#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 1.02 -0.30 0.00 6.17 -2.01 -3.19 115.15 116.84 1ndf h HIS 31 Ca 0.00 -0.54 -0.09 0.00 0.71 0.00 0.00 60.37 60.45 1ndf h HIS 31 Cb 0.00 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 29.79 1ndf h HIS 31 CO 0.00 1.37 -0.19 1.96 0.71 0.00 0.00 177.93 181.79 1ndf h GLN 32 N 0.38 0.55 0.00 5.26 1.08 -1.96 -2.80 115.11 117.61 1ndf h GLN 32 Ca -0.11 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 56.84 1ndf h GLN 32 Cb 1.62 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.00 1ndf h GLN 32 CO 0.19 0.71 -0.31 -0.44 -0.95 0.00 0.00 178.83 178.03 1ndf h ASP 33 N 0.49 0.00 0.70 1.46 5.19 -2.02 -2.60 116.42 119.65 1ndf h ASP 33 Ca 0.08 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.30 1ndf h ASP 33 Cb 0.60 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.09 1ndf h ASP 33 CO 0.04 0.31 -0.85 0.00 -3.12 0.00 0.00 179.24 175.62 1ndf h ALA 34 N 1.69 0.58 -2.39 3.45 0.00 -1.49 -3.46 119.26 117.64 1ndf h ALA 34 Ca -0.00 -0.74 -0.58 0.00 0.00 0.00 0.00 54.91 53.59 1ndf h ALA 34 Cb 0.56 -0.10 0.11 0.00 0.00 0.00 0.00 17.79 18.36 1ndf h ALA 34 CO 0.04 0.97 0.43 1.28 0.00 0.00 0.00 179.25 181.97 1ndf n LEU 35 N -3.61 3.13 -4.79 0.00 4.77 -0.98 -4.96 117.00 110.56 1ndf n LEU 35 Ca -0.02 1.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.83 1ndf n LEU 35 Cb 0.80 -1.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.48 1ndf n LEU 35 CO 0.46 -0.68 0.72 -2.16 -1.33 0.00 0.00 177.39 174.40 1ndf s PRO 36 N -1.69 3.09 0.31 3.23 0.04 -1.26 -4.65 135.00 134.07 1ndf s PRO 36 Ca 0.57 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 1ndf s PRO 36 Cb -0.60 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.86 1ndf s PRO 36 CO 0.61 -0.99 0.67 1.03 0.04 0.00 0.00 177.00 178.35 1ndf s ARG 37 N -4.23 3.86 0.11 4.56 3.00 -1.26 -1.21 118.95 123.79 1ndf s ARG 37 Ca 0.64 0.45 -0.32 0.00 0.00 0.00 0.00 55.73 56.49 1ndf s ARG 37 Cb -0.17 -2.51 -0.12 0.00 0.00 0.00 0.00 34.95 32.15 1ndf s ARG 37 CO 0.41 0.18 1.78 -0.11 0.00 0.00 0.00 175.30 177.55 1ndf n LEU 38 N -0.52 3.76 -4.92 2.53 7.94 -1.26 -4.86 117.00 119.67 1ndf n LEU 38 Ca 0.02 1.01 -0.27 0.00 -1.11 0.00 0.00 56.01 55.67 1ndf n LEU 38 Cb 0.53 -1.50 0.01 0.00 0.53 0.00 0.00 43.42 43.00 1ndf n LEU 38 CO 0.44 0.05 0.46 -2.16 -1.11 0.00 0.00 177.39 175.08 1ndf s PRO 39 N 2.34 3.21 -0.35 1.96 0.04 -1.26 -4.73 135.00 136.22 1ndf s PRO 39 Ca 0.82 0.03 -0.10 0.00 0.04 0.00 0.00 61.00 61.79 1ndf s PRO 39 Cb -0.55 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1ndf s PRO 39 CO 0.39 -0.43 0.18 0.08 0.04 0.00 0.00 177.00 177.25 1ndf s VAL 40 N -2.83 4.52 0.77 -0.36 1.01 -1.26 -5.03 120.40 117.23 1ndf s VAL 40 Ca 0.50 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 1ndf s VAL 40 Cb -0.10 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 32.90 1ndf s VAL 40 CO 0.44 -0.11 1.19 -2.65 0.00 0.00 0.00 175.10 173.97 1ndf n PRO 41 N 4.98 0.38 -1.92 2.72 -0.02 -1.26 -4.92 135.00 134.95 1ndf n PRO 41 Ca -0.13 0.20 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 1ndf n PRO 41 Cb 0.47 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1ndf n PRO 41 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ndf s PRO 42 N -3.90 4.21 0.14 0.52 0.02 -1.26 -4.91 135.00 129.82 1ndf s PRO 42 Ca 0.75 2.43 -0.19 0.00 0.02 0.00 0.00 61.00 64.01 1ndf s PRO 42 Cb -0.31 -3.03 0.02 0.00 0.02 0.00 0.00 34.50 31.20 1ndf s PRO 42 CO 0.49 -0.43 1.70 1.25 -0.33 0.00 0.00 177.00 179.68 1ndf h LEU 43 N 3.68 -0.20 -0.90 -5.54 5.85 -1.98 -2.33 115.31 113.89 1ndf h LEU 43 Ca -0.49 0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 1ndf h LEU 43 Cb 1.23 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 1ndf h LEU 43 CO 0.69 -0.07 -0.22 -0.61 -0.34 0.00 0.00 178.44 177.89 1ndf h GLN 44 N 0.03 0.57 0.28 1.25 4.15 -1.95 -2.23 115.11 117.21 1ndf h GLN 44 Ca 0.13 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1ndf h GLN 44 Cb 0.19 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1ndf h GLN 44 CO -0.26 0.75 -0.14 0.37 -1.93 0.00 0.00 178.83 177.62 1ndf h GLN 45 N 0.50 -0.37 -0.88 1.69 4.15 -1.88 -0.57 115.11 117.75 1ndf h GLN 45 Ca 0.08 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1ndf h GLN 45 Cb 0.65 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.38 1ndf h GLN 45 CO 0.05 -0.18 0.57 0.77 -1.93 0.00 0.00 178.83 178.11 1ndf h SER 46 N -0.48 1.03 -0.01 -0.69 0.02 -1.40 -1.28 113.55 110.75 1ndf h SER 46 Ca -0.04 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 1ndf h SER 46 Cb 0.36 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1ndf h SER 46 CO 0.06 0.76 -0.21 -0.07 -1.14 0.00 0.00 176.83 176.24 1ndf h LEU 47 N 1.20 0.37 -0.28 5.07 3.38 -1.28 0.20 115.31 123.99 1ndf h LEU 47 Ca 0.32 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 1ndf h LEU 47 Cb -0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1ndf h LEU 47 CO -0.07 0.60 -0.12 -0.78 0.09 0.00 0.00 178.44 178.16 1ndf h ASP 48 N 0.34 0.59 -0.28 -0.43 3.58 -0.44 -2.01 116.42 117.76 1ndf h ASP 48 Ca 0.06 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 57.05 1ndf h ASP 48 Cb 0.57 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 1ndf h ASP 48 CO 0.04 0.86 -0.00 1.88 -2.88 0.00 0.00 179.24 179.13 1ndf h TYR 49 N 0.31 0.64 -0.19 0.28 0.05 -0.92 -2.12 116.97 115.02 1ndf h TYR 49 Ca 0.06 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1ndf h TYR 49 Cb 0.63 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.18 1ndf h TYR 49 CO 0.06 0.61 0.08 -0.92 -1.05 0.00 0.00 178.16 176.95 1ndf h TYR 50 N 0.58 0.29 -0.64 4.88 3.20 -0.79 -0.40 116.97 124.09 1ndf h TYR 50 Ca 0.12 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1ndf h TYR 50 Cb 0.37 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1ndf h TYR 50 CO 0.02 0.32 0.25 -0.07 -1.64 0.00 0.00 178.16 177.04 1ndf h LEU 51 N 0.17 0.86 -0.68 2.82 3.38 -1.12 -1.09 115.31 119.65 1ndf h LEU 51 Ca 0.07 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1ndf h LEU 51 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ndf h LEU 51 CO -0.01 0.77 -0.23 0.11 0.09 0.00 0.00 178.44 179.18 1ndf h LYS 52 N 0.93 0.78 0.00 1.13 1.57 -1.08 -2.66 116.57 117.23 1ndf h LYS 52 Ca 0.22 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1ndf h LYS 52 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1ndf h LYS 52 CO -0.02 0.93 -0.31 0.00 -0.57 0.00 0.00 179.45 179.48 1ndf h ALA 53 N 1.07 0.98 -0.00 3.86 0.00 -0.66 -3.18 119.26 121.32 1ndf h ALA 53 Ca 0.09 -0.28 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 1ndf h ALA 53 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1ndf h ALA 53 CO 0.06 0.38 -0.94 -0.07 0.00 0.00 0.00 179.25 178.68 1ndf h LEU 54 N 0.00 0.56 -0.90 0.00 3.38 -0.96 -3.37 115.31 114.02 1ndf h LEU 54 Ca -0.00 -0.45 0.19 0.00 0.09 0.00 0.00 57.88 57.71 1ndf h LEU 54 Cb 0.87 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.28 1ndf h LEU 54 CO 0.04 1.25 -0.17 -0.61 0.09 0.00 0.00 178.44 179.04 1ndf h GLN 55 N 0.25 0.01 0.00 1.13 4.15 -1.45 0.15 115.11 119.34 1ndf h GLN 55 Ca -0.08 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1ndf h GLN 55 Cb 1.58 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.26 1ndf h GLN 55 CO 0.17 0.01 0.00 -0.35 -1.93 0.00 0.00 178.83 176.72 1ndf n PRO 56 N -5.54 0.15 -0.02 -2.39 -0.04 -1.26 -3.95 135.00 121.95 1ndf n PRO 56 Ca 0.15 0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.89 1ndf n PRO 56 Cb 0.50 -1.73 0.02 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.00 0.44 -4.28 0.52 -5.35 -0.01 -4.54 119.36 104.14 1ndf n ILE 57 Ca 0.04 -0.72 -0.15 0.00 -0.27 0.00 0.00 62.75 61.65 1ndf n ILE 57 Cb 0.29 0.81 -0.10 0.00 -1.74 0.00 0.00 39.64 38.90 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 -0.55 1.03 0.86 7.28 -7.23 -0.92 -4.94 120.40 115.94 1ndf s VAL 58 Ca 0.04 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.05 1ndf s VAL 58 Cb 0.02 -2.11 0.11 0.00 0.56 0.00 0.00 36.38 34.97 1ndf s VAL 58 CO 0.03 -0.52 1.10 -0.94 -0.31 0.00 0.00 175.10 174.46 1ndf s SER 59 N -3.23 3.87 0.22 4.85 1.04 -1.26 -4.80 113.70 114.39 1ndf s SER 59 Ca 0.23 1.25 -0.09 0.00 0.48 0.00 0.00 55.95 57.82 1ndf s SER 59 Cb 0.04 -1.93 0.18 0.00 0.10 0.00 0.00 66.02 64.41 1ndf s SER 59 CO 0.05 -2.36 1.87 -0.33 0.98 0.00 0.00 173.24 173.45 1ndf h GLU 60 N -1.36 1.10 -0.47 4.02 5.08 -1.99 0.47 114.58 121.44 1ndf h GLU 60 Ca -0.49 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 1ndf h GLU 60 Cb 1.29 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1ndf h GLU 60 CO 0.59 0.76 0.17 0.93 -1.00 0.00 0.00 179.01 180.46 1ndf h GLU 61 N 1.11 0.71 -0.28 2.33 3.07 -2.00 -1.27 114.58 118.25 1ndf h GLU 61 Ca 0.29 -0.14 -0.11 0.00 -0.50 0.00 0.00 59.36 58.90 1ndf h GLU 61 Cb -0.06 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1ndf h GLU 61 CO -0.06 0.66 -0.29 0.93 -1.40 0.00 0.00 179.01 178.85 1ndf h GLU 62 N 0.61 0.58 -0.48 2.33 5.08 -1.84 -2.68 114.58 118.18 1ndf h GLU 62 Ca 0.15 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 1ndf h GLU 62 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1ndf h GLU 62 CO -0.01 0.80 -0.20 2.35 -1.00 0.00 0.00 179.01 180.96 1ndf h TRP 63 N 0.50 1.10 -0.25 4.33 7.01 -0.66 -1.88 115.95 126.10 1ndf h TRP 63 Ca 0.06 -0.26 0.00 0.00 2.11 0.00 0.00 58.89 60.81 1ndf h TRP 63 Cb 0.76 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1ndf h TRP 63 CO 0.03 1.07 0.16 0.00 -2.79 0.00 0.00 178.44 176.91 1ndf h ALA 64 N 0.92 0.32 0.03 2.65 0.00 -1.10 0.84 119.26 122.93 1ndf h ALA 64 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ndf h ALA 64 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ndf h ALA 64 CO 0.06 -0.19 -0.01 1.25 0.00 0.00 0.00 179.25 180.36 1ndf h HIS 65 N 0.33 -0.03 -0.83 0.00 -0.00 -1.38 -2.07 115.15 111.16 1ndf h HIS 65 Ca 0.09 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.52 1ndf h HIS 65 Cb -0.01 0.01 -0.05 0.00 -0.00 0.00 0.00 27.41 27.35 1ndf h HIS 65 CO -0.05 -0.01 0.54 1.15 -0.00 0.00 0.00 177.93 179.56 1ndf h THR 66 N -0.05 1.06 -0.64 6.26 2.02 -1.16 -0.84 112.91 119.55 1ndf h THR 66 Ca -0.00 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 66.90 1ndf h THR 66 Cb 0.04 0.04 -0.05 0.00 -1.74 0.00 0.00 68.15 66.44 1ndf h THR 66 CO 0.01 0.17 0.37 0.50 0.37 0.00 0.00 175.52 176.94 1ndf h LYS 67 N 0.93 0.69 -0.31 6.66 1.63 -0.22 -0.03 116.57 125.93 1ndf h LYS 67 Ca 0.36 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.98 1ndf h LYS 67 Cb 0.20 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1ndf h LYS 67 CO -0.13 0.46 -0.34 1.96 -3.45 0.00 0.00 179.45 177.95 1ndf h GLN 68 N 0.71 0.68 -0.43 1.90 4.20 -0.55 -1.68 115.11 119.95 1ndf h GLN 68 Ca 0.27 -0.32 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 1ndf h GLN 68 Cb 0.11 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1ndf h GLN 68 CO -0.15 0.92 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.86 1ndf h LEU 69 N 0.57 0.76 -0.63 1.46 3.38 -0.75 -1.51 115.31 118.59 1ndf h LEU 69 Ca 0.06 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1ndf h LEU 69 Cb 0.86 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1ndf h LEU 69 CO 0.07 0.89 0.31 0.58 0.09 0.00 0.00 178.44 180.38 1ndf h VAL 70 N 0.61 1.22 -0.32 1.22 2.07 -0.93 0.18 116.25 120.30 1ndf h VAL 70 Ca 0.12 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1ndf h VAL 70 Cb 0.51 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1ndf h VAL 70 CO 0.02 0.25 0.21 0.44 0.02 0.00 0.00 177.57 178.51 1ndf h ASP 71 N 0.87 0.37 0.68 0.57 3.32 -1.10 -1.18 116.42 119.95 1ndf h ASP 71 Ca 0.22 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.21 1ndf h ASP 71 Cb 0.11 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1ndf h ASP 71 CO -0.03 0.27 -0.19 -0.08 -1.72 0.00 0.00 179.24 177.50 1ndf h GLU 72 N 0.43 0.00 0.11 3.56 4.57 -0.91 -1.61 114.58 120.72 1ndf h GLU 72 Ca 0.12 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1ndf h GLU 72 Cb -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1ndf h GLU 72 CO -0.02 0.19 -0.05 0.35 -1.18 0.00 0.00 179.01 178.29 1ndf h PHE 73 N 0.00 -0.14 0.00 0.92 3.57 -0.01 -3.26 116.94 118.02 1ndf h PHE 73 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1ndf h PHE 73 Cb 0.58 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.37 1ndf h PHE 73 CO 0.00 -0.08 0.00 0.00 -2.23 0.00 0.00 178.31 176.00 1ndf n GLN 74 N -3.91 0.78 -1.41 1.11 10.64 -0.50 -2.03 117.38 122.06 1ndf n GLN 74 Ca -0.02 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.76 1ndf n GLN 74 Cb 0.06 -1.01 0.02 0.00 -0.86 0.00 0.00 30.24 28.44 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 -0.48 1.53 -2.55 -0.39 5.66 -0.61 -4.77 114.28 112.67 1ndf n THR 75 Ca 0.00 -0.50 -0.41 0.00 -3.05 0.00 0.00 64.05 60.09 1ndf n THR 75 Cb 0.01 -0.45 -0.02 0.00 -1.55 0.00 0.00 70.33 68.31 1ndf n THR 75 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ndf s SER 76 N -1.05 6.58 0.00 1.09 1.04 -1.26 -3.24 113.70 116.85 1ndf s SER 76 Ca 0.64 -1.78 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1ndf s SER 76 Cb -0.52 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.03 1ndf s SER 76 CO 0.58 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1ndf n GLY 77 N 6.37 0.61 0.00 7.32 0.00 -1.26 -5.16 105.19 113.07 1ndf n GLY 77 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 0.00 2.68 0.17 -0.02 0.00 -1.20 -5.07 105.19 101.74 1ndf n GLY 78 Ca 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.94 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 0.66 0.67 -0.30 1.61 2.07 -1.86 -3.18 116.25 115.92 1ndf h VAL 79 Ca 0.00 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1ndf h VAL 79 Cb 0.00 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 1ndf h VAL 79 CO 0.00 0.01 -0.44 1.23 0.02 0.00 0.00 177.57 178.39 1ndf h GLY 80 N 0.07 -0.66 2.00 2.17 0.00 -1.75 -0.65 103.07 104.25 1ndf h GLY 80 Ca 0.19 0.55 -0.02 0.00 0.00 0.00 0.00 47.33 48.06 1ndf h GLY 80 CO -0.35 -0.19 -0.08 0.83 0.00 0.00 0.00 176.54 176.74 1ndf h GLU 81 N -0.40 0.00 -0.30 4.80 5.08 -1.76 0.92 114.58 122.92 1ndf h GLU 81 Ca 0.11 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1ndf h GLU 81 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1ndf h GLU 81 CO -0.51 0.08 -0.17 -0.09 -1.00 0.00 0.00 179.01 177.33 1ndf h ARG 82 N 0.00 0.64 -0.41 2.33 2.43 -1.24 -1.50 114.38 116.64 1ndf h ARG 82 Ca -0.00 -0.29 -0.15 0.00 -0.81 0.00 0.00 59.98 58.73 1ndf h ARG 82 Cb 0.15 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1ndf h ARG 82 CO 0.01 0.88 -0.33 -0.07 -1.51 0.00 0.00 179.97 178.95 1ndf h LEU 83 N 0.39 0.99 -0.71 3.80 3.38 -0.54 -2.72 115.31 119.90 1ndf h LEU 83 Ca 0.06 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1ndf h LEU 83 Cb 0.70 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1ndf h LEU 83 CO 0.05 1.22 0.44 -0.61 0.09 0.00 0.00 178.44 179.63 1ndf h GLN 84 N 0.78 0.83 -0.30 1.13 5.75 -0.74 -0.49 115.11 122.07 1ndf h GLN 84 Ca 0.08 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.50 1ndf h GLN 84 Cb 0.92 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 1ndf h GLN 84 CO 0.09 0.55 0.08 0.87 -2.65 0.00 0.00 178.83 177.77 1ndf h LYS 85 N 0.86 0.43 -0.52 1.69 1.57 -1.14 -0.57 116.57 118.89 1ndf h LYS 85 Ca 0.29 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1ndf h LYS 85 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1ndf h LYS 85 CO -0.12 0.39 0.10 0.78 -0.57 0.00 0.00 179.45 180.04 1ndf h GLY 86 N 0.64 0.91 1.08 3.86 0.00 -0.81 -1.08 103.07 107.67 1ndf h GLY 86 Ca 0.10 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 1ndf h GLY 86 CO -0.00 0.55 0.04 1.41 0.00 0.00 0.00 176.54 178.53 1ndf h LEU 87 N 0.73 1.06 -1.13 3.11 3.38 -0.54 -0.63 115.31 121.29 1ndf h LEU 87 Ca 0.16 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1ndf h LEU 87 Cb 0.37 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1ndf h LEU 87 CO 0.01 1.09 0.32 -0.33 0.09 0.00 0.00 178.44 179.62 1ndf h GLU 88 N 0.99 0.93 -0.17 1.13 5.08 -0.86 -0.72 114.58 120.96 1ndf h GLU 88 Ca 0.18 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1ndf h GLU 88 Cb 0.52 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ndf h GLU 88 CO 0.03 0.72 -0.59 0.00 -1.00 0.00 0.00 179.01 178.16 1ndf h ARG 89 N 0.93 0.57 -0.85 2.33 3.08 -0.87 -2.92 114.38 116.65 1ndf h ARG 89 Ca 0.23 -0.38 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1ndf h ARG 89 Cb 0.09 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1ndf h ARG 89 CO -0.03 1.00 0.52 -0.09 -1.07 0.00 0.00 179.97 180.30 1ndf h ARG 90 N 0.43 1.16 0.00 0.04 2.43 -0.31 -1.99 114.38 116.13 1ndf h ARG 90 Ca -0.00 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.01 1ndf h ARG 90 Cb 1.15 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1ndf h ARG 90 CO 0.11 0.81 -0.27 0.00 -1.51 0.00 0.00 179.97 179.11 1ndf h ALA 91 N 1.28 1.47 0.00 2.80 0.00 -1.05 -2.22 119.26 121.55 1ndf h ALA 91 Ca 0.31 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ndf h ALA 91 Cb -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ndf h ALA 91 CO -0.06 0.34 -0.22 0.87 0.00 0.00 0.00 179.25 180.19 1ndf h LYS 92 N 0.00 0.00 -0.38 0.00 1.57 -1.19 -3.31 116.57 113.26 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1ndf h LYS 92 CO 0.04 0.22 0.00 0.36 -0.57 0.00 0.00 179.45 179.49 1ndf n LYS 93 N -3.17 2.91 -3.93 3.15 2.85 -0.94 -4.99 118.16 114.03 1ndf n LYS 93 Ca 0.03 -2.23 -0.10 0.00 -1.05 0.00 0.00 58.31 54.95 1ndf n LYS 93 Cb 0.59 -1.39 -0.10 0.00 -0.65 0.00 0.00 35.03 33.48 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 -1.25 0.43 0.26 -1.58 -1.94 -0.88 -5.04 119.30 109.31 1ndf s MET 94 Ca 0.29 -0.55 -0.04 0.00 -1.71 0.00 0.00 55.69 53.67 1ndf s MET 94 Cb 0.17 0.17 0.32 0.00 2.01 0.00 0.00 34.83 37.49 1ndf s MET 94 CO 0.17 -0.09 1.87 0.93 -0.01 0.00 0.00 175.02 177.88 1ndf h GLU 95 N 4.31 1.08 -2.77 2.03 5.08 -1.89 -3.40 114.58 119.02 1ndf h GLU 95 Ca -0.32 -0.15 -0.30 0.00 -1.00 0.00 0.00 59.36 57.60 1ndf h GLU 95 Cb 1.20 -0.20 -0.36 0.00 0.50 0.00 0.00 28.75 29.89 1ndf h GLU 95 CO 0.43 0.83 -0.62 1.21 -1.00 0.00 0.00 179.01 179.85 1ndf s ASN 96 N -6.37 1.08 0.61 1.42 3.84 -1.26 -4.53 114.94 109.73 1ndf s ASN 96 Ca -0.12 0.05 0.36 0.00 0.21 0.00 0.00 52.86 53.37 1ndf s ASN 96 Cb 0.17 0.37 2.01 0.00 -0.55 0.00 0.00 41.25 43.24 1ndf s ASN 96 CO 0.81 -0.29 2.26 4.11 -2.79 0.00 0.00 177.10 181.21 1ndf h TRP 97 N 8.33 0.00 0.00 0.43 5.08 -1.84 -3.17 115.95 124.78 1ndf h TRP 97 Ca -0.15 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.48 1ndf h TRP 97 Cb 1.14 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 27.23 1ndf h TRP 97 CO 0.26 0.02 -2.21 -0.11 -1.28 0.00 0.00 178.44 175.11 1ndf n LEU 98 N -3.42 0.21 -0.19 0.11 7.94 -1.26 -4.72 117.00 115.67 1ndf n LEU 98 Ca -0.03 0.10 -0.05 0.00 -1.11 0.00 0.00 56.01 54.92 1ndf n LEU 98 Cb 0.12 0.41 -0.05 0.00 0.53 0.00 0.00 43.42 44.43 1ndf n LEU 98 CO 0.25 0.46 0.43 -1.20 -1.11 0.00 0.00 177.39 176.21 1ndf n SER 99 N -2.81 -0.48 -0.06 1.96 7.64 -1.20 -0.52 113.62 118.16 1ndf n SER 99 Ca -0.28 1.23 -0.09 0.00 1.01 0.00 0.00 58.87 60.73 1ndf n SER 99 Cb 1.12 -0.32 -0.03 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 0.29 -0.66 1.43 4.81 -1.86 -0.88 114.58 117.72 1ndf h GLU 100 Ca 0.07 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1ndf h GLU 100 Cb 0.18 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1ndf h GLU 100 CO -0.42 0.19 0.43 -1.49 -0.73 0.00 0.00 179.01 177.00 1ndf h TRP 101 N 0.30 0.82 -0.11 0.92 6.55 -1.70 -1.28 115.95 121.45 1ndf h TRP 101 Ca 0.09 0.02 -0.03 0.00 0.95 0.00 0.00 58.89 59.92 1ndf h TRP 101 Cb -0.02 -0.28 -0.00 0.00 -0.86 0.00 0.00 29.16 28.00 1ndf h TRP 101 CO -0.07 0.51 -0.06 2.35 -1.05 0.00 0.00 178.44 180.12 1ndf h TRP 102 N 0.89 0.29 -0.79 0.49 2.91 -0.63 -0.10 115.95 119.01 1ndf h TRP 102 Ca 0.24 -0.07 0.09 0.00 1.13 0.00 0.00 58.89 60.28 1ndf h TRP 102 Cb -0.09 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 28.42 1ndf h TRP 102 CO -0.03 0.61 0.45 1.25 -1.03 0.00 0.00 178.44 179.68 1ndf h LEU 103 N -0.12 0.64 0.10 0.65 5.85 -1.05 0.29 115.31 121.67 1ndf h LEU 103 Ca 0.02 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1ndf h LEU 103 Cb 0.54 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1ndf h LEU 103 CO 0.02 0.38 -0.05 0.50 -0.34 0.00 0.00 178.44 178.95 1ndf h LYS 104 N 0.77 -0.13 -0.30 1.25 3.64 -1.15 -1.34 116.57 119.30 1ndf h LYS 104 Ca 0.37 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.65 1ndf h LYS 104 Cb 0.32 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1ndf h LYS 104 CO -0.23 0.23 -0.27 1.15 -2.27 0.00 0.00 179.45 178.06 1ndf h THR 105 N -0.51 1.30 0.00 1.00 2.02 -0.80 0.25 112.91 116.18 1ndf h THR 105 Ca -0.01 -1.43 -0.21 0.00 0.77 0.00 0.00 66.41 65.53 1ndf h THR 105 Cb 0.42 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1ndf h THR 105 CO 0.02 0.46 -1.03 0.00 0.37 0.00 0.00 175.52 175.34 1ndf h ALA 106 N 0.72 0.41 0.00 6.16 0.00 -1.07 -3.41 119.26 122.08 1ndf h ALA 106 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1ndf h ALA 106 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ndf h ALA 106 CO 0.07 1.24 0.00 0.66 0.00 0.00 0.00 179.25 181.21 1ndf n TYR 107 N -3.31 -1.10 -0.18 0.00 4.02 -0.91 -4.70 117.16 110.98 1ndf n TYR 107 Ca -0.01 0.19 0.09 0.00 -0.01 0.00 0.00 57.90 58.16 1ndf n TYR 107 Cb 0.94 0.28 0.38 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 0.61 -1.56 7.72 3.38 -1.21 -1.39 115.31 122.85 1ndf h LEU 108 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ndf h LEU 108 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ndf h LEU 108 CO 0.00 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1ndf n GLN 109 N -4.49 2.07 -2.73 1.13 6.02 0.89 -1.42 117.38 118.84 1ndf n GLN 109 Ca 0.12 -1.56 -0.43 0.00 -0.01 0.00 0.00 57.00 55.12 1ndf n GLN 109 Cb 0.30 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.94 2.92 -1.85 1.08 5.36 -0.53 -4.91 117.98 118.11 1ndf s PHE 110 Ca 0.33 0.59 0.27 0.00 -0.96 0.00 0.00 56.93 57.16 1ndf s PHE 110 Cb 0.20 -4.08 0.85 0.00 -0.34 0.00 0.00 43.02 39.66 1ndf s PHE 110 CO 0.31 -1.11 1.63 0.54 -1.46 0.00 0.00 175.22 175.13 1ndf n ARG 111 N 7.34 0.94 -1.27 10.12 5.12 -1.26 -4.91 116.66 132.73 1ndf n ARG 111 Ca 0.09 -0.53 -0.31 0.00 -1.93 0.00 0.00 57.85 55.17 1ndf n ARG 111 Cb 0.49 -1.49 0.09 0.00 -1.16 0.00 0.00 32.46 30.39 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 -2.43 2.19 0.58 5.56 -1.52 -1.26 -1.28 119.66 121.50 1ndf s GLN 112 Ca 0.27 1.12 -0.18 0.00 -1.95 0.00 0.00 55.36 54.61 1ndf s GLN 112 Cb 0.20 -1.89 -0.06 0.00 -0.22 0.00 0.00 33.01 31.03 1ndf s GLN 112 CO 0.49 -1.68 0.83 -2.30 -0.25 0.00 0.00 175.29 172.38 1ndf n PRO 113 N -3.54 0.78 0.14 2.91 -0.02 -1.26 -4.35 135.00 129.66 1ndf n PRO 113 Ca 0.09 0.30 0.02 0.00 -2.02 0.00 0.00 63.50 61.89 1ndf n PRO 113 Cb 0.53 -2.01 0.12 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.44 1.06 -2.76 -1.45 -1.51 -1.84 -3.37 116.25 106.83 1ndf h VAL 114 Ca -0.47 -2.18 -0.53 0.00 -1.23 0.00 0.00 66.70 62.28 1ndf h VAL 114 Cb 1.37 2.31 0.02 0.00 -2.13 0.00 0.00 31.29 32.86 1ndf h VAL 114 CO 0.50 0.54 0.94 -0.69 -1.23 0.00 0.00 177.57 177.63 1ndf s VAL 115 N -3.19 3.08 0.00 7.19 1.01 -1.26 -0.32 120.40 126.91 1ndf s VAL 115 Ca 0.02 0.60 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1ndf s VAL 115 Cb 0.10 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1ndf s VAL 115 CO 0.74 0.01 0.00 -0.38 0.00 0.00 0.00 175.10 175.47 1ndf n ILE 116 N 4.54 0.00 0.44 2.22 5.41 -1.26 -4.56 119.36 126.16 1ndf n ILE 116 Ca 0.15 0.00 0.13 0.00 1.00 0.00 0.00 62.75 64.03 1ndf n ILE 116 Cb 0.41 0.00 0.41 0.00 -0.71 0.00 0.00 39.64 39.74 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 0.99 -1.72 -1.43 116.97 116.20 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 1.00 0.00 0.00 36.73 37.73 1ndf h TYR 117 CO 0.00 0.00 -0.09 0.45 -0.00 0.00 0.00 178.16 178.52 1ndf n SER 118 N -2.56 -0.01 -4.63 3.88 2.88 -0.53 -4.85 113.62 107.81 1ndf n SER 118 Ca 0.04 0.10 -0.43 0.00 -1.33 0.00 0.00 58.87 57.25 1ndf n SER 118 Cb 0.39 0.08 -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 -5.03 6.68 0.53 -3.46 0.01 0.56 -4.57 113.70 108.43 1ndf s SER 119 Ca 0.00 1.14 -0.19 0.00 1.31 0.00 0.00 55.95 58.20 1ndf s SER 119 Cb 0.00 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 1ndf s SER 119 CO 0.00 -1.08 1.08 -2.84 0.41 0.00 0.00 173.24 170.80 1ndf s PRO 120 N 4.16 3.54 0.28 12.44 0.02 -1.21 -4.41 135.00 149.82 1ndf s PRO 120 Ca 0.55 1.43 0.09 0.00 0.02 0.00 0.00 61.00 63.09 1ndf s PRO 120 Cb -0.16 -2.05 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 1ndf s PRO 120 CO 0.23 -0.66 0.08 0.20 -0.33 0.00 0.00 177.00 176.52 1ndf s GLY 121 N -2.02 1.66 -0.01 0.52 0.00 -0.46 -2.16 107.32 104.85 1ndf s GLY 121 Ca 0.69 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1ndf s GLY 121 CO 0.25 -1.66 -0.04 0.14 0.00 0.00 0.00 173.10 171.79 1ndf s VAL 122 N -2.30 0.30 -0.21 1.40 1.01 0.91 -1.74 120.40 119.77 1ndf s VAL 122 Ca 0.33 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1ndf s VAL 122 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1ndf s VAL 122 CO 0.22 0.09 -0.04 -0.63 0.00 0.00 0.00 175.10 174.74 1ndf s ILE 123 N -0.01 3.47 0.48 2.22 1.01 -0.61 -1.42 121.20 126.34 1ndf s ILE 123 Ca 0.01 -0.47 0.05 0.00 0.00 0.00 0.00 60.65 60.24 1ndf s ILE 123 Cb -0.02 -2.57 0.02 0.00 0.01 0.00 0.00 42.46 39.90 1ndf s ILE 123 CO -0.00 0.44 0.66 -0.76 0.00 0.00 0.00 174.94 175.28 1ndf s LEU 124 N 1.24 3.48 0.30 2.97 1.43 -0.07 -2.78 118.68 125.25 1ndf s LEU 124 Ca 0.03 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 1ndf s LEU 124 Cb -0.14 -2.71 -0.13 0.00 0.03 0.00 0.00 46.19 43.24 1ndf s LEU 124 CO -0.01 -0.94 1.35 -2.65 0.23 0.00 0.00 176.35 174.32 1ndf n PRO 125 N -2.07 2.13 -2.28 1.29 -0.02 -1.26 -4.52 135.00 128.27 1ndf n PRO 125 Ca 0.08 0.75 -0.39 0.00 -2.02 0.00 0.00 63.50 61.92 1ndf n PRO 125 Cb 0.59 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1ndf n PRO 125 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1ndf s LYS 126 N -1.31 4.29 0.46 -0.52 2.20 -1.26 -4.60 119.74 119.00 1ndf s LYS 126 Ca 0.60 1.95 0.02 0.00 -0.36 0.00 0.00 55.97 58.18 1ndf s LYS 126 Cb -0.59 -2.92 0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1ndf s LYS 126 CO 0.57 -0.15 0.67 -0.65 -0.36 0.00 0.00 175.35 175.43 1ndf s GLN 127 N -1.94 2.90 0.00 4.03 -1.52 0.27 -4.99 119.66 118.41 1ndf s GLN 127 Ca 0.51 -0.70 0.22 0.00 -1.95 0.00 0.00 55.36 53.44 1ndf s GLN 127 Cb -0.34 -2.59 0.56 0.00 -0.22 0.00 0.00 33.01 30.42 1ndf s GLN 127 CO 0.44 -0.35 1.46 -0.40 -0.25 0.00 0.00 175.29 176.18 1ndf n ASP 128 N -2.08 2.63 -4.77 5.90 5.68 -1.26 -4.64 116.55 118.01 1ndf n ASP 128 Ca 0.04 -1.88 -0.35 0.00 -0.50 0.00 0.00 54.79 52.10 1ndf n ASP 128 Cb 0.58 -0.19 0.02 0.00 -1.14 0.00 0.00 41.12 40.39 1ndf n ASP 128 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1ndf s PHE 129 N -1.62 2.56 0.00 2.11 -0.12 -1.26 -4.95 117.98 114.70 1ndf s PHE 129 Ca 0.35 1.53 0.00 0.00 -0.05 0.00 0.00 56.93 58.77 1ndf s PHE 129 Cb 0.20 -3.36 0.00 0.00 -0.63 0.00 0.00 43.02 39.23 1ndf s PHE 129 CO 0.29 -1.82 0.52 1.33 -0.05 0.00 0.00 175.22 175.48 1ndf n VAL 130 N -1.45 0.26 -4.03 -2.49 0.24 -1.26 -4.14 118.33 105.45 1ndf n VAL 130 Ca 0.12 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.34 61.96 1ndf n VAL 130 Cb 0.50 1.10 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 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 -0.26 0.03 0.24 -1.34 1.47 -1.26 -5.05 116.67 110.49 1ndf s ASP 131 Ca 0.00 -1.02 -0.05 0.00 1.18 0.00 0.00 52.55 52.66 1ndf s ASP 131 Cb 0.00 0.47 0.42 0.00 -0.34 0.00 0.00 42.92 43.47 1ndf s ASP 131 CO 0.00 -0.96 1.74 -0.07 0.68 0.00 0.00 175.17 176.56 1ndf h LEU 132 N 2.47 0.33 -0.91 2.11 -0.00 -1.98 -0.80 115.31 116.53 1ndf h LEU 132 Ca -0.31 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 1ndf h LEU 132 Cb 1.24 0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.91 1ndf h LEU 132 CO 0.45 0.15 0.57 0.06 -0.00 0.00 0.00 178.44 179.67 1ndf h GLN 133 N 0.48 1.22 -0.24 1.13 -0.00 -1.99 -0.13 115.11 115.58 1ndf h GLN 133 Ca 0.40 -0.09 -0.12 0.00 -0.00 0.00 0.00 58.65 58.83 1ndf h GLN 133 Cb 0.55 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.48 27.76 1ndf h GLN 133 CO -0.36 0.83 -0.35 0.78 -0.00 0.00 0.00 178.83 179.72 1ndf h GLY 134 N 1.24 0.56 0.95 0.06 0.00 -1.73 -0.37 103.07 103.78 1ndf h GLY 134 Ca 0.33 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1ndf h GLY 134 CO -0.07 0.48 0.18 -1.61 0.00 0.00 0.00 176.54 175.52 1ndf h GLN 135 N 0.44 0.58 -0.32 4.80 4.15 -0.36 -1.03 115.11 123.36 1ndf h GLN 135 Ca 0.05 -0.09 -0.13 0.00 0.77 0.00 0.00 58.65 59.24 1ndf h GLN 135 Cb 0.82 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 1ndf h GLN 135 CO 0.07 0.53 -0.33 -0.07 -1.93 0.00 0.00 178.83 177.09 1ndf h LEU 136 N 0.50 0.74 -0.64 -2.39 3.38 -0.87 -1.90 115.31 114.13 1ndf h LEU 136 Ca 0.13 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1ndf h LEU 136 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1ndf h LEU 136 CO -0.01 1.01 0.20 0.03 0.09 0.00 0.00 178.44 179.75 1ndf h ARG 137 N 0.60 1.00 -0.34 1.13 2.47 -0.80 -0.47 114.38 117.97 1ndf h ARG 137 Ca 0.06 -0.22 -0.15 0.00 -1.26 0.00 0.00 59.98 58.42 1ndf h ARG 137 Cb 0.85 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 1ndf h ARG 137 CO 0.07 0.88 -0.37 0.35 0.56 0.00 0.00 179.97 181.46 1ndf h PHE 138 N 0.93 0.94 -0.77 3.04 3.57 -1.10 -2.57 116.94 120.97 1ndf h PHE 138 Ca 0.21 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.42 1ndf h PHE 138 Cb 0.30 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1ndf h PHE 138 CO 0.02 1.04 0.43 0.00 -2.23 0.00 0.00 178.31 177.58 1ndf h ALA 139 N 0.92 1.31 -0.66 2.41 0.00 -1.04 -0.09 119.26 122.11 1ndf h ALA 139 Ca 0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1ndf h ALA 139 Cb 0.93 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ndf h ALA 139 CO 0.09 0.57 0.11 0.00 0.00 0.00 0.00 179.25 180.01 1ndf h ALA 140 N 1.41 0.93 -0.22 0.00 0.00 -0.88 -0.76 119.26 119.73 1ndf h ALA 140 Ca 0.27 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 1ndf h ALA 140 Cb 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ndf h ALA 140 CO -0.05 0.66 -0.50 -0.22 0.00 0.00 0.00 179.25 179.15 1ndf h LYS 141 N 1.03 0.61 -0.25 0.00 3.11 -1.04 -2.01 116.57 118.01 1ndf h LYS 141 Ca 0.20 -0.36 -0.04 0.00 -2.81 0.00 0.00 60.65 57.65 1ndf h LYS 141 Cb 0.44 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 1ndf h LYS 141 CO 0.01 0.97 0.01 1.25 -2.81 0.00 0.00 179.45 178.88 1ndf h LEU 142 N 0.48 0.43 -0.29 5.20 6.46 -0.77 -1.39 115.31 125.43 1ndf h LEU 142 Ca 0.02 -0.30 0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1ndf h LEU 142 Cb 1.04 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.83 1ndf h LEU 142 CO 0.10 0.62 0.11 0.40 -0.62 0.00 0.00 178.44 179.05 1ndf h ILE 143 N 0.22 0.94 -0.58 4.05 2.04 -1.09 -1.24 117.51 121.85 1ndf h ILE 143 Ca 0.07 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1ndf h ILE 143 Cb 0.39 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1ndf h ILE 143 CO 0.01 0.05 0.39 -0.08 0.00 0.00 0.00 178.15 178.51 1ndf h GLU 144 N 0.25 0.76 -0.40 2.37 4.81 -1.24 -1.87 114.58 119.25 1ndf h GLU 144 Ca 0.12 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 1ndf h GLU 144 Cb 0.08 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1ndf h GLU 144 CO -0.12 0.50 -0.29 0.78 -0.73 0.00 0.00 179.01 179.16 1ndf h GLY 145 N 0.78 0.94 1.16 1.92 0.00 -0.37 -1.94 103.07 105.56 1ndf h GLY 145 Ca 0.22 -0.87 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 1ndf h GLY 145 CO -0.05 0.79 -0.16 -2.08 0.00 0.00 0.00 176.54 175.05 1ndf h VAL 146 N 0.73 1.27 -0.29 4.60 2.07 -0.77 -1.89 116.25 121.98 1ndf h VAL 146 Ca 0.08 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 1ndf h VAL 146 Cb 0.84 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1ndf h VAL 146 CO 0.07 0.46 -0.01 -0.07 0.02 0.00 0.00 177.57 178.04 1ndf h LEU 147 N 0.86 0.40 -0.65 2.57 3.38 -1.24 0.16 115.31 120.79 1ndf h LEU 147 Ca 0.12 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1ndf h LEU 147 Cb 0.72 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ndf h LEU 147 CO 0.05 0.47 0.03 -0.78 0.09 0.00 0.00 178.44 178.31 1ndf h ASP 148 N 0.42 1.05 -0.40 -0.43 3.58 -0.91 -1.28 116.42 118.45 1ndf h ASP 148 Ca 0.09 -0.29 -0.09 0.00 0.42 0.00 0.00 57.03 57.17 1ndf h ASP 148 Cb 0.29 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1ndf h ASP 148 CO 0.01 1.08 -0.08 0.15 -2.88 0.00 0.00 179.24 177.52 1ndf h PHE 149 N 0.99 0.86 -0.12 0.28 3.04 -0.49 -2.74 116.94 118.77 1ndf h PHE 149 Ca 0.18 -0.18 0.03 0.00 3.98 0.00 0.00 57.97 61.99 1ndf h PHE 149 Cb 0.53 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1ndf h PHE 149 CO 0.04 0.89 0.08 -0.22 -2.02 0.00 0.00 178.31 177.08 1ndf h LYS 150 N 0.58 0.00 -0.99 1.11 3.64 -0.32 -1.87 116.57 118.72 1ndf h LYS 150 Ca 0.10 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.56 1ndf h LYS 150 Cb 0.60 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1ndf h LYS 150 CO 0.04 0.00 0.64 0.66 -2.27 0.00 0.00 179.45 178.52 1ndf h SER 151 N 0.00 1.01 0.55 4.20 4.64 -0.92 0.21 113.55 123.25 1ndf h SER 151 Ca 0.05 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.30 1ndf h SER 151 Cb 0.22 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1ndf h SER 151 CO -0.00 0.63 -0.42 0.24 -0.87 0.00 0.00 176.83 176.41 1ndf h MET 152 N 1.14 0.00 0.01 4.77 2.86 -1.44 -1.99 114.93 120.28 1ndf h MET 152 Ca 0.44 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.93 1ndf h MET 152 Cb 0.21 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.88 1ndf h MET 152 CO -0.18 0.42 -0.56 0.82 1.06 0.00 0.00 176.91 178.47 1ndf h ILE 153 N 0.00 1.46 -0.31 -1.22 2.04 -0.98 0.16 117.51 118.66 1ndf h ILE 153 Ca -0.00 -2.10 -0.05 0.00 1.00 0.00 0.00 64.86 63.70 1ndf h ILE 153 Cb 0.81 2.68 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1ndf h ILE 153 CO 0.05 0.60 -0.02 0.44 0.00 0.00 0.00 178.15 179.23 1ndf h ASP 154 N -0.20 0.46 -0.02 1.72 3.32 -0.59 -2.52 116.42 118.59 1ndf h ASP 154 Ca -0.07 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1ndf h ASP 154 Cb 1.29 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1ndf h ASP 154 CO 0.11 0.54 -0.02 0.59 -1.72 0.00 0.00 179.24 178.74 1ndf n ASN 155 N -4.28 2.62 -2.79 6.45 3.02 -0.76 -4.95 115.26 114.57 1ndf n ASN 155 Ca 0.01 -1.86 -0.20 0.00 -0.03 0.00 0.00 54.58 52.50 1ndf n ASN 155 Cb 0.25 0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.45 1ndf n ASN 155 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ndf n GLU 156 N 1.02 -3.18 -0.38 3.52 1.02 -0.11 -4.84 120.64 117.69 1ndf n GLU 156 Ca 0.15 0.78 0.10 0.00 -0.02 0.00 0.00 57.16 58.17 1ndf n GLU 156 Cb 0.54 -5.50 0.30 0.00 -0.02 0.00 0.00 31.44 26.75 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 -4.01 1.04 -1.96 2.62 -2.24 0.38 -4.91 114.28 105.19 1ndf n THR 157 Ca -0.14 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.31 1ndf n THR 157 Cb 0.62 0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.15 4.34 -0.04 3.22 2.96 -1.08 -4.89 118.68 122.05 1ndf s LEU 158 Ca 0.44 2.32 -0.35 0.00 -0.22 0.00 0.00 54.13 56.32 1ndf s LEU 158 Cb 0.24 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.26 1ndf s LEU 158 CO 0.28 -0.93 1.71 -2.65 -1.32 0.00 0.00 176.35 173.45 1ndf n PRO 159 N 6.87 1.86 -1.83 0.98 -0.02 -1.26 -4.90 135.00 136.70 1ndf n PRO 159 Ca 0.17 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1ndf n PRO 159 Cb 0.42 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 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 2.74 2.25 0.29 -1.45 1.01 -1.26 -4.97 120.40 119.00 1ndf s VAL 160 Ca 0.89 0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.97 1ndf s VAL 160 Cb -0.79 -3.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 1ndf s VAL 160 CO 0.50 0.02 0.62 -1.61 0.00 0.00 0.00 175.10 174.64 1ndf s GLU 161 N 0.26 3.82 0.09 2.72 2.02 -1.26 -5.01 118.70 121.34 1ndf s GLU 161 Ca 0.67 0.35 0.06 0.00 0.02 0.00 0.00 54.97 56.07 1ndf s GLU 161 Cb -0.47 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 1ndf s GLU 161 CO 0.40 0.21 -0.16 -0.06 0.02 0.00 0.00 175.26 175.67 1ndf s PHE 162 N -1.98 1.43 -0.09 1.61 0.08 -1.26 -1.67 117.98 116.10 1ndf s PHE 162 Ca 0.49 -0.47 -0.03 0.00 0.12 0.00 0.00 56.93 57.04 1ndf s PHE 162 Cb -0.11 -0.78 0.05 0.00 -0.57 0.00 0.00 43.02 41.61 1ndf s PHE 162 CO 0.23 0.12 0.14 -1.17 -0.10 0.00 0.00 175.22 174.45 1ndf s LEU 163 N -1.95 -0.02 -1.90 -0.37 1.98 0.14 -4.80 118.68 111.76 1ndf s LEU 163 Ca 0.03 0.21 0.00 0.00 -2.89 0.00 0.00 54.13 51.48 1ndf s LEU 163 Cb -0.09 0.19 0.00 0.00 0.66 0.00 0.00 46.19 46.95 1ndf s LEU 163 CO 0.03 -0.26 0.00 0.61 -1.89 0.00 0.00 176.35 174.85 1ndf n GLY 164 N 5.32 0.16 2.46 7.98 0.00 -1.26 -0.18 105.19 119.66 1ndf n GLY 164 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.86 2.47 3.78 -0.02 0.00 -1.26 -5.01 105.19 104.29 1ndf n GLY 165 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1ndf n GLY 165 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ndf s GLN 166 N -0.23 4.09 0.71 1.61 -0.21 0.74 -5.04 119.66 121.32 1ndf s GLN 166 Ca 0.00 0.32 -0.16 0.00 0.02 0.00 0.00 55.36 55.54 1ndf s GLN 166 Cb 0.00 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.71 1ndf s GLN 166 CO 0.00 0.44 1.22 -2.14 -2.12 0.00 0.00 175.29 172.70 1ndf s PRO 167 N -0.25 2.26 0.01 2.91 0.02 -1.26 0.29 135.00 138.97 1ndf s PRO 167 Ca 0.22 1.82 0.08 0.00 0.02 0.00 0.00 61.00 63.14 1ndf s PRO 167 Cb -0.15 -1.84 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 1ndf s PRO 167 CO 0.10 -1.76 -0.25 -0.51 -0.33 0.00 0.00 177.00 174.25 1ndf s LEU 168 N -4.95 2.10 0.23 -5.54 1.43 -0.67 -4.47 118.68 106.81 1ndf s LEU 168 Ca 0.76 -0.51 -0.31 0.00 -1.03 0.00 0.00 54.13 53.04 1ndf s LEU 168 Cb -0.31 -1.26 -0.11 0.00 0.03 0.00 0.00 46.19 44.54 1ndf s LEU 168 CO 0.43 0.28 1.61 0.00 0.23 0.00 0.00 176.35 178.91 1ndf n MET 170 N 3.26 2.79 -0.19 0.00 0.00 -1.26 -4.63 117.12 117.09 1ndf n MET 170 Ca 0.12 -2.28 0.05 0.00 0.00 0.00 0.00 57.70 55.59 1ndf n MET 170 Cb 0.37 -1.39 0.33 0.00 0.00 0.00 0.00 33.22 32.54 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 2.92 0.71 -0.83 7.83 -1.24 -1.97 -2.49 115.58 120.50 1ndf h ASN 171 Ca 0.00 -0.00 0.14 0.00 0.71 0.00 0.00 56.30 57.15 1ndf h ASN 171 Cb 0.83 -0.16 -0.06 0.00 0.73 0.00 0.00 38.32 39.66 1ndf h ASN 171 CO 0.00 0.47 0.55 1.56 -1.29 0.00 0.00 177.43 178.72 1ndf h GLN 172 N 0.81 0.56 0.00 6.67 4.20 -1.93 -0.88 115.11 124.55 1ndf h GLN 172 Ca 0.30 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.96 1ndf h GLN 172 Cb 0.17 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1ndf h GLN 172 CO -0.09 0.37 -0.11 1.88 -0.67 0.00 0.00 178.83 180.21 1ndf h TYR 173 N 0.58 0.00 -0.46 2.96 0.05 -1.81 -2.66 116.97 115.63 1ndf h TYR 173 Ca 0.41 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 59.15 1ndf h TYR 173 Cb 0.77 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 1ndf h TYR 173 CO -0.00 0.11 0.06 0.66 -1.05 0.00 0.00 178.16 177.93 1ndf n TYR 174 N -3.62 1.64 0.00 4.88 4.02 -0.33 -4.09 117.16 119.66 1ndf n TYR 174 Ca -0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 1ndf n TYR 174 Cb 0.23 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.09 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 0.32 3.85 0.04 -0.72 1.13 -1.00 -4.86 117.38 116.13 1ndf n GLN 175 Ca 0.23 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.15 1ndf n GLN 175 Cb 1.01 -0.60 -0.14 0.00 0.11 0.00 0.00 30.24 30.62 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 1.11 -3.44 5.09 3.07 -1.71 -3.43 117.51 118.20 1ndf h ILE 176 Ca 0.00 -2.81 -0.54 0.00 1.55 0.00 0.00 64.86 63.06 1ndf h ILE 176 Cb 0.00 2.68 -0.03 0.00 -0.27 0.00 0.00 36.82 39.20 1ndf h ILE 176 CO 0.00 0.77 -0.08 -0.76 -1.05 0.00 0.00 178.15 177.04 1ndf s LEU 177 N -6.76 4.21 -1.51 0.16 1.43 -1.26 -4.31 118.68 110.62 1ndf s LEU 177 Ca -0.08 1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.95 1ndf s LEU 177 Cb 0.07 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.75 1ndf s LEU 177 CO 0.84 -0.04 0.72 -1.20 0.23 0.00 0.00 176.35 176.90 1ndf n SER 178 N 0.11 -2.53 -4.24 2.29 7.64 0.22 -4.47 113.62 112.63 1ndf n SER 178 Ca -0.01 -0.92 -0.14 0.00 1.01 0.00 0.00 58.87 58.82 1ndf n SER 178 Cb 0.52 -3.35 -0.10 0.00 -1.01 0.00 0.00 64.21 60.27 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 -3.77 1.03 -0.16 6.43 1.04 -1.26 -0.72 113.70 116.29 1ndf s SER 179 Ca 0.39 -1.24 -0.29 0.00 0.48 0.00 0.00 55.95 55.30 1ndf s SER 179 Cb -0.21 0.17 0.10 0.00 0.10 0.00 0.00 66.02 66.18 1ndf s SER 179 CO 0.87 -0.64 0.86 0.00 0.98 0.00 0.00 173.24 175.31 1ndf s ARG 181 N -0.71 4.75 -0.13 0.00 3.52 -0.03 -1.17 118.95 125.18 1ndf s ARG 181 Ca -0.04 1.37 0.03 0.00 -0.13 0.00 0.00 55.73 56.96 1ndf s ARG 181 Cb -0.02 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1ndf s ARG 181 CO 0.03 0.52 -0.21 0.08 -0.81 0.00 0.00 175.30 174.91 1ndf s VAL 182 N -1.20 2.21 0.54 7.11 1.01 0.12 -4.78 120.40 125.41 1ndf s VAL 182 Ca 0.40 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 61.22 1ndf s VAL 182 Cb -0.25 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 1ndf s VAL 182 CO 0.30 0.55 1.31 -2.84 0.00 0.00 0.00 175.10 174.41 1ndf s PRO 183 N 0.59 3.19 -0.00 2.72 0.02 -1.26 -1.22 135.00 139.04 1ndf s PRO 183 Ca -0.12 2.10 -0.03 0.00 0.02 0.00 0.00 61.00 62.97 1ndf s PRO 183 Cb -0.17 -2.23 -0.00 0.00 0.02 0.00 0.00 34.50 32.13 1ndf s PRO 183 CO 0.03 -1.11 0.06 0.20 -0.33 0.00 0.00 177.00 175.85 1ndf s GLY 184 N -1.11 0.08 0.56 0.52 0.00 -1.24 -4.78 107.32 101.33 1ndf s GLY 184 Ca 0.71 -0.17 0.33 0.00 0.00 0.00 0.00 44.72 45.60 1ndf s GLY 184 CO 0.43 -0.24 2.09 -0.56 0.00 0.00 0.00 173.10 174.82 1ndf h PRO 185 N 5.02 0.00 0.00 2.90 0.13 -1.91 -3.33 132.00 134.82 1ndf h PRO 185 Ca -0.29 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.63 1ndf h PRO 185 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1ndf h PRO 185 CO 0.43 0.06 -1.71 1.17 -0.23 0.00 0.00 178.00 177.71 1ndf n LYS 186 N -3.29 0.28 -3.70 0.86 4.81 -1.26 -4.92 118.16 110.93 1ndf n LYS 186 Ca -0.01 0.11 -0.13 0.00 -0.87 0.00 0.00 58.31 57.41 1ndf n LYS 186 Cb 0.24 -1.01 -0.07 0.00 0.02 0.00 0.00 35.03 34.21 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 -2.24 0.86 0.92 1.64 -2.07 -1.25 -4.87 119.66 112.64 1ndf s GLN 187 Ca -0.18 -0.36 -0.13 0.00 -1.82 0.00 0.00 55.36 52.87 1ndf s GLN 187 Cb 0.06 0.38 0.19 0.00 -1.09 0.00 0.00 33.01 32.55 1ndf s GLN 187 CO 0.24 -0.28 1.26 -0.51 -1.32 0.00 0.00 175.29 174.68 1ndf s ASP 188 N -1.90 3.32 0.31 12.60 1.01 -0.51 -3.73 116.67 127.78 1ndf s ASP 188 Ca -0.07 0.10 -0.00 0.00 0.71 0.00 0.00 52.55 53.30 1ndf s ASP 188 Cb -0.01 -0.20 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 1ndf s ASP 188 CO -0.01 -2.58 0.37 -0.94 0.21 0.00 0.00 175.17 172.21 1ndf s SER 189 N -4.87 0.97 -0.02 0.27 1.04 -0.36 -4.84 113.70 105.88 1ndf s SER 189 Ca 0.73 -1.51 0.02 0.00 0.48 0.00 0.00 55.95 55.66 1ndf s SER 189 Cb -0.04 0.59 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1ndf s SER 189 CO 0.51 -1.15 -0.06 -0.69 0.98 0.00 0.00 173.24 172.83 1ndf s VAL 190 N -3.39 0.54 0.06 5.02 1.01 -1.26 0.11 120.40 122.48 1ndf s VAL 190 Ca 0.34 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1ndf s VAL 190 Cb 0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1ndf s VAL 190 CO 0.21 0.18 -0.02 0.68 0.00 0.00 0.00 175.10 176.15 1ndf s VAL 191 N 0.27 3.91 -0.11 2.92 -7.23 -0.32 -4.96 120.40 114.88 1ndf s VAL 191 Ca -0.03 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.21 1ndf s VAL 191 Cb -0.08 -2.81 0.05 0.00 0.56 0.00 0.00 36.38 34.11 1ndf s VAL 191 CO -0.00 0.22 0.12 0.21 -0.31 0.00 0.00 175.10 175.34 1ndf s ASN 192 N -1.97 1.42 0.00 4.85 3.04 -1.26 -1.53 114.94 119.48 1ndf s ASN 192 Ca 0.22 -0.10 0.17 0.00 0.04 0.00 0.00 52.86 53.20 1ndf s ASN 192 Cb -0.11 0.01 0.35 0.00 -1.54 0.00 0.00 41.25 39.95 1ndf s ASN 192 CO 0.14 -0.29 1.27 0.49 -3.04 0.00 0.00 177.10 175.67 1ndf n PHE 193 N 5.30 0.45 -0.32 0.43 3.01 0.10 -4.68 117.46 121.74 1ndf n PHE 193 Ca -0.05 -0.30 0.09 0.00 1.01 0.00 0.00 57.45 58.20 1ndf n PHE 193 Cb 0.50 -0.01 0.26 0.00 -0.01 0.00 0.00 39.48 40.21 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 3.34 0.68 -3.45 4.37 5.85 -1.78 -2.89 115.31 121.43 1ndf h LEU 194 Ca 0.00 0.09 -0.26 0.00 0.84 0.00 0.00 57.88 58.55 1ndf h LEU 194 Cb 0.82 -0.03 -0.15 0.00 0.37 0.00 0.00 40.66 41.66 1ndf h LEU 194 CO 0.00 0.29 -0.06 0.29 -0.34 0.00 0.00 178.44 178.62 1ndf n LYS 195 N -4.80 2.03 -1.50 1.25 5.02 -1.26 -4.76 118.16 114.14 1ndf n LYS 195 Ca 0.19 -3.28 -0.29 0.00 -2.02 0.00 0.00 58.31 52.92 1ndf n LYS 195 Cb 0.46 -1.90 0.15 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.54 3.29 0.39 4.39 1.04 -1.09 -4.92 113.70 114.26 1ndf s SER 196 Ca 0.47 0.93 0.07 0.00 0.48 0.00 0.00 55.95 57.90 1ndf s SER 196 Cb 0.42 -1.47 0.83 0.00 0.10 0.00 0.00 66.02 65.89 1ndf s SER 196 CO 0.00 -2.69 2.00 0.11 0.98 0.00 0.00 173.24 173.65 1ndf h LYS 197 N -1.59 0.62 -2.68 4.02 1.79 -1.95 -3.26 116.57 113.50 1ndf h LYS 197 Ca -0.50 -0.04 -0.60 0.00 -2.18 0.00 0.00 60.65 57.33 1ndf h LYS 197 Cb 1.33 -0.14 -0.40 0.00 -1.58 0.00 0.00 32.23 31.44 1ndf h LYS 197 CO 0.59 0.41 -0.81 -0.98 -1.08 0.00 0.00 179.45 177.58 1ndf s ARG 198 N -5.57 1.46 0.52 3.15 1.70 -1.26 -5.12 118.95 113.83 1ndf s ARG 198 Ca -0.09 -2.49 -0.20 0.00 -0.47 0.00 0.00 55.73 52.48 1ndf s ARG 198 Cb 0.19 -2.19 -0.08 0.00 -0.57 0.00 0.00 34.95 32.29 1ndf s ARG 198 CO 0.75 -1.32 0.79 -2.30 -1.08 0.00 0.00 175.30 172.15 1ndf n PRO 199 N 2.67 0.86 -1.87 3.89 -0.02 -1.23 -4.91 135.00 134.38 1ndf n PRO 199 Ca 0.23 0.32 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 1ndf n PRO 199 Cb 0.42 -1.92 0.01 0.00 -0.02 0.00 0.00 33.50 31.99 1ndf n PRO 199 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1ndf s PRO 200 N -2.23 3.71 -0.10 0.52 0.02 -1.26 -4.93 135.00 130.74 1ndf s PRO 200 Ca 0.69 2.33 0.14 0.00 0.02 0.00 0.00 61.00 64.18 1ndf s PRO 200 Cb -0.48 -2.64 0.25 0.00 0.02 0.00 0.00 34.50 31.64 1ndf s PRO 200 CO 0.53 -0.77 1.15 0.25 -0.33 0.00 0.00 177.00 177.84 1ndf n THR 201 N -0.19 1.67 -4.29 0.99 -2.24 -1.26 -4.86 114.28 104.10 1ndf n THR 201 Ca 0.05 -1.84 -0.16 0.00 -2.27 0.00 0.00 64.05 59.83 1ndf n THR 201 Cb 0.43 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.31 1.47 0.45 4.78 -3.43 -1.26 -0.79 115.29 114.20 1ndf s HIS 202 Ca 0.25 -0.66 0.06 0.00 -0.80 0.00 0.00 55.06 53.90 1ndf s HIS 202 Cb 0.21 -0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 30.60 1ndf s HIS 202 CO 0.04 0.21 0.10 0.96 -2.00 0.00 0.00 174.74 174.05 1ndf s ILE 203 N -3.07 1.87 0.06 -5.38 -4.36 -0.22 -0.59 121.20 109.50 1ndf s ILE 203 Ca 0.19 -1.85 0.07 0.00 -0.26 0.00 0.00 60.65 58.80 1ndf s ILE 203 Cb 0.00 -2.72 -0.03 0.00 1.25 0.00 0.00 42.46 40.96 1ndf s ILE 203 CO 0.03 0.00 -0.18 0.42 0.24 0.00 0.00 174.94 175.46 1ndf s THR 204 N -2.72 2.81 -0.05 8.37 -4.23 -0.73 -1.28 115.64 117.81 1ndf s THR 204 Ca 0.30 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1ndf s THR 204 Cb 0.05 -2.21 -0.00 0.00 1.34 0.00 0.00 72.50 71.68 1ndf s THR 204 CO 0.16 0.28 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.65 1ndf s VAL 205 N -0.98 1.52 -0.12 2.29 1.01 -0.48 -1.33 120.40 122.30 1ndf s VAL 205 Ca 0.15 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1ndf s VAL 205 Cb -0.11 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1ndf s VAL 205 CO 0.06 0.44 -0.20 -0.69 0.00 0.00 0.00 175.10 174.71 1ndf s VAL 206 N 0.13 2.34 -0.06 2.92 1.01 -0.45 -0.76 120.40 125.53 1ndf s VAL 206 Ca -0.07 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 1ndf s VAL 206 Cb -0.13 -1.94 0.04 0.00 0.00 0.00 0.00 36.38 34.35 1ndf s VAL 206 CO 0.03 0.54 0.12 -2.28 0.00 0.00 0.00 175.10 173.52 1ndf s HIS 207 N 0.54 -0.12 -1.55 5.22 5.04 -0.55 -1.02 115.29 122.85 1ndf s HIS 207 Ca -0.12 0.42 -0.14 0.00 -1.54 0.00 0.00 55.06 53.67 1ndf s HIS 207 Cb -0.17 -0.15 0.10 0.00 0.04 0.00 0.00 32.58 32.41 1ndf s HIS 207 CO 0.04 -0.16 0.86 0.09 -2.34 0.00 0.00 174.74 173.23 1ndf n ASN 208 N 4.36 -4.36 0.00 9.88 3.02 -1.26 -1.07 115.26 125.83 1ndf n ASN 208 Ca -0.24 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1ndf n ASN 208 Cb 0.51 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 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 -4.51 0.00 -3.61 3.10 0.53 -1.26 -4.76 117.16 106.65 1ndf n TYR 209 Ca 0.04 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.56 1ndf n TYR 209 Cb 0.52 -0.15 -0.07 0.00 -1.03 0.00 0.00 39.34 38.61 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 -0.06 4.06 -0.01 -0.72 -0.21 -0.23 -4.72 119.66 117.77 1ndf s GLN 210 Ca 0.00 0.07 -0.09 0.00 0.02 0.00 0.00 55.36 55.37 1ndf s GLN 210 Cb 0.00 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.61 1ndf s GLN 210 CO 0.00 0.40 0.29 -0.06 -2.12 0.00 0.00 175.29 173.80 1ndf s PHE 211 N -0.02 3.62 0.02 0.91 0.40 -1.26 -1.49 117.98 120.15 1ndf s PHE 211 Ca 0.16 0.68 0.03 0.00 -0.60 0.00 0.00 56.93 57.21 1ndf s PHE 211 Cb -0.13 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 1ndf s PHE 211 CO 0.05 0.64 -0.10 -0.06 0.70 0.00 0.00 175.22 176.45 1ndf s PHE 212 N -1.21 0.85 -0.30 0.36 0.40 0.06 -0.26 117.98 117.88 1ndf s PHE 212 Ca 0.25 -0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 56.16 1ndf s PHE 212 Cb -0.14 -0.52 -0.03 0.00 0.51 0.00 0.00 43.02 42.84 1ndf s PHE 212 CO 0.13 -0.01 0.37 -2.00 0.70 0.00 0.00 175.22 174.41 1ndf s GLU 213 N -0.75 3.86 -0.27 0.44 2.12 0.14 -1.39 118.70 122.86 1ndf s GLU 213 Ca -0.00 -0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.23 1ndf s GLU 213 Cb -0.06 -3.71 0.07 0.00 0.26 0.00 0.00 34.13 30.69 1ndf s GLU 213 CO 0.00 -0.37 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.11 1ndf s LEU 214 N 2.06 3.43 0.19 2.70 2.96 -0.40 -1.97 118.68 127.65 1ndf s LEU 214 Ca 0.14 -1.45 -0.30 0.00 -0.22 0.00 0.00 54.13 52.29 1ndf s LEU 214 Cb -0.16 -1.48 -0.09 0.00 0.50 0.00 0.00 46.19 44.96 1ndf s LEU 214 CO 0.11 -0.22 1.38 -1.81 -1.32 0.00 0.00 176.35 174.49 1ndf s ASP 215 N 1.14 6.79 -0.15 3.68 1.01 -1.26 -1.06 116.67 126.82 1ndf s ASP 215 Ca -0.06 2.47 0.18 0.00 0.71 0.00 0.00 52.55 55.84 1ndf s ASP 215 Cb -0.20 -2.61 0.40 0.00 1.01 0.00 0.00 42.92 41.52 1ndf s ASP 215 CO -0.06 -0.62 1.27 1.33 0.21 0.00 0.00 175.17 177.30 1ndf n VAL 216 N 2.99 2.04 -4.00 -1.27 0.24 0.03 -4.93 118.33 113.43 1ndf n VAL 216 Ca 0.08 -2.05 -0.12 0.00 -2.04 0.00 0.00 64.34 60.21 1ndf n VAL 216 Cb 0.42 -0.22 -0.12 0.00 -1.47 0.00 0.00 33.84 32.44 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 -2.80 0.33 0.71 6.34 2.02 -1.25 -1.55 117.35 121.16 1ndf s TYR 217 Ca 0.36 -0.32 -0.07 0.00 -0.37 0.00 0.00 57.07 56.67 1ndf s TYR 217 Cb 0.30 -0.21 0.06 0.00 -0.40 0.00 0.00 41.96 41.71 1ndf s TYR 217 CO 0.06 -0.09 1.03 -1.01 -1.57 0.00 0.00 175.55 173.97 1ndf s HIS 218 N -0.85 2.94 0.34 2.71 3.76 0.19 -4.88 115.29 119.49 1ndf s HIS 218 Ca -0.08 0.49 0.10 0.00 -0.15 0.00 0.00 55.06 55.43 1ndf s HIS 218 Cb -0.06 -3.21 0.86 0.00 1.11 0.00 0.00 32.58 31.27 1ndf s HIS 218 CO -0.00 -1.43 1.78 0.77 -0.85 0.00 0.00 174.74 175.01 1ndf h SER 219 N -0.64 0.67 0.00 1.40 0.02 -2.02 0.18 113.55 113.16 1ndf h SER 219 Ca -0.45 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1ndf h SER 219 Cb 1.31 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1ndf h SER 219 CO 0.61 0.21 0.00 -0.90 -1.14 0.00 0.00 176.83 175.62 1ndf n ASP 220 N -4.72 0.00 0.00 3.07 5.68 -1.26 -4.87 116.55 114.45 1ndf n ASP 220 Ca 0.23 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.41 1ndf n ASP 220 Cb 0.65 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1ndf n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ndf n GLY 221 N 0.63 1.24 3.78 6.12 0.00 0.63 -5.04 105.19 112.55 1ndf n GLY 221 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.74 3.83 0.59 2.61 -4.23 -1.26 -4.69 115.64 109.76 1ndf s THR 222 Ca 0.00 1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 61.83 1ndf s THR 222 Cb 0.00 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1ndf s THR 222 CO 0.00 0.07 1.03 -2.16 -0.54 0.00 0.00 174.62 173.02 1ndf s PRO 223 N -2.29 3.47 0.63 3.99 0.04 -1.26 0.52 135.00 140.10 1ndf s PRO 223 Ca 0.55 1.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 1ndf s PRO 223 Cb -0.22 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1ndf s PRO 223 CO 0.28 -0.67 1.08 -0.51 0.04 0.00 0.00 177.00 177.21 1ndf s LEU 224 N -4.58 3.43 0.48 -3.56 1.02 -0.59 -4.76 118.68 110.12 1ndf s LEU 224 Ca 0.61 1.88 -0.00 0.00 0.02 0.00 0.00 54.13 56.64 1ndf s LEU 224 Cb -0.13 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.54 1ndf s LEU 224 CO 0.39 -1.37 0.71 0.42 0.02 0.00 0.00 176.35 176.52 1ndf s THR 225 N -2.44 3.75 0.35 5.49 -4.23 -1.26 -4.87 115.64 112.44 1ndf s THR 225 Ca 0.65 -0.47 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1ndf s THR 225 Cb -0.18 -3.40 0.31 0.00 1.34 0.00 0.00 72.50 70.57 1ndf s THR 225 CO 0.40 -0.30 1.91 0.77 -0.54 0.00 0.00 174.62 176.86 1ndf h SER 226 N 0.29 0.69 -0.67 3.99 4.64 -1.97 0.16 113.55 120.68 1ndf h SER 226 Ca -0.45 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.82 1ndf h SER 226 Cb 1.26 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1ndf h SER 226 CO 0.57 0.40 0.16 0.44 -0.87 0.00 0.00 176.83 177.53 1ndf h ASP 227 N 0.76 1.01 -0.31 4.97 5.19 -1.94 0.52 116.42 126.63 1ndf h ASP 227 Ca 0.39 -0.23 -0.18 0.00 -0.62 0.00 0.00 57.03 56.39 1ndf h ASP 227 Cb 0.48 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 1ndf h ASP 227 CO -0.16 0.98 -0.50 1.56 -3.12 0.00 0.00 179.24 178.00 1ndf h GLN 228 N 0.99 0.88 -0.87 3.56 4.20 -1.61 -2.70 115.11 119.57 1ndf h GLN 228 Ca 0.21 -0.54 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 1ndf h GLN 228 Cb 0.36 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 1ndf h GLN 228 CO 0.00 1.18 0.45 0.82 -0.67 0.00 0.00 178.83 180.61 1ndf h ILE 229 N 0.67 1.26 -0.56 2.54 2.04 -0.51 -2.27 117.51 120.67 1ndf h ILE 229 Ca 0.02 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1ndf h ILE 229 Cb 1.11 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1ndf h ILE 229 CO 0.11 0.30 0.30 0.15 0.00 0.00 0.00 178.15 179.01 1ndf h PHE 230 N 1.23 0.77 -1.00 1.37 3.57 -0.80 0.40 116.94 122.47 1ndf h PHE 230 Ca 0.30 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.83 1ndf h PHE 230 Cb 0.06 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 1ndf h PHE 230 CO 0.01 0.57 0.65 0.28 -2.23 0.00 0.00 178.31 177.59 1ndf h VAL 231 N 0.75 1.14 -0.32 1.41 2.07 -1.11 -0.41 116.25 119.77 1ndf h VAL 231 Ca 0.20 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1ndf h VAL 231 Cb 0.06 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.62 1ndf h VAL 231 CO -0.03 0.22 -0.28 1.56 0.02 0.00 0.00 177.57 179.06 1ndf h GLN 232 N 1.23 0.76 -0.21 1.57 1.08 -0.82 -2.67 115.11 116.05 1ndf h GLN 232 Ca 0.41 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1ndf h GLN 232 Cb 0.07 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1ndf h GLN 232 CO -0.15 1.01 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.59 1ndf h LEU 233 N 0.53 0.31 -0.84 1.46 3.38 -0.48 -1.41 115.31 118.25 1ndf h LEU 233 Ca 0.06 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1ndf h LEU 233 Cb 0.85 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1ndf h LEU 233 CO 0.07 0.43 -0.14 -0.08 0.09 0.00 0.00 178.44 178.81 1ndf h GLU 234 N 0.31 0.71 -0.40 1.13 4.81 -0.94 0.10 114.58 120.31 1ndf h GLU 234 Ca 0.07 -0.24 -0.15 0.00 -0.13 0.00 0.00 59.36 58.90 1ndf h GLU 234 Cb 0.34 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1ndf h GLU 234 CO 0.02 0.82 -0.35 0.87 -0.73 0.00 0.00 179.01 179.64 1ndf h LYS 235 N 0.64 0.95 -0.43 1.92 1.57 -1.04 -1.95 116.57 118.22 1ndf h LYS 235 Ca 0.11 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1ndf h LYS 235 Cb 0.60 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1ndf h LYS 235 CO 0.04 1.14 0.19 0.82 -0.57 0.00 0.00 179.45 181.07 1ndf h ILE 236 N 0.78 1.19 -0.03 1.86 2.04 -0.95 -1.31 117.51 121.09 1ndf h ILE 236 Ca 0.07 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.37 1ndf h ILE 236 Cb 0.94 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1ndf h ILE 236 CO 0.09 0.22 -0.10 -0.25 0.00 0.00 0.00 178.15 178.11 1ndf h TRP 237 N 0.55 -0.24 0.00 1.37 2.91 -0.69 -1.91 115.95 117.94 1ndf h TRP 237 Ca 0.15 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.16 1ndf h TRP 237 Cb 0.16 0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 28.92 1ndf h TRP 237 CO -0.00 -0.15 -0.07 -0.91 -1.03 0.00 0.00 178.44 176.28 1ndf h ASN 238 N -0.15 0.00 0.18 2.65 2.35 -1.17 -1.86 115.58 117.58 1ndf h ASN 238 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1ndf h ASN 238 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1ndf h ASN 238 CO -0.12 0.07 -0.09 -1.20 -1.65 0.00 0.00 177.43 174.44 1ndf n SER 239 N -3.77 0.79 -2.78 5.81 7.64 -0.51 -4.14 113.62 116.66 1ndf n SER 239 Ca -0.02 -0.95 -0.03 0.00 1.01 0.00 0.00 58.87 58.87 1ndf n SER 239 Cb 0.17 -0.01 0.05 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.59 1.35 0.18 6.43 3.41 -0.71 -4.87 113.62 118.82 1ndf n SER 240 Ca 0.17 -2.24 0.06 0.00 -0.26 0.00 0.00 58.87 56.59 1ndf n SER 240 Cb 0.29 -0.42 0.25 0.00 -0.26 0.00 0.00 64.21 64.06 1ndf n SER 240 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1ndf h LEU 241 N 2.65 0.00 -9.94 1.04 3.38 -1.69 -3.42 115.31 107.33 1ndf h LEU 241 Ca -0.14 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.33 1ndf h LEU 241 Cb 1.24 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.03 1ndf h LEU 241 CO 0.26 0.37 0.45 -1.10 0.09 0.00 0.00 178.44 178.51 1ndf s GLN 242 N -3.36 4.16 -0.29 1.13 -0.21 -1.26 -4.97 119.66 114.85 1ndf s GLN 242 Ca 0.02 1.66 0.08 0.00 0.02 0.00 0.00 55.36 57.14 1ndf s GLN 242 Cb 0.09 -2.64 0.47 0.00 1.00 0.00 0.00 33.01 31.93 1ndf s GLN 242 CO 0.69 -0.18 1.36 0.45 -2.12 0.00 0.00 175.29 175.49 1ndf n SER 243 N 0.08 2.99 -0.79 5.90 2.88 -1.26 -4.66 113.62 118.77 1ndf n SER 243 Ca 0.04 -3.83 0.02 0.00 -1.33 0.00 0.00 58.87 53.78 1ndf n SER 243 Cb 0.48 -0.56 0.20 0.00 -0.75 0.00 0.00 64.21 63.58 1ndf n SER 243 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1ndf n ASN 244 N -1.03 2.13 -4.72 -3.46 6.94 -1.26 -5.00 115.26 108.85 1ndf n ASN 244 Ca 0.33 -3.77 -0.35 0.00 -0.02 0.00 0.00 54.58 50.77 1ndf n ASN 244 Cb 0.90 -0.56 -0.09 0.00 -2.36 0.00 0.00 39.78 37.66 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 -3.20 3.06 0.37 -3.83 -0.14 -1.26 -5.08 119.74 109.66 1ndf s LYS 245 Ca 0.40 -0.37 -0.28 0.00 -1.36 0.00 0.00 55.97 54.37 1ndf s LYS 245 Cb 0.38 -2.86 -0.10 0.00 -1.68 0.00 0.00 37.83 33.57 1ndf s LYS 245 CO -0.03 0.71 1.38 -1.21 -0.76 0.00 0.00 175.35 175.44 1ndf s GLU 246 N -0.96 4.13 -1.40 1.68 0.41 -1.26 -4.90 118.70 116.40 1ndf s GLU 246 Ca 0.14 2.35 -0.13 0.00 -0.41 0.00 0.00 54.97 56.92 1ndf s GLU 246 Cb -0.11 -2.94 0.08 0.00 -1.78 0.00 0.00 34.13 29.38 1ndf s GLU 246 CO 0.03 -0.43 2.10 -0.35 -0.49 0.00 0.00 175.26 176.13 1ndf n PRO 247 N 0.46 3.08 -0.32 0.39 -0.04 -1.26 -4.77 135.00 132.54 1ndf n PRO 247 Ca 0.01 -2.89 0.09 0.00 -0.04 0.00 0.00 63.50 60.67 1ndf n PRO 247 Cb 0.41 -3.20 0.26 0.00 -0.04 0.00 0.00 33.50 30.94 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 4.00 0.71 -0.17 0.52 2.07 -1.85 -0.81 116.25 120.72 1ndf h VAL 248 Ca 0.51 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.86 1ndf h VAL 248 Cb 0.65 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ndf h VAL 248 CO 1.79 0.12 0.22 1.23 0.02 0.00 0.00 177.57 180.96 1ndf h GLY 249 N 0.67 0.00 2.00 2.17 0.00 -1.75 -0.58 103.07 105.58 1ndf h GLY 249 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1ndf h GLY 249 CO -0.38 0.00 0.00 4.51 0.00 0.00 0.00 176.54 180.67 1ndf n ILE 250 N -3.66 0.88 0.16 2.60 3.06 -0.31 -1.84 119.36 120.26 1ndf n ILE 250 Ca 0.01 0.42 0.04 0.00 -2.50 0.00 0.00 62.75 60.73 1ndf n ILE 250 Cb 0.34 -1.39 0.47 0.00 0.54 0.00 0.00 39.64 39.60 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 0.15 0.00 9.51 3.38 -1.26 -2.25 115.31 124.84 1ndf h LEU 251 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ndf h LEU 251 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ndf h LEU 251 CO 0.00 0.25 0.00 0.35 0.09 0.00 0.00 178.44 179.13 1ndf n THR 252 N -4.36 0.69 1.18 0.22 -2.24 -0.77 -2.41 114.28 106.59 1ndf n THR 252 Ca -0.01 0.17 0.13 0.00 -2.27 0.00 0.00 64.05 62.07 1ndf n THR 252 Cb 0.20 -0.95 0.25 0.00 -2.10 0.00 0.00 70.33 67.73 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 -1.31 2.37 -4.79 3.42 3.41 -0.84 -4.63 113.62 111.25 1ndf n SER 253 Ca 0.06 -1.76 -0.25 0.00 -0.26 0.00 0.00 58.87 56.66 1ndf n SER 253 Cb 0.11 0.03 0.09 0.00 -0.26 0.00 0.00 64.21 64.18 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 -2.05 4.58 0.31 4.04 3.84 -1.01 -4.71 114.94 119.94 1ndf s ASN 254 Ca 0.31 0.19 -0.28 0.00 0.21 0.00 0.00 52.86 53.29 1ndf s ASN 254 Cb 0.20 -0.75 -0.13 0.00 -0.55 0.00 0.00 41.25 40.02 1ndf s ASN 254 CO 0.34 -1.72 1.09 1.57 -2.79 0.00 0.00 177.10 175.59 1ndf n HIS 255 N -2.92 1.58 0.18 0.43 -0.00 -1.26 -4.31 115.22 108.92 1ndf n HIS 255 Ca 0.10 0.66 0.07 0.00 -0.00 0.00 0.00 57.72 58.56 1ndf n HIS 255 Cb 0.60 -2.30 0.58 0.00 -0.00 0.00 0.00 29.99 28.88 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 2.15 0.14 -0.40 1.57 2.47 -1.39 0.39 114.38 119.32 1ndf h ARG 256 Ca -0.41 -0.01 -0.13 0.00 -1.26 0.00 0.00 59.98 58.17 1ndf h ARG 256 Cb 1.32 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 1ndf h ARG 256 CO 0.61 0.09 -0.28 -0.91 0.56 0.00 0.00 179.97 180.05 1ndf h ASN 257 N 0.15 0.88 -0.16 7.04 2.35 -1.89 -0.25 115.58 123.70 1ndf h ASN 257 Ca 0.05 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.36 1ndf h ASN 257 Cb 0.03 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1ndf h ASN 257 CO -0.01 1.10 -0.26 0.74 -1.65 0.00 0.00 177.43 177.34 1ndf h THR 258 N 0.72 1.35 -0.38 2.81 2.02 -1.65 -3.10 112.91 114.68 1ndf h THR 258 Ca 0.09 -1.49 -0.08 0.00 0.77 0.00 0.00 66.41 65.69 1ndf h THR 258 Cb 0.82 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.15 1ndf h THR 258 CO 0.07 0.45 -0.11 -0.25 0.37 0.00 0.00 175.52 176.05 1ndf h TRP 259 N 0.09 0.73 -0.81 3.16 -0.00 -0.93 -1.35 115.95 116.84 1ndf h TRP 259 Ca 0.01 -0.12 0.06 0.00 -0.00 0.00 0.00 58.89 58.84 1ndf h TRP 259 Cb 0.84 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.16 29.75 1ndf h TRP 259 CO 0.09 0.75 0.49 0.00 -0.00 0.00 0.00 178.44 179.78 1ndf h ALA 260 N 1.27 1.10 -0.13 2.65 0.00 -1.02 0.54 119.26 123.68 1ndf h ALA 260 Ca 0.11 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1ndf h ALA 260 Cb 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ndf h ALA 260 CO 0.03 0.23 -0.38 -0.22 0.00 0.00 0.00 179.25 178.92 1ndf h LYS 261 N 0.91 0.48 -0.42 0.00 3.64 -1.42 -2.57 116.57 117.18 1ndf h LYS 261 Ca 0.35 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1ndf h LYS 261 Cb 0.16 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1ndf h LYS 261 CO -0.17 0.96 0.04 0.00 -2.27 0.00 0.00 179.45 178.01 1ndf h ALA 262 N 0.51 1.28 -0.07 5.00 0.00 -0.76 -2.18 119.26 123.04 1ndf h ALA 262 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1ndf h ALA 262 Cb 1.00 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ndf h ALA 262 CO 0.08 0.49 0.01 -0.92 0.00 0.00 0.00 179.25 178.91 1ndf h TYR 263 N 0.63 0.12 -0.97 0.00 3.20 0.06 0.11 116.97 120.12 1ndf h TYR 263 Ca 0.13 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.06 1ndf h TYR 263 Cb 0.34 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 1ndf h TYR 263 CO 0.01 0.34 0.62 -0.97 -1.64 0.00 0.00 178.16 176.53 1ndf h ASN 264 N -0.13 0.97 -0.10 -2.11 -0.73 -1.26 -1.86 115.58 110.35 1ndf h ASN 264 Ca 0.02 0.02 -0.19 0.00 1.87 0.00 0.00 56.30 58.02 1ndf h ASN 264 Cb 0.29 -0.18 0.01 0.00 0.27 0.00 0.00 38.32 38.71 1ndf h ASN 264 CO 0.00 0.59 -0.69 -1.13 -0.37 0.00 0.00 177.43 175.83 1ndf h ASN 265 N 1.09 0.79 -0.65 1.15 -1.24 -1.22 -3.29 115.58 112.21 1ndf h ASN 265 Ca 0.44 -0.66 0.10 0.00 0.71 0.00 0.00 56.30 56.89 1ndf h ASN 265 Cb 0.25 -0.23 -0.07 0.00 0.73 0.00 0.00 38.32 38.99 1ndf h ASN 265 CO -0.20 1.32 0.27 0.25 -1.29 0.00 0.00 177.43 177.78 1ndf h LEU 266 N 0.31 0.29 -1.08 0.34 5.85 -0.18 -2.30 115.31 118.55 1ndf h LEU 266 Ca -0.06 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ndf h LEU 266 Cb 1.34 0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.41 1ndf h LEU 266 CO 0.14 0.17 0.00 2.30 -0.34 0.00 0.00 178.44 180.71 1ndf n ILE 267 N -4.96 0.42 -0.11 4.05 -5.35 -0.76 -3.77 119.36 108.89 1ndf n ILE 267 Ca 0.10 -0.27 -0.13 0.00 -0.27 0.00 0.00 62.75 62.18 1ndf n ILE 267 Cb 0.29 -0.15 -0.03 0.00 -1.74 0.00 0.00 39.64 38.00 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 0.96 0.79 -6.68 6.28 1.57 -1.49 -3.40 116.57 114.60 1ndf h LYS 268 Ca 0.00 -0.41 -0.52 0.00 -1.87 0.00 0.00 60.65 57.85 1ndf h LYS 268 Cb 0.51 0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.87 1ndf h LYS 268 CO 0.05 1.04 0.64 0.34 -0.57 0.00 0.00 179.45 180.96 1ndf s ASP 269 N -6.64 6.91 0.20 0.86 2.15 -1.25 -4.94 116.67 113.97 1ndf s ASP 269 Ca -0.12 2.39 -0.11 0.00 0.43 0.00 0.00 52.55 55.15 1ndf s ASP 269 Cb 0.10 -2.61 0.16 0.00 -0.30 0.00 0.00 42.92 40.26 1ndf s ASP 269 CO 0.85 -0.52 1.86 0.07 -0.17 0.00 0.00 175.17 177.26 1ndf h LYS 270 N 5.33 0.89 -0.35 4.34 2.10 -1.93 -0.36 116.57 126.59 1ndf h LYS 270 Ca -0.45 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.09 1ndf h LYS 270 Cb 1.21 -0.20 -0.01 0.00 -0.90 0.00 0.00 32.23 32.33 1ndf h LYS 270 CO 0.77 0.59 -0.02 0.28 -2.00 0.00 0.00 179.45 179.06 1ndf h VAL 271 N 0.91 1.27 -0.81 0.07 2.07 -1.93 -1.40 116.25 116.43 1ndf h VAL 271 Ca 0.27 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1ndf h VAL 271 Cb -0.06 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1ndf h VAL 271 CO -0.08 0.34 0.52 0.78 0.02 0.00 0.00 177.57 179.16 1ndf h ASN 272 N 0.45 0.94 -0.80 0.57 2.35 -1.71 -0.15 115.58 117.22 1ndf h ASN 272 Ca 0.10 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1ndf h ASN 272 Cb 0.50 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.60 1ndf h ASN 272 CO 0.02 0.69 0.37 -0.09 -1.65 0.00 0.00 177.43 176.78 1ndf h ARG 273 N 1.10 1.17 -0.48 0.81 2.43 -0.84 0.50 114.38 119.07 1ndf h ARG 273 Ca 0.29 -0.18 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1ndf h ARG 273 Cb -0.11 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 1ndf h ARG 273 CO -0.06 0.91 0.02 1.49 -1.51 0.00 0.00 179.97 180.82 1ndf h GLU 274 N 1.16 0.84 -0.28 0.20 4.81 -0.60 0.32 114.58 121.03 1ndf h GLU 274 Ca 0.28 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1ndf h GLU 274 Cb 0.14 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1ndf h GLU 274 CO -0.03 0.87 0.03 0.77 -0.73 0.00 0.00 179.01 179.92 1ndf h SER 275 N 0.70 0.45 -0.80 1.04 0.02 -0.64 -1.12 113.55 113.21 1ndf h SER 275 Ca 0.14 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 1ndf h SER 275 Cb 0.48 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1ndf h SER 275 CO 0.02 0.62 0.42 0.58 -1.14 0.00 0.00 176.83 177.33 1ndf h VAL 276 N 0.27 1.24 -0.81 2.27 2.07 -0.80 -1.78 116.25 118.72 1ndf h VAL 276 Ca 0.08 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1ndf h VAL 276 Cb 0.37 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1ndf h VAL 276 CO 0.01 0.28 0.48 -1.13 0.02 0.00 0.00 177.57 177.22 1ndf h ASN 277 N 1.11 0.98 -0.49 0.57 -0.73 -0.69 -0.81 115.58 115.53 1ndf h ASN 277 Ca 0.28 -0.07 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 1ndf h ASN 277 Cb 0.06 -0.25 -0.02 0.00 0.27 0.00 0.00 38.32 38.38 1ndf h ASN 277 CO -0.04 0.77 0.15 -1.28 -0.37 0.00 0.00 177.43 176.66 1ndf h SER 278 N 1.11 0.71 -0.25 1.15 0.87 -0.82 -1.55 113.55 114.78 1ndf h SER 278 Ca 0.29 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1ndf h SER 278 Cb -0.02 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1ndf h SER 278 CO -0.05 0.72 0.13 0.40 -0.53 0.00 0.00 176.83 177.50 1ndf h ILE 279 N 0.65 1.12 -0.62 2.23 2.04 -0.96 -0.84 117.51 121.14 1ndf h ILE 279 Ca 0.16 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ndf h ILE 279 Cb 0.27 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1ndf h ILE 279 CO -0.01 0.12 0.37 1.56 0.00 0.00 0.00 178.15 180.19 1ndf h GLN 280 N 0.28 0.83 0.00 2.37 4.20 -0.98 -2.70 115.11 119.11 1ndf h GLN 280 Ca 0.09 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1ndf h GLN 280 Cb 0.07 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1ndf h GLN 280 CO -0.01 0.58 -0.50 0.87 -0.67 0.00 0.00 178.83 179.10 1ndf h LYS 281 N 0.85 0.00 -6.57 1.46 1.57 -1.06 -3.37 116.57 109.44 1ndf h LYS 281 Ca 0.22 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.42 1ndf h LYS 281 Cb -0.03 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.42 1ndf h LYS 281 CO -0.04 0.36 -0.06 -1.13 -0.57 0.00 0.00 179.45 178.00 1ndf n SER 282 N -3.15 0.33 -0.35 0.86 3.41 -0.34 -4.69 113.62 109.70 1ndf n SER 282 Ca 0.01 0.93 0.03 0.00 -0.26 0.00 0.00 58.87 59.58 1ndf n SER 282 Cb 0.69 -1.27 0.20 0.00 -0.26 0.00 0.00 64.21 63.57 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 1.02 1.08 -2.23 -1.33 2.04 -1.18 -3.31 117.51 113.61 1ndf h ILE 283 Ca -0.44 -0.39 0.21 0.00 1.00 0.00 0.00 64.86 65.24 1ndf h ILE 283 Cb 1.37 -0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1ndf h ILE 283 CO 0.53 0.21 0.61 0.72 0.00 0.00 0.00 178.15 180.22 1ndf s PHE 284 N -5.99 -0.03 -0.01 1.37 -0.12 -1.26 -0.61 117.98 111.33 1ndf s PHE 284 Ca -0.12 -0.26 0.08 0.00 -0.05 0.00 0.00 56.93 56.58 1ndf s PHE 284 Cb 0.20 0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 43.21 1ndf s PHE 284 CO 0.81 -0.73 -0.24 0.99 -0.05 0.00 0.00 175.22 176.00 1ndf s THR 285 N -2.67 2.21 -0.15 -4.49 2.01 -0.78 -1.77 115.64 109.99 1ndf s THR 285 Ca 0.17 -1.13 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1ndf s THR 285 Cb -0.01 -1.80 0.01 0.00 0.01 0.00 0.00 72.50 70.71 1ndf s THR 285 CO 0.02 0.53 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.58 1ndf s VAL 286 N -0.68 2.16 -0.26 3.82 1.01 -0.45 -0.52 120.40 125.48 1ndf s VAL 286 Ca 0.11 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1ndf s VAL 286 Cb -0.10 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1ndf s VAL 286 CO 0.00 0.54 0.12 0.00 0.00 0.00 0.00 175.10 175.76 1ndf s LEU 288 N 1.68 6.36 0.66 0.00 1.43 -0.18 -1.28 118.68 127.35 1ndf s LEU 288 Ca 0.07 -2.27 -0.14 0.00 -1.03 0.00 0.00 54.13 50.76 1ndf s LEU 288 Cb -0.15 -2.17 -0.00 0.00 0.03 0.00 0.00 46.19 43.89 1ndf s LEU 288 CO 0.07 -0.69 1.08 -1.81 0.23 0.00 0.00 176.35 175.23 1ndf s ASP 289 N 2.71 5.30 0.49 2.29 1.11 -1.00 -4.32 116.67 123.25 1ndf s ASP 289 Ca 0.11 1.83 0.00 0.00 0.18 0.00 0.00 52.55 54.67 1ndf s ASP 289 Cb -0.20 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.27 1ndf s ASP 289 CO -0.03 -1.50 0.71 -1.59 1.18 0.00 0.00 175.17 173.94 1ndf s LYS 290 N -4.42 2.90 0.39 8.23 -2.85 -1.26 -3.88 119.74 118.85 1ndf s LYS 290 Ca 0.63 -0.56 -0.27 0.00 -1.00 0.00 0.00 55.97 54.76 1ndf s LYS 290 Cb -0.17 -2.53 -0.10 0.00 -2.06 0.00 0.00 37.83 32.97 1ndf s LYS 290 CO 0.45 -0.42 1.42 -1.14 0.10 0.00 0.00 175.35 175.76 1ndf s GLN 291 N -4.63 4.04 0.29 1.78 0.74 -1.26 -4.47 119.66 116.15 1ndf s GLN 291 Ca 0.51 2.42 0.07 0.00 0.05 0.00 0.00 55.36 58.41 1ndf s GLN 291 Cb -0.10 -2.89 -0.06 0.00 1.10 0.00 0.00 33.01 31.06 1ndf s GLN 291 CO 0.38 -0.53 -0.06 0.14 -0.55 0.00 0.00 175.29 174.68 1ndf s VAL 292 N -1.16 1.67 0.37 1.34 -7.23 -1.26 -5.03 120.40 109.10 1ndf s VAL 292 Ca 0.54 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 58.30 1ndf s VAL 292 Cb -0.44 -2.47 -0.11 0.00 0.56 0.00 0.00 36.38 33.92 1ndf s VAL 292 CO 0.58 -0.28 1.51 -2.65 -0.31 0.00 0.00 175.10 173.94 1ndf n PRO 293 N -0.60 2.71 -2.66 4.82 -0.02 -1.26 -4.97 135.00 133.02 1ndf n PRO 293 Ca -0.05 0.95 -0.38 0.00 -2.02 0.00 0.00 63.50 62.00 1ndf n PRO 293 Cb 0.63 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 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 -1.96 4.49 0.36 -0.52 3.52 -1.26 -5.05 118.95 118.53 1ndf s ARG 294 Ca 0.54 1.47 0.05 0.00 -0.13 0.00 0.00 55.73 57.66 1ndf s ARG 294 Cb -0.47 -2.83 -0.07 0.00 -1.56 0.00 0.00 34.95 30.02 1ndf s ARG 294 CO 0.62 0.16 0.05 0.14 -0.81 0.00 0.00 175.30 175.46 1ndf s VAL 295 N -1.52 1.41 0.61 7.11 -7.23 -1.26 -5.13 120.40 114.39 1ndf s VAL 295 Ca 0.51 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.50 1ndf s VAL 295 Cb -0.22 -2.82 -0.03 0.00 0.56 0.00 0.00 36.38 33.87 1ndf s VAL 295 CO 0.28 0.00 1.14 -0.94 -0.31 0.00 0.00 175.10 175.28 1ndf s SER 296 N -3.57 5.28 0.50 4.85 1.04 -1.26 -4.80 113.70 115.73 1ndf s SER 296 Ca 0.35 2.17 0.21 0.00 0.48 0.00 0.00 55.95 59.16 1ndf s SER 296 Cb 0.09 -2.57 1.28 0.00 0.10 0.00 0.00 66.02 64.91 1ndf s SER 296 CO 0.16 -1.52 1.99 0.44 0.98 0.00 0.00 173.24 175.29 1ndf h ASP 297 N 0.61 0.12 1.17 7.02 3.32 -2.00 -1.65 116.42 125.00 1ndf h ASP 297 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1ndf h ASP 297 Cb 1.27 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ndf h ASP 297 CO 0.55 0.07 0.00 -2.24 -1.72 0.00 0.00 179.24 175.89 1ndf h ASP 298 N 0.13 0.00 -0.05 6.45 2.03 -2.05 -3.07 116.42 119.86 1ndf h ASP 298 Ca 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.55 1ndf h ASP 298 Cb 0.84 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.34 1ndf h ASP 298 CO -0.03 0.00 0.00 1.33 -1.03 0.00 0.00 179.24 179.51 1ndf n VAL 299 N -3.05 0.64 0.14 4.15 0.24 -0.79 -4.81 118.33 114.86 1ndf n VAL 299 Ca 0.01 -0.82 -0.14 0.00 -2.04 0.00 0.00 64.34 61.36 1ndf n VAL 299 Cb 0.34 0.70 -0.06 0.00 -1.47 0.00 0.00 33.84 33.34 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 0.43 -0.85 -0.37 6.34 3.20 -1.23 -1.65 116.97 122.83 1ndf h TYR 300 Ca 0.00 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 1ndf h TYR 300 Cb 0.38 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 1ndf h TYR 300 CO 0.03 -0.43 0.11 0.00 -1.64 0.00 0.00 178.16 176.23 1ndf h ARG 301 N -0.57 0.54 -0.81 1.82 3.08 -1.87 -0.08 114.38 116.49 1ndf h ARG 301 Ca 0.02 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1ndf h ARG 301 Cb 0.58 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1ndf h ARG 301 CO -0.15 0.48 0.53 -0.91 -1.07 0.00 0.00 179.97 178.86 1ndf h ASN 302 N 0.53 0.93 -0.15 7.04 2.35 -1.79 0.25 115.58 124.75 1ndf h ASN 302 Ca 0.13 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.70 1ndf h ASN 302 Cb 0.17 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1ndf h ASN 302 CO -0.01 0.68 -0.42 0.45 -1.65 0.00 0.00 177.43 176.48 1ndf h HIS 303 N 1.10 0.83 -0.46 1.19 3.86 -0.35 -1.75 115.15 119.57 1ndf h HIS 303 Ca 0.30 -0.25 -0.11 0.00 -1.16 0.00 0.00 60.37 59.14 1ndf h HIS 303 Cb -0.12 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.16 1ndf h HIS 303 CO -0.02 0.99 -0.17 0.28 0.86 0.00 0.00 177.93 179.88 1ndf h VAL 304 N 0.56 1.27 -0.93 2.45 2.07 -0.48 -1.06 116.25 120.13 1ndf h VAL 304 Ca 0.04 -1.30 0.01 0.00 0.82 0.00 0.00 66.70 66.27 1ndf h VAL 304 Cb 0.96 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1ndf h VAL 304 CO 0.09 0.45 0.61 0.00 0.02 0.00 0.00 177.57 178.74 1ndf h ALA 305 N 1.02 1.18 -0.56 1.67 0.00 -0.34 -1.04 119.26 121.19 1ndf h ALA 305 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ndf h ALA 305 Cb 0.70 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1ndf h ALA 305 CO 0.05 0.58 0.28 0.78 0.00 0.00 0.00 179.25 180.95 1ndf h GLY 306 N 1.26 0.86 0.95 0.00 0.00 -0.76 0.69 103.07 106.07 1ndf h GLY 306 Ca 0.34 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1ndf h GLY 306 CO -0.07 0.40 0.56 -1.61 0.00 0.00 0.00 176.54 175.81 1ndf h GLN 307 N 0.76 1.09 -0.18 4.80 4.15 -0.30 0.04 115.11 125.47 1ndf h GLN 307 Ca 0.19 -0.07 -0.21 0.00 0.77 0.00 0.00 58.65 59.34 1ndf h GLN 307 Cb 0.10 -0.25 0.01 0.00 0.21 0.00 0.00 27.48 27.55 1ndf h GLN 307 CO -0.03 0.72 -0.71 0.52 -1.93 0.00 0.00 178.83 177.40 1ndf h MET 308 N 1.12 0.78 -0.08 1.69 2.86 -0.86 -1.89 114.93 118.55 1ndf h MET 308 Ca 0.33 -0.59 -0.14 0.00 -2.06 0.00 0.00 59.70 57.23 1ndf h MET 308 Cb -0.07 0.11 0.01 0.00 0.06 0.00 0.00 31.60 31.71 1ndf h MET 308 CO -0.09 1.21 -0.50 1.25 1.06 0.00 0.00 176.91 179.84 1ndf h LEU 309 N 0.55 0.58 0.00 1.22 5.85 -0.60 -3.41 115.31 119.50 1ndf h LEU 309 Ca -0.03 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 58.02 1ndf h LEU 309 Cb 1.33 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1ndf h LEU 309 CO 0.15 1.15 -0.13 0.00 -0.34 0.00 0.00 178.44 179.27 1ndf n HIS 310 N -4.25 0.00 -0.01 1.25 1.44 -0.05 -4.32 115.22 109.27 1ndf n HIS 310 Ca -0.08 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1ndf n HIS 310 Cb 0.60 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.71 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 0.49 0.33 2.22 -1.39 0.00 -0.71 -4.33 105.19 101.80 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 -2.00 2.27 0.00 -0.02 0.00 -1.25 -1.03 105.19 103.16 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 -2.00 2.16 0.30 -0.02 0.00 -1.26 -4.71 105.19 99.66 1ndf n GLY 313 Ca 0.00 -2.17 0.18 0.00 0.00 0.00 0.00 46.02 44.03 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 0.00 1.01 1.61 4.64 -1.91 -1.55 113.55 117.35 1ndf h SER 314 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ndf h SER 314 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ndf h SER 314 CO 0.00 0.03 -0.36 2.29 -0.87 0.00 0.00 176.83 177.92 1ndf n LYS 315 N -3.40 0.21 0.00 4.77 2.85 -1.26 -4.82 118.16 116.52 1ndf n LYS 315 Ca -0.02 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 1ndf n LYS 315 Cb 0.14 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 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 -2.01 0.00 -0.11 5.58 3.01 -0.60 -5.04 117.46 118.30 1ndf n PHE 316 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1ndf n PHE 316 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 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 1.62 0.25 4.37 3.02 -0.19 -4.71 115.26 119.62 1ndf n ASN 317 Ca 0.00 -1.72 0.10 0.00 -0.03 0.00 0.00 54.58 52.92 1ndf n ASN 317 Cb 0.00 0.00 0.66 0.00 -0.61 0.00 0.00 39.78 39.83 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 1.04 6.41 0.02 -1.31 -1.11 113.55 118.60 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 0.11 -0.13 0.61 -1.14 0.00 0.00 176.83 176.29 1ndf n GLY 319 N -1.00 -1.51 2.61 -3.77 0.00 -1.26 -3.87 105.19 96.39 1ndf n GLY 319 Ca -0.02 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.75 6.82 -3.93 1.61 5.15 -0.42 -4.26 115.26 118.49 1ndf n ASN 320 Ca 0.06 -3.38 -0.09 0.00 -0.60 0.00 0.00 54.58 50.57 1ndf n ASN 320 Cb 0.37 -1.19 -0.05 0.00 -0.53 0.00 0.00 39.78 38.38 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 -2.38 1.50 -0.37 1.20 1.81 -1.25 -4.81 118.95 114.65 1ndf s ARG 321 Ca 0.57 -1.13 0.02 0.00 -1.72 0.00 0.00 55.73 53.47 1ndf s ARG 321 Cb 0.39 0.49 0.15 0.00 -0.45 0.00 0.00 34.95 35.53 1ndf s ARG 321 CO -0.27 -0.63 0.34 -0.46 -0.68 0.00 0.00 175.30 173.60 1ndf s TRP 322 N -3.97 -0.05 -0.85 -0.53 -0.11 -1.26 -4.28 118.94 107.88 1ndf s TRP 322 Ca 0.18 -1.04 0.11 0.00 1.22 0.00 0.00 56.10 56.57 1ndf s TRP 322 Cb -0.01 -0.52 0.51 0.00 -1.50 0.00 0.00 33.47 31.95 1ndf s TRP 322 CO 0.05 -0.94 1.36 1.19 -4.62 0.00 0.00 176.95 173.99 1ndf n PHE 323 N 4.15 0.18 0.23 5.86 3.01 -1.26 -1.47 117.46 128.16 1ndf n PHE 323 Ca 0.12 0.08 0.13 0.00 1.01 0.00 0.00 57.45 58.79 1ndf n PHE 323 Cb 0.43 -0.63 0.26 0.00 -0.01 0.00 0.00 39.48 39.53 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 -3.47 4.37 3.32 -1.87 -3.44 116.42 115.33 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 0.15 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.76 1ndf h ASP 324 CO 0.00 0.02 0.74 -0.75 -1.72 0.00 0.00 179.24 177.54 1ndf s LYS 325 N -3.29 4.27 0.12 3.56 2.47 -0.54 -0.85 119.74 125.48 1ndf s LYS 325 Ca 0.06 2.30 -0.18 0.00 -1.56 0.00 0.00 55.97 56.59 1ndf s LYS 325 Cb 0.06 -3.10 -0.04 0.00 -1.46 0.00 0.00 37.83 33.29 1ndf s LYS 325 CO 0.65 -0.39 1.69 1.15 0.16 0.00 0.00 175.35 178.61 1ndf h THR 326 N 3.46 1.16 -3.12 3.43 2.02 -1.85 -3.31 112.91 114.69 1ndf h THR 326 Ca -0.47 -0.46 -0.62 0.00 0.77 0.00 0.00 66.41 65.64 1ndf h THR 326 Cb 1.22 0.88 -0.35 0.00 -1.74 0.00 0.00 68.15 68.16 1ndf h THR 326 CO 0.76 0.16 -0.84 -0.76 0.37 0.00 0.00 175.52 175.21 1ndf s LEU 327 N -9.90 1.83 -0.17 2.58 1.43 -1.26 -1.52 118.68 111.67 1ndf s LEU 327 Ca -0.13 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1ndf s LEU 327 Cb 0.09 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 45.08 1ndf s LEU 327 CO 0.73 -0.03 -0.11 -1.10 0.23 0.00 0.00 176.35 176.07 1ndf s GLN 328 N 1.35 2.04 -0.19 1.70 -0.21 -0.99 -1.87 119.66 121.49 1ndf s GLN 328 Ca 0.03 -0.67 -0.12 0.00 0.02 0.00 0.00 55.36 54.62 1ndf s GLN 328 Cb -0.13 -2.21 -0.05 0.00 1.00 0.00 0.00 33.01 31.62 1ndf s GLN 328 CO -0.10 -0.35 0.23 -0.06 -2.12 0.00 0.00 175.29 172.89 1ndf s PHE 329 N 1.47 3.40 -0.16 0.91 0.40 0.32 -1.79 117.98 122.53 1ndf s PHE 329 Ca 0.02 0.44 -0.01 0.00 -0.60 0.00 0.00 56.93 56.77 1ndf s PHE 329 Cb -0.15 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.07 1ndf s PHE 329 CO -0.09 0.18 -0.10 0.42 0.70 0.00 0.00 175.22 176.33 1ndf s ILE 330 N 0.69 3.16 -0.29 0.64 1.01 0.31 0.24 121.20 126.95 1ndf s ILE 330 Ca 0.12 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1ndf s ILE 330 Cb -0.13 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 40.04 1ndf s ILE 330 CO 0.03 0.49 -0.03 -0.69 0.00 0.00 0.00 174.94 174.75 1ndf s VAL 331 N 0.72 2.65 0.67 2.92 1.01 -0.41 -1.26 120.40 126.70 1ndf s VAL 331 Ca -0.05 -1.59 -0.12 0.00 0.00 0.00 0.00 61.98 60.22 1ndf s VAL 331 Cb -0.15 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 1ndf s VAL 331 CO 0.02 -0.15 1.06 0.00 0.00 0.00 0.00 175.10 176.03 1ndf s ALA 332 N 1.16 2.66 0.33 5.51 0.00 0.09 -2.37 121.76 129.15 1ndf s ALA 332 Ca -0.05 0.20 0.05 0.00 0.00 0.00 0.00 51.96 52.16 1ndf s ALA 332 Cb -0.20 -3.20 0.57 0.00 0.00 0.00 0.00 23.12 20.29 1ndf s ALA 332 CO -0.03 -1.15 1.82 1.49 0.00 0.00 0.00 175.76 177.88 1ndf h GLU 333 N -0.41 0.40 -0.51 0.00 4.22 -1.78 -3.15 114.58 113.35 1ndf h GLU 333 Ca -0.45 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 58.88 1ndf h GLU 333 Cb 1.22 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ndf h GLU 333 CO 0.56 0.56 0.00 -0.40 -2.18 0.00 0.00 179.01 177.55 1ndf n ASP 334 N -4.20 2.65 0.00 1.04 5.75 -1.26 -4.71 116.55 115.82 1ndf n ASP 334 Ca 0.00 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 1ndf n ASP 334 Cb 0.33 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1ndf n ASP 334 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ndf n GLY 335 N 0.99 2.95 3.76 6.12 0.00 -1.19 -4.93 105.19 112.90 1ndf n GLY 335 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.79 4.36 0.12 1.61 0.01 -1.26 -0.57 113.70 117.18 1ndf s SER 336 Ca 0.00 1.84 -0.25 0.00 1.31 0.00 0.00 55.95 58.86 1ndf s SER 336 Cb 0.00 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.78 1ndf s SER 336 CO 0.00 -2.13 0.62 0.00 0.41 0.00 0.00 173.24 172.14 1ndf n GLY 338 N -0.16 0.88 3.83 0.00 0.00 -0.39 -0.89 105.19 108.46 1ndf n GLY 338 Ca -0.17 -0.39 -0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 1.61 1.96 -0.13 1.61 0.23 -0.51 -0.53 119.30 123.54 1ndf s MET 339 Ca 0.00 -1.18 -0.06 0.00 -1.03 0.00 0.00 55.69 53.43 1ndf s MET 339 Cb 0.00 0.61 0.06 0.00 -1.53 0.00 0.00 34.83 33.97 1ndf s MET 339 CO 0.00 -0.90 0.29 0.54 -2.03 0.00 0.00 175.02 172.91 1ndf s VAL 340 N -3.29 -0.16 0.04 5.16 0.11 -0.74 -0.06 120.40 121.45 1ndf s VAL 340 Ca 0.13 0.17 0.08 0.00 -2.93 0.00 0.00 61.98 59.44 1ndf s VAL 340 Cb -0.05 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.32 1ndf s VAL 340 CO 0.09 0.07 -0.23 -0.72 -3.33 0.00 0.00 175.10 170.98 1ndf s TYR 341 N 1.65 2.42 -0.16 1.54 -0.85 -0.92 -2.34 117.35 118.69 1ndf s TYR 341 Ca -0.06 -0.35 -0.29 0.00 -0.52 0.00 0.00 57.07 55.84 1ndf s TYR 341 Cb -0.11 -1.43 -0.01 0.00 0.38 0.00 0.00 41.96 40.80 1ndf s TYR 341 CO -0.09 0.17 1.13 -2.00 -1.52 0.00 0.00 175.55 173.24 1ndf s GLU 342 N -1.29 4.30 0.57 -3.49 -6.30 -0.58 -3.35 118.70 108.56 1ndf s GLU 342 Ca 0.13 1.51 0.35 0.00 -2.50 0.00 0.00 54.97 54.46 1ndf s GLU 342 Cb -0.10 -3.65 1.54 0.00 0.00 0.00 0.00 34.13 31.93 1ndf s GLU 342 CO 0.03 -0.57 2.05 1.25 0.02 0.00 0.00 175.26 178.04 1ndf h HIS 343 N 7.62 0.00 -0.94 5.30 -0.00 -1.86 -3.27 115.15 122.01 1ndf h HIS 343 Ca -0.26 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.14 1ndf h HIS 343 Cb 1.11 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.46 1ndf h HIS 343 CO 0.76 0.01 0.61 0.00 -0.00 0.00 0.00 177.93 179.31 1ndf h ALA 344 N 1.99 1.22 0.00 5.26 0.00 -1.94 -3.06 119.26 122.73 1ndf h ALA 344 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ndf h ALA 344 Cb 0.43 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ndf h ALA 344 CO 0.00 0.51 -0.41 0.00 0.00 0.00 0.00 179.25 179.35 1ndf h ALA 345 N 1.37 0.78 -3.28 0.00 0.00 -1.90 -3.49 119.26 112.73 1ndf h ALA 345 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.14 1ndf h ALA 345 Cb -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1ndf h ALA 345 CO -0.11 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.17 1ndf n ALA 346 N -2.03 -0.76 -2.55 0.00 0.00 -1.16 -4.57 120.51 109.44 1ndf n ALA 346 Ca 0.03 -1.13 -0.25 0.00 0.00 0.00 0.00 53.44 52.08 1ndf n ALA 346 Cb 0.51 0.91 -0.10 0.00 0.00 0.00 0.00 19.45 20.76 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 -2.37 1.84 0.07 0.00 0.41 -1.26 -4.76 118.70 112.63 1ndf s GLU 347 Ca 0.18 -2.05 -0.33 0.00 -0.41 0.00 0.00 54.97 52.35 1ndf s GLU 347 Cb -0.02 -1.26 -0.17 0.00 -1.78 0.00 0.00 34.13 30.90 1ndf s GLU 347 CO 0.13 -0.15 1.51 0.78 -0.49 0.00 0.00 175.26 177.04 1ndf h GLY 348 N 1.89 -1.25 -0.65 -1.39 0.00 -1.99 -3.23 103.07 96.45 1ndf h GLY 348 Ca -0.42 0.53 0.25 0.00 0.00 0.00 0.00 47.33 47.69 1ndf h GLY 348 CO 0.75 -0.41 0.15 -2.55 0.00 0.00 0.00 176.54 174.47 1ndf h PRO 349 N -1.06 0.11 -0.53 4.80 0.11 -1.94 0.51 132.00 134.00 1ndf h PRO 349 Ca -0.09 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 1ndf h PRO 349 Cb 0.87 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 1ndf h PRO 349 CO 0.06 0.07 0.05 -1.35 -0.21 0.00 0.00 178.00 176.62 1ndf h PRO 350 N 0.11 0.87 -0.62 1.05 0.11 -1.97 -0.62 132.00 130.93 1ndf h PRO 350 Ca 0.57 -0.22 -0.07 0.00 0.11 0.00 0.00 66.00 66.38 1ndf h PRO 350 Cb 1.17 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1ndf h PRO 350 CO -0.76 0.84 0.09 0.82 -0.21 0.00 0.00 178.00 178.78 1ndf h ILE 351 N 0.81 1.26 -0.11 4.15 1.08 -0.97 -2.45 117.51 121.28 1ndf h ILE 351 Ca 0.16 -1.01 -0.14 0.00 -0.39 0.00 0.00 64.86 63.49 1ndf h ILE 351 Cb 0.42 0.68 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 1ndf h ILE 351 CO 0.01 0.37 -0.53 -0.37 -0.69 0.00 0.00 178.15 176.94 1ndf h VAL 352 N 0.95 1.35 -0.73 1.67 -1.51 -0.71 -0.23 116.25 117.05 1ndf h VAL 352 Ca 0.19 -1.81 0.02 0.00 -1.23 0.00 0.00 66.70 63.87 1ndf h VAL 352 Cb 0.43 1.85 -0.04 0.00 -2.13 0.00 0.00 31.29 31.40 1ndf h VAL 352 CO 0.01 0.54 0.47 0.00 -1.23 0.00 0.00 177.57 177.37 1ndf h ALA 353 N 1.19 0.93 -0.07 5.19 0.00 -0.84 0.34 119.26 126.00 1ndf h ALA 353 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ndf h ALA 353 Cb 1.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ndf h ALA 353 CO 0.09 0.31 -0.02 1.25 0.00 0.00 0.00 179.25 180.88 1ndf h LEU 354 N 0.96 0.13 -0.08 0.00 6.46 -1.16 -2.72 115.31 118.89 1ndf h LEU 354 Ca 0.28 -0.37 0.04 0.00 -0.12 0.00 0.00 57.88 57.70 1ndf h LEU 354 Cb -0.07 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 39.78 1ndf h LEU 354 CO -0.08 0.47 -0.17 0.58 -0.62 0.00 0.00 178.44 178.62 1ndf h VAL 355 N -0.21 0.57 -0.91 1.05 2.07 -0.49 0.31 116.25 118.64 1ndf h VAL 355 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1ndf h VAL 355 Cb 0.41 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1ndf h VAL 355 CO 0.01 0.00 0.59 0.44 0.02 0.00 0.00 177.57 178.62 1ndf h ASP 356 N -0.24 0.97 -0.34 0.57 3.32 -0.39 -0.49 116.42 119.82 1ndf h ASP 356 Ca 0.08 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1ndf h ASP 356 Cb 0.35 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1ndf h ASP 356 CO -0.22 0.66 0.02 -0.74 -1.72 0.00 0.00 179.24 177.23 1ndf h HIS 357 N 1.13 0.63 -0.01 4.55 2.76 -1.12 -2.44 115.15 120.64 1ndf h HIS 357 Ca 0.37 -0.10 -0.00 0.00 -2.20 0.00 0.00 60.37 58.43 1ndf h HIS 357 Cb 0.03 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 1ndf h HIS 357 CO -0.02 0.68 -0.00 0.28 -1.30 0.00 0.00 177.93 177.58 1ndf h VAL 358 N 0.40 1.27 -0.79 5.26 2.07 -0.52 -1.52 116.25 122.42 1ndf h VAL 358 Ca 0.10 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1ndf h VAL 358 Cb 0.42 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 1ndf h VAL 358 CO 0.01 0.21 0.50 0.24 0.02 0.00 0.00 177.57 178.55 1ndf h MET 359 N -0.30 0.94 -0.68 1.57 2.07 -1.15 -0.42 114.93 116.96 1ndf h MET 359 Ca 0.00 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1ndf h MET 359 Cb 0.34 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 29.82 1ndf h MET 359 CO 0.00 0.63 0.41 1.49 1.07 0.00 0.00 176.91 180.51 1ndf h GLU 360 N 0.97 0.92 -0.26 1.72 4.81 -1.41 -2.34 114.58 118.98 1ndf h GLU 360 Ca 0.32 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1ndf h GLU 360 Cb 0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1ndf h GLU 360 CO -0.11 0.65 -0.00 -0.92 -0.73 0.00 0.00 179.01 177.89 1ndf h TYR 361 N 0.92 0.40 0.00 0.92 5.03 -0.17 -1.42 116.97 122.65 1ndf h TYR 361 Ca 0.24 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.52 1ndf h TYR 361 Cb -0.03 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.13 1ndf h TYR 361 CO -0.02 0.41 0.00 0.25 -1.32 0.00 0.00 178.16 177.49 1ndf n THR 362 N -4.32 0.66 0.91 1.81 -2.24 -0.28 -2.56 114.28 108.26 1ndf n THR 362 Ca 0.01 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.07 1ndf n THR 362 Cb 0.22 -0.84 0.24 0.00 -2.10 0.00 0.00 70.33 67.84 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 -1.48 0.06 -1.79 -0.78 4.76 -0.54 -4.96 118.16 113.44 1ndf n LYS 363 Ca 0.05 0.01 -0.38 0.00 -2.87 0.00 0.00 58.31 55.12 1ndf n LYS 363 Cb 0.22 -1.53 0.05 0.00 -1.84 0.00 0.00 35.03 31.92 1ndf n LYS 363 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1ndf s LYS 364 N -3.04 3.01 0.51 1.97 1.02 -1.06 -4.96 119.74 117.20 1ndf s LYS 364 Ca 0.10 2.18 -0.22 0.00 0.02 0.00 0.00 55.97 58.05 1ndf s LYS 364 Cb 0.17 -2.15 -0.06 0.00 -0.52 0.00 0.00 37.83 35.26 1ndf s LYS 364 CO 0.70 -1.28 1.28 -2.14 -0.92 0.00 0.00 175.35 173.00 1ndf s PRO 365 N -3.03 3.39 0.49 -1.68 0.02 -1.26 -4.95 135.00 127.99 1ndf s PRO 365 Ca 0.74 2.06 -0.22 0.00 0.02 0.00 0.00 61.00 63.59 1ndf s PRO 365 Cb -0.39 -2.32 -0.06 0.00 0.02 0.00 0.00 34.50 31.74 1ndf s PRO 365 CO 0.45 -0.93 1.23 -1.21 -0.33 0.00 0.00 177.00 176.21 1ndf s GLU 366 N -2.81 3.54 0.45 5.54 0.41 -1.26 -5.03 118.70 119.54 1ndf s GLU 366 Ca 0.68 1.92 0.08 0.00 -0.41 0.00 0.00 54.97 57.24 1ndf s GLU 366 Cb -0.36 -2.35 0.01 0.00 -1.78 0.00 0.00 34.13 29.66 1ndf s GLU 366 CO 0.43 -0.77 0.52 -0.51 -0.49 0.00 0.00 175.26 174.43 1ndf s LEU 367 N -3.21 3.42 -1.29 1.80 1.43 -1.26 -5.01 118.68 114.56 1ndf s LEU 367 Ca 0.66 -0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 52.97 1ndf s LEU 367 Cb -0.32 -2.20 0.12 0.00 0.03 0.00 0.00 46.19 43.81 1ndf s LEU 367 CO 0.39 -0.82 1.72 0.52 0.23 0.00 0.00 176.35 178.39 1ndf n VAL 368 N -1.79 4.06 -1.74 -1.59 0.31 -1.26 -4.97 118.33 111.35 1ndf n VAL 368 Ca 0.07 -4.23 -0.42 0.00 -0.01 0.00 0.00 64.34 59.74 1ndf n VAL 368 Cb 0.61 -2.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.08 1ndf n VAL 368 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ndf s ARG 369 N 2.41 4.14 0.90 5.55 1.81 -1.26 -4.99 118.95 127.51 1ndf s ARG 369 Ca 0.46 2.58 -0.15 0.00 -1.72 0.00 0.00 55.73 56.91 1ndf s ARG 369 Cb 0.04 -3.26 0.23 0.00 -0.45 0.00 0.00 34.95 31.51 1ndf s ARG 369 CO 0.01 -0.77 0.59 0.43 -0.68 0.00 0.00 175.30 174.88 1ndf n SER 370 N 4.59 -2.96 -4.70 0.23 7.64 -1.26 -4.94 113.62 112.22 1ndf n SER 370 Ca 0.16 -0.66 -0.37 0.00 1.01 0.00 0.00 58.87 59.02 1ndf n SER 370 Cb 0.36 -0.64 0.06 0.00 -1.01 0.00 0.00 64.21 62.99 1ndf n SER 370 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1ndf n PRO 371 N -4.23 1.10 -2.41 1.43 -0.02 -1.26 -4.95 135.00 124.66 1ndf n PRO 371 Ca 0.09 0.43 -0.40 0.00 -2.02 0.00 0.00 63.50 61.60 1ndf n PRO 371 Cb 0.38 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1ndf n PRO 371 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1ndf s MET 372 N -3.21 4.59 0.20 -0.52 1.75 -1.26 -5.04 119.30 115.81 1ndf s MET 372 Ca 0.81 1.88 0.06 0.00 -1.25 0.00 0.00 55.69 57.19 1ndf s MET 372 Cb -0.39 -3.17 -0.04 0.00 2.84 0.00 0.00 34.83 34.07 1ndf s MET 372 CO 0.42 0.14 0.14 0.14 -0.65 0.00 0.00 175.02 175.21 1ndf s VAL 373 N -1.13 4.36 0.47 10.11 -7.23 -1.26 -5.07 120.40 120.65 1ndf s VAL 373 Ca 0.45 -1.27 -0.25 0.00 -1.81 0.00 0.00 61.98 59.10 1ndf s VAL 373 Cb -0.33 -3.28 -0.08 0.00 0.56 0.00 0.00 36.38 33.25 1ndf s VAL 373 CO 0.43 -0.22 1.42 -2.84 -0.31 0.00 0.00 175.10 173.58 1ndf s PRO 374 N -3.41 3.58 0.05 4.82 0.02 -1.26 -5.01 135.00 133.79 1ndf s PRO 374 Ca 0.31 2.39 0.04 0.00 0.02 0.00 0.00 61.00 63.77 1ndf s PRO 374 Cb -0.09 -2.58 -0.02 0.00 0.02 0.00 0.00 34.50 31.83 1ndf s PRO 374 CO 0.23 -0.89 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.38 1ndf s LEU 375 N -2.87 2.21 0.77 -5.54 1.43 -1.26 -5.15 118.68 108.27 1ndf s LEU 375 Ca 0.63 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.12 1ndf s LEU 375 Cb -0.43 -0.46 0.05 0.00 0.03 0.00 0.00 46.19 45.38 1ndf s LEU 375 CO 0.55 -0.05 1.09 -2.16 0.23 0.00 0.00 176.35 176.01 1ndf s PRO 376 N -1.32 2.30 -0.20 1.29 0.04 -1.26 -5.00 135.00 130.85 1ndf s PRO 376 Ca -0.02 0.74 -0.28 0.00 0.04 0.00 0.00 61.00 61.48 1ndf s PRO 376 Cb -0.08 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1ndf s PRO 376 CO 0.01 -1.49 0.99 1.41 0.04 0.00 0.00 177.00 177.96 1ndf s MET 377 N -5.12 4.29 0.43 4.56 -2.45 -1.26 -5.00 119.30 114.76 1ndf s MET 377 Ca 0.60 1.29 -0.24 0.00 -1.25 0.00 0.00 55.69 56.08 1ndf s MET 377 Cb -0.14 -3.61 -0.10 0.00 1.25 0.00 0.00 34.83 32.22 1ndf s MET 377 CO 0.55 -0.52 1.11 -2.30 1.05 0.00 0.00 175.02 174.90 1ndf n PRO 378 N 5.90 1.54 -2.75 4.11 -0.02 -1.26 -4.91 135.00 137.60 1ndf n PRO 378 Ca 0.10 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 1ndf n PRO 378 Cb 0.47 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1ndf n PRO 378 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1ndf s LYS 379 N -2.13 4.34 -0.05 -0.52 -0.14 -0.83 -4.87 119.74 115.54 1ndf s LYS 379 Ca 0.63 1.25 -0.30 0.00 -1.36 0.00 0.00 55.97 56.19 1ndf s LYS 379 Cb -0.53 -3.58 -0.02 0.00 -1.68 0.00 0.00 37.83 32.02 1ndf s LYS 379 CO 0.57 -0.40 1.00 0.21 -0.76 0.00 0.00 175.35 175.97 1ndf s LYS 380 N 2.35 4.48 -0.91 1.68 2.20 -1.26 0.27 119.74 128.55 1ndf s LYS 380 Ca 0.44 1.42 -0.16 0.00 -0.36 0.00 0.00 55.97 57.30 1ndf s LYS 380 Cb -0.17 -3.50 0.17 0.00 -1.51 0.00 0.00 37.83 32.82 1ndf s LYS 380 CO 0.13 -0.20 0.99 -0.51 -0.36 0.00 0.00 175.35 175.41 1ndf s LEU 381 N 1.55 5.81 0.75 5.43 1.43 0.64 -4.93 118.68 129.36 1ndf s LEU 381 Ca 0.50 -2.42 -0.11 0.00 -1.03 0.00 0.00 54.13 51.08 1ndf s LEU 381 Cb -0.20 -2.31 0.04 0.00 0.03 0.00 0.00 46.19 43.75 1ndf s LEU 381 CO 0.23 -0.82 1.08 -0.13 0.23 0.00 0.00 176.35 176.94 1ndf s ARG 382 N 1.44 2.49 -0.05 1.70 0.52 -1.26 -4.39 118.95 119.40 1ndf s ARG 382 Ca 0.27 0.88 0.01 0.00 -0.52 0.00 0.00 55.73 56.37 1ndf s ARG 382 Cb -0.07 -1.95 0.02 0.00 0.52 0.00 0.00 34.95 33.48 1ndf s ARG 382 CO -0.09 -1.39 -0.05 -0.06 0.02 0.00 0.00 175.30 173.73 1ndf s PHE 383 N -3.05 0.83 -0.28 -0.53 0.08 -1.26 -4.43 117.98 109.33 1ndf s PHE 383 Ca 0.60 -0.25 -0.21 0.00 0.12 0.00 0.00 56.93 57.19 1ndf s PHE 383 Cb -0.15 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.55 1ndf s PHE 383 CO 0.55 -0.23 0.64 -0.80 -0.10 0.00 0.00 175.22 175.28 1ndf s ASN 384 N 1.09 6.55 -0.10 1.36 0.01 -1.26 -5.04 114.94 117.55 1ndf s ASN 384 Ca -0.08 0.58 -0.15 0.00 -0.71 0.00 0.00 52.86 52.50 1ndf s ASN 384 Cb -0.14 -2.34 -0.05 0.00 0.41 0.00 0.00 41.25 39.13 1ndf s ASN 384 CO -0.01 -0.44 0.37 -0.63 -1.51 0.00 0.00 177.10 174.88 1ndf s ILE 385 N 2.59 5.20 0.36 0.60 -1.09 -1.26 -5.00 121.20 122.60 1ndf s ILE 385 Ca 0.26 0.73 0.09 0.00 -2.23 0.00 0.00 60.65 59.50 1ndf s ILE 385 Cb -0.15 -3.69 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 1ndf s ILE 385 CO 0.10 0.44 -0.04 0.42 -1.23 0.00 0.00 174.94 174.64 1ndf s THR 386 N -0.05 2.26 0.34 2.92 -4.23 -1.26 -4.99 115.64 110.64 1ndf s THR 386 Ca 0.21 -2.10 0.07 0.00 -1.18 0.00 0.00 61.69 58.69 1ndf s THR 386 Cb -0.15 -2.77 0.31 0.00 1.34 0.00 0.00 72.50 71.24 1ndf s THR 386 CO 0.09 -0.15 1.88 -0.65 -0.54 0.00 0.00 174.62 175.25 1ndf h PRO 387 N 1.90 0.75 -0.07 3.99 0.11 -1.99 -0.60 132.00 136.09 1ndf h PRO 387 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1ndf h PRO 387 Cb 1.25 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ndf h PRO 387 CO 0.72 0.49 0.02 1.49 -0.21 0.00 0.00 178.00 180.51 1ndf h GLU 388 N 0.77 0.11 -0.72 1.05 4.81 -1.99 -0.61 114.58 118.00 1ndf h GLU 388 Ca 0.43 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1ndf h GLU 388 Cb 0.59 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1ndf h GLU 388 CO -0.20 0.30 0.44 0.82 -0.73 0.00 0.00 179.01 179.64 1ndf h ILE 389 N -0.10 1.20 -0.77 2.32 2.04 -1.82 -0.55 117.51 119.83 1ndf h ILE 389 Ca 0.02 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1ndf h ILE 389 Cb 0.24 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1ndf h ILE 389 CO 0.00 0.21 0.40 0.50 0.00 0.00 0.00 178.15 179.26 1ndf h LYS 390 N 0.98 1.09 -0.45 2.37 3.64 -0.97 0.15 116.57 123.37 1ndf h LYS 390 Ca 0.26 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1ndf h LYS 390 Cb -0.04 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1ndf h LYS 390 CO -0.05 0.81 0.14 -0.97 -2.27 0.00 0.00 179.45 177.11 1ndf h ASN 391 N 1.09 0.66 -0.95 4.20 -1.24 -0.35 -1.35 115.58 117.64 1ndf h ASN 391 Ca 0.27 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.07 1ndf h ASN 391 Cb 0.06 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 38.89 1ndf h ASN 391 CO -0.04 0.70 0.59 0.44 -1.29 0.00 0.00 177.43 177.83 1ndf h ASP 392 N 0.59 1.12 -0.41 1.15 3.32 -0.36 -0.74 116.42 121.08 1ndf h ASP 392 Ca 0.14 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1ndf h ASP 392 Cb 0.28 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1ndf h ASP 392 CO -0.00 0.84 0.17 0.40 -1.72 0.00 0.00 179.24 178.93 1ndf h ILE 393 N 1.30 1.19 -0.73 0.35 2.04 -0.66 -0.29 117.51 120.71 1ndf h ILE 393 Ca 0.34 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.56 1ndf h ILE 393 Cb -0.09 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 1ndf h ILE 393 CO -0.07 0.22 0.25 -0.33 0.00 0.00 0.00 178.15 178.21 1ndf h GLU 394 N 0.53 1.12 -0.41 2.37 4.39 -0.82 0.17 114.58 121.93 1ndf h GLU 394 Ca 0.14 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 1ndf h GLU 394 Cb 0.18 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1ndf h GLU 394 CO -0.01 0.94 -0.13 0.87 -1.16 0.00 0.00 179.01 179.52 1ndf h LYS 395 N 1.08 0.74 -0.61 2.33 1.79 -0.92 -1.73 116.57 119.25 1ndf h LYS 395 Ca 0.24 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.37 1ndf h LYS 395 Cb 0.28 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1ndf h LYS 395 CO -0.01 0.84 0.02 0.00 -1.08 0.00 0.00 179.45 179.22 1ndf h ALA 396 N 1.19 0.87 -0.44 3.86 0.00 -0.38 -1.09 119.26 123.26 1ndf h ALA 396 Ca 0.11 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ndf h ALA 396 Cb 0.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1ndf h ALA 396 CO 0.04 0.67 0.29 0.87 0.00 0.00 0.00 179.25 181.11 1ndf h LYS 397 N 0.98 0.57 -0.24 0.00 1.57 -0.61 -1.43 116.57 117.41 1ndf h LYS 397 Ca 0.18 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ndf h LYS 397 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1ndf h LYS 397 CO 0.03 0.38 0.14 1.96 -0.57 0.00 0.00 179.45 181.39 1ndf h GLN 398 N 0.59 0.34 -0.35 3.15 4.20 -1.07 -1.79 115.11 120.17 1ndf h GLN 398 Ca 0.17 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1ndf h GLN 398 Cb -0.05 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1ndf h GLN 398 CO -0.04 0.28 0.23 -0.97 -0.67 0.00 0.00 178.83 177.66 1ndf h ASN 399 N 0.30 0.41 -0.38 1.46 -1.24 -0.98 -2.70 115.58 112.45 1ndf h ASN 399 Ca 0.09 -0.01 -0.07 0.00 0.71 0.00 0.00 56.30 57.02 1ndf h ASN 399 Cb 0.04 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 38.97 1ndf h ASN 399 CO -0.02 0.30 0.00 0.25 -1.29 0.00 0.00 177.43 176.67 1ndf h LEU 400 N 0.48 0.72 -0.80 0.34 5.85 -1.18 -2.11 115.31 118.61 1ndf h LEU 400 Ca 0.13 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ndf h LEU 400 Cb -0.05 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1ndf h LEU 400 CO -0.03 0.79 0.53 -1.28 -0.34 0.00 0.00 178.44 178.11 1ndf h SER 401 N 0.71 0.91 -0.43 1.25 0.87 -1.05 0.32 113.55 116.13 1ndf h SER 401 Ca 0.14 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1ndf h SER 401 Cb 0.43 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1ndf h SER 401 CO 0.02 0.65 0.05 0.40 -0.53 0.00 0.00 176.83 177.42 1ndf h ILE 402 N 1.07 1.25 -0.33 2.23 2.04 -1.17 -1.29 117.51 121.32 1ndf h ILE 402 Ca 0.30 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.25 1ndf h ILE 402 Cb -0.10 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1ndf h ILE 402 CO -0.07 0.32 0.19 0.24 0.00 0.00 0.00 178.15 178.83 1ndf h MET 403 N 0.57 0.39 -0.38 2.37 2.86 -0.87 -2.61 114.93 117.26 1ndf h MET 403 Ca 0.13 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1ndf h MET 403 Cb 0.40 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 1ndf h MET 403 CO 0.01 0.25 0.04 0.82 1.06 0.00 0.00 176.91 179.10 1ndf h ILE 404 N 0.40 1.25 -0.12 -1.22 2.04 -0.84 -2.68 117.51 116.34 1ndf h ILE 404 Ca 0.13 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.12 1ndf h ILE 404 Cb -0.01 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1ndf h ILE 404 CO -0.06 0.30 0.09 1.56 0.00 0.00 0.00 178.15 180.05 1ndf h GLN 405 N 0.47 0.00 -0.01 2.37 4.20 -1.11 -1.56 115.11 119.48 1ndf h GLN 405 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1ndf h GLN 405 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1ndf h GLN 405 CO 0.01 0.00 -0.14 -3.47 -0.67 0.00 0.00 178.83 174.57 1ndf n ASP 406 N -4.24 0.88 -4.77 1.46 2.03 -1.00 -4.83 116.55 106.08 1ndf n ASP 406 Ca -0.00 -0.92 -0.37 0.00 0.52 0.00 0.00 54.79 54.01 1ndf n ASP 406 Cb 0.21 0.03 -0.06 0.00 -0.72 0.00 0.00 41.12 40.57 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 -2.35 4.33 -0.23 -2.67 2.96 -0.59 -0.48 118.68 119.64 1ndf s LEU 407 Ca 0.30 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 54.96 1ndf s LEU 407 Cb 0.20 -2.52 0.05 0.00 0.50 0.00 0.00 46.19 44.42 1ndf s LEU 407 CO 0.46 0.15 -0.12 -0.62 -1.32 0.00 0.00 176.35 174.90 1ndf s ASP 408 N -0.01 3.93 -0.06 3.68 2.15 0.04 -4.88 116.67 121.51 1ndf s ASP 408 Ca 0.21 -1.14 0.05 0.00 0.43 0.00 0.00 52.55 52.11 1ndf s ASP 408 Cb -0.15 -1.43 -0.01 0.00 -0.30 0.00 0.00 42.92 41.03 1ndf s ASP 408 CO 0.09 -0.15 -0.22 -0.63 -0.17 0.00 0.00 175.17 174.08 1ndf s ILE 409 N 1.23 2.28 -0.10 4.11 1.01 -1.26 -0.36 121.20 128.12 1ndf s ILE 409 Ca -0.05 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 1ndf s ILE 409 Cb -0.18 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.47 1ndf s ILE 409 CO -0.07 0.57 -0.06 -0.32 0.00 0.00 0.00 174.94 175.06 1ndf s MET 410 N -0.19 1.27 -0.14 2.79 1.75 0.96 -4.84 119.30 120.90 1ndf s MET 410 Ca -0.02 -0.16 -0.10 0.00 -1.25 0.00 0.00 55.69 54.16 1ndf s MET 410 Cb -0.13 -1.40 -0.05 0.00 2.84 0.00 0.00 34.83 36.09 1ndf s MET 410 CO 0.03 -0.26 0.19 -1.64 -0.65 0.00 0.00 175.02 172.69 1ndf s MET 411 N 1.73 3.86 -0.10 4.11 -1.94 -1.26 -0.60 119.30 125.11 1ndf s MET 411 Ca 0.04 -0.06 0.01 0.00 -1.71 0.00 0.00 55.69 53.96 1ndf s MET 411 Cb -0.13 -3.31 0.02 0.00 2.01 0.00 0.00 34.83 33.43 1ndf s MET 411 CO -0.07 0.53 -0.10 -1.17 -0.01 0.00 0.00 175.02 174.20 1ndf s LEU 412 N -0.34 1.39 -0.48 -0.03 2.96 -0.10 -4.95 118.68 117.12 1ndf s LEU 412 Ca 0.14 -0.31 -0.13 0.00 -0.22 0.00 0.00 54.13 53.61 1ndf s LEU 412 Cb -0.12 -0.86 0.10 0.00 0.50 0.00 0.00 46.19 45.81 1ndf s LEU 412 CO 0.03 -0.06 0.38 -0.89 -1.32 0.00 0.00 176.35 174.49 1ndf s THR 413 N 1.31 4.82 -0.64 3.68 2.01 -1.26 -0.03 115.64 125.53 1ndf s THR 413 Ca -0.02 -1.38 -0.26 0.00 0.31 0.00 0.00 61.69 60.34 1ndf s THR 413 Cb -0.14 -3.99 0.04 0.00 0.01 0.00 0.00 72.50 68.42 1ndf s THR 413 CO -0.04 -0.67 1.11 0.12 -0.69 0.00 0.00 174.62 174.44 1ndf s PHE 414 N 1.53 2.57 -0.55 4.92 5.36 0.20 -4.87 117.98 127.14 1ndf s PHE 414 Ca 0.04 -0.04 0.23 0.00 -0.96 0.00 0.00 56.93 56.20 1ndf s PHE 414 Cb -0.26 -4.39 0.17 0.00 -0.34 0.00 0.00 43.02 38.21 1ndf s PHE 414 CO 0.03 -1.69 1.16 -2.39 -1.46 0.00 0.00 175.22 170.87 1ndf n HIS 415 N 8.32 0.53 -0.33 10.12 1.44 -1.26 -0.84 115.22 133.19 1ndf n HIS 415 Ca 0.02 0.15 0.08 0.00 -2.01 0.00 0.00 57.72 55.96 1ndf n HIS 415 Cb 0.48 -0.64 0.24 0.00 0.12 0.00 0.00 29.99 30.19 1ndf n HIS 415 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1ndf h HIS 416 N 0.00 1.00 -1.76 -1.40 3.86 -1.90 -3.43 115.15 111.52 1ndf h HIS 416 Ca 0.00 0.03 0.25 0.00 -1.16 0.00 0.00 60.37 59.50 1ndf h HIS 416 Cb 0.79 -0.30 -0.13 0.00 1.06 0.00 0.00 27.41 28.83 1ndf h HIS 416 CO 0.00 0.33 0.70 -0.59 0.86 0.00 0.00 177.93 179.23 1ndf s PHE 417 N -5.95 -0.11 0.00 2.45 -0.12 -1.23 -4.98 117.98 108.04 1ndf s PHE 417 Ca -0.12 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 1ndf s PHE 417 Cb 0.22 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 43.18 1ndf s PHE 417 CO 0.80 -0.43 0.00 0.41 -0.05 0.00 0.00 175.22 175.95 1ndf n GLY 418 N -0.38 3.93 0.25 1.99 0.00 -1.20 -3.74 105.19 106.03 1ndf n GLY 418 Ca -0.06 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.40 1.61 1.57 -0.66 -3.24 116.57 115.45 1ndf h LYS 419 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 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 0.14 -0.11 0.38 -0.57 0.00 0.00 179.45 179.29 1ndf h ASP 420 N 0.00 -0.42 0.32 0.86 3.04 -1.47 -1.53 116.42 117.23 1ndf h ASP 420 Ca -0.00 0.13 -0.02 0.00 -3.24 0.00 0.00 57.03 53.90 1ndf h ASP 420 Cb 0.42 0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1ndf h ASP 420 CO 0.02 -0.15 -0.15 0.15 -2.04 0.00 0.00 179.24 177.07 1ndf h PHE 421 N -0.02 -0.40 -0.74 4.15 3.57 -1.83 -1.65 116.94 120.01 1ndf h PHE 421 Ca 0.20 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1ndf h PHE 421 Cb 0.32 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1ndf h PHE 421 CO -0.37 -0.16 0.42 -1.35 -2.23 0.00 0.00 178.31 174.62 1ndf h PRO 422 N -0.57 0.73 -0.86 6.41 0.11 -1.71 -1.88 132.00 134.24 1ndf h PRO 422 Ca -0.04 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.03 1ndf h PRO 422 Cb 0.42 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 1ndf h PRO 422 CO 0.07 0.48 0.57 0.87 -0.21 0.00 0.00 178.00 179.79 1ndf h LYS 423 N 0.75 1.13 0.00 1.05 1.57 -1.19 0.07 116.57 119.96 1ndf h LYS 423 Ca 0.34 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ndf h LYS 423 Cb 0.24 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1ndf h LYS 423 CO -0.20 0.75 0.00 0.66 -0.57 0.00 0.00 179.45 180.09 1ndf h SER 424 N 1.17 0.00 -0.45 0.86 4.64 -0.51 -0.36 113.55 118.90 1ndf h SER 424 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1ndf h SER 424 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1ndf h SER 424 CO -0.07 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.27 1ndf n GLU 425 N -3.05 2.44 -3.57 4.77 -0.58 -0.15 -4.94 120.64 115.56 1ndf n GLU 425 Ca -0.01 -2.19 -0.24 0.00 -0.42 0.00 0.00 57.16 54.30 1ndf n GLU 425 Cb 0.17 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.61 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 1.36 -7.81 -4.64 3.49 4.76 -0.14 -5.00 118.16 110.17 1ndf n LYS 426 Ca 0.20 0.82 -0.24 0.00 -2.87 0.00 0.00 58.31 56.22 1ndf n LYS 426 Cb 0.56 -5.83 -0.14 0.00 -1.84 0.00 0.00 35.03 27.78 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 -7.20 2.13 0.04 -0.35 1.43 -0.27 -5.02 118.68 109.43 1ndf s LEU 427 Ca 0.57 -0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 1ndf s LEU 427 Cb -0.25 -0.87 -0.07 0.00 0.03 0.00 0.00 46.19 45.02 1ndf s LEU 427 CO 0.71 0.15 1.60 -0.55 0.23 0.00 0.00 176.35 178.49 1ndf s SER 428 N -0.93 6.66 0.15 2.29 0.15 -1.26 -3.61 113.70 117.15 1ndf s SER 428 Ca 0.06 2.38 -0.16 0.00 0.70 0.00 0.00 55.95 58.93 1ndf s SER 428 Cb -0.08 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1ndf s SER 428 CO 0.01 -0.85 1.78 -0.65 1.20 0.00 0.00 173.24 174.72 1ndf h PRO 429 N 8.31 0.36 -0.76 5.44 0.11 -1.89 0.20 132.00 143.77 1ndf h PRO 429 Ca -0.41 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 1ndf h PRO 429 Cb 1.19 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1ndf h PRO 429 CO 0.93 0.24 0.41 0.22 -0.21 0.00 0.00 178.00 179.58 1ndf h ASP 430 N 0.37 0.95 -0.18 -2.05 3.58 -1.99 0.43 116.42 117.53 1ndf h ASP 430 Ca 0.15 -0.10 -0.11 0.00 0.42 0.00 0.00 57.03 57.39 1ndf h ASP 430 Cb 0.06 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1ndf h ASP 430 CO -0.11 0.78 -0.26 0.00 -2.88 0.00 0.00 179.24 176.77 1ndf h ALA 431 N 1.21 0.93 -0.18 -0.78 0.00 -1.81 -0.61 119.26 118.03 1ndf h ALA 431 Ca 0.27 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ndf h ALA 431 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ndf h ALA 431 CO -0.04 0.61 0.10 0.35 0.00 0.00 0.00 179.25 180.28 1ndf h PHE 432 N 0.57 0.24 -0.52 0.00 3.04 -0.02 -1.42 116.94 118.83 1ndf h PHE 432 Ca 0.08 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1ndf h PHE 432 Cb 0.75 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 1ndf h PHE 432 CO 0.03 0.21 0.24 0.82 -2.02 0.00 0.00 178.31 177.59 1ndf h ILE 433 N 0.20 1.20 -0.77 1.41 2.04 -0.63 -1.74 117.51 119.22 1ndf h ILE 433 Ca 0.06 -0.58 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 1ndf h ILE 433 Cb 0.04 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1ndf h ILE 433 CO -0.01 0.23 0.26 1.56 0.00 0.00 0.00 178.15 180.18 1ndf h GLN 434 N 0.69 1.18 -0.38 2.37 1.08 -0.95 -1.69 115.11 117.42 1ndf h GLN 434 Ca 0.18 -0.24 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 1ndf h GLN 434 Cb 0.14 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1ndf h GLN 434 CO -0.02 0.99 -0.12 0.28 -0.95 0.00 0.00 178.83 179.00 1ndf h VAL 435 N 1.13 1.25 -0.80 -0.54 2.07 -1.10 -2.00 116.25 116.26 1ndf h VAL 435 Ca 0.25 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 1ndf h VAL 435 Cb 0.29 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1ndf h VAL 435 CO -0.01 0.38 0.35 0.00 0.02 0.00 0.00 177.57 178.31 1ndf h ALA 436 N 1.25 1.11 -0.60 1.67 0.00 -0.85 -1.06 119.26 120.77 1ndf h ALA 436 Ca 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1ndf h ALA 436 Cb 0.57 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ndf h ALA 436 CO 0.04 0.65 0.11 1.25 0.00 0.00 0.00 179.25 181.30 1ndf h LEU 437 N 1.15 0.91 -0.72 0.00 5.85 -0.84 -0.13 115.31 121.53 1ndf h LEU 437 Ca 0.27 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1ndf h LEU 437 Cb 0.17 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1ndf h LEU 437 CO -0.03 0.90 0.18 1.56 -0.34 0.00 0.00 178.44 180.72 1ndf h GLN 438 N 0.91 1.15 -0.38 1.25 1.08 -0.82 0.10 115.11 118.39 1ndf h GLN 438 Ca 0.19 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 57.09 1ndf h GLN 438 Cb 0.38 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1ndf h GLN 438 CO 0.01 1.01 0.12 1.25 -0.95 0.00 0.00 178.83 180.27 1ndf h LEU 439 N 1.09 0.55 -0.39 1.46 5.85 -0.67 -0.88 115.31 122.33 1ndf h LEU 439 Ca 0.23 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ndf h LEU 439 Cb 0.37 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1ndf h LEU 439 CO 0.00 0.61 0.19 0.00 -0.34 0.00 0.00 178.44 178.90 1ndf h ALA 440 N 0.97 0.50 -0.62 1.25 0.00 -0.78 -0.20 119.26 120.37 1ndf h ALA 440 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ndf h ALA 440 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1ndf h ALA 440 CO -0.00 0.06 0.29 -0.92 0.00 0.00 0.00 179.25 178.68 1ndf h TYR 441 N 0.49 0.91 -0.63 0.00 3.20 -0.81 -2.15 116.97 117.97 1ndf h TYR 441 Ca 0.13 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.88 1ndf h TYR 441 Cb 0.11 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1ndf h TYR 441 CO -0.02 0.69 0.11 -0.92 -1.64 0.00 0.00 178.16 176.38 1ndf h TYR 442 N 0.86 1.11 -0.33 -3.82 3.20 -0.93 0.06 116.97 117.11 1ndf h TYR 442 Ca 0.21 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1ndf h TYR 442 Cb 0.13 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 1ndf h TYR 442 CO 0.00 0.94 0.15 0.00 -1.64 0.00 0.00 178.16 177.61 1ndf h ARG 443 N 0.96 0.45 0.05 1.82 3.08 -0.72 0.38 114.38 120.40 1ndf h ARG 443 Ca 0.19 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.08 1ndf h ARG 443 Cb 0.42 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1ndf h ARG 443 CO 0.01 0.36 -0.59 0.82 -1.07 0.00 0.00 179.97 179.50 1ndf h ILE 444 N 0.46 1.49 0.00 2.04 2.04 -1.05 -3.41 117.51 119.08 1ndf h ILE 444 Ca 0.12 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.59 1ndf h ILE 444 Cb 0.06 3.09 0.00 0.00 -0.74 0.00 0.00 36.82 39.23 1ndf h ILE 444 CO -0.02 0.61 -1.59 -1.22 0.00 0.00 0.00 178.15 175.94 1ndf n TYR 445 N -4.36 0.16 -1.05 1.37 4.02 -0.02 -5.00 117.16 112.28 1ndf n TYR 445 Ca -0.16 0.05 -0.02 0.00 -0.01 0.00 0.00 57.90 57.76 1ndf n TYR 445 Cb 0.66 -0.48 -0.01 0.00 -0.02 0.00 0.00 39.34 39.49 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 1.30 0.54 3.49 2.72 0.00 0.13 -4.99 105.19 108.38 1ndf n GLY 446 Ca -0.01 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.52 0.93 0.73 1.61 -2.07 -1.26 -5.07 119.66 113.02 1ndf s GLN 447 Ca 0.00 -0.28 -0.07 0.00 -1.82 0.00 0.00 55.36 53.18 1ndf s GLN 447 Cb 0.00 0.43 0.07 0.00 -1.09 0.00 0.00 33.01 32.42 1ndf s GLN 447 CO 0.00 -0.40 1.05 0.00 -1.32 0.00 0.00 175.29 174.62 1ndf s ALA 448 N -3.03 3.08 0.03 2.60 0.00 -1.26 -4.30 121.76 118.88 1ndf s ALA 448 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 51.00 1ndf s ALA 448 Cb -0.01 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.48 1ndf s ALA 448 CO -0.08 -1.41 0.05 0.00 0.00 0.00 0.00 175.76 174.32 1ndf n ALA 450 N 0.98 0.98 -2.69 0.00 0.00 -1.26 -4.62 120.51 113.89 1ndf n ALA 450 Ca -0.20 0.37 -0.27 0.00 0.00 0.00 0.00 53.44 53.34 1ndf n ALA 450 Cb 0.58 -2.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 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 2.48 1.55 -0.10 0.00 2.01 -1.26 -2.86 115.64 117.45 1ndf s THR 451 Ca 0.86 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 62.07 1ndf s THR 451 Cb -0.71 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 1ndf s THR 451 CO 0.46 0.44 -0.13 -0.47 -0.69 0.00 0.00 174.62 174.22 1ndf s TYR 452 N -0.20 2.77 -0.04 4.92 5.04 -0.31 -3.26 117.35 126.27 1ndf s TYR 452 Ca 0.01 -0.46 0.00 0.00 -2.44 0.00 0.00 57.07 54.19 1ndf s TYR 452 Cb -0.10 -1.76 0.03 0.00 0.35 0.00 0.00 41.96 40.47 1ndf s TYR 452 CO 0.01 -0.06 -0.01 -2.00 -1.34 0.00 0.00 175.55 172.15 1ndf s GLU 453 N -0.06 0.51 0.38 4.97 2.12 -0.62 -0.14 118.70 125.86 1ndf s GLU 453 Ca -0.03 0.04 -0.28 0.00 0.36 0.00 0.00 54.97 55.07 1ndf s GLU 453 Cb -0.14 -0.70 -0.11 0.00 0.26 0.00 0.00 34.13 33.45 1ndf s GLU 453 CO 0.04 -0.16 1.48 -1.12 -0.54 0.00 0.00 175.26 174.96 1ndf s SER 454 N 1.24 6.34 -0.06 -1.70 0.01 -0.85 -1.48 113.70 117.20 1ndf s SER 454 Ca -0.06 3.04 0.02 0.00 1.31 0.00 0.00 55.95 60.25 1ndf s SER 454 Cb -0.13 -2.67 0.02 0.00 0.21 0.00 0.00 66.02 63.45 1ndf s SER 454 CO -0.02 -0.88 -0.08 0.00 0.41 0.00 0.00 173.24 172.67 1ndf s ALA 455 N -1.12 0.97 -0.02 1.44 0.00 -0.79 -4.79 121.76 117.45 1ndf s ALA 455 Ca 0.53 -0.24 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 1ndf s ALA 455 Cb -0.46 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.13 1ndf s ALA 455 CO 0.63 0.04 0.91 0.45 0.00 0.00 0.00 175.76 177.79 1ndf s SER 456 N 0.81 7.27 -0.26 0.00 0.15 -1.26 -1.11 113.70 119.29 1ndf s SER 456 Ca -0.13 1.54 0.13 0.00 0.70 0.00 0.00 55.95 58.19 1ndf s SER 456 Cb -0.15 -2.53 0.71 0.00 -1.71 0.00 0.00 66.02 62.34 1ndf s SER 456 CO 0.02 -0.23 1.69 0.18 1.20 0.00 0.00 173.24 176.10 1ndf n LEU 457 N 3.89 5.39 0.01 3.45 4.77 -0.27 -4.46 117.00 129.77 1ndf n LEU 457 Ca 0.04 -3.13 0.02 0.00 -0.03 0.00 0.00 56.01 52.91 1ndf n LEU 457 Cb 0.51 -0.68 0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1ndf n LEU 457 CO 0.51 0.75 0.56 0.54 -1.33 0.00 0.00 177.39 178.42 1ndf n ARG 458 N -0.06 0.01 0.00 3.23 1.74 -1.26 -1.61 116.66 118.72 1ndf n ARG 458 Ca 0.32 0.46 0.12 0.00 -0.77 0.00 0.00 57.85 57.98 1ndf n ARG 458 Cb 1.20 -1.52 0.63 0.00 -1.02 0.00 0.00 32.46 31.75 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 -1.54 0.46 -4.34 5.56 0.00 -1.26 0.53 117.12 116.52 1ndf n MET 459 Ca 0.01 0.05 -0.30 0.00 0.00 0.00 0.00 57.70 57.46 1ndf n MET 459 Cb 0.03 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 31.64 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 -2.41 2.58 -0.00 3.17 0.40 -0.63 -4.16 117.98 116.93 1ndf s PHE 460 Ca 0.26 -0.24 -0.34 0.00 -0.60 0.00 0.00 56.93 56.02 1ndf s PHE 460 Cb 0.16 -1.38 -0.12 0.00 0.51 0.00 0.00 43.02 42.19 1ndf s PHE 460 CO 0.33 0.38 1.81 1.58 0.70 0.00 0.00 175.22 180.02 1ndf n HIS 461 N 0.89 2.35 -1.23 0.36 -0.00 -0.35 -1.36 115.22 115.89 1ndf n HIS 461 Ca -0.15 0.02 -0.08 0.00 -0.00 0.00 0.00 57.72 57.51 1ndf n HIS 461 Cb 0.53 -2.65 -0.03 0.00 -0.00 0.00 0.00 29.99 27.83 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 5.86 -0.19 -4.76 0.27 4.77 -1.26 -4.61 117.00 117.08 1ndf n LEU 462 Ca 0.21 0.19 -0.41 0.00 -0.03 0.00 0.00 56.01 55.97 1ndf n LEU 462 Cb 0.31 -2.15 -0.02 0.00 -2.33 0.00 0.00 43.42 39.22 1ndf n LEU 462 CO 0.70 -0.79 1.03 -0.83 -1.33 0.00 0.00 177.39 176.16 1ndf s GLY 463 N -2.41 2.71 0.00 -0.72 0.00 -0.46 -4.89 107.32 101.55 1ndf s GLY 463 Ca 0.00 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.00 1ndf s GLY 463 CO 0.00 2.07 0.00 0.54 0.00 0.00 0.00 173.10 175.71 1ndf n ARG 464 N 1.51 0.00 -4.11 2.90 5.12 -1.26 -4.06 116.66 116.76 1ndf n ARG 464 Ca 0.03 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.85 1ndf n ARG 464 Cb 0.41 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.62 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 0.28 0.07 0.29 0.55 -4.23 -1.26 -1.12 115.64 110.23 1ndf s THR 465 Ca 0.00 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 58.77 1ndf s THR 465 Cb 0.00 -2.09 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1ndf s THR 465 CO 0.00 -0.32 0.25 -0.62 -0.54 0.00 0.00 174.62 173.40 1ndf s ASP 466 N -3.05 1.15 -0.16 3.99 -1.08 -0.26 -4.84 116.67 112.42 1ndf s ASP 466 Ca 0.25 -1.62 -0.05 0.00 -0.52 0.00 0.00 52.55 50.61 1ndf s ASP 466 Cb 0.06 0.51 -0.03 0.00 -1.46 0.00 0.00 42.92 42.00 1ndf s ASP 466 CO 0.04 -1.02 0.01 -0.89 0.52 0.00 0.00 175.17 173.83 1ndf s THR 467 N -3.63 4.32 -0.25 1.71 2.01 -1.26 -1.88 115.64 116.66 1ndf s THR 467 Ca 0.39 -0.21 -0.09 0.00 0.31 0.00 0.00 61.69 62.09 1ndf s THR 467 Cb 0.03 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.59 1ndf s THR 467 CO 0.22 0.49 0.12 -0.63 -0.69 0.00 0.00 174.62 174.13 1ndf s ILE 468 N 0.29 4.90 -0.40 1.82 1.01 -0.55 -4.70 121.20 123.57 1ndf s ILE 468 Ca -0.00 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1ndf s ILE 468 Cb -0.13 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.06 1ndf s ILE 468 CO 0.02 0.33 0.48 -0.13 0.00 0.00 0.00 174.94 175.64 1ndf s ARG 469 N 1.35 3.32 0.47 2.79 0.52 -1.26 -1.58 118.95 124.56 1ndf s ARG 469 Ca 0.06 -0.50 0.26 0.00 -0.52 0.00 0.00 55.73 55.04 1ndf s ARG 469 Cb -0.15 -3.90 0.67 0.00 0.52 0.00 0.00 34.95 32.09 1ndf s ARG 469 CO 0.06 -0.78 1.73 0.77 0.02 0.00 0.00 175.30 177.09 1ndf h SER 470 N 8.65 0.00 -3.55 0.23 0.02 -1.92 -3.41 113.55 113.58 1ndf h SER 470 Ca -0.27 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.06 1ndf h SER 470 Cb 1.12 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.53 1ndf h SER 470 CO 0.79 0.01 0.45 0.00 -1.14 0.00 0.00 176.83 176.94 1ndf s ALA 471 N -3.36 3.25 0.36 3.77 0.00 -1.26 -4.81 121.76 119.72 1ndf s ALA 471 Ca 0.05 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1ndf s ALA 471 Cb 0.06 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1ndf s ALA 471 CO 0.63 -2.05 0.14 -1.54 0.00 0.00 0.00 175.76 172.94 1ndf s SER 472 N 2.32 2.26 0.23 0.00 1.04 -1.26 -4.87 113.70 113.41 1ndf s SER 472 Ca 0.32 -1.61 -0.08 0.00 0.48 0.00 0.00 55.95 55.06 1ndf s SER 472 Cb -0.12 0.40 0.21 0.00 0.10 0.00 0.00 66.02 66.61 1ndf s SER 472 CO 0.23 -0.89 1.88 0.40 0.98 0.00 0.00 173.24 175.83 1ndf h ILE 473 N 1.99 1.25 -0.04 -1.02 2.04 -1.92 -1.44 117.51 118.36 1ndf h ILE 473 Ca -0.35 -0.53 -0.20 0.00 1.00 0.00 0.00 64.86 64.78 1ndf h ILE 473 Cb 1.26 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1ndf h ILE 473 CO 0.55 0.26 -0.81 0.44 0.00 0.00 0.00 178.15 178.59 1ndf h ASP 474 N 1.22 0.44 -0.35 1.72 3.32 -1.95 -2.49 116.42 118.33 1ndf h ASP 474 Ca 0.32 -0.32 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1ndf h ASP 474 Cb -0.05 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1ndf h ASP 474 CO -0.06 1.08 -0.35 0.77 -1.72 0.00 0.00 179.24 178.96 1ndf h SER 475 N 0.22 0.92 -0.54 6.45 4.64 -1.81 -2.04 113.55 121.39 1ndf h SER 475 Ca -0.05 -0.47 -0.07 0.00 -0.47 0.00 0.00 61.79 60.73 1ndf h SER 475 Cb 1.41 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1ndf h SER 475 CO 0.14 1.20 0.07 0.25 -0.87 0.00 0.00 176.83 177.61 1ndf h LEU 476 N 0.65 0.90 -0.77 5.97 5.85 -1.31 -0.29 115.31 126.31 1ndf h LEU 476 Ca 0.06 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1ndf h LEU 476 Cb 0.94 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1ndf h LEU 476 CO 0.09 0.93 0.36 0.00 -0.34 0.00 0.00 178.44 179.47 1ndf h ALA 477 N 1.18 1.00 0.09 1.25 0.00 -1.34 -2.21 119.26 119.22 1ndf h ALA 477 Ca 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ndf h ALA 477 Cb 0.43 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ndf h ALA 477 CO 0.01 0.57 -0.04 0.35 0.00 0.00 0.00 179.25 180.14 1ndf h PHE 478 N 1.09 -0.11 -0.72 0.00 3.57 -0.79 -1.65 116.94 118.33 1ndf h PHE 478 Ca 0.26 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1ndf h PHE 478 Cb 0.13 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1ndf h PHE 478 CO 0.01 0.22 0.48 -0.39 -2.23 0.00 0.00 178.31 176.40 1ndf h VAL 479 N -0.46 1.18 0.06 1.41 -1.51 -1.02 0.30 116.25 116.22 1ndf h VAL 479 Ca -0.01 -0.34 -0.00 0.00 -1.23 0.00 0.00 66.70 65.12 1ndf h VAL 479 Cb 0.38 0.12 0.00 0.00 -2.13 0.00 0.00 31.29 29.66 1ndf h VAL 479 CO 0.02 0.18 -0.03 0.11 -1.23 0.00 0.00 177.57 176.62 1ndf h LYS 480 N 0.98 -0.08 -0.57 5.19 1.57 -1.42 -3.20 116.57 119.03 1ndf h LYS 480 Ca 0.27 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1ndf h LYS 480 Cb -0.11 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1ndf h LYS 480 CO -0.06 0.33 0.32 0.78 -0.57 0.00 0.00 179.45 180.25 1ndf h GLY 481 N -0.52 0.84 0.64 3.86 0.00 -0.88 -2.40 103.07 104.61 1ndf h GLY 481 Ca -0.01 -0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.06 1ndf h GLY 481 CO 0.01 0.34 0.63 1.98 0.00 0.00 0.00 176.54 179.51 1ndf h MET 482 N 0.80 1.02 -0.61 4.80 1.85 -0.41 -1.89 114.93 120.48 1ndf h MET 482 Ca 0.20 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.23 1ndf h MET 482 Cb 0.01 -0.23 0.00 0.00 0.43 0.00 0.00 31.60 31.81 1ndf h MET 482 CO -0.03 0.67 0.00 0.41 -0.40 0.00 0.00 176.91 177.56 1ndf n GLY 483 N -1.37 2.76 3.50 1.39 0.00 -1.02 -4.88 105.19 105.57 1ndf n GLY 483 Ca 0.17 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.02 6.31 0.00 1.61 -1.08 -0.71 -4.89 116.67 116.89 1ndf s ASP 484 Ca 0.46 -0.49 0.00 0.00 -0.52 0.00 0.00 52.55 51.99 1ndf s ASP 484 Cb 0.28 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 1ndf s ASP 484 CO 0.25 -1.18 0.43 -1.20 0.52 0.00 0.00 175.17 173.99 1ndf n SER 485 N 7.24 0.00 -0.11 -0.34 7.64 -1.26 -0.99 113.62 125.80 1ndf n SER 485 Ca -0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.89 1ndf n SER 485 Cb 0.47 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1ndf n SER 485 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ndf n THR 486 N -0.92 0.00 -3.56 0.44 -2.24 -1.26 -4.98 114.28 101.76 1ndf n THR 486 Ca 0.00 -0.49 -0.38 0.00 -2.27 0.00 0.00 64.05 60.91 1ndf n THR 486 Cb 0.00 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 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 -0.38 5.29 0.55 2.28 1.01 -0.16 -5.07 120.40 123.93 1ndf s VAL 487 Ca 0.03 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.10 1ndf s VAL 487 Cb 0.03 -3.57 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 1ndf s VAL 487 CO 0.05 0.26 0.70 -2.65 0.00 0.00 0.00 175.10 173.45 1ndf n PRO 488 N 4.87 0.70 -0.09 2.72 -0.02 -1.26 -4.78 135.00 137.15 1ndf n PRO 488 Ca -0.13 0.27 -0.04 0.00 -2.02 0.00 0.00 63.50 61.58 1ndf n PRO 488 Cb 0.52 -1.85 0.17 0.00 -0.02 0.00 0.00 33.50 32.32 1ndf n PRO 488 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1ndf h GLU 489 N 0.48 0.74 -0.77 -0.52 5.08 -1.97 -1.75 114.58 115.87 1ndf h GLU 489 Ca -0.46 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 57.74 1ndf h GLU 489 Cb 1.38 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1ndf h GLU 489 CO 0.49 0.78 0.51 1.96 -1.00 0.00 0.00 179.01 181.75 1ndf h GLN 490 N 0.69 0.84 -0.01 2.33 7.50 -1.98 -1.42 115.11 123.06 1ndf h GLN 490 Ca 0.13 -0.05 -0.26 0.00 0.50 0.00 0.00 58.65 58.97 1ndf h GLN 490 Cb 0.49 -0.19 0.02 0.00 0.05 0.00 0.00 27.48 27.84 1ndf h GLN 490 CO 0.03 0.56 -1.01 0.37 -1.50 0.00 0.00 178.83 177.27 1ndf h GLN 491 N 0.87 0.64 -1.00 1.46 5.75 -1.83 -2.79 115.11 118.22 1ndf h GLN 491 Ca 0.32 -0.69 0.11 0.00 -0.15 0.00 0.00 58.65 58.25 1ndf h GLN 491 Cb 0.17 0.19 -0.08 0.00 1.07 0.00 0.00 27.48 28.83 1ndf h GLN 491 CO -0.11 1.28 0.63 0.87 -2.65 0.00 0.00 178.83 178.86 1ndf h LYS 492 N 0.37 0.98 -0.41 1.69 1.57 -0.43 0.22 116.57 120.55 1ndf h LYS 492 Ca -0.12 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 1ndf h LYS 492 Cb 1.66 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1ndf h LYS 492 CO 0.19 0.65 -0.21 0.28 -0.57 0.00 0.00 179.45 179.79 1ndf h VAL 493 N 1.01 1.27 -0.18 0.50 2.07 -1.26 -0.54 116.25 119.11 1ndf h VAL 493 Ca 0.49 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1ndf h VAL 493 Cb 0.46 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1ndf h VAL 493 CO -0.25 0.45 0.06 -0.33 0.02 0.00 0.00 177.57 177.52 1ndf h GLU 494 N 0.71 0.28 -0.59 1.57 5.08 -0.61 -0.90 114.58 120.12 1ndf h GLU 494 Ca 0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1ndf h GLU 494 Cb 0.73 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1ndf h GLU 494 CO 0.06 0.38 0.32 -0.07 -1.00 0.00 0.00 179.01 178.69 1ndf h LEU 495 N 0.13 0.72 -0.03 1.33 3.38 -0.52 -1.27 115.31 119.06 1ndf h LEU 495 Ca 0.06 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ndf h LEU 495 Cb 0.21 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ndf h LEU 495 CO -0.00 0.59 0.00 0.25 0.09 0.00 0.00 178.44 179.37 1ndf h LEU 496 N 0.82 0.05 -1.15 1.67 6.46 -0.74 -1.03 115.31 121.39 1ndf h LEU 496 Ca 0.21 -0.27 -0.02 0.00 -0.12 0.00 0.00 57.88 57.68 1ndf h LEU 496 Cb 0.03 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 1ndf h LEU 496 CO -0.03 0.31 0.30 0.03 -0.62 0.00 0.00 178.44 178.43 1ndf h ARG 497 N -0.21 0.90 -0.56 1.25 3.08 -0.86 -1.33 114.38 116.64 1ndf h ARG 497 Ca 0.01 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 1ndf h ARG 497 Cb 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ndf h ARG 497 CO 0.00 0.69 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.33 1ndf h LYS 498 N 0.89 1.02 -0.53 0.04 3.64 -1.07 -0.10 116.57 120.48 1ndf h LYS 498 Ca 0.22 -0.35 -0.04 0.00 -1.27 0.00 0.00 60.65 59.21 1ndf h LYS 498 Cb 0.09 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1ndf h LYS 498 CO -0.03 1.03 0.16 0.00 -2.27 0.00 0.00 179.45 178.34 1ndf h ALA 499 N 0.95 0.69 -0.23 5.00 0.00 -0.69 0.17 119.26 125.15 1ndf h ALA 499 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ndf h ALA 499 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ndf h ALA 499 CO 0.04 0.36 -0.03 0.28 0.00 0.00 0.00 179.25 179.89 1ndf h VAL 500 N 0.72 1.27 -0.81 0.00 2.07 -1.13 -1.63 116.25 116.75 1ndf h VAL 500 Ca 0.17 -0.99 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1ndf h VAL 500 Cb 0.29 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1ndf h VAL 500 CO -0.00 0.31 0.35 1.56 0.02 0.00 0.00 177.57 179.81 1ndf h GLN 501 N 0.18 1.19 -0.81 1.57 1.08 -0.87 -0.85 115.11 116.60 1ndf h GLN 501 Ca 0.06 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.04 1ndf h GLN 501 Cb 0.47 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 1ndf h GLN 501 CO 0.02 0.94 0.41 0.00 -0.95 0.00 0.00 178.83 179.25 1ndf h ALA 502 N 1.21 1.20 -0.16 3.87 0.00 -0.54 -0.57 119.26 124.26 1ndf h ALA 502 Ca 0.27 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.89 1ndf h ALA 502 Cb 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ndf h ALA 502 CO -0.03 0.63 -0.54 1.25 0.00 0.00 0.00 179.25 180.56 1ndf h HIS 503 N 1.14 0.60 -0.26 0.00 -0.00 -0.75 -2.16 115.15 113.72 1ndf h HIS 503 Ca 0.28 -0.21 -0.12 0.00 -0.00 0.00 0.00 60.37 60.32 1ndf h HIS 503 Cb 0.08 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 1ndf h HIS 503 CO 0.01 0.92 -0.35 -0.09 -0.00 0.00 0.00 177.93 178.42 1ndf h ARG 504 N 0.37 0.58 -0.33 5.26 2.43 -0.65 -1.03 114.38 121.02 1ndf h ARG 504 Ca 0.01 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1ndf h ARG 504 Cb 1.07 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1ndf h ARG 504 CO 0.10 0.85 0.14 0.00 -1.51 0.00 0.00 179.97 179.55 1ndf h ALA 505 N 1.13 0.43 -0.67 2.80 0.00 -0.97 0.33 119.26 122.30 1ndf h ALA 505 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ndf h ALA 505 Cb 0.83 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1ndf h ALA 505 CO 0.07 0.01 0.34 -0.92 0.00 0.00 0.00 179.25 178.75 1ndf h TYR 506 N 0.39 0.95 -0.32 0.00 -0.00 -1.25 -1.37 116.97 115.37 1ndf h TYR 506 Ca 0.11 -0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.81 1ndf h TYR 506 Cb 0.16 -0.30 -0.02 0.00 -0.00 0.00 0.00 36.73 36.58 1ndf h TYR 506 CO -0.01 0.70 0.21 1.15 -0.00 0.00 0.00 178.16 180.21 1ndf h THR 507 N 0.93 1.09 -0.36 1.81 2.02 -0.82 0.16 112.91 117.73 1ndf h THR 507 Ca 0.23 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 1ndf h THR 507 Cb 0.09 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1ndf h THR 507 CO -0.03 0.09 -0.02 0.44 0.37 0.00 0.00 175.52 176.36 1ndf h ASP 508 N 0.44 0.55 -0.31 4.18 3.32 -0.63 -1.98 116.42 121.98 1ndf h ASP 508 Ca 0.12 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1ndf h ASP 508 Cb -0.04 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1ndf h ASP 508 CO -0.03 0.64 -0.43 0.03 -1.72 0.00 0.00 179.24 177.74 1ndf h ARG 509 N 0.55 0.84 -0.56 3.56 3.08 -0.86 -2.86 114.38 118.13 1ndf h ARG 509 Ca 0.11 -0.49 -0.03 0.00 0.07 0.00 0.00 59.98 59.64 1ndf h ARG 509 Cb 0.39 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1ndf h ARG 509 CO 0.02 1.12 0.23 0.00 -1.07 0.00 0.00 179.97 180.27 1ndf h ALA 510 N 0.71 0.73 0.00 0.04 0.00 -0.69 0.26 119.26 120.30 1ndf h ALA 510 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ndf h ALA 510 Cb 1.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ndf h ALA 510 CO 0.10 0.33 0.00 0.82 0.00 0.00 0.00 179.25 180.50 1ndf h ILE 511 N 0.76 0.00 -0.66 0.00 2.04 -1.39 -2.10 117.51 116.17 1ndf h ILE 511 Ca 0.19 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ndf h ILE 511 Cb 0.19 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1ndf h ILE 511 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.67 1ndf n ARG 512 N -2.67 3.61 -2.15 2.37 1.74 -0.78 -4.67 116.66 114.12 1ndf n ARG 512 Ca 0.01 -2.82 -0.13 0.00 -0.77 0.00 0.00 57.85 54.14 1ndf n ARG 512 Cb 0.25 -1.86 -0.01 0.00 -1.02 0.00 0.00 32.46 29.82 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 1.21 0.01 0.61 -0.13 0.00 -0.79 -4.91 105.19 101.19 1ndf n GLY 513 Ca 0.26 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.29 1.96 -1.42 1.61 1.02 0.86 -4.57 120.64 117.82 1ndf n GLU 514 Ca -0.15 -1.74 -0.30 0.00 -0.02 0.00 0.00 57.16 54.95 1ndf n GLU 514 Cb 0.59 -1.27 0.21 0.00 -0.02 0.00 0.00 31.44 30.95 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 1.29 -0.07 0.62 0.00 -1.23 -4.81 121.76 116.56 1ndf s ALA 515 Ca 0.21 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1ndf s ALA 515 Cb 0.12 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1ndf s ALA 515 CO 0.16 -3.01 0.11 1.97 0.00 0.00 0.00 175.76 174.99 1ndf n PHE 516 N -4.28 0.00 0.05 0.00 1.16 -1.26 -4.72 117.46 108.40 1ndf n PHE 516 Ca 0.12 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.59 1ndf n PHE 516 Cb 0.59 -0.05 -0.06 0.00 -1.61 0.00 0.00 39.48 38.35 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 -0.14 -0.11 5.98 5.19 -1.96 0.21 116.42 125.59 1ndf h ASP 517 Ca 0.00 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 1ndf h ASP 517 Cb 0.13 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 1ndf h ASP 517 CO 0.00 -0.08 -0.16 0.03 -3.12 0.00 0.00 179.24 175.92 1ndf h ARG 518 N -0.09 0.48 -0.04 3.56 2.47 -1.92 -1.97 114.38 116.86 1ndf h ARG 518 Ca 0.02 -0.15 0.01 0.00 -1.26 0.00 0.00 59.98 58.60 1ndf h ARG 518 Cb 0.11 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1ndf h ARG 518 CO -0.05 0.63 -0.02 1.25 0.56 0.00 0.00 179.97 182.34 1ndf h HIS 519 N 0.44 -0.06 -0.74 3.04 2.76 -1.73 0.23 115.15 119.09 1ndf h HIS 519 Ca 0.08 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1ndf h HIS 519 Cb 0.53 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.49 1ndf h HIS 519 CO 0.02 -0.04 0.39 -0.07 -1.30 0.00 0.00 177.93 176.93 1ndf h LEU 520 N -0.03 0.94 -0.72 0.26 3.38 -0.77 -0.05 115.31 118.33 1ndf h LEU 520 Ca 0.03 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1ndf h LEU 520 Cb 0.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1ndf h LEU 520 CO -0.06 0.78 0.46 0.25 0.09 0.00 0.00 178.44 179.96 1ndf h LEU 521 N 1.03 0.76 -0.85 1.67 5.85 -0.96 -1.32 115.31 121.49 1ndf h LEU 521 Ca 0.26 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1ndf h LEU 521 Cb 0.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1ndf h LEU 521 CO -0.04 0.53 0.56 1.23 -0.34 0.00 0.00 178.44 180.38 1ndf h GLY 522 N 0.90 1.20 1.06 3.75 0.00 0.59 -0.35 103.07 110.21 1ndf h GLY 522 Ca 0.29 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1ndf h GLY 522 CO -0.10 0.44 0.23 1.41 0.00 0.00 0.00 176.54 178.52 1ndf h LEU 523 N 1.15 1.09 -0.48 3.11 3.38 -0.41 0.12 115.31 123.28 1ndf h LEU 523 Ca 0.31 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1ndf h LEU 523 Cb -0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.32 1ndf h LEU 523 CO -0.07 1.01 0.07 0.50 0.09 0.00 0.00 178.44 180.05 1ndf h LYS 524 N 1.11 0.79 0.00 1.13 3.64 -0.68 -1.81 116.57 120.75 1ndf h LYS 524 Ca 0.24 -0.21 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1ndf h LYS 524 Cb 0.32 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1ndf h LYS 524 CO -0.01 0.80 -0.56 -0.07 -2.27 0.00 0.00 179.45 177.35 1ndf h LEU 525 N 0.66 0.00 -0.48 5.20 3.38 -0.80 -2.60 115.31 120.67 1ndf h LEU 525 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 1ndf h LEU 525 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ndf h LEU 525 CO 0.01 0.56 -0.17 -0.61 0.09 0.00 0.00 178.44 178.32 1ndf h GLN 526 N 0.00 0.96 -0.42 1.13 5.75 -0.54 -1.54 115.11 120.46 1ndf h GLN 526 Ca -0.01 -0.39 0.01 0.00 -0.15 0.00 0.00 58.65 58.11 1ndf h GLN 526 Cb 1.01 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.49 1ndf h GLN 526 CO 0.07 1.06 0.27 0.00 -2.65 0.00 0.00 178.83 177.58 1ndf h ALA 527 N 0.87 0.53 -0.44 3.38 0.00 -1.16 0.21 119.26 122.66 1ndf h ALA 527 Ca 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ndf h ALA 527 Cb 0.74 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1ndf h ALA 527 CO 0.06 -0.04 0.26 0.82 0.00 0.00 0.00 179.25 180.35 1ndf h ILE 528 N 0.54 1.04 0.00 0.00 2.04 -1.30 -1.80 117.51 118.04 1ndf h ILE 528 Ca 0.16 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1ndf h ILE 528 Cb -0.04 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1ndf h ILE 528 CO -0.05 0.09 -0.43 -0.08 0.00 0.00 0.00 178.15 177.68 1ndf h GLU 529 N 0.52 0.00 -0.00 2.37 4.81 -0.68 -2.19 114.58 119.40 1ndf h GLU 529 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1ndf h GLU 529 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ndf h GLU 529 CO -0.08 0.43 -0.04 -0.25 -0.73 0.00 0.00 179.01 178.34 1ndf n ASP 530 N -4.00 0.22 -2.43 1.04 8.00 0.69 -4.92 116.55 115.16 1ndf n ASP 530 Ca -0.02 -0.56 -0.18 0.00 0.71 0.00 0.00 54.79 54.74 1ndf n ASP 530 Cb 0.46 -0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.46 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 -1.04 -2.44 -4.76 0.64 4.77 -0.74 -5.02 117.00 108.41 1ndf n LEU 531 Ca 0.17 -0.22 -0.28 0.00 -0.03 0.00 0.00 56.01 55.64 1ndf n LEU 531 Cb 0.22 -2.49 -0.06 0.00 -2.33 0.00 0.00 43.42 38.76 1ndf n LEU 531 CO 0.22 0.17 -0.27 0.68 -1.33 0.00 0.00 177.39 176.87 1ndf s VAL 532 N -3.04 4.35 0.35 4.08 -7.23 -0.82 -5.05 120.40 113.04 1ndf s VAL 532 Ca 0.23 -0.99 -0.26 0.00 -1.81 0.00 0.00 61.98 59.15 1ndf s VAL 532 Cb -0.10 -3.15 -0.13 0.00 0.56 0.00 0.00 36.38 33.56 1ndf s VAL 532 CO 0.29 0.01 0.95 -1.20 -0.31 0.00 0.00 175.10 174.84 1ndf n SER 533 N 0.11 1.01 -4.67 4.85 7.64 -1.26 -4.54 113.62 116.75 1ndf n SER 533 Ca -0.09 1.09 -0.42 0.00 1.01 0.00 0.00 58.87 60.46 1ndf n SER 533 Cb 0.53 -1.29 -0.03 0.00 -1.01 0.00 0.00 64.21 62.41 1ndf n SER 533 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1ndf s MET 534 N -1.72 4.14 0.40 1.43 1.75 -1.26 -4.90 119.30 119.14 1ndf s MET 534 Ca 0.61 2.59 -0.25 0.00 -1.25 0.00 0.00 55.69 57.39 1ndf s MET 534 Cb -0.64 -4.05 -0.11 0.00 2.84 0.00 0.00 34.83 32.87 1ndf s MET 534 CO 0.59 -0.93 1.00 -2.30 -0.65 0.00 0.00 175.02 172.73 1ndf n PRO 535 N 7.17 1.34 -0.12 4.11 -0.02 -1.26 -4.88 135.00 141.34 1ndf n PRO 535 Ca 0.19 0.48 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 1ndf n PRO 535 Cb 0.41 -2.01 0.43 0.00 -0.02 0.00 0.00 33.50 32.30 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 1.58 0.51 -0.54 2.55 3.32 -1.97 -1.95 116.42 119.92 1ndf h ASP 536 Ca -0.44 0.01 0.15 0.00 0.02 0.00 0.00 57.03 56.77 1ndf h ASP 536 Cb 1.34 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1ndf h ASP 536 CO 0.57 0.32 0.39 -0.29 -1.72 0.00 0.00 179.24 178.51 1ndf h ILE 537 N 0.57 0.74 0.00 0.35 2.10 -1.89 0.04 117.51 119.42 1ndf h ILE 537 Ca 0.29 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.22 1ndf h ILE 537 Cb 0.38 0.73 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 1ndf h ILE 537 CO -0.09 0.00 -0.60 0.49 -1.08 0.00 0.00 178.15 176.87 1ndf n PHE 538 N -4.38 0.19 0.89 2.19 0.99 -0.74 -3.53 117.46 113.07 1ndf n PHE 538 Ca 0.10 0.05 0.12 0.00 -0.00 0.00 0.00 57.45 57.72 1ndf n PHE 538 Cb 0.61 -0.39 0.12 0.00 -1.00 0.00 0.00 39.48 38.82 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 -1.73 2.34 -2.25 -1.08 2.81 -0.09 -4.79 117.12 112.33 1ndf n MET 539 Ca 0.04 -1.98 -0.41 0.00 -1.81 0.00 0.00 57.70 53.55 1ndf n MET 539 Cb 0.38 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.91 6.96 0.29 7.83 3.68 -0.66 -4.93 116.67 127.93 1ndf s ASP 540 Ca 0.30 2.53 0.01 0.00 2.13 0.00 0.00 52.55 57.51 1ndf s ASP 540 Cb 0.20 -2.64 0.55 0.00 -1.45 0.00 0.00 42.92 39.58 1ndf s ASP 540 CO 0.30 -0.39 1.86 0.74 0.13 0.00 0.00 175.17 177.82 1ndf h THR 541 N 3.08 0.97 -0.93 1.71 2.02 -1.92 -1.61 112.91 116.24 1ndf h THR 541 Ca -0.48 -0.35 0.05 0.00 0.77 0.00 0.00 66.41 66.40 1ndf h THR 541 Cb 1.22 -0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 1ndf h THR 541 CO 0.66 0.18 0.61 0.28 0.37 0.00 0.00 175.52 177.63 1ndf h SER 542 N 1.01 0.99 -0.51 4.18 0.02 -1.91 -1.48 113.55 115.84 1ndf h SER 542 Ca 0.46 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.29 1ndf h SER 542 Cb 0.39 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1ndf h SER 542 CO -0.22 0.66 -0.12 0.22 -1.14 0.00 0.00 176.83 176.24 1ndf h TYR 543 N 1.14 1.10 -0.79 3.45 5.03 -1.55 0.86 116.97 126.20 1ndf h TYR 543 Ca 0.38 -0.24 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1ndf h TYR 543 Cb 0.08 -0.27 -0.04 0.00 1.55 0.00 0.00 36.73 38.05 1ndf h TYR 543 CO -0.00 1.04 0.50 0.00 -1.32 0.00 0.00 178.16 178.38 1ndf h ALA 544 N 0.90 1.01 -0.19 1.82 0.00 -1.18 -0.47 119.26 121.16 1ndf h ALA 544 Ca 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ndf h ALA 544 Cb 0.68 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1ndf h ALA 544 CO 0.05 0.46 -0.04 0.82 0.00 0.00 0.00 179.25 180.53 1ndf h ILE 545 N 1.08 1.28 -0.39 0.00 2.04 -1.03 -2.51 117.51 117.99 1ndf h ILE 545 Ca 0.29 -1.01 0.05 0.00 1.00 0.00 0.00 64.86 65.19 1ndf h ILE 545 Cb -0.07 1.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1ndf h ILE 545 CO -0.06 0.30 0.26 0.00 0.00 0.00 0.00 178.15 178.66 1ndf h ALA 546 N 0.73 1.96 -0.22 1.87 0.00 -0.43 -2.13 119.26 121.04 1ndf h ALA 546 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ndf h ALA 546 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ndf h ALA 546 CO 0.02 -0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 1ndf n MET 547 N -4.48 2.13 -3.40 0.00 2.81 -0.22 -4.69 117.12 109.28 1ndf n MET 547 Ca 0.04 -1.70 -0.45 0.00 -1.81 0.00 0.00 57.70 53.79 1ndf n MET 547 Cb 0.22 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.23 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 -1.72 3.61 -0.91 2.03 5.04 -0.80 -5.02 115.29 117.51 1ndf s HIS 548 Ca 0.35 -1.98 -0.23 0.00 -1.54 0.00 0.00 55.06 51.66 1ndf s HIS 548 Cb 0.20 -3.70 0.06 0.00 0.04 0.00 0.00 32.58 29.18 1ndf s HIS 548 CO 0.30 -0.97 1.31 -0.06 -2.34 0.00 0.00 174.74 172.97 1ndf s PHE 549 N 0.44 2.61 0.46 3.88 0.08 -1.26 -4.50 117.98 119.68 1ndf s PHE 549 Ca 0.14 -0.76 0.35 0.00 0.12 0.00 0.00 56.93 56.78 1ndf s PHE 549 Cb -0.16 -4.57 1.81 0.00 -0.57 0.00 0.00 43.02 39.53 1ndf s PHE 549 CO -0.06 -1.85 2.18 -0.91 -0.10 0.00 0.00 175.22 174.48 1ndf h ASN 550 N 9.64 0.00 -3.47 1.36 2.35 -1.83 -3.37 115.58 120.26 1ndf h ASN 550 Ca 0.05 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.20 1ndf h ASN 550 Cb 1.03 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 39.02 1ndf h ASN 550 CO 1.31 0.04 -0.80 -0.76 -1.65 0.00 0.00 177.43 175.58 1ndf s LEU 551 N -6.72 2.21 -0.21 1.61 1.43 -1.22 0.83 118.68 116.61 1ndf s LEU 551 Ca -0.03 -0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 52.12 1ndf s LEU 551 Cb 0.12 -1.13 0.01 0.00 0.03 0.00 0.00 46.19 45.23 1ndf s LEU 551 CO 0.51 -0.19 -0.10 -0.55 0.23 0.00 0.00 176.35 176.25 1ndf s SER 552 N 1.46 3.91 0.19 2.29 0.15 -0.66 -1.16 113.70 119.87 1ndf s SER 552 Ca -0.02 -0.60 0.01 0.00 0.70 0.00 0.00 55.95 56.03 1ndf s SER 552 Cb -0.17 -1.63 -0.05 0.00 -1.71 0.00 0.00 66.02 62.46 1ndf s SER 552 CO -0.07 -0.04 0.05 0.42 1.20 0.00 0.00 173.24 174.80 1ndf s THR 553 N 1.37 0.45 -0.19 6.45 -4.23 0.80 -0.93 115.64 119.37 1ndf s THR 553 Ca 0.04 -1.97 -0.28 0.00 -1.18 0.00 0.00 61.69 58.30 1ndf s THR 553 Cb -0.14 -2.28 0.10 0.00 1.34 0.00 0.00 72.50 71.52 1ndf s THR 553 CO -0.07 -0.30 0.88 -0.94 -0.54 0.00 0.00 174.62 173.65 1ndf s SER 554 N -3.18 -0.53 -0.18 3.99 1.04 -0.98 -2.01 113.70 111.84 1ndf s SER 554 Ca 0.29 0.81 -0.07 0.00 0.48 0.00 0.00 55.95 57.46 1ndf s SER 554 Cb 0.07 0.74 -0.04 0.00 0.10 0.00 0.00 66.02 66.89 1ndf s SER 554 CO 0.07 -0.34 0.04 -1.58 0.98 0.00 0.00 173.24 172.41 1ndf s GLN 555 N -0.48 3.90 -0.54 4.02 0.74 -1.26 -2.49 119.66 123.55 1ndf s GLN 555 Ca -0.02 -0.39 0.04 0.00 0.05 0.00 0.00 55.36 55.04 1ndf s GLN 555 Cb -0.02 -3.15 0.16 0.00 1.10 0.00 0.00 33.01 31.09 1ndf s GLN 555 CO 0.01 0.25 0.38 0.08 -0.55 0.00 0.00 175.29 175.46 1ndf s VAL 556 N 0.42 1.61 0.36 1.34 1.01 -0.09 -4.96 120.40 120.09 1ndf s VAL 556 Ca 0.02 -3.30 -0.28 0.00 0.00 0.00 0.00 61.98 58.41 1ndf s VAL 556 Cb -0.13 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 1ndf s VAL 556 CO 0.01 -1.07 1.32 -2.84 0.00 0.00 0.00 175.10 172.52 1ndf s PRO 557 N -0.51 4.21 -0.00 2.72 0.02 -1.26 -4.42 135.00 135.76 1ndf s PRO 557 Ca 0.26 2.23 -0.18 0.00 0.02 0.00 0.00 61.00 63.33 1ndf s PRO 557 Cb -0.05 -2.96 0.03 0.00 0.02 0.00 0.00 34.50 31.54 1ndf s PRO 557 CO -0.14 -0.32 0.40 0.00 -0.33 0.00 0.00 177.00 176.61 1ndf s ALA 558 N -1.18 -1.00 0.19 -1.55 0.00 -1.26 -4.94 121.76 112.02 1ndf s ALA 558 Ca 0.52 0.48 0.11 0.00 0.00 0.00 0.00 51.96 53.06 1ndf s ALA 558 Cb -0.40 0.14 0.21 0.00 0.00 0.00 0.00 23.12 23.07 1ndf s ALA 558 CO 0.53 -0.33 1.52 0.87 0.00 0.00 0.00 175.76 178.34 1ndf h LYS 559 N 3.48 0.00 -6.87 0.00 1.57 -1.96 -3.44 116.57 109.35 1ndf h LYS 559 Ca -0.30 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.99 1ndf h LYS 559 Cb 1.18 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.50 1ndf h LYS 559 CO 0.41 0.70 0.44 0.99 -0.57 0.00 0.00 179.45 181.42 1ndf s THR 560 N -3.31 3.62 -1.40 -0.16 2.01 -1.26 -4.92 115.64 110.22 1ndf s THR 560 Ca -0.00 1.45 -0.15 0.00 0.31 0.00 0.00 61.69 63.29 1ndf s THR 560 Cb 0.11 -3.85 0.05 0.00 0.01 0.00 0.00 72.50 68.82 1ndf s THR 560 CO 0.77 0.21 2.06 -0.67 -0.69 0.00 0.00 174.62 176.30 1ndf n ASP 561 N 0.65 4.25 -4.55 3.53 2.03 -1.26 -4.87 116.55 116.32 1ndf n ASP 561 Ca 0.02 -2.87 -0.29 0.00 0.52 0.00 0.00 54.79 52.17 1ndf n ASP 561 Cb 0.47 -1.69 -0.09 0.00 -0.72 0.00 0.00 41.12 39.09 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 -2.97 0.04 0.34 0.00 0.11 -1.12 -4.68 120.40 112.12 1ndf s VAL 563 Ca 0.20 -0.32 0.09 0.00 -2.93 0.00 0.00 61.98 59.02 1ndf s VAL 563 Cb 0.05 -0.65 -0.05 0.00 -1.53 0.00 0.00 36.38 34.20 1ndf s VAL 563 CO 0.11 -0.18 0.06 -0.04 -3.33 0.00 0.00 175.10 171.72 1ndf s MET 564 N -0.99 2.17 0.15 1.54 -1.94 -1.26 -1.57 119.30 117.39 1ndf s MET 564 Ca -0.10 -1.70 -0.20 0.00 -1.71 0.00 0.00 55.69 51.97 1ndf s MET 564 Cb -0.04 -2.00 0.06 0.00 2.01 0.00 0.00 34.83 34.86 1ndf s MET 564 CO 0.04 0.12 0.52 -0.59 -0.01 0.00 0.00 175.02 175.10 1ndf s PHE 565 N -2.50 -0.40 0.11 -0.03 -0.12 -0.71 -4.51 117.98 109.82 1ndf s PHE 565 Ca 0.36 0.15 -0.25 0.00 -0.05 0.00 0.00 56.93 57.14 1ndf s PHE 565 Cb -0.00 0.44 0.08 0.00 -0.63 0.00 0.00 43.02 42.90 1ndf s PHE 565 CO 0.20 -0.79 0.65 -0.59 -0.05 0.00 0.00 175.22 174.65 1ndf s PHE 566 N -3.77 -0.52 0.70 3.49 -0.12 -1.26 -1.35 117.98 115.15 1ndf s PHE 566 Ca 0.02 0.40 -0.11 0.00 -0.05 0.00 0.00 56.93 57.19 1ndf s PHE 566 Cb 0.00 0.54 0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1ndf s PHE 566 CO -0.13 -0.78 1.07 0.20 -0.05 0.00 0.00 175.22 175.53 1ndf s GLY 567 N -2.54 1.69 0.77 1.99 0.00 -0.54 -4.49 107.32 104.19 1ndf s GLY 567 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 44.72 44.71 1ndf s GLY 567 CO -0.10 0.44 1.18 -4.14 0.00 0.00 0.00 173.10 170.48 1ndf s PRO 568 N -4.98 1.90 0.00 2.90 0.02 -1.26 -4.64 135.00 128.93 1ndf s PRO 568 Ca 0.59 1.66 0.25 0.00 0.02 0.00 0.00 61.00 63.52 1ndf s PRO 568 Cb -0.15 -1.82 0.42 0.00 0.02 0.00 0.00 34.50 32.98 1ndf s PRO 568 CO 0.54 -2.00 1.35 1.33 -0.33 0.00 0.00 177.00 177.90 1ndf n VAL 569 N -3.12 0.00 -4.13 3.83 0.24 -1.26 -4.90 118.33 109.00 1ndf n VAL 569 Ca 0.13 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.28 1ndf n VAL 569 Cb 0.51 0.43 -0.11 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.90 0.63 0.30 3.34 -7.23 -1.26 -4.97 120.40 108.30 1ndf s VAL 570 Ca 0.13 -1.59 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1ndf s VAL 570 Cb 0.18 -1.25 0.29 0.00 0.56 0.00 0.00 36.38 36.15 1ndf s VAL 570 CO 0.69 -0.68 1.86 -0.65 -0.31 0.00 0.00 175.10 176.01 1ndf h PRO 571 N 3.58 0.93 -1.09 4.82 0.11 -1.96 -2.69 132.00 135.70 1ndf h PRO 571 Ca -0.35 -0.06 -0.66 0.00 0.11 0.00 0.00 66.00 65.04 1ndf h PRO 571 Cb 1.18 -0.21 -0.32 0.00 0.11 0.00 0.00 31.00 31.76 1ndf h PRO 571 CO 0.55 0.62 0.51 -0.40 -0.21 0.00 0.00 178.00 179.07 1ndf n ASP 572 N -4.58 7.04 -2.76 -2.05 5.75 -1.26 -4.49 116.55 114.19 1ndf n ASP 572 Ca 0.17 -3.79 -0.14 0.00 -0.01 0.00 0.00 54.79 51.03 1ndf n ASP 572 Cb 0.33 -0.84 -0.04 0.00 -1.03 0.00 0.00 41.12 39.54 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 -0.82 3.55 3.32 6.12 0.00 -1.02 -4.79 105.19 111.56 1ndf n GLY 573 Ca 0.57 -1.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.52 1.73 -0.22 1.61 1.51 0.25 -4.31 117.35 115.39 1ndf s TYR 574 Ca 0.14 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1ndf s TYR 574 Cb 0.01 -0.85 0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1ndf s TYR 574 CO 0.10 0.31 -0.14 0.20 -1.11 0.00 0.00 175.55 174.91 1ndf s GLY 575 N -2.79 1.54 -0.10 0.71 0.00 -0.79 -1.66 107.32 104.22 1ndf s GLY 575 Ca 0.16 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.44 1ndf s GLY 575 CO 0.06 0.45 -0.15 -0.42 0.00 0.00 0.00 173.10 173.04 1ndf s ILE 576 N 1.23 1.42 0.07 0.90 1.01 -0.11 -1.09 121.20 124.64 1ndf s ILE 576 Ca -0.01 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1ndf s ILE 576 Cb -0.16 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1ndf s ILE 576 CO -0.08 0.42 -0.14 0.00 0.00 0.00 0.00 174.94 175.14 1ndf s TYR 578 N -1.31 -0.35 -0.32 0.00 1.13 -1.04 -1.27 117.35 114.19 1ndf s TYR 578 Ca -0.02 0.36 0.01 0.00 -1.41 0.00 0.00 57.07 56.01 1ndf s TYR 578 Cb -0.10 0.28 0.10 0.00 -1.10 0.00 0.00 41.96 41.14 1ndf s TYR 578 CO 0.02 -0.60 0.08 1.21 -2.51 0.00 0.00 175.55 173.75 1ndf s ASN 579 N -1.95 4.31 -0.10 -0.18 2.47 -0.21 -0.92 114.94 118.36 1ndf s ASN 579 Ca -0.06 -1.83 -0.30 0.00 0.42 0.00 0.00 52.86 51.10 1ndf s ASN 579 Cb -0.01 -1.17 -0.03 0.00 -1.45 0.00 0.00 41.25 38.60 1ndf s ASN 579 CO -0.02 -0.40 1.34 -2.84 -3.72 0.00 0.00 177.10 171.47 1ndf s PRO 580 N 1.34 4.25 0.58 0.43 0.02 -1.26 -2.14 135.00 138.21 1ndf s PRO 580 Ca 0.10 1.80 0.09 0.00 0.02 0.00 0.00 61.00 63.01 1ndf s PRO 580 Cb -0.18 -3.74 0.08 0.00 0.02 0.00 0.00 34.50 30.68 1ndf s PRO 580 CO -0.18 -0.67 0.70 -1.64 -0.33 0.00 0.00 177.00 174.88 1ndf s MET 581 N 3.24 2.27 0.14 5.54 -1.94 0.66 -4.79 119.30 124.41 1ndf s MET 581 Ca 0.60 -1.77 -0.15 0.00 -1.71 0.00 0.00 55.69 52.65 1ndf s MET 581 Cb -0.26 -2.49 0.01 0.00 2.01 0.00 0.00 34.83 34.10 1ndf s MET 581 CO 0.20 -0.83 1.70 1.49 -0.01 0.00 0.00 175.02 177.57 1ndf h GLU 582 N 0.30 0.63 -0.09 2.03 4.57 -1.95 -0.41 114.58 119.66 1ndf h GLU 582 Ca -0.31 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1ndf h GLU 582 Cb 1.29 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1ndf h GLU 582 CO 0.45 0.57 0.00 0.00 -1.18 0.00 0.00 179.01 178.84 1ndf n ALA 583 N -2.30 2.26 -3.62 2.92 0.00 -1.26 -1.40 120.51 117.10 1ndf n ALA 583 Ca 0.00 -0.83 -0.08 0.00 0.00 0.00 0.00 53.44 52.53 1ndf n ALA 583 Cb 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.74 0.10 -0.03 0.00 -3.43 -1.25 -3.24 115.29 106.70 1ndf s HIS 584 Ca 0.08 -0.58 0.01 0.00 -0.80 0.00 0.00 55.06 53.77 1ndf s HIS 584 Cb 0.05 0.57 0.02 0.00 -1.43 0.00 0.00 32.58 31.79 1ndf s HIS 584 CO 0.06 -1.26 -0.02 0.42 -2.00 0.00 0.00 174.74 171.95 1ndf s ILE 585 N -3.49 0.31 -0.23 -5.38 1.01 -0.02 -0.25 121.20 113.14 1ndf s ILE 585 Ca 0.16 -0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 1ndf s ILE 585 Cb -0.04 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 42.03 1ndf s ILE 585 CO 0.10 0.17 0.46 0.20 0.00 0.00 0.00 174.94 175.87 1ndf s ASN 586 N 0.91 6.43 0.13 3.58 0.02 -0.91 -0.63 114.94 124.47 1ndf s ASN 586 Ca -0.10 0.51 0.11 0.00 -1.02 0.00 0.00 52.86 52.36 1ndf s ASN 586 Cb -0.13 -2.26 -0.04 0.00 0.02 0.00 0.00 41.25 38.84 1ndf s ASN 586 CO -0.01 -0.19 -0.26 -0.36 0.02 0.00 0.00 177.10 176.30 1ndf s PHE 587 N 1.87 2.25 -0.01 2.20 0.08 0.96 -1.05 117.98 124.28 1ndf s PHE 587 Ca 0.20 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.90 1ndf s PHE 587 Cb -0.15 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1ndf s PHE 587 CO 0.09 0.33 -0.12 -1.54 -0.10 0.00 0.00 175.22 173.88 1ndf s SER 588 N -2.06 1.41 -0.06 1.36 1.04 -0.40 -0.93 113.70 114.08 1ndf s SER 588 Ca 0.13 -0.22 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 1ndf s SER 588 Cb -0.10 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 65.88 1ndf s SER 588 CO 0.06 0.15 -0.01 -0.69 0.98 0.00 0.00 173.24 173.73 1ndf s VAL 589 N -0.27 0.36 0.19 5.02 1.01 0.23 -2.55 120.40 124.39 1ndf s VAL 589 Ca 0.04 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.18 1ndf s VAL 589 Cb -0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 1ndf s VAL 589 CO -0.00 0.23 -0.20 -0.94 0.00 0.00 0.00 175.10 174.19 1ndf s SER 590 N 1.52 2.96 0.26 3.32 1.04 -0.25 -0.03 113.70 122.51 1ndf s SER 590 Ca -0.02 -0.89 -0.19 0.00 0.48 0.00 0.00 55.95 55.33 1ndf s SER 590 Cb -0.13 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.81 1ndf s SER 590 CO -0.03 0.00 0.64 0.00 0.98 0.00 0.00 173.24 174.83 1ndf s ALA 591 N -2.08 -1.00 -0.11 5.32 0.00 0.52 -1.89 121.76 122.52 1ndf s ALA 591 Ca 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 1ndf s ALA 591 Cb -0.06 0.90 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1ndf s ALA 591 CO 0.08 -0.96 -0.04 0.71 0.00 0.00 0.00 175.76 175.55 1ndf s TYR 592 N -3.93 3.01 0.22 0.00 2.02 -1.26 -0.78 117.35 116.63 1ndf s TYR 592 Ca 0.13 -0.08 0.29 0.00 -0.37 0.00 0.00 57.07 57.04 1ndf s TYR 592 Cb -0.04 -1.82 1.25 0.00 -0.40 0.00 0.00 41.96 40.95 1ndf s TYR 592 CO 0.05 0.21 1.96 -0.91 -1.57 0.00 0.00 175.55 175.29 1ndf h ASN 593 N 5.80 0.00 0.31 2.29 2.35 -1.10 -2.57 115.58 122.67 1ndf h ASN 593 Ca -0.42 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 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 0.57 0.13 0.00 -1.54 -1.65 0.00 0.00 177.43 174.93 1ndf n SER 594 N -3.35 0.01 -4.20 5.81 3.41 -1.26 -4.12 113.62 109.92 1ndf n SER 594 Ca -0.00 0.50 -0.37 0.00 -0.26 0.00 0.00 58.87 58.74 1ndf n SER 594 Cb 0.33 -0.51 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 1ndf n SER 594 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ndf h ALA 596 N 8.14 1.19 0.00 0.00 0.00 -1.84 -2.76 119.26 123.98 1ndf h ALA 596 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ndf h ALA 596 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1ndf h ALA 596 CO 0.64 0.04 0.00 0.39 0.00 0.00 0.00 179.25 180.32 1ndf n GLU 597 N -3.40 0.04 -4.35 0.00 4.71 -1.26 -4.80 120.64 111.58 1ndf n GLU 597 Ca -0.02 0.05 -0.31 0.00 -0.01 0.00 0.00 57.16 56.87 1ndf n GLU 597 Cb 0.15 -1.55 -0.10 0.00 -1.01 0.00 0.00 31.44 28.93 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 -3.02 3.57 -0.22 2.62 -4.23 -1.04 -5.10 115.64 108.21 1ndf s THR 598 Ca 0.13 -0.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1ndf s THR 598 Cb 0.17 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.52 1ndf s THR 598 CO 0.52 0.26 0.41 0.21 -0.54 0.00 0.00 174.62 175.49 1ndf s ASN 599 N -1.79 -0.10 0.15 3.99 3.84 -1.26 -4.89 114.94 114.87 1ndf s ASN 599 Ca 0.20 0.65 -0.17 0.00 0.21 0.00 0.00 52.86 53.75 1ndf s ASN 599 Cb -0.11 1.30 0.03 0.00 -0.55 0.00 0.00 41.25 41.91 1ndf s ASN 599 CO 0.11 -0.26 1.77 0.00 -2.79 0.00 0.00 177.10 175.93 1ndf h ALA 600 N 8.17 0.41 -0.63 1.71 0.00 -1.89 -1.02 119.26 126.01 1ndf h ALA 600 Ca -0.18 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ndf h ALA 600 Cb 1.13 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1ndf h ALA 600 CO 0.19 -0.21 0.39 0.00 0.00 0.00 0.00 179.25 179.63 1ndf h ALA 601 N 1.18 0.81 -0.25 0.00 0.00 -1.91 -0.32 119.26 118.77 1ndf h ALA 601 Ca 0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ndf h ALA 601 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1ndf h ALA 601 CO -0.10 0.16 0.06 -0.09 0.00 0.00 0.00 179.25 179.28 1ndf h ARG 602 N 0.78 0.40 -0.82 0.00 2.43 -1.92 -1.51 114.38 113.75 1ndf h ARG 602 Ca 0.25 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.37 1ndf h ARG 602 Cb -0.01 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 1ndf h ARG 602 CO -0.09 0.50 0.51 1.98 -1.51 0.00 0.00 179.97 181.35 1ndf h MET 603 N 0.24 0.92 -0.76 0.20 4.05 -0.83 -0.78 114.93 117.97 1ndf h MET 603 Ca 0.08 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 1ndf h MET 603 Cb 0.27 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1ndf h MET 603 CO 0.00 0.61 0.31 0.00 0.23 0.00 0.00 176.91 178.06 1ndf h ALA 604 N 1.37 0.99 -0.20 0.39 0.00 -0.80 -0.72 119.26 120.29 1ndf h ALA 604 Ca 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ndf h ALA 604 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1ndf h ALA 604 CO -0.15 0.61 0.08 0.45 0.00 0.00 0.00 179.25 180.24 1ndf h HIS 605 N 1.10 0.29 -0.27 0.00 -0.00 -0.45 -1.06 115.15 114.76 1ndf h HIS 605 Ca 0.26 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.54 1ndf h HIS 605 Cb 0.20 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1ndf h HIS 605 CO 0.02 0.33 -0.13 1.88 -0.00 0.00 0.00 177.93 180.02 1ndf h TYR 606 N 0.17 0.50 -0.25 2.45 -1.99 -0.99 -1.80 116.97 115.06 1ndf h TYR 606 Ca 0.07 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.68 1ndf h TYR 606 Cb 0.15 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.74 1ndf h TYR 606 CO -0.02 0.58 -0.01 1.25 -0.00 0.00 0.00 178.16 179.97 1ndf h LEU 607 N 0.43 0.45 -0.26 3.88 5.85 -0.94 0.67 115.31 125.39 1ndf h LEU 607 Ca 0.08 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1ndf h LEU 607 Cb 0.49 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1ndf h LEU 607 CO 0.03 0.65 0.07 -0.08 -0.34 0.00 0.00 178.44 178.78 1ndf h GLU 608 N 0.23 0.17 -0.34 1.25 4.81 -0.95 -1.41 114.58 118.33 1ndf h GLU 608 Ca 0.07 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.19 1ndf h GLU 608 Cb 0.43 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1ndf h GLU 608 CO 0.01 0.12 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.01 1ndf h LYS 609 N 0.18 0.64 -0.58 1.92 1.63 -1.23 -1.96 116.57 117.18 1ndf h LYS 609 Ca 0.12 -0.23 -0.04 0.00 -0.85 0.00 0.00 60.65 59.65 1ndf h LYS 609 Cb 0.10 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.66 1ndf h LYS 609 CO -0.13 0.79 0.22 0.00 -3.45 0.00 0.00 179.45 176.88 1ndf h ALA 610 N 1.23 0.75 -0.32 5.00 0.00 -0.52 0.17 119.26 125.57 1ndf h ALA 610 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ndf h ALA 610 Cb 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ndf h ALA 610 CO 0.04 0.38 0.20 -0.07 0.00 0.00 0.00 179.25 179.80 1ndf h LEU 611 N 0.80 0.38 -0.55 0.00 3.38 -1.01 -1.11 115.31 117.21 1ndf h LEU 611 Ca 0.19 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1ndf h LEU 611 Cb 0.22 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1ndf h LEU 611 CO -0.01 0.31 0.19 -0.07 0.09 0.00 0.00 178.44 178.95 1ndf h LEU 612 N 0.42 0.78 -1.23 1.67 3.38 -1.03 -2.13 115.31 117.17 1ndf h LEU 612 Ca 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ndf h LEU 612 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1ndf h LEU 612 CO -0.02 0.76 0.07 0.44 0.09 0.00 0.00 178.44 179.78 1ndf h ASP 613 N 0.76 0.56 -0.38 -0.43 3.32 -0.43 0.94 116.42 120.76 1ndf h ASP 613 Ca 0.18 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.99 1ndf h ASP 613 Cb 0.25 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1ndf h ASP 613 CO -0.01 0.58 -0.35 0.24 -1.72 0.00 0.00 179.24 177.98 1ndf h MET 614 N 0.58 0.92 -0.26 3.56 2.86 -0.95 -1.23 114.93 120.43 1ndf h MET 614 Ca 0.13 -0.47 -0.04 0.00 -2.06 0.00 0.00 59.70 57.27 1ndf h MET 614 Cb 0.27 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1ndf h MET 614 CO 0.00 1.12 0.01 -0.09 1.06 0.00 0.00 176.91 179.01 1ndf h ARG 615 N 0.76 0.45 -0.31 1.72 2.43 -0.86 -2.26 114.38 116.32 1ndf h ARG 615 Ca 0.07 -0.14 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1ndf h ARG 615 Cb 0.94 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 1ndf h ARG 615 CO 0.09 0.60 -0.04 1.15 -1.51 0.00 0.00 179.97 180.27 1ndf h THR 616 N 0.23 0.73 -0.32 0.20 2.02 -0.73 0.11 112.91 115.15 1ndf h THR 616 Ca 0.07 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.26 1ndf h THR 616 Cb 0.40 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1ndf h THR 616 CO 0.01 0.01 0.16 0.25 0.37 0.00 0.00 175.52 176.32 1ndf h LEU 617 N 0.04 0.24 -0.69 2.58 5.85 -1.14 -1.46 115.31 120.73 1ndf h LEU 617 Ca 0.15 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1ndf h LEU 617 Cb 0.22 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1ndf h LEU 617 CO -0.28 0.18 -0.02 -0.07 -0.34 0.00 0.00 178.44 177.91 1ndf h LEU 618 N 0.34 0.97 -1.47 2.25 3.38 -1.00 -2.79 115.31 116.98 1ndf h LEU 618 Ca 0.13 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1ndf h LEU 618 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1ndf h LEU 618 CO -0.09 1.04 -0.17 1.56 0.09 0.00 0.00 178.44 180.87 1ndf h GLN 619 N 0.90 0.13 -0.02 1.13 4.20 -0.51 -1.74 115.11 119.21 1ndf h GLN 619 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1ndf h GLN 619 Cb 0.56 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1ndf h GLN 619 CO 0.03 0.31 0.00 0.09 -0.67 0.00 0.00 178.83 178.59 1ndf n ASN 620 N -4.27 0.66 -3.10 1.46 5.03 -0.58 -4.31 115.26 110.15 1ndf n ASN 620 Ca -0.01 -1.28 -0.19 0.00 0.87 0.00 0.00 54.58 53.97 1ndf n ASN 620 Cb 0.27 -0.01 -0.03 0.00 -1.02 0.00 0.00 39.78 39.00 1ndf n ASN 620 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1ndf n HIS 621 N -0.46 -0.70 -2.27 3.10 8.25 -0.66 -5.08 115.22 117.41 1ndf n HIS 621 Ca 0.21 -3.34 -0.36 0.00 -0.26 0.00 0.00 57.72 53.97 1ndf n HIS 621 Cb 0.21 0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.33 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 -1.34 3.48 -1.27 -0.41 0.02 -1.23 -4.89 135.00 129.36 1ndf s PRO 622 Ca 0.35 1.65 -0.13 0.00 0.02 0.00 0.00 61.00 62.89 1ndf s PRO 622 Cb 0.26 -2.12 0.15 0.00 0.02 0.00 0.00 34.50 32.81 1ndf s PRO 622 CO -0.11 -0.75 1.70 0.54 -0.33 0.00 0.00 177.00 178.05 1ndf n ARG 623 N -1.07 3.39 0.00 5.54 1.74 -1.26 -3.94 116.66 121.06 1ndf n ARG 623 Ca 0.10 -3.55 0.00 0.00 -0.77 0.00 0.00 57.85 53.63 1ndf n ARG 623 Cb 0.50 -3.08 0.00 0.00 -1.02 0.00 0.00 32.46 28.86 1ndf n ARG 623 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ndf n ALA 624 N 5.41 0.00 -1.71 7.54 0.00 -1.26 -5.31 120.51 125.17 1ndf n ALA 624 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1ndf n ALA 624 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1ndf n ALA 624 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13