#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m0g h LEU 3 N 0.00 0.93 -0.84 2.46 5.85 -1.98 -0.27 115.31 121.47 3m0g h LEU 3 Ca 0.00 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3m0g h LEU 3 Cb 0.00 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.73 3m0g h LEU 3 CO 0.00 0.82 0.52 -1.28 -0.34 0.00 0.00 178.44 178.16 3m0g h SER 4 N 1.00 0.82 1.33 1.25 0.87 -2.00 0.13 113.55 116.94 3m0g h SER 4 Ca 0.24 0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.67 3m0g h SER 4 Cb 0.17 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 3m0g h SER 4 CO -0.02 0.53 -0.67 -0.08 -0.53 0.00 0.00 176.83 176.06 3m0g h GLU 5 N 0.95 0.00 -0.24 2.24 4.57 -1.95 -2.72 114.58 117.44 3m0g h GLU 5 Ca 0.36 0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.36 3m0g h GLU 5 Cb 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3m0g h GLU 5 CO -0.17 0.67 -0.59 -0.09 -1.18 0.00 0.00 179.01 177.65 3m0g h ARG 6 N 0.00 0.78 -0.32 1.92 2.43 -0.43 -1.91 114.38 116.85 3m0g h ARG 6 Ca -0.01 -0.52 -0.12 0.00 -0.81 0.00 0.00 59.98 58.53 3m0g h ARG 6 Cb 1.51 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 31.13 3m0g h ARG 6 CO 0.09 1.14 -0.26 1.25 -1.51 0.00 0.00 179.97 180.68 3m0g h LEU 7 N 0.58 0.78 -0.90 3.80 5.85 -0.83 -2.35 115.31 122.26 3m0g h LEU 7 Ca 0.00 -0.45 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 3m0g h LEU 7 Cb 1.19 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3m0g h LEU 7 CO 0.12 1.07 -0.04 0.50 -0.34 0.00 0.00 178.44 179.75 3m0g h LYS 8 N 0.51 0.77 -0.06 1.25 3.64 -1.47 0.51 116.57 121.72 3m0g h LYS 8 Ca 0.06 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 3m0g h LYS 8 Cb 0.82 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 3m0g h LYS 8 CO 0.07 0.81 -0.34 0.93 -2.27 0.00 0.00 179.45 178.64 3m0g h GLU 9 N 0.71 0.11 -0.16 1.90 5.08 -1.37 -1.00 114.58 119.85 3m0g h GLU 9 Ca 0.13 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.24 3m0g h GLU 9 Cb 0.50 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.75 3m0g h GLU 9 CO 0.03 0.44 -0.74 0.28 -1.00 0.00 0.00 179.01 178.02 3m0g h VAL 10 N 0.10 1.29 -0.61 3.13 2.07 -0.94 -3.00 116.25 118.29 3m0g h VAL 10 Ca 0.01 -1.96 -0.09 0.00 0.82 0.00 0.00 66.70 65.49 3m0g h VAL 10 Cb 0.66 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.35 3m0g h VAL 10 CO 0.05 0.62 0.04 1.56 0.02 0.00 0.00 177.57 179.86 3m0g h GLN 11 N 0.52 1.03 -0.31 1.57 4.20 0.49 -0.57 115.11 122.05 3m0g h GLN 11 Ca -0.04 -0.30 -0.17 0.00 0.06 0.00 0.00 58.65 58.21 3m0g h GLN 11 Cb 1.36 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 3m0g h GLN 11 CO 0.15 0.99 -0.46 -0.44 -0.67 0.00 0.00 178.83 178.39 3m0g h ASP 12 N 0.96 0.89 -0.18 1.46 3.32 -1.32 -1.67 116.42 119.87 3m0g h ASP 12 Ca 0.18 -0.44 -0.21 0.00 0.02 0.00 0.00 57.03 56.58 3m0g h ASP 12 Cb 0.50 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.80 3m0g h ASP 12 CO 0.02 1.21 -0.70 0.00 -1.72 0.00 0.00 179.24 178.05 3m0g h ALA 13 N 0.82 0.37 -0.22 3.45 0.00 -1.36 -2.28 119.26 120.03 3m0g h ALA 13 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3m0g h ALA 13 Cb 1.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3m0g h ALA 13 CO 0.10 0.69 0.09 0.28 0.00 0.00 0.00 179.25 180.41 3m0g h VAL 14 N 0.58 1.16 -0.75 0.00 2.07 -1.18 -2.35 116.25 115.77 3m0g h VAL 14 Ca -0.03 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.11 3m0g h VAL 14 Cb 1.33 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 3m0g h VAL 14 CO 0.15 0.16 0.38 -0.08 0.02 0.00 0.00 177.57 178.20 3m0g h GLU 15 N 0.22 0.61 -0.11 1.57 4.57 -1.23 -2.65 114.58 117.55 3m0g h GLU 15 Ca 0.08 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 3m0g h GLU 15 Cb 0.16 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3m0g h GLU 15 CO -0.01 0.40 -0.16 1.15 -1.18 0.00 0.00 179.01 179.22 3m0g h THR 16 N 0.62 1.37 0.00 0.32 2.02 -1.45 -2.32 112.91 113.48 3m0g h THR 16 Ca 0.38 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 66.17 3m0g h THR 16 Cb 0.42 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 3m0g h THR 16 CO -0.29 0.40 0.00 0.00 0.37 0.00 0.00 175.52 176.00 3m0g n ALA 17 N -2.43 1.47 0.00 6.16 0.00 -0.89 -1.47 120.51 123.35 3m0g n ALA 17 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3m0g n ALA 17 Cb 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3m0g n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m0g n ALA 19 N 0.69 0.00 -0.19 0.00 0.00 -0.87 -1.75 120.51 118.38 3m0g n ALA 19 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3m0g n ALA 19 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.53 3m0g n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m0g h ALA 20 N 0.00 0.74 -0.29 0.00 0.00 -1.54 0.52 119.26 118.69 3m0g h ALA 20 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3m0g h ALA 20 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3m0g h ALA 20 CO 0.00 0.58 0.19 0.00 0.00 0.00 0.00 179.25 180.02 3m0g h ALA 21 N 0.96 0.37 -0.06 0.00 0.00 -1.61 -2.78 119.26 116.14 3m0g h ALA 21 Ca 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 3m0g h ALA 21 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3m0g h ALA 21 CO 0.03 -0.16 -0.70 0.82 0.00 0.00 0.00 179.25 179.24 3m0g h ILE 22 N 0.39 1.41 -0.01 0.00 2.04 -1.81 -3.18 117.51 116.35 3m0g h ILE 22 Ca 0.11 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 63.80 3m0g h ILE 22 Cb -0.04 2.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 3m0g h ILE 22 CO -0.02 0.64 0.02 1.23 0.00 0.00 0.00 178.15 180.02 3m0g h GLY 23 N 1.50 0.00 1.62 5.37 0.00 -0.68 -2.00 103.07 108.88 3m0g h GLY 23 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3m0g h GLY 23 CO 0.11 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.69 3m0g n ARG 24 N -3.88 0.37 -1.87 4.80 1.85 -1.07 -4.84 116.66 112.02 3m0g n ARG 24 Ca -0.03 0.01 -0.31 0.00 -1.00 0.00 0.00 57.85 56.52 3m0g n ARG 24 Cb 0.10 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.02 3m0g n ARG 24 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3m0g s LEU 25 N -2.62 3.24 0.67 2.89 1.43 -0.75 -5.03 118.68 118.50 3m0g s LEU 25 Ca 0.26 1.44 -0.17 0.00 -1.03 0.00 0.00 54.13 54.63 3m0g s LEU 25 Cb 0.20 -4.47 -0.00 0.00 0.03 0.00 0.00 46.19 41.94 3m0g s LEU 25 CO 0.46 -0.89 1.17 -2.65 0.23 0.00 0.00 176.35 174.66 3m0g n PRO 26 N -2.73 0.86 -1.37 1.29 -0.02 -1.26 -4.99 135.00 126.78 3m0g n PRO 26 Ca 0.06 0.35 -0.30 0.00 -2.02 0.00 0.00 63.50 61.59 3m0g n PRO 26 Cb 0.54 -2.40 0.11 0.00 -0.02 0.00 0.00 33.50 31.72 3m0g n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m0g s ALA 27 N -1.56 1.99 0.00 3.55 0.00 -1.26 -4.57 121.76 119.91 3m0g s ALA 27 Ca 0.79 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3m0g s ALA 27 Cb -0.37 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3m0g s ALA 27 CO 0.44 -1.95 0.00 0.41 0.00 0.00 0.00 175.76 174.66 3m0g n GLY 28 N -1.57 1.01 0.32 0.00 0.00 -1.26 -4.81 105.19 98.87 3m0g n GLY 28 Ca 0.07 -1.95 0.03 0.00 0.00 0.00 0.00 46.02 44.17 3m0g n GLY 28 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3m0g h ASP 29 N 0.00 0.57 -0.47 1.61 5.19 -1.98 -1.99 116.42 119.35 3m0g h ASP 29 Ca 0.00 -0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.31 3m0g h ASP 29 Cb 0.00 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 3m0g h ASP 29 CO 0.00 0.44 -0.01 0.25 -3.12 0.00 0.00 179.24 176.79 3m0g h LEU 30 N 0.67 0.82 -0.48 1.55 5.85 -1.93 0.84 115.31 122.63 3m0g h LEU 30 Ca 0.18 -0.31 -0.16 0.00 0.84 0.00 0.00 57.88 58.42 3m0g h LEU 30 Cb -0.04 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3m0g h LEU 30 CO -0.03 0.94 -0.76 -0.09 -0.34 0.00 0.00 178.44 178.15 3m0g h ARG 31 N 0.69 0.01 -0.15 1.25 2.43 -1.76 -3.00 114.38 113.84 3m0g h ARG 31 Ca 0.13 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3m0g h ARG 31 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3m0g h ARG 31 CO 0.03 0.76 0.06 -0.44 -1.51 0.00 0.00 179.97 178.88 3m0g h ASP 32 N 0.01 0.20 0.00 -3.80 5.19 -1.05 -1.67 116.42 115.29 3m0g h ASP 32 Ca -0.01 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3m0g h ASP 32 Cb 1.34 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.80 3m0g h ASP 32 CO 0.10 0.28 0.00 0.00 -3.12 0.00 0.00 179.24 176.50 3m0g n ALA 33 N -2.21 1.40 0.00 3.45 0.00 0.26 -2.07 120.51 121.34 3m0g n ALA 33 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3m0g n ALA 33 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3m0g n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m0g n ALA 35 N 0.62 0.00 -0.21 0.00 0.00 -0.63 -1.48 120.51 118.80 3m0g n ALA 35 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3m0g n ALA 35 Cb 0.05 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.53 3m0g n ALA 35 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3m0g h TYR 36 N 0.00 0.94 -0.30 0.00 3.20 -1.67 -1.65 116.97 117.48 3m0g h TYR 36 Ca 0.00 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.65 3m0g h TYR 36 Cb 0.00 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 3m0g h TYR 36 CO 0.00 0.76 -0.38 0.00 -1.64 0.00 0.00 178.16 176.90 3m0g h ALA 37 N 1.07 0.76 -0.00 1.82 0.00 -1.53 -3.03 119.26 118.34 3m0g h ALA 37 Ca 0.20 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3m0g h ALA 37 Cb 0.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3m0g h ALA 37 CO -0.01 0.66 -0.32 0.00 0.00 0.00 0.00 179.25 179.57 3m0g n ALA 38 N -2.52 3.18 -1.95 0.00 0.00 -1.17 -4.85 120.51 113.20 3m0g n ALA 38 Ca -0.02 -0.33 -0.41 0.00 0.00 0.00 0.00 53.44 52.68 3m0g n ALA 38 Cb 0.52 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 3m0g n ALA 38 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3m0g s GLN 39 N -2.76 4.63 2.58 0.00 0.74 -0.63 -4.90 119.66 119.31 3m0g s GLN 39 Ca 0.18 1.73 0.00 0.00 0.05 0.00 0.00 55.36 57.32 3m0g s GLN 39 Cb 0.19 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 31.04 3m0g s GLN 39 CO 0.59 0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.89 3m0g n GLY 40 N 1.76 -0.26 0.00 2.59 0.00 -1.26 -5.01 105.19 103.01 3m0g n GLY 40 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3m0g n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m0g n GLY 41 N 0.00 0.01 0.17 -0.02 0.00 -1.26 -4.73 105.19 99.36 3m0g n GLY 41 Ca 0.00 -1.73 0.13 0.00 0.00 0.00 0.00 46.02 44.42 3m0g n GLY 41 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3m0g h LYS 42 N 0.00 0.00 -3.62 1.61 2.10 -2.01 -3.48 116.57 111.17 3m0g h LYS 42 Ca 0.00 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 3m0g h LYS 42 Cb 0.00 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.37 3m0g h LYS 42 CO 0.00 0.00 -0.50 0.54 -2.00 0.00 0.00 179.45 177.49 3m0g n ARG 43 N -2.64 -3.71 -0.17 0.07 5.12 -1.26 -4.88 116.66 109.19 3m0g n ARG 43 Ca 0.04 0.79 -0.02 0.00 -1.93 0.00 0.00 57.85 56.73 3m0g n ARG 43 Cb 0.42 -5.34 0.07 0.00 -1.16 0.00 0.00 32.46 26.45 3m0g n ARG 43 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3m0g h LEU 44 N -0.99 0.05 -0.36 0.55 5.85 -1.99 0.15 115.31 118.57 3m0g h LEU 44 Ca -0.45 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.31 3m0g h LEU 44 Cb 1.31 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 3m0g h LEU 44 CO 0.48 0.05 0.05 0.03 -0.34 0.00 0.00 178.44 178.71 3m0g h ARG 45 N 0.27 0.61 -0.64 1.25 3.08 -1.97 0.12 114.38 117.11 3m0g h ARG 45 Ca 0.26 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.19 3m0g h ARG 45 Cb 0.34 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3m0g h ARG 45 CO -0.32 0.69 0.37 0.00 -1.07 0.00 0.00 179.97 179.63 3m0g h ALA 46 N 0.90 0.85 -0.41 0.04 0.00 -1.68 -1.70 119.26 117.26 3m0g h ALA 46 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3m0g h ALA 46 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3m0g h ALA 46 CO 0.01 0.06 0.22 0.35 0.00 0.00 0.00 179.25 179.89 3m0g h PHE 47 N 0.69 0.57 -0.81 0.00 3.57 -0.03 -1.36 116.94 119.57 3m0g h PHE 47 Ca 0.28 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.84 3m0g h PHE 47 Cb 0.14 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.63 3m0g h PHE 47 CO -0.07 0.44 0.48 -0.07 -2.23 0.00 0.00 178.31 176.86 3m0g h LEU 48 N 0.54 0.72 -0.29 0.59 3.38 -0.62 0.55 115.31 120.18 3m0g h LEU 48 Ca 0.15 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.09 3m0g h LEU 48 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3m0g h LEU 48 CO -0.02 0.45 -0.05 0.00 0.09 0.00 0.00 178.44 178.91 3m0g h ALA 49 N 1.41 0.40 -0.38 1.53 0.00 -0.95 -0.94 119.26 120.33 3m0g h ALA 49 Ca 0.37 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3m0g h ALA 49 Cb 0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3m0g h ALA 49 CO -0.20 0.19 -0.22 0.82 0.00 0.00 0.00 179.25 179.85 3m0g h ILE 50 N 0.31 1.27 0.00 0.00 2.04 -0.86 -2.29 117.51 117.99 3m0g h ILE 50 Ca 0.08 -1.31 -0.19 0.00 1.00 0.00 0.00 64.86 64.43 3m0g h ILE 50 Cb 0.52 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 3m0g h ILE 50 CO 0.02 0.44 -1.03 -0.33 0.00 0.00 0.00 178.15 177.25 3m0g h GLU 51 N 0.65 0.00 -0.05 2.37 4.39 -0.88 -2.43 114.58 118.62 3m0g h GLU 51 Ca 0.09 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.67 3m0g h GLU 51 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3m0g h GLU 51 CO 0.05 0.73 -0.52 0.66 -1.16 0.00 0.00 179.01 178.77 3m0g h SER 52 N 0.00 0.15 -0.30 1.42 4.64 -1.06 -2.46 113.55 115.94 3m0g h SER 52 Ca -0.07 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 61.00 3m0g h SER 52 Cb 1.70 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3m0g h SER 52 CO 0.10 0.65 -0.48 0.00 -0.87 0.00 0.00 176.83 176.23 3m0g h ALA 53 N 1.36 0.54 -0.22 5.18 0.00 -1.37 -3.16 119.26 121.59 3m0g h ALA 53 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3m0g h ALA 53 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3m0g h ALA 53 CO 0.08 0.68 -0.06 0.00 0.00 0.00 0.00 179.25 179.95 3m0g h ALA 54 N 0.75 1.49 0.00 0.00 0.00 -1.33 0.37 119.26 120.55 3m0g h ALA 54 Ca 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 3m0g h ALA 54 Cb 1.07 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3m0g h ALA 54 CO 0.11 0.36 -0.27 0.97 0.00 0.00 0.00 179.25 180.42 3m0g h ILE 55 N 0.33 0.85 -0.70 0.00 -0.00 -1.41 -1.89 117.51 114.70 3m0g h ILE 55 Ca 0.07 -1.09 0.00 0.00 -0.00 0.00 0.00 64.86 63.84 3m0g h ILE 55 Cb 0.32 1.65 0.00 0.00 -0.00 0.00 0.00 36.82 38.79 3m0g h ILE 55 CO 0.01 0.27 0.00 1.41 -0.00 0.00 0.00 178.15 179.84 3m0g n HIS 56 N -3.71 0.98 -1.15 2.19 8.25 -0.39 -4.94 115.22 116.45 3m0g n HIS 56 Ca -0.01 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 3m0g n HIS 56 Cb 0.38 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.47 3m0g n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3m0g n GLY 57 N 1.53 0.52 3.61 -1.41 0.00 -0.65 -4.98 105.19 103.81 3m0g n GLY 57 Ca 0.24 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 3m0g n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m0g s ILE 58 N -2.00 4.78 0.00 -0.61 1.01 0.12 -4.96 121.20 119.53 3m0g s ILE 58 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.62 3m0g s ILE 58 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.29 3m0g s ILE 58 CO 0.00 0.43 0.00 -1.54 0.00 0.00 0.00 174.94 173.83 3m0g n SER 59 N 3.85 0.00 0.00 3.58 3.41 -1.26 -3.04 113.62 120.16 3m0g n SER 59 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 3m0g n SER 59 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3m0g n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m0g n ALA 61 N -3.00 0.00 0.21 7.33 0.00 -1.26 -1.71 120.51 122.08 3m0g n ALA 61 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3m0g n ALA 61 Cb 0.00 0.00 0.41 0.00 0.00 0.00 0.00 19.45 19.86 3m0g n ALA 61 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3m0g h GLN 62 N 0.00 0.00 -2.78 0.00 4.20 -1.93 -3.41 115.11 111.20 3m0g h GLN 62 Ca 0.00 0.00 -0.79 0.00 0.06 0.00 0.00 58.65 57.92 3m0g h GLN 62 Cb 0.00 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.55 3m0g h GLN 62 CO 0.00 0.29 1.34 0.00 -0.67 0.00 0.00 178.83 179.80 3m0g n ALA 63 N -2.26 5.74 0.00 3.87 0.00 -0.69 -4.00 120.51 123.17 3m0g n ALA 63 Ca -0.00 -4.55 0.00 0.00 0.00 0.00 0.00 53.44 48.89 3m0g n ALA 63 Cb 0.46 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3m0g n ALA 63 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3m0g n PRO 65 N 1.43 0.00 0.03 0.00 -0.02 -1.26 -2.14 135.00 133.03 3m0g n PRO 65 Ca 0.40 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.70 3m0g n PRO 65 Cb 0.30 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.70 3m0g n PRO 65 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m0g h ALA 66 N 0.00 0.24 -0.21 3.55 0.00 -1.88 0.35 119.26 121.31 3m0g h ALA 66 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.25 3m0g h ALA 66 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3m0g h ALA 66 CO 0.00 0.71 0.12 0.00 0.00 0.00 0.00 179.25 180.08 3m0g h ALA 67 N 0.53 0.26 -0.45 0.00 0.00 -1.74 -1.80 119.26 116.07 3m0g h ALA 67 Ca -0.10 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3m0g h ALA 67 Cb 1.58 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3m0g h ALA 67 CO 0.18 -0.28 0.22 -0.07 0.00 0.00 0.00 179.25 179.30 3m0g h LEU 68 N 0.26 0.30 -0.48 0.00 3.38 -1.83 -2.69 115.31 114.25 3m0g h LEU 68 Ca 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3m0g h LEU 68 Cb -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3m0g h LEU 68 CO -0.04 0.22 0.27 0.00 0.09 0.00 0.00 178.44 178.98 3m0g h ALA 69 N 1.25 0.61 -0.34 1.53 0.00 -0.53 0.13 119.26 121.90 3m0g h ALA 69 Ca 0.20 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3m0g h ALA 69 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3m0g h ALA 69 CO -0.15 0.12 -0.31 -0.24 0.00 0.00 0.00 179.25 178.68 3m0g h VAL 70 N 0.64 1.28 -0.57 0.00 3.04 -1.39 0.18 116.25 119.42 3m0g h VAL 70 Ca 0.17 -1.45 -0.07 0.00 -1.01 0.00 0.00 66.70 64.34 3m0g h VAL 70 Cb 0.03 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 30.63 3m0g h VAL 70 CO -0.03 0.48 0.08 -0.33 -1.01 0.00 0.00 177.57 176.76 3m0g h GLU 71 N 0.63 0.92 -0.21 4.17 4.39 -1.18 0.43 114.58 123.72 3m0g h GLU 71 Ca 0.07 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3m0g h GLU 71 Cb 0.83 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3m0g h GLU 71 CO 0.07 0.86 0.02 0.00 -1.16 0.00 0.00 179.01 178.80 3m0g h ALA 72 N 1.22 0.29 -0.25 3.43 0.00 -0.45 -0.84 119.26 122.65 3m0g h ALA 72 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3m0g h ALA 72 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3m0g h ALA 72 CO 0.01 -0.02 0.16 1.25 0.00 0.00 0.00 179.25 180.65 3m0g h LEU 73 N 0.15 0.29 -0.68 0.00 7.12 -0.90 -1.89 115.31 119.40 3m0g h LEU 73 Ca 0.06 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.07 3m0g h LEU 73 Cb 0.35 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.37 3m0g h LEU 73 CO 0.01 0.21 0.45 -0.74 -0.13 0.00 0.00 178.44 178.24 3m0g h HIS 74 N 0.34 0.85 -0.69 1.25 2.76 -0.84 -2.31 115.15 116.50 3m0g h HIS 74 Ca 0.09 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.21 3m0g h HIS 74 Cb -0.03 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.61 3m0g h HIS 74 CO -0.06 0.53 0.16 0.00 -1.30 0.00 0.00 177.93 177.26 3m0g h ALA 75 N 1.25 0.97 -0.76 5.26 0.00 -1.05 -2.13 119.26 122.80 3m0g h ALA 75 Ca 0.25 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3m0g h ALA 75 Cb -0.10 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3m0g h ALA 75 CO -0.05 0.66 0.37 0.10 0.00 0.00 0.00 179.25 180.33 3m0g h TYR 76 N 1.05 1.06 -0.51 0.00 -0.00 -1.18 -2.00 116.97 115.40 3m0g h TYR 76 Ca 0.22 -0.04 -0.10 0.00 -0.00 0.00 0.00 58.73 58.81 3m0g h TYR 76 Cb 0.38 -0.33 -0.02 0.00 -0.00 0.00 0.00 36.73 36.76 3m0g h TYR 76 CO 0.03 0.76 -0.09 0.66 -0.00 0.00 0.00 178.16 179.53 3m0g h SER 77 N 1.07 0.92 0.28 0.10 4.64 -0.83 -2.39 113.55 117.33 3m0g h SER 77 Ca 0.26 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3m0g h SER 77 Cb 0.09 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3m0g h SER 77 CO -0.04 1.03 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.75 3m0g h LEU 78 N 0.84 -0.32 -0.52 5.97 3.38 -1.18 -0.05 115.31 123.42 3m0g h LEU 78 Ca 0.14 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.21 3m0g h LEU 78 Cb 0.62 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 3m0g h LEU 78 CO 0.04 -0.23 0.07 0.58 0.09 0.00 0.00 178.44 178.99 3m0g h VAL 79 N -0.38 0.66 -0.13 1.22 2.07 -1.19 0.14 116.25 118.65 3m0g h VAL 79 Ca -0.04 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 3m0g h VAL 79 Cb 0.29 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3m0g h VAL 79 CO 0.06 0.04 -0.08 0.45 0.02 0.00 0.00 177.57 178.06 3m0g h HIS 80 N 0.19 0.32 0.00 1.57 3.86 -1.38 -3.27 115.15 116.44 3m0g h HIS 80 Ca 0.27 -0.08 -0.04 0.00 -1.16 0.00 0.00 60.37 59.35 3m0g h HIS 80 Cb 0.38 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 3m0g h HIS 80 CO -0.26 0.63 -0.20 -0.44 0.86 0.00 0.00 177.93 178.52 3m0g h ASP 81 N -0.09 0.00 0.00 2.45 3.32 -0.52 -3.45 116.42 118.13 3m0g h ASP 81 Ca 0.03 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3m0g h ASP 81 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3m0g h ASP 81 CO 0.02 0.20 0.04 0.47 -1.72 0.00 0.00 179.24 178.25 3m0g n ASP 82 N -4.03 2.23 0.01 6.45 8.00 0.46 -0.20 116.55 129.47 3m0g n ASP 82 Ca -0.02 -1.69 -0.17 0.00 0.71 0.00 0.00 54.79 53.62 3m0g n ASP 82 Cb 0.28 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 40.73 3m0g n ASP 82 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 3m0g h PRO 84 N 3.34 0.19 -0.18 -0.24 0.11 -1.93 -1.71 132.00 131.58 3m0g h PRO 84 Ca 0.02 -0.33 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3m0g h PRO 84 Cb 0.49 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3m0g h PRO 84 CO 0.12 0.99 0.00 0.00 -0.21 0.00 0.00 178.00 178.90 3m0g h ASP 87 N 0.03 0.00 -5.93 0.00 3.32 -0.83 -3.53 116.42 109.48 3m0g h ASP 87 Ca 0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 3m0g h ASP 87 Cb 0.09 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.76 3m0g h ASP 87 CO 0.00 0.00 -0.90 -3.20 -1.72 0.00 0.00 179.24 173.42 3m0g n ASN 88 N -2.85 -5.18 -4.76 6.45 4.05 -1.08 -4.99 115.26 106.91 3m0g n ASN 88 Ca -0.02 -0.88 -0.36 0.00 0.45 0.00 0.00 54.58 53.77 3m0g n ASN 88 Cb 0.34 -4.13 -0.08 0.00 1.23 0.00 0.00 39.78 37.14 3m0g n ASN 88 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 3m0g s ASP 89 N -3.57 6.14 0.06 1.20 1.01 -0.67 -4.96 116.67 115.87 3m0g s ASP 89 Ca 0.40 0.29 0.14 0.00 0.71 0.00 0.00 52.55 54.09 3m0g s ASP 89 Cb -0.11 -2.03 -0.15 0.00 1.01 0.00 0.00 42.92 41.64 3m0g s ASP 89 CO 0.81 0.27 0.90 0.44 0.21 0.00 0.00 175.17 177.80 3m0g h ASP 90 N 6.02 0.00 -4.37 0.27 3.32 -1.94 -3.43 116.42 116.28 3m0g h ASP 90 Ca -0.46 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.15 3m0g h ASP 90 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.50 3m0g h ASP 90 CO 0.68 0.76 -0.79 -0.76 -1.72 0.00 0.00 179.24 177.41 3m0g s LEU 91 N -6.08 2.22 -0.09 1.55 1.02 -1.26 -1.67 118.68 114.37 3m0g s LEU 91 Ca -0.02 -0.53 -0.05 0.00 0.02 0.00 0.00 54.13 53.55 3m0g s LEU 91 Cb 0.08 -0.60 0.04 0.00 0.02 0.00 0.00 46.19 45.74 3m0g s LEU 91 CO 0.81 -0.00 0.20 -0.60 0.02 0.00 0.00 176.35 176.78 3m0g s ARG 92 N -1.41 0.17 -1.30 1.70 3.52 0.11 -4.76 118.95 116.98 3m0g s ARG 92 Ca 0.01 0.43 -0.18 0.00 -0.13 0.00 0.00 55.73 55.85 3m0g s ARG 92 Cb -0.09 -0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.21 3m0g s ARG 92 CO 0.02 -0.14 0.53 0.54 -0.81 0.00 0.00 175.30 175.44 3m0g n ARG 93 N 4.00 -1.24 -0.74 5.12 1.74 -1.26 -1.45 116.66 122.83 3m0g n ARG 93 Ca -0.24 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3m0g n ARG 93 Cb 0.53 -3.53 0.00 0.00 -1.02 0.00 0.00 32.46 28.44 3m0g n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3m0g n GLY 94 N -2.06 0.42 3.22 -0.13 0.00 -1.26 -4.98 105.19 100.40 3m0g n GLY 94 Ca -0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 3m0g n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m0g s LEU 95 N 0.00 2.32 0.27 0.99 1.43 -0.53 -5.10 118.68 118.06 3m0g s LEU 95 Ca 0.00 -0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 52.12 3m0g s LEU 95 Cb 0.00 -0.62 -0.13 0.00 0.03 0.00 0.00 46.19 45.47 3m0g s LEU 95 CO 0.00 -0.06 1.36 -2.65 0.23 0.00 0.00 176.35 175.23 3m0g n PRO 96 N 1.04 2.05 -0.80 1.29 -0.02 -1.26 0.05 135.00 137.35 3m0g n PRO 96 Ca -0.19 0.73 -0.30 0.00 -2.02 0.00 0.00 63.50 61.72 3m0g n PRO 96 Cb 0.55 -2.35 0.19 0.00 -0.02 0.00 0.00 33.50 31.86 3m0g n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3m0g s THR 97 N -0.41 2.26 0.24 3.45 -4.23 -0.67 -4.68 115.64 111.59 3m0g s THR 97 Ca 0.64 0.08 -0.05 0.00 -1.18 0.00 0.00 61.69 61.18 3m0g s THR 97 Cb -0.62 -2.26 0.20 0.00 1.34 0.00 0.00 72.50 71.16 3m0g s THR 97 CO 0.54 -0.11 1.79 0.58 -0.54 0.00 0.00 174.62 176.88 3m0g h VAL 98 N -2.02 0.87 0.00 2.29 2.07 -1.92 -0.92 116.25 116.61 3m0g h VAL 98 Ca -0.51 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3m0g h VAL 98 Cb 1.29 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3m0g h VAL 98 CO 0.48 0.13 -0.12 1.12 0.02 0.00 0.00 177.57 179.20 3m0g h HIS 99 N 0.70 0.00 0.07 1.57 2.07 -1.90 -0.24 115.15 117.42 3m0g h HIS 99 Ca 0.38 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.90 3m0g h HIS 99 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 3m0g h HIS 99 CO -0.08 0.12 -0.03 0.87 -3.07 0.00 0.00 177.93 175.74 3m0g h LYS 100 N 0.00 -0.09 -0.60 5.12 1.79 -1.66 -3.23 116.57 117.90 3m0g h LYS 100 Ca -0.00 0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.39 3m0g h LYS 100 Cb 0.72 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 3m0g h LYS 100 CO 0.02 0.41 0.05 -0.22 -1.08 0.00 0.00 179.45 178.63 3m0g h LYS 101 N -0.94 1.02 0.00 3.15 3.64 -1.14 -3.42 116.57 118.88 3m0g h LYS 101 Ca -0.01 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3m0g h LYS 101 Cb 0.54 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3m0g h LYS 101 CO 0.02 0.97 0.00 0.91 -2.27 0.00 0.00 179.45 179.08 3m0g n TRP 102 N -4.20 0.00 -3.97 1.91 8.01 -0.11 -5.10 117.44 113.99 3m0g n TRP 102 Ca 0.03 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 56.10 3m0g n TRP 102 Cb 0.31 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.60 3m0g n TRP 102 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.69 176.84 3m0g s ASP 103 N -0.79 0.58 0.24 -0.99 1.47 -1.22 -4.92 116.67 111.05 3m0g s ASP 103 Ca 0.00 -1.37 -0.05 0.00 1.18 0.00 0.00 52.55 52.31 3m0g s ASP 103 Cb 0.00 0.75 0.26 0.00 -0.34 0.00 0.00 42.92 43.60 3m0g s ASP 103 CO 0.00 -1.49 1.84 0.44 0.68 0.00 0.00 175.17 176.64 3m0g h ASP 104 N 2.05 1.03 -0.33 2.11 5.19 -1.90 -1.88 116.42 122.69 3m0g h ASP 104 Ca -0.30 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 55.97 3m0g h ASP 104 Cb 1.24 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 3m0g h ASP 104 CO 0.40 0.88 0.13 0.00 -3.12 0.00 0.00 179.24 177.52 3m0g h ALA 105 N 1.28 0.43 -0.32 3.45 0.00 -1.96 -1.96 119.26 120.17 3m0g h ALA 105 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3m0g h ALA 105 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3m0g h ALA 105 CO -0.03 0.03 -0.03 1.15 0.00 0.00 0.00 179.25 180.37 3m0g h THR 106 N 0.39 1.20 -0.32 0.00 2.02 -1.88 -1.55 112.91 112.77 3m0g h THR 106 Ca 0.11 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.44 3m0g h THR 106 Cb 0.19 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 3m0g h THR 106 CO -0.01 0.28 0.08 0.00 0.37 0.00 0.00 175.52 176.23 3m0g h ALA 107 N 1.49 0.43 0.17 6.16 0.00 -1.13 0.94 119.26 127.32 3m0g h ALA 107 Ca 0.10 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3m0g h ALA 107 Cb 0.36 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3m0g h ALA 107 CO 0.01 0.10 -0.39 0.28 0.00 0.00 0.00 179.25 179.25 3m0g h VAL 108 N 0.36 0.21 -0.50 0.00 2.07 -0.97 -2.01 116.25 115.41 3m0g h VAL 108 Ca 0.10 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.52 3m0g h VAL 108 Cb 0.30 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3m0g h VAL 108 CO 0.00 0.00 -0.11 -0.07 0.02 0.00 0.00 177.57 177.41 3m0g h LEU 109 N -0.65 0.93 -0.81 2.57 3.38 -1.27 -1.04 115.31 118.41 3m0g h LEU 109 Ca 0.02 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3m0g h LEU 109 Cb 0.66 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 3m0g h LEU 109 CO -0.20 1.04 0.18 0.00 0.09 0.00 0.00 178.44 179.56 3m0g h ALA 110 N 1.04 1.03 -0.29 1.53 0.00 -0.81 0.64 119.26 122.40 3m0g h ALA 110 Ca 0.13 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3m0g h ALA 110 Cb 0.64 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3m0g h ALA 110 CO 0.04 0.64 -0.16 0.78 0.00 0.00 0.00 179.25 180.55 3m0g h GLY 111 N 1.07 0.67 0.50 0.00 0.00 -1.22 0.38 103.07 104.49 3m0g h GLY 111 Ca 0.22 -0.62 0.04 0.00 0.00 0.00 0.00 47.33 46.96 3m0g h GLY 111 CO -0.00 0.56 -0.15 -0.55 0.00 0.00 0.00 176.54 176.40 3m0g h ASP 112 N 0.36 -0.47 0.69 0.19 3.32 -0.97 -1.75 116.42 117.80 3m0g h ASP 112 Ca 0.06 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3m0g h ASP 112 Cb 0.69 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3m0g h ASP 112 CO 0.05 -0.20 -0.31 0.00 -1.72 0.00 0.00 179.24 177.06 3m0g h ALA 113 N 0.81 1.11 -0.34 3.45 0.00 -0.71 -2.73 119.26 120.86 3m0g h ALA 113 Ca 0.08 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3m0g h ALA 113 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3m0g h ALA 113 CO -0.22 0.38 -0.26 -0.07 0.00 0.00 0.00 179.25 179.08 3m0g h LEU 114 N 0.00 0.70 -0.47 0.00 3.38 -0.42 -1.20 115.31 117.30 3m0g h LEU 114 Ca -0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 3m0g h LEU 114 Cb 0.74 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3m0g h LEU 114 CO 0.04 0.93 0.13 -0.61 0.09 0.00 0.00 178.44 179.03 3m0g h GLN 115 N 0.59 0.74 -0.85 1.13 4.15 -1.07 -2.04 115.11 117.76 3m0g h GLN 115 Ca 0.08 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.30 3m0g h GLN 115 Cb 0.76 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 3m0g h GLN 115 CO 0.06 0.71 0.40 1.15 -1.93 0.00 0.00 178.83 179.23 3m0g h THR 116 N 0.62 1.26 -0.52 2.39 2.02 -1.35 -2.32 112.91 115.02 3m0g h THR 116 Ca 0.15 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3m0g h THR 116 Cb 0.29 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3m0g h THR 116 CO -0.00 0.32 0.24 0.25 0.37 0.00 0.00 175.52 176.69 3m0g h LEU 117 N 1.21 0.66 -0.79 2.58 5.85 -1.10 -1.46 115.31 122.25 3m0g h LEU 117 Ca 0.29 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 3m0g h LEU 117 Cb 0.12 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3m0g h LEU 117 CO -0.04 0.57 0.31 0.00 -0.34 0.00 0.00 178.44 178.94 3m0g h ALA 118 N 1.53 1.03 -0.31 1.25 0.00 -0.81 -0.63 119.26 121.32 3m0g h ALA 118 Ca 0.18 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3m0g h ALA 118 Cb 0.10 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3m0g h ALA 118 CO -0.02 0.67 -0.44 0.74 0.00 0.00 0.00 179.25 180.19 3m0g h PHE 119 N 1.16 1.04 -0.46 0.00 0.04 -1.22 -2.89 116.94 114.61 3m0g h PHE 119 Ca 0.26 -0.35 0.07 0.00 2.80 0.00 0.00 57.97 60.76 3m0g h PHE 119 Cb 0.23 -0.21 -0.06 0.00 2.20 0.00 0.00 35.95 38.12 3m0g h PHE 119 CO 0.02 1.16 0.10 1.49 -0.60 0.00 0.00 178.31 180.48 3m0g h GLU 120 N 0.62 0.24 -0.92 1.51 4.81 -1.10 -2.66 114.58 117.08 3m0g h GLU 120 Ca 0.03 -0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.43 3m0g h GLU 120 Cb 1.04 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.26 3m0g h GLU 120 CO 0.10 0.16 0.50 -0.07 -0.73 0.00 0.00 179.01 178.97 3m0g h LEU 121 N 0.24 0.60 -1.34 1.64 4.07 -0.96 -1.55 115.31 118.01 3m0g h LEU 121 Ca 0.22 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.29 3m0g h LEU 121 Cb 0.28 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3m0g h LEU 121 CO -0.28 0.20 0.00 0.00 -1.08 0.00 0.00 178.44 177.27 3m0g n THR 123 N -2.38 0.00 -1.68 0.00 -2.24 -0.58 -4.75 114.28 102.66 3m0g n THR 123 Ca -0.00 -0.09 -0.48 0.00 -2.27 0.00 0.00 64.05 61.21 3m0g n THR 123 Cb 0.12 0.46 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 3m0g n THR 123 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3m0g n ASP 124 N -0.95 3.30 0.14 3.42 -0.08 -0.94 -4.86 116.55 116.56 3m0g n ASP 124 Ca 0.09 1.01 0.18 0.00 -1.51 0.00 0.00 54.79 54.56 3m0g n ASP 124 Cb 0.35 -1.38 0.77 0.00 2.34 0.00 0.00 41.12 43.21 3m0g n ASP 124 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3m0g h PRO 125 N 8.19 0.00 0.00 -0.67 0.11 -1.92 -2.01 132.00 135.71 3m0g h PRO 125 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3m0g h PRO 125 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3m0g h PRO 125 CO 0.93 0.00 -0.03 -0.24 -0.21 0.00 0.00 178.00 178.45 3m0g h VAL 126 N 0.00 0.34 0.00 3.15 3.04 -1.92 -2.24 116.25 118.62 3m0g h VAL 126 Ca 0.15 -0.19 -0.04 0.00 -1.01 0.00 0.00 66.70 65.60 3m0g h VAL 126 Cb 0.75 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 3m0g h VAL 126 CO -0.00 0.03 -0.20 -0.07 -1.01 0.00 0.00 177.57 176.32 3m0g h LEU 127 N 0.00 0.00 0.00 3.16 3.38 -1.49 -3.43 115.31 116.93 3m0g h LEU 127 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m0g h LEU 127 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3m0g h LEU 127 CO 0.00 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.35 3m0g n GLY 128 N -0.37 0.37 3.72 0.83 0.00 -0.84 -4.95 105.19 103.95 3m0g n GLY 128 Ca -0.01 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 3m0g n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3m0g s SER 129 N -4.00 4.15 0.25 1.61 1.04 -1.26 -4.81 113.70 110.69 3m0g s SER 129 Ca 0.00 2.29 -0.05 0.00 0.48 0.00 0.00 55.95 58.66 3m0g s SER 129 Cb 0.00 -2.58 0.28 0.00 0.10 0.00 0.00 66.02 63.82 3m0g s SER 129 CO 0.00 -2.29 1.93 0.00 0.98 0.00 0.00 173.24 173.86 3m0g h ALA 130 N -0.46 1.30 -0.81 5.32 0.00 -1.98 -1.63 119.26 121.00 3m0g h ALA 130 Ca -0.47 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3m0g h ALA 130 Cb 1.29 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3m0g h ALA 130 CO 0.49 0.64 0.53 0.93 0.00 0.00 0.00 179.25 181.84 3m0g h GLU 131 N 1.34 1.03 -0.10 0.00 3.07 -2.00 -0.22 114.58 117.70 3m0g h GLU 131 Ca 0.38 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.04 3m0g h GLU 131 Cb -0.12 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.55 3m0g h GLU 131 CO -0.09 0.68 -0.51 -0.91 -1.40 0.00 0.00 179.01 176.78 3m0g h ASN 132 N 1.06 0.31 -0.37 1.42 4.21 -1.80 -2.35 115.58 118.06 3m0g h ASN 132 Ca 0.31 -0.16 -0.11 0.00 1.21 0.00 0.00 56.30 57.55 3m0g h ASN 132 Cb -0.07 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.03 3m0g h ASN 132 CO -0.09 0.77 -0.21 0.03 -1.29 0.00 0.00 177.43 176.65 3m0g h ARG 133 N 0.23 0.79 -0.32 0.81 3.08 -0.70 -0.25 114.38 118.02 3m0g h ARG 133 Ca 0.01 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.61 3m0g h ARG 133 Cb 0.98 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 3m0g h ARG 133 CO 0.08 0.99 -0.16 -0.24 -1.07 0.00 0.00 179.97 179.57 3m0g h VAL 134 N 0.59 1.25 -0.59 2.04 3.04 -1.05 -0.14 116.25 121.38 3m0g h VAL 134 Ca 0.08 -1.13 -0.06 0.00 -1.01 0.00 0.00 66.70 64.58 3m0g h VAL 134 Cb 0.76 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 31.20 3m0g h VAL 134 CO 0.06 0.37 0.14 0.00 -1.01 0.00 0.00 177.57 177.13 3m0g h ALA 135 N 1.32 0.78 -0.66 3.17 0.00 -1.38 -1.24 119.26 121.26 3m0g h ALA 135 Ca 0.09 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3m0g h ALA 135 Cb 0.57 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3m0g h ALA 135 CO 0.04 0.49 0.43 1.25 0.00 0.00 0.00 179.25 181.46 3m0g h LEU 136 N 0.85 0.76 0.30 0.00 5.85 -0.37 -2.02 115.31 120.68 3m0g h LEU 136 Ca 0.18 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3m0g h LEU 136 Cb 0.36 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3m0g h LEU 136 CO 0.00 0.56 -0.14 0.58 -0.34 0.00 0.00 178.44 179.10 3m0g h VAL 137 N 0.89 0.72 -0.45 1.05 2.07 -0.89 -0.82 116.25 118.82 3m0g h VAL 137 Ca 0.24 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.70 3m0g h VAL 137 Cb -0.09 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 3m0g h VAL 137 CO -0.05 0.02 0.20 0.00 0.02 0.00 0.00 177.57 177.76 3m0g h ALA 138 N 0.24 0.56 -0.85 1.67 0.00 -1.15 -1.12 119.26 118.61 3m0g h ALA 138 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3m0g h ALA 138 Cb 0.34 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3m0g h ALA 138 CO 0.07 -0.18 0.47 0.00 0.00 0.00 0.00 179.25 179.61 3m0g h ALA 139 N 1.27 1.24 -0.26 0.00 0.00 -1.33 0.14 119.26 120.31 3m0g h ALA 139 Ca 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3m0g h ALA 139 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3m0g h ALA 139 CO -0.17 0.62 0.08 1.25 0.00 0.00 0.00 179.25 181.03 3m0g h LEU 140 N 1.18 0.38 -0.75 0.00 5.85 -0.58 -2.06 115.31 119.34 3m0g h LEU 140 Ca 0.30 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.71 3m0g h LEU 140 Cb 0.01 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3m0g h LEU 140 CO -0.05 0.49 -0.17 0.00 -0.34 0.00 0.00 178.44 178.38 3m0g h ALA 141 N 0.91 0.93 -0.70 1.25 0.00 -0.89 -0.70 119.26 120.06 3m0g h ALA 141 Ca 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3m0g h ALA 141 Cb 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3m0g h ALA 141 CO -0.00 0.62 0.35 1.96 0.00 0.00 0.00 179.25 182.17 3m0g h GLN 142 N 0.69 1.00 -0.11 0.00 4.20 -0.71 -2.44 115.11 117.73 3m0g h GLN 142 Ca 0.11 -0.14 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 3m0g h GLN 142 Cb 0.66 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 3m0g h GLN 142 CO 0.05 0.77 -0.62 0.00 -0.67 0.00 0.00 178.83 178.36 3m0g h ALA 143 N 1.17 0.72 0.00 3.87 0.00 -1.15 -3.31 119.26 120.56 3m0g h ALA 143 Ca 0.24 -0.55 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 3m0g h ALA 143 Cb 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3m0g h ALA 143 CO -0.03 0.72 -1.75 0.43 0.00 0.00 0.00 179.25 178.62 3m0g n SER 144 N -3.89 0.51 -0.90 0.00 7.64 -0.29 -4.32 113.62 112.37 3m0g n SER 144 Ca -0.03 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3m0g n SER 144 Cb 0.64 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 64.50 3m0g n SER 144 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3m0g n GLY 145 N 1.46 1.48 0.00 0.23 0.00 -0.93 -2.64 105.19 104.80 3m0g n GLY 145 Ca -0.15 -1.81 0.04 0.00 0.00 0.00 0.00 46.02 44.10 3m0g n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m0g n ALA 146 N -3.00 1.74 0.74 4.61 0.00 -1.26 0.31 120.51 123.65 3m0g n ALA 146 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.47 3m0g n ALA 146 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 3m0g n ALA 146 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3m0g n GLU 147 N -1.06 1.64 0.00 0.00 1.02 -1.26 -4.49 120.64 116.49 3m0g n GLU 147 Ca 0.06 -0.79 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 3m0g n GLU 147 Cb 0.03 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3m0g n GLU 147 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m0g n GLY 148 N 1.18 -0.00 0.00 0.62 0.00 0.15 -4.92 105.19 102.22 3m0g n GLY 148 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3m0g n GLY 148 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3m0g n VAL 150 N -2.09 0.00 -0.04 1.61 0.31 -1.07 -1.03 118.33 116.02 3m0g n VAL 150 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 3m0g n VAL 150 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 3m0g n VAL 150 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 3m0g h TYR 151 N 0.00 -0.31 -0.57 3.52 3.20 -1.74 -0.20 116.97 120.86 3m0g h TYR 151 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3m0g h TYR 151 Cb 0.00 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3m0g h TYR 151 CO 0.00 -0.19 0.29 0.78 -1.64 0.00 0.00 178.16 177.39 3m0g h GLY 152 N -0.12 0.85 1.53 1.82 0.00 -1.35 -1.61 103.07 104.20 3m0g h GLY 152 Ca 0.12 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 3m0g h GLY 152 CO -0.28 0.37 -0.29 -1.61 0.00 0.00 0.00 176.54 174.73 3m0g h GLN 153 N 0.80 0.54 -0.17 4.80 5.75 -1.67 -1.73 115.11 123.43 3m0g h GLN 153 Ca 0.20 -0.22 -0.16 0.00 -0.15 0.00 0.00 58.65 58.32 3m0g h GLN 153 Cb 0.06 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 3m0g h GLN 153 CO -0.03 0.77 -0.55 0.00 -2.65 0.00 0.00 178.83 176.37 3m0g h ALA 154 N 1.23 0.72 -0.46 3.38 0.00 -0.73 -2.15 119.26 121.26 3m0g h ALA 154 Ca 0.06 -0.51 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3m0g h ALA 154 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3m0g h ALA 154 CO 0.06 0.69 -0.20 -0.07 0.00 0.00 0.00 179.25 179.73 3m0g h LEU 155 N 0.39 0.93 -0.21 0.00 3.38 -1.25 -2.88 115.31 115.66 3m0g h LEU 155 Ca 0.01 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3m0g h LEU 155 Cb 1.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3m0g h LEU 155 CO 0.10 1.10 0.11 -0.78 0.09 0.00 0.00 178.44 179.06 3m0g h ASP 156 N 0.80 0.18 -0.77 -0.43 3.58 -1.09 -1.63 116.42 117.05 3m0g h ASP 156 Ca 0.11 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.58 3m0g h ASP 156 Cb 0.75 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.73 3m0g h ASP 156 CO 0.06 0.13 0.51 0.40 -2.88 0.00 0.00 179.24 177.46 3m0g h ILE 157 N 0.24 1.19 -0.26 2.25 1.08 -1.37 -2.43 117.51 118.20 3m0g h ILE 157 Ca 0.09 -0.35 -0.14 0.00 -0.39 0.00 0.00 64.86 64.06 3m0g h ILE 157 Cb 0.01 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.82 3m0g h ILE 157 CO -0.05 0.19 -0.40 0.00 -0.69 0.00 0.00 178.15 177.19 3m0g h ALA 158 N 1.52 0.81 -0.34 1.87 0.00 -1.27 -3.31 119.26 118.54 3m0g h ALA 158 Ca 0.28 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3m0g h ALA 158 Cb -0.11 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 3m0g h ALA 158 CO -0.06 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.75 3m0g h ALA 159 N 1.05 0.22 0.00 0.00 0.00 -0.78 -2.45 119.26 117.29 3m0g h ALA 159 Ca 0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3m0g h ALA 159 Cb 0.92 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3m0g h ALA 159 CO 0.08 -0.46 0.00 -0.85 0.00 0.00 0.00 179.25 178.02 3m0g n GLU 160 N -5.27 0.64 0.00 0.00 0.28 -1.21 -1.90 120.64 113.18 3m0g n GLU 160 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 3m0g n GLU 160 Cb 0.19 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 31.77 3m0g n GLU 160 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 3m0g n THR 161 N -0.79 0.29 -1.72 3.84 5.66 -0.96 -5.10 114.28 115.50 3m0g n THR 161 Ca 0.09 -0.42 -0.31 0.00 -3.05 0.00 0.00 64.05 60.36 3m0g n THR 161 Cb 0.04 1.06 0.03 0.00 -1.55 0.00 0.00 70.33 69.91 3m0g n THR 161 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3m0g s ALA 162 N -0.29 2.88 0.17 1.79 0.00 -0.80 -4.98 121.76 120.53 3m0g s ALA 162 Ca 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.81 3m0g s ALA 162 Cb 0.00 -3.13 0.12 0.00 0.00 0.00 0.00 23.12 20.11 3m0g s ALA 162 CO 0.00 -0.96 1.70 0.00 0.00 0.00 0.00 175.76 176.50 3m0g h ALA 163 N -0.51 0.38 -2.36 0.00 0.00 -1.92 -3.43 119.26 111.43 3m0g h ALA 163 Ca -0.44 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 3m0g h ALA 163 Cb 1.20 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 19.03 3m0g h ALA 163 CO 0.59 -0.39 -0.69 0.14 0.00 0.00 0.00 179.25 178.91 3m0g s VAL 164 N -6.18 0.27 0.46 0.00 -7.23 -1.26 -5.15 120.40 101.32 3m0g s VAL 164 Ca -0.13 -1.69 -0.20 0.00 -1.81 0.00 0.00 61.98 58.14 3m0g s VAL 164 Cb 0.14 -1.35 -0.13 0.00 0.56 0.00 0.00 36.38 35.59 3m0g s VAL 164 CO 0.71 -0.91 0.27 -2.65 -0.31 0.00 0.00 175.10 172.21 3m0g n PRO 165 N 0.32 0.27 -1.19 4.82 -0.02 -1.26 -4.98 135.00 132.96 3m0g n PRO 165 Ca -0.15 0.10 -0.30 0.00 -2.02 0.00 0.00 63.50 61.13 3m0g n PRO 165 Cb 0.60 -1.29 0.12 0.00 -0.02 0.00 0.00 33.50 32.91 3m0g n PRO 165 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3m0g s LEU 166 N 3.01 2.60 0.52 2.45 1.02 -1.26 -5.00 118.68 122.02 3m0g s LEU 166 Ca 0.62 1.67 0.07 0.00 0.02 0.00 0.00 54.13 56.51 3m0g s LEU 166 Cb -0.56 -4.20 0.05 0.00 0.02 0.00 0.00 46.19 41.50 3m0g s LEU 166 CO 0.60 -2.43 0.71 0.28 0.02 0.00 0.00 176.35 175.54 3m0g s THR 167 N -2.90 2.56 0.12 5.49 -1.32 -1.26 -4.81 115.64 113.52 3m0g s THR 167 Ca 0.63 -0.93 -0.33 0.00 -1.21 0.00 0.00 61.69 59.84 3m0g s THR 167 Cb -0.18 -2.63 -0.12 0.00 -1.51 0.00 0.00 72.50 68.07 3m0g s THR 167 CO 0.57 0.00 1.54 0.25 -2.21 0.00 0.00 174.62 174.77 3m0g h LEU 168 N 0.30 -1.78 -0.77 9.08 5.85 -1.98 -1.73 115.31 124.28 3m0g h LEU 168 Ca -0.36 0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.72 3m0g h LEU 168 Cb 1.28 0.71 -0.09 0.00 0.37 0.00 0.00 40.66 42.93 3m0g h LEU 168 CO 0.44 -0.44 0.33 -0.78 -0.34 0.00 0.00 178.44 177.65 3m0g h ASP 169 N -0.48 0.34 -0.08 1.25 3.58 -2.00 -2.32 116.42 116.71 3m0g h ASP 169 Ca 0.05 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 3m0g h ASP 169 Cb 0.63 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 3m0g h ASP 169 CO -0.51 0.14 0.01 -0.33 -2.88 0.00 0.00 179.24 175.66 3m0g h GLU 170 N 0.49 0.14 0.00 0.28 5.08 -1.77 -1.58 114.58 117.22 3m0g h GLU 170 Ca 0.42 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.72 3m0g h GLU 170 Cb 0.62 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 3m0g h GLU 170 CO -0.39 0.36 -0.13 -0.84 -1.00 0.00 0.00 179.01 177.01 3m0g h ILE 171 N -0.10 0.50 -0.04 3.13 3.07 -1.19 -0.94 117.51 121.94 3m0g h ILE 171 Ca 0.03 -0.61 -0.02 0.00 1.55 0.00 0.00 64.86 65.80 3m0g h ILE 171 Cb 0.28 1.41 -0.00 0.00 -0.27 0.00 0.00 36.82 38.25 3m0g h ILE 171 CO 0.00 0.12 -0.06 0.40 -1.05 0.00 0.00 178.15 177.57 3m0g h ILE 172 N 0.00 1.40 -0.63 0.16 2.04 -0.95 -1.61 117.51 117.92 3m0g h ILE 172 Ca -0.00 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 3m0g h ILE 172 Cb 0.40 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 3m0g h ILE 172 CO 0.02 0.35 0.34 0.03 0.00 0.00 0.00 178.15 178.89 3m0g h ARG 173 N -0.37 0.88 -0.33 2.37 2.47 -1.09 -0.61 114.38 117.70 3m0g h ARG 173 Ca 0.00 -0.10 0.05 0.00 -1.26 0.00 0.00 59.98 58.68 3m0g h ARG 173 Cb 0.59 -0.17 -0.05 0.00 -1.65 0.00 0.00 29.97 28.69 3m0g h ARG 173 CO 0.01 0.66 0.02 1.25 0.56 0.00 0.00 179.97 182.48 3m0g h LEU 174 N 0.85 -0.08 -0.29 3.04 5.85 -1.21 -2.76 115.31 120.72 3m0g h LEU 174 Ca 0.22 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.83 3m0g h LEU 174 Cb 0.04 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3m0g h LEU 174 CO -0.04 -0.01 -0.86 1.56 -0.34 0.00 0.00 178.44 178.76 3m0g h GLN 175 N 0.12 0.01 -0.84 1.25 1.08 -1.14 -2.08 115.11 113.51 3m0g h GLN 175 Ca 0.16 -0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.50 3m0g h GLN 175 Cb 0.20 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 3m0g h GLN 175 CO -0.24 0.86 0.55 0.00 -0.95 0.00 0.00 178.83 179.05 3m0g h ALA 176 N 1.14 1.96 0.00 3.87 0.00 -0.90 0.17 119.26 125.50 3m0g h ALA 176 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m0g h ALA 176 Cb 1.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3m0g h ALA 176 CO 0.11 -0.20 -0.07 0.78 0.00 0.00 0.00 179.25 179.88 3m0g h GLY 177 N 0.57 0.00 1.53 0.00 0.00 -1.41 0.82 103.07 104.57 3m0g h GLY 177 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 3m0g h GLY 177 CO -0.17 0.00 0.12 1.70 0.00 0.00 0.00 176.54 178.19 3m0g h LYS 178 N -0.91 0.61 0.00 4.80 3.64 -1.29 -3.19 116.57 120.23 3m0g h LYS 178 Ca 0.00 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3m0g h LYS 178 Cb 0.07 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3m0g h LYS 178 CO 0.00 0.54 -1.09 2.41 -2.27 0.00 0.00 179.45 179.04 3m0g n THR 179 N -4.34 0.09 -0.18 1.00 -1.04 0.24 -4.84 114.28 105.21 3m0g n THR 179 Ca 0.03 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 3m0g n THR 179 Cb 0.18 -1.23 0.01 0.00 -1.82 0.00 0.00 70.33 67.47 3m0g n THR 179 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3m0g h GLY 180 N -0.01 0.96 0.89 3.41 0.00 -0.72 -3.22 103.07 104.38 3m0g h GLY 180 Ca -0.04 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.64 3m0g h GLY 180 CO -0.02 0.62 0.33 0.00 0.00 0.00 0.00 176.54 177.47 3m0g h ALA 181 N 0.96 0.69 -0.13 3.60 0.00 -0.81 -0.97 119.26 122.61 3m0g h ALA 181 Ca 0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3m0g h ALA 181 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3m0g h ALA 181 CO 0.02 0.05 -0.46 1.25 0.00 0.00 0.00 179.25 180.11 3m0g h LEU 182 N 0.65 0.33 -0.71 0.00 5.85 -1.75 -1.33 115.31 118.36 3m0g h LEU 182 Ca 0.21 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 3m0g h LEU 182 Cb 0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3m0g h LEU 182 CO -0.09 0.75 -0.38 0.40 -0.34 0.00 0.00 178.44 178.77 3m0g h ILE 183 N 0.25 1.30 -0.37 4.05 2.04 -1.51 -2.50 117.51 120.78 3m0g h ILE 183 Ca 0.02 -1.53 -0.13 0.00 1.00 0.00 0.00 64.86 64.21 3m0g h ILE 183 Cb 0.91 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3m0g h ILE 183 CO 0.07 0.48 -0.29 -1.28 0.00 0.00 0.00 178.15 177.14 3m0g h SER 184 N 0.46 0.81 -0.45 1.72 0.87 -0.84 -0.67 113.55 115.46 3m0g h SER 184 Ca 0.04 -0.32 0.02 0.00 -1.23 0.00 0.00 61.79 60.30 3m0g h SER 184 Cb 0.87 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 3m0g h SER 184 CO 0.07 1.05 0.27 0.15 -0.53 0.00 0.00 176.83 177.85 3m0g h PHE 185 N 0.67 0.51 -0.56 2.24 3.57 -1.15 -0.39 116.94 121.84 3m0g h PHE 185 Ca 0.08 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 3m0g h PHE 185 Cb 0.82 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 3m0g h PHE 185 CO 0.04 0.30 -0.02 0.00 -2.23 0.00 0.00 178.31 176.41 3m0g h ALA 186 N 1.19 0.92 0.00 2.41 0.00 -1.10 -0.60 119.26 122.07 3m0g h ALA 186 Ca 0.17 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3m0g h ALA 186 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3m0g h ALA 186 CO -0.07 0.64 -0.58 0.00 0.00 0.00 0.00 179.25 179.25 3m0g h ALA 187 N 1.08 0.88 0.00 0.00 0.00 -0.95 -2.98 119.26 117.29 3m0g h ALA 187 Ca 0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 3m0g h ALA 187 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3m0g h ALA 187 CO 0.03 0.72 -0.79 1.96 0.00 0.00 0.00 179.25 181.17 3m0g h GLN 188 N 0.00 0.00 -0.83 0.00 4.20 -0.63 -3.38 115.11 114.47 3m0g h GLN 188 Ca -0.01 0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.88 3m0g h GLN 188 Cb 1.13 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.80 3m0g h GLN 188 CO 0.07 0.14 0.35 0.00 -0.67 0.00 0.00 178.83 178.73 3m0g h ALA 189 N 1.79 1.25 -0.36 3.87 0.00 -1.08 0.52 119.26 125.25 3m0g h ALA 189 Ca -0.04 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.03 3m0g h ALA 189 Cb 1.19 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3m0g h ALA 189 CO 0.02 -0.26 0.19 0.78 0.00 0.00 0.00 179.25 179.98 3m0g h GLY 190 N 0.44 0.50 1.39 0.00 0.00 -1.76 0.57 103.07 104.20 3m0g h GLY 190 Ca 0.49 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.60 3m0g h GLY 190 CO -0.47 0.11 -0.05 0.00 0.00 0.00 0.00 176.54 176.13 3m0g h ALA 191 N 1.18 1.10 -0.25 3.60 0.00 -1.25 -2.34 119.26 121.30 3m0g h ALA 191 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3m0g h ALA 191 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3m0g h ALA 191 CO -0.10 0.57 0.10 0.82 0.00 0.00 0.00 179.25 180.64 3m0g h ILE 192 N 0.68 1.18 0.00 0.00 2.04 -0.47 0.57 117.51 121.51 3m0g h ILE 192 Ca 0.13 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3m0g h ILE 192 Cb 0.50 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3m0g h ILE 192 CO 0.03 0.18 0.00 -0.07 0.00 0.00 0.00 178.15 178.29 3m0g h LEU 193 N 0.25 0.00 -0.87 1.44 3.38 -0.75 -2.17 115.31 116.60 3m0g h LEU 193 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3m0g h LEU 193 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3m0g h LEU 193 CO -0.01 0.00 -0.38 0.00 0.09 0.00 0.00 178.44 178.14 3m0g n ALA 194 N -2.08 3.36 -3.59 1.53 0.00 -0.89 -4.96 120.51 113.87 3m0g n ALA 194 Ca 0.01 -0.57 -0.22 0.00 0.00 0.00 0.00 53.44 52.66 3m0g n ALA 194 Cb 0.32 -0.91 0.07 0.00 0.00 0.00 0.00 19.45 18.94 3m0g n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m0g n GLY 195 N 1.39 -0.47 3.68 0.00 0.00 -0.45 -5.02 105.19 104.32 3m0g n GLY 195 Ca 0.11 0.20 -0.26 0.00 0.00 0.00 0.00 46.02 46.07 3m0g n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m0g s ALA 196 N -3.35 3.38 -0.29 4.61 0.00 0.07 -5.04 121.76 121.13 3m0g s ALA 196 Ca 0.39 -2.14 -0.38 0.00 0.00 0.00 0.00 51.96 49.82 3m0g s ALA 196 Cb -0.17 -0.21 -0.14 0.00 0.00 0.00 0.00 23.12 22.59 3m0g s ALA 196 CO 0.75 -0.10 1.90 -3.47 0.00 0.00 0.00 175.76 174.83 3m0g n ASP 197 N -1.10 2.36 -0.10 0.00 2.03 -1.26 -4.60 116.55 113.88 3m0g n ASP 197 Ca -0.03 0.87 0.14 0.00 0.52 0.00 0.00 54.79 56.29 3m0g n ASP 197 Cb 0.65 -1.18 0.60 0.00 -0.72 0.00 0.00 41.12 40.46 3m0g n ASP 197 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3m0g n ARG 198 N 6.39 0.59 0.11 -0.67 1.74 -1.26 -4.58 116.66 118.97 3m0g n ARG 198 Ca 0.31 -0.19 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 3m0g n ARG 198 Cb 0.16 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 3m0g n ARG 198 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3m0g h GLY 199 N 4.97 -1.15 0.77 -0.13 0.00 -2.00 -1.30 103.07 104.23 3m0g h GLY 199 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 47.33 47.96 3m0g h GLY 199 CO 0.00 -0.34 0.65 -2.55 0.00 0.00 0.00 176.54 174.30 3m0g h PRO 200 N -0.53 1.16 -0.45 4.80 0.11 -1.83 -2.00 132.00 133.26 3m0g h PRO 200 Ca -0.01 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 65.90 3m0g h PRO 200 Cb 0.51 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3m0g h PRO 200 CO -0.14 0.77 -0.23 -0.07 -0.21 0.00 0.00 178.00 178.11 3m0g h LEU 201 N 1.20 0.96 -0.47 2.35 3.38 -1.81 -0.07 115.31 120.84 3m0g h LEU 201 Ca 0.42 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3m0g h LEU 201 Cb 0.12 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3m0g h LEU 201 CO -0.16 1.14 0.25 0.74 0.09 0.00 0.00 178.44 180.49 3m0g h THR 202 N 0.80 0.98 -0.05 0.22 2.02 -0.89 -0.34 112.91 115.65 3m0g h THR 202 Ca 0.10 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 66.98 3m0g h THR 202 Cb 0.80 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3m0g h THR 202 CO 0.07 0.09 -0.60 0.00 0.37 0.00 0.00 175.52 175.45 3m0g h ALA 203 N 1.25 0.90 -0.28 6.16 0.00 -1.22 -1.46 119.26 124.61 3m0g h ALA 203 Ca 0.20 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3m0g h ALA 203 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3m0g h ALA 203 CO -0.13 0.73 0.16 -0.92 0.00 0.00 0.00 179.25 179.09 3m0g h TYR 204 N 0.13 0.37 -0.27 0.00 3.20 -0.62 -3.04 116.97 116.73 3m0g h TYR 204 Ca -0.01 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 3m0g h TYR 204 Cb 1.08 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3m0g h TYR 204 CO 0.02 0.28 -0.35 0.00 -1.64 0.00 0.00 178.16 176.47 3m0g h ALA 205 N 1.05 0.88 0.38 1.82 0.00 -0.85 -1.46 119.26 121.08 3m0g h ALA 205 Ca 0.10 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3m0g h ALA 205 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3m0g h ALA 205 CO -0.02 0.63 -0.40 1.15 0.00 0.00 0.00 179.25 180.62 3m0g h THR 206 N 0.51 0.20 -0.11 0.00 2.02 -1.21 0.26 112.91 114.57 3m0g h THR 206 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 3m0g h THR 206 Cb 0.84 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3m0g h THR 206 CO 0.07 0.00 0.07 0.00 0.37 0.00 0.00 175.52 176.03 3m0g h ALA 207 N -0.42 0.14 -0.59 6.16 0.00 -1.53 -2.83 119.26 120.20 3m0g h ALA 207 Ca -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3m0g h ALA 207 Cb 0.72 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3m0g h ALA 207 CO -0.07 -0.34 0.32 1.25 0.00 0.00 0.00 179.25 180.40 3m0g h LEU 208 N 0.12 0.74 -0.59 0.00 5.85 -1.08 -2.08 115.31 118.26 3m0g h LEU 208 Ca 0.04 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.72 3m0g h LEU 208 Cb 0.03 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 3m0g h LEU 208 CO -0.01 0.62 0.30 1.23 -0.34 0.00 0.00 178.44 180.25 3m0g h GLY 209 N 0.79 0.85 0.93 3.75 0.00 -0.47 0.11 103.07 109.03 3m0g h GLY 209 Ca 0.21 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3m0g h GLY 209 CO -0.03 0.11 0.13 -2.00 0.00 0.00 0.00 176.54 174.75 3m0g h LEU 210 N 0.57 0.41 -1.15 3.11 5.85 -1.27 -2.18 115.31 120.65 3m0g h LEU 210 Ca 0.27 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 3m0g h LEU 210 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3m0g h LEU 210 CO -0.19 0.44 -0.05 0.00 -0.34 0.00 0.00 178.44 178.30 3m0g h ALA 211 N 0.98 1.30 0.30 1.25 0.00 -1.09 -0.51 119.26 121.49 3m0g h ALA 211 Ca 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3m0g h ALA 211 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3m0g h ALA 211 CO -0.01 0.47 -0.26 0.35 0.00 0.00 0.00 179.25 179.81 3m0g h PHE 212 N 0.51 -0.68 -0.87 0.00 3.04 -0.62 0.15 116.94 118.47 3m0g h PHE 212 Ca 0.10 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 3m0g h PHE 212 Cb 0.40 0.26 -0.04 0.00 2.56 0.00 0.00 35.95 39.13 3m0g h PHE 212 CO 0.01 -0.38 0.48 0.37 -2.02 0.00 0.00 178.31 176.77 3m0g h GLN 213 N -0.57 1.21 -0.47 1.11 -0.00 -0.96 0.17 115.11 115.59 3m0g h GLN 213 Ca -0.02 -0.14 -0.07 0.00 -0.00 0.00 0.00 58.65 58.42 3m0g h GLN 213 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 3m0g h GLN 213 CO -0.03 0.89 0.02 0.82 0.00 0.00 0.00 178.83 180.53 3m0g h ILE 214 N 1.21 1.26 -0.01 2.39 2.04 -0.92 -1.71 117.51 121.77 3m0g h ILE 214 Ca 0.31 -1.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.04 3m0g h ILE 214 Cb 0.03 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 3m0g h ILE 214 CO -0.05 0.36 -0.46 0.00 0.00 0.00 0.00 178.15 178.00 3m0g h ALA 215 N 0.93 1.21 -0.00 1.87 0.00 -0.73 -2.72 119.26 119.82 3m0g h ALA 215 Ca 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3m0g h ALA 215 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3m0g h ALA 215 CO 0.02 0.58 -0.00 -3.47 0.00 0.00 0.00 179.25 176.38 3m0g n ASP 216 N -3.99 0.16 -0.04 0.00 -0.08 0.03 -2.68 116.55 109.94 3m0g n ASP 216 Ca -0.02 -1.02 -0.09 0.00 -1.51 0.00 0.00 54.79 52.16 3m0g n ASP 216 Cb 0.49 -0.01 -0.14 0.00 2.34 0.00 0.00 41.12 43.79 3m0g n ASP 216 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3m0g n ASP 217 N -0.89 0.66 -4.57 1.67 9.92 -0.68 -4.70 116.55 117.96 3m0g n ASP 217 Ca 0.23 0.32 -0.16 0.00 -0.53 0.00 0.00 54.79 54.65 3m0g n ASP 217 Cb 0.14 0.19 -0.09 0.00 -0.64 0.00 0.00 41.12 40.72 3m0g n ASP 217 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3m0g s ILE 218 N -2.57 3.10 -0.01 0.53 1.09 -1.09 -5.00 121.20 117.24 3m0g s ILE 218 Ca -0.06 -0.13 -0.01 0.00 -1.10 0.00 0.00 60.65 59.35 3m0g s ILE 218 Cb 0.07 -3.70 -0.00 0.00 -1.06 0.00 0.00 42.46 37.77 3m0g s ILE 218 CO 0.83 -0.19 -0.02 0.18 -0.10 0.00 0.00 174.94 175.64 3m0g n LEU 219 N 18.51 0.11 0.00 2.97 4.32 -1.26 -5.07 117.00 136.58 3m0g n LEU 219 Ca 0.44 0.02 0.00 0.00 -0.02 0.00 0.00 56.01 56.44 3m0g n LEU 219 Cb 0.45 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 3m0g n LEU 219 CO 0.58 -0.49 0.00 0.00 -1.22 0.00 0.00 177.39 176.26 3m0g n ALA 241 N -2.61 0.00 -3.43 -1.18 0.00 -1.26 -5.26 120.51 106.77 3m0g n ALA 241 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 3m0g n ALA 241 Cb 0.03 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.50 3m0g n ALA 241 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3m0g n THR 242 N 0.00 0.00 0.09 0.00 -2.24 -1.26 -4.91 114.28 105.96 3m0g n THR 242 Ca 0.00 -1.28 -0.01 0.00 -2.27 0.00 0.00 64.05 60.49 3m0g n THR 242 Cb 0.00 -0.42 0.25 0.00 -2.10 0.00 0.00 70.33 68.06 3m0g n THR 242 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3m0g h PHE 243 N 0.37 0.31 0.00 4.78 0.04 -1.95 -2.96 116.94 117.53 3m0g h PHE 243 Ca -0.19 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.41 3m0g h PHE 243 Cb 0.78 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3m0g h PHE 243 CO 0.00 0.59 -0.43 0.28 -0.60 0.00 0.00 178.31 178.15 3m0g h VAL 244 N 0.24 1.04 -0.09 -0.55 2.07 -1.93 -0.19 116.25 116.82 3m0g h VAL 244 Ca 0.03 -1.63 -0.15 0.00 0.82 0.00 0.00 66.70 65.77 3m0g h VAL 244 Cb 0.72 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3m0g h VAL 244 CO 0.05 0.42 -0.58 0.77 0.02 0.00 0.00 177.57 178.26 3m0g h SER 245 N 0.00 0.33 0.00 0.57 4.64 -1.81 -1.38 113.55 115.90 3m0g h SER 245 Ca -0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3m0g h SER 245 Cb 0.92 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 3m0g h SER 245 CO 0.06 0.84 -1.31 0.18 -0.87 0.00 0.00 176.83 175.72 3m0g n LEU 246 N -3.90 0.44 0.00 5.97 4.77 -1.15 -4.58 117.00 118.55 3m0g n LEU 246 Ca -0.02 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3m0g n LEU 246 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3m0g n LEU 246 CO 0.45 0.11 -0.37 0.18 -1.33 0.00 0.00 177.39 176.43 3m0g n LEU 247 N -1.76 0.00 0.00 2.23 4.77 -0.10 -5.09 117.00 117.05 3m0g n LEU 247 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3m0g n LEU 247 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3m0g n LEU 247 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3m0g n GLY 248 N 2.03 0.59 0.12 -0.72 0.00 -0.52 -3.65 105.19 103.04 3m0g n GLY 248 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 3m0g n GLY 248 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3m0g h LEU 249 N 0.00 0.30 0.01 0.99 6.46 -1.95 -3.18 115.31 117.95 3m0g h LEU 249 Ca 0.00 -0.34 -0.33 0.00 -0.12 0.00 0.00 57.88 57.10 3m0g h LEU 249 Cb 0.00 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 39.80 3m0g h LEU 249 CO 0.00 0.56 -1.97 0.00 -0.62 0.00 0.00 178.44 176.41 3m0g n ALA 250 N -2.33 1.43 0.36 1.25 0.00 -1.26 -3.88 120.51 116.07 3m0g n ALA 250 Ca -0.05 -0.93 0.11 0.00 0.00 0.00 0.00 53.44 52.57 3m0g n ALA 250 Cb 0.24 -0.61 0.48 0.00 0.00 0.00 0.00 19.45 19.56 3m0g n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m0g n GLY 251 N 1.69 -1.17 0.09 0.00 0.00 -1.24 -1.89 105.19 102.67 3m0g n GLY 251 Ca -0.24 0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.82 3m0g n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m0g n ALA 252 N -1.74 1.71 0.11 4.61 0.00 -1.20 -3.47 120.51 120.52 3m0g n ALA 252 Ca 0.02 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 3m0g n ALA 252 Cb 0.19 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.74 3m0g n ALA 252 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3m0g h LYS 253 N 0.00 -0.31 -1.00 0.00 1.57 -1.49 -2.42 116.57 112.91 3m0g h LYS 253 Ca -0.26 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.62 3m0g h LYS 253 Cb 1.84 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 34.15 3m0g h LYS 253 CO 0.06 0.05 0.64 1.03 -0.57 0.00 0.00 179.45 180.67 3m0g h SER 254 N -0.81 1.02 -0.53 0.86 0.87 -1.57 -0.16 113.55 113.23 3m0g h SER 254 Ca -0.03 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 3m0g h SER 254 Cb 0.51 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.24 3m0g h SER 254 CO 0.05 0.64 0.24 -0.09 -0.53 0.00 0.00 176.83 177.14 3m0g h ARG 255 N 1.15 0.77 -0.35 2.24 9.65 -1.59 1.00 114.38 127.24 3m0g h ARG 255 Ca 0.44 -0.12 -0.12 0.00 -1.10 0.00 0.00 59.98 59.08 3m0g h ARG 255 Cb 0.21 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.65 3m0g h ARG 255 CO -0.18 0.65 -0.27 0.00 2.80 0.00 0.00 179.97 182.97 3m0g h ALA 256 N 1.08 0.50 -0.87 2.80 0.00 -0.90 -1.17 119.26 120.71 3m0g h ALA 256 Ca 0.18 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.75 3m0g h ALA 256 Cb 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3m0g h ALA 256 CO -0.02 0.50 0.57 0.00 0.00 0.00 0.00 179.25 180.30 3m0g h ALA 257 N 0.76 1.53 -0.23 0.00 0.00 -0.92 -1.24 119.26 119.16 3m0g h ALA 257 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3m0g h ALA 257 Cb 0.84 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3m0g h ALA 257 CO 0.07 0.35 0.01 -0.44 0.00 0.00 0.00 179.25 179.24 3m0g h ASP 258 N 0.99 0.38 -0.09 0.00 3.32 -0.32 -2.62 116.42 118.09 3m0g h ASP 258 Ca 0.37 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3m0g h ASP 258 Cb 0.17 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3m0g h ASP 258 CO -0.13 0.58 -0.19 -0.07 -1.72 0.00 0.00 179.24 177.71 3m0g h LEU 259 N 0.17 0.48 -0.52 1.55 3.38 -0.96 -0.97 115.31 118.44 3m0g h LEU 259 Ca 0.07 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3m0g h LEU 259 Cb 0.38 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3m0g h LEU 259 CO 0.01 0.69 0.34 0.58 0.09 0.00 0.00 178.44 180.14 3m0g h VAL 260 N 0.44 1.11 -0.88 1.22 2.07 -1.21 0.31 116.25 119.30 3m0g h VAL 260 Ca 0.07 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3m0g h VAL 260 Cb 0.59 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3m0g h VAL 260 CO 0.04 0.12 0.58 0.00 0.02 0.00 0.00 177.57 178.33 3m0g h ALA 261 N 1.20 1.12 -0.31 1.67 0.00 -0.91 -1.15 119.26 120.88 3m0g h ALA 261 Ca 0.20 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3m0g h ALA 261 Cb -0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3m0g h ALA 261 CO -0.06 0.54 -0.21 0.93 0.00 0.00 0.00 179.25 180.44 3m0g h GLU 262 N 1.20 0.59 -0.20 0.00 4.39 -0.84 -1.91 114.58 117.81 3m0g h GLU 262 Ca 0.32 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3m0g h GLU 262 Cb -0.12 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 3m0g h GLU 262 CO -0.07 0.77 0.10 0.00 -1.16 0.00 0.00 179.01 178.65 3m0g h ALA 263 N 1.24 0.26 -0.22 3.43 0.00 -0.21 -1.61 119.26 122.16 3m0g h ALA 263 Ca 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m0g h ALA 263 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3m0g h ALA 263 CO 0.05 -0.19 0.13 0.93 0.00 0.00 0.00 179.25 180.17 3m0g h GLU 264 N 0.21 0.30 -0.25 0.00 5.08 -1.07 -2.96 114.58 115.89 3m0g h GLU 264 Ca 0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3m0g h GLU 264 Cb 0.10 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3m0g h GLU 264 CO -0.01 0.24 0.05 0.00 -1.00 0.00 0.00 179.01 178.29 3m0g h ALA 265 N 1.04 1.64 -0.56 3.43 0.00 -1.29 -1.99 119.26 121.53 3m0g h ALA 265 Ca 0.08 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3m0g h ALA 265 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3m0g h ALA 265 CO -0.01 0.28 0.38 0.00 0.00 0.00 0.00 179.25 179.89 3m0g h ALA 266 N 1.72 2.03 -0.29 0.00 0.00 -1.11 -1.47 119.26 120.13 3m0g h ALA 266 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3m0g h ALA 266 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3m0g h ALA 266 CO -0.00 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.37 3m0g n LEU 267 N -4.47 2.40 -0.22 0.00 4.77 -0.75 -4.43 117.00 114.31 3m0g n LEU 267 Ca 0.09 -1.21 0.10 0.00 -0.03 0.00 0.00 56.01 54.96 3m0g n LEU 267 Cb 0.36 -0.39 0.39 0.00 -2.33 0.00 0.00 43.42 41.44 3m0g n LEU 267 CO 0.34 0.43 1.22 0.00 -1.33 0.00 0.00 177.39 178.05 3m0g h ALA 268 N 3.26 1.82 0.00 -1.18 0.00 -1.34 -1.96 119.26 119.86 3m0g h ALA 268 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m0g h ALA 268 Cb 0.78 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3m0g h ALA 268 CO 0.11 -0.00 0.00 -1.35 0.00 0.00 0.00 179.25 178.01 3m0g h PRO 269 N 0.68 0.00 0.00 0.00 0.11 -1.84 -1.10 132.00 129.85 3m0g h PRO 269 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 3m0g h PRO 269 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3m0g h PRO 269 CO -0.15 0.00 -0.38 0.66 -0.21 0.00 0.00 178.00 177.92 3m0g n TYR 270 N -2.87 0.51 -4.63 0.65 4.01 -0.74 -5.04 117.16 109.05 3m0g n TYR 270 Ca -0.02 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 3m0g n TYR 270 Cb 0.07 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.45 3m0g n TYR 270 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3m0g n GLY 271 N 1.37 1.01 0.18 2.72 0.00 -0.42 -3.49 105.19 106.56 3m0g n GLY 271 Ca 0.05 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.48 3m0g n GLY 271 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3m0g h GLU 272 N 0.00 0.00 0.00 1.61 4.39 -1.92 -1.93 114.58 116.73 3m0g h GLU 272 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3m0g h GLU 272 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3m0g h GLU 272 CO 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 179.01 177.88 3m0g h ALA 273 N 2.18 1.03 0.00 3.43 0.00 -1.96 -1.52 119.26 122.42 3m0g h ALA 273 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3m0g h ALA 273 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3m0g h ALA 273 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3m0g n ALA 274 N -1.84 2.44 0.25 0.00 0.00 -0.73 -4.41 120.51 116.23 3m0g n ALA 274 Ca -0.02 -0.14 0.09 0.00 0.00 0.00 0.00 53.44 53.37 3m0g n ALA 274 Cb 0.08 -1.36 0.66 0.00 0.00 0.00 0.00 19.45 18.83 3m0g n ALA 274 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3m0g h SER 275 N 0.00 0.00 0.03 0.00 4.64 -1.51 -0.89 113.55 115.82 3m0g h SER 275 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3m0g h SER 275 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3m0g h SER 275 CO 0.00 0.08 -0.26 0.74 -0.87 0.00 0.00 176.83 176.52 3m0g h THR 276 N 0.00 1.64 -0.80 2.95 2.02 -1.86 -1.99 112.91 114.86 3m0g h THR 276 Ca -0.00 -2.20 0.02 0.00 0.77 0.00 0.00 66.41 65.00 3m0g h THR 276 Cb 0.16 3.09 -0.04 0.00 -1.74 0.00 0.00 68.15 69.61 3m0g h THR 276 CO 0.01 0.59 0.52 -0.07 0.37 0.00 0.00 175.52 176.95 3m0g h LEU 277 N -0.67 0.89 -0.74 2.58 3.38 -1.86 0.23 115.31 119.11 3m0g h LEU 277 Ca -0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3m0g h LEU 277 Cb 1.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 3m0g h LEU 277 CO 0.05 0.62 0.38 0.03 0.09 0.00 0.00 178.44 179.61 3m0g h ARG 278 N 1.04 1.05 -0.45 1.13 3.08 -1.23 -0.68 114.38 118.32 3m0g h ARG 278 Ca 0.31 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 60.11 3m0g h ARG 278 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 3m0g h ARG 278 CO -0.09 0.80 -0.16 0.00 -1.07 0.00 0.00 179.97 179.45 3m0g h ALA 279 N 1.19 0.87 -0.67 0.04 0.00 -1.00 -2.20 119.26 117.49 3m0g h ALA 279 Ca 0.26 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.86 3m0g h ALA 279 Cb 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3m0g h ALA 279 CO -0.04 0.64 0.40 0.00 0.00 0.00 0.00 179.25 180.25 3m0g h ALA 281 N 1.32 0.67 0.00 0.00 0.00 -0.90 -2.55 119.26 117.80 3m0g h ALA 281 Ca 0.28 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3m0g h ALA 281 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3m0g h ALA 281 CO -0.14 0.26 -0.14 0.00 0.00 0.00 0.00 179.25 179.24 3m0g h ARG 282 N 0.70 0.00 0.03 0.00 3.08 -1.06 -3.03 114.38 114.09 3m0g h ARG 282 Ca 0.18 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.00 3m0g h ARG 282 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3m0g h ARG 282 CO -0.02 0.14 -1.09 -0.92 -1.07 0.00 0.00 179.97 177.01 3m0g h TYR 283 N 0.00 0.11 0.00 3.04 5.03 -0.90 -3.27 116.97 120.97 3m0g h TYR 283 Ca -0.00 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 3m0g h TYR 283 Cb 0.30 -0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 3m0g h TYR 283 CO 0.00 1.06 -0.03 -0.39 -1.32 0.00 0.00 178.16 177.48 3m0g h VAL 284 N 0.02 0.39 -0.67 1.81 -1.51 -1.35 0.16 116.25 115.09 3m0g h VAL 284 Ca -0.05 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 3m0g h VAL 284 Cb 1.83 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 32.10 3m0g h VAL 284 CO 0.14 0.03 0.00 2.30 -1.23 0.00 0.00 177.57 178.81 3m0g n ILE 285 N -3.58 1.29 -0.50 7.19 -5.35 -1.23 -4.91 119.36 112.26 3m0g n ILE 285 Ca -0.03 -1.02 0.00 0.00 -0.27 0.00 0.00 62.75 61.44 3m0g n ILE 285 Cb 0.13 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 3m0g n ILE 285 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17