#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndf h HIS 31 N 0.00 0.96 -0.11 0.00 6.17 -2.02 -2.08 115.15 118.07 1ndf h HIS 31 Ca 0.00 0.02 -0.09 0.00 0.71 0.00 0.00 60.37 61.01 1ndf h HIS 31 Cb 0.00 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 29.60 1ndf h HIS 31 CO 0.00 0.53 -0.35 1.96 0.71 0.00 0.00 177.93 180.78 1ndf h GLN 32 N 0.97 0.23 0.00 5.26 1.08 -1.96 -2.74 115.11 117.95 1ndf h GLN 32 Ca 0.35 -0.09 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1ndf h GLN 32 Cb 0.14 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1ndf h GLN 32 CO -0.12 0.56 0.00 -0.25 -0.95 0.00 0.00 178.83 178.07 1ndf n ASP 33 N -4.08 0.71 0.05 1.46 8.00 -0.79 -2.09 116.55 119.82 1ndf n ASP 33 Ca -0.01 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.27 1ndf n ASP 33 Cb 0.43 -0.82 0.05 0.00 -0.02 0.00 0.00 41.12 40.76 1ndf n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ndf n ALA 34 N -1.79 3.01 -1.76 2.24 0.00 -1.04 -4.92 120.51 116.25 1ndf n ALA 34 Ca 0.02 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.74 1ndf n ALA 34 Cb 0.24 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1ndf n ALA 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ndf s LEU 35 N -4.41 4.45 0.67 0.00 1.43 -0.89 -5.01 118.68 114.92 1ndf s LEU 35 Ca 0.03 2.33 -0.14 0.00 -1.03 0.00 0.00 54.13 55.32 1ndf s LEU 35 Cb 0.13 -3.73 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1ndf s LEU 35 CO 0.78 -0.31 1.09 -2.16 0.23 0.00 0.00 176.35 175.98 1ndf s PRO 36 N -1.71 2.82 0.28 1.29 0.04 -1.26 -4.65 135.00 131.81 1ndf s PRO 36 Ca 0.48 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1ndf s PRO 36 Cb -0.32 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1ndf s PRO 36 CO 0.42 -1.22 0.69 1.03 0.04 0.00 0.00 177.00 177.95 1ndf s ARG 37 N -4.31 4.00 0.03 4.56 3.00 -1.26 -1.37 118.95 123.61 1ndf s ARG 37 Ca 0.64 0.61 -0.34 0.00 0.00 0.00 0.00 55.73 56.65 1ndf s ARG 37 Cb -0.18 -2.58 -0.13 0.00 0.00 0.00 0.00 34.95 32.06 1ndf s ARG 37 CO 0.44 0.25 1.75 -0.11 0.00 0.00 0.00 175.30 177.63 1ndf n LEU 38 N -0.07 3.34 -4.91 2.53 7.94 -1.26 -4.88 117.00 119.69 1ndf n LEU 38 Ca 0.01 1.02 -0.27 0.00 -1.11 0.00 0.00 56.01 55.66 1ndf n LEU 38 Cb 0.53 -1.41 0.03 0.00 0.53 0.00 0.00 43.42 43.10 1ndf n LEU 38 CO 0.42 -0.14 0.56 -2.16 -1.11 0.00 0.00 177.39 174.97 1ndf s PRO 39 N 2.64 2.88 -0.31 1.96 0.04 -1.26 -4.76 135.00 136.19 1ndf s PRO 39 Ca 0.86 0.04 -0.08 0.00 0.04 0.00 0.00 61.00 61.86 1ndf s PRO 39 Cb -0.67 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 31.64 1ndf s PRO 39 CO 0.45 -0.76 0.11 0.08 0.04 0.00 0.00 177.00 176.92 1ndf s VAL 40 N -3.05 4.17 0.75 -0.36 1.01 -1.26 -5.04 120.40 116.63 1ndf s VAL 40 Ca 0.55 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 1ndf s VAL 40 Cb -0.11 -3.18 0.05 0.00 0.00 0.00 0.00 36.38 33.15 1ndf s VAL 40 CO 0.46 0.02 1.14 -2.84 0.00 0.00 0.00 175.10 173.88 1ndf s PRO 41 N 1.53 2.14 0.53 2.72 0.02 -1.26 -4.96 135.00 135.72 1ndf s PRO 41 Ca 0.03 1.48 -0.21 0.00 0.02 0.00 0.00 61.00 62.31 1ndf s PRO 41 Cb -0.18 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 1ndf s PRO 41 CO 0.04 -1.78 1.29 -2.14 -0.33 0.00 0.00 177.00 174.07 1ndf s PRO 42 N -4.33 3.26 0.13 5.54 0.02 -1.26 -4.89 135.00 133.46 1ndf s PRO 42 Ca 0.68 2.06 -0.19 0.00 0.02 0.00 0.00 61.00 63.57 1ndf s PRO 42 Cb -0.23 -2.24 -0.05 0.00 0.02 0.00 0.00 34.50 32.01 1ndf s PRO 42 CO 0.49 -1.04 1.76 1.25 -0.33 0.00 0.00 177.00 179.13 1ndf h LEU 43 N 1.50 0.31 -0.96 -5.54 5.85 -1.98 -2.42 115.31 112.07 1ndf h LEU 43 Ca -0.50 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 1ndf h LEU 43 Cb 1.29 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 1ndf h LEU 43 CO 0.58 0.25 0.35 -0.61 -0.34 0.00 0.00 178.44 178.66 1ndf h GLN 44 N 0.34 1.10 0.31 1.25 4.15 -1.96 -1.43 115.11 118.88 1ndf h GLN 44 Ca 0.09 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1ndf h GLN 44 Cb -0.01 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 1ndf h GLN 44 CO -0.02 0.86 -0.17 0.37 -1.93 0.00 0.00 178.83 177.94 1ndf h GLN 45 N 1.09 -0.44 -0.62 1.69 4.15 -1.89 -1.71 115.11 117.39 1ndf h GLN 45 Ca 0.26 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.68 1ndf h GLN 45 Cb 0.13 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 1ndf h GLN 45 CO -0.03 -0.29 0.26 0.77 -1.93 0.00 0.00 178.83 177.61 1ndf h SER 46 N -0.45 0.84 0.07 -0.69 0.02 -1.27 -2.45 113.55 109.62 1ndf h SER 46 Ca -0.04 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 1ndf h SER 46 Cb 0.36 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1ndf h SER 46 CO 0.05 0.77 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.17 1ndf h LEU 47 N 0.86 0.33 -0.33 5.07 3.38 -1.21 -0.75 115.31 122.65 1ndf h LEU 47 Ca 0.21 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1ndf h LEU 47 Cb 0.19 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1ndf h LEU 47 CO -0.02 0.61 -0.00 -0.78 0.09 0.00 0.00 178.44 178.34 1ndf h ASP 48 N 0.29 0.58 -0.03 -0.43 3.58 -1.14 -1.23 116.42 118.04 1ndf h ASP 48 Ca 0.04 -0.31 -0.07 0.00 0.42 0.00 0.00 57.03 57.11 1ndf h ASP 48 Cb 0.65 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1ndf h ASP 48 CO 0.05 0.74 -0.17 1.88 -2.88 0.00 0.00 179.24 178.86 1ndf h TYR 49 N 0.39 0.41 0.13 0.28 0.05 -1.18 -2.02 116.97 115.03 1ndf h TYR 49 Ca 0.09 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1ndf h TYR 49 Cb 0.45 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1ndf h TYR 49 CO 0.04 0.54 -0.06 -0.92 -1.05 0.00 0.00 178.16 176.70 1ndf h TYR 50 N 0.35 -0.16 -0.77 4.88 3.20 -0.81 -0.52 116.97 123.14 1ndf h TYR 50 Ca 0.06 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.99 1ndf h TYR 50 Cb 0.51 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1ndf h TYR 50 CO 0.01 0.05 0.46 -0.07 -1.64 0.00 0.00 178.16 176.97 1ndf h LEU 51 N -0.34 0.72 -0.73 2.82 3.38 -1.06 -0.94 115.31 119.16 1ndf h LEU 51 Ca -0.02 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1ndf h LEU 51 Cb 0.27 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ndf h LEU 51 CO 0.03 0.47 0.26 0.11 0.09 0.00 0.00 178.44 179.39 1ndf h LYS 52 N 0.85 1.11 0.00 1.13 1.57 -1.18 -2.66 116.57 117.39 1ndf h LYS 52 Ca 0.34 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1ndf h LYS 52 Cb 0.16 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1ndf h LYS 52 CO -0.17 0.93 -0.02 0.00 -0.57 0.00 0.00 179.45 179.62 1ndf h ALA 53 N 1.13 1.00 0.04 3.86 0.00 -0.41 -3.14 119.26 121.73 1ndf h ALA 53 Ca 0.24 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 1ndf h ALA 53 Cb 0.26 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ndf h ALA 53 CO -0.01 0.02 -1.14 -0.07 0.00 0.00 0.00 179.25 178.05 1ndf h LEU 54 N 0.00 0.14 -0.86 0.00 3.38 -0.86 -3.38 115.31 113.74 1ndf h LEU 54 Ca -0.00 -0.16 0.22 0.00 0.09 0.00 0.00 57.88 58.03 1ndf h LEU 54 Cb 0.63 -0.05 -0.15 0.00 0.09 0.00 0.00 40.66 41.19 1ndf h LEU 54 CO 0.00 1.13 0.10 -0.61 0.09 0.00 0.00 178.44 179.15 1ndf h GLN 55 N 0.02 0.12 0.00 1.13 4.15 -1.45 0.16 115.11 119.24 1ndf h GLN 55 Ca -0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1ndf h GLN 55 Cb 1.86 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.52 1ndf h GLN 55 CO 0.15 0.08 0.00 -0.35 -1.93 0.00 0.00 178.83 176.78 1ndf n PRO 56 N -5.33 0.18 0.00 -2.39 -0.04 -1.26 -3.99 135.00 122.17 1ndf n PRO 56 Ca 0.19 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1ndf n PRO 56 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1ndf n PRO 56 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1ndf n ILE 57 N -1.40 0.11 -4.34 0.52 -5.35 -0.02 -4.61 119.36 104.26 1ndf n ILE 57 Ca 0.09 -0.54 -0.18 0.00 -0.27 0.00 0.00 62.75 61.85 1ndf n ILE 57 Cb 0.27 0.97 -0.10 0.00 -1.74 0.00 0.00 39.64 39.04 1ndf n ILE 57 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1ndf s VAL 58 N -0.11 1.58 0.82 7.28 -7.23 -0.84 -4.98 120.40 116.93 1ndf s VAL 58 Ca 0.00 -2.16 -0.11 0.00 -1.81 0.00 0.00 61.98 57.90 1ndf s VAL 58 Cb 0.00 -2.10 0.09 0.00 0.56 0.00 0.00 36.38 34.93 1ndf s VAL 58 CO 0.00 -0.55 1.09 -0.94 -0.31 0.00 0.00 175.10 174.39 1ndf s SER 59 N -3.31 4.17 0.24 4.85 1.04 -1.26 -4.79 113.70 114.65 1ndf s SER 59 Ca 0.23 1.45 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 1ndf s SER 59 Cb 0.01 -2.17 0.31 0.00 0.10 0.00 0.00 66.02 64.26 1ndf s SER 59 CO 0.07 -2.19 1.88 -0.33 0.98 0.00 0.00 173.24 173.65 1ndf h GLU 60 N -1.24 1.08 -0.38 4.02 5.08 -1.99 0.03 114.58 121.19 1ndf h GLU 60 Ca -0.47 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 1ndf h GLU 60 Cb 1.27 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1ndf h GLU 60 CO 0.56 0.72 0.09 0.93 -1.00 0.00 0.00 179.01 180.32 1ndf h GLU 61 N 1.12 0.60 -0.70 2.33 3.07 -1.99 -1.47 114.58 117.54 1ndf h GLU 61 Ca 0.37 -0.14 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 1ndf h GLU 61 Cb 0.05 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 1ndf h GLU 61 CO -0.13 0.64 0.14 0.93 -1.40 0.00 0.00 179.01 179.18 1ndf h GLU 62 N 0.46 1.13 -0.70 2.33 5.08 -1.79 -1.65 114.58 119.44 1ndf h GLU 62 Ca 0.12 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 1ndf h GLU 62 Cb 0.30 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1ndf h GLU 62 CO 0.00 1.02 0.21 2.35 -1.00 0.00 0.00 179.01 181.58 1ndf h TRP 63 N 1.07 1.15 -0.30 4.33 7.01 -0.86 -0.43 115.95 127.91 1ndf h TRP 63 Ca 0.21 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1ndf h TRP 63 Cb 0.41 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.13 1ndf h TRP 63 CO 0.03 0.92 0.11 0.00 -2.79 0.00 0.00 178.44 176.71 1ndf h ALA 64 N 1.10 0.39 -0.65 2.65 0.00 -1.03 0.60 119.26 122.33 1ndf h ALA 64 Ca 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ndf h ALA 64 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ndf h ALA 64 CO -0.00 0.00 0.37 1.25 0.00 0.00 0.00 179.25 180.87 1ndf h HIS 65 N 0.34 0.87 -0.27 0.00 -0.00 -1.05 -2.27 115.15 112.76 1ndf h HIS 65 Ca 0.10 -0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.39 1ndf h HIS 65 Cb 0.20 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 1ndf h HIS 65 CO -0.00 0.61 -0.13 1.15 -0.00 0.00 0.00 177.93 179.56 1ndf h THR 66 N 0.88 1.23 -0.96 6.26 2.02 -0.82 -2.20 112.91 119.32 1ndf h THR 66 Ca 0.23 -1.00 0.01 0.00 0.77 0.00 0.00 66.41 66.42 1ndf h THR 66 Cb 0.01 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1ndf h THR 66 CO -0.04 0.33 0.63 0.50 0.37 0.00 0.00 175.52 177.31 1ndf h LYS 67 N 0.43 1.26 -0.11 6.66 1.63 -0.32 0.43 116.57 126.55 1ndf h LYS 67 Ca 0.08 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1ndf h LYS 67 Cb 0.49 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1ndf h LYS 67 CO 0.03 0.83 0.01 1.96 -3.45 0.00 0.00 179.45 178.83 1ndf h GLN 68 N 1.29 0.18 -0.77 1.90 4.20 -1.01 -1.70 115.11 119.21 1ndf h GLN 68 Ca 0.35 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.04 1ndf h GLN 68 Cb -0.14 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.57 1ndf h GLN 68 CO -0.08 0.39 0.49 -0.07 -0.67 0.00 0.00 178.83 178.90 1ndf h LEU 69 N -0.05 0.82 -0.52 1.46 3.38 -1.04 -1.79 115.31 117.57 1ndf h LEU 69 Ca 0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ndf h LEU 69 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ndf h LEU 69 CO 0.00 0.58 0.26 0.58 0.09 0.00 0.00 178.44 179.94 1ndf h VAL 70 N 0.97 1.19 -0.35 1.22 2.07 -0.80 0.31 116.25 120.87 1ndf h VAL 70 Ca 0.30 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1ndf h VAL 70 Cb -0.02 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1ndf h VAL 70 CO -0.10 0.22 0.19 0.44 0.02 0.00 0.00 177.57 178.34 1ndf h ASP 71 N 0.70 0.43 0.08 0.57 3.32 -0.93 -2.46 116.42 118.13 1ndf h ASP 71 Ca 0.18 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ndf h ASP 71 Cb 0.11 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ndf h ASP 71 CO -0.02 0.40 -0.04 -0.08 -1.72 0.00 0.00 179.24 177.77 1ndf h GLU 72 N 0.44 -0.10 -0.98 3.56 4.57 -1.12 -2.65 114.58 118.28 1ndf h GLU 72 Ca 0.12 0.01 0.23 0.00 -1.18 0.00 0.00 59.36 58.54 1ndf h GLU 72 Cb 0.06 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.55 1ndf h GLU 72 CO -0.02 0.07 0.57 0.35 -1.18 0.00 0.00 179.01 178.80 1ndf h PHE 73 N -0.26 0.97 -0.53 0.92 3.57 -0.22 -2.37 116.94 119.03 1ndf h PHE 73 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1ndf h PHE 73 Cb 0.22 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1ndf h PHE 73 CO -0.02 0.09 0.00 0.00 -2.23 0.00 0.00 178.31 176.15 1ndf n GLN 74 N -4.88 2.58 -1.73 1.11 10.64 -0.94 -0.69 117.38 123.47 1ndf n GLN 74 Ca 0.25 -2.39 -0.39 0.00 -1.83 0.00 0.00 57.00 52.64 1ndf n GLN 74 Cb 0.68 -1.50 0.04 0.00 -0.86 0.00 0.00 30.24 28.60 1ndf n GLN 74 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1ndf n THR 75 N 1.42 3.67 -1.66 -0.39 5.66 -0.89 -4.77 114.28 117.31 1ndf n THR 75 Ca 0.20 -0.50 -0.48 0.00 -3.05 0.00 0.00 64.05 60.22 1ndf n THR 75 Cb 0.58 -1.63 -0.05 0.00 -1.55 0.00 0.00 70.33 67.68 1ndf n THR 75 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1ndf n SER 76 N -0.84 2.79 0.00 1.09 2.88 -1.26 -0.40 113.62 117.88 1ndf n SER 76 Ca 0.10 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1ndf n SER 76 Cb 0.44 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1ndf n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ndf n GLY 77 N 3.39 0.53 0.00 0.46 0.00 -1.26 -5.03 105.19 103.28 1ndf n GLY 77 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1ndf n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ndf n GLY 78 N -2.93 0.83 0.08 -0.02 0.00 0.47 -4.99 105.19 98.63 1ndf n GLY 78 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 1ndf n GLY 78 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ndf h VAL 79 N -0.28 1.11 -0.97 1.61 2.07 -1.84 -3.18 116.25 114.77 1ndf h VAL 79 Ca 0.00 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1ndf h VAL 79 Cb 0.00 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1ndf h VAL 79 CO 0.00 0.15 0.63 1.23 0.02 0.00 0.00 177.57 179.61 1ndf h GLY 80 N -0.36 1.41 0.98 2.17 0.00 -1.23 -2.27 103.07 103.77 1ndf h GLY 80 Ca -0.01 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 46.86 1ndf h GLY 80 CO 0.01 0.40 0.65 -2.09 0.00 0.00 0.00 176.54 175.51 1ndf h GLU 81 N 1.21 1.26 -0.39 4.80 4.81 -1.70 0.21 114.58 124.77 1ndf h GLU 81 Ca 0.39 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1ndf h GLU 81 Cb 0.04 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1ndf h GLU 81 CO -0.13 0.83 -0.27 0.00 -0.73 0.00 0.00 179.01 178.72 1ndf h ARG 82 N 1.30 0.83 -0.34 1.92 3.08 -1.41 -1.27 114.38 118.48 1ndf h ARG 82 Ca 0.37 -0.36 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 1ndf h ARG 82 Cb -0.09 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1ndf h ARG 82 CO -0.10 1.00 -0.44 -0.07 -1.07 0.00 0.00 179.97 179.29 1ndf h LEU 83 N 0.71 0.97 -0.43 3.04 3.38 -0.88 -2.24 115.31 119.86 1ndf h LEU 83 Ca 0.09 -0.47 0.01 0.00 0.09 0.00 0.00 57.88 57.60 1ndf h LEU 83 Cb 0.81 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 1ndf h LEU 83 CO 0.07 1.27 0.27 -0.61 0.09 0.00 0.00 178.44 179.52 1ndf h GLN 84 N 0.72 0.53 -0.58 1.13 5.75 -0.44 -1.27 115.11 120.95 1ndf h GLN 84 Ca 0.04 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1ndf h GLN 84 Cb 1.04 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.44 1ndf h GLN 84 CO 0.10 0.35 0.37 0.87 -2.65 0.00 0.00 178.83 177.88 1ndf h LYS 85 N 0.54 0.77 -0.75 1.69 1.79 -1.12 -0.82 116.57 118.68 1ndf h LYS 85 Ca 0.17 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1ndf h LYS 85 Cb -0.02 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.42 1ndf h LYS 85 CO -0.06 0.52 0.39 0.78 -1.08 0.00 0.00 179.45 179.99 1ndf h GLY 86 N 0.80 1.13 1.27 3.86 0.00 -0.65 -0.55 103.07 108.92 1ndf h GLY 86 Ca 0.21 -0.53 -0.11 0.00 0.00 0.00 0.00 47.33 46.89 1ndf h GLY 86 CO -0.04 0.51 -0.18 1.41 0.00 0.00 0.00 176.54 178.23 1ndf h LEU 87 N 1.04 0.86 -1.01 3.11 3.38 -0.24 -0.71 115.31 121.73 1ndf h LEU 87 Ca 0.26 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1ndf h LEU 87 Cb 0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ndf h LEU 87 CO -0.04 1.03 -0.06 -0.33 0.09 0.00 0.00 178.44 179.13 1ndf h GLU 88 N 0.75 0.64 -0.28 1.13 5.08 -0.77 -0.49 114.58 120.65 1ndf h GLU 88 Ca 0.11 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 1ndf h GLU 88 Cb 0.71 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1ndf h GLU 88 CO 0.05 0.71 -0.39 0.00 -1.00 0.00 0.00 179.01 178.38 1ndf h ARG 89 N 0.60 0.65 -0.61 2.33 3.08 -0.76 -2.69 114.38 116.98 1ndf h ARG 89 Ca 0.11 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 1ndf h ARG 89 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1ndf h ARG 89 CO 0.02 0.93 0.27 -0.09 -1.07 0.00 0.00 179.97 180.04 1ndf h ARG 90 N 0.54 0.90 0.00 0.04 2.43 -0.39 -2.13 114.38 115.76 1ndf h ARG 90 Ca 0.05 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1ndf h ARG 90 Cb 0.91 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1ndf h ARG 90 CO 0.08 0.74 -0.28 0.00 -1.51 0.00 0.00 179.97 179.00 1ndf h ALA 91 N 1.11 1.40 0.00 2.80 0.00 -0.99 -1.85 119.26 121.73 1ndf h ALA 91 Ca 0.21 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1ndf h ALA 91 Cb 0.16 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ndf h ALA 91 CO -0.02 0.35 -0.33 0.87 0.00 0.00 0.00 179.25 180.13 1ndf h LYS 92 N 0.00 0.00 -0.36 0.00 1.57 -1.08 -3.29 116.57 113.41 1ndf h LYS 92 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ndf h LYS 92 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1ndf h LYS 92 CO 0.04 0.33 0.00 0.36 -0.57 0.00 0.00 179.45 179.60 1ndf n LYS 93 N -3.27 2.87 -4.04 3.15 2.85 -0.86 -4.99 118.16 113.88 1ndf n LYS 93 Ca 0.02 -2.11 -0.10 0.00 -1.05 0.00 0.00 58.31 55.07 1ndf n LYS 93 Cb 0.59 -1.30 -0.11 0.00 -0.65 0.00 0.00 35.03 33.56 1ndf n LYS 93 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1ndf s MET 94 N -1.06 0.47 0.25 -1.58 -1.94 -0.74 -5.04 119.30 109.66 1ndf s MET 94 Ca 0.25 -0.79 -0.04 0.00 -1.71 0.00 0.00 55.69 53.40 1ndf s MET 94 Cb 0.13 -0.05 0.30 0.00 2.01 0.00 0.00 34.83 37.23 1ndf s MET 94 CO 0.16 -0.02 1.83 0.93 -0.01 0.00 0.00 175.02 177.91 1ndf h GLU 95 N 4.28 1.03 -2.44 2.03 5.08 -1.88 -3.41 114.58 119.27 1ndf h GLU 95 Ca -0.34 -0.18 -0.23 0.00 -1.00 0.00 0.00 59.36 57.61 1ndf h GLU 95 Cb 1.20 -0.17 -0.33 0.00 0.50 0.00 0.00 28.75 29.94 1ndf h GLU 95 CO 0.46 0.84 -0.55 1.21 -1.00 0.00 0.00 179.01 179.97 1ndf s ASN 96 N -6.44 0.70 0.62 1.42 3.84 -1.26 -4.58 114.94 109.23 1ndf s ASN 96 Ca -0.11 0.19 0.35 0.00 0.21 0.00 0.00 52.86 53.49 1ndf s ASN 96 Cb 0.16 0.72 1.98 0.00 -0.55 0.00 0.00 41.25 43.57 1ndf s ASN 96 CO 0.82 -0.29 2.24 4.11 -2.79 0.00 0.00 177.10 181.19 1ndf h TRP 97 N 8.26 0.00 0.00 0.43 5.08 -1.83 -3.16 115.95 124.73 1ndf h TRP 97 Ca -0.17 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.46 1ndf h TRP 97 Cb 1.14 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.24 1ndf h TRP 97 CO 0.21 0.00 -2.16 -0.11 -1.28 0.00 0.00 178.44 175.10 1ndf n LEU 98 N -3.52 0.30 -0.08 0.11 7.94 -1.26 -4.73 117.00 115.76 1ndf n LEU 98 Ca -0.02 0.14 -0.02 0.00 -1.11 0.00 0.00 56.01 55.00 1ndf n LEU 98 Cb 0.14 0.39 -0.02 0.00 0.53 0.00 0.00 43.42 44.46 1ndf n LEU 98 CO 0.24 0.46 0.41 -1.20 -1.11 0.00 0.00 177.39 176.19 1ndf n SER 99 N -2.85 -0.20 -0.15 1.96 7.64 -1.20 -0.47 113.62 118.35 1ndf n SER 99 Ca -0.28 0.98 -0.06 0.00 1.01 0.00 0.00 58.87 60.52 1ndf n SER 99 Cb 1.12 -0.37 0.02 0.00 -1.01 0.00 0.00 64.21 63.98 1ndf n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ndf h GLU 100 N 0.00 0.54 -0.62 1.43 4.81 -1.86 -1.45 114.58 117.44 1ndf h GLU 100 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ndf h GLU 100 Cb 0.08 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1ndf h GLU 100 CO -0.18 0.36 0.39 -1.49 -0.73 0.00 0.00 179.01 177.36 1ndf h TRP 101 N 0.56 0.80 -0.09 0.92 6.55 -1.72 -1.92 115.95 121.05 1ndf h TRP 101 Ca 0.18 0.01 -0.01 0.00 0.95 0.00 0.00 58.89 60.02 1ndf h TRP 101 Cb 0.01 -0.27 -0.00 0.00 -0.86 0.00 0.00 29.16 28.04 1ndf h TRP 101 CO -0.07 0.52 0.01 2.35 -1.05 0.00 0.00 178.44 180.20 1ndf h TRP 102 N 0.84 0.16 -0.70 0.49 2.91 -0.50 -0.27 115.95 118.87 1ndf h TRP 102 Ca 0.22 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.29 1ndf h TRP 102 Cb -0.06 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 28.49 1ndf h TRP 102 CO -0.02 0.38 0.38 1.25 -1.03 0.00 0.00 178.44 179.40 1ndf h LEU 103 N -0.11 0.55 0.01 0.65 5.85 -1.19 0.24 115.31 121.31 1ndf h LEU 103 Ca 0.03 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ndf h LEU 103 Cb 0.31 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1ndf h LEU 103 CO 0.00 0.34 -0.01 0.50 -0.34 0.00 0.00 178.44 178.94 1ndf h LYS 104 N 0.69 -0.02 -0.20 1.25 3.64 -1.28 -1.34 116.57 119.31 1ndf h LYS 104 Ca 0.33 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.67 1ndf h LYS 104 Cb 0.25 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1ndf h LYS 104 CO -0.21 0.44 -0.03 1.15 -2.27 0.00 0.00 179.45 178.52 1ndf h THR 105 N -0.47 1.28 0.00 1.00 2.02 -0.82 0.16 112.91 116.08 1ndf h THR 105 Ca -0.00 -0.99 -0.18 0.00 0.77 0.00 0.00 66.41 66.01 1ndf h THR 105 Cb 0.46 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1ndf h THR 105 CO 0.00 0.30 -0.85 0.00 0.37 0.00 0.00 175.52 175.34 1ndf h ALA 106 N 0.75 0.59 0.00 6.16 0.00 -0.66 -3.41 119.26 122.68 1ndf h ALA 106 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ndf h ALA 106 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ndf h ALA 106 CO 0.02 1.00 -0.04 0.66 0.00 0.00 0.00 179.25 180.89 1ndf n TYR 107 N -3.58 -1.17 -0.03 0.00 4.02 -0.87 -4.69 117.16 110.85 1ndf n TYR 107 Ca -0.02 0.21 0.10 0.00 -0.01 0.00 0.00 57.90 58.18 1ndf n TYR 107 Cb 0.80 0.28 0.51 0.00 -0.02 0.00 0.00 39.34 40.92 1ndf n TYR 107 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1ndf h LEU 108 N 0.00 0.33 -0.95 7.72 3.38 -1.15 -1.40 115.31 123.23 1ndf h LEU 108 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ndf h LEU 108 Cb 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ndf h LEU 108 CO 0.00 0.21 -0.20 0.00 0.09 0.00 0.00 178.44 178.54 1ndf n GLN 109 N -4.47 1.37 -2.63 1.13 6.02 0.56 -1.51 117.38 117.85 1ndf n GLN 109 Ca 0.07 -0.95 -0.43 0.00 -0.01 0.00 0.00 57.00 55.68 1ndf n GLN 109 Cb 0.29 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 1ndf n GLN 109 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 1ndf s PHE 110 N -2.29 2.93 -2.01 1.08 5.36 -0.53 -4.91 117.98 117.60 1ndf s PHE 110 Ca 0.27 0.85 0.27 0.00 -0.96 0.00 0.00 56.93 57.36 1ndf s PHE 110 Cb 0.20 -4.18 0.80 0.00 -0.34 0.00 0.00 43.02 39.50 1ndf s PHE 110 CO 0.45 -1.10 1.59 0.54 -1.46 0.00 0.00 175.22 175.24 1ndf n ARG 111 N 7.50 1.13 -1.29 10.12 5.12 -1.26 -4.90 116.66 133.07 1ndf n ARG 111 Ca 0.12 -0.68 -0.30 0.00 -1.93 0.00 0.00 57.85 55.05 1ndf n ARG 111 Cb 0.48 -1.49 0.10 0.00 -1.16 0.00 0.00 32.46 30.40 1ndf n ARG 111 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1ndf s GLN 112 N -2.34 1.96 0.56 5.56 -1.52 -1.26 -0.76 119.66 121.85 1ndf s GLN 112 Ca 0.28 0.99 -0.20 0.00 -1.95 0.00 0.00 55.36 54.48 1ndf s GLN 112 Cb 0.20 -1.88 -0.05 0.00 -0.22 0.00 0.00 33.01 31.06 1ndf s GLN 112 CO 0.46 -1.80 1.14 -2.30 -0.25 0.00 0.00 175.29 172.54 1ndf n PRO 113 N -3.61 1.25 0.19 2.91 -0.02 -1.26 -4.33 135.00 130.14 1ndf n PRO 113 Ca 0.08 0.47 0.08 0.00 -2.02 0.00 0.00 63.50 62.10 1ndf n PRO 113 Cb 0.54 -2.33 0.29 0.00 -0.02 0.00 0.00 33.50 31.98 1ndf n PRO 113 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1ndf h VAL 114 N 0.95 0.61 -2.84 -1.45 -1.51 -1.83 -3.37 116.25 106.80 1ndf h VAL 114 Ca -0.49 -1.47 -0.53 0.00 -1.23 0.00 0.00 66.70 62.98 1ndf h VAL 114 Cb 1.34 2.00 0.03 0.00 -2.13 0.00 0.00 31.29 32.53 1ndf h VAL 114 CO 0.54 0.29 0.87 -0.69 -1.23 0.00 0.00 177.57 177.35 1ndf s VAL 115 N -3.38 2.91 0.00 7.19 1.01 -1.26 -0.05 120.40 126.81 1ndf s VAL 115 Ca 0.02 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1ndf s VAL 115 Cb 0.09 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1ndf s VAL 115 CO 0.68 0.03 0.00 -0.38 0.00 0.00 0.00 175.10 175.43 1ndf n ILE 116 N 4.15 0.00 0.31 2.22 5.41 -1.26 -4.45 119.36 125.74 1ndf n ILE 116 Ca 0.14 0.00 0.13 0.00 1.00 0.00 0.00 62.75 64.02 1ndf n ILE 116 Cb 0.40 0.00 0.30 0.00 -0.71 0.00 0.00 39.64 39.63 1ndf n ILE 116 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1ndf h TYR 117 N 0.00 0.00 0.00 1.39 -1.99 -1.72 -0.58 116.97 114.07 1ndf h TYR 117 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ndf h TYR 117 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1ndf h TYR 117 CO 0.00 0.00 -0.18 0.45 -0.00 0.00 0.00 178.16 178.43 1ndf n SER 118 N -2.92 0.04 -4.64 3.88 2.88 -0.39 -4.82 113.62 107.65 1ndf n SER 118 Ca 0.04 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.15 1ndf n SER 118 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.91 1ndf n SER 118 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ndf s SER 119 N -4.90 6.80 0.44 -3.46 0.01 0.92 -4.55 113.70 108.97 1ndf s SER 119 Ca 0.00 1.30 -0.23 0.00 1.31 0.00 0.00 55.95 58.33 1ndf s SER 119 Cb 0.00 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 1ndf s SER 119 CO 0.00 -0.95 1.08 -2.84 0.41 0.00 0.00 173.24 170.94 1ndf s PRO 120 N 3.88 3.94 0.22 12.44 0.02 -1.19 -4.35 135.00 149.96 1ndf s PRO 120 Ca 0.53 1.55 0.06 0.00 0.02 0.00 0.00 61.00 63.17 1ndf s PRO 120 Cb -0.17 -2.38 -0.04 0.00 0.02 0.00 0.00 34.50 31.93 1ndf s PRO 120 CO 0.19 -0.34 0.18 0.20 -0.33 0.00 0.00 177.00 176.89 1ndf s GLY 121 N -1.62 1.51 -0.01 0.52 0.00 -0.17 -2.09 107.32 105.47 1ndf s GLY 121 Ca 0.62 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 44.00 1ndf s GLY 121 CO 0.28 -1.38 -0.03 0.14 0.00 0.00 0.00 173.10 172.10 1ndf s VAL 122 N -2.01 0.27 -0.19 1.40 1.01 0.25 -1.51 120.40 119.63 1ndf s VAL 122 Ca 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 1ndf s VAL 122 Cb -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 36.38 36.03 1ndf s VAL 122 CO 0.24 0.10 -0.10 -0.63 0.00 0.00 0.00 175.10 174.71 1ndf s ILE 123 N 0.16 2.98 0.40 2.22 1.01 -0.46 -1.31 121.20 126.20 1ndf s ILE 123 Ca -0.01 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.07 1ndf s ILE 123 Cb -0.04 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1ndf s ILE 123 CO -0.00 0.48 0.53 -0.76 0.00 0.00 0.00 174.94 175.19 1ndf s LEU 124 N 1.12 3.69 0.07 2.97 1.43 -0.22 -2.55 118.68 125.19 1ndf s LEU 124 Ca 0.01 -0.40 -0.32 0.00 -1.03 0.00 0.00 54.13 52.38 1ndf s LEU 124 Cb -0.14 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.34 1ndf s LEU 124 CO -0.03 -0.69 1.83 -2.65 0.23 0.00 0.00 176.35 175.04 1ndf n PRO 125 N -1.78 2.56 -1.67 1.29 -0.02 -1.26 -4.48 135.00 129.63 1ndf n PRO 125 Ca 0.06 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 62.05 1ndf n PRO 125 Cb 0.59 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1ndf n PRO 125 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ndf n LYS 126 N 5.81 1.88 -2.99 -0.52 4.81 -1.26 -4.69 118.16 121.20 1ndf n LYS 126 Ca 0.19 0.66 -0.21 0.00 -0.87 0.00 0.00 58.31 58.08 1ndf n LYS 126 Cb 0.35 -2.25 0.01 0.00 0.02 0.00 0.00 35.03 33.16 1ndf n LYS 126 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1ndf s GLN 127 N -1.96 2.94 0.02 1.64 -1.52 -0.03 -4.97 119.66 115.78 1ndf s GLN 127 Ca 0.58 -0.68 -0.12 0.00 -1.95 0.00 0.00 55.36 53.19 1ndf s GLN 127 Cb -0.56 -2.60 -0.33 0.00 -0.22 0.00 0.00 33.01 29.30 1ndf s GLN 127 CO 0.60 -0.32 0.93 0.38 -0.25 0.00 0.00 175.29 176.63 1ndf h ASP 128 N 0.42 0.69 -0.77 5.90 3.04 -1.94 -3.43 116.42 120.33 1ndf h ASP 128 Ca -0.45 -0.81 -0.46 0.00 -3.24 0.00 0.00 57.03 52.07 1ndf h ASP 128 Cb 1.26 -0.22 0.08 0.00 -1.04 0.00 0.00 39.33 39.41 1ndf h ASP 128 CO 0.55 1.65 -0.42 2.22 -2.04 0.00 0.00 179.24 181.20 1ndf n PHE 129 N -3.63 -0.52 -0.15 4.15 1.16 -1.26 -4.91 117.46 112.30 1ndf n PHE 129 Ca -0.17 0.64 0.00 0.00 -1.87 0.00 0.00 57.45 56.05 1ndf n PHE 129 Cb 1.08 -1.35 0.00 0.00 -1.61 0.00 0.00 39.48 37.60 1ndf n PHE 129 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 1ndf n VAL 130 N -0.11 0.00 -4.43 1.97 0.24 -1.26 -4.33 118.33 110.41 1ndf n VAL 130 Ca 0.12 -0.34 -0.21 0.00 -2.04 0.00 0.00 64.34 61.86 1ndf n VAL 130 Cb 0.19 1.15 -0.10 0.00 -1.47 0.00 0.00 33.84 33.61 1ndf n VAL 130 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1ndf s ASP 131 N -0.35 2.74 0.18 -1.34 1.47 -1.26 -5.02 116.67 113.09 1ndf s ASP 131 Ca 0.00 -1.20 -0.16 0.00 1.18 0.00 0.00 52.55 52.37 1ndf s ASP 131 Cb 0.00 -0.16 0.14 0.00 -0.34 0.00 0.00 42.92 42.55 1ndf s ASP 131 CO 0.00 -0.36 1.67 -0.07 0.68 0.00 0.00 175.17 177.09 1ndf h LEU 132 N 2.27 -0.36 -1.95 2.11 -0.00 -1.98 -0.02 115.31 115.39 1ndf h LEU 132 Ca -0.40 0.13 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1ndf h LEU 132 Cb 1.23 0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 42.15 1ndf h LEU 132 CO 0.67 -0.13 -0.01 0.06 -0.00 0.00 0.00 178.44 179.04 1ndf h GLN 133 N 0.03 0.02 -0.01 1.13 -0.00 -1.98 -0.73 115.11 113.56 1ndf h GLN 133 Ca 0.22 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.86 1ndf h GLN 133 Cb 0.34 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.81 1ndf h GLN 133 CO -0.44 0.03 -0.03 0.78 -0.00 0.00 0.00 178.83 179.17 1ndf h GLY 134 N 0.07 0.04 0.32 0.06 0.00 -1.49 -0.23 103.07 101.85 1ndf h GLY 134 Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.36 1ndf h GLY 134 CO 0.00 0.05 0.05 -1.61 0.00 0.00 0.00 176.54 175.03 1ndf h GLN 135 N -0.58 0.17 -0.16 4.80 4.15 -0.55 0.35 115.11 123.28 1ndf h GLN 135 Ca -0.00 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 1ndf h GLN 135 Cb 0.67 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1ndf h GLN 135 CO 0.01 0.11 -0.24 -0.07 -1.93 0.00 0.00 178.83 176.70 1ndf h LEU 136 N 0.18 0.28 -0.21 -2.39 3.38 -1.18 0.21 115.31 115.57 1ndf h LEU 136 Ca 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1ndf h LEU 136 Cb 0.33 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ndf h LEU 136 CO -0.34 0.53 0.08 -0.09 0.09 0.00 0.00 178.44 178.71 1ndf h ARG 137 N 0.25 0.32 -0.12 1.13 9.65 0.11 0.18 114.38 125.91 1ndf h ARG 137 Ca 0.04 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1ndf h ARG 137 Cb 0.58 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 1ndf h ARG 137 CO 0.04 0.39 -0.01 0.35 2.80 0.00 0.00 179.97 183.53 1ndf h PHE 138 N 0.18 0.24 -0.75 2.20 3.57 -0.07 -0.34 116.94 121.97 1ndf h PHE 138 Ca 0.07 -0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.64 1ndf h PHE 138 Cb 0.19 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.79 1ndf h PHE 138 CO -0.01 0.49 0.35 0.00 -2.23 0.00 0.00 178.31 176.91 1ndf h ALA 139 N 0.72 1.06 -0.72 2.41 0.00 -0.48 0.31 119.26 122.56 1ndf h ALA 139 Ca 0.03 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1ndf h ALA 139 Cb 0.40 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ndf h ALA 139 CO 0.01 -0.12 0.26 0.00 0.00 0.00 0.00 179.25 179.40 1ndf h ALA 140 N 1.50 0.94 -0.33 0.00 0.00 -0.37 -1.54 119.26 119.45 1ndf h ALA 140 Ca 0.39 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1ndf h ALA 140 Cb 0.52 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ndf h ALA 140 CO -0.34 0.58 -0.25 0.87 0.00 0.00 0.00 179.25 180.12 1ndf h LYS 141 N 1.04 0.67 -0.37 0.00 1.79 0.74 -2.78 116.57 117.66 1ndf h LYS 141 Ca 0.24 -0.27 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1ndf h LYS 141 Cb 0.25 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 1ndf h LYS 141 CO -0.02 0.85 0.16 1.25 -1.08 0.00 0.00 179.45 180.62 1ndf h LEU 142 N 0.58 0.49 -0.27 2.94 6.46 -0.05 -1.86 115.31 123.61 1ndf h LEU 142 Ca 0.08 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1ndf h LEU 142 Cb 0.73 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1ndf h LEU 142 CO 0.06 0.51 0.08 0.40 -0.62 0.00 0.00 178.44 178.86 1ndf h ILE 143 N 0.45 0.91 -0.92 4.05 2.04 -1.17 -1.74 117.51 121.11 1ndf h ILE 143 Ca 0.12 -0.07 0.01 0.00 1.00 0.00 0.00 64.86 65.93 1ndf h ILE 143 Cb 0.16 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1ndf h ILE 143 CO -0.01 0.03 0.61 -0.08 0.00 0.00 0.00 178.15 178.70 1ndf h GLU 144 N 0.19 1.21 -0.27 2.37 4.81 -1.36 -1.87 114.58 119.66 1ndf h GLU 144 Ca 0.12 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1ndf h GLU 144 Cb 0.10 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1ndf h GLU 144 CO -0.14 0.80 0.17 0.78 -0.73 0.00 0.00 179.01 179.89 1ndf h GLY 145 N 1.24 0.37 0.97 1.92 0.00 -0.60 -0.84 103.07 106.13 1ndf h GLY 145 Ca 0.34 -0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.55 1ndf h GLY 145 CO -0.08 0.12 0.23 -2.08 0.00 0.00 0.00 176.54 174.73 1ndf h VAL 146 N 0.34 1.07 -0.72 4.60 2.07 -0.88 -1.47 116.25 121.27 1ndf h VAL 146 Ca 0.10 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1ndf h VAL 146 Cb -0.02 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.28 1ndf h VAL 146 CO -0.04 0.08 0.48 -0.07 0.02 0.00 0.00 177.57 178.04 1ndf h LEU 147 N 0.46 0.82 -0.72 2.57 3.38 -1.10 0.57 115.31 121.29 1ndf h LEU 147 Ca 0.14 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ndf h LEU 147 Cb -0.03 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1ndf h LEU 147 CO -0.04 0.59 0.42 -0.78 0.09 0.00 0.00 178.44 178.72 1ndf h ASP 148 N 0.97 0.88 -0.38 -0.43 3.58 -0.44 -0.53 116.42 120.07 1ndf h ASP 148 Ca 0.26 -0.08 -0.06 0.00 0.42 0.00 0.00 57.03 57.57 1ndf h ASP 148 Cb -0.11 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 40.71 1ndf h ASP 148 CO -0.06 0.70 -0.01 0.15 -2.88 0.00 0.00 179.24 177.14 1ndf h PHE 149 N 0.98 0.75 -0.31 0.28 3.04 -0.03 -2.63 116.94 119.02 1ndf h PHE 149 Ca 0.26 -0.13 0.09 0.00 3.98 0.00 0.00 57.97 62.16 1ndf h PHE 149 Cb -0.00 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1ndf h PHE 149 CO -0.01 0.77 0.23 -0.22 -2.02 0.00 0.00 178.31 177.07 1ndf h LYS 150 N 0.50 0.00 -0.09 1.11 3.64 0.78 -2.26 116.57 120.26 1ndf h LYS 150 Ca 0.11 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1ndf h LYS 150 Cb 0.48 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1ndf h LYS 150 CO 0.02 0.00 -0.11 0.77 -2.27 0.00 0.00 179.45 177.87 1ndf h SER 151 N 0.00 -0.32 0.03 4.20 0.02 -0.73 0.35 113.55 117.10 1ndf h SER 151 Ca 0.15 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1ndf h SER 151 Cb 0.61 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1ndf h SER 151 CO -0.00 -0.14 -0.06 0.24 -1.14 0.00 0.00 176.83 175.72 1ndf h MET 152 N -0.14 0.08 0.26 3.45 2.86 -1.50 0.51 114.93 120.46 1ndf h MET 152 Ca 0.07 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1ndf h MET 152 Cb 0.24 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1ndf h MET 152 CO -0.17 0.15 -0.12 0.82 1.06 0.00 0.00 176.91 178.65 1ndf h ILE 153 N 0.08 0.66 -0.68 -1.22 2.04 -1.04 0.58 117.51 117.94 1ndf h ILE 153 Ca 0.02 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 64.99 1ndf h ILE 153 Cb 0.16 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1ndf h ILE 153 CO 0.01 0.15 0.30 0.44 0.00 0.00 0.00 178.15 179.05 1ndf h ASP 154 N -0.87 0.91 0.65 1.72 3.32 -0.12 -2.07 116.42 119.96 1ndf h ASP 154 Ca -0.04 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1ndf h ASP 154 Cb 0.51 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1ndf h ASP 154 CO 0.06 0.81 -0.02 0.59 -1.72 0.00 0.00 179.24 178.96 1ndf n ASN 155 N -4.43 0.04 -3.38 6.45 4.13 0.18 -4.91 115.26 113.35 1ndf n ASN 155 Ca 0.05 -0.03 -0.24 0.00 1.68 0.00 0.00 54.58 56.04 1ndf n ASN 155 Cb 0.15 -0.31 0.04 0.00 -1.54 0.00 0.00 39.78 38.12 1ndf n ASN 155 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ndf n GLU 156 N -1.32 -5.39 -0.34 3.52 1.02 0.14 -4.85 120.64 113.42 1ndf n GLU 156 Ca 0.12 0.75 0.08 0.00 -0.02 0.00 0.00 57.16 58.10 1ndf n GLU 156 Cb 0.27 -5.63 0.25 0.00 -0.02 0.00 0.00 31.44 26.31 1ndf n GLU 156 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ndf n THR 157 N -4.55 1.27 -1.87 2.62 -2.24 0.15 -4.97 114.28 104.70 1ndf n THR 157 Ca -0.04 -1.12 -0.42 0.00 -2.27 0.00 0.00 64.05 60.20 1ndf n THR 157 Cb 0.57 0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1ndf n THR 157 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ndf s LEU 158 N -1.32 4.37 0.15 3.22 2.96 -1.08 -4.89 118.68 122.09 1ndf s LEU 158 Ca 0.38 2.44 -0.33 0.00 -0.22 0.00 0.00 54.13 56.40 1ndf s LEU 158 Cb 0.22 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 43.21 1ndf s LEU 158 CO 0.22 -0.97 1.05 -2.65 -1.32 0.00 0.00 176.35 172.68 1ndf n PRO 159 N 7.02 0.82 -2.32 0.98 -0.02 -1.26 -4.88 135.00 135.33 1ndf n PRO 159 Ca 0.18 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 1ndf n PRO 159 Cb 0.42 -1.71 -0.03 0.00 -0.02 0.00 0.00 33.50 32.16 1ndf n PRO 159 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ndf s VAL 160 N -0.32 4.03 0.16 -1.45 1.01 -1.26 -5.01 120.40 117.56 1ndf s VAL 160 Ca 0.74 1.32 -0.09 0.00 0.00 0.00 0.00 61.98 63.95 1ndf s VAL 160 Cb -0.92 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 31.54 1ndf s VAL 160 CO 0.54 -0.06 0.46 -1.61 0.00 0.00 0.00 175.10 174.43 1ndf s GLU 161 N 2.95 3.75 0.08 2.72 2.02 -1.26 -5.00 118.70 123.96 1ndf s GLU 161 Ca 0.60 0.16 0.06 0.00 0.02 0.00 0.00 54.97 55.80 1ndf s GLU 161 Cb -0.27 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 1ndf s GLU 161 CO 0.22 0.44 -0.16 -0.06 0.02 0.00 0.00 175.26 175.71 1ndf s PHE 162 N -1.64 1.38 -0.08 1.61 0.40 -1.26 -0.96 117.98 117.43 1ndf s PHE 162 Ca 0.41 -0.45 0.14 0.00 -0.60 0.00 0.00 56.93 56.43 1ndf s PHE 162 Cb -0.12 -0.77 -0.23 0.00 0.51 0.00 0.00 43.02 42.41 1ndf s PHE 162 CO 0.21 0.10 0.57 -0.11 0.70 0.00 0.00 175.22 176.69 1ndf n LEU 163 N 1.21 0.71 0.00 -0.37 -0.00 -0.64 -4.82 117.00 113.09 1ndf n LEU 163 Ca -0.21 0.34 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1ndf n LEU 163 Cb 0.54 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 1ndf n LEU 163 CO 0.22 0.39 0.00 0.61 -0.00 0.00 0.00 177.39 178.61 1ndf n GLY 164 N 1.58 -0.40 0.00 -3.96 0.00 -1.26 -4.91 105.19 96.24 1ndf n GLY 164 Ca -0.19 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1ndf n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ndf n GLY 165 N 0.00 0.29 3.24 -0.02 0.00 -1.26 -5.06 105.19 102.39 1ndf n GLY 165 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ndf n GLY 165 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ndf s GLN 166 N -0.98 3.19 0.63 1.61 0.00 -1.26 -5.11 119.66 117.73 1ndf s GLN 166 Ca 0.00 -0.76 -0.18 0.00 -0.00 0.00 0.00 55.36 54.42 1ndf s GLN 166 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 33.01 30.34 1ndf s GLN 166 CO 0.00 -0.04 1.17 -2.30 0.00 0.00 0.00 175.29 174.13 1ndf n PRO 167 N 4.20 1.07 -4.85 9.60 -0.02 -1.26 -1.62 135.00 142.11 1ndf n PRO 167 Ca -0.19 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.38 1ndf n PRO 167 Cb 0.51 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 1ndf n PRO 167 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1ndf s LEU 168 N -3.42 2.62 0.28 2.45 1.43 -0.14 -4.51 118.68 117.40 1ndf s LEU 168 Ca 0.80 -0.31 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 1ndf s LEU 168 Cb -0.40 -1.53 -0.11 0.00 0.03 0.00 0.00 46.19 44.19 1ndf s LEU 168 CO 0.43 0.31 1.53 0.00 0.23 0.00 0.00 176.35 178.85 1ndf n MET 170 N 2.08 2.58 -0.18 0.00 0.00 -1.26 -4.69 117.12 115.64 1ndf n MET 170 Ca 0.07 -2.03 0.07 0.00 0.00 0.00 0.00 57.70 55.82 1ndf n MET 170 Cb 0.39 -1.30 0.36 0.00 0.00 0.00 0.00 33.22 32.66 1ndf n MET 170 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 175.97 175.00 1ndf h ASN 171 N 2.39 0.64 -0.13 7.83 -1.24 -1.97 -2.46 115.58 120.64 1ndf h ASN 171 Ca 0.00 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.05 1ndf h ASN 171 Cb 0.74 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1ndf h ASN 171 CO 0.00 0.41 0.11 1.56 -1.29 0.00 0.00 177.43 178.21 1ndf h GLN 172 N 0.73 0.00 0.00 6.67 4.20 -1.94 -1.13 115.11 123.64 1ndf h GLN 172 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1ndf h GLN 172 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1ndf h GLN 172 CO -0.11 0.00 0.00 1.88 -0.67 0.00 0.00 178.83 179.93 1ndf h TYR 173 N 0.00 0.00 -0.56 2.96 0.05 -1.81 -2.88 116.97 114.74 1ndf h TYR 173 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1ndf h TYR 173 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 1ndf h TYR 173 CO 0.00 0.00 0.00 0.66 -1.05 0.00 0.00 178.16 177.77 1ndf n TYR 174 N -2.77 1.87 0.00 4.88 4.02 -0.43 -4.21 117.16 120.51 1ndf n TYR 174 Ca 0.01 -0.72 0.00 0.00 -0.01 0.00 0.00 57.90 57.18 1ndf n TYR 174 Cb 0.27 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 1ndf n TYR 174 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ndf n GLN 175 N 0.59 1.57 0.09 -0.72 1.13 -1.09 -4.81 117.38 114.15 1ndf n GLN 175 Ca 0.27 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.19 1ndf n GLN 175 Cb 1.12 -0.87 -0.10 0.00 0.11 0.00 0.00 30.24 30.49 1ndf n GLN 175 CO 0.00 0.00 0.00 -0.84 -1.44 0.00 0.00 177.06 174.78 1ndf h ILE 176 N 0.00 1.50 -3.29 5.09 3.07 -1.73 -3.42 117.51 118.73 1ndf h ILE 176 Ca 0.00 -2.92 -0.56 0.00 1.55 0.00 0.00 64.86 62.93 1ndf h ILE 176 Cb 0.00 2.78 -0.04 0.00 -0.27 0.00 0.00 36.82 39.29 1ndf h ILE 176 CO 0.00 0.85 -0.14 -0.76 -1.05 0.00 0.00 178.15 177.05 1ndf s LEU 177 N -7.26 4.30 -1.41 0.16 1.43 -1.26 -4.25 118.68 110.39 1ndf s LEU 177 Ca -0.04 0.95 -0.04 0.00 -1.03 0.00 0.00 54.13 53.97 1ndf s LEU 177 Cb 0.08 -3.29 0.03 0.00 0.03 0.00 0.00 46.19 43.04 1ndf s LEU 177 CO 0.87 0.08 0.69 -1.20 0.23 0.00 0.00 176.35 177.02 1ndf n SER 178 N 0.60 -1.87 -4.18 2.29 7.64 -0.24 -4.45 113.62 113.40 1ndf n SER 178 Ca -0.05 -0.88 -0.11 0.00 1.01 0.00 0.00 58.87 58.85 1ndf n SER 178 Cb 0.52 -3.65 -0.10 0.00 -1.01 0.00 0.00 64.21 59.96 1ndf n SER 178 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ndf s SER 179 N -4.06 0.77 -0.13 6.43 1.04 -1.26 -0.40 113.70 116.09 1ndf s SER 179 Ca 0.20 -1.14 -0.30 0.00 0.48 0.00 0.00 55.95 55.19 1ndf s SER 179 Cb -0.10 0.19 0.11 0.00 0.10 0.00 0.00 66.02 66.32 1ndf s SER 179 CO 0.84 -0.62 0.92 0.00 0.98 0.00 0.00 173.24 175.37 1ndf s ARG 181 N -1.13 4.31 -0.11 0.00 3.52 0.23 -0.71 118.95 125.06 1ndf s ARG 181 Ca -0.04 0.88 0.03 0.00 -0.13 0.00 0.00 55.73 56.47 1ndf s ARG 181 Cb -0.00 -3.12 0.01 0.00 -1.56 0.00 0.00 34.95 30.28 1ndf s ARG 181 CO 0.04 0.54 -0.19 0.08 -0.81 0.00 0.00 175.30 174.95 1ndf s VAL 182 N -1.27 1.75 0.48 7.11 1.01 0.83 -4.77 120.40 125.53 1ndf s VAL 182 Ca 0.36 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.28 1ndf s VAL 182 Cb -0.19 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.56 1ndf s VAL 182 CO 0.22 0.49 1.30 -2.65 0.00 0.00 0.00 175.10 174.45 1ndf n PRO 183 N 3.88 1.83 -4.10 2.72 -0.02 -1.26 -1.35 135.00 136.71 1ndf n PRO 183 Ca -0.20 0.66 -0.14 0.00 -2.02 0.00 0.00 63.50 61.80 1ndf n PRO 183 Cb 0.52 -2.46 -0.13 0.00 -0.02 0.00 0.00 33.50 31.41 1ndf n PRO 183 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1ndf s GLY 184 N -0.68 0.40 0.53 -1.23 0.00 -1.24 -4.77 107.32 100.32 1ndf s GLY 184 Ca 0.65 -0.53 0.23 0.00 0.00 0.00 0.00 44.72 45.07 1ndf s GLY 184 CO 0.55 -0.55 2.13 -0.56 0.00 0.00 0.00 173.10 174.67 1ndf h PRO 185 N 5.14 0.00 0.00 2.90 0.13 -1.92 -3.32 132.00 134.93 1ndf h PRO 185 Ca -0.32 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 1ndf h PRO 185 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1ndf h PRO 185 CO 0.45 0.07 -1.50 1.17 -0.23 0.00 0.00 178.00 177.96 1ndf n LYS 186 N -4.05 0.20 -3.77 0.86 4.81 -1.26 -4.96 118.16 109.99 1ndf n LYS 186 Ca -0.03 0.07 -0.12 0.00 -0.87 0.00 0.00 58.31 57.36 1ndf n LYS 186 Cb 0.16 -1.01 -0.08 0.00 0.02 0.00 0.00 35.03 34.12 1ndf n LYS 186 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1ndf s GLN 187 N -2.17 0.76 0.97 1.64 -2.07 -1.25 -4.89 119.66 112.65 1ndf s GLN 187 Ca -0.12 -0.45 -0.16 0.00 -1.82 0.00 0.00 55.36 52.81 1ndf s GLN 187 Cb 0.04 0.33 0.21 0.00 -1.09 0.00 0.00 33.01 32.50 1ndf s GLN 187 CO 0.18 -0.23 1.33 -0.51 -1.32 0.00 0.00 175.29 174.73 1ndf s ASP 188 N -1.90 3.00 0.22 12.60 1.11 -0.57 -3.62 116.67 127.52 1ndf s ASP 188 Ca -0.07 0.17 -0.03 0.00 0.18 0.00 0.00 52.55 52.80 1ndf s ASP 188 Cb -0.02 -0.17 -0.03 0.00 1.07 0.00 0.00 42.92 43.77 1ndf s ASP 188 CO -0.02 -2.80 0.24 -0.94 1.18 0.00 0.00 175.17 172.83 1ndf s SER 189 N -4.92 0.20 -0.04 0.27 1.04 -0.46 -4.86 113.70 104.94 1ndf s SER 189 Ca 0.75 -1.30 0.04 0.00 0.48 0.00 0.00 55.95 55.92 1ndf s SER 189 Cb -0.03 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 1ndf s SER 189 CO 0.53 -0.94 -0.14 -0.69 0.98 0.00 0.00 173.24 172.98 1ndf s VAL 190 N -4.05 1.19 -0.04 5.02 1.01 -1.26 -0.12 120.40 122.14 1ndf s VAL 190 Ca 0.35 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1ndf s VAL 190 Cb 0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1ndf s VAL 190 CO 0.12 0.35 -0.06 0.68 0.00 0.00 0.00 175.10 176.20 1ndf s VAL 191 N 0.08 3.79 -0.15 2.92 -7.23 0.11 -4.96 120.40 114.96 1ndf s VAL 191 Ca -0.03 -0.55 -0.04 0.00 -1.81 0.00 0.00 61.98 59.55 1ndf s VAL 191 Cb -0.10 -2.59 0.05 0.00 0.56 0.00 0.00 36.38 34.30 1ndf s VAL 191 CO 0.01 0.52 0.07 0.21 -0.31 0.00 0.00 175.10 175.60 1ndf s ASN 192 N -1.06 2.24 0.00 4.85 3.04 -1.26 -1.24 114.94 121.51 1ndf s ASN 192 Ca 0.14 -0.52 0.23 0.00 0.04 0.00 0.00 52.86 52.75 1ndf s ASN 192 Cb -0.11 -0.31 0.47 0.00 -1.54 0.00 0.00 41.25 39.76 1ndf s ASN 192 CO 0.04 -0.32 1.43 0.49 -3.04 0.00 0.00 177.10 175.71 1ndf n PHE 193 N 5.23 0.58 -0.29 0.43 3.01 0.47 -4.54 117.46 122.34 1ndf n PHE 193 Ca -0.07 -0.29 0.12 0.00 1.01 0.00 0.00 57.45 58.22 1ndf n PHE 193 Cb 0.49 0.00 0.35 0.00 -0.01 0.00 0.00 39.48 40.31 1ndf n PHE 193 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1ndf h LEU 194 N 4.44 0.70 -3.62 4.37 5.85 -1.78 -2.59 115.31 122.68 1ndf h LEU 194 Ca 0.00 0.05 -0.43 0.00 0.84 0.00 0.00 57.88 58.33 1ndf h LEU 194 Cb 0.98 -0.09 -0.30 0.00 0.37 0.00 0.00 40.66 41.63 1ndf h LEU 194 CO 0.00 0.35 -0.41 0.29 -0.34 0.00 0.00 178.44 178.33 1ndf n LYS 195 N -4.59 2.90 -2.27 1.25 5.02 -1.26 -4.83 118.16 114.39 1ndf n LYS 195 Ca 0.18 -3.76 -0.26 0.00 -2.02 0.00 0.00 58.31 52.45 1ndf n LYS 195 Cb 0.47 -2.11 0.05 0.00 -0.02 0.00 0.00 35.03 33.42 1ndf n LYS 195 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1ndf s SER 196 N -3.12 5.09 0.10 4.39 1.04 -0.98 -4.99 113.70 115.25 1ndf s SER 196 Ca 0.50 0.55 -0.22 0.00 0.48 0.00 0.00 55.95 57.26 1ndf s SER 196 Cb 0.42 -1.32 -0.06 0.00 0.10 0.00 0.00 66.02 65.16 1ndf s SER 196 CO 0.01 -1.41 1.37 0.11 0.98 0.00 0.00 173.24 174.31 1ndf h LYS 197 N -0.45 -0.11 -3.25 4.02 1.79 -1.97 -3.13 116.57 113.48 1ndf h LYS 197 Ca -0.45 0.01 -0.65 0.00 -2.18 0.00 0.00 60.65 57.38 1ndf h LYS 197 Cb 1.29 0.03 -0.39 0.00 -1.58 0.00 0.00 32.23 31.58 1ndf h LYS 197 CO 0.60 -0.07 -0.43 -0.98 -1.08 0.00 0.00 179.45 177.48 1ndf s ARG 198 N -4.76 2.61 0.30 3.15 1.70 -1.26 -5.09 118.95 115.59 1ndf s ARG 198 Ca -0.09 -3.13 -0.27 0.00 -0.47 0.00 0.00 55.73 51.77 1ndf s ARG 198 Cb 0.07 -3.58 -0.14 0.00 -0.57 0.00 0.00 34.95 30.73 1ndf s ARG 198 CO 0.42 -1.24 0.89 -2.30 -1.08 0.00 0.00 175.30 172.00 1ndf n PRO 199 N 2.41 1.07 -1.73 3.89 -0.02 -1.18 -4.90 135.00 134.54 1ndf n PRO 199 Ca 0.16 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.64 1ndf n PRO 199 Cb 0.35 -1.70 0.05 0.00 -0.02 0.00 0.00 33.50 32.19 1ndf n PRO 199 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ndf n PRO 200 N 0.71 1.48 -0.26 0.52 -0.02 -1.26 -4.91 135.00 131.27 1ndf n PRO 200 Ca 0.11 0.55 0.05 0.00 -2.02 0.00 0.00 63.50 62.19 1ndf n PRO 200 Cb 0.32 -2.53 0.07 0.00 -0.02 0.00 0.00 33.50 31.34 1ndf n PRO 200 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1ndf n THR 201 N -1.31 0.97 -4.26 3.45 -2.24 -1.26 -4.90 114.28 104.73 1ndf n THR 201 Ca 0.12 -1.15 -0.17 0.00 -2.27 0.00 0.00 64.05 60.57 1ndf n THR 201 Cb 0.46 0.14 -0.11 0.00 -2.10 0.00 0.00 70.33 68.72 1ndf n THR 201 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1ndf s HIS 202 N -1.46 1.44 0.39 4.78 -3.43 -1.26 -0.53 115.29 115.22 1ndf s HIS 202 Ca 0.16 -0.60 0.08 0.00 -0.80 0.00 0.00 55.06 53.90 1ndf s HIS 202 Cb 0.14 -0.73 -0.07 0.00 -1.43 0.00 0.00 32.58 30.49 1ndf s HIS 202 CO 0.01 0.18 0.01 0.96 -2.00 0.00 0.00 174.74 173.90 1ndf s ILE 203 N -2.54 2.16 -0.10 -5.38 -4.36 0.10 -0.72 121.20 110.37 1ndf s ILE 203 Ca 0.13 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.52 1ndf s ILE 203 Cb -0.03 -2.89 -0.02 0.00 1.25 0.00 0.00 42.46 40.77 1ndf s ILE 203 CO 0.03 -0.07 -0.12 0.42 0.24 0.00 0.00 174.94 175.45 1ndf s THR 204 N -2.65 3.22 -0.08 8.37 -4.23 -0.78 -0.93 115.64 118.56 1ndf s THR 204 Ca 0.35 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.25 1ndf s THR 204 Cb 0.06 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 1ndf s THR 204 CO 0.18 0.55 -0.12 -0.69 -0.54 0.00 0.00 174.62 174.00 1ndf s VAL 205 N -0.16 3.19 -0.20 2.29 1.01 -0.60 -0.83 120.40 125.10 1ndf s VAL 205 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1ndf s VAL 205 Cb -0.13 -2.29 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1ndf s VAL 205 CO 0.03 0.56 -0.17 -0.69 0.00 0.00 0.00 175.10 174.83 1ndf s VAL 206 N -0.32 2.13 -0.08 2.92 1.01 0.31 -0.67 120.40 125.71 1ndf s VAL 206 Ca 0.03 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1ndf s VAL 206 Cb -0.13 -1.99 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1ndf s VAL 206 CO 0.03 0.40 -0.02 -2.28 0.00 0.00 0.00 175.10 173.22 1ndf s HIS 207 N 1.25 0.83 -1.25 5.22 5.04 -0.45 -1.05 115.29 124.88 1ndf s HIS 207 Ca 0.02 -0.28 -0.04 0.00 -1.54 0.00 0.00 55.06 53.22 1ndf s HIS 207 Cb -0.15 -0.86 0.00 0.00 0.04 0.00 0.00 32.58 31.62 1ndf s HIS 207 CO -0.11 -0.34 1.06 0.09 -2.34 0.00 0.00 174.74 173.10 1ndf n ASN 208 N 4.97 -3.91 0.00 9.88 3.02 -1.26 -1.98 115.26 125.97 1ndf n ASN 208 Ca -0.10 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 1ndf n ASN 208 Cb 0.50 -5.01 0.00 0.00 -0.61 0.00 0.00 39.78 34.67 1ndf n ASN 208 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1ndf n TYR 209 N -4.47 0.00 -4.09 3.10 0.53 -1.26 -4.76 117.16 106.21 1ndf n TYR 209 Ca -0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.90 56.38 1ndf n TYR 209 Cb 0.62 -1.03 -0.10 0.00 -1.03 0.00 0.00 39.34 37.79 1ndf n TYR 209 CO 0.00 0.00 0.00 -0.65 -1.02 0.00 0.00 176.86 175.19 1ndf s GLN 210 N -0.81 3.91 0.13 -0.72 -0.21 -0.84 -4.77 119.66 116.34 1ndf s GLN 210 Ca 0.00 -0.38 -0.09 0.00 0.02 0.00 0.00 55.36 54.90 1ndf s GLN 210 Cb 0.00 -3.15 -0.06 0.00 1.00 0.00 0.00 33.01 30.80 1ndf s GLN 210 CO 0.00 0.27 0.44 -0.06 -2.12 0.00 0.00 175.29 173.82 1ndf s PHE 211 N 0.37 3.54 0.04 0.91 0.40 -1.26 -1.34 117.98 120.63 1ndf s PHE 211 Ca 0.01 0.80 0.02 0.00 -0.60 0.00 0.00 56.93 57.17 1ndf s PHE 211 Cb -0.13 -2.18 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 1ndf s PHE 211 CO 0.01 0.44 -0.08 -0.06 0.70 0.00 0.00 175.22 176.23 1ndf s PHE 212 N -1.53 0.67 -0.37 0.36 0.40 0.16 -1.14 117.98 116.53 1ndf s PHE 212 Ca 0.38 -0.43 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 1ndf s PHE 212 Cb -0.13 -0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.01 1ndf s PHE 212 CO 0.20 -0.06 0.23 -2.00 0.70 0.00 0.00 175.22 174.29 1ndf s GLU 213 N -1.34 3.05 -0.24 0.44 2.12 0.16 -1.56 118.70 121.34 1ndf s GLU 213 Ca -0.07 -0.94 -0.00 0.00 0.36 0.00 0.00 54.97 54.32 1ndf s GLU 213 Cb -0.09 -3.80 0.03 0.00 0.26 0.00 0.00 34.13 30.54 1ndf s GLU 213 CO 0.00 -0.63 -0.10 -1.17 -0.54 0.00 0.00 175.26 172.82 1ndf s LEU 214 N 1.63 3.03 0.23 2.70 2.96 -0.11 -2.10 118.68 127.03 1ndf s LEU 214 Ca 0.04 -0.94 -0.30 0.00 -0.22 0.00 0.00 54.13 52.71 1ndf s LEU 214 Cb -0.19 -1.60 -0.09 0.00 0.50 0.00 0.00 46.19 44.82 1ndf s LEU 214 CO 0.08 -0.12 0.99 -1.81 -1.32 0.00 0.00 176.35 174.18 1ndf s ASP 215 N 1.27 7.52 -0.16 3.68 1.01 -1.26 0.03 116.67 128.75 1ndf s ASP 215 Ca -0.01 2.01 0.16 0.00 0.71 0.00 0.00 52.55 55.42 1ndf s ASP 215 Cb -0.17 -2.61 0.34 0.00 1.01 0.00 0.00 42.92 41.50 1ndf s ASP 215 CO -0.06 0.04 1.18 1.33 0.21 0.00 0.00 175.17 177.86 1ndf n VAL 216 N 1.65 2.02 -3.91 -1.27 0.24 0.31 -4.93 118.33 112.45 1ndf n VAL 216 Ca -0.01 -2.66 -0.11 0.00 -2.04 0.00 0.00 64.34 59.52 1ndf n VAL 216 Cb 0.47 -0.24 -0.12 0.00 -1.47 0.00 0.00 33.84 32.48 1ndf n VAL 216 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1ndf s TYR 217 N -3.03 0.09 0.40 6.34 2.02 -1.25 -1.40 117.35 120.53 1ndf s TYR 217 Ca 0.35 -0.18 -0.05 0.00 -0.37 0.00 0.00 57.07 56.82 1ndf s TYR 217 Cb 0.32 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.76 1ndf s TYR 217 CO -0.01 -0.13 0.69 -1.01 -1.57 0.00 0.00 175.55 173.52 1ndf s HIS 218 N -0.78 3.52 0.49 2.71 3.76 0.20 -4.89 115.29 120.30 1ndf s HIS 218 Ca -0.09 0.73 0.23 0.00 -0.15 0.00 0.00 55.06 55.79 1ndf s HIS 218 Cb -0.05 -2.21 1.28 0.00 1.11 0.00 0.00 32.58 32.72 1ndf s HIS 218 CO -0.00 -0.08 1.93 0.77 -0.85 0.00 0.00 174.74 176.51 1ndf h SER 219 N 0.81 0.16 0.74 1.40 0.02 -2.02 0.41 113.55 115.07 1ndf h SER 219 Ca -0.48 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1ndf h SER 219 Cb 1.20 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 1ndf h SER 219 CO 0.63 0.07 -0.06 -2.24 -1.14 0.00 0.00 176.83 174.10 1ndf h ASP 220 N 0.16 0.00 0.00 3.07 3.04 -2.05 -3.46 116.42 117.19 1ndf h ASP 220 Ca 0.36 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.15 1ndf h ASP 220 Cb 1.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 1ndf h ASP 220 CO -0.06 0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.81 1ndf n GLY 221 N -0.23 1.50 3.75 7.15 0.00 0.14 -5.09 105.19 112.42 1ndf n GLY 221 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ndf n GLY 221 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ndf s THR 222 N -1.73 2.96 0.62 2.61 -4.23 -1.26 -4.61 115.64 110.01 1ndf s THR 222 Ca 0.00 0.88 -0.14 0.00 -1.18 0.00 0.00 61.69 61.25 1ndf s THR 222 Cb 0.00 -3.56 -0.02 0.00 1.34 0.00 0.00 72.50 70.26 1ndf s THR 222 CO 0.00 0.17 1.06 -2.16 -0.54 0.00 0.00 174.62 173.15 1ndf s PRO 223 N -0.99 3.20 0.97 3.99 0.04 -1.26 -0.63 135.00 140.32 1ndf s PRO 223 Ca 0.52 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 1ndf s PRO 223 Cb -0.38 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.31 1ndf s PRO 223 CO 0.45 -0.90 1.08 -0.51 0.04 0.00 0.00 177.00 177.17 1ndf s LEU 224 N -4.80 1.89 0.26 -3.56 1.02 -0.49 -4.82 118.68 108.18 1ndf s LEU 224 Ca 0.62 1.48 0.06 0.00 0.02 0.00 0.00 54.13 56.31 1ndf s LEU 224 Cb -0.15 -3.75 -0.03 0.00 0.02 0.00 0.00 46.19 42.27 1ndf s LEU 224 CO 0.42 -3.08 0.30 0.42 0.02 0.00 0.00 176.35 174.43 1ndf s THR 225 N -2.83 4.78 0.46 5.49 -4.23 -1.26 -4.91 115.64 113.14 1ndf s THR 225 Ca 0.65 -1.17 0.24 0.00 -1.18 0.00 0.00 61.69 60.23 1ndf s THR 225 Cb -0.20 -3.62 0.43 0.00 1.34 0.00 0.00 72.50 70.46 1ndf s THR 225 CO 0.59 -0.32 1.83 0.77 -0.54 0.00 0.00 174.62 176.95 1ndf h SER 226 N 1.27 0.26 0.50 3.99 4.64 -1.97 0.26 113.55 122.51 1ndf h SER 226 Ca -0.50 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 60.84 1ndf h SER 226 Cb 1.24 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ndf h SER 226 CO 0.60 0.08 -0.24 0.44 -0.87 0.00 0.00 176.83 176.84 1ndf h ASP 227 N 0.25 -0.56 -0.89 4.97 3.45 -1.93 0.81 116.42 122.51 1ndf h ASP 227 Ca 0.51 -0.07 0.05 0.00 0.43 0.00 0.00 57.03 57.95 1ndf h ASP 227 Cb 1.56 0.15 -0.06 0.00 -0.56 0.00 0.00 39.33 40.42 1ndf h ASP 227 CO -0.15 -0.20 0.56 1.56 -1.57 0.00 0.00 179.24 179.45 1ndf h GLN 228 N -0.99 1.02 -0.78 3.56 4.20 -1.66 -0.43 115.11 120.03 1ndf h GLN 228 Ca -0.07 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1ndf h GLN 228 Cb 0.60 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1ndf h GLN 228 CO 0.11 0.68 0.29 0.82 -0.67 0.00 0.00 178.83 180.06 1ndf h ILE 229 N 1.05 1.26 -0.77 2.54 2.04 -0.51 -1.10 117.51 122.03 1ndf h ILE 229 Ca 0.37 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1ndf h ILE 229 Cb 0.10 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1ndf h ILE 229 CO -0.15 0.35 0.40 0.15 0.00 0.00 0.00 178.15 178.89 1ndf h PHE 230 N 1.15 1.08 -0.79 1.37 3.57 0.41 0.30 116.94 124.03 1ndf h PHE 230 Ca 0.26 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1ndf h PHE 230 Cb 0.25 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1ndf h PHE 230 CO 0.02 0.77 0.52 0.28 -2.23 0.00 0.00 178.31 177.68 1ndf h VAL 231 N 1.07 1.19 -0.13 1.41 2.07 -0.47 0.50 116.25 121.90 1ndf h VAL 231 Ca 0.27 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 1ndf h VAL 231 Cb 0.07 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1ndf h VAL 231 CO -0.04 0.19 -0.24 1.56 0.02 0.00 0.00 177.57 179.07 1ndf h GLN 232 N 1.06 0.39 0.00 1.57 1.08 -0.25 -2.58 115.11 116.38 1ndf h GLN 232 Ca 0.29 -0.25 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1ndf h GLN 232 Cb -0.10 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1ndf h GLN 232 CO -0.07 0.84 -0.12 -0.07 -0.95 0.00 0.00 178.83 178.47 1ndf h LEU 233 N -0.03 0.00 0.27 1.46 3.38 0.14 -1.35 115.31 119.18 1ndf h LEU 233 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ndf h LEU 233 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ndf h LEU 233 CO 0.05 0.12 -0.13 -0.08 0.09 0.00 0.00 178.44 178.49 1ndf h GLU 234 N 0.00 -0.34 -0.92 1.13 4.57 0.19 -1.56 114.58 117.65 1ndf h GLU 234 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1ndf h GLU 234 Cb 0.24 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 1ndf h GLU 234 CO 0.02 -0.10 0.58 0.87 -1.18 0.00 0.00 179.01 179.19 1ndf h LYS 235 N -0.54 1.23 -0.22 1.92 1.57 -1.02 -2.01 116.57 117.51 1ndf h LYS 235 Ca -0.04 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ndf h LYS 235 Cb 0.40 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1ndf h LYS 235 CO 0.06 0.84 0.14 0.82 -0.57 0.00 0.00 179.45 180.74 1ndf h ILE 236 N 1.26 1.08 -0.88 1.86 2.04 -1.11 -1.12 117.51 120.64 1ndf h ILE 236 Ca 0.33 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.99 1ndf h ILE 236 Cb -0.09 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 1ndf h ILE 236 CO -0.07 0.08 0.48 -0.25 0.00 0.00 0.00 178.15 178.39 1ndf h TRP 237 N 0.28 1.22 0.00 1.37 2.91 -1.00 -1.70 115.95 119.02 1ndf h TRP 237 Ca 0.08 -0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 1ndf h TRP 237 Cb 0.00 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 28.27 1ndf h TRP 237 CO -0.05 0.84 -0.02 -0.91 -1.03 0.00 0.00 178.44 177.28 1ndf h ASN 238 N 1.24 0.00 -0.65 2.65 2.35 -1.02 -2.40 115.58 117.75 1ndf h ASN 238 Ca 0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.06 1ndf h ASN 238 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1ndf h ASN 238 CO -0.05 0.02 0.00 -1.20 -1.65 0.00 0.00 177.43 174.55 1ndf n SER 239 N -3.12 4.36 -2.11 5.81 7.64 -0.45 -4.22 113.62 121.52 1ndf n SER 239 Ca 0.00 -2.31 -0.02 0.00 1.01 0.00 0.00 58.87 57.55 1ndf n SER 239 Cb 0.29 -0.54 0.05 0.00 -1.01 0.00 0.00 64.21 63.00 1ndf n SER 239 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ndf n SER 240 N 1.21 -0.51 0.13 6.43 3.41 -0.94 -4.95 113.62 118.40 1ndf n SER 240 Ca 0.24 -2.10 0.11 0.00 -0.26 0.00 0.00 58.87 56.86 1ndf n SER 240 Cb 0.79 0.26 0.50 0.00 -0.26 0.00 0.00 64.21 65.50 1ndf n SER 240 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ndf n LEU 241 N -0.72 0.55 -4.40 1.04 4.77 -0.99 -4.73 117.00 112.52 1ndf n LEU 241 Ca -0.13 0.70 -0.25 0.00 -0.03 0.00 0.00 56.01 56.29 1ndf n LEU 241 Cb 0.85 -0.69 -0.12 0.00 -2.33 0.00 0.00 43.42 41.13 1ndf n LEU 241 CO -0.10 -0.73 -0.52 -1.58 -1.33 0.00 0.00 177.39 173.13 1ndf s GLN 242 N -3.40 1.45 -0.55 3.23 0.74 -1.26 -5.10 119.66 114.78 1ndf s GLN 242 Ca 0.01 -1.50 0.04 0.00 0.05 0.00 0.00 55.36 53.96 1ndf s GLN 242 Cb 0.07 -1.70 0.15 0.00 1.10 0.00 0.00 33.01 32.64 1ndf s GLN 242 CO 0.27 0.36 0.35 0.45 -0.55 0.00 0.00 175.29 176.17 1ndf s SER 243 N -2.69 3.87 -0.03 6.67 0.15 -1.26 -4.84 113.70 115.56 1ndf s SER 243 Ca 0.20 -3.23 0.07 0.00 0.70 0.00 0.00 55.95 53.69 1ndf s SER 243 Cb -0.07 -1.28 0.11 0.00 -1.71 0.00 0.00 66.02 63.07 1ndf s SER 243 CO 0.09 -0.18 1.05 -0.46 1.20 0.00 0.00 173.24 174.95 1ndf n ASN 244 N 2.77 0.64 -4.94 5.45 6.94 -1.26 -5.08 115.26 119.77 1ndf n ASN 244 Ca 0.15 -2.28 -0.26 0.00 -0.02 0.00 0.00 54.58 52.17 1ndf n ASN 244 Cb 0.36 -0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 37.49 1ndf n ASN 244 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1ndf s LYS 245 N -0.70 3.46 0.25 -3.83 -0.14 -1.26 -5.07 119.74 112.45 1ndf s LYS 245 Ca 0.11 -0.56 -0.30 0.00 -1.36 0.00 0.00 55.97 53.86 1ndf s LYS 245 Cb 0.11 -2.92 -0.09 0.00 -1.68 0.00 0.00 37.83 33.24 1ndf s LYS 245 CO -0.01 0.48 1.30 -1.21 -0.76 0.00 0.00 175.35 175.14 1ndf s GLU 246 N -3.37 4.40 -1.25 1.68 0.41 -1.26 -4.90 118.70 114.40 1ndf s GLU 246 Ca 0.35 2.10 -0.17 0.00 -0.41 0.00 0.00 54.97 56.84 1ndf s GLU 246 Cb -0.11 -3.15 -0.01 0.00 -1.78 0.00 0.00 34.13 29.08 1ndf s GLU 246 CO 0.29 -0.19 2.08 -0.35 -0.49 0.00 0.00 175.26 176.60 1ndf n PRO 247 N 1.86 2.48 -0.28 0.39 -0.04 -1.26 -4.73 135.00 133.41 1ndf n PRO 247 Ca 0.03 -2.47 0.12 0.00 -0.04 0.00 0.00 63.50 61.14 1ndf n PRO 247 Cb 0.42 -3.24 0.36 0.00 -0.04 0.00 0.00 33.50 31.01 1ndf n PRO 247 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ndf h VAL 248 N 4.40 0.84 -0.16 0.52 2.07 -1.86 -1.68 116.25 120.38 1ndf h VAL 248 Ca 0.50 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1ndf h VAL 248 Cb 0.69 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1ndf h VAL 248 CO 1.83 0.13 0.18 1.23 0.02 0.00 0.00 177.57 180.96 1ndf h GLY 249 N 0.72 0.00 2.00 2.17 0.00 -1.74 -1.12 103.07 105.10 1ndf h GLY 249 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1ndf h GLY 249 CO -0.22 0.00 0.00 4.51 0.00 0.00 0.00 176.54 180.83 1ndf n ILE 250 N -3.79 1.10 0.21 2.60 3.06 -0.63 -1.97 119.36 119.94 1ndf n ILE 250 Ca 0.01 0.37 0.05 0.00 -2.50 0.00 0.00 62.75 60.68 1ndf n ILE 250 Cb 0.30 -1.27 0.44 0.00 0.54 0.00 0.00 39.64 39.65 1ndf n ILE 250 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1ndf h LEU 251 N 0.00 0.00 0.00 9.51 3.38 -1.38 -2.46 115.31 124.36 1ndf h LEU 251 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ndf h LEU 251 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ndf h LEU 251 CO 0.00 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.16 1ndf n THR 252 N -4.10 0.41 0.67 0.22 -2.24 -0.83 -2.80 114.28 105.61 1ndf n THR 252 Ca -0.02 0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1ndf n THR 252 Cb 0.34 -0.81 0.16 0.00 -2.10 0.00 0.00 70.33 67.92 1ndf n THR 252 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ndf n SER 253 N -1.25 3.22 -4.80 3.42 3.41 -0.92 -4.63 113.62 112.06 1ndf n SER 253 Ca 0.09 -1.99 -0.24 0.00 -0.26 0.00 0.00 58.87 56.47 1ndf n SER 253 Cb 0.13 -0.12 0.08 0.00 -0.26 0.00 0.00 64.21 64.04 1ndf n SER 253 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1ndf s ASN 254 N -1.75 4.69 0.50 4.04 3.84 -1.12 -4.68 114.94 120.46 1ndf s ASN 254 Ca 0.33 0.02 -0.21 0.00 0.21 0.00 0.00 52.86 53.22 1ndf s ASN 254 Cb 0.21 -0.61 -0.09 0.00 -0.55 0.00 0.00 41.25 40.21 1ndf s ASN 254 CO 0.31 -1.62 0.72 1.57 -2.79 0.00 0.00 177.10 175.28 1ndf n HIS 255 N -2.77 0.04 0.17 0.43 -0.00 -1.26 -4.27 115.22 107.57 1ndf n HIS 255 Ca 0.11 0.51 0.02 0.00 -0.00 0.00 0.00 57.72 58.35 1ndf n HIS 255 Cb 0.60 -2.06 0.33 0.00 -0.00 0.00 0.00 29.99 28.87 1ndf n HIS 255 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ndf h ARG 256 N 0.72 0.03 -0.58 1.57 2.47 -1.14 0.56 114.38 118.01 1ndf h ARG 256 Ca -0.45 -0.01 -0.10 0.00 -1.26 0.00 0.00 59.98 58.16 1ndf h ARG 256 Cb 1.38 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.68 1ndf h ARG 256 CO 0.51 0.41 -0.03 -0.91 0.56 0.00 0.00 179.97 180.52 1ndf h ASN 257 N 0.02 1.03 0.03 7.04 2.35 -1.90 -0.68 115.58 123.48 1ndf h ASN 257 Ca -0.00 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1ndf h ASN 257 Cb 0.70 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1ndf h ASN 257 CO 0.05 1.10 -0.02 0.74 -1.65 0.00 0.00 177.43 177.65 1ndf h THR 258 N 0.94 1.32 -0.22 2.81 2.02 -1.81 -3.07 112.91 114.89 1ndf h THR 258 Ca 0.16 -1.17 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1ndf h THR 258 Cb 0.59 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1ndf h THR 258 CO 0.04 0.29 0.10 -0.25 0.37 0.00 0.00 175.52 176.07 1ndf h TRP 259 N -0.57 0.29 -0.36 3.16 -0.00 -0.90 -1.22 115.95 116.36 1ndf h TRP 259 Ca -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 58.89 58.88 1ndf h TRP 259 Cb 0.52 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.57 1ndf h TRP 259 CO 0.10 0.22 0.22 0.00 -0.00 0.00 0.00 178.44 178.98 1ndf h ALA 260 N 1.81 0.46 -0.18 2.65 0.00 -1.09 0.30 119.26 123.22 1ndf h ALA 260 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ndf h ALA 260 Cb 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ndf h ALA 260 CO -0.01 -0.05 -0.12 -0.22 0.00 0.00 0.00 179.25 178.85 1ndf h LYS 261 N 0.47 0.40 -0.74 0.00 3.64 -1.31 -2.26 116.57 116.76 1ndf h LYS 261 Ca 0.13 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1ndf h LYS 261 Cb 0.00 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 1ndf h LYS 261 CO -0.02 0.73 0.32 0.00 -2.27 0.00 0.00 179.45 178.20 1ndf h ALA 262 N 0.66 0.95 0.43 5.00 0.00 -1.11 -2.54 119.26 122.66 1ndf h ALA 262 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1ndf h ALA 262 Cb 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ndf h ALA 262 CO 0.03 0.56 -0.21 -0.92 0.00 0.00 0.00 179.25 178.71 1ndf h TYR 263 N 1.05 -0.54 -1.00 0.00 3.20 -0.40 0.19 116.97 119.46 1ndf h TYR 263 Ca 0.25 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.32 1ndf h TYR 263 Cb 0.18 0.18 -0.11 0.00 1.54 0.00 0.00 36.73 38.51 1ndf h TYR 263 CO 0.01 -0.33 0.61 -0.97 -1.64 0.00 0.00 178.16 175.85 1ndf h ASN 264 N -0.60 0.70 -0.00 -2.11 -0.73 -1.28 -1.46 115.58 110.10 1ndf h ASN 264 Ca -0.06 0.11 -0.01 0.00 1.87 0.00 0.00 56.30 58.21 1ndf h ASN 264 Cb 0.46 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.04 1ndf h ASN 264 CO 0.10 0.19 -0.02 -1.13 -0.37 0.00 0.00 177.43 176.19 1ndf h ASN 265 N 0.65 0.02 -1.06 1.15 -1.24 -1.10 -3.29 115.58 110.71 1ndf h ASN 265 Ca 0.60 -0.73 0.28 0.00 0.71 0.00 0.00 56.30 57.17 1ndf h ASN 265 Cb 1.09 -0.01 -0.09 0.00 0.73 0.00 0.00 38.32 40.05 1ndf h ASN 265 CO -0.40 0.75 0.70 0.25 -1.29 0.00 0.00 177.43 177.43 1ndf h LEU 266 N -0.70 0.36 -1.07 0.34 5.85 0.34 0.07 115.31 120.51 1ndf h LEU 266 Ca -0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ndf h LEU 266 Cb 0.75 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1ndf h LEU 266 CO 0.00 0.06 0.00 2.30 -0.34 0.00 0.00 178.44 180.47 1ndf n ILE 267 N -4.56 0.38 0.04 4.05 -5.35 -0.66 -4.00 119.36 109.26 1ndf n ILE 267 Ca 0.26 -0.39 -0.05 0.00 -0.27 0.00 0.00 62.75 62.30 1ndf n ILE 267 Cb 0.95 0.20 0.14 0.00 -1.74 0.00 0.00 39.64 39.19 1ndf n ILE 267 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 1ndf h LYS 268 N 1.74 0.40 -6.26 6.28 1.57 -1.08 -3.39 116.57 115.82 1ndf h LYS 268 Ca 0.00 -0.22 -0.56 0.00 -1.87 0.00 0.00 60.65 58.00 1ndf h LYS 268 Cb 0.40 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 1ndf h LYS 268 CO 0.00 0.78 0.61 0.34 -0.57 0.00 0.00 179.45 180.62 1ndf s ASP 269 N -6.88 7.19 0.63 0.86 2.15 -1.26 -4.92 116.67 114.45 1ndf s ASP 269 Ca -0.06 1.59 0.36 0.00 0.43 0.00 0.00 52.55 54.87 1ndf s ASP 269 Cb 0.12 -2.56 2.03 0.00 -0.30 0.00 0.00 42.92 42.22 1ndf s ASP 269 CO 0.80 -0.49 2.24 0.07 -0.17 0.00 0.00 175.17 177.62 1ndf h LYS 270 N 7.21 0.00 -0.00 4.34 2.10 -1.94 0.41 116.57 128.69 1ndf h LYS 270 Ca -0.31 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.29 1ndf h LYS 270 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1ndf h LYS 270 CO 0.87 0.00 -0.19 0.28 -2.00 0.00 0.00 179.45 178.41 1ndf h VAL 271 N 0.00 1.57 -0.05 0.07 2.07 -1.94 -1.93 116.25 116.04 1ndf h VAL 271 Ca 0.02 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1ndf h VAL 271 Cb 0.17 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1ndf h VAL 271 CO -0.00 0.52 0.02 0.78 0.02 0.00 0.00 177.57 178.91 1ndf h ASN 272 N -0.57 0.03 -0.75 0.57 2.35 -1.52 -1.09 115.58 114.59 1ndf h ASN 272 Ca -0.02 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 55.83 1ndf h ASN 272 Cb 0.95 -0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.27 1ndf h ASN 272 CO 0.04 0.03 0.49 -0.09 -1.65 0.00 0.00 177.43 176.25 1ndf h ARG 273 N 0.05 0.64 -0.41 0.81 2.43 -1.04 0.28 114.38 117.13 1ndf h ARG 273 Ca 0.02 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1ndf h ARG 273 Cb 0.01 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1ndf h ARG 273 CO -0.02 0.42 -0.04 1.49 -1.51 0.00 0.00 179.97 180.31 1ndf h GLU 274 N 0.65 0.76 0.04 0.20 4.81 -0.52 -0.75 114.58 119.76 1ndf h GLU 274 Ca 0.35 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1ndf h GLU 274 Cb 0.48 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1ndf h GLU 274 CO -0.13 0.86 -0.02 0.77 -0.73 0.00 0.00 179.01 179.76 1ndf h SER 275 N 0.58 -0.04 -0.76 1.04 0.02 0.05 -1.79 113.55 112.65 1ndf h SER 275 Ca 0.11 -0.42 0.11 0.00 -0.84 0.00 0.00 61.79 60.75 1ndf h SER 275 Cb 0.54 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.01 1ndf h SER 275 CO 0.03 0.40 0.39 0.58 -1.14 0.00 0.00 176.83 177.09 1ndf h VAL 276 N -0.50 0.82 -0.53 2.27 2.07 -0.53 0.07 116.25 119.92 1ndf h VAL 276 Ca -0.00 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1ndf h VAL 276 Cb 0.46 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1ndf h VAL 276 CO 0.01 0.11 0.16 -1.13 0.02 0.00 0.00 177.57 176.74 1ndf h ASN 277 N 0.63 0.73 -0.45 0.57 -0.00 -1.05 -0.49 115.58 115.53 1ndf h ASN 277 Ca 0.38 -0.12 -0.08 0.00 -0.00 0.00 0.00 56.30 56.49 1ndf h ASN 277 Cb 0.44 -0.19 -0.02 0.00 -0.00 0.00 0.00 38.32 38.55 1ndf h ASN 277 CO -0.29 0.70 -0.04 -1.28 -0.00 0.00 0.00 177.43 176.52 1ndf h SER 278 N 0.77 0.81 0.00 1.15 0.87 -0.14 -1.90 113.55 115.11 1ndf h SER 278 Ca 0.18 -0.33 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1ndf h SER 278 Cb 0.24 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1ndf h SER 278 CO -0.01 0.95 -0.00 0.40 -0.53 0.00 0.00 176.83 177.64 1ndf h ILE 279 N 0.65 1.04 -0.26 2.23 2.04 -0.64 -0.71 117.51 121.87 1ndf h ILE 279 Ca 0.12 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1ndf h ILE 279 Cb 0.56 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1ndf h ILE 279 CO 0.03 0.04 0.07 1.56 0.00 0.00 0.00 178.15 179.85 1ndf h GLN 280 N -0.06 0.36 0.00 2.37 4.20 -1.03 -2.88 115.11 118.08 1ndf h GLN 280 Ca -0.00 -0.05 -0.18 0.00 0.06 0.00 0.00 58.65 58.49 1ndf h GLN 280 Cb 0.06 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1ndf h GLN 280 CO 0.00 0.33 -1.00 0.87 -0.67 0.00 0.00 178.83 178.36 1ndf h LYS 281 N 0.36 0.00 -6.32 1.46 1.57 -1.10 -3.38 116.57 109.16 1ndf h LYS 281 Ca 0.09 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.26 1ndf h LYS 281 Cb 0.13 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.58 1ndf h LYS 281 CO -0.01 0.63 -0.42 -1.13 -0.57 0.00 0.00 179.45 177.96 1ndf n SER 282 N -3.18 -0.96 -0.17 0.86 3.41 -0.29 -4.64 113.62 108.65 1ndf n SER 282 Ca -0.03 0.90 0.05 0.00 -0.26 0.00 0.00 58.87 59.53 1ndf n SER 282 Cb 0.87 -1.11 0.34 0.00 -0.26 0.00 0.00 64.21 64.05 1ndf n SER 282 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1ndf h ILE 283 N 0.77 1.06 -1.28 -1.33 2.04 -1.26 -3.29 117.51 114.20 1ndf h ILE 283 Ca -0.40 -0.27 0.33 0.00 1.00 0.00 0.00 64.86 65.52 1ndf h ILE 283 Cb 1.40 0.21 -0.15 0.00 -0.74 0.00 0.00 36.82 37.54 1ndf h ILE 283 CO 0.51 0.14 0.89 0.72 0.00 0.00 0.00 178.15 180.41 1ndf s PHE 284 N -5.68 -0.05 -0.12 1.37 -0.12 -1.26 -1.08 117.98 111.04 1ndf s PHE 284 Ca -0.10 -0.01 -0.01 0.00 -0.05 0.00 0.00 56.93 56.76 1ndf s PHE 284 Cb 0.19 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 43.08 1ndf s PHE 284 CO 0.77 -0.16 -0.07 0.99 -0.05 0.00 0.00 175.22 176.70 1ndf s THR 285 N -2.26 3.63 -0.21 -4.49 2.01 -0.76 -1.86 115.64 111.70 1ndf s THR 285 Ca 0.13 -0.47 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 1ndf s THR 285 Cb 0.03 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.99 1ndf s THR 285 CO -0.04 0.53 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.72 1ndf s VAL 286 N -0.02 3.71 -0.39 3.82 1.01 -0.01 -0.35 120.40 128.18 1ndf s VAL 286 Ca -0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1ndf s VAL 286 Cb -0.14 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.59 1ndf s VAL 286 CO 0.03 0.42 0.23 0.00 0.00 0.00 0.00 175.10 175.78 1ndf s LEU 288 N 1.54 4.79 0.61 0.00 1.43 -0.21 -1.48 118.68 125.36 1ndf s LEU 288 Ca 0.02 -1.77 -0.17 0.00 -1.03 0.00 0.00 54.13 51.19 1ndf s LEU 288 Cb -0.20 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 1ndf s LEU 288 CO 0.06 -1.18 1.12 -1.81 0.23 0.00 0.00 176.35 174.78 1ndf s ASP 289 N 3.75 5.34 0.26 2.29 1.11 -1.05 -4.36 116.67 124.02 1ndf s ASP 289 Ca 0.31 2.10 -0.10 0.00 0.18 0.00 0.00 52.55 55.04 1ndf s ASP 289 Cb -0.07 -2.57 -0.07 0.00 1.07 0.00 0.00 42.92 41.28 1ndf s ASP 289 CO -0.05 -1.47 0.60 -1.59 1.18 0.00 0.00 175.17 173.83 1ndf s LYS 290 N -3.72 3.83 0.49 8.23 -2.85 -1.26 -3.86 119.74 120.60 1ndf s LYS 290 Ca 0.70 0.35 -0.21 0.00 -1.00 0.00 0.00 55.97 55.80 1ndf s LYS 290 Cb -0.23 -2.59 -0.09 0.00 -2.06 0.00 0.00 37.83 32.86 1ndf s LYS 290 CO 0.35 0.26 0.82 0.94 0.10 0.00 0.00 175.35 177.82 1ndf n GLN 291 N -0.28 0.93 -4.25 1.78 7.27 -1.26 -4.66 117.38 116.92 1ndf n GLN 291 Ca 0.01 0.35 -0.14 0.00 0.07 0.00 0.00 57.00 57.29 1ndf n GLN 291 Cb 0.53 -1.90 -0.10 0.00 2.41 0.00 0.00 30.24 31.17 1ndf n GLN 291 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 1ndf s VAL 292 N -1.46 0.92 0.22 1.69 -7.23 -1.26 -5.07 120.40 108.21 1ndf s VAL 292 Ca 0.67 -2.01 -0.32 0.00 -1.81 0.00 0.00 61.98 58.51 1ndf s VAL 292 Cb -0.51 -1.99 -0.13 0.00 0.56 0.00 0.00 36.38 34.31 1ndf s VAL 292 CO 0.54 -0.61 1.49 -2.65 -0.31 0.00 0.00 175.10 173.56 1ndf n PRO 293 N -0.22 2.15 -2.40 4.82 -0.02 -1.26 -4.94 135.00 133.13 1ndf n PRO 293 Ca -0.09 0.77 -0.40 0.00 -2.02 0.00 0.00 63.50 61.76 1ndf n PRO 293 Cb 0.62 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.58 1ndf n PRO 293 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ndf s ARG 294 N 0.07 4.57 0.44 -0.52 3.52 -1.26 -5.04 118.95 120.74 1ndf s ARG 294 Ca 0.72 1.89 0.05 0.00 -0.13 0.00 0.00 55.73 58.26 1ndf s ARG 294 Cb -0.64 -3.17 -0.06 0.00 -1.56 0.00 0.00 34.95 29.52 1ndf s ARG 294 CO 0.45 0.12 0.02 0.14 -0.81 0.00 0.00 175.30 175.21 1ndf s VAL 295 N -1.11 1.77 0.28 7.11 -7.23 -1.26 -5.11 120.40 114.86 1ndf s VAL 295 Ca 0.46 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 1ndf s VAL 295 Cb -0.34 -2.76 -0.10 0.00 0.56 0.00 0.00 36.38 33.74 1ndf s VAL 295 CO 0.43 0.00 1.38 -0.94 -0.31 0.00 0.00 175.10 175.67 1ndf s SER 296 N -3.77 6.71 0.50 4.85 1.04 -1.26 -4.83 113.70 116.94 1ndf s SER 296 Ca 0.27 2.66 0.28 0.00 0.48 0.00 0.00 55.95 59.64 1ndf s SER 296 Cb 0.07 -2.63 1.36 0.00 0.10 0.00 0.00 66.02 64.92 1ndf s SER 296 CO 0.14 -0.63 1.86 0.44 0.98 0.00 0.00 173.24 176.03 1ndf h ASP 297 N 4.43 0.14 0.69 7.02 3.32 -1.99 -0.47 116.42 129.56 1ndf h ASP 297 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1ndf h ASP 297 Cb 1.22 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1ndf h ASP 297 CO 0.73 0.04 0.00 -0.90 -1.72 0.00 0.00 179.24 177.39 1ndf n ASP 298 N -4.35 0.25 0.00 6.45 5.75 -1.26 -2.81 116.55 120.58 1ndf n ASP 298 Ca 0.20 0.55 0.00 0.00 -0.01 0.00 0.00 54.79 55.53 1ndf n ASP 298 Cb 0.92 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1ndf n ASP 298 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1ndf n VAL 299 N -1.77 0.38 -0.01 2.12 0.24 -0.26 -4.83 118.33 114.20 1ndf n VAL 299 Ca 0.04 -0.54 -0.09 0.00 -2.04 0.00 0.00 64.34 61.70 1ndf n VAL 299 Cb 0.23 0.95 -0.04 0.00 -1.47 0.00 0.00 33.84 33.50 1ndf n VAL 299 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1ndf h TYR 300 N 0.00 -0.11 -0.75 6.34 3.20 -1.18 -2.14 116.97 122.33 1ndf h TYR 300 Ca 0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1ndf h TYR 300 Cb 0.42 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 1ndf h TYR 300 CO 0.00 -0.08 0.32 0.00 -1.64 0.00 0.00 178.16 176.77 1ndf h ARG 301 N -0.02 1.10 -0.99 1.82 3.08 -1.88 -0.23 114.38 117.26 1ndf h ARG 301 Ca 0.07 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1ndf h ARG 301 Cb 0.13 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 1ndf h ARG 301 CO -0.15 0.88 0.65 -0.91 -1.07 0.00 0.00 179.97 179.37 1ndf h ASN 302 N 1.08 1.13 -0.18 7.04 2.35 -1.83 -0.43 115.58 124.74 1ndf h ASN 302 Ca 0.26 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.92 1ndf h ASN 302 Cb 0.17 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1ndf h ASN 302 CO -0.03 0.81 -0.11 0.45 -1.65 0.00 0.00 177.43 176.90 1ndf h HIS 303 N 1.33 0.46 -0.10 1.19 3.86 -0.74 -2.14 115.15 119.01 1ndf h HIS 303 Ca 0.36 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1ndf h HIS 303 Cb -0.14 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.22 1ndf h HIS 303 CO -0.00 0.72 0.06 0.28 0.86 0.00 0.00 177.93 179.85 1ndf h VAL 304 N 0.07 1.02 -0.41 2.45 2.07 -0.72 -0.42 116.25 120.33 1ndf h VAL 304 Ca 0.04 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1ndf h VAL 304 Cb 0.61 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1ndf h VAL 304 CO 0.03 0.02 -0.19 0.00 0.02 0.00 0.00 177.57 177.45 1ndf h ALA 305 N 1.94 0.57 -0.66 1.67 0.00 -0.87 -2.08 119.26 119.83 1ndf h ALA 305 Ca 0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1ndf h ALA 305 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ndf h ALA 305 CO -0.01 0.52 0.36 0.78 0.00 0.00 0.00 179.25 180.90 1ndf h GLY 306 N 0.66 0.99 1.46 0.00 0.00 -0.45 -0.28 103.07 105.44 1ndf h GLY 306 Ca 0.09 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1ndf h GLY 306 CO 0.06 0.43 0.19 -1.61 0.00 0.00 0.00 176.54 175.62 1ndf h GLN 307 N 0.90 0.70 0.10 4.80 4.15 -1.03 0.80 115.11 125.54 1ndf h GLN 307 Ca 0.23 -0.10 -0.26 0.00 0.77 0.00 0.00 58.65 59.29 1ndf h GLN 307 Cb 0.05 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1ndf h GLN 307 CO -0.04 0.58 -1.18 0.52 -1.93 0.00 0.00 178.83 176.78 1ndf h MET 308 N 0.69 0.26 0.13 1.69 2.86 -0.94 -2.74 114.93 116.88 1ndf h MET 308 Ca 0.17 -0.41 -0.16 0.00 -2.06 0.00 0.00 59.70 57.23 1ndf h MET 308 Cb 0.14 0.15 0.02 0.00 0.06 0.00 0.00 31.60 31.97 1ndf h MET 308 CO -0.02 1.18 -0.72 1.25 1.06 0.00 0.00 176.91 179.66 1ndf h LEU 309 N 0.08 0.41 0.00 1.22 5.85 -0.82 -3.39 115.31 118.67 1ndf h LEU 309 Ca -0.11 -0.96 0.00 0.00 0.84 0.00 0.00 57.88 57.65 1ndf h LEU 309 Cb 1.89 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1ndf h LEU 309 CO 0.19 1.35 -0.06 0.00 -0.34 0.00 0.00 178.44 179.58 1ndf n HIS 310 N -4.18 0.00 0.00 1.25 1.44 0.19 -4.40 115.22 109.52 1ndf n HIS 310 Ca -0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.58 1ndf n HIS 310 Cb 0.78 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.89 1ndf n HIS 310 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ndf n GLY 311 N 0.52 3.13 0.16 -1.39 0.00 -0.67 -4.37 105.19 102.57 1ndf n GLY 311 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ndf n GLY 311 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ndf n GLY 312 N -1.31 3.40 0.00 -0.02 0.00 -1.25 -2.39 105.19 103.63 1ndf n GLY 312 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ndf n GLY 312 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ndf n GLY 313 N -1.69 2.87 0.37 -0.02 0.00 -1.26 -4.87 105.19 100.60 1ndf n GLY 313 Ca 0.00 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.21 1ndf n GLY 313 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ndf h SER 314 N 0.00 1.07 -0.49 1.61 4.64 -1.93 -2.42 113.55 116.03 1ndf h SER 314 Ca 0.00 -0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 61.04 1ndf h SER 314 Cb 0.00 -0.26 -0.15 0.00 -0.31 0.00 0.00 62.40 61.68 1ndf h SER 314 CO 0.00 0.76 0.33 2.29 -0.87 0.00 0.00 176.83 179.35 1ndf n LYS 315 N -4.41 1.63 0.00 4.77 2.85 -1.26 -4.63 118.16 117.11 1ndf n LYS 315 Ca 0.12 -1.50 0.00 0.00 -1.05 0.00 0.00 58.31 55.88 1ndf n LYS 315 Cb 0.04 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.84 1ndf n LYS 315 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ndf n PHE 316 N -0.28 0.00 -0.59 5.58 3.01 -0.93 -5.06 117.46 119.19 1ndf n PHE 316 Ca 0.30 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1ndf n PHE 316 Cb 1.05 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.52 1ndf n PHE 316 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1ndf n ASN 317 N 0.00 0.54 0.23 4.37 3.02 -1.01 -4.79 115.26 117.63 1ndf n ASN 317 Ca 0.00 -1.13 0.06 0.00 -0.03 0.00 0.00 54.58 53.48 1ndf n ASN 317 Cb 0.00 0.00 0.53 0.00 -0.61 0.00 0.00 39.78 39.70 1ndf n ASN 317 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1ndf h SER 318 N 0.00 0.00 1.19 6.41 0.02 -1.48 -0.77 113.55 118.92 1ndf h SER 318 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ndf h SER 318 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1ndf h SER 318 CO 0.00 0.15 0.00 0.61 -1.14 0.00 0.00 176.83 176.45 1ndf n GLY 319 N -1.11 -1.58 2.44 -3.77 0.00 -1.26 -3.56 105.19 96.36 1ndf n GLY 319 Ca -0.03 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1ndf n GLY 319 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ndf n ASN 320 N -1.85 6.64 -3.63 1.61 5.15 -0.29 -4.27 115.26 118.62 1ndf n ASN 320 Ca 0.06 -3.28 -0.12 0.00 -0.60 0.00 0.00 54.58 50.65 1ndf n ASN 320 Cb 0.37 -1.18 -0.05 0.00 -0.53 0.00 0.00 39.78 38.40 1ndf n ASN 320 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1ndf s ARG 321 N -2.07 1.71 -0.46 1.20 1.81 -1.23 -4.87 118.95 115.05 1ndf s ARG 321 Ca 0.54 -1.53 0.06 0.00 -1.72 0.00 0.00 55.73 53.09 1ndf s ARG 321 Cb 0.37 0.45 0.18 0.00 -0.45 0.00 0.00 34.95 35.50 1ndf s ARG 321 CO -0.20 -0.71 0.58 -0.46 -0.68 0.00 0.00 175.30 173.83 1ndf s TRP 322 N -3.51 -0.86 -1.30 -0.53 -0.11 -1.26 -4.25 118.94 107.12 1ndf s TRP 322 Ca 0.27 -0.85 0.00 0.00 1.22 0.00 0.00 56.10 56.75 1ndf s TRP 322 Cb 0.00 -0.05 0.01 0.00 -1.50 0.00 0.00 33.47 31.92 1ndf s TRP 322 CO 0.14 -1.12 0.86 1.19 -4.62 0.00 0.00 176.95 173.40 1ndf n PHE 323 N 3.36 0.00 0.22 5.86 3.01 -1.26 -1.04 117.46 127.61 1ndf n PHE 323 Ca 0.18 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.76 1ndf n PHE 323 Cb 0.53 -0.35 0.16 0.00 -0.01 0.00 0.00 39.48 39.80 1ndf n PHE 323 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1ndf h ASP 324 N 0.00 0.00 -3.23 4.37 3.32 -1.87 -3.44 116.42 115.58 1ndf h ASP 324 Ca 0.00 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 1ndf h ASP 324 Cb 0.00 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.59 1ndf h ASP 324 CO 0.00 0.00 0.73 -0.75 -1.72 0.00 0.00 179.24 177.50 1ndf s LYS 325 N -3.23 4.31 0.08 3.56 2.47 -0.21 -0.60 119.74 126.13 1ndf s LYS 325 Ca 0.06 2.17 -0.26 0.00 -1.56 0.00 0.00 55.97 56.39 1ndf s LYS 325 Cb 0.06 -3.17 -0.16 0.00 -1.46 0.00 0.00 37.83 33.09 1ndf s LYS 325 CO 0.68 -0.39 1.69 1.15 0.16 0.00 0.00 175.35 178.64 1ndf h THR 326 N 3.83 0.84 -3.29 3.43 2.02 -1.86 -3.30 112.91 114.58 1ndf h THR 326 Ca -0.44 -0.04 -0.67 0.00 0.77 0.00 0.00 66.41 66.02 1ndf h THR 326 Cb 1.21 0.87 -0.35 0.00 -1.74 0.00 0.00 68.15 68.15 1ndf h THR 326 CO 0.81 0.01 -0.83 -0.76 0.37 0.00 0.00 175.52 175.12 1ndf s LEU 327 N -10.12 2.55 -0.22 2.58 1.43 -1.26 -1.63 118.68 112.02 1ndf s LEU 327 Ca -0.14 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.16 1ndf s LEU 327 Cb 0.05 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.79 1ndf s LEU 327 CO 0.65 -0.05 -0.11 -1.10 0.23 0.00 0.00 176.35 175.97 1ndf s GLN 328 N 1.27 2.14 -0.21 1.70 -0.21 -1.03 -1.82 119.66 121.49 1ndf s GLN 328 Ca 0.02 -1.03 -0.14 0.00 0.02 0.00 0.00 55.36 54.23 1ndf s GLN 328 Cb -0.15 -2.62 -0.04 0.00 1.00 0.00 0.00 33.01 31.20 1ndf s GLN 328 CO -0.10 -0.48 0.31 -0.06 -2.12 0.00 0.00 175.29 172.84 1ndf s PHE 329 N 1.29 3.35 -0.29 0.91 0.40 0.53 -2.07 117.98 122.10 1ndf s PHE 329 Ca -0.04 0.47 -0.05 0.00 -0.60 0.00 0.00 56.93 56.71 1ndf s PHE 329 Cb -0.17 -2.43 0.02 0.00 0.51 0.00 0.00 43.02 40.95 1ndf s PHE 329 CO -0.07 0.03 0.04 0.42 0.70 0.00 0.00 175.22 176.33 1ndf s ILE 330 N 1.19 3.62 -0.44 0.64 1.01 0.19 -0.12 121.20 127.29 1ndf s ILE 330 Ca 0.15 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.85 1ndf s ILE 330 Cb -0.14 -2.89 0.09 0.00 0.01 0.00 0.00 42.46 39.53 1ndf s ILE 330 CO 0.06 0.08 0.31 -0.69 0.00 0.00 0.00 174.94 174.70 1ndf s VAL 331 N 1.43 4.32 1.10 2.92 1.01 -0.55 -0.79 120.40 129.83 1ndf s VAL 331 Ca 0.01 -1.52 -0.15 0.00 0.00 0.00 0.00 61.98 60.32 1ndf s VAL 331 Cb -0.17 -3.71 0.24 0.00 0.00 0.00 0.00 36.38 32.73 1ndf s VAL 331 CO 0.01 -0.62 1.09 0.00 0.00 0.00 0.00 175.10 175.58 1ndf s ALA 332 N 1.42 0.69 -0.09 5.51 0.00 -0.26 -2.54 121.76 126.50 1ndf s ALA 332 Ca 0.04 -0.60 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 1ndf s ALA 332 Cb -0.24 -3.03 -0.24 0.00 0.00 0.00 0.00 23.12 19.61 1ndf s ALA 332 CO 0.01 -3.23 0.95 1.49 0.00 0.00 0.00 175.76 174.99 1ndf h GLU 333 N -2.24 0.06 0.00 0.00 4.22 -1.82 -3.32 114.58 111.48 1ndf h GLU 333 Ca -0.51 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.86 1ndf h GLU 333 Cb 1.32 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1ndf h GLU 333 CO 0.48 0.87 0.00 -0.40 -2.18 0.00 0.00 179.01 177.79 1ndf n ASP 334 N -4.62 0.00 0.00 1.04 5.68 -1.26 -4.82 116.55 112.56 1ndf n ASP 334 Ca -0.10 -0.32 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 1ndf n ASP 334 Cb 0.45 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1ndf n ASP 334 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ndf n GLY 335 N 0.17 2.49 3.74 6.12 0.00 -1.25 -4.88 105.19 111.58 1ndf n GLY 335 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1ndf n GLY 335 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ndf s SER 336 N -1.59 4.40 0.14 1.61 0.01 -1.26 -0.85 113.70 116.16 1ndf s SER 336 Ca 0.00 2.19 -0.16 0.00 1.31 0.00 0.00 55.95 59.29 1ndf s SER 336 Cb 0.00 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.69 1ndf s SER 336 CO 0.00 -2.11 0.41 0.00 0.41 0.00 0.00 173.24 171.95 1ndf n GLY 338 N -0.25 -0.55 3.84 0.00 0.00 0.03 -1.05 105.19 107.21 1ndf n GLY 338 Ca -0.14 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.08 1ndf n GLY 338 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1ndf s MET 339 N -0.55 1.91 -0.09 1.61 0.23 -0.42 0.53 119.30 122.51 1ndf s MET 339 Ca 0.00 -1.12 -0.06 0.00 -1.03 0.00 0.00 55.69 53.48 1ndf s MET 339 Cb 0.00 0.60 0.04 0.00 -1.53 0.00 0.00 34.83 33.94 1ndf s MET 339 CO 0.00 -0.88 0.22 0.54 -2.03 0.00 0.00 175.02 172.87 1ndf s VAL 340 N -3.35 -0.03 0.08 5.16 0.11 -0.88 0.87 120.40 122.36 1ndf s VAL 340 Ca 0.13 0.11 0.07 0.00 -2.93 0.00 0.00 61.98 59.35 1ndf s VAL 340 Cb -0.05 -0.34 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 1ndf s VAL 340 CO 0.08 0.04 -0.19 -0.72 -3.33 0.00 0.00 175.10 170.99 1ndf s TYR 341 N 0.90 1.62 -0.20 1.54 -0.85 -0.89 -2.48 117.35 117.00 1ndf s TYR 341 Ca -0.06 -0.41 -0.28 0.00 -0.52 0.00 0.00 57.07 55.79 1ndf s TYR 341 Cb -0.08 -0.91 0.00 0.00 0.38 0.00 0.00 41.96 41.35 1ndf s TYR 341 CO -0.06 0.14 0.98 -2.00 -1.52 0.00 0.00 175.55 173.09 1ndf s GLU 342 N -1.69 4.28 0.51 -3.49 -6.30 -0.64 -3.18 118.70 108.18 1ndf s GLU 342 Ca 0.04 1.26 0.23 0.00 -2.50 0.00 0.00 54.97 54.00 1ndf s GLU 342 Cb -0.10 -3.61 1.35 0.00 0.00 0.00 0.00 34.13 31.77 1ndf s GLU 342 CO 0.03 -0.51 2.08 1.25 0.02 0.00 0.00 175.26 178.12 1ndf h HIS 343 N 7.40 0.00 -0.58 5.30 -0.00 -1.85 -3.02 115.15 122.39 1ndf h HIS 343 Ca -0.23 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.18 1ndf h HIS 343 Cb 1.09 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.47 1ndf h HIS 343 CO 0.74 0.12 0.39 0.00 -0.00 0.00 0.00 177.93 179.17 1ndf h ALA 344 N 1.88 1.75 -0.22 5.26 0.00 -1.94 -2.81 119.26 123.17 1ndf h ALA 344 Ca -0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1ndf h ALA 344 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1ndf h ALA 344 CO 0.02 0.17 -0.48 0.00 0.00 0.00 0.00 179.25 178.95 1ndf h ALA 345 N 1.67 0.74 -2.38 0.00 0.00 -1.88 -3.49 119.26 113.91 1ndf h ALA 345 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ndf h ALA 345 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ndf h ALA 345 CO -0.07 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1ndf n ALA 346 N -2.52 0.00 -2.68 0.00 0.00 -1.06 -4.57 120.51 109.68 1ndf n ALA 346 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1ndf n ALA 346 Cb 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 1ndf n ALA 346 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ndf s GLU 347 N -0.64 2.07 0.04 0.00 0.41 -1.26 -4.75 118.70 114.57 1ndf s GLU 347 Ca 0.00 -2.27 -0.27 0.00 -0.41 0.00 0.00 54.97 52.02 1ndf s GLU 347 Cb 0.00 -1.48 -0.17 0.00 -1.78 0.00 0.00 34.13 30.70 1ndf s GLU 347 CO 0.00 -0.26 1.47 0.78 -0.49 0.00 0.00 175.26 176.77 1ndf h GLY 348 N 1.56 -0.46 -0.58 -1.39 0.00 -1.99 -3.23 103.07 96.98 1ndf h GLY 348 Ca -0.43 0.17 0.16 0.00 0.00 0.00 0.00 47.33 47.22 1ndf h GLY 348 CO 0.75 -0.17 -0.21 -2.55 0.00 0.00 0.00 176.54 174.37 1ndf h PRO 349 N -0.61 -0.01 -0.71 4.80 0.11 -1.94 0.15 132.00 133.80 1ndf h PRO 349 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1ndf h PRO 349 Cb 0.44 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.52 1ndf h PRO 349 CO 0.07 -0.01 0.41 -1.35 -0.21 0.00 0.00 178.00 176.92 1ndf h PRO 350 N -0.01 0.96 -0.39 1.05 0.11 -1.97 -0.85 132.00 130.91 1ndf h PRO 350 Ca 0.37 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.35 1ndf h PRO 350 Cb 0.58 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 1ndf h PRO 350 CO -0.81 0.69 0.09 0.82 -0.21 0.00 0.00 178.00 178.59 1ndf h ILE 351 N 0.98 1.23 -0.05 4.15 1.08 -0.81 -2.67 117.51 121.41 1ndf h ILE 351 Ca 0.25 -0.78 -0.11 0.00 -0.39 0.00 0.00 64.86 63.83 1ndf h ILE 351 Cb -0.01 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 1ndf h ILE 351 CO -0.04 0.27 -0.49 -0.37 -0.69 0.00 0.00 178.15 176.83 1ndf h VAL 352 N 0.49 1.35 -0.56 1.67 -1.51 -0.59 -0.45 116.25 116.65 1ndf h VAL 352 Ca 0.12 -1.71 -0.05 0.00 -1.23 0.00 0.00 66.70 63.84 1ndf h VAL 352 Cb 0.31 1.86 -0.03 0.00 -2.13 0.00 0.00 31.29 31.31 1ndf h VAL 352 CO 0.00 0.50 0.15 0.00 -1.23 0.00 0.00 177.57 176.99 1ndf h ALA 353 N 1.40 1.20 -0.11 5.19 0.00 -1.02 0.45 119.26 126.36 1ndf h ALA 353 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1ndf h ALA 353 Cb 0.91 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ndf h ALA 353 CO 0.07 0.55 -0.51 1.25 0.00 0.00 0.00 179.25 180.61 1ndf h LEU 354 N 0.83 0.65 -0.33 0.00 6.46 -1.18 -2.57 115.31 119.18 1ndf h LEU 354 Ca 0.18 -0.63 0.01 0.00 -0.12 0.00 0.00 57.88 57.32 1ndf h LEU 354 Cb 0.29 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 1ndf h LEU 354 CO -0.00 1.18 0.21 0.58 -0.62 0.00 0.00 178.44 179.78 1ndf h VAL 355 N 0.17 1.07 -0.28 1.05 2.07 -0.52 -0.12 116.25 119.68 1ndf h VAL 355 Ca -0.03 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1ndf h VAL 355 Cb 1.15 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1ndf h VAL 355 CO 0.11 0.08 0.16 0.44 0.02 0.00 0.00 177.57 178.38 1ndf h ASP 356 N 0.43 0.35 -0.53 0.57 3.32 -0.16 0.42 116.42 120.81 1ndf h ASP 356 Ca 0.12 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.11 1ndf h ASP 356 Cb -0.03 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1ndf h ASP 356 CO -0.04 0.32 0.35 -0.74 -1.72 0.00 0.00 179.24 177.41 1ndf h HIS 357 N 0.35 0.66 0.35 4.55 2.76 -1.21 -2.47 115.15 120.13 1ndf h HIS 357 Ca 0.10 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.27 1ndf h HIS 357 Cb 0.04 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1ndf h HIS 357 CO -0.04 0.41 -0.17 0.28 -1.30 0.00 0.00 177.93 177.12 1ndf h VAL 358 N 0.71 0.61 -0.55 5.26 2.07 -0.77 -1.69 116.25 121.89 1ndf h VAL 358 Ca 0.20 -0.59 0.16 0.00 0.82 0.00 0.00 66.70 67.29 1ndf h VAL 358 Cb -0.07 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1ndf h VAL 358 CO -0.05 0.10 0.43 0.24 0.02 0.00 0.00 177.57 178.31 1ndf h MET 359 N -0.82 0.00 0.13 1.57 2.07 -0.93 0.13 114.93 117.07 1ndf h MET 359 Ca -0.05 0.00 -0.26 0.00 -2.07 0.00 0.00 59.70 57.32 1ndf h MET 359 Cb 0.53 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 30.28 1ndf h MET 359 CO 0.08 0.00 -1.11 1.49 1.07 0.00 0.00 176.91 178.43 1ndf h GLU 360 N 0.00 0.53 -0.70 1.72 4.81 -1.38 -3.28 114.58 116.27 1ndf h GLU 360 Ca 0.26 -0.74 -0.02 0.00 -0.13 0.00 0.00 59.36 58.73 1ndf h GLU 360 Cb 1.11 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 1ndf h GLU 360 CO -0.00 1.33 0.36 -0.92 -0.73 0.00 0.00 179.01 179.05 1ndf h TYR 361 N 0.09 0.97 0.00 0.92 5.03 0.12 -1.18 116.97 122.92 1ndf h TYR 361 Ca -0.18 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.11 1ndf h TYR 361 Cb 1.82 -0.31 0.00 0.00 1.55 0.00 0.00 36.73 39.79 1ndf h TYR 361 CO 0.14 0.69 0.00 0.25 -1.32 0.00 0.00 178.16 177.92 1ndf n THR 362 N -4.35 0.36 0.22 1.81 -2.24 0.16 -1.92 114.28 108.32 1ndf n THR 362 Ca 0.07 0.09 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 1ndf n THR 362 Cb 0.12 -0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 67.35 1ndf n THR 362 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ndf n LYS 363 N -1.14 1.43 -1.17 -0.78 5.02 -0.46 -5.03 118.16 116.03 1ndf n LYS 363 Ca 0.07 -0.07 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 1ndf n LYS 363 Cb 0.06 -1.20 0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1ndf n LYS 363 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ndf n LYS 364 N -1.67 0.24 -0.35 1.97 5.02 -0.81 -4.99 118.16 117.57 1ndf n LYS 364 Ca -0.00 0.14 -0.27 0.00 -2.02 0.00 0.00 58.31 56.16 1ndf n LYS 364 Cb 0.27 -2.14 0.25 0.00 -0.02 0.00 0.00 35.03 33.39 1ndf n LYS 364 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ndf n PRO 365 N -2.01 -4.21 -3.72 1.97 -0.02 -1.26 -5.06 135.00 120.69 1ndf n PRO 365 Ca 0.12 -1.34 -0.23 0.00 -2.02 0.00 0.00 63.50 60.02 1ndf n PRO 365 Cb 0.50 -1.63 -0.18 0.00 -0.02 0.00 0.00 33.50 32.18 1ndf n PRO 365 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ndf s GLU 366 N -4.91 0.34 0.00 -0.52 2.02 -1.26 -5.08 118.70 109.29 1ndf s GLU 366 Ca 0.60 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.72 1ndf s GLU 366 Cb -0.09 -1.00 0.00 0.00 0.10 0.00 0.00 34.13 33.13 1ndf s GLU 366 CO 0.49 -0.38 0.00 1.28 0.02 0.00 0.00 175.26 176.68 1ndf n LEU 367 N 5.20 0.00 -4.53 1.80 4.77 -1.26 -5.00 117.00 117.98 1ndf n LEU 367 Ca -0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.53 1ndf n LEU 367 Cb 0.50 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.53 1ndf n LEU 367 CO 0.09 0.00 2.03 1.33 -1.33 0.00 0.00 177.39 179.51 1ndf n VAL 368 N 0.00 -0.00 -2.40 4.08 0.24 -1.26 -4.82 118.33 114.18 1ndf n VAL 368 Ca 0.00 -0.54 -0.26 0.00 -2.04 0.00 0.00 64.34 61.50 1ndf n VAL 368 Cb 0.00 -2.16 0.00 0.00 -1.47 0.00 0.00 33.84 30.21 1ndf n VAL 368 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ndf n ARG 369 N 8.78 3.43 -1.35 7.34 5.12 -1.26 -5.08 116.66 133.64 1ndf n ARG 369 Ca 0.43 -4.42 -0.36 0.00 -1.93 0.00 0.00 57.85 51.57 1ndf n ARG 369 Cb 0.39 -2.24 0.09 0.00 -1.16 0.00 0.00 32.46 29.54 1ndf n ARG 369 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1ndf n SER 370 N -0.52 0.40 -4.69 0.55 2.88 -1.26 -4.92 113.62 106.06 1ndf n SER 370 Ca 0.39 0.66 -0.42 0.00 -1.33 0.00 0.00 58.87 58.17 1ndf n SER 370 Cb 0.72 -1.40 -0.03 0.00 -0.75 0.00 0.00 64.21 62.76 1ndf n SER 370 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ndf s PRO 371 N -3.31 4.34 0.00 -1.46 0.04 -1.26 -5.01 135.00 128.34 1ndf s PRO 371 Ca 0.73 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1ndf s PRO 371 Cb -0.34 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1ndf s PRO 371 CO 0.51 -0.47 0.00 0.00 0.04 0.00 0.00 177.00 177.08 1ndf n MET 372 N 5.26 2.15 -4.09 4.56 0.00 -1.26 -5.11 117.12 118.63 1ndf n MET 372 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.71 1ndf n MET 372 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 33.22 33.60 1ndf n MET 372 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1ndf s VAL 373 N 0.00 0.00 -0.04 3.17 -7.23 -1.26 -5.02 120.40 110.02 1ndf s VAL 373 Ca 0.00 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1ndf s VAL 373 Cb 0.00 -2.35 -0.08 0.00 0.56 0.00 0.00 36.38 34.52 1ndf s VAL 373 CO 0.00 0.00 1.45 -2.65 -0.31 0.00 0.00 175.10 173.59 1ndf n PRO 374 N -0.33 0.64 -0.64 4.82 -0.02 -1.26 -4.90 135.00 133.32 1ndf n PRO 374 Ca 0.00 -0.36 -0.20 0.00 -2.02 0.00 0.00 63.50 60.92 1ndf n PRO 374 Cb 0.64 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1ndf n PRO 374 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ndf n LEU 375 N 3.01 -1.60 -4.70 2.45 4.77 -1.26 -4.85 117.00 114.81 1ndf n LEU 375 Ca 0.14 0.37 -0.32 0.00 -0.03 0.00 0.00 56.01 56.16 1ndf n LEU 375 Cb 0.26 -0.43 0.13 0.00 -2.33 0.00 0.00 43.42 41.04 1ndf n LEU 375 CO 0.25 -2.22 0.73 -2.16 -1.33 0.00 0.00 177.39 172.66 1ndf s PRO 376 N -0.50 1.62 0.13 3.23 0.04 -1.26 -4.99 135.00 133.27 1ndf s PRO 376 Ca 0.29 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 62.74 1ndf s PRO 376 Cb -0.29 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1ndf s PRO 376 CO 0.32 -2.19 0.63 1.41 0.04 0.00 0.00 177.00 177.20 1ndf s MET 377 N -4.37 4.24 0.18 4.56 1.75 -1.26 -5.00 119.30 119.39 1ndf s MET 377 Ca 0.69 0.79 -0.32 0.00 -1.25 0.00 0.00 55.69 55.61 1ndf s MET 377 Cb -0.25 -3.13 -0.10 0.00 2.84 0.00 0.00 34.83 34.19 1ndf s MET 377 CO 0.52 0.56 1.58 -2.14 -0.65 0.00 0.00 175.02 174.90 1ndf s PRO 378 N -1.40 4.20 0.17 4.11 0.02 -1.26 -4.96 135.00 135.88 1ndf s PRO 378 Ca 0.34 2.39 -0.30 0.00 0.02 0.00 0.00 61.00 63.45 1ndf s PRO 378 Cb -0.19 -3.14 -0.08 0.00 0.02 0.00 0.00 34.50 31.11 1ndf s PRO 378 CO 0.21 -0.62 1.26 0.15 -0.33 0.00 0.00 177.00 177.66 1ndf s LYS 379 N 1.04 4.43 0.10 5.54 1.02 -0.89 -4.78 119.74 126.21 1ndf s LYS 379 Ca 0.70 1.95 -0.26 0.00 0.02 0.00 0.00 55.97 58.38 1ndf s LYS 379 Cb -0.44 -3.23 -0.07 0.00 -0.52 0.00 0.00 37.83 33.57 1ndf s LYS 379 CO 0.32 -0.20 0.80 0.21 -0.92 0.00 0.00 175.35 175.56 1ndf s LYS 380 N 0.06 4.56 -1.10 1.68 2.20 -1.26 0.41 119.74 126.28 1ndf s LYS 380 Ca 0.56 1.16 -0.11 0.00 -0.36 0.00 0.00 55.97 57.21 1ndf s LYS 380 Cb -0.34 -3.33 0.25 0.00 -1.51 0.00 0.00 37.83 32.90 1ndf s LYS 380 CO 0.36 0.39 1.14 -0.51 -0.36 0.00 0.00 175.35 176.37 1ndf s LEU 381 N -0.48 6.09 0.73 5.43 1.43 -0.29 -4.90 118.68 126.69 1ndf s LEU 381 Ca 0.39 -3.33 -0.13 0.00 -1.03 0.00 0.00 54.13 50.03 1ndf s LEU 381 Cb -0.22 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.78 1ndf s LEU 381 CO 0.25 -0.44 1.11 -0.13 0.23 0.00 0.00 176.35 177.38 1ndf s ARG 382 N -0.41 2.41 -0.07 1.70 0.52 -1.26 -4.43 118.95 117.41 1ndf s ARG 382 Ca 0.32 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.86 1ndf s ARG 382 Cb -0.08 -1.91 0.02 0.00 0.52 0.00 0.00 34.95 33.50 1ndf s ARG 382 CO -0.07 -1.55 -0.05 -0.06 0.02 0.00 0.00 175.30 173.60 1ndf s PHE 383 N -2.58 0.94 -0.60 -0.53 0.08 -1.26 -4.52 117.98 109.51 1ndf s PHE 383 Ca 0.65 -0.33 -0.22 0.00 0.12 0.00 0.00 56.93 57.15 1ndf s PHE 383 Cb -0.20 -0.86 0.07 0.00 -0.57 0.00 0.00 43.02 41.46 1ndf s PHE 383 CO 0.49 -0.30 0.86 -0.80 -0.10 0.00 0.00 175.22 175.37 1ndf s ASN 384 N 1.35 6.22 0.28 1.36 0.01 -1.26 -5.03 114.94 117.87 1ndf s ASN 384 Ca -0.04 -0.92 -0.28 0.00 -0.71 0.00 0.00 52.86 50.91 1ndf s ASN 384 Cb -0.14 -2.38 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 1ndf s ASN 384 CO -0.03 -1.26 0.97 -0.63 -1.51 0.00 0.00 177.10 174.64 1ndf s ILE 385 N 3.58 4.03 0.26 0.60 -1.09 -1.26 -4.99 121.20 122.33 1ndf s ILE 385 Ca 0.21 1.89 0.05 0.00 -2.23 0.00 0.00 60.65 60.57 1ndf s ILE 385 Cb -0.18 -4.15 -0.06 0.00 -1.58 0.00 0.00 42.46 36.50 1ndf s ILE 385 CO 0.12 0.34 -0.02 0.42 -1.23 0.00 0.00 174.94 174.57 1ndf s THR 386 N -1.34 1.30 0.41 2.92 -4.23 -1.26 -4.98 115.64 108.46 1ndf s THR 386 Ca 0.45 -2.07 0.15 0.00 -1.18 0.00 0.00 61.69 59.04 1ndf s THR 386 Cb -0.24 -2.43 0.35 0.00 1.34 0.00 0.00 72.50 71.52 1ndf s THR 386 CO 0.30 -0.29 1.90 -0.65 -0.54 0.00 0.00 174.62 175.35 1ndf h PRO 387 N 2.36 0.45 -0.13 3.99 0.11 -1.98 0.21 132.00 137.01 1ndf h PRO 387 Ca -0.39 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 1ndf h PRO 387 Cb 1.23 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ndf h PRO 387 CO 0.66 0.30 -0.25 1.49 -0.21 0.00 0.00 178.00 179.99 1ndf h GLU 388 N 0.46 0.39 -0.52 1.05 4.81 -1.99 -1.92 114.58 116.86 1ndf h GLU 388 Ca 0.39 -0.25 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1ndf h GLU 388 Cb 0.86 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 1ndf h GLU 388 CO -0.14 0.85 0.05 0.82 -0.73 0.00 0.00 179.01 179.87 1ndf h ILE 389 N -0.02 1.26 -0.95 2.32 2.04 -1.74 -2.00 117.51 118.41 1ndf h ILE 389 Ca 0.00 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1ndf h ILE 389 Cb 0.84 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1ndf h ILE 389 CO 0.06 0.36 0.58 0.50 0.00 0.00 0.00 178.15 179.64 1ndf h LYS 390 N 0.76 1.28 -0.72 2.37 3.64 -0.65 -1.23 116.57 122.02 1ndf h LYS 390 Ca 0.15 -0.11 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1ndf h LYS 390 Cb 0.45 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1ndf h LYS 390 CO 0.02 0.89 0.26 -0.97 -2.27 0.00 0.00 179.45 177.38 1ndf h ASN 391 N 1.30 1.02 -0.03 4.20 -1.24 -1.04 -1.66 115.58 118.13 1ndf h ASN 391 Ca 0.34 -0.19 -0.08 0.00 0.71 0.00 0.00 56.30 57.09 1ndf h ASN 391 Cb -0.07 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 1ndf h ASN 391 CO -0.07 0.93 -0.20 0.44 -1.29 0.00 0.00 177.43 177.25 1ndf h ASP 392 N 1.05 0.39 -0.54 1.15 3.32 -0.81 -0.61 116.42 120.37 1ndf h ASP 392 Ca 0.24 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1ndf h ASP 392 Cb 0.25 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1ndf h ASP 392 CO -0.01 0.60 0.08 0.40 -1.72 0.00 0.00 179.24 178.58 1ndf h ILE 393 N 0.36 1.25 -0.03 0.35 2.04 -0.60 0.28 117.51 121.16 1ndf h ILE 393 Ca 0.06 -0.99 -0.18 0.00 1.00 0.00 0.00 64.86 64.75 1ndf h ILE 393 Cb 0.55 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1ndf h ILE 393 CO 0.04 0.36 -0.78 -0.33 0.00 0.00 0.00 178.15 177.44 1ndf h GLU 394 N 0.89 0.25 -0.34 2.37 4.39 -0.84 -1.49 114.58 119.82 1ndf h GLU 394 Ca 0.18 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1ndf h GLU 394 Cb 0.42 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 1ndf h GLU 394 CO 0.01 0.91 -0.26 0.87 -1.16 0.00 0.00 179.01 179.38 1ndf h LYS 395 N 0.16 0.68 -0.31 2.33 1.79 -0.77 -2.42 116.57 118.03 1ndf h LYS 395 Ca -0.03 -0.28 -0.09 0.00 -2.18 0.00 0.00 60.65 58.07 1ndf h LYS 395 Cb 1.37 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.98 1ndf h LYS 395 CO 0.12 0.87 -0.14 0.00 -1.08 0.00 0.00 179.45 179.23 1ndf h ALA 396 N 1.12 0.44 -0.63 3.86 0.00 -0.80 -2.09 119.26 121.15 1ndf h ALA 396 Ca 0.08 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1ndf h ALA 396 Cb 0.75 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1ndf h ALA 396 CO 0.06 0.33 0.34 0.87 0.00 0.00 0.00 179.25 180.84 1ndf h LYS 397 N 0.41 0.60 -0.35 0.00 1.57 -1.14 -0.64 116.57 117.02 1ndf h LYS 397 Ca 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1ndf h LYS 397 Cb 0.66 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1ndf h LYS 397 CO 0.04 0.40 0.09 1.96 -0.57 0.00 0.00 179.45 181.38 1ndf h GLN 398 N 0.62 0.55 0.01 3.15 4.20 -1.35 -0.78 115.11 121.51 1ndf h GLN 398 Ca 0.29 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1ndf h GLN 398 Cb 0.20 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1ndf h GLN 398 CO -0.19 0.59 -0.01 -0.97 -0.67 0.00 0.00 178.83 177.58 1ndf h ASN 399 N 0.41 -0.02 -0.75 1.46 -1.24 -0.94 -2.51 115.58 111.99 1ndf h ASN 399 Ca 0.11 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.08 1ndf h ASN 399 Cb 0.28 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.30 1ndf h ASN 399 CO -0.00 0.00 0.39 0.25 -1.29 0.00 0.00 177.43 176.78 1ndf h LEU 400 N -0.03 0.97 -0.54 0.34 5.85 -1.08 -2.23 115.31 118.58 1ndf h LEU 400 Ca -0.00 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1ndf h LEU 400 Cb 0.03 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.75 1ndf h LEU 400 CO 0.00 0.80 0.24 -1.28 -0.34 0.00 0.00 178.44 177.87 1ndf h SER 401 N 1.08 0.30 -0.64 1.25 0.87 -0.87 -0.37 113.55 115.18 1ndf h SER 401 Ca 0.27 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 60.80 1ndf h SER 401 Cb 0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1ndf h SER 401 CO -0.04 0.20 0.10 0.40 -0.53 0.00 0.00 176.83 176.96 1ndf h ILE 402 N 0.46 1.26 0.08 2.23 2.04 -1.07 -2.30 117.51 120.20 1ndf h ILE 402 Ca 0.25 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1ndf h ILE 402 Cb 0.23 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1ndf h ILE 402 CO -0.22 0.38 -0.04 0.24 0.00 0.00 0.00 178.15 178.52 1ndf h MET 403 N 0.97 -0.10 -0.89 2.37 2.86 -0.79 -2.55 114.93 116.80 1ndf h MET 403 Ca 0.19 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1ndf h MET 403 Cb 0.44 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1ndf h MET 403 CO 0.01 -0.02 0.59 0.82 1.06 0.00 0.00 176.91 179.37 1ndf h ILE 404 N -0.16 1.22 0.00 -1.22 2.04 -1.04 -1.87 117.51 116.48 1ndf h ILE 404 Ca -0.01 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1ndf h ILE 404 Cb 0.13 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1ndf h ILE 404 CO 0.02 0.22 -0.02 1.56 0.00 0.00 0.00 178.15 179.93 1ndf h GLN 405 N 1.20 0.00 -0.01 2.37 4.20 -1.29 -2.50 115.11 119.08 1ndf h GLN 405 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1ndf h GLN 405 Cb -0.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1ndf h GLN 405 CO -0.07 0.02 -0.30 -3.47 -0.67 0.00 0.00 178.83 174.34 1ndf n ASP 406 N -3.15 1.63 -4.72 1.46 2.03 -0.73 -4.83 116.55 108.24 1ndf n ASP 406 Ca -0.01 -1.29 -0.37 0.00 0.52 0.00 0.00 54.79 53.64 1ndf n ASP 406 Cb 0.24 0.25 -0.06 0.00 -0.72 0.00 0.00 41.12 40.82 1ndf n ASP 406 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ndf s LEU 407 N -2.40 4.25 -0.27 -2.67 2.96 -0.94 -0.43 118.68 119.18 1ndf s LEU 407 Ca 0.24 0.68 -0.00 0.00 -0.22 0.00 0.00 54.13 54.83 1ndf s LEU 407 Cb 0.19 -2.57 0.04 0.00 0.50 0.00 0.00 46.19 44.35 1ndf s LEU 407 CO 0.50 0.02 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.87 1ndf s ASP 408 N 0.63 4.51 -0.07 3.68 2.15 0.59 -4.86 116.67 123.30 1ndf s ASP 408 Ca 0.22 -1.17 0.05 0.00 0.43 0.00 0.00 52.55 52.09 1ndf s ASP 408 Cb -0.14 -1.64 -0.01 0.00 -0.30 0.00 0.00 42.92 40.83 1ndf s ASP 408 CO 0.08 -0.19 -0.24 -0.63 -0.17 0.00 0.00 175.17 174.02 1ndf s ILE 409 N 1.23 2.02 -0.12 4.11 1.01 -1.26 -0.13 121.20 128.06 1ndf s ILE 409 Ca -0.04 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 59.57 1ndf s ILE 409 Cb -0.19 -1.72 0.03 0.00 0.01 0.00 0.00 42.46 40.59 1ndf s ILE 409 CO -0.04 0.56 -0.08 -0.32 0.00 0.00 0.00 174.94 175.06 1ndf s MET 410 N -0.02 1.60 -0.15 2.79 1.75 0.11 -4.88 119.30 120.50 1ndf s MET 410 Ca -0.08 -0.31 -0.14 0.00 -1.25 0.00 0.00 55.69 53.92 1ndf s MET 410 Cb -0.15 -1.68 -0.05 0.00 2.84 0.00 0.00 34.83 35.79 1ndf s MET 410 CO 0.05 -0.28 0.29 -1.64 -0.65 0.00 0.00 175.02 172.79 1ndf s MET 411 N 1.68 4.22 -0.12 4.11 -1.94 -1.26 -0.47 119.30 125.51 1ndf s MET 411 Ca 0.05 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.13 1ndf s MET 411 Cb -0.13 -3.41 0.02 0.00 2.01 0.00 0.00 34.83 33.32 1ndf s MET 411 CO -0.08 0.27 -0.11 -1.17 -0.01 0.00 0.00 175.02 173.91 1ndf s LEU 412 N 0.37 1.47 -0.52 -0.03 2.96 0.24 -4.94 118.68 118.23 1ndf s LEU 412 Ca 0.17 -0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 53.52 1ndf s LEU 412 Cb -0.13 -1.01 0.11 0.00 0.50 0.00 0.00 46.19 45.66 1ndf s LEU 412 CO 0.04 -0.07 0.49 -0.89 -1.32 0.00 0.00 176.35 174.61 1ndf s THR 413 N 1.48 5.17 -0.80 3.68 2.01 -1.26 -0.18 115.64 125.74 1ndf s THR 413 Ca 0.03 -1.30 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 1ndf s THR 413 Cb -0.13 -4.29 0.03 0.00 0.01 0.00 0.00 72.50 68.12 1ndf s THR 413 CO -0.08 -0.81 1.35 0.12 -0.69 0.00 0.00 174.62 174.51 1ndf s PHE 414 N 1.75 2.30 -0.54 4.92 5.36 0.35 -4.85 117.98 127.28 1ndf s PHE 414 Ca 0.04 -0.18 0.24 0.00 -0.96 0.00 0.00 56.93 56.07 1ndf s PHE 414 Cb -0.28 -4.62 0.41 0.00 -0.34 0.00 0.00 43.02 38.20 1ndf s PHE 414 CO 0.05 -2.05 1.48 1.12 -1.46 0.00 0.00 175.22 174.36 1ndf h HIS 415 N 10.19 0.00 -0.65 10.12 2.07 -1.88 -1.11 115.15 133.90 1ndf h HIS 415 Ca -0.17 0.00 0.10 0.00 -2.85 0.00 0.00 60.37 57.45 1ndf h HIS 415 Cb 1.05 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.95 1ndf h HIS 415 CO 1.16 0.00 0.27 0.45 -3.07 0.00 0.00 177.93 176.74 1ndf h HIS 416 N 0.00 0.47 -2.15 6.12 3.86 -1.89 -3.44 115.15 118.13 1ndf h HIS 416 Ca 0.00 0.03 0.21 0.00 -1.16 0.00 0.00 60.37 59.45 1ndf h HIS 416 Cb 0.86 -0.11 -0.08 0.00 1.06 0.00 0.00 27.41 29.14 1ndf h HIS 416 CO 0.00 0.13 0.59 -0.59 0.86 0.00 0.00 177.93 178.92 1ndf s PHE 417 N -6.08 -0.08 0.00 2.45 -0.12 -1.23 -4.98 117.98 107.94 1ndf s PHE 417 Ca -0.13 -0.19 0.00 0.00 -0.05 0.00 0.00 56.93 56.56 1ndf s PHE 417 Cb 0.18 0.62 0.00 0.00 -0.63 0.00 0.00 43.02 43.19 1ndf s PHE 417 CO 0.75 -0.70 0.00 0.41 -0.05 0.00 0.00 175.22 175.63 1ndf n GLY 418 N -0.51 3.91 0.22 1.99 0.00 -1.21 -3.71 105.19 105.88 1ndf n GLY 418 Ca -0.06 -0.45 0.08 0.00 0.00 0.00 0.00 46.02 45.59 1ndf n GLY 418 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ndf h LYS 419 N 0.00 0.00 -0.53 1.61 1.57 -0.52 -3.28 116.57 115.43 1ndf h LYS 419 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1ndf h LYS 419 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1ndf h LYS 419 CO 0.00 0.26 0.05 0.38 -0.57 0.00 0.00 179.45 179.57 1ndf h ASP 420 N 0.00 -0.12 0.37 0.86 3.04 -1.43 -1.85 116.42 117.28 1ndf h ASP 420 Ca -0.00 0.11 -0.02 0.00 -3.24 0.00 0.00 57.03 53.88 1ndf h ASP 420 Cb 0.66 0.18 0.00 0.00 -1.04 0.00 0.00 39.33 39.14 1ndf h ASP 420 CO 0.03 -0.04 -0.18 0.15 -2.04 0.00 0.00 179.24 177.17 1ndf h PHE 421 N 0.17 -0.46 -0.78 4.15 3.57 -1.84 -1.71 116.94 120.05 1ndf h PHE 421 Ca 0.27 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.84 1ndf h PHE 421 Cb 0.40 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.24 1ndf h PHE 421 CO -0.28 -0.17 0.51 -1.35 -2.23 0.00 0.00 178.31 174.79 1ndf h PRO 422 N -0.70 0.75 -0.27 6.41 0.11 -1.72 -0.03 132.00 136.54 1ndf h PRO 422 Ca -0.05 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 1ndf h PRO 422 Cb 0.49 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1ndf h PRO 422 CO 0.08 0.49 -0.09 0.87 -0.21 0.00 0.00 178.00 179.14 1ndf h LYS 423 N 0.77 0.45 0.00 1.05 1.57 -1.21 0.14 116.57 119.34 1ndf h LYS 423 Ca 0.35 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1ndf h LYS 423 Cb 0.36 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1ndf h LYS 423 CO -0.13 0.55 0.00 -1.13 -0.57 0.00 0.00 179.45 178.17 1ndf n SER 424 N -4.24 0.26 -0.65 0.86 3.41 -0.05 -1.22 113.62 111.99 1ndf n SER 424 Ca 0.01 0.56 0.06 0.00 -0.26 0.00 0.00 58.87 59.24 1ndf n SER 424 Cb 0.29 -0.62 0.14 0.00 -0.26 0.00 0.00 64.21 63.76 1ndf n SER 424 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ndf n GLU 425 N -1.78 2.28 -3.41 4.33 -0.58 -0.54 -4.97 120.64 115.97 1ndf n GLU 425 Ca 0.03 -1.87 -0.25 0.00 -0.42 0.00 0.00 57.16 54.66 1ndf n GLU 425 Cb 0.21 -1.28 0.04 0.00 -0.57 0.00 0.00 31.44 29.84 1ndf n GLU 425 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ndf n LYS 426 N 0.64 -5.75 -4.79 3.49 4.76 -0.36 -4.99 118.16 111.16 1ndf n LYS 426 Ca 0.11 0.77 -0.31 0.00 -2.87 0.00 0.00 58.31 56.01 1ndf n LYS 426 Cb 0.41 -5.68 -0.13 0.00 -1.84 0.00 0.00 35.03 27.79 1ndf n LYS 426 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ndf s LEU 427 N -6.97 2.59 0.05 -0.35 1.43 0.39 -5.01 118.68 110.80 1ndf s LEU 427 Ca 0.47 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 1ndf s LEU 427 Cb -0.22 -1.51 -0.08 0.00 0.03 0.00 0.00 46.19 44.40 1ndf s LEU 427 CO 0.58 0.29 1.73 -0.55 0.23 0.00 0.00 176.35 178.63 1ndf s SER 428 N -1.17 6.57 0.25 2.29 0.15 -1.26 -3.79 113.70 116.74 1ndf s SER 428 Ca 0.13 2.50 -0.04 0.00 0.70 0.00 0.00 55.95 59.24 1ndf s SER 428 Cb -0.10 -2.55 0.38 0.00 -1.71 0.00 0.00 66.02 62.03 1ndf s SER 428 CO 0.03 -0.94 1.83 -0.65 1.20 0.00 0.00 173.24 174.72 1ndf h PRO 429 N 8.98 0.86 -0.42 5.44 0.11 -1.89 0.50 132.00 145.58 1ndf h PRO 429 Ca -0.43 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1ndf h PRO 429 Cb 1.20 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1ndf h PRO 429 CO 0.94 0.57 0.17 0.22 -0.21 0.00 0.00 178.00 179.68 1ndf h ASP 430 N 0.88 0.57 -0.60 -2.05 3.58 -1.99 -0.34 116.42 116.47 1ndf h ASP 430 Ca 0.39 -0.17 -0.07 0.00 0.42 0.00 0.00 57.03 57.61 1ndf h ASP 430 Cb 0.29 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 1ndf h ASP 430 CO -0.21 0.58 0.13 0.00 -2.88 0.00 0.00 179.24 176.86 1ndf h ALA 431 N 1.01 1.04 -0.37 -0.78 0.00 -1.77 -0.69 119.26 117.71 1ndf h ALA 431 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ndf h ALA 431 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1ndf h ALA 431 CO -0.01 0.62 0.21 0.35 0.00 0.00 0.00 179.25 180.43 1ndf h PHE 432 N 0.95 0.50 -0.40 0.00 3.04 -0.57 -1.18 116.94 119.27 1ndf h PHE 432 Ca 0.20 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.11 1ndf h PHE 432 Cb 0.37 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1ndf h PHE 432 CO 0.03 0.37 0.14 0.82 -2.02 0.00 0.00 178.31 177.64 1ndf h ILE 433 N 0.48 1.21 -0.80 1.41 2.04 -0.68 -1.63 117.51 119.54 1ndf h ILE 433 Ca 0.13 -0.68 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1ndf h ILE 433 Cb 0.03 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1ndf h ILE 433 CO -0.02 0.24 0.33 1.56 0.00 0.00 0.00 178.15 180.26 1ndf h GLN 434 N 0.51 1.19 -0.34 2.37 1.08 -0.95 -1.46 115.11 117.51 1ndf h GLN 434 Ca 0.13 -0.21 -0.08 0.00 -1.45 0.00 0.00 58.65 57.04 1ndf h GLN 434 Cb 0.24 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1ndf h GLN 434 CO -0.01 0.96 -0.14 0.28 -0.95 0.00 0.00 178.83 178.97 1ndf h VAL 435 N 1.16 1.25 -0.77 -0.54 2.07 -1.06 -1.96 116.25 116.39 1ndf h VAL 435 Ca 0.27 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 1ndf h VAL 435 Cb 0.21 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1ndf h VAL 435 CO -0.02 0.37 0.32 0.00 0.02 0.00 0.00 177.57 178.26 1ndf h ALA 436 N 1.30 1.00 -0.46 1.67 0.00 -0.56 -1.20 119.26 121.01 1ndf h ALA 436 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1ndf h ALA 436 Cb 0.56 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ndf h ALA 436 CO 0.04 0.61 0.01 1.25 0.00 0.00 0.00 179.25 181.16 1ndf h LEU 437 N 1.11 0.71 -0.73 0.00 5.85 -0.85 0.62 115.31 122.02 1ndf h LEU 437 Ca 0.26 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 1ndf h LEU 437 Cb 0.20 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ndf h LEU 437 CO -0.02 0.78 0.07 1.56 -0.34 0.00 0.00 178.44 180.49 1ndf h GLN 438 N 0.70 1.04 -0.41 1.25 1.08 -0.85 -0.38 115.11 117.55 1ndf h GLN 438 Ca 0.14 -0.29 -0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1ndf h GLN 438 Cb 0.42 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 1ndf h GLN 438 CO 0.02 0.98 0.12 1.25 -0.95 0.00 0.00 178.83 180.24 1ndf h LEU 439 N 0.97 0.61 -0.49 1.46 5.85 -0.55 -1.33 115.31 121.83 1ndf h LEU 439 Ca 0.19 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1ndf h LEU 439 Cb 0.46 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 1ndf h LEU 439 CO 0.02 0.67 0.27 0.00 -0.34 0.00 0.00 178.44 179.05 1ndf h ALA 440 N 0.97 0.63 -0.43 1.25 0.00 -0.60 -1.07 119.26 120.00 1ndf h ALA 440 Ca 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ndf h ALA 440 Cb 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ndf h ALA 440 CO -0.00 0.16 0.21 -0.92 0.00 0.00 0.00 179.25 178.70 1ndf h TYR 441 N 0.65 0.62 -0.48 0.00 3.20 -0.93 -2.42 116.97 117.61 1ndf h TYR 441 Ca 0.17 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 1ndf h TYR 441 Cb 0.06 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 1ndf h TYR 441 CO -0.02 0.50 -0.00 -0.92 -1.64 0.00 0.00 178.16 176.08 1ndf h TYR 442 N 0.56 0.84 0.00 -3.82 3.20 -1.04 -0.17 116.97 116.53 1ndf h TYR 442 Ca 0.15 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1ndf h TYR 442 Cb 0.11 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1ndf h TYR 442 CO -0.01 0.78 -0.23 0.00 -1.64 0.00 0.00 178.16 177.06 1ndf h ARG 443 N 0.74 0.00 0.00 1.82 3.08 -0.93 0.19 114.38 119.28 1ndf h ARG 443 Ca 0.14 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 1ndf h ARG 443 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1ndf h ARG 443 CO 0.02 0.23 -0.52 0.82 -1.07 0.00 0.00 179.97 179.44 1ndf h ILE 444 N 0.00 1.43 0.00 2.04 2.04 -0.94 -3.41 117.51 118.67 1ndf h ILE 444 Ca -0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1ndf h ILE 444 Cb 0.41 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1ndf h ILE 444 CO 0.03 0.48 -0.96 -1.22 0.00 0.00 0.00 178.15 176.49 1ndf n TYR 445 N -4.54 0.01 -1.18 1.37 4.02 -0.12 -4.99 117.16 111.73 1ndf n TYR 445 Ca -0.19 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.64 1ndf n TYR 445 Cb 0.56 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.79 1ndf n TYR 445 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ndf n GLY 446 N 1.49 0.84 3.49 2.72 0.00 0.66 -4.97 105.19 109.41 1ndf n GLY 446 Ca 0.04 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1ndf n GLY 446 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ndf s GLN 447 N -2.22 0.91 0.70 1.61 -2.07 -1.26 -5.07 119.66 112.26 1ndf s GLN 447 Ca 0.00 -0.32 -0.07 0.00 -1.82 0.00 0.00 55.36 53.16 1ndf s GLN 447 Cb 0.00 0.42 0.06 0.00 -1.09 0.00 0.00 33.01 32.39 1ndf s GLN 447 CO 0.00 -0.39 1.01 0.00 -1.32 0.00 0.00 175.29 174.59 1ndf s ALA 448 N -3.17 3.14 0.05 2.60 0.00 -1.26 -4.26 121.76 118.86 1ndf s ALA 448 Ca 0.04 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1ndf s ALA 448 Cb -0.01 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 1ndf s ALA 448 CO -0.09 -1.26 0.03 0.00 0.00 0.00 0.00 175.76 174.44 1ndf n ALA 450 N 0.44 1.78 -2.94 0.00 0.00 -1.26 -4.62 120.51 113.91 1ndf n ALA 450 Ca -0.17 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.42 1ndf n ALA 450 Cb 0.60 -2.44 -0.16 0.00 0.00 0.00 0.00 19.45 17.45 1ndf n ALA 450 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ndf s THR 451 N 1.57 1.38 -0.14 0.00 2.01 -1.26 -2.67 115.64 116.53 1ndf s THR 451 Ca 0.80 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 1ndf s THR 451 Cb -0.61 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1ndf s THR 451 CO 0.38 0.40 -0.06 -0.47 -0.69 0.00 0.00 174.62 174.18 1ndf s TYR 452 N 0.08 2.97 -0.05 4.92 5.04 -0.02 -3.27 117.35 127.02 1ndf s TYR 452 Ca -0.04 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.27 1ndf s TYR 452 Cb -0.12 -1.91 0.02 0.00 0.35 0.00 0.00 41.96 40.31 1ndf s TYR 452 CO 0.02 -0.03 -0.06 -2.00 -1.34 0.00 0.00 175.55 172.15 1ndf s GLU 453 N 0.22 1.04 0.24 4.97 2.12 -0.57 -0.24 118.70 126.48 1ndf s GLU 453 Ca -0.04 -0.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 1ndf s GLU 453 Cb -0.14 -1.01 -0.10 0.00 0.26 0.00 0.00 34.13 33.14 1ndf s GLU 453 CO 0.03 -0.08 1.51 -1.12 -0.54 0.00 0.00 175.26 175.07 1ndf s SER 454 N 0.95 6.56 -0.08 -1.70 0.01 -0.84 -1.24 113.70 117.35 1ndf s SER 454 Ca -0.10 2.74 0.03 0.00 1.31 0.00 0.00 55.95 59.93 1ndf s SER 454 Cb -0.14 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1ndf s SER 454 CO 0.00 -0.79 -0.19 0.00 0.41 0.00 0.00 173.24 172.67 1ndf s ALA 455 N 0.25 1.76 0.00 1.44 0.00 -0.74 -4.76 121.76 119.71 1ndf s ALA 455 Ca 0.63 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 1ndf s ALA 455 Cb -0.44 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1ndf s ALA 455 CO 0.42 0.22 0.94 0.45 0.00 0.00 0.00 175.76 177.79 1ndf s SER 456 N 0.44 7.33 -0.26 0.00 0.15 -1.26 -1.36 113.70 118.74 1ndf s SER 456 Ca -0.16 1.60 0.13 0.00 0.70 0.00 0.00 55.95 58.22 1ndf s SER 456 Cb -0.17 -2.55 0.64 0.00 -1.71 0.00 0.00 66.02 62.23 1ndf s SER 456 CO 0.06 -0.22 1.61 0.18 1.20 0.00 0.00 173.24 176.07 1ndf n LEU 457 N 3.78 4.93 0.00 3.45 7.99 -0.57 -4.46 117.00 132.13 1ndf n LEU 457 Ca 0.05 -3.21 0.02 0.00 -0.01 0.00 0.00 56.01 52.85 1ndf n LEU 457 Cb 0.51 -0.65 0.08 0.00 -0.11 0.00 0.00 43.42 43.25 1ndf n LEU 457 CO 0.51 0.82 0.56 0.54 -1.51 0.00 0.00 177.39 178.31 1ndf n ARG 458 N -0.38 0.00 0.00 3.23 1.74 -1.26 -1.61 116.66 118.38 1ndf n ARG 458 Ca 0.31 0.43 0.11 0.00 -0.77 0.00 0.00 57.85 57.94 1ndf n ARG 458 Cb 1.13 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 31.65 1ndf n ARG 458 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ndf n MET 459 N -1.50 0.36 -4.28 5.56 0.00 -1.26 0.65 117.12 116.65 1ndf n MET 459 Ca 0.01 0.07 -0.30 0.00 0.00 0.00 0.00 57.70 57.48 1ndf n MET 459 Cb 0.04 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.66 1ndf n MET 459 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 1ndf s PHE 460 N -2.51 2.71 -0.03 3.17 0.40 -0.63 -4.21 117.98 116.88 1ndf s PHE 460 Ca 0.22 -0.17 -0.33 0.00 -0.60 0.00 0.00 56.93 56.05 1ndf s PHE 460 Cb 0.15 -1.44 -0.11 0.00 0.51 0.00 0.00 43.02 42.13 1ndf s PHE 460 CO 0.33 0.41 1.87 1.58 0.70 0.00 0.00 175.22 180.11 1ndf n HIS 461 N 0.83 2.38 -1.17 0.36 -0.00 -0.47 -1.12 115.22 116.03 1ndf n HIS 461 Ca -0.14 -0.06 -0.06 0.00 -0.00 0.00 0.00 57.72 57.46 1ndf n HIS 461 Cb 0.52 -2.69 -0.02 0.00 -0.00 0.00 0.00 29.99 27.80 1ndf n HIS 461 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ndf n LEU 462 N 6.45 -0.05 -4.77 0.27 4.77 -1.26 -4.60 117.00 117.81 1ndf n LEU 462 Ca 0.21 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.92 1ndf n LEU 462 Cb 0.32 -1.88 -0.01 0.00 -2.33 0.00 0.00 43.42 39.52 1ndf n LEU 462 CO 0.71 -0.67 1.12 -0.83 -1.33 0.00 0.00 177.39 176.40 1ndf s GLY 463 N -2.37 2.74 0.00 -0.72 0.00 -0.28 -4.89 107.32 101.80 1ndf s GLY 463 Ca 0.00 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.21 1ndf s GLY 463 CO 0.00 2.25 0.00 0.54 0.00 0.00 0.00 173.10 175.89 1ndf n ARG 464 N 1.03 0.00 -4.14 2.90 5.12 -1.26 -4.18 116.66 116.13 1ndf n ARG 464 Ca 0.03 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.84 1ndf n ARG 464 Cb 0.39 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.61 1ndf n ARG 464 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1ndf s THR 465 N 0.29 0.02 0.32 0.55 -4.23 -1.26 -1.51 115.64 109.83 1ndf s THR 465 Ca 0.00 -1.83 0.02 0.00 -1.18 0.00 0.00 61.69 58.69 1ndf s THR 465 Cb 0.00 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 1ndf s THR 465 CO 0.00 -0.09 0.36 -0.62 -0.54 0.00 0.00 174.62 173.73 1ndf s ASP 466 N -3.10 1.17 -0.15 3.99 -1.08 -0.46 -4.84 116.67 112.20 1ndf s ASP 466 Ca 0.32 -1.59 -0.03 0.00 -0.52 0.00 0.00 52.55 50.73 1ndf s ASP 466 Cb 0.05 0.59 -0.03 0.00 -1.46 0.00 0.00 42.92 42.08 1ndf s ASP 466 CO 0.09 -1.15 -0.04 -0.89 0.52 0.00 0.00 175.17 173.70 1ndf s THR 467 N -3.34 3.90 -0.24 1.71 2.01 -1.26 -1.80 115.64 116.62 1ndf s THR 467 Ca 0.36 -0.36 -0.10 0.00 0.31 0.00 0.00 61.69 61.90 1ndf s THR 467 Cb 0.01 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 1ndf s THR 467 CO 0.23 0.50 0.14 -0.63 -0.69 0.00 0.00 174.62 174.17 1ndf s ILE 468 N 0.28 5.18 -0.37 1.82 1.01 -0.37 -4.71 121.20 124.04 1ndf s ILE 468 Ca -0.03 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.58 1ndf s ILE 468 Cb -0.14 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1ndf s ILE 468 CO 0.03 0.35 0.39 -0.13 0.00 0.00 0.00 174.94 175.59 1ndf s ARG 469 N 1.06 3.38 0.34 2.79 0.52 -1.26 -1.51 118.95 124.26 1ndf s ARG 469 Ca 0.07 -0.55 0.25 0.00 -0.52 0.00 0.00 55.73 54.98 1ndf s ARG 469 Cb -0.14 -3.87 0.67 0.00 0.52 0.00 0.00 34.95 32.13 1ndf s ARG 469 CO 0.04 -0.65 1.72 0.77 0.02 0.00 0.00 175.30 177.20 1ndf h SER 470 N 8.56 0.00 -3.61 0.23 0.02 -1.92 -3.42 113.55 113.42 1ndf h SER 470 Ca -0.28 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.04 1ndf h SER 470 Cb 1.13 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.54 1ndf h SER 470 CO 0.73 0.00 0.33 0.00 -1.14 0.00 0.00 176.83 176.75 1ndf s ALA 471 N -3.21 3.32 0.30 3.77 0.00 -1.26 -4.82 121.76 119.87 1ndf s ALA 471 Ca 0.08 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1ndf s ALA 471 Cb 0.09 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1ndf s ALA 471 CO 0.61 -1.83 0.11 -1.54 0.00 0.00 0.00 175.76 173.11 1ndf s SER 472 N 2.07 1.68 0.17 0.00 1.04 -1.26 -4.89 113.70 112.51 1ndf s SER 472 Ca 0.29 -1.47 -0.14 0.00 0.48 0.00 0.00 55.95 55.11 1ndf s SER 472 Cb -0.13 0.23 0.12 0.00 0.10 0.00 0.00 66.02 66.34 1ndf s SER 472 CO 0.21 -0.78 1.77 0.40 0.98 0.00 0.00 173.24 175.82 1ndf h ILE 473 N 2.22 0.93 -0.09 -1.02 2.04 -1.92 -0.61 117.51 119.06 1ndf h ILE 473 Ca -0.37 -0.15 -0.13 0.00 1.00 0.00 0.00 64.86 65.22 1ndf h ILE 473 Cb 1.25 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1ndf h ILE 473 CO 0.59 0.08 -0.51 0.44 0.00 0.00 0.00 178.15 178.75 1ndf h ASP 474 N 0.42 0.27 0.17 1.72 3.32 -1.96 -1.90 116.42 118.46 1ndf h ASP 474 Ca 0.21 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 1ndf h ASP 474 Cb 0.14 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ndf h ASP 474 CO -0.16 0.73 -0.75 0.77 -1.72 0.00 0.00 179.24 178.11 1ndf h SER 475 N 0.19 0.59 -0.50 6.45 4.64 -1.77 -2.17 113.55 120.98 1ndf h SER 475 Ca 0.01 -0.39 -0.10 0.00 -0.47 0.00 0.00 61.79 60.83 1ndf h SER 475 Cb 0.97 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 1ndf h SER 475 CO 0.08 1.14 -0.09 0.25 -0.87 0.00 0.00 176.83 177.34 1ndf h LEU 476 N 0.33 0.95 -0.96 5.97 5.85 -1.04 -0.89 115.31 125.52 1ndf h LEU 476 Ca -0.04 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.34 1ndf h LEU 476 Cb 1.34 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 1ndf h LEU 476 CO 0.13 1.08 0.63 0.00 -0.34 0.00 0.00 178.44 179.94 1ndf h ALA 477 N 0.90 1.22 0.14 1.25 0.00 -1.28 -1.79 119.26 119.71 1ndf h ALA 477 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ndf h ALA 477 Cb 0.65 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ndf h ALA 477 CO 0.04 0.60 -0.07 0.35 0.00 0.00 0.00 179.25 180.17 1ndf h PHE 478 N 1.29 -0.18 -0.30 0.00 3.57 -1.05 -1.24 116.94 119.03 1ndf h PHE 478 Ca 0.35 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1ndf h PHE 478 Cb -0.14 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1ndf h PHE 478 CO -0.00 0.17 0.16 -0.39 -2.23 0.00 0.00 178.31 176.02 1ndf h VAL 479 N -0.56 1.10 -0.08 1.41 -1.51 -1.08 0.31 116.25 115.84 1ndf h VAL 479 Ca -0.02 -0.26 -0.04 0.00 -1.23 0.00 0.00 66.70 65.15 1ndf h VAL 479 Cb 0.43 0.70 -0.00 0.00 -2.13 0.00 0.00 31.29 30.29 1ndf h VAL 479 CO 0.03 0.11 -0.11 0.11 -1.23 0.00 0.00 177.57 176.48 1ndf h LYS 480 N 0.41 0.22 -0.14 5.19 1.57 -1.31 -3.15 116.57 119.36 1ndf h LYS 480 Ca 0.11 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1ndf h LYS 480 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1ndf h LYS 480 CO -0.02 0.68 -0.08 0.78 -0.57 0.00 0.00 179.45 180.24 1ndf h GLY 481 N -0.23 0.22 1.22 3.86 0.00 -0.45 -2.15 103.07 105.54 1ndf h GLY 481 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1ndf h GLY 481 CO 0.03 0.11 0.30 1.98 0.00 0.00 0.00 176.54 178.96 1ndf h MET 482 N 0.20 1.00 -0.02 4.80 1.85 -0.37 -2.79 114.93 119.60 1ndf h MET 482 Ca 0.04 -0.15 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1ndf h MET 482 Cb 0.28 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.13 1ndf h MET 482 CO 0.01 0.80 -0.23 0.41 -0.40 0.00 0.00 176.91 177.50 1ndf n GLY 483 N -1.03 0.21 3.58 1.39 0.00 -1.06 -4.87 105.19 103.41 1ndf n GLY 483 Ca 0.06 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 1ndf n GLY 483 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ndf s ASP 484 N -2.27 6.57 0.00 1.61 -1.08 -0.83 -4.91 116.67 115.75 1ndf s ASP 484 Ca 0.25 0.31 0.12 0.00 -0.52 0.00 0.00 52.55 52.71 1ndf s ASP 484 Cb 0.19 -2.45 0.58 0.00 -1.46 0.00 0.00 42.92 39.78 1ndf s ASP 484 CO 0.45 -0.96 1.30 -1.54 0.52 0.00 0.00 175.17 174.94 1ndf n SER 485 N 6.98 0.00 -0.21 -0.34 3.41 -1.26 -1.52 113.62 120.68 1ndf n SER 485 Ca 0.06 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 58.97 1ndf n SER 485 Cb 0.48 -0.32 0.28 0.00 -0.26 0.00 0.00 64.21 64.39 1ndf n SER 485 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ndf n THR 486 N -1.32 0.00 -3.58 6.66 -2.24 -1.26 -4.79 114.28 107.75 1ndf n THR 486 Ca 0.05 -0.11 -0.39 0.00 -2.27 0.00 0.00 64.05 61.33 1ndf n THR 486 Cb 0.10 0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 68.73 1ndf n THR 486 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ndf s VAL 487 N -2.63 5.04 0.62 2.28 1.01 -0.58 -5.07 120.40 121.07 1ndf s VAL 487 Ca 0.20 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1ndf s VAL 487 Cb 0.19 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1ndf s VAL 487 CO 0.58 0.06 1.26 -2.84 0.00 0.00 0.00 175.10 174.16 1ndf s PRO 488 N 1.69 2.75 0.43 2.72 0.02 -1.26 -4.73 135.00 136.62 1ndf s PRO 488 Ca 0.06 1.96 0.14 0.00 0.02 0.00 0.00 61.00 63.18 1ndf s PRO 488 Cb -0.17 -1.89 1.03 0.00 0.02 0.00 0.00 34.50 33.49 1ndf s PRO 488 CO 0.09 -1.41 1.95 0.93 -0.33 0.00 0.00 177.00 178.23 1ndf h GLU 489 N 0.72 0.41 -0.18 5.54 5.08 -1.97 0.18 114.58 124.36 1ndf h GLU 489 Ca -0.51 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 57.87 1ndf h GLU 489 Cb 1.32 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1ndf h GLU 489 CO 0.54 0.27 0.13 1.96 -1.00 0.00 0.00 179.01 180.91 1ndf h GLN 490 N 0.42 0.07 0.12 2.33 7.50 -1.98 -1.56 115.11 122.02 1ndf h GLN 490 Ca 0.32 -0.00 -0.35 0.00 0.50 0.00 0.00 58.65 59.11 1ndf h GLN 490 Cb 0.67 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.17 1ndf h GLN 490 CO -0.10 0.05 -1.91 0.37 -1.50 0.00 0.00 178.83 175.74 1ndf h GLN 491 N 0.07 0.26 -0.46 1.46 5.75 -1.06 -3.34 115.11 117.79 1ndf h GLN 491 Ca 0.08 -0.44 0.08 0.00 -0.15 0.00 0.00 58.65 58.23 1ndf h GLN 491 Cb 0.24 0.16 -0.07 0.00 1.07 0.00 0.00 27.48 28.88 1ndf h GLN 491 CO -0.01 1.15 0.04 0.87 -2.65 0.00 0.00 178.83 178.23 1ndf h LYS 492 N 0.07 0.15 -0.76 1.69 1.57 -0.63 -1.77 116.57 116.89 1ndf h LYS 492 Ca -0.39 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1ndf h LYS 492 Cb 2.04 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 34.28 1ndf h LYS 492 CO 0.10 0.10 0.50 0.28 -0.57 0.00 0.00 179.45 179.86 1ndf h VAL 493 N 0.15 1.18 -0.57 0.50 2.07 -1.47 0.15 116.25 118.27 1ndf h VAL 493 Ca 0.23 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.34 1ndf h VAL 493 Cb 0.33 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1ndf h VAL 493 CO -0.36 0.18 0.09 -0.33 0.02 0.00 0.00 177.57 177.18 1ndf h GLU 494 N 1.00 0.94 -0.44 1.57 5.08 -1.48 -0.08 114.58 121.18 1ndf h GLU 494 Ca 0.28 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1ndf h GLU 494 Cb -0.09 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1ndf h GLU 494 CO -0.07 0.90 0.06 -0.07 -1.00 0.00 0.00 179.01 178.84 1ndf h LEU 495 N 0.83 0.64 0.00 1.33 3.38 -0.53 -0.70 115.31 120.26 1ndf h LEU 495 Ca 0.17 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ndf h LEU 495 Cb 0.42 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ndf h LEU 495 CO 0.01 0.67 -0.00 0.25 0.09 0.00 0.00 178.44 179.46 1ndf h LEU 496 N 0.66 -0.00 -0.90 1.67 6.46 -0.46 -1.58 115.31 121.15 1ndf h LEU 496 Ca 0.14 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1ndf h LEU 496 Cb 0.32 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 1ndf h LEU 496 CO 0.01 0.25 0.57 0.03 -0.62 0.00 0.00 178.44 178.68 1ndf h ARG 497 N -0.25 1.20 -0.44 1.25 3.08 -0.74 -1.55 114.38 116.94 1ndf h ARG 497 Ca -0.00 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1ndf h ARG 497 Cb 0.25 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1ndf h ARG 497 CO 0.00 0.82 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.44 1ndf h LYS 498 N 1.23 0.75 -0.46 0.04 3.64 -1.06 -1.31 116.57 119.40 1ndf h LYS 498 Ca 0.33 -0.22 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 1ndf h LYS 498 Cb -0.10 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1ndf h LYS 498 CO -0.07 0.80 -0.11 0.00 -2.27 0.00 0.00 179.45 177.80 1ndf h ALA 499 N 1.24 0.63 -0.36 5.00 0.00 -0.74 -1.52 119.26 123.51 1ndf h ALA 499 Ca 0.13 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1ndf h ALA 499 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ndf h ALA 499 CO 0.03 0.53 -0.12 0.28 0.00 0.00 0.00 179.25 179.96 1ndf h VAL 500 N 0.72 1.28 -0.47 0.00 2.07 -1.11 -2.01 116.25 116.73 1ndf h VAL 500 Ca 0.12 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1ndf h VAL 500 Cb 0.66 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1ndf h VAL 500 CO 0.05 0.40 0.07 1.56 0.02 0.00 0.00 177.57 179.67 1ndf h GLN 501 N 0.52 0.72 -0.61 1.57 1.08 -1.20 -0.63 115.11 116.56 1ndf h GLN 501 Ca 0.09 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1ndf h GLN 501 Cb 0.65 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1ndf h GLN 501 CO 0.04 0.69 0.15 0.00 -0.95 0.00 0.00 178.83 178.76 1ndf h ALA 502 N 1.38 0.80 -0.55 3.87 0.00 -1.11 -0.05 119.26 123.59 1ndf h ALA 502 Ca 0.15 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1ndf h ALA 502 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1ndf h ALA 502 CO 0.01 0.51 -0.07 1.25 0.00 0.00 0.00 179.25 180.94 1ndf h HIS 503 N 0.88 1.14 -0.64 0.00 -0.00 -0.96 -0.68 115.15 114.89 1ndf h HIS 503 Ca 0.19 -0.22 -0.04 0.00 -0.00 0.00 0.00 60.37 60.29 1ndf h HIS 503 Cb 0.35 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1ndf h HIS 503 CO 0.03 1.04 0.23 -0.09 -0.00 0.00 0.00 177.93 179.14 1ndf h ARG 504 N 0.91 0.96 -0.27 5.26 2.43 -0.87 0.07 114.38 122.87 1ndf h ARG 504 Ca 0.15 -0.17 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1ndf h ARG 504 Cb 0.64 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1ndf h ARG 504 CO 0.04 0.80 -0.01 0.00 -1.51 0.00 0.00 179.97 179.29 1ndf h ALA 505 N 1.32 0.36 -0.58 2.80 0.00 -0.61 -0.86 119.26 121.69 1ndf h ALA 505 Ca 0.21 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ndf h ALA 505 Cb 0.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ndf h ALA 505 CO -0.01 0.12 0.37 -0.92 0.00 0.00 0.00 179.25 178.80 1ndf h TYR 506 N 0.25 0.70 -0.29 0.00 -0.00 -0.84 -1.23 116.97 115.56 1ndf h TYR 506 Ca 0.07 0.02 0.03 0.00 -0.00 0.00 0.00 58.73 58.85 1ndf h TYR 506 Cb 0.45 -0.23 -0.03 0.00 -0.00 0.00 0.00 36.73 36.92 1ndf h TYR 506 CO 0.04 0.43 0.12 1.15 -0.00 0.00 0.00 178.16 179.89 1ndf h THR 507 N 0.75 0.95 -0.52 1.81 2.02 -0.78 0.40 112.91 117.54 1ndf h THR 507 Ca 0.22 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1ndf h THR 507 Cb -0.05 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1ndf h THR 507 CO -0.07 0.05 0.23 0.44 0.37 0.00 0.00 175.52 176.54 1ndf h ASP 508 N 0.26 0.66 -0.28 4.18 3.32 -0.72 -1.88 116.42 121.95 1ndf h ASP 508 Ca 0.12 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.93 1ndf h ASP 508 Cb 0.07 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1ndf h ASP 508 CO -0.11 0.58 -0.50 0.03 -1.72 0.00 0.00 179.24 177.52 1ndf h ARG 509 N 0.73 0.84 -0.43 3.56 3.08 -0.62 -3.06 114.38 118.48 1ndf h ARG 509 Ca 0.18 -0.53 0.01 0.00 0.07 0.00 0.00 59.98 59.71 1ndf h ARG 509 Cb 0.11 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1ndf h ARG 509 CO -0.02 1.16 0.28 0.00 -1.07 0.00 0.00 179.97 180.32 1ndf h ALA 510 N 0.68 0.55 0.00 0.04 0.00 -0.43 0.99 119.26 121.08 1ndf h ALA 510 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ndf h ALA 510 Cb 1.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ndf h ALA 510 CO 0.11 -0.01 -0.01 0.82 0.00 0.00 0.00 179.25 180.17 1ndf h ILE 511 N 0.58 0.03 -0.53 0.00 2.04 -1.41 -2.47 117.51 115.75 1ndf h ILE 511 Ca 0.16 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1ndf h ILE 511 Cb -0.06 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1ndf h ILE 511 CO -0.04 0.01 0.00 0.54 0.00 0.00 0.00 178.15 178.66 1ndf n ARG 512 N -3.11 4.41 -1.44 2.37 1.74 -0.72 -4.67 116.66 115.24 1ndf n ARG 512 Ca -0.01 -3.07 -0.08 0.00 -0.77 0.00 0.00 57.85 53.92 1ndf n ARG 512 Cb 0.22 -2.14 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 1ndf n ARG 512 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndf n GLY 513 N 0.50 0.77 0.78 -0.13 0.00 -0.93 -4.93 105.19 101.25 1ndf n GLY 513 Ca 0.26 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.69 1ndf n GLY 513 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ndf n GLU 514 N -2.54 2.69 -1.69 1.61 1.02 0.26 -4.58 120.64 117.42 1ndf n GLU 514 Ca -0.08 -2.12 -0.30 0.00 -0.02 0.00 0.00 57.16 54.64 1ndf n GLU 514 Cb 0.33 -1.33 0.20 0.00 -0.02 0.00 0.00 31.44 30.62 1ndf n GLU 514 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ndf s ALA 515 N -1.01 1.77 0.00 0.62 0.00 -1.24 -4.76 121.76 117.13 1ndf s ALA 515 Ca 0.28 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1ndf s ALA 515 Cb 0.15 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.46 1ndf s ALA 515 CO 0.19 -2.76 0.00 1.97 0.00 0.00 0.00 175.76 175.17 1ndf n PHE 516 N -4.05 0.00 -0.05 0.00 1.16 -1.26 -4.75 117.46 108.51 1ndf n PHE 516 Ca 0.14 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.63 1ndf n PHE 516 Cb 0.59 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.44 1ndf n PHE 516 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 1ndf h ASP 517 N 0.00 0.26 0.15 5.98 5.19 -1.96 0.44 116.42 126.48 1ndf h ASP 517 Ca 0.00 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 1ndf h ASP 517 Cb 0.00 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1ndf h ASP 517 CO 0.00 0.19 -0.36 0.03 -3.12 0.00 0.00 179.24 175.98 1ndf h ARG 518 N 0.31 0.30 -0.03 3.56 2.47 -1.92 -1.92 114.38 117.15 1ndf h ARG 518 Ca 0.08 -0.13 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1ndf h ARG 518 Cb -0.03 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 1ndf h ARG 518 CO -0.02 0.62 0.02 1.25 0.56 0.00 0.00 179.97 182.40 1ndf h HIS 519 N 0.26 0.04 -0.84 3.04 2.76 -1.72 0.19 115.15 118.88 1ndf h HIS 519 Ca 0.03 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1ndf h HIS 519 Cb 0.76 -0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.67 1ndf h HIS 519 CO 0.02 0.10 0.43 -0.07 -1.30 0.00 0.00 177.93 177.11 1ndf h LEU 520 N -0.03 1.07 -0.41 0.26 3.38 -0.79 -0.12 115.31 118.67 1ndf h LEU 520 Ca 0.01 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1ndf h LEU 520 Cb 0.07 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1ndf h LEU 520 CO -0.00 0.88 0.23 0.25 0.09 0.00 0.00 178.44 179.89 1ndf h LEU 521 N 1.18 0.35 -0.62 1.67 5.85 -0.98 -1.38 115.31 121.38 1ndf h LEU 521 Ca 0.29 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.06 1ndf h LEU 521 Cb 0.07 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1ndf h LEU 521 CO -0.04 0.25 0.37 1.23 -0.34 0.00 0.00 178.44 179.91 1ndf h GLY 522 N 0.46 0.89 1.11 3.75 0.00 0.24 -0.53 103.07 108.98 1ndf h GLY 522 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1ndf h GLY 522 CO -0.10 0.22 0.57 1.41 0.00 0.00 0.00 176.54 178.63 1ndf h LEU 523 N 0.72 1.04 -0.34 3.11 3.38 -0.53 0.13 115.31 122.82 1ndf h LEU 523 Ca 0.26 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1ndf h LEU 523 Cb 0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1ndf h LEU 523 CO -0.12 0.78 -0.05 0.50 0.09 0.00 0.00 178.44 179.64 1ndf h LYS 524 N 1.22 0.64 -0.16 1.13 3.64 -0.52 -1.74 116.57 120.78 1ndf h LYS 524 Ca 0.32 -0.23 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1ndf h LYS 524 Cb -0.10 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1ndf h LYS 524 CO -0.07 0.79 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.52 1ndf h LEU 525 N 0.43 0.31 -0.61 5.20 3.38 -0.71 -1.94 115.31 121.37 1ndf h LEU 525 Ca 0.09 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1ndf h LEU 525 Cb 0.53 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1ndf h LEU 525 CO 0.03 0.62 0.02 -0.61 0.09 0.00 0.00 178.44 178.59 1ndf h GLN 526 N 0.27 1.05 -0.27 1.13 5.75 -0.62 -0.75 115.11 121.67 1ndf h GLN 526 Ca 0.04 -0.32 -0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1ndf h GLN 526 Cb 0.69 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1ndf h GLN 526 CO 0.05 1.02 0.16 0.00 -2.65 0.00 0.00 178.83 177.42 1ndf h ALA 527 N 0.99 0.35 -0.69 3.38 0.00 -0.89 0.40 119.26 122.81 1ndf h ALA 527 Ca 0.17 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ndf h ALA 527 Cb 0.53 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1ndf h ALA 527 CO 0.03 -0.15 0.42 0.82 0.00 0.00 0.00 179.25 180.36 1ndf h ILE 528 N 0.34 1.06 -0.32 0.00 2.04 -1.10 -2.15 117.51 117.39 1ndf h ILE 528 Ca 0.10 -0.28 -0.13 0.00 1.00 0.00 0.00 64.86 65.55 1ndf h ILE 528 Cb 0.01 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1ndf h ILE 528 CO -0.02 0.15 -0.34 -0.08 0.00 0.00 0.00 178.15 177.86 1ndf h GLU 529 N 0.81 0.70 0.00 2.37 4.81 -0.54 -2.78 114.58 119.95 1ndf h GLU 529 Ca 0.28 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ndf h GLU 529 Cb 0.06 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1ndf h GLU 529 CO -0.13 0.94 0.00 -0.25 -0.73 0.00 0.00 179.01 178.84 1ndf n ASP 530 N -4.06 0.00 -3.09 1.04 8.00 0.14 -4.88 116.55 113.69 1ndf n ASP 530 Ca -0.01 -0.05 -0.21 0.00 0.71 0.00 0.00 54.79 55.23 1ndf n ASP 530 Cb 0.49 -0.27 0.06 0.00 -0.02 0.00 0.00 41.12 41.39 1ndf n ASP 530 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1ndf n LEU 531 N -1.27 -3.08 -4.61 0.64 4.77 -0.86 -5.01 117.00 107.59 1ndf n LEU 531 Ca 0.10 -0.42 -0.29 0.00 -0.03 0.00 0.00 56.01 55.37 1ndf n LEU 531 Cb 0.16 -2.73 -0.09 0.00 -2.33 0.00 0.00 43.42 38.43 1ndf n LEU 531 CO 0.15 0.49 -0.39 0.68 -1.33 0.00 0.00 177.39 176.99 1ndf s VAL 532 N -3.24 3.50 0.23 4.08 -7.23 -1.02 -5.07 120.40 111.66 1ndf s VAL 532 Ca 0.46 -1.32 -0.31 0.00 -1.81 0.00 0.00 61.98 59.00 1ndf s VAL 532 Cb -0.20 -2.68 -0.14 0.00 0.56 0.00 0.00 36.38 33.91 1ndf s VAL 532 CO 0.57 0.03 1.21 -0.24 -0.31 0.00 0.00 175.10 176.36 1ndf n SER 533 N 0.41 1.86 -4.61 4.85 2.88 -1.26 -4.61 113.62 113.15 1ndf n SER 533 Ca -0.12 1.16 -0.51 0.00 -1.33 0.00 0.00 58.87 58.07 1ndf n SER 533 Cb 0.53 -1.32 -0.06 0.00 -0.75 0.00 0.00 64.21 62.62 1ndf n SER 533 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1ndf n MET 534 N 1.51 1.59 -1.62 -1.46 1.56 -1.26 -4.87 117.12 112.57 1ndf n MET 534 Ca 0.12 0.54 -0.44 0.00 -0.27 0.00 0.00 57.70 57.64 1ndf n MET 534 Cb 0.29 -2.51 -0.02 0.00 2.15 0.00 0.00 33.22 33.14 1ndf n MET 534 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1ndf n PRO 535 N 7.05 1.60 -0.09 2.12 -0.02 -1.26 -4.86 135.00 139.54 1ndf n PRO 535 Ca 0.30 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.47 1ndf n PRO 535 Cb 0.25 -2.02 0.51 0.00 -0.02 0.00 0.00 33.50 32.22 1ndf n PRO 535 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ndf h ASP 536 N 2.41 0.35 -0.39 2.55 3.32 -1.98 -1.43 116.42 121.25 1ndf h ASP 536 Ca -0.42 0.01 0.11 0.00 0.02 0.00 0.00 57.03 56.75 1ndf h ASP 536 Cb 1.32 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1ndf h ASP 536 CO 0.63 0.21 0.31 -0.29 -1.72 0.00 0.00 179.24 178.38 1ndf h ILE 537 N 0.39 0.66 0.00 0.35 2.10 -1.90 0.08 117.51 119.19 1ndf h ILE 537 Ca 0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.22 1ndf h ILE 537 Cb 0.60 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.10 1ndf h ILE 537 CO -0.08 0.00 -0.87 0.49 -1.08 0.00 0.00 178.15 176.61 1ndf n PHE 538 N -4.20 0.56 1.04 2.19 0.99 -0.54 -3.62 117.46 113.88 1ndf n PHE 538 Ca 0.06 0.16 0.12 0.00 -0.00 0.00 0.00 57.45 57.79 1ndf n PHE 538 Cb 0.50 -0.66 0.17 0.00 -1.00 0.00 0.00 39.48 38.49 1ndf n PHE 538 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1ndf n MET 539 N -2.21 0.19 -1.81 -1.08 2.81 -0.14 -4.78 117.12 110.10 1ndf n MET 539 Ca 0.02 -0.13 -0.40 0.00 -1.81 0.00 0.00 57.70 55.38 1ndf n MET 539 Cb 0.47 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.49 1ndf n MET 539 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1ndf s ASP 540 N -2.90 5.96 0.24 7.83 3.68 -0.29 -4.93 116.67 126.26 1ndf s ASP 540 Ca 0.13 2.93 -0.06 0.00 2.13 0.00 0.00 52.55 57.67 1ndf s ASP 540 Cb 0.17 -2.66 0.24 0.00 -1.45 0.00 0.00 42.92 39.23 1ndf s ASP 540 CO 0.70 -1.12 1.91 0.74 0.13 0.00 0.00 175.17 177.53 1ndf h THR 541 N 2.40 1.26 -0.80 1.71 2.02 -1.91 -2.47 112.91 115.12 1ndf h THR 541 Ca -0.51 -0.51 0.04 0.00 0.77 0.00 0.00 66.41 66.20 1ndf h THR 541 Cb 1.26 -0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1ndf h THR 541 CO 0.62 0.26 0.50 0.28 0.37 0.00 0.00 175.52 177.55 1ndf h SER 542 N 1.34 0.82 -0.70 4.18 0.02 -1.91 -0.68 113.55 116.61 1ndf h SER 542 Ca 0.35 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.24 1ndf h SER 542 Cb -0.11 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 1ndf h SER 542 CO -0.07 0.55 0.20 0.22 -1.14 0.00 0.00 176.83 176.59 1ndf h TYR 543 N 0.96 1.16 -0.31 3.45 -0.00 -1.70 0.15 116.97 120.68 1ndf h TYR 543 Ca 0.33 -0.12 0.00 0.00 -0.00 0.00 0.00 58.73 58.93 1ndf h TYR 543 Cb 0.05 -0.33 -0.02 0.00 -0.00 0.00 0.00 36.73 36.43 1ndf h TYR 543 CO -0.03 0.93 0.20 0.00 -0.00 0.00 0.00 178.16 179.25 1ndf h ALA 544 N 1.15 0.40 -0.48 1.82 0.00 -1.05 -0.91 119.26 120.19 1ndf h ALA 544 Ca 0.23 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ndf h ALA 544 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1ndf h ALA 544 CO -0.00 -0.12 0.22 0.82 0.00 0.00 0.00 179.25 180.16 1ndf h ILE 545 N 0.41 1.20 -0.43 0.00 2.04 -0.78 -2.85 117.51 117.10 1ndf h ILE 545 Ca 0.11 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1ndf h ILE 545 Cb -0.02 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1ndf h ILE 545 CO -0.02 0.22 0.29 0.00 0.00 0.00 0.00 178.15 178.63 1ndf h ALA 546 N 1.06 1.81 -0.14 1.87 0.00 -0.15 -2.65 119.26 121.06 1ndf h ALA 546 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ndf h ALA 546 Cb 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ndf h ALA 546 CO -0.02 0.14 0.00 -1.33 0.00 0.00 0.00 179.25 178.04 1ndf n MET 547 N -4.48 2.04 -3.33 0.00 2.81 -0.40 -4.69 117.12 109.08 1ndf n MET 547 Ca 0.04 -1.54 -0.47 0.00 -1.81 0.00 0.00 57.70 53.92 1ndf n MET 547 Cb 0.14 -1.46 -0.02 0.00 -0.71 0.00 0.00 33.22 31.17 1ndf n MET 547 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1ndf s HIS 548 N -1.84 3.69 -0.98 2.03 5.04 -1.00 -5.02 115.29 117.22 1ndf s HIS 548 Ca 0.34 -1.90 -0.22 0.00 -1.54 0.00 0.00 55.06 51.74 1ndf s HIS 548 Cb 0.20 -3.81 0.07 0.00 0.04 0.00 0.00 32.58 29.08 1ndf s HIS 548 CO 0.30 -0.99 1.36 -0.06 -2.34 0.00 0.00 174.74 173.00 1ndf s PHE 549 N 0.36 2.67 0.57 3.88 0.08 -1.26 -4.43 117.98 119.84 1ndf s PHE 549 Ca 0.16 -0.94 0.38 0.00 0.12 0.00 0.00 56.93 56.64 1ndf s PHE 549 Cb -0.13 -4.59 2.07 0.00 -0.57 0.00 0.00 43.02 39.80 1ndf s PHE 549 CO -0.07 -1.83 2.28 -0.91 -0.10 0.00 0.00 175.22 174.59 1ndf h ASN 550 N 9.56 0.00 -3.38 1.36 2.35 -1.83 -3.36 115.58 120.29 1ndf h ASN 550 Ca 0.16 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.32 1ndf h ASN 550 Cb 1.02 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 39.01 1ndf h ASN 550 CO 1.34 0.01 -0.80 -0.76 -1.65 0.00 0.00 177.43 175.57 1ndf s LEU 551 N -6.70 2.04 -0.21 1.61 1.43 -1.21 0.14 118.68 115.77 1ndf s LEU 551 Ca -0.04 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.25 1ndf s LEU 551 Cb 0.13 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 45.25 1ndf s LEU 551 CO 0.48 -0.16 -0.13 -0.55 0.23 0.00 0.00 176.35 176.22 1ndf s SER 552 N 1.48 3.75 0.21 2.29 0.15 -0.62 -0.84 113.70 120.13 1ndf s SER 552 Ca -0.00 -0.72 0.01 0.00 0.70 0.00 0.00 55.95 55.94 1ndf s SER 552 Cb -0.16 -1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.53 1ndf s SER 552 CO -0.08 -0.05 0.07 0.42 1.20 0.00 0.00 173.24 174.80 1ndf s THR 553 N 1.32 0.47 -0.15 6.45 -4.23 0.66 -1.04 115.64 119.13 1ndf s THR 553 Ca 0.03 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.26 1ndf s THR 553 Cb -0.15 -2.42 0.11 0.00 1.34 0.00 0.00 72.50 71.39 1ndf s THR 553 CO -0.08 -0.18 0.90 -0.94 -0.54 0.00 0.00 174.62 173.78 1ndf s SER 554 N -3.23 -0.48 -0.20 3.99 1.04 -0.97 -1.99 113.70 111.87 1ndf s SER 554 Ca 0.33 0.59 -0.05 0.00 0.48 0.00 0.00 55.95 57.30 1ndf s SER 554 Cb 0.07 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1ndf s SER 554 CO 0.10 -0.39 0.01 -1.58 0.98 0.00 0.00 173.24 172.36 1ndf s GLN 555 N -0.91 3.67 -0.60 4.02 0.74 -1.26 -2.50 119.66 122.81 1ndf s GLN 555 Ca -0.04 -0.49 0.04 0.00 0.05 0.00 0.00 55.36 54.92 1ndf s GLN 555 Cb -0.01 -3.11 0.16 0.00 1.10 0.00 0.00 33.01 31.15 1ndf s GLN 555 CO 0.03 0.04 0.41 0.08 -0.55 0.00 0.00 175.29 175.30 1ndf s VAL 556 N 0.94 2.25 0.41 1.34 1.01 -0.25 -4.97 120.40 121.14 1ndf s VAL 556 Ca 0.02 -3.70 -0.26 0.00 0.00 0.00 0.00 61.98 58.04 1ndf s VAL 556 Cb -0.14 -2.50 -0.09 0.00 0.00 0.00 0.00 36.38 33.65 1ndf s VAL 556 CO 0.02 -1.01 1.33 -2.84 0.00 0.00 0.00 175.10 172.60 1ndf s PRO 557 N -0.86 3.94 -0.12 2.72 0.02 -1.26 -4.44 135.00 135.00 1ndf s PRO 557 Ca 0.25 2.21 -0.19 0.00 0.02 0.00 0.00 61.00 63.29 1ndf s PRO 557 Cb -0.08 -2.76 0.04 0.00 0.02 0.00 0.00 34.50 31.73 1ndf s PRO 557 CO -0.13 -0.54 0.47 0.00 -0.33 0.00 0.00 177.00 176.47 1ndf s ALA 558 N -1.24 -1.19 0.35 -1.55 0.00 -1.26 -4.96 121.76 111.90 1ndf s ALA 558 Ca 0.57 1.10 0.13 0.00 0.00 0.00 0.00 51.96 53.77 1ndf s ALA 558 Cb -0.39 -0.45 0.70 0.00 0.00 0.00 0.00 23.12 22.97 1ndf s ALA 558 CO 0.51 -0.26 1.80 0.87 0.00 0.00 0.00 175.76 178.68 1ndf h LYS 559 N 4.61 0.00 -6.64 0.00 1.57 -1.96 -3.42 116.57 110.72 1ndf h LYS 559 Ca -0.28 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.99 1ndf h LYS 559 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1ndf h LYS 559 CO 0.28 0.40 0.44 0.99 -0.57 0.00 0.00 179.45 180.99 1ndf s THR 560 N -4.07 4.03 -1.02 -0.16 2.01 -1.26 -4.91 115.64 110.25 1ndf s THR 560 Ca -0.02 1.75 -0.18 0.00 0.31 0.00 0.00 61.69 63.55 1ndf s THR 560 Cb 0.14 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 1ndf s THR 560 CO 0.72 0.30 2.08 -0.67 -0.69 0.00 0.00 174.62 176.36 1ndf n ASP 561 N 2.39 3.39 -4.81 3.53 2.03 -1.26 -4.84 116.55 116.98 1ndf n ASP 561 Ca 0.02 -2.69 -0.32 0.00 0.52 0.00 0.00 54.79 52.32 1ndf n ASP 561 Cb 0.47 -1.29 -0.06 0.00 -0.72 0.00 0.00 41.12 39.52 1ndf n ASP 561 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ndf s VAL 563 N -2.87 0.01 0.32 0.00 0.11 -1.06 -4.67 120.40 112.23 1ndf s VAL 563 Ca 0.10 -0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.18 1ndf s VAL 563 Cb -0.00 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1ndf s VAL 563 CO 0.06 -0.03 0.08 -0.04 -3.33 0.00 0.00 175.10 171.84 1ndf s MET 564 N -0.12 2.33 0.10 1.54 -1.94 -1.26 -1.35 119.30 118.60 1ndf s MET 564 Ca -0.03 -1.52 -0.20 0.00 -1.71 0.00 0.00 55.69 52.22 1ndf s MET 564 Cb -0.03 -2.15 0.05 0.00 2.01 0.00 0.00 34.83 34.71 1ndf s MET 564 CO 0.03 0.20 0.50 -0.59 -0.01 0.00 0.00 175.02 175.14 1ndf s PHE 565 N -2.40 -0.37 0.18 -0.03 -0.12 -0.57 -4.54 117.98 110.12 1ndf s PHE 565 Ca 0.35 0.24 -0.22 0.00 -0.05 0.00 0.00 56.93 57.25 1ndf s PHE 565 Cb -0.03 0.36 0.06 0.00 -0.63 0.00 0.00 43.02 42.77 1ndf s PHE 565 CO 0.21 -0.71 0.59 -0.59 -0.05 0.00 0.00 175.22 174.68 1ndf s PHE 566 N -3.21 -0.42 0.65 3.49 -0.12 -1.26 -1.00 117.98 116.11 1ndf s PHE 566 Ca -0.01 0.15 -0.13 0.00 -0.05 0.00 0.00 56.93 56.89 1ndf s PHE 566 Cb 0.00 0.54 -0.01 0.00 -0.63 0.00 0.00 43.02 42.92 1ndf s PHE 566 CO -0.08 -0.90 1.05 0.20 -0.05 0.00 0.00 175.22 175.44 1ndf s GLY 567 N -2.79 1.83 0.86 1.99 0.00 -0.23 -4.46 107.32 104.52 1ndf s GLY 567 Ca 0.03 0.18 -0.11 0.00 0.00 0.00 0.00 44.72 44.83 1ndf s GLY 567 CO -0.09 0.49 1.14 -4.14 0.00 0.00 0.00 173.10 170.50 1ndf s PRO 568 N -4.71 1.43 0.00 2.90 0.02 -1.26 -4.62 135.00 128.77 1ndf s PRO 568 Ca 0.60 1.50 0.24 0.00 0.02 0.00 0.00 61.00 63.36 1ndf s PRO 568 Cb -0.14 -1.78 0.35 0.00 0.02 0.00 0.00 34.50 32.95 1ndf s PRO 568 CO 0.48 -2.31 1.31 1.33 -0.33 0.00 0.00 177.00 177.48 1ndf n VAL 569 N -3.88 0.00 -4.16 3.83 0.24 -1.26 -4.91 118.33 108.20 1ndf n VAL 569 Ca 0.11 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.34 62.22 1ndf n VAL 569 Cb 0.52 0.58 -0.11 0.00 -1.47 0.00 0.00 33.84 33.37 1ndf n VAL 569 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1ndf s VAL 570 N -2.79 0.77 0.24 3.34 -7.23 -1.26 -4.97 120.40 108.50 1ndf s VAL 570 Ca 0.15 -1.69 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1ndf s VAL 570 Cb 0.18 -1.38 0.21 0.00 0.56 0.00 0.00 36.38 35.94 1ndf s VAL 570 CO 0.67 -0.67 1.78 -0.65 -0.31 0.00 0.00 175.10 175.91 1ndf h PRO 571 N 3.44 0.62 -1.01 4.82 0.11 -1.97 -2.49 132.00 135.52 1ndf h PRO 571 Ca -0.36 -0.04 -0.63 0.00 0.11 0.00 0.00 66.00 65.08 1ndf h PRO 571 Cb 1.18 -0.14 -0.29 0.00 0.11 0.00 0.00 31.00 31.86 1ndf h PRO 571 CO 0.56 0.41 0.81 -0.40 -0.21 0.00 0.00 178.00 179.17 1ndf n ASP 572 N -4.85 6.60 -3.54 -2.05 5.75 -1.26 -4.51 116.55 112.69 1ndf n ASP 572 Ca 0.14 -3.72 -0.21 0.00 -0.01 0.00 0.00 54.79 50.98 1ndf n ASP 572 Cb 0.33 -0.94 -0.06 0.00 -1.03 0.00 0.00 41.12 39.42 1ndf n ASP 572 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ndf n GLY 573 N -0.96 3.43 3.32 6.12 0.00 -0.94 -4.82 105.19 111.35 1ndf n GLY 573 Ca 0.61 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 1ndf n GLY 573 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ndf s TYR 574 N -2.76 1.94 -0.25 1.61 1.51 0.12 -4.32 117.35 115.20 1ndf s TYR 574 Ca 0.15 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 1ndf s TYR 574 Cb 0.01 -1.03 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 1ndf s TYR 574 CO 0.10 0.27 -0.05 0.20 -1.11 0.00 0.00 175.55 174.97 1ndf s GLY 575 N -2.12 1.64 -0.09 0.71 0.00 -0.71 -1.58 107.32 105.16 1ndf s GLY 575 Ca 0.10 -1.45 0.03 0.00 0.00 0.00 0.00 44.72 43.40 1ndf s GLY 575 CO 0.05 0.53 -0.16 -0.42 0.00 0.00 0.00 173.10 173.10 1ndf s ILE 576 N 1.35 1.52 0.05 0.90 1.01 -0.20 -1.14 121.20 124.68 1ndf s ILE 576 Ca 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1ndf s ILE 576 Cb -0.17 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1ndf s ILE 576 CO -0.04 0.44 -0.10 0.00 0.00 0.00 0.00 174.94 175.25 1ndf s TYR 578 N -1.26 -0.27 -0.33 0.00 1.13 -1.04 -1.16 117.35 114.41 1ndf s TYR 578 Ca -0.07 0.24 0.01 0.00 -1.41 0.00 0.00 57.07 55.84 1ndf s TYR 578 Cb -0.09 0.23 0.10 0.00 -1.10 0.00 0.00 41.96 41.09 1ndf s TYR 578 CO 0.01 -0.58 0.09 1.21 -2.51 0.00 0.00 175.55 173.77 1ndf s ASN 579 N -2.01 4.27 -0.15 -0.18 2.47 -0.30 -1.09 114.94 117.96 1ndf s ASN 579 Ca -0.05 -1.88 -0.29 0.00 0.42 0.00 0.00 52.86 51.06 1ndf s ASN 579 Cb -0.01 -1.14 -0.02 0.00 -1.45 0.00 0.00 41.25 38.63 1ndf s ASN 579 CO -0.02 -0.39 1.29 -2.84 -3.72 0.00 0.00 177.10 171.41 1ndf s PRO 580 N 1.29 4.24 0.57 0.43 0.02 -1.26 -2.12 135.00 138.17 1ndf s PRO 580 Ca 0.11 1.70 0.09 0.00 0.02 0.00 0.00 61.00 62.92 1ndf s PRO 580 Cb -0.18 -3.76 0.09 0.00 0.02 0.00 0.00 34.50 30.67 1ndf s PRO 580 CO -0.18 -0.69 0.77 -1.33 -0.33 0.00 0.00 177.00 175.24 1ndf n MET 581 N 6.51 0.61 -0.08 5.54 2.81 0.96 -4.82 117.12 128.65 1ndf n MET 581 Ca 0.14 -3.08 -0.10 0.00 -1.81 0.00 0.00 57.70 52.85 1ndf n MET 581 Cb 0.45 -0.21 -0.03 0.00 -0.71 0.00 0.00 33.22 32.71 1ndf n MET 581 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1ndf h GLU 582 N 0.00 0.38 -0.09 0.03 4.57 -1.95 -0.02 114.58 117.49 1ndf h GLU 582 Ca -0.27 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1ndf h GLU 582 Cb 1.23 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1ndf h GLU 582 CO 0.39 0.35 0.00 0.00 -1.18 0.00 0.00 179.01 178.57 1ndf n ALA 583 N -2.22 2.34 -3.68 2.92 0.00 -1.26 -1.28 120.51 117.33 1ndf n ALA 583 Ca -0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 53.44 52.57 1ndf n ALA 583 Cb 0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 1ndf n ALA 583 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ndf s HIS 584 N -0.76 -0.02 -0.04 0.00 -3.43 -1.24 -3.31 115.29 106.49 1ndf s HIS 584 Ca 0.11 -0.43 0.01 0.00 -0.80 0.00 0.00 55.06 53.95 1ndf s HIS 584 Cb 0.07 0.58 0.02 0.00 -1.43 0.00 0.00 32.58 31.82 1ndf s HIS 584 CO 0.10 -1.20 -0.03 0.42 -2.00 0.00 0.00 174.74 172.02 1ndf s ILE 585 N -3.82 0.43 -0.23 -5.38 1.01 -0.42 -0.03 121.20 112.75 1ndf s ILE 585 Ca 0.14 -0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.56 1ndf s ILE 585 Cb -0.05 -0.48 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 1ndf s ILE 585 CO 0.08 0.21 0.52 0.20 0.00 0.00 0.00 174.94 175.95 1ndf s ASN 586 N 1.02 6.50 0.10 3.58 0.02 -0.90 -0.49 114.94 124.77 1ndf s ASN 586 Ca -0.10 0.60 0.10 0.00 -1.02 0.00 0.00 52.86 52.45 1ndf s ASN 586 Cb -0.14 -2.29 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 1ndf s ASN 586 CO -0.01 -0.25 -0.26 -0.36 0.02 0.00 0.00 177.10 176.24 1ndf s PHE 587 N 2.03 2.28 -0.03 2.20 0.08 0.75 -1.15 117.98 124.14 1ndf s PHE 587 Ca 0.23 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.92 1ndf s PHE 587 Cb -0.15 -1.27 0.00 0.00 -0.57 0.00 0.00 43.02 41.02 1ndf s PHE 587 CO 0.09 0.27 -0.12 -1.54 -0.10 0.00 0.00 175.22 173.83 1ndf s SER 588 N -1.82 1.52 -0.08 1.36 1.04 -0.31 -0.59 113.70 114.81 1ndf s SER 588 Ca 0.13 -0.24 -0.00 0.00 0.48 0.00 0.00 55.95 56.31 1ndf s SER 588 Cb -0.10 -0.39 0.02 0.00 0.10 0.00 0.00 66.02 65.65 1ndf s SER 588 CO 0.05 0.10 -0.04 -0.69 0.98 0.00 0.00 173.24 173.64 1ndf s VAL 589 N 0.11 0.68 0.16 5.02 1.01 0.38 -2.50 120.40 125.27 1ndf s VAL 589 Ca -0.03 -0.10 0.11 0.00 0.00 0.00 0.00 61.98 61.97 1ndf s VAL 589 Cb -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1ndf s VAL 589 CO 0.01 0.30 -0.24 -0.94 0.00 0.00 0.00 175.10 174.22 1ndf s SER 590 N 1.65 3.44 0.23 3.32 1.04 -0.29 0.10 113.70 123.19 1ndf s SER 590 Ca 0.02 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.49 1ndf s SER 590 Cb -0.13 -0.27 0.01 0.00 0.10 0.00 0.00 66.02 65.73 1ndf s SER 590 CO -0.05 0.15 0.55 0.00 0.98 0.00 0.00 173.24 174.86 1ndf s ALA 591 N -1.39 -0.75 -0.17 5.32 0.00 0.82 -1.74 121.76 123.84 1ndf s ALA 591 Ca 0.18 -0.47 -0.05 0.00 0.00 0.00 0.00 51.96 51.61 1ndf s ALA 591 Cb -0.09 0.92 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 1ndf s ALA 591 CO 0.08 -0.87 0.01 0.71 0.00 0.00 0.00 175.76 175.69 1ndf s TYR 592 N -3.93 3.13 0.35 0.00 2.02 -1.26 -0.30 117.35 117.36 1ndf s TYR 592 Ca 0.14 -0.12 0.24 0.00 -0.37 0.00 0.00 57.07 56.96 1ndf s TYR 592 Cb -0.02 -2.01 1.23 0.00 -0.40 0.00 0.00 41.96 40.76 1ndf s TYR 592 CO 0.03 0.06 1.99 -0.91 -1.57 0.00 0.00 175.55 175.15 1ndf h ASN 593 N 6.66 0.00 0.20 2.29 2.35 -1.07 -2.42 115.58 123.60 1ndf h ASN 593 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 1ndf h ASN 593 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1ndf h ASN 593 CO 0.66 0.18 0.00 0.77 -1.65 0.00 0.00 177.43 177.39 1ndf h SER 594 N 0.00 0.00 -3.61 5.81 4.64 -1.92 -3.37 113.55 115.09 1ndf h SER 594 Ca -0.00 0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 60.62 1ndf h SER 594 Cb 0.46 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.30 1ndf h SER 594 CO 0.02 0.00 -0.54 0.00 -0.87 0.00 0.00 176.83 175.44 1ndf h ALA 596 N 8.37 1.47 0.00 0.00 0.00 -1.84 -3.01 119.26 124.24 1ndf h ALA 596 Ca -0.27 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ndf h ALA 596 Cb 1.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ndf h ALA 596 CO 0.64 0.38 0.00 0.39 0.00 0.00 0.00 179.25 180.66 1ndf n GLU 597 N -4.29 0.15 -4.25 0.00 4.71 -1.26 -4.75 120.64 110.96 1ndf n GLU 597 Ca 0.00 0.49 -0.30 0.00 -0.01 0.00 0.00 57.16 57.34 1ndf n GLU 597 Cb 0.25 -1.86 -0.10 0.00 -1.01 0.00 0.00 31.44 28.72 1ndf n GLU 597 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1ndf s THR 598 N -3.35 3.46 -0.25 2.62 -4.23 -1.14 -5.11 115.64 107.63 1ndf s THR 598 Ca 0.02 -1.19 -0.04 0.00 -1.18 0.00 0.00 61.69 59.30 1ndf s THR 598 Cb 0.08 -2.61 0.14 0.00 1.34 0.00 0.00 72.50 71.45 1ndf s THR 598 CO 0.30 0.14 0.48 0.21 -0.54 0.00 0.00 174.62 175.21 1ndf s ASN 599 N -2.13 -0.50 0.16 3.99 3.84 -1.26 -4.90 114.94 114.14 1ndf s ASN 599 Ca 0.21 0.78 -0.16 0.00 0.21 0.00 0.00 52.86 53.91 1ndf s ASN 599 Cb -0.11 1.61 0.09 0.00 -0.55 0.00 0.00 41.25 42.29 1ndf s ASN 599 CO 0.14 -0.26 1.74 0.00 -2.79 0.00 0.00 177.10 175.92 1ndf h ALA 600 N 8.11 0.42 -0.53 1.71 0.00 -1.89 -1.21 119.26 125.87 1ndf h ALA 600 Ca -0.19 0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1ndf h ALA 600 Cb 1.14 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1ndf h ALA 600 CO 0.21 -0.30 0.27 0.00 0.00 0.00 0.00 179.25 179.43 1ndf h ALA 601 N 1.27 0.68 -0.37 0.00 0.00 -1.92 0.02 119.26 118.94 1ndf h ALA 601 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ndf h ALA 601 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ndf h ALA 601 CO -0.21 -0.06 0.06 -0.09 0.00 0.00 0.00 179.25 178.95 1ndf h ARG 602 N 0.53 0.60 -0.91 0.00 2.43 -1.89 -1.11 114.38 114.03 1ndf h ARG 602 Ca 0.23 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1ndf h ARG 602 Cb 0.13 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1ndf h ARG 602 CO -0.16 0.66 0.54 1.98 -1.51 0.00 0.00 179.97 181.49 1ndf h MET 603 N 0.45 1.24 -0.74 0.20 4.05 -0.92 -1.42 114.93 117.80 1ndf h MET 603 Ca 0.11 -0.12 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 1ndf h MET 603 Cb 0.35 -0.26 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1ndf h MET 603 CO 0.01 0.88 0.26 0.00 0.23 0.00 0.00 176.91 178.28 1ndf h ALA 604 N 1.29 1.06 -0.15 0.39 0.00 -0.71 -1.25 119.26 119.89 1ndf h ALA 604 Ca 0.32 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ndf h ALA 604 Cb -0.03 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ndf h ALA 604 CO -0.06 0.65 0.03 0.45 0.00 0.00 0.00 179.25 180.32 1ndf h HIS 605 N 1.08 0.26 -0.24 0.00 -0.00 -0.60 -1.89 115.15 113.77 1ndf h HIS 605 Ca 0.24 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.51 1ndf h HIS 605 Cb 0.26 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 1ndf h HIS 605 CO 0.02 0.41 -0.13 1.88 -0.00 0.00 0.00 177.93 180.10 1ndf h TYR 606 N 0.05 0.44 0.04 2.45 -1.99 -1.16 -1.72 116.97 115.08 1ndf h TYR 606 Ca 0.05 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 1ndf h TYR 606 Cb 0.28 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1ndf h TYR 606 CO 0.01 0.54 -0.02 1.25 -0.00 0.00 0.00 178.16 179.94 1ndf h LEU 607 N 0.38 -0.05 -0.43 3.88 5.85 -1.08 0.33 115.31 124.19 1ndf h LEU 607 Ca 0.07 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1ndf h LEU 607 Cb 0.47 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 1ndf h LEU 607 CO 0.03 0.15 0.16 -0.08 -0.34 0.00 0.00 178.44 178.35 1ndf h GLU 608 N -0.24 0.32 -0.23 1.25 4.81 -1.13 -0.97 114.58 118.40 1ndf h GLU 608 Ca -0.01 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 1ndf h GLU 608 Cb 0.21 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1ndf h GLU 608 CO 0.01 0.21 -0.29 -0.22 -0.73 0.00 0.00 179.01 177.99 1ndf h LYS 609 N 0.33 0.45 -0.46 1.92 1.63 -1.12 -1.99 116.57 117.32 1ndf h LYS 609 Ca 0.20 -0.18 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1ndf h LYS 609 Cb 0.18 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1ndf h LYS 609 CO -0.20 0.69 0.14 0.00 -3.45 0.00 0.00 179.45 176.64 1ndf h ALA 610 N 1.30 0.61 -0.64 5.00 0.00 0.24 0.33 119.26 126.11 1ndf h ALA 610 Ca 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1ndf h ALA 610 Cb 0.71 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ndf h ALA 610 CO 0.05 0.26 0.34 -0.07 0.00 0.00 0.00 179.25 179.84 1ndf h LEU 611 N 0.61 0.80 -0.50 0.00 3.38 -0.99 -1.79 115.31 116.82 1ndf h LEU 611 Ca 0.15 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1ndf h LEU 611 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ndf h LEU 611 CO -0.00 0.67 -0.02 -0.07 0.09 0.00 0.00 178.44 179.10 1ndf h LEU 612 N 0.87 0.88 -1.03 1.67 3.38 -1.07 -2.39 115.31 117.62 1ndf h LEU 612 Ca 0.22 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 1ndf h LEU 612 Cb 0.05 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1ndf h LEU 612 CO -0.04 0.98 -0.34 0.44 0.09 0.00 0.00 178.44 179.57 1ndf h ASP 613 N 0.75 0.27 -0.17 -0.43 3.32 -0.77 -1.14 116.42 118.25 1ndf h ASP 613 Ca 0.14 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1ndf h ASP 613 Cb 0.54 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1ndf h ASP 613 CO 0.03 0.60 -0.43 0.24 -1.72 0.00 0.00 179.24 177.96 1ndf h MET 614 N 0.23 0.72 -0.22 3.56 2.86 -1.22 -1.48 114.93 119.38 1ndf h MET 614 Ca 0.03 -0.39 -0.02 0.00 -2.06 0.00 0.00 59.70 57.26 1ndf h MET 614 Cb 0.72 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1ndf h MET 614 CO 0.05 1.01 0.06 -0.09 1.06 0.00 0.00 176.91 179.00 1ndf h ARG 615 N 0.58 0.34 -0.17 1.72 2.43 -1.04 -1.92 114.38 116.32 1ndf h ARG 615 Ca 0.04 -0.08 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1ndf h ARG 615 Cb 0.98 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1ndf h ARG 615 CO 0.09 0.45 -0.06 1.15 -1.51 0.00 0.00 179.97 180.09 1ndf h THR 616 N 0.17 0.78 -0.62 0.20 2.02 -1.11 0.72 112.91 115.07 1ndf h THR 616 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1ndf h THR 616 Cb 0.26 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1ndf h THR 616 CO -0.00 0.00 0.37 0.25 0.37 0.00 0.00 175.52 176.51 1ndf h LEU 617 N -0.03 0.59 -0.56 2.58 5.85 -1.18 0.28 115.31 122.84 1ndf h LEU 617 Ca 0.09 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 1ndf h LEU 617 Cb 0.17 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1ndf h LEU 617 CO -0.20 0.41 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.14 1ndf h LEU 618 N 0.72 1.05 -1.12 2.25 3.38 -0.92 -2.71 115.31 117.97 1ndf h LEU 618 Ca 0.25 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1ndf h LEU 618 Cb 0.05 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ndf h LEU 618 CO -0.12 1.15 0.06 1.56 0.09 0.00 0.00 178.44 181.18 1ndf h GLN 619 N 0.93 0.68 0.00 1.13 4.20 -0.39 -2.60 115.11 119.06 1ndf h GLN 619 Ca 0.15 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.68 1ndf h GLN 619 Cb 0.67 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1ndf h GLN 619 CO 0.05 0.65 -0.17 -0.91 -0.67 0.00 0.00 178.83 177.79 1ndf h ASN 620 N 0.65 0.00 -2.25 1.46 -0.26 -0.71 -3.37 115.58 111.09 1ndf h ASN 620 Ca 0.14 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.30 1ndf h ASN 620 Cb 0.32 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 37.19 1ndf h ASN 620 CO 0.01 0.17 -0.94 1.41 -1.06 0.00 0.00 177.43 177.01 1ndf n HIS 621 N -3.35 0.38 -1.92 1.19 8.25 -0.98 -5.10 115.22 113.69 1ndf n HIS 621 Ca -0.00 -3.64 -0.40 0.00 -0.26 0.00 0.00 57.72 53.42 1ndf n HIS 621 Cb 0.38 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1ndf n HIS 621 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 1ndf s PRO 622 N -0.99 3.92 0.48 -0.41 0.02 -1.24 -4.89 135.00 131.89 1ndf s PRO 622 Ca 0.34 2.33 0.13 0.00 0.02 0.00 0.00 61.00 63.82 1ndf s PRO 622 Cb 0.10 -2.78 1.12 0.00 0.02 0.00 0.00 34.50 32.97 1ndf s PRO 622 CO -0.13 -0.60 2.10 0.00 -0.33 0.00 0.00 177.00 178.04 1ndf h ARG 623 N 2.65 0.14 -5.94 5.54 3.08 -1.99 -3.43 114.38 114.44 1ndf h ARG 623 Ca -0.50 -0.01 -0.61 0.00 0.07 0.00 0.00 59.98 58.92 1ndf h ARG 623 Cb 1.25 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 31.13 1ndf h ARG 623 CO 0.62 0.12 -0.68 0.00 -1.07 0.00 0.00 179.97 178.96 1ndf s ALA 624 N -5.11 2.92 0.00 0.04 0.00 -1.26 -5.31 121.76 113.04 1ndf s ALA 624 Ca -0.06 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 49.83 1ndf s ALA 624 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1ndf s ALA 624 CO 0.69 0.09 0.00 1.63 0.00 0.00 0.00 175.76 178.17