#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iai s PRO 0 N 0.00 3.50 -1.45 1.61 0.04 -1.26 -3.64 135.00 133.80 3iai s PRO 0 Ca 0.00 1.62 -0.07 0.00 0.04 0.00 0.00 61.00 62.59 3iai s PRO 0 Cb 0.00 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.48 3iai s PRO 0 CO 0.00 -0.73 0.75 -0.25 0.04 0.00 0.00 177.00 176.81 3iai n ASP 0 N -1.08 -2.50 0.22 6.66 8.00 -1.26 -4.85 116.55 121.74 3iai n ASP 0 Ca 0.10 -0.87 0.15 0.00 0.71 0.00 0.00 54.79 54.89 3iai n ASP 0 Cb 0.50 -3.64 0.80 0.00 -0.02 0.00 0.00 41.12 38.76 3iai n ASP 0 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 3iai h GLN 2 N -1.90 0.00 0.00 -1.24 5.75 -1.97 -1.84 115.11 113.92 3iai h GLN 2 Ca -0.60 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.90 3iai h GLN 2 Cb 1.37 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.92 3iai h GLN 2 CO 0.64 0.00 0.00 0.43 -2.65 0.00 0.00 178.83 177.25 3iai n SER 3 N -4.03 0.32 -4.75 -0.69 7.64 -1.26 -4.83 113.62 106.01 3iai n SER 3 Ca 0.00 0.56 -0.39 0.00 1.01 0.00 0.00 58.87 60.05 3iai n SER 3 Cb 0.24 -0.63 -0.05 0.00 -1.01 0.00 0.00 64.21 62.75 3iai n SER 3 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3iai s HIS 4 N -3.10 3.72 0.23 1.43 5.65 -0.69 -5.05 115.29 117.48 3iai s HIS 4 Ca 0.09 1.35 -0.22 0.00 0.25 0.00 0.00 55.06 56.52 3iai s HIS 4 Cb 0.12 -2.72 0.04 0.00 -1.18 0.00 0.00 32.58 28.84 3iai s HIS 4 CO 0.42 0.32 0.73 1.67 -0.65 0.00 0.00 174.74 177.23 3iai s TRP 5 N -0.16 -0.26 0.26 3.88 1.48 -1.26 -4.79 118.94 118.09 3iai s TRP 5 Ca 0.35 -0.13 -0.20 0.00 -1.06 0.00 0.00 56.10 55.06 3iai s TRP 5 Cb -0.19 0.67 0.02 0.00 -1.16 0.00 0.00 33.47 32.80 3iai s TRP 5 CO 0.20 -1.10 0.67 -0.98 -4.06 0.00 0.00 176.95 171.69 3iai s ARG 6 N -3.79 1.71 0.17 3.25 1.70 -1.26 -5.02 118.95 115.70 3iai s ARG 6 Ca 0.09 -0.98 -0.12 0.00 -0.47 0.00 0.00 55.73 54.24 3iai s ARG 6 Cb -0.04 0.59 -0.07 0.00 -0.57 0.00 0.00 34.95 34.86 3iai s ARG 6 CO 0.02 -0.77 0.54 0.71 -1.08 0.00 0.00 175.30 174.72 3iai s TYR 7 N -3.92 3.54 -0.93 5.89 1.51 -1.26 -4.40 117.35 117.78 3iai s TYR 7 Ca 0.12 0.98 0.00 0.00 -1.01 0.00 0.00 57.07 57.16 3iai s TYR 7 Cb -0.05 -2.32 0.00 0.00 -0.11 0.00 0.00 41.96 39.48 3iai s TYR 7 CO 0.05 0.38 0.00 0.41 -1.11 0.00 0.00 175.55 175.28 3iai n GLY 8 N 0.49 0.33 0.00 0.71 0.00 -1.26 -4.98 105.19 100.48 3iai n GLY 8 Ca -0.04 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3iai n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iai n GLY 9 N -1.24 0.62 3.59 -0.02 0.00 -1.26 -5.15 105.19 101.73 3iai n GLY 9 Ca -0.11 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 3iai n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iai n ASP 10 N 0.00 0.02 -4.80 1.61 5.75 -1.26 -4.62 116.55 113.25 3iai n ASP 10 Ca 0.00 0.58 -0.34 0.00 -0.01 0.00 0.00 54.79 55.02 3iai n ASP 10 Cb 0.00 -1.38 -0.02 0.00 -1.03 0.00 0.00 41.12 38.69 3iai n ASP 10 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 3iai s PRO 11 N -3.53 3.61 0.26 0.11 0.04 -1.26 -4.68 135.00 129.55 3iai s PRO 11 Ca 0.70 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 62.78 3iai s PRO 11 Cb -0.31 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.05 3iai s PRO 11 CO 0.54 -0.59 1.62 -2.14 0.04 0.00 0.00 177.00 176.48 3iai s PRO 15 N -3.48 4.13 0.33 0.56 0.02 -1.26 -4.80 135.00 130.50 3iai s PRO 15 Ca 0.67 2.57 0.06 0.00 0.02 0.00 0.00 61.00 64.32 3iai s PRO 15 Cb -0.17 -3.05 0.73 0.00 0.02 0.00 0.00 34.50 32.03 3iai s PRO 15 CO 0.26 -0.66 1.85 -1.49 -0.33 0.00 0.00 177.00 176.62 3iai h TRP 16 N 5.51 0.95 0.00 6.54 4.06 -1.93 -0.23 115.95 130.85 3iai h TRP 16 Ca -0.46 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.52 3iai h TRP 16 Cb 1.21 -0.30 -0.00 0.00 -1.00 0.00 0.00 29.16 29.08 3iai h TRP 16 CO 0.60 0.34 -0.01 -1.35 -3.56 0.00 0.00 178.44 174.46 3iai h PRO 17 N 0.79 0.00 0.01 0.49 0.11 -1.87 0.20 132.00 131.73 3iai h PRO 17 Ca 0.48 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.39 3iai h PRO 17 Cb 0.68 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.78 3iai h PRO 17 CO -0.25 0.01 -0.90 0.00 -0.21 0.00 0.00 178.00 176.65 3iai h ARG 18 N 0.00 0.15 -0.08 1.05 2.47 -1.40 -3.04 114.38 113.53 3iai h ARG 18 Ca -0.00 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.44 3iai h ARG 18 Cb 0.03 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 3iai h ARG 18 CO 0.00 0.95 -0.37 0.28 0.56 0.00 0.00 179.97 181.39 3iai h VAL 19 N 0.08 1.40 -2.48 2.04 2.07 -0.72 -3.45 116.25 115.19 3iai h VAL 19 Ca -0.04 -1.74 -0.08 0.00 0.82 0.00 0.00 66.70 65.65 3iai h VAL 19 Cb 1.55 2.27 -0.26 0.00 -1.52 0.00 0.00 31.29 33.32 3iai h VAL 19 CO 0.13 0.51 -0.32 -0.55 0.02 0.00 0.00 177.57 177.36 3iai s SER 20 N -6.47 -0.40 0.44 0.57 0.15 0.49 -4.98 113.70 103.50 3iai s SER 20 Ca -0.14 1.04 0.18 0.00 0.70 0.00 0.00 55.95 57.73 3iai s SER 20 Cb 0.04 1.31 1.11 0.00 -1.71 0.00 0.00 66.02 66.77 3iai s SER 20 CO 0.79 -0.22 1.93 -0.65 1.20 0.00 0.00 173.24 176.28 3iai h PRO 21 N 7.90 0.34 -0.00 5.44 0.11 -1.78 -0.99 132.00 143.02 3iai h PRO 21 Ca -0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3iai h PRO 21 Cb 1.13 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3iai h PRO 21 CO 0.16 0.22 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 3iai h ALA 22 N 1.65 1.06 0.00 -0.75 0.00 -1.88 -0.84 119.26 118.50 3iai h ALA 22 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3iai h ALA 22 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3iai h ALA 22 CO -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.14 3iai n ALA 24 N -1.22 2.48 -1.04 0.00 0.00 -0.32 -4.80 120.51 115.61 3iai n ALA 24 Ca 0.08 -2.04 -0.30 0.00 0.00 0.00 0.00 53.44 51.18 3iai n ALA 24 Cb 0.10 -0.46 0.14 0.00 0.00 0.00 0.00 19.45 19.23 3iai n ALA 24 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3iai s GLY 25 N -1.96 1.65 0.40 0.00 0.00 -0.47 -4.95 107.32 102.00 3iai s GLY 25 Ca 0.30 0.22 0.22 0.00 0.00 0.00 0.00 44.72 45.46 3iai s GLY 25 CO 0.07 0.66 1.68 -0.09 0.00 0.00 0.00 173.10 175.42 3iai h ARG 26 N -1.57 0.00 -2.93 2.90 2.43 -1.96 -3.38 114.38 109.87 3iai h ARG 26 Ca -0.47 0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.08 3iai h ARG 26 Cb 1.26 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 30.40 3iai h ARG 26 CO 0.50 0.24 -0.55 1.19 -1.51 0.00 0.00 179.97 179.84 3iai n PHE 27 N -3.25 3.39 -3.11 2.20 3.01 -1.26 -4.75 117.46 113.68 3iai n PHE 27 Ca 0.02 -4.27 -0.19 0.00 1.01 0.00 0.00 57.45 54.02 3iai n PHE 27 Cb 0.53 -0.64 0.02 0.00 -0.01 0.00 0.00 39.48 39.38 3iai n PHE 27 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3iai s GLN 28 N -1.67 2.62 0.17 -1.08 -1.52 -1.26 -3.87 119.66 113.04 3iai s GLN 28 Ca 0.28 -1.42 0.07 0.00 -1.95 0.00 0.00 55.36 52.34 3iai s GLN 28 Cb -0.01 -2.66 -0.04 0.00 -0.22 0.00 0.00 33.01 30.08 3iai s GLN 28 CO -0.14 -0.46 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.17 3iai s SER 29 N -4.42 2.40 0.85 5.90 0.01 -1.26 -4.57 113.70 112.61 3iai s SER 29 Ca 0.56 -0.91 -0.10 0.00 1.31 0.00 0.00 55.95 56.81 3iai s SER 29 Cb -0.08 -0.12 0.16 0.00 0.21 0.00 0.00 66.02 66.19 3iai s SER 29 CO 0.34 -0.13 1.18 -2.16 0.41 0.00 0.00 173.24 172.88 3iai s PRO 30 N -3.10 1.20 0.21 12.44 0.04 -1.26 -4.48 135.00 140.04 3iai s PRO 30 Ca 0.16 -0.59 0.01 0.00 0.04 0.00 0.00 61.00 60.63 3iai s PRO 30 Cb -0.03 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 3iai s PRO 30 CO 0.05 -1.94 0.05 0.14 0.04 0.00 0.00 177.00 175.34 3iai s VAL 31 N -3.57 0.56 -0.11 -0.36 -7.23 -1.26 -0.17 120.40 108.26 3iai s VAL 31 Ca 0.69 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.68 3iai s VAL 31 Cb -0.05 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 3iai s VAL 31 CO 0.49 -0.26 0.53 -0.62 -0.31 0.00 0.00 175.10 174.93 3iai s ASP 32 N -3.22 6.75 -0.27 4.85 3.68 -1.26 -3.02 116.67 124.17 3iai s ASP 32 Ca 0.30 0.89 -0.11 0.00 2.13 0.00 0.00 52.55 55.76 3iai s ASP 32 Cb 0.07 -2.32 -0.05 0.00 -1.45 0.00 0.00 42.92 39.17 3iai s ASP 32 CO 0.08 -0.04 0.21 -0.63 0.13 0.00 0.00 175.17 174.92 3iai s ILE 33 N 0.75 5.30 -0.46 4.11 1.01 0.14 -4.92 121.20 127.14 3iai s ILE 33 Ca 0.29 0.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.07 3iai s ILE 33 Cb -0.16 -3.55 0.12 0.00 0.01 0.00 0.00 42.46 38.88 3iai s ILE 33 CO 0.12 0.25 0.31 -0.13 0.00 0.00 0.00 174.94 175.49 3iai s ARG 34 N 1.72 2.38 0.31 2.79 0.52 -1.26 -0.10 118.95 125.31 3iai s ARG 34 Ca 0.08 -1.76 0.08 0.00 -0.52 0.00 0.00 55.73 53.60 3iai s ARG 34 Cb -0.16 -3.85 0.88 0.00 0.52 0.00 0.00 34.95 32.35 3iai s ARG 34 CO 0.10 -1.16 1.66 -1.35 0.02 0.00 0.00 175.30 174.57 3iai h PRO 35 N 8.37 0.27 -0.22 3.54 0.11 -1.96 0.50 132.00 142.60 3iai h PRO 35 Ca -0.20 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 3iai h PRO 35 Cb 1.07 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3iai h PRO 35 CO 0.82 0.18 0.13 -0.56 -0.21 0.00 0.00 178.00 178.36 3iai h GLN 36 N 0.28 0.30 -0.34 1.05 3.07 -2.01 -2.26 115.11 115.20 3iai h GLN 36 Ca 0.64 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.35 3iai h GLN 36 Cb 1.36 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 28.86 3iai h GLN 36 CO -0.63 0.22 0.00 1.28 0.09 0.00 0.00 178.83 179.79 3iai n LEU 37 N -4.48 3.07 -4.75 0.06 4.77 0.14 -4.93 117.00 110.88 3iai n LEU 37 Ca 0.00 -1.31 -0.40 0.00 -0.03 0.00 0.00 56.01 54.27 3iai n LEU 37 Cb 0.09 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 3iai n LEU 37 CO 0.35 0.66 0.68 0.00 -1.33 0.00 0.00 177.39 177.75 3iai s ALA 38 N -1.57 3.34 -0.33 -1.18 0.00 -0.85 -4.68 121.76 116.49 3iai s ALA 38 Ca 0.37 0.67 -0.24 0.00 0.00 0.00 0.00 51.96 52.76 3iai s ALA 38 Cb 0.22 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 20.09 3iai s ALA 38 CO 0.30 0.09 0.82 0.00 0.00 0.00 0.00 175.76 176.97 3iai s ALA 39 N -0.93 3.49 0.02 0.00 0.00 0.65 -4.77 121.76 120.23 3iai s ALA 39 Ca 0.43 -0.46 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 3iai s ALA 39 Cb -0.27 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 3iai s ALA 39 CO 0.33 -1.32 1.73 0.12 0.00 0.00 0.00 175.76 176.62 3iai s PHE 40 N 3.08 2.00 -0.45 0.00 5.99 -1.26 -0.70 117.98 126.64 3iai s PHE 40 Ca 0.33 0.08 0.03 0.00 0.00 0.00 0.00 56.93 57.37 3iai s PHE 40 Cb -0.14 -4.02 0.13 0.00 0.00 0.00 0.00 43.02 38.99 3iai s PHE 40 CO 0.14 -4.31 0.21 -1.12 -0.00 0.00 0.00 175.22 170.15 3iai s SER 41 N 3.19 4.08 0.00 6.13 0.01 -0.16 -4.88 113.70 122.07 3iai s SER 41 Ca 0.77 -2.65 0.00 0.00 1.31 0.00 0.00 55.95 55.38 3iai s SER 41 Cb -0.39 -1.34 0.00 0.00 0.21 0.00 0.00 66.02 64.51 3iai s SER 41 CO 0.34 -0.28 0.76 -0.81 0.41 0.00 0.00 173.24 173.66 3iai n PRO 42 N 3.55 0.00 0.12 12.44 -0.04 -1.26 -1.06 135.00 148.75 3iai n PRO 42 Ca 0.06 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 3iai n PRO 42 Cb 0.35 -1.57 0.36 0.00 -0.04 0.00 0.00 33.50 32.60 3iai n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iai h ALA 43 N 1.63 0.99 -1.57 0.55 0.00 -1.94 -3.43 119.26 115.49 3iai h ALA 43 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3iai h ALA 43 Cb 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3iai h ALA 43 CO 0.00 0.00 1.11 -0.51 0.00 0.00 0.00 179.25 179.85 3iai s LEU 44 N -4.83 3.38 0.58 0.00 1.43 -0.23 -5.01 118.68 114.01 3iai s LEU 44 Ca 0.10 0.24 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3iai s LEU 44 Cb 0.11 -3.00 0.03 0.00 0.03 0.00 0.00 46.19 43.36 3iai s LEU 44 CO 0.61 -1.74 0.84 0.00 0.23 0.00 0.00 176.35 176.29 3iai s ARG 45 N 5.58 2.57 0.35 1.70 1.70 -1.26 -4.84 118.95 124.75 3iai s ARG 45 Ca 0.52 -0.50 -0.28 0.00 -0.47 0.00 0.00 55.73 54.99 3iai s ARG 45 Cb -0.11 -2.39 -0.12 0.00 -0.57 0.00 0.00 34.95 31.77 3iai s ARG 45 CO 0.24 -0.79 1.40 -2.30 -1.08 0.00 0.00 175.30 172.78 3iai n PRO 46 N -2.49 2.42 -2.13 3.89 -0.02 -1.26 -4.92 135.00 130.49 3iai n PRO 46 Ca 0.07 0.85 -0.37 0.00 -2.02 0.00 0.00 63.50 62.02 3iai n PRO 46 Cb 0.59 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3iai n PRO 46 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iai s LEU 47 N -1.47 3.98 -0.15 2.45 1.43 -0.26 -4.90 118.68 119.76 3iai s LEU 47 Ca 0.55 2.44 0.02 0.00 -1.03 0.00 0.00 54.13 56.11 3iai s LEU 47 Cb -0.52 -4.23 0.01 0.00 0.03 0.00 0.00 46.19 41.48 3iai s LEU 47 CO 0.62 -1.08 -0.20 -1.61 0.23 0.00 0.00 176.35 174.31 3iai s GLU 48 N -2.72 3.05 -0.21 1.70 2.02 -1.08 -4.91 118.70 116.55 3iai s GLU 48 Ca 0.65 -0.83 -0.01 0.00 0.02 0.00 0.00 54.97 54.80 3iai s GLU 48 Cb -0.32 -2.50 0.06 0.00 0.10 0.00 0.00 34.13 31.47 3iai s GLU 48 CO 0.39 -0.05 -0.02 -0.51 0.02 0.00 0.00 175.26 175.09 3iai s LEU 49 N 0.91 1.89 0.14 1.80 1.02 -1.26 -1.00 118.68 122.18 3iai s LEU 49 Ca -0.04 -0.96 0.11 0.00 0.02 0.00 0.00 54.13 53.26 3iai s LEU 49 Cb -0.15 -0.91 -0.04 0.00 0.02 0.00 0.00 46.19 45.11 3iai s LEU 49 CO -0.04 -0.25 -0.27 -0.76 0.02 0.00 0.00 176.35 175.05 3iai s LEU 50 N 1.61 2.34 -0.00 1.79 1.43 0.32 -4.68 118.68 121.48 3iai s LEU 50 Ca -0.03 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 3iai s LEU 50 Cb -0.18 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.83 3iai s LEU 50 CO -0.07 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.29 3iai n GLY 50 N 0.82 0.49 0.06 -3.19 0.00 -1.26 -0.94 105.19 101.17 3iai n GLY 50 Ca -0.17 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 45.89 3iai n GLY 50 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iai n PHE 51 N -2.99 0.49 -2.91 1.61 3.01 -1.26 -4.40 117.46 111.00 3iai n PHE 51 Ca -0.00 0.14 -0.44 0.00 1.01 0.00 0.00 57.45 58.16 3iai n PHE 51 Cb 0.00 -0.69 -0.01 0.00 -0.01 0.00 0.00 39.48 38.77 3iai n PHE 51 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3iai s GLN 52 N -3.07 3.80 0.00 -1.08 -0.21 -1.26 -1.03 119.66 116.81 3iai s GLN 52 Ca 0.11 -2.07 0.00 0.00 0.02 0.00 0.00 55.36 53.42 3iai s GLN 52 Cb 0.15 -5.01 0.00 0.00 1.00 0.00 0.00 33.01 29.15 3iai s GLN 52 CO 0.61 -1.80 0.00 1.28 -2.12 0.00 0.00 175.29 173.26 3iai n LEU 53 N 6.31 0.00 0.10 2.90 4.77 -1.16 -4.95 117.00 124.98 3iai n LEU 53 Ca 0.30 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 56.11 3iai n LEU 53 Cb 0.47 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 3iai n LEU 53 CO 0.56 -0.02 -0.12 -0.65 -1.33 0.00 0.00 177.39 175.83 3iai h PRO 54 N 0.00 0.31 -5.72 3.23 0.11 -1.96 -3.35 132.00 124.62 3iai h PRO 54 Ca 0.00 -0.53 -0.49 0.00 0.11 0.00 0.00 66.00 65.09 3iai h PRO 54 Cb 0.00 0.20 -0.23 0.00 0.11 0.00 0.00 31.00 31.08 3iai h PRO 54 CO 0.00 1.24 -0.81 -0.51 -0.21 0.00 0.00 178.00 177.71 3iai s LEU 54 N -7.19 2.25 0.87 2.35 1.43 -1.26 -0.83 118.68 116.29 3iai s LEU 54 Ca -0.06 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 52.33 3iai s LEU 54 Cb 0.07 -0.72 0.11 0.00 0.03 0.00 0.00 46.19 45.68 3iai s LEU 54 CO 0.89 0.02 1.12 -2.16 0.23 0.00 0.00 176.35 176.45 3iai s PRO 55 N -1.60 1.51 0.77 1.29 0.04 -1.26 -4.97 135.00 130.78 3iai s PRO 55 Ca 0.03 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 61.42 3iai s PRO 55 Cb -0.09 -1.87 0.05 0.00 0.04 0.00 0.00 34.50 32.63 3iai s PRO 55 CO 0.03 -1.98 1.11 -1.21 0.04 0.00 0.00 177.00 174.98 3iai s GLU 56 N -5.20 2.32 0.12 4.56 2.02 -1.26 -4.08 118.70 117.19 3iai s GLU 56 Ca 0.63 0.47 0.11 0.00 0.02 0.00 0.00 54.97 56.19 3iai s GLU 56 Cb -0.15 -1.96 -0.04 0.00 0.10 0.00 0.00 34.13 32.08 3iai s GLU 56 CO 0.54 -1.42 -0.27 -0.51 0.02 0.00 0.00 175.26 173.63 3iai s LEU 57 N -5.60 2.32 -0.02 1.80 1.02 0.41 -4.88 118.68 113.73 3iai s LEU 57 Ca 0.60 -0.73 -0.26 0.00 0.02 0.00 0.00 54.13 53.76 3iai s LEU 57 Cb -0.13 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.81 3iai s LEU 57 CO 0.52 0.19 0.81 -0.60 0.02 0.00 0.00 176.35 177.29 3iai s ARG 58 N -1.99 4.49 -0.16 1.70 3.52 -1.26 -0.33 118.95 124.92 3iai s ARG 58 Ca 0.14 1.10 0.01 0.00 -0.13 0.00 0.00 55.73 56.85 3iai s ARG 58 Cb -0.10 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.86 3iai s ARG 58 CO 0.06 0.07 -0.18 -1.17 -0.81 0.00 0.00 175.30 173.27 3iai s LEU 59 N 0.69 2.28 0.02 -0.88 2.96 -0.01 -1.04 118.68 122.69 3iai s LEU 59 Ca 0.42 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 3iai s LEU 59 Cb -0.19 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.97 3iai s LEU 59 CO 0.22 0.05 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.61 3iai s ARG 60 N 0.99 0.70 -0.52 1.98 3.52 0.42 -1.19 118.95 124.86 3iai s ARG 60 Ca -0.02 -0.51 -0.17 0.00 -0.13 0.00 0.00 55.73 54.89 3iai s ARG 60 Cb -0.15 -0.64 0.09 0.00 -1.56 0.00 0.00 34.95 32.69 3iai s ARG 60 CO -0.04 0.16 0.52 1.21 -0.81 0.00 0.00 175.30 176.34 3iai s ASN 61 N -0.74 6.18 0.00 -2.12 3.84 -0.50 -0.03 114.94 121.57 3iai s ASN 61 Ca -0.00 -1.37 0.18 0.00 0.21 0.00 0.00 52.86 51.88 3iai s ASN 61 Cb -0.06 -2.23 0.52 0.00 -0.55 0.00 0.00 41.25 38.93 3iai s ASN 61 CO 0.00 -0.83 1.42 -0.46 -2.79 0.00 0.00 177.10 174.44 3iai n ASN 62 N 5.62 2.53 0.00 -4.21 0.23 -0.95 -0.31 115.26 118.17 3iai n ASN 62 Ca -0.11 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 3iai n ASN 62 Cb 0.43 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.87 3iai n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iai n GLY 63 N 1.29 3.17 0.01 4.83 0.00 -1.26 -4.74 105.19 108.48 3iai n GLY 63 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 3iai n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3iai n HIS 64 N -1.59 0.00 -3.98 1.61 8.25 -1.26 -4.19 115.22 114.06 3iai n HIS 64 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3iai n HIS 64 Cb 0.00 -0.35 0.01 0.00 1.12 0.00 0.00 29.99 30.77 3iai n HIS 64 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3iai n SER 65 N -2.02 -0.80 -4.42 0.41 2.88 -1.26 -4.89 113.62 103.51 3iai n SER 65 Ca -0.03 -1.13 -0.35 0.00 -1.33 0.00 0.00 58.87 56.03 3iai n SER 65 Cb 0.41 1.24 -0.13 0.00 -0.75 0.00 0.00 64.21 64.98 3iai n SER 65 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3iai s VAL 66 N -2.04 3.85 -0.08 2.46 0.11 -1.26 -2.23 120.40 121.22 3iai s VAL 66 Ca 0.22 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 58.97 3iai s VAL 66 Cb -0.00 -2.74 -0.01 0.00 -1.53 0.00 0.00 36.38 32.09 3iai s VAL 66 CO -0.01 0.43 -0.22 -1.58 -3.33 0.00 0.00 175.10 170.38 3iai s GLN 67 N 1.09 2.76 -0.24 1.54 0.74 0.96 -3.61 119.66 122.89 3iai s GLN 67 Ca 0.02 -0.85 -0.07 0.00 0.05 0.00 0.00 55.36 54.51 3iai s GLN 67 Cb -0.14 -2.27 -0.03 0.00 1.10 0.00 0.00 33.01 31.66 3iai s GLN 67 CO 0.01 0.34 0.06 -1.17 -0.55 0.00 0.00 175.29 173.98 3iai s LEU 68 N -0.04 3.42 -0.16 3.68 2.96 -0.23 -0.44 118.68 127.87 3iai s LEU 68 Ca -0.06 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.36 3iai s LEU 68 Cb -0.15 -1.91 -0.00 0.00 0.50 0.00 0.00 46.19 44.63 3iai s LEU 68 CO 0.05 -0.02 1.01 -0.89 -1.32 0.00 0.00 176.35 175.18 3iai s THR 69 N 1.50 4.74 0.04 3.68 2.01 -0.20 -1.93 115.64 125.49 3iai s THR 69 Ca 0.06 2.01 -0.09 0.00 0.31 0.00 0.00 61.69 63.98 3iai s THR 69 Cb -0.15 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.01 3iai s THR 69 CO 0.03 -0.08 0.36 -0.76 -0.69 0.00 0.00 174.62 173.48 3iai s LEU 70 N 2.55 4.37 0.75 4.42 1.43 -0.65 -4.28 118.68 127.26 3iai s LEU 70 Ca 0.46 0.74 -0.08 0.00 -1.03 0.00 0.00 54.13 54.21 3iai s LEU 70 Cb -0.17 -2.82 0.08 0.00 0.03 0.00 0.00 46.19 43.31 3iai s LEU 70 CO 0.12 0.22 1.07 -2.16 0.23 0.00 0.00 176.35 175.84 3iai s PRO 71 N -1.74 2.01 0.77 1.29 0.04 -1.26 -4.75 135.00 131.35 3iai s PRO 71 Ca 0.30 -0.22 -0.13 0.00 0.04 0.00 0.00 61.00 60.99 3iai s PRO 71 Cb -0.14 -2.10 0.06 0.00 0.04 0.00 0.00 34.50 32.35 3iai s PRO 71 CO 0.16 -1.41 1.15 -2.14 0.04 0.00 0.00 177.00 174.80 3iai s PRO 72 N -5.36 2.05 0.00 0.56 0.02 -1.26 -4.07 135.00 126.94 3iai s PRO 72 Ca 0.62 1.50 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3iai s PRO 72 Cb -0.10 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.57 3iai s PRO 72 CO 0.46 -1.85 0.00 0.41 -0.33 0.00 0.00 177.00 175.69 3iai n GLY 76 N -0.20 1.94 3.47 0.52 0.00 -1.26 -5.04 105.19 104.61 3iai n GLY 76 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3iai n GLY 76 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iai s LEU 77 N 0.00 4.50 -0.05 0.99 1.02 -1.26 -4.36 118.68 119.52 3iai s LEU 77 Ca 0.00 -1.47 -0.17 0.00 0.02 0.00 0.00 54.13 52.51 3iai s LEU 77 Cb 0.00 -2.44 -0.05 0.00 0.02 0.00 0.00 46.19 43.72 3iai s LEU 77 CO 0.00 -1.31 0.46 -1.61 0.02 0.00 0.00 176.35 173.91 3iai s GLU 78 N 3.68 4.17 0.02 1.70 2.02 -0.12 -1.10 118.70 129.07 3iai s GLU 78 Ca 0.30 0.46 0.03 0.00 0.02 0.00 0.00 54.97 55.78 3iai s GLU 78 Cb -0.09 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 3iai s GLU 78 CO -0.00 0.42 -0.08 1.41 0.02 0.00 0.00 175.26 177.02 3iai s MET 79 N -0.22 0.57 -0.04 1.61 1.75 -0.03 -0.52 119.30 122.41 3iai s MET 79 Ca 0.25 -0.54 0.02 0.00 -1.25 0.00 0.00 55.69 54.18 3iai s MET 79 Cb -0.16 -0.47 0.01 0.00 2.84 0.00 0.00 34.83 37.05 3iai s MET 79 CO 0.12 0.11 -0.10 0.00 -0.65 0.00 0.00 175.02 174.50 3iai s ALA 80 N -0.80 1.04 -0.60 4.11 0.00 -0.17 0.22 121.76 125.56 3iai s ALA 80 Ca -0.03 -0.36 0.24 0.00 0.00 0.00 0.00 51.96 51.80 3iai s ALA 80 Cb -0.07 -0.43 0.20 0.00 0.00 0.00 0.00 23.12 22.82 3iai s ALA 80 CO 0.00 0.13 1.17 1.28 0.00 0.00 0.00 175.76 178.35 3iai n LEU 81 N 3.52 0.66 -3.84 0.00 4.77 -0.62 -2.64 117.00 118.85 3iai n LEU 81 Ca -0.21 0.12 0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3iai n LEU 81 Cb 0.53 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3iai n LEU 81 CO 0.25 -0.02 1.19 -0.83 -1.33 0.00 0.00 177.39 176.65 3iai s GLY 82 N -3.70 -0.32 0.10 -0.72 0.00 -1.25 -4.62 107.32 96.81 3iai s GLY 82 Ca 0.05 0.45 -0.31 0.00 0.00 0.00 0.00 44.72 44.91 3iai s GLY 82 CO 0.76 4.06 1.89 -1.55 0.00 0.00 0.00 173.10 178.26 3iai n PRO 84 N -0.78 2.85 -1.01 2.90 -0.04 -1.26 -1.55 135.00 136.10 3iai n PRO 84 Ca -0.00 1.04 -0.00 0.00 -0.04 0.00 0.00 63.50 64.49 3iai n PRO 84 Cb 0.60 -2.96 -0.00 0.00 -0.04 0.00 0.00 33.50 31.11 3iai n PRO 84 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iai n GLY 85 N 4.35 0.42 2.85 0.55 0.00 -1.26 -4.95 105.19 107.14 3iai n GLY 85 Ca 0.19 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3iai n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iai n ARG 86 N -2.23 1.98 -3.94 1.61 1.74 -0.60 -5.08 116.66 110.15 3iai n ARG 86 Ca -0.00 -4.52 -0.31 0.00 -0.77 0.00 0.00 57.85 52.25 3iai n ARG 86 Cb 0.11 -2.29 -0.04 0.00 -1.02 0.00 0.00 32.46 29.21 3iai n ARG 86 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3iai s GLU 87 N -1.62 3.35 0.18 5.56 2.02 -1.26 -1.59 118.70 125.34 3iai s GLU 87 Ca 0.27 -0.49 -0.02 0.00 0.02 0.00 0.00 54.97 54.76 3iai s GLU 87 Cb -0.02 -2.99 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 3iai s GLU 87 CO -0.15 0.60 0.13 0.71 0.02 0.00 0.00 175.26 176.57 3iai s TYR 88 N -1.50 0.99 -0.02 1.61 1.51 0.13 -2.01 117.35 118.06 3iai s TYR 88 Ca 0.34 -1.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.15 3iai s TYR 88 Cb -0.13 -0.48 0.00 0.00 -0.11 0.00 0.00 41.96 41.24 3iai s TYR 88 CO 0.27 -0.62 -0.08 -0.98 -1.11 0.00 0.00 175.55 173.03 3iai s ARG 89 N -4.11 0.85 0.36 -0.62 1.70 -0.62 -0.85 118.95 115.66 3iai s ARG 89 Ca 0.32 -0.29 -0.27 0.00 -0.47 0.00 0.00 55.73 55.03 3iai s ARG 89 Cb 0.07 -0.81 -0.09 0.00 -0.57 0.00 0.00 34.95 33.55 3iai s ARG 89 CO 0.08 0.12 1.17 0.00 -1.08 0.00 0.00 175.30 175.59 3iai s ALA 90 N 0.11 3.27 -0.12 7.88 0.00 -0.26 -0.68 121.76 131.95 3iai s ALA 90 Ca -0.02 0.99 -0.01 0.00 0.00 0.00 0.00 51.96 52.92 3iai s ALA 90 Cb -0.07 -3.38 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 3iai s ALA 90 CO 0.00 -0.44 -0.12 1.28 0.00 0.00 0.00 175.76 176.48 3iai n LEU 91 N 0.45 2.47 -3.66 0.00 4.77 0.47 -4.78 117.00 116.72 3iai n LEU 91 Ca 0.02 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 3iai n LEU 91 Cb 0.45 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3iai n LEU 91 CO 0.52 0.59 0.82 0.00 -1.33 0.00 0.00 177.39 177.99 3iai s GLN 92 N -2.23 0.87 0.04 3.23 1.03 -1.21 -1.64 119.66 119.74 3iai s GLN 92 Ca -0.16 -0.45 0.01 0.00 0.04 0.00 0.00 55.36 54.80 3iai s GLN 92 Cb 0.05 0.32 -0.02 0.00 0.03 0.00 0.00 33.01 33.38 3iai s GLN 92 CO 0.25 -0.39 -0.05 -0.48 -2.54 0.00 0.00 175.29 172.08 3iai s LEU 93 N -2.81 2.28 0.35 2.60 0.05 -0.81 -0.75 118.68 119.59 3iai s LEU 93 Ca 0.11 -0.60 -0.08 0.00 0.05 0.00 0.00 54.13 53.62 3iai s LEU 93 Cb 0.00 -0.02 0.02 0.00 -2.05 0.00 0.00 46.19 44.14 3iai s LEU 93 CO -0.02 -0.29 0.58 -1.38 -0.55 0.00 0.00 176.35 174.69 3iai s HIS 94 N -1.76 0.68 0.18 3.48 -3.43 -0.38 -1.06 115.29 112.99 3iai s HIS 94 Ca -0.10 -1.07 0.05 0.00 -0.80 0.00 0.00 55.06 53.15 3iai s HIS 94 Cb -0.08 0.25 -0.05 0.00 -1.43 0.00 0.00 32.58 31.28 3iai s HIS 94 CO -0.01 -1.26 -0.10 -0.51 -2.00 0.00 0.00 174.74 170.85 3iai s LEU 95 N -3.16 2.50 -0.05 5.38 1.43 -1.24 -1.01 118.68 122.54 3iai s LEU 95 Ca 0.25 -1.05 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 3iai s LEU 95 Cb -0.02 -0.45 0.01 0.00 0.03 0.00 0.00 46.19 45.76 3iai s LEU 95 CO 0.16 -0.30 -0.08 -1.00 0.23 0.00 0.00 176.35 175.36 3iai s HIS 96 N -3.22 1.01 0.30 0.29 3.76 -0.44 -4.60 115.29 112.39 3iai s HIS 96 Ca 0.20 -0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 54.78 3iai s HIS 96 Cb 0.02 -0.79 -0.01 0.00 1.11 0.00 0.00 32.58 32.91 3iai s HIS 96 CO 0.04 -0.19 0.37 1.67 -0.85 0.00 0.00 174.74 175.78 3iai s TRP 97 N 0.65 1.08 0.00 1.40 -2.14 -1.21 -1.02 118.94 117.70 3iai s TRP 97 Ca -0.11 -1.28 0.00 0.00 2.66 0.00 0.00 56.10 57.37 3iai s TRP 97 Cb -0.14 -0.24 0.00 0.00 -3.10 0.00 0.00 33.47 29.99 3iai s TRP 97 CO 0.01 -0.97 0.00 0.41 -2.66 0.00 0.00 176.95 173.75 3iai n GLY 98 N -0.48 0.64 2.07 3.67 0.00 -1.22 -1.90 105.19 107.97 3iai n GLY 98 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3iai n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iai n ALA 99 N -3.00 -0.87 -1.66 4.61 0.00 -0.32 -1.69 120.51 117.58 3iai n ALA 99 Ca 0.00 -0.74 -0.55 0.00 0.00 0.00 0.00 53.44 52.15 3iai n ALA 99 Cb 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 19.45 19.97 3iai n ALA 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iai n ALA 100 N -1.65 0.20 -2.08 0.00 0.00 -1.26 -0.52 120.51 115.19 3iai n ALA 100 Ca -0.09 0.30 -0.20 0.00 0.00 0.00 0.00 53.44 53.45 3iai n ALA 100 Cb 0.33 -2.32 -0.04 0.00 0.00 0.00 0.00 19.45 17.43 3iai n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iai n GLY 101 N 4.68 0.41 2.85 0.00 0.00 -1.26 -4.98 105.19 106.90 3iai n GLY 101 Ca 0.29 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 46.09 3iai n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iai s ARG 102 N -4.51 0.09 0.72 1.61 0.52 0.32 -5.15 118.95 112.54 3iai s ARG 102 Ca 0.00 0.52 -0.14 0.00 -0.52 0.00 0.00 55.73 55.59 3iai s ARG 102 Cb 0.00 -0.44 0.03 0.00 0.52 0.00 0.00 34.95 35.06 3iai s ARG 102 CO 0.00 -0.38 1.16 -1.25 0.02 0.00 0.00 175.30 174.85 3iai s PRO 103 N 2.32 2.34 -0.00 3.54 0.04 -1.26 -1.18 135.00 140.80 3iai s PRO 103 Ca 0.03 1.56 0.05 0.00 0.04 0.00 0.00 61.00 62.68 3iai s PRO 103 Cb -0.13 -1.88 0.09 0.00 0.04 0.00 0.00 34.50 32.62 3iai s PRO 103 CO -0.08 -1.64 1.04 0.41 0.04 0.00 0.00 177.00 176.77 3iai n GLY 104 N -0.09 0.71 3.70 0.56 0.00 0.22 -4.42 105.19 105.86 3iai n GLY 104 Ca 0.12 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3iai n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iai s SER 105 N -1.24 3.32 -0.17 1.61 1.04 -0.53 -3.36 113.70 114.38 3iai s SER 105 Ca 0.07 1.63 -0.15 0.00 0.48 0.00 0.00 55.95 57.99 3iai s SER 105 Cb 0.08 -2.29 -0.11 0.00 0.10 0.00 0.00 66.02 63.81 3iai s SER 105 CO -0.03 -2.76 0.02 -0.33 0.98 0.00 0.00 173.24 171.12 3iai h GLU 106 N -1.63 0.00 -7.24 4.02 5.08 -1.89 -3.46 114.58 109.46 3iai h GLU 106 Ca -0.49 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.38 3iai h GLU 106 Cb 1.28 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.57 3iai h GLU 106 CO 0.52 0.47 0.38 -1.01 -1.00 0.00 0.00 179.01 178.37 3iai s HIS 107 N -2.28 3.35 0.13 4.33 3.76 -1.26 -4.65 115.29 118.67 3iai s HIS 107 Ca -0.21 1.44 0.04 0.00 -0.15 0.00 0.00 55.06 56.18 3iai s HIS 107 Cb 0.04 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.85 3iai s HIS 107 CO 0.39 -0.69 -0.11 0.95 -0.85 0.00 0.00 174.74 174.43 3iai s THR 108 N -2.74 1.12 -0.19 1.30 -4.23 -1.17 -4.59 115.64 105.13 3iai s THR 108 Ca 0.59 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 3iai s THR 108 Cb -0.12 -1.67 0.04 0.00 1.34 0.00 0.00 72.50 72.09 3iai s THR 108 CO 0.40 -0.66 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.03 3iai s VAL 109 N -2.94 1.61 -1.45 2.29 1.01 -0.55 0.26 120.40 120.64 3iai s VAL 109 Ca 0.12 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3iai s VAL 109 Cb 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.74 3iai s VAL 109 CO 0.01 0.20 0.92 1.21 0.00 0.00 0.00 175.10 177.44 3iai n GLU 110 N 4.70 -6.23 0.00 2.72 4.07 0.85 -0.99 120.64 125.76 3iai n GLU 110 Ca -0.15 0.78 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 3iai n GLU 110 Cb 0.47 -5.72 0.00 0.00 -0.06 0.00 0.00 31.44 26.13 3iai n GLU 110 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3iai n GLY 111 N -1.74 2.76 3.70 8.31 0.00 -1.26 -5.00 105.19 111.95 3iai n GLY 111 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3iai n GLY 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iai s HIS 112 N -2.66 3.57 -0.18 1.61 5.04 -0.16 -5.02 115.29 117.49 3iai s HIS 112 Ca 0.00 1.55 -0.08 0.00 -1.54 0.00 0.00 55.06 54.99 3iai s HIS 112 Cb 0.00 -3.08 -0.04 0.00 0.04 0.00 0.00 32.58 29.49 3iai s HIS 112 CO 0.00 -0.09 0.09 0.50 -2.34 0.00 0.00 174.74 172.90 3iai s ARG 113 N 1.43 3.96 0.48 2.88 3.52 -1.26 -1.48 118.95 128.49 3iai s ARG 113 Ca 0.47 -0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 55.75 3iai s ARG 113 Cb -0.19 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 3iai s ARG 113 CO 0.21 0.35 0.76 -0.06 -0.81 0.00 0.00 175.30 175.76 3iai s PHE 114 N 0.17 3.43 0.19 5.12 0.40 -1.26 -4.82 117.98 121.21 3iai s PHE 114 Ca 0.06 0.62 -0.17 0.00 -0.60 0.00 0.00 56.93 56.84 3iai s PHE 114 Cb -0.12 -2.35 0.16 0.00 0.51 0.00 0.00 43.02 41.23 3iai s PHE 114 CO -0.00 -0.36 1.62 -1.35 0.70 0.00 0.00 175.22 175.83 3iai h PRO 115 N 0.23 -0.08 -3.83 0.24 0.11 -1.92 -1.23 132.00 125.52 3iai h PRO 115 Ca -0.47 0.01 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 3iai h PRO 115 Cb 1.23 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 3iai h PRO 115 CO 0.61 -0.05 -0.10 0.00 -0.21 0.00 0.00 178.00 178.24 3iai s ALA 116 N -6.15 0.29 -0.11 -0.75 0.00 -1.05 -0.61 121.76 113.37 3iai s ALA 116 Ca -0.14 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 50.47 3iai s ALA 116 Cb 0.17 1.06 0.03 0.00 0.00 0.00 0.00 23.12 24.37 3iai s ALA 116 CO 0.71 -0.84 0.30 -2.00 0.00 0.00 0.00 175.76 173.94 3iai s GLU 117 N -3.15 0.35 -0.06 0.00 2.12 -0.19 -0.48 118.70 117.29 3iai s GLU 117 Ca 0.26 0.43 0.00 0.00 0.36 0.00 0.00 54.97 56.02 3iai s GLU 117 Cb -0.01 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.51 3iai s GLU 117 CO 0.16 -0.04 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.30 3iai s ILE 118 N 0.18 3.96 -0.09 -3.70 2.07 -0.26 -1.33 121.20 122.03 3iai s ILE 118 Ca -0.00 -0.45 0.03 0.00 -1.41 0.00 0.00 60.65 58.81 3iai s ILE 118 Cb -0.02 -2.66 0.01 0.00 0.13 0.00 0.00 42.46 39.91 3iai s ILE 118 CO 0.00 0.55 -0.17 -1.00 -1.91 0.00 0.00 174.94 172.41 3iai s HIS 119 N -0.89 1.98 -0.31 3.50 3.76 -0.18 -2.13 115.29 121.02 3iai s HIS 119 Ca 0.14 -0.82 -0.01 0.00 -0.15 0.00 0.00 55.06 54.22 3iai s HIS 119 Cb -0.11 -1.39 0.06 0.00 1.11 0.00 0.00 32.58 32.25 3iai s HIS 119 CO 0.04 -0.38 0.02 0.08 -0.85 0.00 0.00 174.74 173.64 3iai s VAL 120 N 0.63 2.92 -0.08 -0.90 1.01 -0.28 -1.25 120.40 122.44 3iai s VAL 120 Ca -0.14 -1.54 -0.25 0.00 0.00 0.00 0.00 61.98 60.05 3iai s VAL 120 Cb -0.16 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 3iai s VAL 120 CO 0.04 -0.20 0.79 -0.69 0.00 0.00 0.00 175.10 175.04 3iai s VAL 121 N 1.21 4.97 0.16 2.92 1.01 0.07 -1.33 120.40 129.40 3iai s VAL 121 Ca -0.03 1.60 0.11 0.00 0.00 0.00 0.00 61.98 63.67 3iai s VAL 121 Cb -0.20 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 3iai s VAL 121 CO -0.02 0.17 -0.26 -1.00 0.00 0.00 0.00 175.10 173.99 3iai s HIS 122 N 1.23 2.29 -0.14 5.22 3.76 0.12 -0.40 115.29 127.38 3iai s HIS 122 Ca 0.40 -0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 54.94 3iai s HIS 122 Cb -0.18 -1.20 -0.01 0.00 1.11 0.00 0.00 32.58 32.30 3iai s HIS 122 CO 0.18 0.40 -0.13 -1.17 -0.85 0.00 0.00 174.74 173.17 3iai s LEU 123 N -2.31 2.65 0.34 0.89 2.96 0.14 -1.85 118.68 121.49 3iai s LEU 123 Ca 0.17 -0.37 -0.29 0.00 -0.22 0.00 0.00 54.13 53.42 3iai s LEU 123 Cb -0.09 -1.60 -0.12 0.00 0.50 0.00 0.00 46.19 44.88 3iai s LEU 123 CO 0.08 0.14 1.40 -0.24 -1.32 0.00 0.00 176.35 176.40 3iai n SER 124 N 3.72 3.21 0.01 3.68 2.88 -0.31 -1.59 113.62 125.23 3iai n SER 124 Ca -0.18 1.20 0.05 0.00 -1.33 0.00 0.00 58.87 58.61 3iai n SER 124 Cb 0.52 -1.53 0.22 0.00 -0.75 0.00 0.00 64.21 62.67 3iai n SER 124 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3iai n THR 125 N 0.76 1.34 1.15 2.46 -2.24 -0.85 -1.69 114.28 115.21 3iai n THR 125 Ca 0.05 0.35 0.14 0.00 -2.27 0.00 0.00 64.05 62.32 3iai n THR 125 Cb 0.36 -1.20 0.62 0.00 -2.10 0.00 0.00 70.33 68.01 3iai n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iai n ALA 127 N -1.52 2.54 -3.19 6.98 0.00 -1.26 -4.73 120.51 119.33 3iai n ALA 127 Ca 0.02 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 3iai n ALA 127 Cb 0.11 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 17.97 3iai n ALA 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3iai s PHE 128 N -2.84 2.40 0.16 0.00 0.40 -0.68 -5.02 117.98 112.40 3iai s PHE 128 Ca 0.19 -0.94 0.02 0.00 -0.60 0.00 0.00 56.93 55.60 3iai s PHE 128 Cb 0.19 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 3iai s PHE 128 CO 0.52 -0.38 1.38 0.00 0.70 0.00 0.00 175.22 177.44 3iai h ALA 129 N 6.66 0.52 -2.89 5.36 0.00 -1.84 -3.45 119.26 123.62 3iai h ALA 129 Ca -0.22 -0.72 -0.33 0.00 0.00 0.00 0.00 54.91 53.64 3iai h ALA 129 Cb 1.23 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.75 3iai h ALA 129 CO 0.47 0.92 -0.74 1.03 0.00 0.00 0.00 179.25 180.93 3iai s ARG 130 N -3.21 0.80 0.17 0.00 0.52 -1.26 -5.06 118.95 110.92 3iai s ARG 130 Ca -0.03 -1.08 -0.14 0.00 -0.52 0.00 0.00 55.73 53.97 3iai s ARG 130 Cb 0.10 -0.55 0.09 0.00 0.52 0.00 0.00 34.95 35.12 3iai s ARG 130 CO 0.83 0.09 1.80 0.28 0.02 0.00 0.00 175.30 178.32 3iai h VAL 131 N 3.79 1.03 -0.01 3.52 2.07 -1.99 -2.15 116.25 122.51 3iai h VAL 131 Ca -0.38 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3iai h VAL 131 Cb 1.19 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3iai h VAL 131 CO 0.49 0.10 0.15 -2.24 0.02 0.00 0.00 177.57 176.09 3iai h ASP 132 N 0.55 0.00 0.88 0.57 2.03 -1.97 0.23 116.42 118.72 3iai h ASP 132 Ca 0.20 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.35 3iai h ASP 132 Cb 0.04 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.52 3iai h ASP 132 CO -0.10 0.00 -1.20 -0.33 -1.03 0.00 0.00 179.24 176.57 3iai h GLU 133 N 0.00 0.00 0.00 4.15 5.08 -1.82 -3.34 114.58 118.65 3iai h GLU 133 Ca 0.01 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 3iai h GLU 133 Cb 0.30 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 3iai h GLU 133 CO -0.00 0.32 -1.01 0.00 -1.00 0.00 0.00 179.01 177.33 3iai h ALA 134 N 1.46 0.60 -2.13 3.43 0.00 -0.43 -3.44 119.26 118.75 3iai h ALA 134 Ca -0.12 -0.78 -0.61 0.00 0.00 0.00 0.00 54.91 53.40 3iai h ALA 134 Cb 1.52 0.06 0.05 0.00 0.00 0.00 0.00 17.79 19.42 3iai h ALA 134 CO 0.05 0.96 0.78 1.28 0.00 0.00 0.00 179.25 182.32 3iai n LEU 135 N -3.14 2.87 0.00 0.00 4.77 -0.43 -1.36 117.00 119.71 3iai n LEU 135 Ca -0.04 1.08 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 3iai n LEU 135 Cb 0.85 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 3iai n LEU 135 CO 0.43 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 3iai n GLY 136 N 3.39 2.68 3.82 -0.72 0.00 -1.21 -5.00 105.19 108.16 3iai n GLY 136 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3iai n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iai s ARG 137 N -0.00 4.10 0.01 1.61 3.00 -0.46 -4.66 118.95 122.55 3iai s ARG 137 Ca 0.00 0.63 -0.32 0.00 0.00 0.00 0.00 55.73 56.04 3iai s ARG 137 Cb 0.00 -3.17 -0.10 0.00 0.00 0.00 0.00 34.95 31.68 3iai s ARG 137 CO 0.00 0.61 1.92 -0.35 0.00 0.00 0.00 175.30 177.48 3iai n PRO 138 N 1.53 2.63 -0.94 3.54 -0.04 -1.26 -1.67 135.00 138.78 3iai n PRO 138 Ca -0.10 0.96 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 3iai n PRO 138 Cb 0.51 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 3iai n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3iai n GLY 139 N 4.44 0.32 0.34 0.55 0.00 0.26 -4.87 105.19 106.25 3iai n GLY 139 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 3iai n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3iai h GLY 140 N 0.00 1.16 -4.37 -0.02 0.00 -1.45 -3.42 103.07 94.97 3iai h GLY 140 Ca 0.00 -0.52 -0.68 0.00 0.00 0.00 0.00 47.33 46.13 3iai h GLY 140 CO 0.00 0.50 -0.88 1.08 0.00 0.00 0.00 176.54 177.24 3iai s LEU 141 N -9.77 2.15 -0.03 3.11 1.43 -1.26 -1.17 118.68 113.14 3iai s LEU 141 Ca -0.11 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 3iai s LEU 141 Cb 0.17 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 45.15 3iai s LEU 141 CO 0.81 0.25 -0.05 0.00 0.23 0.00 0.00 176.35 177.59 3iai s ALA 142 N -0.78 0.65 -0.07 4.21 0.00 -0.77 -1.59 121.76 123.41 3iai s ALA 142 Ca 0.11 -0.13 0.05 0.00 0.00 0.00 0.00 51.96 51.99 3iai s ALA 142 Cb -0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 3iai s ALA 142 CO 0.02 0.05 -0.24 0.08 0.00 0.00 0.00 175.76 175.66 3iai s VAL 143 N 0.56 2.02 -0.19 0.00 1.01 -0.63 0.15 120.40 123.31 3iai s VAL 143 Ca -0.07 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 60.77 3iai s VAL 143 Cb -0.11 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3iai s VAL 143 CO 0.00 0.56 0.15 -0.76 0.00 0.00 0.00 175.10 175.05 3iai s LEU 144 N 0.03 4.22 -0.03 3.92 1.43 -0.44 -1.99 118.68 125.81 3iai s LEU 144 Ca -0.09 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 3iai s LEU 144 Cb -0.15 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.94 3iai s LEU 144 CO 0.05 0.17 -0.17 0.00 0.23 0.00 0.00 176.35 176.64 3iai s ALA 145 N 0.36 1.47 0.01 4.21 0.00 0.19 -1.13 121.76 126.88 3iai s ALA 145 Ca 0.09 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.38 3iai s ALA 145 Cb -0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 3iai s ALA 145 CO -0.01 0.30 -0.07 0.00 0.00 0.00 0.00 175.76 175.97 3iai s ALA 146 N -0.10 0.59 0.19 0.00 0.00 -0.91 -1.16 121.76 120.38 3iai s ALA 146 Ca -0.00 -0.44 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 3iai s ALA 146 Cb -0.10 -0.09 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 3iai s ALA 146 CO 0.01 0.10 0.70 -0.06 0.00 0.00 0.00 175.76 176.51 3iai s PHE 147 N -0.51 3.69 -0.23 0.00 0.40 -1.26 -1.10 117.98 118.97 3iai s PHE 147 Ca -0.01 1.37 -0.05 0.00 -0.60 0.00 0.00 56.93 57.64 3iai s PHE 147 Cb -0.05 -2.60 -0.02 0.00 0.51 0.00 0.00 43.02 40.86 3iai s PHE 147 CO 0.00 0.39 0.01 -0.51 0.70 0.00 0.00 175.22 175.81 3iai s LEU 148 N -1.79 3.18 0.32 -0.37 1.43 0.37 -2.01 118.68 119.80 3iai s LEU 148 Ca 0.40 -0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 3iai s LEU 148 Cb -0.18 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3iai s LEU 148 CO 0.21 -0.02 0.12 -1.61 0.23 0.00 0.00 176.35 175.29 3iai s GLU 149 N 1.47 2.41 0.19 1.70 2.02 0.19 -2.54 118.70 124.15 3iai s GLU 149 Ca 0.05 -1.48 -0.30 0.00 0.02 0.00 0.00 54.97 53.26 3iai s GLU 149 Cb -0.15 -2.21 -0.08 0.00 0.10 0.00 0.00 34.13 31.79 3iai s GLU 149 CO 0.00 0.18 0.94 -2.00 0.02 0.00 0.00 175.26 174.40 3iai s GLU 150 N -3.82 4.80 0.25 1.61 -6.30 -1.26 -0.66 118.70 113.32 3iai s GLU 150 Ca 0.36 1.47 -0.05 0.00 -2.50 0.00 0.00 54.97 54.25 3iai s GLU 150 Cb -0.04 -3.31 -0.02 0.00 0.00 0.00 0.00 34.13 30.76 3iai s GLU 150 CO 0.22 0.42 0.32 0.20 0.02 0.00 0.00 175.26 176.44 3iai s GLY 151 N -0.79 1.15 0.29 -1.50 0.00 0.12 -4.79 107.32 101.80 3iai s GLY 151 Ca 0.43 -1.38 0.14 0.00 0.00 0.00 0.00 44.72 43.91 3iai s GLY 151 CO 0.31 -1.05 1.56 -0.56 0.00 0.00 0.00 173.10 173.35 3iai h PRO 151 N 2.38 0.00 -5.89 2.90 0.13 -1.97 -3.35 132.00 126.20 3iai h PRO 151 Ca -0.30 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.20 3iai h PRO 151 Cb 1.25 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 3iai h PRO 151 CO 0.43 0.56 -0.45 -1.21 -0.23 0.00 0.00 178.00 177.10 3iai s GLU 152 N -3.27 3.49 0.17 0.86 2.02 -1.26 -4.92 118.70 115.80 3iai s GLU 152 Ca 0.01 -0.26 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 3iai s GLU 152 Cb 0.10 -3.06 -0.08 0.00 0.10 0.00 0.00 34.13 31.20 3iai s GLU 152 CO 0.74 0.63 1.14 -2.00 0.02 0.00 0.00 175.26 175.79 3iai s GLU 153 N -2.08 4.55 -0.35 1.61 2.12 -1.26 -3.25 118.70 120.04 3iai s GLU 153 Ca 0.30 1.77 -0.23 0.00 0.36 0.00 0.00 54.97 57.17 3iai s GLU 153 Cb -0.13 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 31.00 3iai s GLU 153 CO 0.20 0.00 0.77 1.21 -0.54 0.00 0.00 175.26 176.91 3iai s ASN 154 N 0.04 6.57 0.20 -1.70 3.84 -1.26 -4.94 114.94 117.69 3iai s ASN 154 Ca 0.51 0.43 -0.10 0.00 0.21 0.00 0.00 52.86 53.91 3iai s ASN 154 Cb -0.30 -2.39 0.13 0.00 -0.55 0.00 0.00 41.25 38.14 3iai s ASN 154 CO 0.35 -0.69 1.79 0.28 -2.79 0.00 0.00 177.10 176.05 3iai h SER 155 N 8.38 0.95 0.01 -4.21 0.02 -1.93 -2.18 113.55 114.58 3iai h SER 155 Ca -0.25 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3iai h SER 155 Cb 1.10 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3iai h SER 155 CO 0.90 0.81 -0.00 0.00 -1.14 0.00 0.00 176.83 177.39 3iai h ALA 156 N 1.18 -0.01 0.00 3.77 0.00 -1.92 -2.75 119.26 119.53 3iai h ALA 156 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iai h ALA 156 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3iai h ALA 156 CO -0.03 -0.49 0.00 1.88 0.00 0.00 0.00 179.25 180.61 3iai h TYR 157 N -0.04 0.00 -0.25 0.00 -1.99 -1.89 -2.90 116.97 109.89 3iai h TYR 157 Ca -0.00 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.72 3iai h TYR 157 Cb 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 3iai h TYR 157 CO -0.07 0.00 0.14 1.49 -0.00 0.00 0.00 178.16 179.72 3iai h GLU 158 N 0.00 0.34 -0.09 4.88 4.22 -1.07 0.28 114.58 123.15 3iai h GLU 158 Ca 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 3iai h GLU 158 Cb 0.49 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3iai h GLU 158 CO 0.00 0.26 -0.10 1.96 -2.18 0.00 0.00 179.01 178.94 3iai h GLN 159 N 0.35 0.13 0.01 1.92 4.20 -1.57 -1.52 115.11 118.62 3iai h GLN 159 Ca 0.09 -0.02 -0.28 0.00 0.06 0.00 0.00 58.65 58.50 3iai h GLN 159 Cb 0.01 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 3iai h GLN 159 CO -0.02 0.24 -1.51 1.28 -0.67 0.00 0.00 178.83 178.16 3iai n LEU 160 N -4.35 1.94 -0.06 1.46 4.77 -0.54 -4.28 117.00 115.94 3iai n LEU 160 Ca -0.01 0.39 0.02 0.00 -0.03 0.00 0.00 56.01 56.38 3iai n LEU 160 Cb 0.22 -0.96 0.35 0.00 -2.33 0.00 0.00 43.42 40.70 3iai n LEU 160 CO 0.37 0.37 1.15 -0.07 -1.33 0.00 0.00 177.39 177.87 3iai h LEU 161 N -0.91 0.59 -0.02 2.23 3.38 -1.01 -1.90 115.31 117.67 3iai h LEU 161 Ca -0.41 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3iai h LEU 161 Cb 1.41 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3iai h LEU 161 CO -0.22 0.46 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 3iai n SER 162 N -4.43 0.02 -0.30 -0.43 3.41 -0.58 -2.63 113.62 108.69 3iai n SER 162 Ca 0.04 0.50 0.09 0.00 -0.26 0.00 0.00 58.87 59.25 3iai n SER 162 Cb 0.08 -0.51 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 3iai n SER 162 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iai n ARG 163 N -1.53 1.28 -0.02 4.33 5.12 -0.72 -4.55 116.66 120.57 3iai n ARG 163 Ca 0.04 -0.63 0.02 0.00 -1.93 0.00 0.00 57.85 55.35 3iai n ARG 163 Cb 0.21 -1.38 0.36 0.00 -1.16 0.00 0.00 32.46 30.49 3iai n ARG 163 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3iai h LEU 164 N 1.49 0.52 -1.90 0.55 3.38 -1.45 -2.39 115.31 115.50 3iai h LEU 164 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3iai h LEU 164 Cb 0.59 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3iai h LEU 164 CO 0.00 0.46 -0.11 -0.08 0.09 0.00 0.00 178.44 178.80 3iai h GLU 165 N 0.58 0.00 0.00 1.13 4.22 -1.80 -1.36 114.58 117.35 3iai h GLU 165 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.59 3iai h GLU 165 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3iai h GLU 165 CO -0.02 0.11 0.00 0.93 -2.18 0.00 0.00 179.01 177.85 3iai h GLU 166 N 0.00 0.00 -0.41 1.92 5.08 -1.74 -3.24 114.58 116.18 3iai h GLU 166 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3iai h GLU 166 Cb 0.21 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.12 3iai h GLU 166 CO 0.01 0.00 -0.89 0.44 -1.00 0.00 0.00 179.01 177.57 3iai n ILE 167 N -2.65 1.71 -0.27 3.13 -5.35 -0.55 -4.79 119.36 110.59 3iai n ILE 167 Ca 0.02 -3.17 0.02 0.00 -0.27 0.00 0.00 62.75 59.35 3iai n ILE 167 Cb 0.33 0.10 0.15 0.00 -1.74 0.00 0.00 39.64 38.48 3iai n ILE 167 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iai h ALA 168 N 1.94 1.07 -2.66 -1.28 0.00 -1.49 -3.43 119.26 113.41 3iai h ALA 168 Ca 0.06 0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.52 3iai h ALA 168 Cb 1.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 3iai h ALA 168 CO 0.35 0.02 0.33 -1.21 0.00 0.00 0.00 179.25 178.74 3iai s GLU 169 N -6.05 4.75 0.28 0.00 0.41 -1.26 -0.25 118.70 116.59 3iai s GLU 169 Ca -0.12 1.40 -0.30 0.00 -0.41 0.00 0.00 54.97 55.54 3iai s GLU 169 Cb 0.19 -3.14 -0.13 0.00 -1.78 0.00 0.00 34.13 29.27 3iai s GLU 169 CO 0.77 0.46 1.44 -1.91 -0.49 0.00 0.00 175.26 175.53 3iai n GLU 170 N 1.24 2.27 0.00 1.61 2.13 -1.23 -1.76 120.64 124.90 3iai n GLU 170 Ca -0.01 0.80 0.00 0.00 0.66 0.00 0.00 57.16 58.61 3iai n GLU 170 Cb 0.48 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.71 3iai n GLU 170 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iai n GLY 171 N 1.78 1.79 3.85 8.31 0.00 0.57 -4.97 105.19 116.52 3iai n GLY 171 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3iai n GLY 171 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iai s SER 172 N -1.91 6.63 0.14 1.61 1.04 -0.72 -4.89 113.70 115.61 3iai s SER 172 Ca 0.00 1.40 -0.11 0.00 0.48 0.00 0.00 55.95 57.71 3iai s SER 172 Cb 0.00 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 63.69 3iai s SER 172 CO 0.00 -0.46 0.31 -1.83 0.98 0.00 0.00 173.24 172.24 3iai s GLU 173 N -3.80 1.09 0.09 4.02 -1.05 -1.26 -1.41 118.70 116.38 3iai s GLU 173 Ca 0.56 -0.98 -0.19 0.00 -0.15 0.00 0.00 54.97 54.21 3iai s GLU 173 Cb -0.10 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.04 3iai s GLU 173 CO 0.28 -0.40 0.45 -0.08 0.95 0.00 0.00 175.26 176.46 3iai s THR 174 N -3.89 0.05 -0.09 1.83 -1.32 -0.33 -4.93 115.64 106.95 3iai s THR 174 Ca 0.10 -0.41 -0.15 0.00 -1.21 0.00 0.00 61.69 60.01 3iai s THR 174 Cb 0.03 -1.06 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 3iai s THR 174 CO -0.06 -0.23 0.38 -1.10 -2.21 0.00 0.00 174.62 171.41 3iai s GLN 175 N -3.20 4.14 0.16 7.08 -1.52 -1.26 -0.83 119.66 124.22 3iai s GLN 175 Ca -0.01 0.30 0.09 0.00 -1.95 0.00 0.00 55.36 53.80 3iai s GLN 175 Cb 0.00 -3.35 -0.04 0.00 -0.22 0.00 0.00 33.01 29.40 3iai s GLN 175 CO -0.08 0.39 -0.21 0.14 -0.25 0.00 0.00 175.29 175.28 3iai s VAL 176 N -0.06 1.97 0.72 1.09 -7.23 0.55 -4.91 120.40 112.53 3iai s VAL 176 Ca 0.22 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.33 3iai s VAL 176 Cb -0.15 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 34.92 3iai s VAL 176 CO 0.09 -0.21 1.15 -2.65 -0.31 0.00 0.00 175.10 173.17 3iai n PRO 177 N 0.40 0.63 -1.71 4.82 -0.02 -1.26 -0.44 135.00 137.42 3iai n PRO 177 Ca -0.14 0.28 -0.36 0.00 -2.02 0.00 0.00 63.50 61.26 3iai n PRO 177 Cb 0.56 -2.39 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3iai n PRO 177 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3iai s GLY 178 N -1.68 2.70 0.17 -1.23 0.00 -0.01 -4.63 107.32 102.62 3iai s GLY 178 Ca 0.77 1.09 -0.08 0.00 0.00 0.00 0.00 44.72 46.50 3iai s GLY 178 CO 0.47 1.50 0.26 0.48 0.00 0.00 0.00 173.10 175.81 3iai s LEU 179 N -4.53 1.04 -0.69 0.66 2.34 -1.26 -4.46 118.68 111.79 3iai s LEU 179 Ca 0.79 -0.95 -0.26 0.00 0.06 0.00 0.00 54.13 53.77 3iai s LEU 179 Cb -0.34 1.06 0.04 0.00 -0.56 0.00 0.00 46.19 46.38 3iai s LEU 179 CO 0.40 -0.88 1.20 -0.62 -1.06 0.00 0.00 176.35 175.39 3iai s ASP 180 N -2.99 6.22 0.29 1.48 -1.08 -1.26 -2.96 116.67 116.37 3iai s ASP 180 Ca 0.20 -0.42 -0.02 0.00 -0.52 0.00 0.00 52.55 51.79 3iai s ASP 180 Cb 0.04 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.38 3iai s ASP 180 CO 0.02 -1.69 1.95 0.40 0.52 0.00 0.00 175.17 176.37 3iai h ILE 181 N 6.05 1.22 0.00 4.11 1.08 -1.45 -2.29 117.51 126.22 3iai h ILE 181 Ca -0.27 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3iai h ILE 181 Cb 1.06 0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3iai h ILE 181 CO 1.24 0.22 -0.02 0.77 -0.69 0.00 0.00 178.15 179.67 3iai h SER 182 N 1.12 0.00 0.65 1.72 4.64 -1.90 -2.06 113.55 117.73 3iai h SER 182 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3iai h SER 182 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3iai h SER 182 CO -0.06 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.92 3iai n ALA 183 N -2.12 1.65 1.33 5.18 0.00 -0.86 -1.91 120.51 123.79 3iai n ALA 183 Ca -0.01 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.61 3iai n ALA 183 Cb 0.20 -1.34 0.58 0.00 0.00 0.00 0.00 19.45 18.89 3iai n ALA 183 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iai n LEU 184 N -2.03 0.44 -4.86 0.00 4.77 -0.77 -4.81 117.00 109.73 3iai n LEU 184 Ca 0.02 0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.84 3iai n LEU 184 Cb 0.21 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3iai n LEU 184 CO 0.18 0.08 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.46 3iai s LEU 185 N -2.57 3.77 1.16 2.23 1.43 -0.80 -4.96 118.68 118.94 3iai s LEU 185 Ca 0.26 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 3iai s LEU 185 Cb 0.20 -2.37 0.25 0.00 0.03 0.00 0.00 46.19 44.30 3iai s LEU 185 CO 0.50 -0.22 0.86 -2.65 0.23 0.00 0.00 176.35 175.07 3iai n PRO 186 N -1.33 -2.25 0.09 1.29 -0.02 -1.26 -4.97 135.00 126.54 3iai n PRO 186 Ca -0.05 -0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 60.69 3iai n PRO 186 Cb 0.59 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 3iai n PRO 186 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3iai h SER 187 N -2.56 0.27 -3.64 2.55 4.64 -1.90 -3.44 113.55 109.47 3iai h SER 187 Ca -0.60 -0.27 -0.68 0.00 -0.47 0.00 0.00 61.79 59.77 3iai h SER 187 Cb 1.33 -0.09 -0.23 0.00 -0.31 0.00 0.00 62.40 63.10 3iai h SER 187 CO 0.47 1.17 -0.56 -0.62 -0.87 0.00 0.00 176.83 176.42 3iai s ASP 188 N -6.97 5.53 0.00 4.97 -1.08 -1.26 -4.95 116.67 112.91 3iai s ASP 188 Ca -0.02 -0.62 0.18 0.00 -0.52 0.00 0.00 52.55 51.56 3iai s ASP 188 Cb 0.09 -1.99 0.64 0.00 -1.46 0.00 0.00 42.92 40.20 3iai s ASP 188 CO 0.85 -0.23 1.48 0.49 0.52 0.00 0.00 175.17 178.28 3iai n PHE 189 N 4.97 0.27 0.79 -5.34 0.99 -1.26 -3.88 117.46 114.00 3iai n PHE 189 Ca -0.14 -0.14 0.09 0.00 -0.00 0.00 0.00 57.45 57.27 3iai n PHE 189 Cb 0.48 0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 38.85 3iai n PHE 189 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 3iai n SER 189 N 0.35 0.85 -4.21 4.37 3.41 -1.26 -1.10 113.62 116.03 3iai n SER 189 Ca 0.15 -0.85 -0.37 0.00 -0.26 0.00 0.00 58.87 57.54 3iai n SER 189 Cb 0.32 1.09 -0.12 0.00 -0.26 0.00 0.00 64.21 65.23 3iai n SER 189 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iai s ARG 190 N -2.82 2.43 0.22 4.33 0.52 -1.25 -4.63 118.95 117.76 3iai s ARG 190 Ca 0.06 -1.40 -0.21 0.00 -0.52 0.00 0.00 55.73 53.65 3iai s ARG 190 Cb 0.14 -3.48 0.04 0.00 0.52 0.00 0.00 34.95 32.17 3iai s ARG 190 CO 0.77 -0.80 0.65 1.52 0.02 0.00 0.00 175.30 177.46 3iai s TYR 191 N 1.31 -0.32 0.14 -0.53 -0.85 -1.26 -0.90 117.35 114.94 3iai s TYR 191 Ca 0.01 -0.02 0.05 0.00 -0.52 0.00 0.00 57.07 56.59 3iai s TYR 191 Cb -0.21 0.61 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3iai s TYR 191 CO 0.00 -1.05 0.05 -0.06 -1.52 0.00 0.00 175.55 172.98 3iai s PHE 192 N -3.85 3.02 -0.11 -3.49 0.40 -0.07 -1.07 117.98 112.82 3iai s PHE 192 Ca 0.07 -0.05 -0.10 0.00 -0.60 0.00 0.00 56.93 56.26 3iai s PHE 192 Cb -0.03 -1.49 0.03 0.00 0.51 0.00 0.00 43.02 42.03 3iai s PHE 192 CO -0.02 0.51 0.28 -1.14 0.70 0.00 0.00 175.22 175.55 3iai s GLN 193 N -2.77 0.33 0.25 0.44 0.74 0.25 -0.81 119.66 118.08 3iai s GLN 193 Ca 0.28 0.40 -0.22 0.00 0.05 0.00 0.00 55.36 55.88 3iai s GLN 193 Cb -0.10 0.15 0.03 0.00 1.10 0.00 0.00 33.01 34.19 3iai s GLN 193 CO 0.20 -0.05 0.72 1.52 -0.55 0.00 0.00 175.29 177.14 3iai s TYR 194 N 0.20 -0.24 -0.14 1.67 -0.85 -0.71 -0.97 117.35 116.32 3iai s TYR 194 Ca -0.00 -0.16 -0.05 0.00 -0.52 0.00 0.00 57.07 56.34 3iai s TYR 194 Cb -0.02 0.68 -0.04 0.00 0.38 0.00 0.00 41.96 42.96 3iai s TYR 194 CO -0.00 -1.13 0.03 -2.00 -1.52 0.00 0.00 175.55 170.93 3iai s GLU 195 N -3.82 3.54 0.00 -3.49 2.12 -1.26 -0.59 118.70 115.19 3iai s GLU 195 Ca 0.09 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.04 3iai s GLU 195 Cb -0.05 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.33 3iai s GLU 195 CO 0.03 0.46 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 3iai n GLY 196 N 2.93 4.17 3.32 -1.50 0.00 0.11 -4.92 105.19 109.30 3iai n GLY 196 Ca -0.18 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 3iai n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iai s SER 197 N 1.58 1.77 0.50 1.61 1.04 -1.25 -1.21 113.70 117.74 3iai s SER 197 Ca 0.00 -1.72 -0.20 0.00 0.48 0.00 0.00 55.95 54.51 3iai s SER 197 Cb 0.00 0.54 -0.07 0.00 0.10 0.00 0.00 66.02 66.58 3iai s SER 197 CO 0.00 -1.03 1.08 -0.76 0.98 0.00 0.00 173.24 173.52 3iai s LEU 198 N -3.40 3.84 0.00 2.42 1.43 -0.76 -4.31 118.68 117.90 3iai s LEU 198 Ca 0.38 2.06 0.21 0.00 -1.03 0.00 0.00 54.13 55.75 3iai s LEU 198 Cb 0.03 -4.52 0.80 0.00 0.03 0.00 0.00 46.19 42.53 3iai s LEU 198 CO 0.24 -0.94 1.58 0.35 0.23 0.00 0.00 176.35 177.80 3iai n THR 199 N -1.00 0.18 -4.06 5.49 -2.24 -1.26 -4.35 114.28 107.03 3iai n THR 199 Ca 0.10 -0.32 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 3iai n THR 199 Cb 0.51 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.98 3iai n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3iai s THR 200 N -1.82 0.29 0.44 4.28 -4.23 -1.26 -4.70 115.64 108.64 3iai s THR 200 Ca 0.33 -1.46 -0.23 0.00 -1.18 0.00 0.00 61.69 59.15 3iai s THR 200 Cb 0.17 -1.04 -0.11 0.00 1.34 0.00 0.00 72.50 72.86 3iai s THR 200 CO 0.27 -0.75 0.76 -2.65 -0.54 0.00 0.00 174.62 171.70 3iai n PRO 201 N 0.71 0.89 0.00 3.99 -0.02 -1.26 -0.63 135.00 138.68 3iai n PRO 201 Ca -0.18 0.32 0.09 0.00 -2.02 0.00 0.00 63.50 61.71 3iai n PRO 201 Cb 0.58 -1.77 0.51 0.00 -0.02 0.00 0.00 33.50 32.80 3iai n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3iai n PRO 202 N 0.26 0.64 -2.93 0.52 -0.04 -1.26 -4.98 135.00 127.20 3iai n PRO 202 Ca 0.11 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 3iai n PRO 202 Cb 0.40 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.45 3iai n PRO 202 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iai n ALA 204 N -3.13 2.02 -1.97 0.00 0.00 -1.26 -4.24 120.51 111.93 3iai n ALA 204 Ca -0.11 0.37 -0.27 0.00 0.00 0.00 0.00 53.44 53.43 3iai n ALA 204 Cb 0.61 -2.38 0.16 0.00 0.00 0.00 0.00 19.45 17.84 3iai n ALA 204 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3iai s GLN 205 N -1.18 0.93 0.00 0.00 -0.21 -1.26 -1.83 119.66 116.11 3iai s GLN 205 Ca 0.60 -0.92 0.00 0.00 0.02 0.00 0.00 55.36 55.07 3iai s GLN 205 Cb -0.53 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.40 3iai s GLN 205 CO 0.55 -2.08 0.00 0.41 -2.12 0.00 0.00 175.29 172.05 3iai n GLY 206 N -3.37 0.66 3.72 3.09 0.00 -0.35 -3.31 105.19 105.62 3iai n GLY 206 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3iai n GLY 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iai s VAL 207 N -2.06 5.01 -0.31 1.61 1.01 -0.44 -0.57 120.40 124.66 3iai s VAL 207 Ca 0.00 1.56 -0.20 0.00 0.00 0.00 0.00 61.98 63.34 3iai s VAL 207 Cb 0.00 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3iai s VAL 207 CO 0.00 0.23 0.61 -0.63 0.00 0.00 0.00 175.10 175.32 3iai s ILE 208 N 0.84 4.95 -0.19 2.22 1.01 -0.62 0.07 121.20 129.47 3iai s ILE 208 Ca 0.40 0.82 -0.10 0.00 0.00 0.00 0.00 60.65 61.77 3iai s ILE 208 Cb -0.18 -3.99 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 3iai s ILE 208 CO 0.20 -0.13 0.13 0.26 0.00 0.00 0.00 174.94 175.40 3iai s TRP 209 N 2.58 3.44 -0.19 3.97 0.52 0.24 -1.60 118.94 127.89 3iai s TRP 209 Ca 0.24 0.36 0.00 0.00 0.02 0.00 0.00 56.10 56.73 3iai s TRP 209 Cb -0.15 -2.13 0.04 0.00 -1.15 0.00 0.00 33.47 30.08 3iai s TRP 209 CO 0.12 0.35 -0.09 0.99 0.02 0.00 0.00 176.95 178.35 3iai s THR 210 N 0.16 1.50 -0.28 2.01 2.01 -0.84 -1.74 115.64 118.46 3iai s THR 210 Ca 0.09 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 3iai s THR 210 Cb -0.11 -1.62 0.01 0.00 0.01 0.00 0.00 72.50 70.80 3iai s THR 210 CO -0.01 0.13 0.03 -0.69 -0.69 0.00 0.00 174.62 173.40 3iai s VAL 211 N 1.46 3.63 0.39 3.82 1.01 0.01 -0.64 120.40 130.07 3iai s VAL 211 Ca -0.01 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 60.92 3iai s VAL 211 Cb -0.16 -2.86 -0.11 0.00 0.00 0.00 0.00 36.38 33.25 3iai s VAL 211 CO -0.08 0.13 1.42 0.49 0.00 0.00 0.00 175.10 177.07 3iai n PHE 212 N 4.81 2.74 0.08 5.22 3.01 -0.31 -0.89 117.46 132.12 3iai n PHE 212 Ca -0.15 0.47 -0.09 0.00 1.01 0.00 0.00 57.45 58.69 3iai n PHE 212 Cb 0.48 -2.49 -0.06 0.00 -0.01 0.00 0.00 39.48 37.40 3iai n PHE 212 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 3iai h ASN 213 N 2.69 0.19 -3.30 4.37 -0.00 -1.34 -3.45 115.58 114.74 3iai h ASN 213 Ca -0.50 -0.18 -0.53 0.00 -0.00 0.00 0.00 56.30 55.09 3iai h ASN 213 Cb 1.26 -0.06 -0.02 0.00 -0.00 0.00 0.00 38.32 39.50 3iai h ASN 213 CO 0.63 1.05 -0.15 -1.10 -0.00 0.00 0.00 177.43 177.86 3iai s GLN 214 N -2.96 3.70 0.51 6.67 -0.21 -1.26 -5.07 119.66 121.04 3iai s GLN 214 Ca -0.02 0.11 0.06 0.00 0.02 0.00 0.00 55.36 55.53 3iai s GLN 214 Cb 0.10 -2.67 0.01 0.00 1.00 0.00 0.00 33.01 31.45 3iai s GLN 214 CO 0.83 0.29 0.34 0.95 -2.12 0.00 0.00 175.29 175.58 3iai s THR 215 N -1.92 1.84 0.15 -0.19 -4.23 -1.26 -4.65 115.64 105.39 3iai s THR 215 Ca 0.45 -1.53 0.11 0.00 -1.18 0.00 0.00 61.69 59.54 3iai s THR 215 Cb -0.11 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 3iai s THR 215 CO 0.25 0.00 -0.25 0.68 -0.54 0.00 0.00 174.62 174.76 3iai s VAL 216 N -2.72 2.33 -0.03 2.29 -7.23 -0.85 -4.73 120.40 109.47 3iai s VAL 216 Ca 0.35 -1.84 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 3iai s VAL 216 Cb -0.01 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 3iai s VAL 216 CO 0.21 0.02 -0.08 -0.04 -0.31 0.00 0.00 175.10 174.90 3iai s MET 217 N -2.29 2.61 0.10 4.82 -1.94 -1.26 -0.64 119.30 120.71 3iai s MET 217 Ca 0.17 -0.66 0.06 0.00 -1.71 0.00 0.00 55.69 53.55 3iai s MET 217 Cb -0.09 -2.51 -0.03 0.00 2.01 0.00 0.00 34.83 34.20 3iai s MET 217 CO 0.08 0.63 -0.16 -0.51 -0.01 0.00 0.00 175.02 175.04 3iai s LEU 218 N -1.13 2.34 0.79 -0.03 1.02 0.17 -4.41 118.68 117.43 3iai s LEU 218 Ca 0.15 -0.72 -0.11 0.00 0.02 0.00 0.00 54.13 53.46 3iai s LEU 218 Cb -0.11 -0.63 0.07 0.00 0.02 0.00 0.00 46.19 45.53 3iai s LEU 218 CO 0.05 -0.07 1.09 -0.94 0.02 0.00 0.00 176.35 176.49 3iai s SER 219 N -2.12 4.51 0.27 2.29 1.04 -1.20 0.13 113.70 118.62 3iai s SER 219 Ca 0.05 1.42 -0.04 0.00 0.48 0.00 0.00 55.95 57.86 3iai s SER 219 Cb -0.08 -2.17 0.35 0.00 0.10 0.00 0.00 66.02 64.22 3iai s SER 219 CO 0.03 -1.97 1.93 0.00 0.98 0.00 0.00 173.24 174.22 3iai h ALA 220 N -1.09 1.35 -0.85 5.32 0.00 -1.92 -1.19 119.26 120.87 3iai h ALA 220 Ca -0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 3iai h ALA 220 Cb 1.26 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3iai h ALA 220 CO 0.58 0.59 0.45 -0.22 0.00 0.00 0.00 179.25 180.64 3iai h LYS 221 N 1.26 1.20 -0.45 0.00 3.64 -1.94 -1.01 116.57 119.27 3iai h LYS 221 Ca 0.36 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3iai h LYS 221 Cb -0.09 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 3iai h LYS 221 CO -0.09 0.89 -0.13 1.96 -2.27 0.00 0.00 179.45 179.82 3iai h GLN 222 N 1.20 0.88 -0.30 1.90 4.20 -1.67 -0.74 115.11 120.59 3iai h GLN 222 Ca 0.30 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 3iai h GLN 222 Cb 0.06 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3iai h GLN 222 CO -0.04 0.99 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.94 3iai h LEU 223 N 0.72 0.47 -0.39 1.46 3.38 -0.96 -1.00 115.31 118.98 3iai h LEU 223 Ca 0.11 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3iai h LEU 223 Cb 0.68 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3iai h LEU 223 CO 0.05 0.60 -0.42 -0.74 0.09 0.00 0.00 178.44 178.02 3iai h HIS 224 N 0.46 1.10 -0.75 1.13 2.76 -0.95 -2.39 115.15 116.51 3iai h HIS 224 Ca 0.09 -0.34 -0.02 0.00 -2.20 0.00 0.00 60.37 57.89 3iai h HIS 224 Cb 0.45 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 3iai h HIS 224 CO 0.01 1.17 0.38 1.15 -1.30 0.00 0.00 177.93 179.34 3iai h THR 225 N 0.74 1.24 -0.39 6.26 2.02 -0.67 -0.76 112.91 121.35 3iai h THR 225 Ca 0.05 -0.64 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 3iai h THR 225 Cb 1.01 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3iai h THR 225 CO 0.10 0.27 0.18 0.25 0.37 0.00 0.00 175.52 176.69 3iai h LEU 226 N 1.04 0.51 -0.42 2.58 5.85 -1.05 -3.07 115.31 120.75 3iai h LEU 226 Ca 0.26 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3iai h LEU 226 Cb 0.09 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.99 3iai h LEU 226 CO -0.04 0.51 -0.28 -1.54 -0.34 0.00 0.00 178.44 176.75 3iai n SER 227 N -4.69 0.94 -0.14 1.25 3.41 -0.91 -4.30 113.62 109.18 3iai n SER 227 Ca -0.00 -0.80 0.06 0.00 -0.26 0.00 0.00 58.87 57.87 3iai n SER 227 Cb 0.12 0.14 0.08 0.00 -0.26 0.00 0.00 64.21 64.30 3iai n SER 227 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iai n ASP 227 N -0.77 1.71 -0.06 4.04 2.03 -0.30 -4.71 116.55 118.49 3iai n ASP 227 Ca 0.11 -2.60 -0.08 0.00 0.52 0.00 0.00 54.79 52.75 3iai n ASP 227 Cb 0.34 -0.29 -0.06 0.00 -0.72 0.00 0.00 41.12 40.39 3iai n ASP 227 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3iai n THR 228 N -0.93 0.67 -3.34 5.18 -1.04 -1.16 -5.00 114.28 108.66 3iai n THR 228 Ca 0.10 -0.29 -0.32 0.00 -2.04 0.00 0.00 64.05 61.50 3iai n THR 228 Cb 0.58 -0.89 -0.06 0.00 -1.82 0.00 0.00 70.33 68.15 3iai n THR 228 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3iai s LEU 229 N -5.51 4.15 -0.03 -4.42 1.43 -1.26 -4.69 118.68 108.35 3iai s LEU 229 Ca -0.14 1.02 0.02 0.00 -1.03 0.00 0.00 54.13 54.00 3iai s LEU 229 Cb 0.04 -3.76 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 3iai s LEU 229 CO 0.29 -0.10 -0.05 0.26 0.23 0.00 0.00 176.35 176.99 3iai s TRP 230 N -1.84 2.96 0.00 0.29 0.52 0.66 -0.66 118.94 120.87 3iai s TRP 230 Ca 0.49 0.02 0.00 0.00 0.02 0.00 0.00 56.10 56.63 3iai s TRP 230 Cb -0.11 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.54 3iai s TRP 230 CO 0.20 0.38 0.00 0.41 0.02 0.00 0.00 176.95 177.96 3iai n GLY 231 N 1.84 2.92 3.76 0.98 0.00 0.11 -3.51 105.19 111.29 3iai n GLY 231 Ca -0.17 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.49 3iai n GLY 231 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3iai s PRO 232 N 3.00 3.55 7.40 1.61 0.02 -1.26 -4.49 135.00 144.83 3iai s PRO 232 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3iai s PRO 232 Cb 0.00 -2.56 0.00 0.00 0.02 0.00 0.00 34.50 31.96 3iai s PRO 232 CO 0.00 -0.93 0.00 0.41 -0.33 0.00 0.00 177.00 176.15 3iai n GLY 237 N 0.61 2.42 0.03 0.52 0.00 -1.26 -3.11 105.19 104.40 3iai n GLY 237 Ca 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3iai n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iai n ASP 238 N 7.45 1.78 -4.86 1.61 5.68 -1.26 -5.07 116.55 121.88 3iai n ASP 238 Ca 0.00 -1.74 -0.31 0.00 -0.50 0.00 0.00 54.79 52.24 3iai n ASP 238 Cb 0.00 -0.01 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 3iai n ASP 238 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3iai s SER 239 N -0.74 6.47 0.40 -1.12 1.04 -1.18 -4.90 113.70 113.67 3iai s SER 239 Ca 0.01 1.48 -0.24 0.00 0.48 0.00 0.00 55.95 57.67 3iai s SER 239 Cb 0.01 -2.48 -0.09 0.00 0.10 0.00 0.00 66.02 63.56 3iai s SER 239 CO 0.01 -0.68 1.10 -0.13 0.98 0.00 0.00 173.24 174.52 3iai s ARG 240 N -4.46 4.09 -0.88 4.02 0.52 -1.26 0.04 118.95 121.01 3iai s ARG 240 Ca 0.57 1.65 -0.24 0.00 -0.52 0.00 0.00 55.73 57.19 3iai s ARG 240 Cb -0.10 -2.58 0.06 0.00 0.52 0.00 0.00 34.95 32.84 3iai s ARG 240 CO 0.40 -0.24 1.30 -1.17 0.02 0.00 0.00 175.30 175.60 3iai s LEU 241 N -2.61 3.70 0.15 2.53 0.20 0.17 -4.33 118.68 118.48 3iai s LEU 241 Ca 0.58 -1.16 -0.05 0.00 0.69 0.00 0.00 54.13 54.19 3iai s LEU 241 Cb -0.26 -2.53 -0.02 0.00 -0.43 0.00 0.00 46.19 42.95 3iai s LEU 241 CO 0.32 -1.55 0.18 -1.10 -0.29 0.00 0.00 176.35 173.91 3iai s GLN 242 N 4.81 1.06 -1.64 1.98 -0.21 -1.26 -4.73 119.66 119.67 3iai s GLN 242 Ca 0.38 -1.30 -0.16 0.00 0.02 0.00 0.00 55.36 54.29 3iai s GLN 242 Cb -0.05 0.32 0.13 0.00 1.00 0.00 0.00 33.01 34.40 3iai s GLN 242 CO 0.00 -0.35 0.85 1.28 -2.12 0.00 0.00 175.29 174.95 3iai n LEU 243 N -0.16 -2.02 -3.71 2.90 4.77 -0.68 -4.82 117.00 113.26 3iai n LEU 243 Ca -0.06 -0.93 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 3iai n LEU 243 Cb 0.63 -2.26 -0.00 0.00 -2.33 0.00 0.00 43.42 39.46 3iai n LEU 243 CO 0.27 0.36 2.28 -0.46 -1.33 0.00 0.00 177.39 178.51 3iai n ASN 244 N -2.73 5.84 -3.97 -1.43 6.94 -0.97 -4.88 115.26 114.06 3iai n ASN 244 Ca 0.05 -3.04 -0.09 0.00 -0.02 0.00 0.00 54.58 51.49 3iai n ASN 244 Cb 0.51 -1.48 -0.10 0.00 -2.36 0.00 0.00 39.78 36.35 3iai n ASN 244 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3iai s PHE 245 N 0.59 0.29 0.09 -2.53 -0.12 -1.26 -4.33 117.98 110.70 3iai s PHE 245 Ca 0.46 -0.66 -0.05 0.00 -0.05 0.00 0.00 56.93 56.64 3iai s PHE 245 Cb 0.13 -0.20 -0.05 0.00 -0.63 0.00 0.00 43.02 42.26 3iai s PHE 245 CO -0.04 -0.36 0.32 0.50 -0.05 0.00 0.00 175.22 175.59 3iai s ARG 246 N -2.92 3.58 0.79 1.99 3.52 -1.26 -5.00 118.95 119.65 3iai s ARG 246 Ca -0.02 -0.14 -0.13 0.00 -0.13 0.00 0.00 55.73 55.31 3iai s ARG 246 Cb 0.01 -2.96 0.07 0.00 -1.56 0.00 0.00 34.95 30.51 3iai s ARG 246 CO -0.06 0.55 1.18 0.00 -0.81 0.00 0.00 175.30 176.16 3iai s ALA 247 N -1.51 1.95 0.36 6.12 0.00 -1.26 -4.76 121.76 122.65 3iai s ALA 247 Ca 0.36 0.73 -0.28 0.00 0.00 0.00 0.00 51.96 52.76 3iai s ALA 247 Cb -0.13 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 3iai s ALA 247 CO 0.23 -2.12 1.51 2.41 0.00 0.00 0.00 175.76 177.79 3iai n THR 248 N -3.24 1.79 -4.46 0.00 -1.04 -1.26 -4.46 114.28 101.61 3iai n THR 248 Ca 0.12 -0.45 -0.33 0.00 -2.04 0.00 0.00 64.05 61.36 3iai n THR 248 Cb 0.51 -1.98 -0.10 0.00 -1.82 0.00 0.00 70.33 66.94 3iai n THR 248 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3iai s GLN 249 N -1.76 2.64 0.42 -2.82 -1.52 0.77 -4.99 119.66 112.40 3iai s GLN 249 Ca 0.55 -0.66 -0.25 0.00 -1.95 0.00 0.00 55.36 53.05 3iai s GLN 249 Cb -0.48 -2.55 -0.08 0.00 -0.22 0.00 0.00 33.01 29.68 3iai s GLN 249 CO 0.61 0.62 1.24 -1.25 -0.25 0.00 0.00 175.29 176.25 3iai s PRO 250 N -1.31 3.91 0.37 2.91 0.04 -1.26 -4.40 135.00 135.25 3iai s PRO 250 Ca 0.16 1.98 0.07 0.00 0.04 0.00 0.00 61.00 63.26 3iai s PRO 250 Cb -0.11 -2.64 0.71 0.00 0.04 0.00 0.00 34.50 32.51 3iai s PRO 250 CO 0.07 -0.49 1.90 -0.07 0.04 0.00 0.00 177.00 178.45 3iai h LEU 251 N 2.48 0.33 -1.14 -3.56 3.38 -1.91 -3.43 115.31 111.46 3iai h LEU 251 Ca -0.49 -0.06 -0.49 0.00 0.09 0.00 0.00 57.88 56.92 3iai h LEU 251 Cb 1.25 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.84 3iai h LEU 251 CO 0.62 0.45 -0.79 0.59 0.09 0.00 0.00 178.44 179.40 3iai n ASN 252 N -4.28 -3.86 0.00 -0.43 3.02 -1.26 -2.09 115.26 106.36 3iai n ASN 252 Ca 0.00 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 3iai n ASN 252 Cb 0.25 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.82 3iai n ASN 252 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iai n GLY 253 N -1.64 3.03 3.77 7.41 0.00 -1.26 -5.05 105.19 111.45 3iai n GLY 253 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3iai n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iai s ARG 254 N -0.62 3.81 -0.20 1.61 0.52 -0.89 -5.01 118.95 118.17 3iai s ARG 254 Ca 0.00 2.10 -0.03 0.00 -0.52 0.00 0.00 55.73 57.29 3iai s ARG 254 Cb 0.00 -2.62 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 3iai s ARG 254 CO 0.00 -0.61 -0.08 0.08 0.02 0.00 0.00 175.30 174.71 3iai s VAL 255 N -1.32 3.15 0.16 3.52 1.01 -1.26 -4.91 120.40 120.75 3iai s VAL 255 Ca 0.60 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 3iai s VAL 255 Cb -0.37 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 3iai s VAL 255 CO 0.46 0.46 1.05 -0.63 0.00 0.00 0.00 175.10 176.44 3iai s ILE 256 N 1.27 4.06 0.10 2.22 1.01 -1.26 -4.88 121.20 123.71 3iai s ILE 256 Ca 0.03 1.77 0.01 0.00 0.00 0.00 0.00 60.65 62.46 3iai s ILE 256 Cb -0.14 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 3iai s ILE 256 CO -0.03 0.30 0.23 -1.61 0.00 0.00 0.00 174.94 173.83 3iai s GLU 257 N -0.29 3.41 -0.02 2.79 2.02 -0.14 -0.25 118.70 126.22 3iai s GLU 257 Ca 0.48 -0.52 0.06 0.00 0.02 0.00 0.00 54.97 55.02 3iai s GLU 257 Cb -0.27 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 30.95 3iai s GLU 257 CO 0.33 0.57 -0.21 0.00 0.02 0.00 0.00 175.26 175.97 3iai s ALA 258 N -1.60 1.79 -2.18 5.21 0.00 0.13 -0.58 121.76 124.53 3iai s ALA 258 Ca 0.35 -0.91 0.23 0.00 0.00 0.00 0.00 51.96 51.63 3iai s ALA 258 Cb -0.12 -0.48 1.13 0.00 0.00 0.00 0.00 23.12 23.65 3iai s ALA 258 CO 0.28 0.42 1.76 -1.13 0.00 0.00 0.00 175.76 177.09 3iai n SER 259 N 2.64 0.80 -4.02 0.00 3.41 -0.23 -0.99 113.62 115.24 3iai n SER 259 Ca -0.16 -1.45 -0.11 0.00 -0.26 0.00 0.00 58.87 56.89 3iai n SER 259 Cb 0.53 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.33 3iai n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3iai s PHE 260 N -1.93 0.44 -2.00 7.33 -0.71 -1.26 -4.88 117.98 114.97 3iai s PHE 260 Ca 0.35 -0.51 0.14 0.00 -1.04 0.00 0.00 56.93 55.87 3iai s PHE 260 Cb 0.17 -0.28 0.85 0.00 -1.21 0.00 0.00 43.02 42.55 3iai s PHE 260 CO 0.28 -0.14 1.27 -0.35 -1.34 0.00 0.00 175.22 174.94