.10 0.19 0.33 1.41 0.00 0.00 0.00 176.54 178.57 1c8r h LEU 22 N 0.19 0.66 -0.96 3.11 4.07 -0.75 0.03 115.31 121.66 1c8r h LEU 22 Ca 0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1c8r h LEU 22 Cb 0.20 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.73 1c8r h LEU 22 CO -0.00 0.52 0.59 1.23 -1.08 0.00 0.00 178.44 179.69 1c8r h GLY 23 N 0.74 1.39 0.93 0.83 0.00 -0.79 0.21 103.07 106.38 1c8r h GLY 23 Ca 0.20 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1c8r h GLY 23 CO -0.04 0.55 -0.00 -0.84 0.00 0.00 0.00 176.54 176.21 1c8r h THR 24 N 1.32 1.05 -0.56 4.70 2.02 -0.31 0.16 112.91 121.29 1c8r h THR 24 Ca 0.35 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 1c8r h THR 24 Cb -0.07 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1c8r h THR 24 CO -0.07 0.04 0.25 -0.07 0.37 0.00 0.00 175.52 176.05 1c8r h LEU 25 N -0.08 0.75 -0.34 2.58 3.38 -0.68 0.05 115.31 120.97 1c8r h LEU 25 Ca -0.00 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 57.88 1c8r h LEU 25 Cb 0.08 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1c8r h LEU 25 CO 0.00 0.69 0.02 0.22 0.09 0.00 0.00 178.44 179.46 1c8r h TYR 26 N 0.76 0.02 0.00 1.13 3.20 -0.29 -0.14 116.97 121.66 1c8r h TYR 26 Ca 0.19 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 1c8r h TYR 26 Cb 0.15 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1c8r h TYR 26 CO 0.00 -0.04 -0.49 0.74 -1.64 0.00 0.00 178.16 176.73 1c8r h PHE 27 N 0.12 0.00 0.07 -3.82 0.04 -0.20 0.72 116.94 113.86 1c8r h PHE 27 Ca 0.17 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 1c8r h PHE 27 Cb 0.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1c8r h PHE 27 CO -0.23 0.49 -0.03 -0.07 -0.60 0.00 0.00 178.31 177.87 1c8r h LEU 28 N 0.00 -0.07 -0.44 1.54 3.38 -0.54 0.87 115.31 120.05 1c8r h LEU 28 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1c8r h LEU 28 Cb 0.91 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1c8r h LEU 28 CO 0.06 0.00 0.20 0.58 0.09 0.00 0.00 178.44 179.38 1c8r h VAL 29 N -0.15 1.19 -0.84 1.22 2.07 -0.75 -2.92 116.25 116.07 1c8r h VAL 29 Ca -0.01 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 66.99 1c8r h VAL 29 Cb 0.12 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1c8r h VAL 29 CO 0.01 0.21 0.54 0.50 0.02 0.00 0.00 177.57 178.86 1c8r h LYS 30 N 0.57 1.03 -0.09 1.57 3.64 -0.62 -1.11 116.57 121.56 1c8r h LYS 30 Ca 0.15 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1c8r h LYS 30 Cb 0.14 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1c8r h LYS 30 CO -0.02 0.68 0.00 0.41 -2.27 0.00 0.00 179.45 178.25 1c8r n GLY 31 N -1.33 -0.49 3.74 5.01 0.00 0.28 -4.73 105.19 107.67 1c8r n GLY 31 Ca 0.10 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 1c8r n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1c8r s MET 32 N -1.88 4.24 0.00 1.61 -1.94 -0.42 -2.43 119.30 118.48 1c8r s MET 32 Ca 0.20 2.34 0.00 0.00 -1.71 0.00 0.00 55.69 56.52 1c8r s MET 32 Cb 0.10 -3.11 0.00 0.00 2.01 0.00 0.00 34.83 33.83 1c8r s MET 32 CO 0.15 -0.49 0.00 0.41 -0.01 0.00 0.00 175.02 175.08 1c8r n GLY 33 N 2.58 2.84 3.59 -0.03 0.00 -1.26 -5.02 105.19 107.90 1c8r n GLY 33 Ca 0.09 -0.02 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1c8r n GLY 33 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1c8r n VAL 34 N 0.00 1.79 0.00 1.61 0.31 -1.02 -4.88 118.33 116.15 1c8r n VAL 34 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1c8r n VAL 34 Cb 0.00 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1c8r n VAL 34 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1c8r n SER 35 N 1.37 0.81 -4.62 4.52 3.41 -1.26 -4.95 113.62 112.89 1c8r n SER 35 Ca 0.10 -0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.22 1c8r n SER 35 Cb 0.31 0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 64.52 1c8r n SER 35 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1c8r s ASP 36 N -0.45 5.95 0.26 4.04 2.15 -1.26 -4.87 116.67 122.50 1c8r s ASP 36 Ca 0.00 1.89 -0.12 0.00 0.43 0.00 0.00 52.55 54.75 1c8r s ASP 36 Cb 0.00 -2.52 0.36 0.00 -0.30 0.00 0.00 42.92 40.46 1c8r s ASP 36 CO 0.00 -1.56 1.54 -2.65 -0.17 0.00 0.00 175.17 172.32 1c8r n PRO 37 N 8.19 -0.15 -0.11 4.34 -0.01 -1.26 0.40 135.00 146.40 1c8r n PRO 37 Ca 0.24 1.53 -0.09 0.00 -0.01 0.00 0.00 63.50 65.17 1c8r n PRO 37 Cb 0.45 -2.28 -0.02 0.00 -0.01 0.00 0.00 33.50 31.63 1c8r n PRO 37 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 175.50 175.05 1c8r h ASP 38 N 0.00 0.45 -0.74 2.55 5.19 -1.89 -2.40 116.42 119.57 1c8r h ASP 38 Ca 0.42 -0.15 0.04 0.00 -0.62 0.00 0.00 57.03 56.72 1c8r h ASP 38 Cb 0.67 -0.12 -0.05 0.00 0.18 0.00 0.00 39.33 40.01 1c8r h ASP 38 CO -1.00 0.47 0.46 0.00 -3.12 0.00 0.00 179.24 176.05 1c8r h ALA 39 N 0.99 0.98 -0.93 3.45 0.00 -0.39 -1.51 119.26 121.85 1c8r h ALA 39 Ca 0.11 -0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.23 1c8r h ALA 39 Cb 0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 17.79 17.60 1c8r h ALA 39 CO -0.01 0.23 0.47 0.87 0.00 0.00 0.00 179.25 180.82 1c8r h LYS 40 N 0.89 0.47 -0.35 0.00 1.57 0.28 0.14 116.57 119.58 1c8r h LYS 40 Ca 0.31 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1c8r h LYS 40 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1c8r h LYS 40 CO -0.13 0.31 -0.14 0.87 -0.57 0.00 0.00 179.45 179.80 1c8r h LYS 41 N 0.49 0.71 -0.53 3.15 1.57 -0.78 0.15 116.57 121.32 1c8r h LYS 41 Ca 0.58 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.99 1c8r h LYS 41 Cb 1.09 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1c8r h LYS 41 CO -0.49 0.89 0.02 0.74 -0.57 0.00 0.00 179.45 180.04 1c8r h PHE 42 N 0.49 0.95 -0.37 -1.35 0.04 -1.09 0.09 116.94 115.69 1c8r h PHE 42 Ca 0.08 -0.14 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1c8r h PHE 42 Cb 0.66 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1c8r h PHE 42 CO 0.06 0.85 -0.04 1.88 -0.60 0.00 0.00 178.31 180.46 1c8r h TYR 43 N 0.83 0.76 0.22 -0.55 0.05 -0.61 0.22 116.97 117.89 1c8r h TYR 43 Ca 0.16 -0.15 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1c8r h TYR 43 Cb 0.46 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 1c8r h TYR 43 CO 0.03 0.81 -0.31 0.00 -1.05 0.00 0.00 178.16 177.63 1c8r h ALA 44 N 0.85 -0.60 -0.65 3.88 0.00 -0.35 0.17 119.26 122.55 1c8r h ALA 44 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1c8r h ALA 44 Cb 0.53 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1c8r h ALA 44 CO 0.03 -0.88 0.41 0.82 0.00 0.00 0.00 179.25 179.62 1c8r h ILE 45 N -0.60 1.10 0.00 0.00 2.04 -0.94 -0.42 117.51 118.69 1c8r h ILE 45 Ca 0.01 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1c8r h ILE 45 Cb 0.58 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1c8r h ILE 45 CO -0.12 0.15 -0.40 0.74 0.00 0.00 0.00 178.15 178.51 1c8r h THR 46 N 0.81 1.12 0.11 -0.27 2.02 -0.07 -1.55 112.91 115.07 1c8r h THR 46 Ca 0.25 -1.47 -0.30 0.00 0.77 0.00 0.00 66.41 65.66 1c8r h THR 46 Cb -0.01 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.23 1c8r h THR 46 CO -0.09 0.40 -1.53 0.74 0.37 0.00 0.00 175.52 175.41 1c8r h THR 47 N 0.00 1.15 -0.60 3.16 2.02 -0.27 -3.34 112.91 115.03 1c8r h THR 47 Ca -0.00 -2.80 -0.07 0.00 0.77 0.00 0.00 66.41 64.30 1c8r h THR 47 Cb 0.80 2.75 -0.02 0.00 -1.74 0.00 0.00 68.15 69.93 1c8r h THR 47 CO 0.05 0.81 0.08 -0.07 0.37 0.00 0.00 175.52 176.77 1c8r h LEU 48 N 0.06 0.94 0.49 2.58 3.38 -0.86 -2.40 115.31 119.49 1c8r h LEU 48 Ca -0.24 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1c8r h LEU 48 Cb 2.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1c8r h LEU 48 CO 0.16 0.95 -0.32 0.58 0.09 0.00 0.00 178.44 179.90 1c8r h VAL 49 N 0.92 0.35 0.00 1.22 2.07 -1.40 0.38 116.25 119.80 1c8r h VAL 49 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1c8r h VAL 49 Cb 0.42 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1c8r h VAL 49 CO 0.01 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.79 1c8r n PRO 50 N -5.45 0.08 -0.02 1.57 -0.04 -1.23 -1.51 135.00 128.40 1c8r n PRO 50 Ca -0.11 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1c8r n PRO 50 Cb 0.34 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 32.11 1c8r n PRO 50 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1c8r h ALA 51 N 2.71 0.09 -0.60 0.55 0.00 -0.70 0.49 119.26 121.80 1c8r h ALA 51 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1c8r h ALA 51 Cb 0.49 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1c8r h ALA 51 CO 0.00 -0.19 0.37 0.82 0.00 0.00 0.00 179.25 180.25 1c8r h ILE 52 N -0.21 1.07 -0.26 0.00 2.04 -0.80 -1.65 117.51 117.70 1c8r h ILE 52 Ca 0.02 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 1c8r h ILE 52 Cb 0.41 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1c8r h ILE 52 CO 0.01 0.13 -0.24 0.00 0.00 0.00 0.00 178.15 178.05 1c8r h ALA 53 N 1.26 1.10 -0.44 1.87 0.00 -1.13 -0.85 119.26 121.07 1c8r h ALA 53 Ca 0.24 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.89 1c8r h ALA 53 Cb 0.02 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1c8r h ALA 53 CO -0.10 0.56 0.05 0.35 0.00 0.00 0.00 179.25 180.11 1c8r h PHE 54 N 0.44 0.08 -0.08 0.00 3.57 0.44 0.43 116.94 121.81 1c8r h PHE 54 Ca 0.07 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1c8r h PHE 54 Cb 0.65 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 1c8r h PHE 54 CO 0.02 -0.03 -0.36 1.79 -2.23 0.00 0.00 178.31 177.50 1c8r h THR 55 N 0.18 1.28 0.19 4.41 1.35 -0.36 0.13 112.91 120.09 1c8r h THR 55 Ca 0.22 -1.36 -0.32 0.00 -0.55 0.00 0.00 66.41 64.40 1c8r h THR 55 Cb 0.29 1.62 0.02 0.00 -1.73 0.00 0.00 68.15 68.36 1c8r h THR 55 CO -0.32 0.40 -1.47 0.24 -0.25 0.00 0.00 175.52 174.13 1c8r h MET 56 N 0.15 0.40 -0.63 4.72 2.86 -0.48 0.55 114.93 122.49 1c8r h MET 56 Ca 0.02 -0.69 0.09 0.00 -2.06 0.00 0.00 59.70 57.06 1c8r h MET 56 Cb 0.71 0.26 -0.07 0.00 0.06 0.00 0.00 31.60 32.56 1c8r h MET 56 CO 0.05 1.31 0.26 1.88 1.06 0.00 0.00 176.91 181.48 1c8r h TYR 57 N 0.11 0.47 -0.92 -0.22 -1.99 -0.05 0.19 116.97 114.56 1c8r h TYR 57 Ca -0.24 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.51 1c8r h TYR 57 Cb 2.08 -0.11 -0.04 0.00 2.00 0.00 0.00 36.73 40.66 1c8r h TYR 57 CO 0.10 0.14 0.52 1.25 -0.00 0.00 0.00 178.16 180.17 1c8r h LEU 58 N 0.47 1.13 -1.58 3.88 5.85 -0.56 0.20 115.31 124.69 1c8r h LEU 58 Ca 0.31 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1c8r h LEU 58 Cb 0.36 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1c8r h LEU 58 CO -0.29 0.90 0.01 0.77 -0.34 0.00 0.00 178.44 179.50 1c8r h SER 59 N 1.28 0.25 -0.08 1.25 4.64 0.62 0.66 113.55 122.17 1c8r h SER 59 Ca 0.32 -0.03 -0.21 0.00 -0.47 0.00 0.00 61.79 61.41 1c8r h SER 59 Cb 0.00 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1c8r h SER 59 CO -0.05 0.29 -0.75 0.24 -0.87 0.00 0.00 176.83 175.68 1c8r h MET 60 N 0.27 0.65 -0.89 4.77 2.86 0.41 -0.01 114.93 122.99 1c8r h MET 60 Ca 0.07 -0.59 0.06 0.00 -2.06 0.00 0.00 59.70 57.17 1c8r h MET 60 Cb 0.17 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 1c8r h MET 60 CO 0.00 1.20 0.56 1.25 1.06 0.00 0.00 176.91 180.99 1c8r h LEU 61 N 0.31 0.88 -0.40 1.22 5.85 0.16 -1.93 115.31 121.41 1c8r h LEU 61 Ca -0.07 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1c8r h LEU 61 Cb 1.41 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1c8r h LEU 61 CO 0.15 0.56 -0.09 0.18 -0.34 0.00 0.00 178.44 178.91 1c8r n LEU 62 N -4.59 0.71 0.00 2.25 4.77 0.15 -4.92 117.00 115.37 1c8r n LEU 62 Ca 0.13 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1c8r n LEU 62 Cb 0.18 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1c8r n LEU 62 CO 0.31 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1c8r n GLY 63 N 1.22 0.46 0.31 -0.72 0.00 -0.73 -4.93 105.19 100.81 1c8r n GLY 63 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 1c8r n GLY 63 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1c8r h TYR 64 N 0.00 0.89 -0.50 1.61 3.20 -1.51 -2.99 116.97 117.67 1c8r h TYR 64 Ca 0.00 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.66 1c8r h TYR 64 Cb 0.00 -0.26 -0.08 0.00 1.54 0.00 0.00 36.73 37.92 1c8r h TYR 64 CO 0.00 0.72 0.18 0.41 -1.64 0.00 0.00 178.16 177.83 1c8r n GLY 65 N -0.91 2.98 3.31 1.82 0.00 -0.13 -4.81 105.19 107.44 1c8r n GLY 65 Ca 0.04 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1c8r n GLY 65 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c8r s LEU 66 N -2.00 2.27 0.23 0.99 2.96 -1.13 -1.55 118.68 120.45 1c8r s LEU 66 Ca 0.37 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1c8r s LEU 66 Cb 0.30 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.50 1c8r s LEU 66 CO 0.09 0.24 0.07 0.28 -1.32 0.00 0.00 176.35 175.71 1c8r s THR 67 N -0.10 0.60 -0.21 3.68 -1.32 0.56 -4.93 115.64 113.92 1c8r s THR 67 Ca -0.05 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.36 1c8r s THR 67 Cb -0.14 -2.49 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1c8r s THR 67 CO 0.04 -0.14 0.09 -0.04 -2.21 0.00 0.00 174.62 172.36 1c8r s MET 68 N -4.00 3.94 -0.17 7.08 1.00 -1.26 0.70 119.30 126.60 1c8r s MET 68 Ca 0.34 -0.35 0.01 0.00 0.00 0.00 0.00 55.69 55.69 1c8r s MET 68 Cb 0.07 -3.31 0.02 0.00 0.00 0.00 0.00 34.83 31.61 1c8r s MET 68 CO 0.11 0.15 -0.20 0.08 0.00 0.00 0.00 175.02 175.16 1c8r s VAL 69 N 0.74 2.01 -0.15 -6.03 1.01 0.70 -4.87 120.40 113.82 1c8r s VAL 69 Ca 0.05 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1c8r s VAL 69 Cb -0.13 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1c8r s VAL 69 CO 0.02 0.53 1.22 -2.16 0.00 0.00 0.00 175.10 174.71 1c8r s PRO 70 N 1.22 4.27 0.01 2.72 0.04 -1.25 -1.14 135.00 140.86 1c8r s PRO 70 Ca 0.03 1.63 -0.27 0.00 0.04 0.00 0.00 61.00 62.42 1c8r s PRO 70 Cb -0.13 -3.70 0.06 0.00 0.04 0.00 0.00 34.50 30.77 1c8r s PRO 70 CO -0.11 -0.63 0.62 -0.59 0.04 0.00 0.00 177.00 176.33 1c8r s PHE 71 N 3.15 -0.58 -2.11 0.56 -0.12 -0.26 -4.49 117.98 114.14 1c8r s PHE 71 Ca 0.54 0.82 0.00 0.00 -0.05 0.00 0.00 56.93 58.24 1c8r s PHE 71 Cb -0.22 0.42 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 1c8r s PHE 71 CO 0.15 -0.65 0.00 0.41 -0.05 0.00 0.00 175.22 175.08 1c8r n GLY 72 N 0.58 1.61 2.48 1.99 0.00 -1.26 -1.05 105.19 109.54 1c8r n GLY 72 Ca -0.19 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1c8r n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c8r n GLY 73 N -0.54 1.58 3.48 -0.02 0.00 -1.26 -5.00 105.19 103.43 1c8r n GLY 73 Ca -0.21 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.33 1c8r n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c8r s GLU 74 N -3.32 1.70 -0.73 1.61 0.41 -0.22 -5.09 118.70 113.07 1c8r s GLU 74 Ca 0.00 -1.80 -0.17 0.00 -0.41 0.00 0.00 54.97 52.59 1c8r s GLU 74 Cb 0.00 -1.73 0.15 0.00 -1.78 0.00 0.00 34.13 30.77 1c8r s GLU 74 CO 0.00 0.28 0.78 -0.65 -0.49 0.00 0.00 175.26 175.18 1c8r s GLN 75 N -3.54 3.33 -0.20 1.61 -1.52 -1.26 -1.10 119.66 116.97 1c8r s GLN 75 Ca 0.30 -1.83 -0.19 0.00 -1.95 0.00 0.00 55.36 51.69 1c8r s GLN 75 Cb -0.03 -4.45 -0.03 0.00 -0.22 0.00 0.00 33.01 28.28 1c8r s GLN 75 CO 0.15 -1.48 0.53 -0.80 -0.25 0.00 0.00 175.29 173.45 1c8r s ASN 76 N 3.14 6.57 -0.17 5.90 0.01 -0.29 -4.82 114.94 125.28 1c8r s ASN 76 Ca 0.16 0.68 -0.29 0.00 -0.71 0.00 0.00 52.86 52.71 1c8r s ASN 76 Cb -0.17 -2.30 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 1c8r s ASN 76 CO -0.02 -0.20 1.60 -2.16 -1.51 0.00 0.00 177.10 174.81 1c8r s PRO 77 N 1.70 3.93 -0.19 -0.60 0.04 -1.26 -0.21 135.00 138.41 1c8r s PRO 77 Ca 0.24 1.81 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1c8r s PRO 77 Cb -0.15 -4.00 0.03 0.00 0.04 0.00 0.00 34.50 30.41 1c8r s PRO 77 CO 0.10 -1.13 -0.16 0.42 0.04 0.00 0.00 177.00 176.27 1c8r s ILE 78 N 4.77 1.89 -0.96 0.56 -1.09 0.22 -4.88 121.20 121.70 1c8r s ILE 78 Ca 0.71 -0.96 -0.24 0.00 -2.23 0.00 0.00 60.65 57.93 1c8r s ILE 78 Cb -0.27 -1.80 0.02 0.00 -1.58 0.00 0.00 42.46 38.84 1c8r s ILE 78 CO 0.28 0.39 1.56 -0.31 -1.23 0.00 0.00 174.94 175.63 1c8r s TYR 79 N 1.33 2.31 0.04 3.97 2.02 -1.26 -0.32 117.35 125.45 1c8r s TYR 79 Ca 0.02 -0.38 0.21 0.00 -0.37 0.00 0.00 57.07 56.55 1c8r s TYR 79 Cb -0.14 -4.52 0.68 0.00 -0.40 0.00 0.00 41.96 37.57 1c8r s TYR 79 CO -0.11 -1.92 1.72 0.11 -1.57 0.00 0.00 175.55 173.79 1c8r h TRP 80 N 10.32 0.00 0.00 2.71 5.08 -1.64 -2.97 115.95 129.45 1c8r h TRP 80 Ca 0.12 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.09 1c8r h TRP 80 Cb 1.02 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.18 1c8r h TRP 80 CO 1.25 0.29 0.00 0.00 -1.28 0.00 0.00 178.44 178.69 1c8r h ALA 81 N 1.71 1.00 -0.44 0.11 0.00 -1.69 -0.55 119.26 119.41 1c8r h ALA 81 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1c8r h ALA 81 Cb 0.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1c8r h ALA 81 CO 0.04 0.00 0.05 0.00 0.00 0.00 0.00 179.25 179.33 1c8r h ARG 82 N 0.00 0.68 -0.05 0.00 3.08 -1.80 -2.64 114.38 113.66 1c8r h ARG 82 Ca 0.00 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.79 1c8r h ARG 82 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1c8r h ARG 82 CO 0.00 0.67 -0.47 1.88 -1.07 0.00 0.00 179.97 180.98 1c8r h TYR 83 N 0.65 0.15 -0.82 3.04 0.05 -1.32 0.19 116.97 118.91 1c8r h TYR 83 Ca 0.14 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 1c8r h TYR 83 Cb 0.34 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 1c8r h TYR 83 CO 0.02 0.57 0.35 0.00 -1.05 0.00 0.00 178.16 178.05 1c8r h ALA 84 N 1.42 1.06 0.33 3.88 0.00 -1.48 0.44 119.26 124.91 1c8r h ALA 84 Ca 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1c8r h ALA 84 Cb 0.87 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1c8r h ALA 84 CO 0.07 0.66 -0.19 0.22 0.00 0.00 0.00 179.25 180.01 1c8r h ASP 85 N 1.18 -0.47 -0.17 0.00 1.82 -1.26 -3.26 116.42 114.26 1c8r h ASP 85 Ca 0.28 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.93 1c8r h ASP 85 Cb 0.18 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1c8r h ASP 85 CO -0.03 -0.30 0.09 -0.50 -1.61 0.00 0.00 179.24 176.89 1c8r h TRP 86 N -0.48 0.28 -0.67 0.28 6.55 -0.42 0.24 115.95 121.73 1c8r h TRP 86 Ca -0.04 -0.00 0.12 0.00 0.95 0.00 0.00 58.89 59.91 1c8r h TRP 86 Cb 0.38 -0.09 -0.04 0.00 -0.86 0.00 0.00 29.16 28.55 1c8r h TRP 86 CO 0.06 0.22 0.45 1.25 -1.05 0.00 0.00 178.44 179.37 1c8r h LEU 87 N 0.29 0.39 0.01 -4.49 5.85 -0.16 0.13 115.31 117.33 1c8r h LEU 87 Ca 0.07 0.01 -0.39 0.00 0.84 0.00 0.00 57.88 58.42 1c8r h LEU 87 Cb 0.06 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 1c8r h LEU 87 CO -0.01 0.22 -2.44 0.49 -0.34 0.00 0.00 178.44 176.36 1c8r n PHE 88 N -4.47 0.08 0.07 1.25 3.72 -0.72 -4.40 117.46 112.99 1c8r n PHE 88 Ca 0.12 0.02 -0.08 0.00 -0.05 0.00 0.00 57.45 57.45 1c8r n PHE 88 Cb 0.43 -1.01 -0.09 0.00 -0.94 0.00 0.00 39.48 37.87 1c8r n PHE 88 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1c8r h THR 89 N 0.00 1.65 -0.31 4.37 1.35 -0.33 -2.77 112.91 116.86 1c8r h THR 89 Ca -0.57 -3.20 -0.17 0.00 -0.55 0.00 0.00 66.41 61.92 1c8r h THR 89 Cb 1.93 2.78 -0.00 0.00 -1.73 0.00 0.00 68.15 71.13 1c8r h THR 89 CO -0.07 0.92 -0.48 0.71 -0.25 0.00 0.00 175.52 176.35 1c8r h THR 90 N 0.02 1.28 -0.23 6.82 1.35 -0.95 -0.26 112.91 120.94 1c8r h THR 90 Ca -0.03 -1.66 -0.04 0.00 -0.55 0.00 0.00 66.41 64.12 1c8r h THR 90 Cb 1.73 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.68 1c8r h THR 90 CO 0.14 0.54 -0.04 1.55 -0.25 0.00 0.00 175.52 177.46 1c8r h PRO 91 N 0.67 0.35 -0.66 4.72 0.13 -1.73 -0.61 132.00 134.87 1c8r h PRO 91 Ca 0.03 -0.07 -0.06 0.00 -0.87 0.00 0.00 66.00 65.03 1c8r h PRO 91 Cb 1.07 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.12 1c8r h PRO 91 CO 0.11 0.42 0.17 -0.07 -0.23 0.00 0.00 178.00 178.40 1c8r h LEU 92 N 0.34 0.99 -0.44 1.56 3.38 -1.19 0.59 115.31 120.55 1c8r h LEU 92 Ca 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1c8r h LEU 92 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1c8r h LEU 92 CO 0.01 0.96 0.24 -0.07 0.09 0.00 0.00 178.44 179.68 1c8r h LEU 93 N 0.97 0.54 -1.51 1.67 3.38 -0.68 -1.63 115.31 118.06 1c8r h LEU 93 Ca 0.21 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1c8r h LEU 93 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1c8r h LEU 93 CO 0.00 0.47 -0.06 -0.07 0.09 0.00 0.00 178.44 178.86 1c8r h LEU 94 N 0.57 0.22 -1.11 1.67 3.38 -0.63 -1.43 115.31 117.98 1c8r h LEU 94 Ca 0.15 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1c8r h LEU 94 Cb 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1c8r h LEU 94 CO -0.03 0.32 0.19 0.25 0.09 0.00 0.00 178.44 179.27 1c8r h LEU 95 N 0.23 0.75 -0.73 1.67 6.46 0.10 0.85 115.31 124.65 1c8r h LEU 95 Ca 0.05 -0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1c8r h LEU 95 Cb 0.27 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 1c8r h LEU 95 CO 0.01 0.70 0.38 0.78 -0.62 0.00 0.00 178.44 179.69 1c8r h ASN 96 N 0.80 0.93 -0.30 1.25 2.35 -0.38 0.22 115.58 120.46 1c8r h ASN 96 Ca 0.19 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1c8r h ASN 96 Cb 0.21 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1c8r h ASN 96 CO -0.01 0.78 0.07 -0.07 -1.65 0.00 0.00 177.43 176.55 1c8r h LEU 97 N 1.01 0.46 -0.76 1.61 3.38 -1.04 -2.05 115.31 117.92 1c8r h LEU 97 Ca 0.25 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1c8r h LEU 97 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1c8r h LEU 97 CO -0.04 0.58 -0.07 0.00 0.09 0.00 0.00 178.44 179.00 1c8r h ALA 98 N 0.90 0.96 -0.27 1.53 0.00 -0.13 -2.26 119.26 120.00 1c8r h ALA 98 Ca 0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1c8r h ALA 98 Cb 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1c8r h ALA 98 CO 0.00 0.62 0.02 -0.07 0.00 0.00 0.00 179.25 179.82 1c8r h LEU 99 N 0.79 0.45 -0.41 0.00 3.38 -0.57 0.65 115.31 119.59 1c8r h LEU 99 Ca 0.14 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.90 1c8r h LEU 99 Cb 0.57 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 1c8r h LEU 99 CO 0.03 0.63 -0.26 0.25 0.09 0.00 0.00 178.44 179.19 1c8r h LEU 100 N 0.25 -0.87 -1.43 1.67 5.85 -1.06 -0.41 115.31 119.31 1c8r h LEU 100 Ca 0.08 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1c8r h LEU 100 Cb 0.39 0.44 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1c8r h LEU 100 CO 0.01 -0.28 0.00 1.33 -0.34 0.00 0.00 178.44 179.16 1c8r n VAL 101 N -5.40 0.52 -3.48 1.05 0.24 -0.88 -4.94 118.33 105.44 1c8r n VAL 101 Ca 0.02 -0.52 -0.18 0.00 -2.04 0.00 0.00 64.34 61.62 1c8r n VAL 101 Cb 0.32 0.26 0.07 0.00 -1.47 0.00 0.00 33.84 33.02 1c8r n VAL 101 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1c8r n ASP 102 N 0.64 -2.63 -4.76 -1.34 2.03 -0.16 -4.89 116.55 105.43 1c8r n ASP 102 Ca 0.13 -0.70 -0.36 0.00 0.52 0.00 0.00 54.79 54.38 1c8r n ASP 102 Cb 0.33 -4.80 0.01 0.00 -0.72 0.00 0.00 41.12 35.94 1c8r n ASP 102 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1c8r s ALA 103 N -3.45 2.75 0.65 -1.67 0.00 0.21 -4.97 121.76 115.27 1c8r s ALA 103 Ca 0.09 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 1c8r s ALA 103 Cb -0.02 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1c8r s ALA 103 CO 0.76 -0.95 0.83 -0.25 0.00 0.00 0.00 175.76 176.15 1c8r n ASP 104 N -1.11 0.12 -0.13 0.00 8.00 -1.26 -4.82 116.55 117.35 1c8r n ASP 104 Ca 0.11 0.73 0.03 0.00 0.71 0.00 0.00 54.79 56.37 1c8r n ASP 104 Cb 0.49 -1.34 0.34 0.00 -0.02 0.00 0.00 41.12 40.59 1c8r n ASP 104 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1c8r h GLN 105 N 0.12 0.76 0.00 -1.24 4.20 -1.99 -1.41 115.11 115.56 1c8r h GLN 105 Ca -0.47 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.07 1c8r h GLN 105 Cb 1.36 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 1c8r h GLN 105 CO 0.48 0.51 -0.56 0.78 -0.67 0.00 0.00 178.83 179.36 1c8r h GLY 106 N 0.79 0.00 1.57 3.46 0.00 -1.99 0.27 103.07 107.17 1c8r h GLY 106 Ca 0.24 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.37 1c8r h GLY 106 CO -0.06 0.00 -0.83 -0.84 0.00 0.00 0.00 176.54 174.81 1c8r h THR 107 N 0.00 1.39 -0.54 4.70 2.02 -1.83 -0.80 112.91 117.86 1c8r h THR 107 Ca -0.01 -2.30 -0.11 0.00 0.77 0.00 0.00 66.41 64.77 1c8r h THR 107 Cb 1.07 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.72 1c8r h THR 107 CO 0.07 0.69 -0.10 0.40 0.37 0.00 0.00 175.52 176.95 1c8r h ILE 108 N 0.25 1.27 -0.47 3.11 2.04 -0.48 -0.72 117.51 122.52 1c8r h ILE 108 Ca -0.05 -1.24 -0.11 0.00 1.00 0.00 0.00 64.86 64.45 1c8r h ILE 108 Cb 1.43 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1c8r h ILE 108 CO 0.14 0.44 -0.14 0.25 0.00 0.00 0.00 178.15 178.84 1c8r h LEU 109 N 0.89 0.94 -1.20 1.44 5.85 -0.41 -0.56 115.31 122.25 1c8r h LEU 109 Ca 0.14 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1c8r h LEU 109 Cb 0.65 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1c8r h LEU 109 CO 0.05 1.10 0.54 0.00 -0.34 0.00 0.00 178.44 179.78 1c8r h ALA 110 N 0.87 1.43 0.08 1.25 0.00 -0.97 0.26 119.26 122.18 1c8r h ALA 110 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1c8r h ALA 110 Cb 0.70 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1c8r h ALA 110 CO 0.05 0.53 -0.04 -0.07 0.00 0.00 0.00 179.25 179.72 1c8r h LEU 111 N 1.09 -0.09 -0.59 0.00 3.38 -0.68 -0.56 115.31 117.87 1c8r h LEU 111 Ca 0.30 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1c8r h LEU 111 Cb -0.11 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1c8r h LEU 111 CO -0.07 0.43 0.34 0.58 0.09 0.00 0.00 178.44 179.82 1c8r h VAL 112 N -0.65 1.03 -0.12 1.22 2.07 -1.06 0.52 116.25 119.26 1c8r h VAL 112 Ca -0.01 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1c8r h VAL 112 Cb 0.53 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1c8r h VAL 112 CO 0.02 0.12 0.04 1.23 0.02 0.00 0.00 177.57 179.00 1c8r h GLY 113 N 0.67 0.20 0.45 2.17 0.00 -1.00 0.24 103.07 105.81 1c8r h GLY 113 Ca 0.24 -0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.57 1c8r h GLY 113 CO -0.12 0.11 0.53 0.00 0.00 0.00 0.00 176.54 177.06 1c8r h ALA 114 N 0.85 1.33 -0.45 3.60 0.00 -0.77 -0.22 119.26 123.61 1c8r h ALA 114 Ca 0.04 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1c8r h ALA 114 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1c8r h ALA 114 CO -0.00 0.12 -0.15 0.22 0.00 0.00 0.00 179.25 179.43 1c8r h ASP 115 N 0.84 0.86 0.50 0.00 1.82 0.55 0.25 116.42 121.24 1c8r h ASP 115 Ca 0.45 -0.28 -0.11 0.00 -0.39 0.00 0.00 57.03 56.69 1c8r h ASP 115 Cb 0.47 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 1c8r h ASP 115 CO -0.28 1.01 -0.53 1.23 -1.61 0.00 0.00 179.24 179.06 1c8r h GLY 116 N 0.96 0.04 0.83 -0.78 0.00 0.45 -1.35 103.07 103.22 1c8r h GLY 116 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1c8r h GLY 116 CO 0.05 0.04 -0.01 -2.22 0.00 0.00 0.00 176.54 174.39 1c8r h ILE 117 N 0.03 1.26 -0.34 2.60 2.04 -0.34 0.23 117.51 122.99 1c8r h ILE 117 Ca -0.00 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 64.98 1c8r h ILE 117 Cb 0.95 1.43 -0.08 0.00 -0.74 0.00 0.00 36.82 38.38 1c8r h ILE 117 CO 0.07 0.29 -0.48 -0.03 0.00 0.00 0.00 178.15 178.00 1c8r h MET 118 N 0.16 -0.38 -0.23 2.37 4.05 -0.70 0.45 114.93 120.66 1c8r h MET 118 Ca 0.06 0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.40 1c8r h MET 118 Cb 0.43 0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1c8r h MET 118 CO 0.01 -0.25 -0.30 0.82 0.23 0.00 0.00 176.91 177.42 1c8r h ILE 119 N -0.40 1.32 -0.30 1.77 1.08 -1.23 0.17 117.51 119.93 1c8r h ILE 119 Ca 0.10 -1.49 -0.09 0.00 -0.39 0.00 0.00 64.86 62.99 1c8r h ILE 119 Cb 0.61 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.10 1c8r h ILE 119 CO -0.55 0.46 -0.20 1.23 -0.69 0.00 0.00 178.15 178.40 1c8r h GLY 120 N 0.29 0.59 1.84 5.37 0.00 -0.31 0.24 103.07 111.09 1c8r h GLY 120 Ca 0.03 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 46.76 1c8r h GLY 120 CO 0.07 0.42 -0.57 -0.91 0.00 0.00 0.00 176.54 175.55 1c8r h THR 121 N 0.49 1.39 -0.80 4.70 1.35 -0.08 0.15 112.91 120.10 1c8r h THR 121 Ca 0.08 -1.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.02 1c8r h THR 121 Cb 0.63 1.98 -0.04 0.00 -1.73 0.00 0.00 68.15 68.99 1c8r h THR 121 CO 0.04 0.56 0.52 1.23 -0.25 0.00 0.00 175.52 177.63 1c8r h GLY 122 N 1.52 1.14 0.85 5.82 0.00 -0.27 0.66 103.07 112.78 1c8r h GLY 122 Ca -0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 1c8r h GLY 122 CO 0.08 0.43 -0.33 -2.00 0.00 0.00 0.00 176.54 174.72 1c8r h LEU 123 N 1.09 0.58 -0.47 3.11 5.85 0.01 0.35 115.31 125.83 1c8r h LEU 123 Ca 0.29 -0.56 0.04 0.00 0.84 0.00 0.00 57.88 58.50 1c8r h LEU 123 Cb -0.11 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1c8r h LEU 123 CO -0.06 1.03 0.24 0.58 -0.34 0.00 0.00 178.44 179.88 1c8r h VAL 124 N 0.15 0.97 -0.63 1.05 2.07 -0.46 -0.62 116.25 118.78 1c8r h VAL 124 Ca 0.00 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1c8r h VAL 124 Cb 0.93 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1c8r h VAL 124 CO 0.07 0.09 0.34 1.23 0.02 0.00 0.00 177.57 179.32 1c8r h GLY 125 N 0.47 0.93 1.89 2.17 0.00 0.73 -1.18 103.07 108.08 1c8r h GLY 125 Ca 0.20 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1c8r h GLY 125 CO -0.14 0.40 -0.13 0.00 0.00 0.00 0.00 176.54 176.67 1c8r h ALA 126 N 1.49 1.62 -0.02 3.60 0.00 0.11 -2.93 119.26 123.13 1c8r h ALA 126 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1c8r h ALA 126 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1c8r h ALA 126 CO -0.04 0.28 -0.18 1.28 0.00 0.00 0.00 179.25 180.59 1c8r n LEU 127 N -4.32 2.49 -4.73 0.00 4.77 -0.41 -4.96 117.00 109.84 1c8r n LEU 127 Ca -0.01 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.65 1c8r n LEU 127 Cb 0.24 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1c8r n LEU 127 CO 0.37 0.44 0.89 -0.89 -1.33 0.00 0.00 177.39 176.86 1c8r s THR 128 N -2.07 3.78 -1.84 -5.08 2.01 -0.49 -4.92 115.64 107.02 1c8r s THR 128 Ca 0.23 1.38 0.26 0.00 0.31 0.00 0.00 61.69 63.86 1c8r s THR 128 Cb 0.18 -3.88 0.21 0.00 0.01 0.00 0.00 72.50 69.02 1c8r s THR 128 CO 0.39 0.16 1.46 0.29 -0.69 0.00 0.00 174.62 176.23 1c8r n LYS 129 N 3.21 0.94 -3.36 4.92 5.02 -1.26 -4.71 118.16 122.93 1c8r n LYS 129 Ca 0.07 -0.62 -0.42 0.00 -2.02 0.00 0.00 58.31 55.32 1c8r n LYS 129 Cb 0.45 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.89 1c8r n LYS 129 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1c8r s VAL 130 N -2.48 5.13 0.16 -0.18 1.01 -1.26 -4.45 120.40 118.33 1c8r s VAL 130 Ca 0.23 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 1c8r s VAL 130 Cb 0.19 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.71 1c8r s VAL 130 CO 0.53 -0.26 1.65 0.22 0.00 0.00 0.00 175.10 177.24 1c8r h TYR 131 N 8.59 -0.39 -0.74 5.22 3.20 -1.94 -1.20 116.97 129.72 1c8r h TYR 131 Ca -0.28 0.04 0.09 0.00 3.14 0.00 0.00 58.73 61.72 1c8r h TYR 131 Cb 1.13 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.55 1c8r h TYR 131 CO 0.65 -0.23 0.39 0.77 -1.64 0.00 0.00 178.16 178.10 1c8r h SER 132 N -0.10 0.54 0.65 -2.11 0.02 -1.98 -1.85 113.55 108.72 1c8r h SER 132 Ca 0.17 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1c8r h SER 132 Cb 0.36 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1c8r h SER 132 CO -0.40 0.31 -0.05 1.88 -1.14 0.00 0.00 176.83 177.43 1c8r h TYR 133 N 0.67 0.00 -0.97 3.45 0.05 -1.64 -2.03 116.97 116.50 1c8r h TYR 133 Ca 0.36 0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.30 1c8r h TYR 133 Cb 0.35 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.00 1c8r h TYR 133 CO -0.09 0.05 0.61 0.00 -1.05 0.00 0.00 178.16 177.68 1c8r h ARG 134 N 0.00 0.74 0.00 4.88 3.08 -0.98 -0.50 114.38 121.59 1c8r h ARG 134 Ca -0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1c8r h ARG 134 Cb 0.39 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1c8r h ARG 134 CO 0.01 0.49 -0.19 0.74 -1.07 0.00 0.00 179.97 179.95 1c8r h PHE 135 N 0.76 0.00 -0.80 3.04 0.04 -1.48 -1.04 116.94 117.47 1c8r h PHE 135 Ca 0.52 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.24 1c8r h PHE 135 Cb 0.80 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 1c8r h PHE 135 CO -0.00 0.06 0.31 0.28 -0.60 0.00 0.00 178.31 178.36 1c8r h VAL 136 N 0.00 1.26 -0.31 -0.55 2.07 -1.07 -0.73 116.25 116.92 1c8r h VAL 136 Ca -0.00 -0.84 -0.15 0.00 0.82 0.00 0.00 66.70 66.52 1c8r h VAL 136 Cb 1.05 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1c8r h VAL 136 CO 0.01 0.34 -0.42 -0.50 0.02 0.00 0.00 177.57 177.02 1c8r h TRP 137 N 1.17 0.94 -0.51 1.57 4.06 -1.20 -1.01 115.95 120.97 1c8r h TRP 137 Ca 0.27 -0.29 0.09 0.00 2.06 0.00 0.00 58.89 61.01 1c8r h TRP 137 Cb 0.23 -0.20 -0.07 0.00 -1.00 0.00 0.00 29.16 28.12 1c8r h TRP 137 CO 0.02 1.07 0.10 2.35 -3.56 0.00 0.00 178.44 178.41 1c8r h TRP 138 N 0.63 0.15 -0.33 0.49 7.01 -0.97 -0.70 115.95 122.23 1c8r h TRP 138 Ca 0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 1c8r h TRP 138 Cb 0.99 0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.04 1c8r h TRP 138 CO 0.05 -0.01 0.12 0.00 -2.79 0.00 0.00 178.44 175.81 1c8r h ALA 139 N 1.40 0.43 -0.71 2.65 0.00 -0.61 0.34 119.26 122.76 1c8r h ALA 139 Ca 0.25 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1c8r h ALA 139 Cb 0.35 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1c8r h ALA 139 CO -0.34 0.05 0.25 0.82 0.00 0.00 0.00 179.25 180.04 1c8r h ILE 140 N 0.39 1.25 -0.69 0.00 2.04 -0.92 0.84 117.51 120.42 1c8r h ILE 140 Ca 0.11 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.07 1c8r h ILE 140 Cb 0.21 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1c8r h ILE 140 CO -0.01 0.33 0.17 -1.28 0.00 0.00 0.00 178.15 177.37 1c8r h SER 141 N 1.05 1.03 -0.32 1.72 0.87 -0.77 -1.11 113.55 116.01 1c8r h SER 141 Ca 0.24 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.47 1c8r h SER 141 Cb 0.25 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1c8r h SER 141 CO -0.01 0.98 -0.23 0.74 -0.53 0.00 0.00 176.83 177.78 1c8r h THR 142 N 1.04 1.27 -0.33 2.23 2.02 0.18 -0.49 112.91 118.83 1c8r h THR 142 Ca 0.22 -1.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.02 1c8r h THR 142 Cb 0.35 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 1c8r h THR 142 CO 0.00 0.45 0.09 0.00 0.37 0.00 0.00 175.52 176.44 1c8r h ALA 143 N 1.03 1.54 -0.38 6.16 0.00 -0.38 0.53 119.26 127.77 1c8r h ALA 143 Ca 0.09 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1c8r h ALA 143 Cb 0.75 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1c8r h ALA 143 CO 0.06 0.35 -0.24 0.00 0.00 0.00 0.00 179.25 179.41 1c8r h ALA 144 N 1.63 0.87 -0.45 0.00 0.00 -0.51 0.36 119.26 121.16 1c8r h ALA 144 Ca 0.11 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1c8r h ALA 144 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1c8r h ALA 144 CO -0.01 0.63 0.25 1.98 0.00 0.00 0.00 179.25 182.11 1c8r h MET 145 N 0.66 0.62 -0.60 0.00 -1.53 0.19 -0.17 114.93 114.11 1c8r h MET 145 Ca 0.09 -0.07 -0.06 0.00 -3.44 0.00 0.00 59.70 56.22 1c8r h MET 145 Cb 0.75 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.65 1c8r h MET 145 CO 0.06 0.48 0.14 -0.07 0.14 0.00 0.00 176.91 177.66 1c8r h LEU 146 N 0.59 0.89 -0.41 3.39 3.38 0.20 0.10 115.31 123.46 1c8r h LEU 146 Ca 0.16 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1c8r h LEU 146 Cb 0.04 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 1c8r h LEU 146 CO -0.03 0.87 0.11 0.22 0.09 0.00 0.00 178.44 179.70 1c8r h TYR 147 N 0.90 0.18 -0.08 1.13 3.20 -0.48 0.31 116.97 122.14 1c8r h TYR 147 Ca 0.19 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.09 1c8r h TYR 147 Cb 0.33 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1c8r h TYR 147 CO 0.02 0.04 0.03 0.82 -1.64 0.00 0.00 178.16 177.44 1c8r h ILE 148 N 0.25 0.99 -0.88 1.81 2.04 -0.06 0.14 117.51 121.80 1c8r h ILE 148 Ca 0.20 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1c8r h ILE 148 Cb 0.22 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1c8r h ILE 148 CO -0.24 0.01 0.54 -0.07 0.00 0.00 0.00 178.15 178.40 1c8r h LEU 149 N 0.07 1.04 -0.07 1.44 3.38 -0.66 -0.15 115.31 120.36 1c8r h LEU 149 Ca 0.03 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1c8r h LEU 149 Cb 0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 1c8r h LEU 149 CO -0.03 0.78 -0.23 0.22 0.09 0.00 0.00 178.44 179.27 1c8r h TYR 150 N 1.20 -0.62 -0.84 1.13 3.20 0.36 -2.55 116.97 118.86 1c8r h TYR 150 Ca 0.32 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.18 1c8r h TYR 150 Cb -0.08 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1c8r h TYR 150 CO 0.00 -0.32 0.42 0.28 -1.64 0.00 0.00 178.16 176.90 1c8r h VAL 151 N -0.33 1.26 -0.01 1.81 2.07 0.09 0.23 116.25 121.36 1c8r h VAL 151 Ca 0.08 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1c8r h VAL 151 Cb 0.44 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1c8r h VAL 151 CO -0.26 0.30 0.03 -0.07 0.02 0.00 0.00 177.57 177.60 1c8r h LEU 152 N 1.18 0.00 0.00 2.57 3.38 -0.83 0.25 115.31 121.87 1c8r h LEU 152 Ca 0.29 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.03 1c8r h LEU 152 Cb 0.10 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1c8r h LEU 152 CO -0.04 0.00 -1.85 0.49 0.09 0.00 0.00 178.44 177.13 1c8r n PHE 153 N -3.42 0.00 -0.02 1.13 3.72 -0.47 -4.73 117.46 113.69 1c8r n PHE 153 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1c8r n PHE 153 Cb 0.11 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 1c8r n PHE 153 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1c8r n PHE 154 N -2.53 0.00 1.08 1.38 3.72 0.69 -4.75 117.46 117.06 1c8r n PHE 154 Ca -0.21 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.31 1c8r n PHE 154 Cb 0.89 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.62 1c8r n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c8r n GLY 155 N 0.63 -0.82 2.77 1.37 0.00 0.89 -4.99 105.19 105.05 1c8r n GLY 155 Ca 0.00 -0.45 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1c8r n GLY 155 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1c8r n PHE 156 N -1.01 0.26 -0.66 1.61 3.72 -1.24 -5.01 117.46 115.12 1c8r n PHE 156 Ca 0.08 -1.83 -0.02 0.00 -0.05 0.00 0.00 57.45 55.63 1c8r n PHE 156 Cb 0.36 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1c8r n PHE 156 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1c8r n SER 162 N -1.47 -1.18 -4.73 4.37 7.64 -1.26 -5.16 113.62 111.83 1c8r n SER 162 Ca -0.11 -0.79 -0.23 0.00 1.01 0.00 0.00 58.87 58.76 1c8r n SER 162 Cb 0.48 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 1c8r n SER 162 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c8r s MET 163 N 3.27 2.52 0.30 1.43 0.00 -1.26 -5.09 119.30 120.46 1c8r s MET 163 Ca 0.12 -1.33 -0.29 0.00 0.00 0.00 0.00 55.69 54.19 1c8r s MET 163 Cb -0.08 -2.30 -0.10 0.00 0.00 0.00 0.00 34.83 32.35 1c8r s MET 163 CO 0.05 0.31 1.39 -0.98 0.00 0.00 0.00 175.02 175.80 1c8r s ARG 164 N -3.77 4.29 0.50 3.16 1.70 -1.26 -4.72 118.95 118.85 1c8r s ARG 164 Ca 0.34 2.29 0.32 0.00 -0.47 0.00 0.00 55.73 58.21 1c8r s ARG 164 Cb -0.06 -3.08 1.43 0.00 -0.57 0.00 0.00 34.95 32.67 1c8r s ARG 164 CO 0.22 -0.34 1.79 -1.35 -1.08 0.00 0.00 175.30 174.55 1c8r h PRO 165 N 4.15 0.10 -0.09 3.89 0.11 -1.98 0.44 132.00 138.62 1c8r h PRO 165 Ca -0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1c8r h PRO 165 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1c8r h PRO 165 CO 0.71 0.07 -0.04 1.05 -0.21 0.00 0.00 178.00 179.58 1c8r h GLU 166 N 0.11 0.18 -0.36 1.05 4.11 -1.99 -1.18 114.58 116.50 1c8r h GLU 166 Ca 0.57 -0.08 0.01 0.00 0.07 0.00 0.00 59.36 59.94 1c8r h GLU 166 Cb 2.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.28 1c8r h GLU 166 CO -0.09 0.54 0.22 0.28 0.07 0.00 0.00 179.01 180.02 1c8r h VAL 167 N -0.18 1.06 -0.48 -1.06 2.07 -0.60 -1.26 116.25 115.80 1c8r h VAL 167 Ca 0.02 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1c8r h VAL 167 Cb 0.48 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1c8r h VAL 167 CO 0.01 0.08 0.27 0.00 0.02 0.00 0.00 177.57 177.96 1c8r h ALA 168 N 1.15 0.62 -0.40 1.67 0.00 -0.66 0.14 119.26 121.77 1c8r h ALA 168 Ca 0.14 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1c8r h ALA 168 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1c8r h ALA 168 CO -0.05 -0.05 0.20 1.03 0.00 0.00 0.00 179.25 180.39 1c8r h SER 169 N 0.54 0.52 0.19 0.00 0.87 -0.91 0.66 113.55 115.43 1c8r h SER 169 Ca 0.20 -0.12 -0.21 0.00 -1.23 0.00 0.00 61.79 60.43 1c8r h SER 169 Cb 0.05 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1c8r h SER 169 CO -0.11 0.49 -0.83 0.74 -0.53 0.00 0.00 176.83 176.59 1c8r h THR 170 N 0.52 1.36 -0.53 2.23 2.02 -1.11 -1.88 112.91 115.52 1c8r h THR 170 Ca 0.14 -2.22 -0.03 0.00 0.77 0.00 0.00 66.41 65.07 1c8r h THR 170 Cb 0.10 2.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1c8r h THR 170 CO -0.02 0.67 0.20 0.15 0.37 0.00 0.00 175.52 176.90 1c8r h PHE 171 N 0.32 0.82 -0.51 3.16 3.57 -0.40 0.28 116.94 124.17 1c8r h PHE 171 Ca -0.06 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.31 1c8r h PHE 171 Cb 1.44 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1c8r h PHE 171 CO 0.06 0.68 0.03 0.87 -2.23 0.00 0.00 178.31 177.72 1c8r h LYS 172 N 0.72 0.84 0.24 1.11 1.57 0.52 0.85 116.57 122.41 1c8r h LYS 172 Ca 0.18 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1c8r h LYS 172 Cb 0.21 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1c8r h LYS 172 CO -0.01 0.82 -0.11 0.28 -0.57 0.00 0.00 179.45 179.85 1c8r h VAL 173 N 0.79 0.83 -0.68 0.50 2.07 -0.92 0.26 116.25 119.08 1c8r h VAL 173 Ca 0.16 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1c8r h VAL 173 Cb 0.43 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 1c8r h VAL 173 CO 0.02 0.10 0.16 -0.07 0.02 0.00 0.00 177.57 177.79 1c8r h LEU 174 N -0.54 1.04 -1.12 2.57 3.38 -0.33 0.32 115.31 120.62 1c8r h LEU 174 Ca -0.03 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 57.83 1c8r h LEU 174 Cb 0.40 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 1c8r h LEU 174 CO 0.05 1.01 0.61 -0.09 0.09 0.00 0.00 178.44 180.11 1c8r h ARG 175 N 1.03 0.85 -0.33 1.13 2.43 -0.76 0.88 114.38 119.62 1c8r h ARG 175 Ca 0.21 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.26 1c8r h ARG 175 Cb 0.38 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1c8r h ARG 175 CO 0.00 0.56 -0.07 -0.91 -1.51 0.00 0.00 179.97 178.05 1c8r h ASN 176 N 0.88 0.63 -0.92 -3.80 2.35 0.83 -0.39 115.58 115.16 1c8r h ASN 176 Ca 0.47 -0.36 0.04 0.00 -0.55 0.00 0.00 56.30 55.91 1c8r h ASN 176 Cb 0.57 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 1c8r h ASN 176 CO -0.24 0.84 0.60 0.58 -1.65 0.00 0.00 177.43 177.56 1c8r h VAL 177 N 0.41 1.13 -0.08 2.81 2.07 0.12 -1.57 116.25 121.14 1c8r h VAL 177 Ca 0.08 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1c8r h VAL 177 Cb 0.56 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1c8r h VAL 177 CO 0.03 0.21 0.01 0.74 0.02 0.00 0.00 177.57 178.57 1c8r h THR 178 N 1.13 1.23 -0.85 2.57 2.02 0.14 -1.22 112.91 117.94 1c8r h THR 178 Ca 0.37 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1c8r h THR 178 Cb 0.06 1.57 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 1c8r h THR 178 CO -0.12 0.20 0.45 0.58 0.37 0.00 0.00 175.52 177.00 1c8r h VAL 179 N -0.13 1.25 -0.08 3.16 2.07 -0.77 0.31 116.25 122.07 1c8r h VAL 179 Ca 0.02 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 1c8r h VAL 179 Cb 0.31 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1c8r h VAL 179 CO 0.00 0.29 -0.39 0.58 0.02 0.00 0.00 177.57 178.08 1c8r h VAL 180 N 1.19 1.40 -0.08 2.57 2.07 -1.21 -2.55 116.25 119.65 1c8r h VAL 180 Ca 0.30 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 65.97 1c8r h VAL 180 Cb 0.06 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1c8r h VAL 180 CO -0.04 0.51 -0.29 -0.07 0.02 0.00 0.00 177.57 177.70 1c8r h LEU 181 N -0.05 0.39 -2.14 2.57 3.38 -1.12 -3.14 115.31 115.19 1c8r h LEU 181 Ca -0.02 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.31 1c8r h LEU 181 Cb 1.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1c8r h LEU 181 CO 0.08 0.95 -0.07 -0.50 0.09 0.00 0.00 178.44 178.99 1c8r h TRP 182 N -0.15 0.00 0.00 1.13 4.06 -0.47 -0.86 115.95 119.66 1c8r h TRP 182 Ca -0.01 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 1c8r h TRP 182 Cb 0.92 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 1c8r h TRP 182 CO 0.12 0.07 -0.19 0.77 -3.56 0.00 0.00 178.44 175.66 1c8r h SER 183 N 0.00 0.00 0.77 -3.49 0.02 -1.45 -2.56 113.55 106.84 1c8r h SER 183 Ca -0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1c8r h SER 183 Cb 0.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1c8r h SER 183 CO 0.01 0.19 -0.56 0.00 -1.14 0.00 0.00 176.83 175.32 1c8r h ALA 184 N 1.81 0.92 -0.49 3.77 0.00 -1.11 -3.30 119.26 120.87 1c8r h ALA 184 Ca -0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1c8r h ALA 184 Cb 0.81 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1c8r h ALA 184 CO 0.02 0.70 0.29 1.88 0.00 0.00 0.00 179.25 182.15 1c8r h TYR 185 N 0.00 0.64 -0.45 0.00 -1.99 -1.42 -1.22 116.97 112.53 1c8r h TYR 185 Ca -0.01 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 1c8r h TYR 185 Cb 1.10 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 39.60 1c8r h TYR 185 CO 0.00 0.44 0.26 -1.00 -0.00 0.00 0.00 178.16 177.86 1c8r h PRO 186 N 0.65 0.61 -0.42 4.88 0.13 -1.72 -1.39 132.00 134.74 1c8r h PRO 186 Ca 0.17 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 1c8r h PRO 186 Cb -0.01 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 30.97 1c8r h PRO 186 CO -0.03 0.44 0.05 0.28 -0.23 0.00 0.00 178.00 178.50 1c8r h VAL 187 N 0.62 1.25 -0.58 1.56 2.07 -1.50 0.01 116.25 119.68 1c8r h VAL 187 Ca 0.16 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1c8r h VAL 187 Cb -0.01 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1c8r h VAL 187 CO -0.03 0.32 0.29 0.58 0.02 0.00 0.00 177.57 178.75 1c8r h VAL 188 N 0.55 1.20 -0.55 2.57 2.07 -0.94 -0.93 116.25 120.22 1c8r h VAL 188 Ca 0.12 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1c8r h VAL 188 Cb 0.41 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1c8r h VAL 188 CO 0.01 0.22 0.20 -0.25 0.02 0.00 0.00 177.57 177.77 1c8r h TRP 189 N 0.78 0.87 -0.63 1.57 7.01 -1.16 0.51 115.95 124.91 1c8r h TRP 189 Ca 0.20 -0.08 -0.03 0.00 2.11 0.00 0.00 58.89 61.09 1c8r h TRP 189 Cb 0.09 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 1c8r h TRP 189 CO -0.01 0.72 0.28 1.25 -2.79 0.00 0.00 178.44 177.90 1c8r h LEU 190 N 0.76 0.84 0.00 0.65 5.85 -0.61 -2.76 115.31 120.05 1c8r h LEU 190 Ca 0.18 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1c8r h LEU 190 Cb 0.24 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1c8r h LEU 190 CO -0.01 0.76 -0.87 0.16 -0.34 0.00 0.00 178.44 178.13 1c8r h ILE 191 N 0.87 0.00 -1.84 4.05 3.07 -1.00 0.47 117.51 123.13 1c8r h ILE 191 Ca 0.21 -0.96 0.00 0.00 1.55 0.00 0.00 64.86 65.67 1c8r h ILE 191 Cb 0.16 1.51 0.00 0.00 -0.27 0.00 0.00 36.82 38.22 1c8r h ILE 191 CO -0.02 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.69 1c8r n GLY 192 N 1.19 0.18 0.09 0.16 0.00 0.18 -0.09 105.19 106.89 1c8r n GLY 192 Ca 0.01 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.37 1c8r n GLY 192 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c8r n SER 193 N -0.38 0.60 0.21 1.61 3.41 -1.25 -0.90 113.62 116.93 1c8r n SER 193 Ca 0.00 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.32 1c8r n SER 193 Cb 0.00 -0.73 0.29 0.00 -0.26 0.00 0.00 64.21 63.50 1c8r n SER 193 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1c8r h GLU 194 N 0.00 0.00 0.00 4.33 3.07 -1.90 -3.43 114.58 116.64 1c8r h GLU 194 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1c8r h GLU 194 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1c8r h GLU 194 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1c8r n GLY 195 N 0.94 1.78 0.11 -3.84 0.00 -0.59 -4.91 105.19 98.69 1c8r n GLY 195 Ca 0.04 -0.06 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1c8r n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c8r n ALA 196 N -3.00 2.69 -2.34 4.61 0.00 0.16 -4.91 120.51 117.72 1c8r n ALA 196 Ca 0.00 -0.25 -0.16 0.00 0.00 0.00 0.00 53.44 53.03 1c8r n ALA 196 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 1c8r n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c8r n GLY 197 N 1.22 -0.30 0.18 0.00 0.00 -0.08 -4.89 105.19 101.31 1c8r n GLY 197 Ca 0.17 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 1c8r n GLY 197 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1c8r h ILE 198 N -0.05 1.31 -3.34 -0.61 2.04 -0.70 -3.44 117.51 112.72 1c8r h ILE 198 Ca -0.39 -2.38 -0.65 0.00 1.00 0.00 0.00 64.86 62.44 1c8r h ILE 198 Cb 1.29 2.52 -0.24 0.00 -0.74 0.00 0.00 36.82 39.65 1c8r h ILE 198 CO 0.46 0.73 -0.70 -0.69 0.00 0.00 0.00 178.15 177.95 1c8r s VAL 199 N -3.17 3.63 0.78 1.67 1.01 0.16 -5.01 120.40 119.47 1c8r s VAL 199 Ca -0.09 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 1c8r s VAL 199 Cb 0.07 -2.59 0.07 0.00 0.00 0.00 0.00 36.38 33.92 1c8r s VAL 199 CO 0.92 0.48 1.13 -2.84 0.00 0.00 0.00 175.10 174.79 1c8r s PRO 200 N 0.59 2.04 0.34 2.72 0.02 -1.26 -3.78 135.00 135.66 1c8r s PRO 200 Ca -0.04 1.40 0.09 0.00 0.02 0.00 0.00 61.00 62.47 1c8r s PRO 200 Cb -0.15 -1.86 0.81 0.00 0.02 0.00 0.00 34.50 33.33 1c8r s PRO 200 CO 0.03 -1.84 1.83 1.25 -0.33 0.00 0.00 177.00 177.93 1c8r h LEU 201 N -0.96 0.69 -0.51 -5.54 5.85 -1.97 0.47 115.31 113.33 1c8r h LEU 201 Ca -0.45 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.17 1c8r h LEU 201 Cb 1.25 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1c8r h LEU 201 CO 0.49 0.30 -0.70 -0.55 -0.34 0.00 0.00 178.44 177.65 1c8r h ASN 202 N 0.70 0.30 0.01 1.25 7.08 -1.94 0.18 115.58 123.16 1c8r h ASN 202 Ca 0.51 -0.19 -0.19 0.00 -3.08 0.00 0.00 56.30 53.35 1c8r h ASN 202 Cb 0.85 -0.09 -0.00 0.00 -2.08 0.00 0.00 38.32 37.00 1c8r h ASN 202 CO -0.27 0.90 -0.67 0.40 -2.08 0.00 0.00 177.43 175.71 1c8r h ILE 203 N 0.17 1.32 -0.92 6.14 1.08 -1.75 -1.30 117.51 122.26 1c8r h ILE 203 Ca -0.02 -1.94 -0.01 0.00 -0.39 0.00 0.00 64.86 62.50 1c8r h ILE 203 Cb 1.24 1.91 -0.04 0.00 -3.07 0.00 0.00 36.82 36.86 1c8r h ILE 203 CO 0.11 0.60 0.53 -0.08 -0.69 0.00 0.00 178.15 178.62 1c8r h GLU 204 N 0.45 1.26 -0.28 2.37 4.81 -0.49 -0.30 114.58 122.41 1c8r h GLU 204 Ca -0.02 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1c8r h GLU 204 Cb 1.26 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1c8r h GLU 204 CO 0.13 0.90 -0.34 1.15 -0.73 0.00 0.00 179.01 180.12 1c8r h THR 205 N 1.28 1.29 -0.08 0.32 2.02 -0.50 -0.24 112.91 116.99 1c8r h THR 205 Ca 0.33 -1.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 1c8r h THR 205 Cb -0.01 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1c8r h THR 205 CO -0.06 0.47 0.05 0.25 0.37 0.00 0.00 175.52 176.60 1c8r h LEU 206 N 0.51 0.10 -0.60 2.58 5.85 -0.81 0.95 115.31 123.89 1c8r h LEU 206 Ca 0.06 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1c8r h LEU 206 Cb 0.84 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1c8r h LEU 206 CO 0.07 0.12 0.34 -0.07 -0.34 0.00 0.00 178.44 178.56 1c8r h LEU 207 N 0.07 0.51 -0.94 2.25 3.38 -0.77 0.13 115.31 119.94 1c8r h LEU 207 Ca 0.03 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1c8r h LEU 207 Cb 0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1c8r h LEU 207 CO -0.01 0.34 -0.50 -0.26 0.09 0.00 0.00 178.44 178.10 1c8r h PHE 208 N 0.64 0.09 -0.24 1.13 0.04 -0.74 0.75 116.94 118.61 1c8r h PHE 208 Ca 0.26 -0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.95 1c8r h PHE 208 Cb 0.13 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1c8r h PHE 208 CO -0.08 0.56 -0.05 1.98 -0.60 0.00 0.00 178.31 180.13 1c8r h MET 209 N 0.06 0.46 -0.77 1.51 4.05 -0.28 0.28 114.93 120.24 1c8r h MET 209 Ca -0.00 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.25 1c8r h MET 209 Cb 0.91 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.64 1c8r h MET 209 CO 0.07 0.68 0.48 0.28 0.23 0.00 0.00 176.91 178.65 1c8r h VAL 210 N 0.21 1.21 -0.24 -5.77 2.07 -0.32 0.03 116.25 113.43 1c8r h VAL 210 Ca 0.06 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1c8r h VAL 210 Cb 0.50 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1c8r h VAL 210 CO 0.02 0.21 0.08 -0.07 0.02 0.00 0.00 177.57 177.83 1c8r h LEU 211 N 1.04 0.35 -0.11 2.57 3.38 -0.67 -1.60 115.31 120.26 1c8r h LEU 211 Ca 0.28 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1c8r h LEU 211 Cb -0.08 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1c8r h LEU 211 CO -0.06 0.46 0.07 0.44 0.09 0.00 0.00 178.44 179.44 1c8r h ASP 212 N 0.23 0.14 -0.57 -0.43 3.32 -0.20 0.97 116.42 119.88 1c8r h ASP 212 Ca 0.08 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1c8r h ASP 212 Cb 0.23 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1c8r h ASP 212 CO -0.00 0.15 0.35 0.58 -1.72 0.00 0.00 179.24 178.60 1c8r h VAL 213 N 0.11 1.16 -0.30 -1.35 2.07 -1.02 0.06 116.25 116.98 1c8r h VAL 213 Ca 0.04 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1c8r h VAL 213 Cb 0.04 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1c8r h VAL 213 CO -0.01 0.16 -0.24 0.28 0.02 0.00 0.00 177.57 177.79 1c8r h SER 214 N 0.76 0.58 1.27 0.57 0.02 -0.83 0.42 113.55 116.34 1c8r h SER 214 Ca 0.20 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1c8r h SER 214 Cb -0.04 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 1c8r h SER 214 CO -0.04 0.81 -0.05 0.00 -1.14 0.00 0.00 176.83 176.41 1c8r h ALA 215 N 1.23 0.99 0.00 3.77 0.00 0.16 0.10 119.26 125.52 1c8r h ALA 215 Ca 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1c8r h ALA 215 Cb 0.69 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1c8r h ALA 215 CO 0.05 0.07 -0.67 1.63 0.00 0.00 0.00 179.25 180.33 1c8r n LYS 216 N -3.15 0.35 -0.02 0.00 5.02 -0.05 -4.25 118.16 116.07 1c8r n LYS 216 Ca 0.01 0.14 -0.17 0.00 -2.02 0.00 0.00 58.31 56.27 1c8r n LYS 216 Cb 0.40 -1.12 -0.14 0.00 -0.02 0.00 0.00 35.03 34.15 1c8r n LYS 216 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1c8r h VAL 217 N -0.67 1.63 -0.15 -0.18 2.07 -0.40 -0.65 116.25 117.90 1c8r h VAL 217 Ca -0.00 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 1c8r h VAL 217 Cb 0.67 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.69 1c8r h VAL 217 CO -0.00 0.65 0.09 1.23 0.02 0.00 0.00 177.57 179.56 1c8r h GLY 218 N -0.69 0.22 0.23 2.17 0.00 -0.76 0.91 103.07 105.16 1c8r h GLY 218 Ca -0.08 -0.09 0.10 0.00 0.00 0.00 0.00 47.33 47.26 1c8r h GLY 218 CO 0.06 0.09 0.10 -2.75 0.00 0.00 0.00 176.54 174.05 1c8r h PHE 219 N 0.17 0.16 0.00 5.60 3.04 -0.94 -0.61 116.94 124.37 1c8r h PHE 219 Ca 0.05 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 1c8r h PHE 219 Cb 0.03 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.55 1c8r h PHE 219 CO -0.05 -0.03 -0.18 0.78 -2.02 0.00 0.00 178.31 176.81 1c8r h GLY 220 N 0.23 0.00 0.96 2.40 0.00 -0.14 -0.86 103.07 105.67 1c8r h GLY 220 Ca 0.29 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 1c8r h GLY 220 CO -0.38 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.50 1c8r h LEU 221 N 0.00 0.73 -0.73 3.11 3.38 -0.13 0.39 115.31 122.07 1c8r h LEU 221 Ca -0.00 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1c8r h LEU 221 Cb 0.91 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1c8r h LEU 221 CO 0.02 0.91 0.34 0.40 0.09 0.00 0.00 178.44 180.20 1c8r h ILE 222 N 0.54 1.24 -0.17 1.22 2.04 -0.85 -2.68 117.51 118.86 1c8r h ILE 222 Ca 0.10 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 1c8r h ILE 222 Cb 0.58 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1c8r h ILE 222 CO 0.03 0.29 -0.13 0.25 0.00 0.00 0.00 178.15 178.59 1c8r h LEU 223 N 1.02 0.42 0.00 1.44 5.85 -0.90 -3.11 115.31 120.02 1c8r h LEU 223 Ca 0.25 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1c8r h LEU 223 Cb 0.14 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1c8r h LEU 223 CO -0.03 0.78 0.00 0.18 -0.34 0.00 0.00 178.44 179.03 1c8r n LEU 224 N -4.54 0.00 0.02 2.25 4.77 0.14 -2.28 117.00 117.35 1c8r n LEU 224 Ca -0.06 0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 56.04 1c8r n LEU 224 Cb 0.35 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 1c8r n LEU 224 CO 0.39 -0.08 -0.53 0.03 -1.33 0.00 0.00 177.39 175.87 1c8r h ARG 225 N 0.00 0.18 -7.00 3.23 -0.00 -1.41 -3.48 114.38 105.91 1c8r h ARG 225 Ca 0.00 -0.32 -0.49 0.00 -0.50 0.00 0.00 59.98 58.67 1c8r h ARG 225 Cb 0.19 0.12 0.05 0.00 0.00 0.00 0.00 29.97 30.33 1c8r h ARG 225 CO 0.00 0.98 0.45 0.45 0.00 0.00 0.00 179.97 181.84 1c8r s SER 226 N -6.76 6.35 0.00 7.04 0.15 -0.96 -4.93 113.70 114.59 1c8r s SER 226 Ca -0.12 2.18 0.26 0.00 0.70 0.00 0.00 55.95 58.97 1c8r s SER 226 Cb 0.07 -2.59 1.47 0.00 -1.71 0.00 0.00 66.02 63.26 1c8r s SER 226 CO 0.82 -0.78 1.96 -1.14 1.20 0.00 0.00 173.24 175.30 1c8r n ARG 227 N -0.44 1.11 0.32 5.44 3.00 -1.26 -3.59 116.66 121.24 1c8r n ARG 227 Ca 0.07 -0.16 0.19 0.00 -0.00 0.00 0.00 57.85 57.95 1c8r n ARG 227 Cb 0.49 -1.42 1.06 0.00 0.00 0.00 0.00 32.46 32.59 1c8r n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1c8r h ALA 228 N 3.89 1.29 0.00 5.13 0.00 -1.89 -1.96 119.26 125.72 1c8r h ALA 228 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c8r h ALA 228 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1c8r h ALA 228 CO 0.00 -0.01 -0.05 0.44 0.00 0.00 0.00 179.25 179.63 1c8r n ILE 229 N -3.47 0.10 -3.64 0.00 -5.35 -1.24 -4.82 119.36 100.94 1c8r n ILE 229 Ca -0.03 -0.05 -0.35 0.00 -0.27 0.00 0.00 62.75 62.05 1c8r n ILE 229 Cb 0.09 -0.45 -0.05 0.00 -1.74 0.00 0.00 39.64 37.48 1c8r n ILE 229 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1c8r s PHE 230 N -3.02 3.61 -2.00 4.28 0.08 -0.74 -2.04 117.98 118.15 1c8r s PHE 230 Ca 0.13 0.74 0.01 0.00 0.12 0.00 0.00 56.93 57.93 1c8r s PHE 230 Cb 0.18 -2.11 0.04 0.00 -0.57 0.00 0.00 43.02 40.56 1c8r s PHE 230 CO 0.56 0.58 0.54 0.41 -0.10 0.00 0.00 175.22 177.21