#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyi s GLU 31 N 0.00 4.47 -0.41 3.23 2.12 -1.26 -4.79 118.70 122.05 3fyi s GLU 31 Ca 0.00 1.62 -0.29 0.00 0.36 0.00 0.00 54.97 56.66 3fyi s GLU 31 Cb 0.00 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.97 3fyi s GLU 31 CO 0.00 -0.21 1.51 0.42 -0.54 0.00 0.00 175.26 176.44 3fyi s ILE 32 N 1.24 3.78 -0.10 -3.70 1.01 -1.26 -0.91 121.20 121.26 3fyi s ILE 32 Ca 0.55 0.78 -0.05 0.00 0.00 0.00 0.00 60.65 61.93 3fyi s ILE 32 Cb -0.25 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3fyi s ILE 32 CO 0.27 -0.72 -0.14 -0.38 0.00 0.00 0.00 174.94 173.97 3fyi n ILE 33 N 7.15 0.64 -2.72 2.92 5.41 -0.20 -4.88 119.36 127.68 3fyi n ILE 33 Ca 0.18 -0.12 -0.43 0.00 1.00 0.00 0.00 62.75 63.38 3fyi n ILE 33 Cb 0.48 -1.66 -0.00 0.00 -0.71 0.00 0.00 39.64 37.74 3fyi n ILE 33 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3fyi s GLY 34 N -5.14 1.87 0.04 7.39 0.00 -0.68 -4.54 107.32 106.26 3fyi s GLY 34 Ca -0.15 -2.99 -0.17 0.00 0.00 0.00 0.00 44.72 41.41 3fyi s GLY 34 CO 0.19 2.46 0.38 1.09 0.00 0.00 0.00 173.10 177.22 3fyi s ARG 35 N 3.35 0.88 0.54 2.90 3.03 -1.26 -0.49 118.95 127.89 3fyi s ARG 35 Ca 0.48 -0.41 -0.19 0.00 2.03 0.00 0.00 55.73 57.64 3fyi s ARG 35 Cb 0.01 0.39 -0.06 0.00 -1.03 0.00 0.00 34.95 34.26 3fyi s ARG 35 CO 0.03 -0.30 1.10 -1.25 -1.13 0.00 0.00 175.30 173.75 3fyi s PRO 36 N -2.49 3.45 0.05 3.89 0.04 -1.26 -4.78 135.00 133.90 3fyi s PRO 36 Ca -0.05 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.56 3fyi s PRO 36 Cb -0.01 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3fyi s PRO 36 CO -0.03 -0.75 -0.16 -0.65 0.04 0.00 0.00 177.00 175.46 3fyi s GLN 37 N -3.35 2.11 0.08 4.56 -0.21 -1.26 -5.08 119.66 116.51 3fyi s GLN 37 Ca 0.70 -0.97 -0.34 0.00 0.02 0.00 0.00 55.36 54.77 3fyi s GLN 37 Cb -0.21 -2.24 -0.14 0.00 1.00 0.00 0.00 33.01 31.42 3fyi s GLN 37 CO 0.26 0.54 1.63 -2.30 -2.12 0.00 0.00 175.29 173.30 3fyi n PRO 38 N 1.37 2.03 -1.08 2.91 -0.02 -1.26 -1.43 135.00 137.52 3fyi n PRO 38 Ca -0.16 0.73 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 3fyi n PRO 38 Cb 0.52 -2.51 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 3fyi n PRO 38 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fyi n GLY 39 N 3.57 0.50 3.74 -1.23 0.00 -1.26 -4.98 105.19 105.53 3fyi n GLY 39 Ca 0.19 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3fyi n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyi s GLY 40 N -2.24 2.85 0.00 -0.02 0.00 -0.51 -4.94 107.32 102.45 3fyi s GLY 40 Ca 0.00 1.22 0.00 0.00 0.00 0.00 0.00 44.72 45.94 3fyi s GLY 40 CO 0.00 1.68 0.00 -1.30 0.00 0.00 0.00 173.10 173.48 3fyi n THR 41 N -1.47 0.00 -3.47 0.90 -2.24 -1.26 -5.03 114.28 101.72 3fyi n THR 41 Ca 0.13 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.52 3fyi n THR 41 Cb 0.47 0.92 0.02 0.00 -2.10 0.00 0.00 70.33 69.65 3fyi n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fyi n GLY 42 N 0.52 2.43 3.69 3.38 0.00 -1.26 -5.11 105.19 108.83 3fyi n GLY 42 Ca 0.00 -2.24 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 3fyi n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fyi s PHE 43 N -2.03 1.89 0.68 1.61 0.08 -1.26 -5.03 117.98 113.93 3fyi s PHE 43 Ca 0.35 1.64 -0.15 0.00 0.12 0.00 0.00 56.93 58.90 3fyi s PHE 43 Cb -0.03 -3.23 0.01 0.00 -0.57 0.00 0.00 43.02 39.20 3fyi s PHE 43 CO 0.22 -2.61 1.14 -0.65 -0.10 0.00 0.00 175.22 173.22 3fyi s GLN 44 N -4.72 2.58 0.52 0.44 -0.21 -1.26 -4.97 119.66 112.04 3fyi s GLN 44 Ca 0.65 1.50 -0.21 0.00 0.02 0.00 0.00 55.36 57.32 3fyi s GLN 44 Cb -0.21 -1.91 -0.07 0.00 1.00 0.00 0.00 33.01 31.81 3fyi s GLN 44 CO 0.58 -1.44 0.99 -2.30 -2.12 0.00 0.00 175.29 170.99 3fyi n PRO 45 N -2.54 1.14 -2.72 2.91 -0.02 -1.26 -4.85 135.00 127.66 3fyi n PRO 45 Ca 0.11 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.61 3fyi n PRO 45 Cb 0.51 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 3fyi n PRO 45 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fyi s SER 46 N -0.99 7.58 -0.02 2.55 0.15 -1.26 -4.35 113.70 117.36 3fyi s SER 46 Ca 0.70 1.94 0.02 0.00 0.70 0.00 0.00 55.95 59.30 3fyi s SER 46 Cb -0.47 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.27 3fyi s SER 46 CO 0.52 0.08 0.85 0.00 1.20 0.00 0.00 173.24 175.89 3fyi n ALA 47 N 1.80 1.69 -2.34 5.45 0.00 -0.21 -5.00 120.51 121.90 3fyi n ALA 47 Ca -0.01 -1.04 -0.08 0.00 0.00 0.00 0.00 53.44 52.32 3fyi n ALA 47 Cb 0.47 -0.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.57 3fyi n ALA 47 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3fyi s SER 48 N -0.90 0.32 0.36 0.00 1.04 -1.23 -0.80 113.70 112.49 3fyi s SER 48 Ca 0.04 -0.82 0.07 0.00 0.48 0.00 0.00 55.95 55.72 3fyi s SER 48 Cb 0.04 0.25 0.69 0.00 0.10 0.00 0.00 66.02 67.10 3fyi s SER 48 CO 0.00 -0.63 1.89 1.55 0.98 0.00 0.00 173.24 177.04 3fyi h PRO 49 N 3.09 0.37 -0.37 4.02 0.13 -1.92 -2.37 132.00 134.96 3fyi h PRO 49 Ca -0.34 -0.08 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 3fyi h PRO 49 Cb 1.17 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3fyi h PRO 49 CO 0.60 0.46 0.10 0.28 -0.23 0.00 0.00 178.00 179.22 3fyi h VAL 50 N 0.36 1.22 -0.66 1.56 2.07 -1.91 -2.12 116.25 116.76 3fyi h VAL 50 Ca 0.08 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3fyi h VAL 50 Cb 0.36 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3fyi h VAL 50 CO 0.02 0.25 0.42 0.00 0.02 0.00 0.00 177.57 178.28 3fyi h ALA 51 N 0.95 0.84 -0.65 1.67 0.00 -1.59 -1.92 119.26 118.55 3fyi h ALA 51 Ca 0.12 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3fyi h ALA 51 Cb 0.27 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3fyi h ALA 51 CO -0.00 0.28 0.29 1.15 0.00 0.00 0.00 179.25 180.98 3fyi h THR 52 N 0.90 0.83 -0.45 0.00 2.02 -1.31 -0.59 112.91 114.31 3fyi h THR 52 Ca 0.24 -0.18 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 3fyi h THR 52 Cb -0.08 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 3fyi h THR 52 CO -0.05 0.09 0.06 1.56 0.37 0.00 0.00 175.52 177.55 3fyi h GLN 53 N 0.52 0.69 -0.25 6.66 4.20 -0.95 -1.79 115.11 124.19 3fyi h GLN 53 Ca 0.32 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3fyi h GLN 53 Cb 0.35 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3fyi h GLN 53 CO -0.27 0.67 -0.04 0.82 -0.67 0.00 0.00 178.83 179.34 3fyi h ILE 54 N 0.66 1.27 -0.98 2.54 2.04 -0.71 -1.13 117.51 121.21 3fyi h ILE 54 Ca 0.14 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3fyi h ILE 54 Cb 0.32 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3fyi h ILE 54 CO 0.01 0.32 0.64 0.45 0.00 0.00 0.00 178.15 179.56 3fyi h HIS 55 N 0.22 1.21 -0.06 1.37 3.86 -0.88 -0.35 115.15 120.53 3fyi h HIS 55 Ca 0.07 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3fyi h HIS 55 Cb 0.49 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.55 3fyi h HIS 55 CO 0.05 0.73 -0.17 2.35 0.86 0.00 0.00 177.93 181.74 3fyi h TRP 56 N 1.27 0.28 -0.55 2.45 7.01 -1.29 -1.34 115.95 123.78 3fyi h TRP 56 Ca 0.38 -0.11 -0.01 0.00 2.11 0.00 0.00 58.89 61.26 3fyi h TRP 56 Cb -0.07 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 26.92 3fyi h TRP 56 CO -0.00 0.78 0.31 1.25 -2.79 0.00 0.00 178.44 177.99 3fyi h LEU 57 N -0.31 0.68 -0.59 0.65 5.85 -1.13 -0.86 115.31 119.60 3fyi h LEU 57 Ca -0.00 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 3fyi h LEU 57 Cb 0.79 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3fyi h LEU 57 CO 0.04 0.57 0.18 -0.78 -0.34 0.00 0.00 178.44 178.10 3fyi h ASP 58 N 0.74 0.86 -0.47 1.25 3.58 -1.11 -1.36 116.42 119.90 3fyi h ASP 58 Ca 0.19 -0.21 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 3fyi h ASP 58 Cb 0.03 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 3fyi h ASP 58 CO -0.03 0.84 0.25 1.23 -2.88 0.00 0.00 179.24 178.64 3fyi h GLY 59 N 0.83 0.75 0.59 -0.78 0.00 -0.97 0.32 103.07 103.80 3fyi h GLY 59 Ca 0.19 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3fyi h GLY 59 CO -0.01 0.33 -0.10 -2.75 0.00 0.00 0.00 176.54 174.01 3fyi h PHE 60 N 0.71 -0.26 -0.72 5.60 3.04 -0.91 -2.58 116.94 121.81 3fyi h PHE 60 Ca 0.18 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 3fyi h PHE 60 Cb 0.07 0.09 -0.04 0.00 2.56 0.00 0.00 35.95 38.63 3fyi h PHE 60 CO 0.01 0.11 0.44 0.82 -2.02 0.00 0.00 178.31 177.67 3fyi h ILE 61 N -0.70 1.20 -0.27 1.41 2.04 -1.08 -2.86 117.51 117.25 3fyi h ILE 61 Ca -0.03 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.43 3fyi h ILE 61 Cb 0.49 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3fyi h ILE 61 CO 0.05 0.21 0.12 0.25 0.00 0.00 0.00 178.15 178.77 3fyi h LEU 62 N 0.99 0.16 -0.26 1.44 5.85 -0.31 0.38 115.31 123.56 3fyi h LEU 62 Ca 0.26 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.06 3fyi h LEU 62 Cb -0.05 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 3fyi h LEU 62 CO -0.05 0.13 -0.21 0.58 -0.34 0.00 0.00 178.44 178.55 3fyi h VAL 63 N 0.25 0.45 -0.04 1.05 2.07 -1.24 0.11 116.25 118.90 3fyi h VAL 63 Ca 0.11 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 3fyi h VAL 63 Cb 0.05 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3fyi h VAL 63 CO -0.09 0.00 -0.12 0.40 0.02 0.00 0.00 177.57 177.78 3fyi h ILE 64 N -0.19 0.68 -0.04 4.57 2.04 -1.29 -1.45 117.51 121.82 3fyi h ILE 64 Ca 0.15 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.88 3fyi h ILE 64 Cb 0.42 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3fyi h ILE 64 CO -0.38 0.00 -0.54 0.16 0.00 0.00 0.00 178.15 177.39 3fyi h ILE 65 N -0.18 1.38 -0.56 -0.67 3.07 -0.66 -0.29 117.51 119.59 3fyi h ILE 65 Ca 0.06 -1.86 -0.06 0.00 1.55 0.00 0.00 64.86 64.55 3fyi h ILE 65 Cb 0.26 1.96 -0.02 0.00 -0.27 0.00 0.00 36.82 38.75 3fyi h ILE 65 CO -0.15 0.54 0.12 0.00 -1.05 0.00 0.00 178.15 177.60 3fyi h ALA 66 N 1.36 0.74 0.06 0.16 0.00 -0.64 -0.53 119.26 120.40 3fyi h ALA 66 Ca -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3fyi h ALA 66 Cb 0.99 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3fyi h ALA 66 CO 0.08 0.46 -0.13 0.00 0.00 0.00 0.00 179.25 179.66 3fyi h ALA 67 N 1.01 -0.20 -0.38 0.00 0.00 -0.87 0.29 119.26 119.12 3fyi h ALA 67 Ca 0.17 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3fyi h ALA 67 Cb 0.37 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 3fyi h ALA 67 CO 0.01 -0.64 0.03 0.82 0.00 0.00 0.00 179.25 179.46 3fyi h ILE 68 N -0.25 0.75 -0.21 0.00 2.04 -0.94 0.19 117.51 119.09 3fyi h ILE 68 Ca 0.03 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3fyi h ILE 68 Cb 0.27 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3fyi h ILE 68 CO -0.08 0.03 0.08 0.74 0.00 0.00 0.00 178.15 178.91 3fyi h THR 69 N 0.14 1.18 -0.48 -0.27 2.02 -0.94 -0.25 112.91 114.30 3fyi h THR 69 Ca 0.18 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3fyi h THR 69 Cb 0.24 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3fyi h THR 69 CO -0.28 0.18 0.27 0.40 0.37 0.00 0.00 175.52 176.45 3fyi h ILE 70 N 0.18 1.17 0.21 3.11 2.04 -0.80 -0.87 117.51 122.54 3fyi h ILE 70 Ca 0.07 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3fyi h ILE 70 Cb 0.20 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3fyi h ILE 70 CO -0.00 0.17 -0.36 0.15 0.00 0.00 0.00 178.15 178.11 3fyi h PHE 71 N 0.64 -0.98 -0.78 1.37 -0.00 -0.77 0.10 116.94 116.53 3fyi h PHE 71 Ca 0.17 0.02 0.01 0.00 -0.00 0.00 0.00 57.97 58.17 3fyi h PHE 71 Cb 0.04 0.40 -0.04 0.00 -0.00 0.00 0.00 35.95 36.35 3fyi h PHE 71 CO -0.02 -0.48 0.52 0.28 -0.00 0.00 0.00 178.31 178.61 3fyi h VAL 72 N -0.64 1.19 -0.19 1.41 2.07 -0.98 -0.55 116.25 118.57 3fyi h VAL 72 Ca 0.01 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3fyi h VAL 72 Cb 0.63 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3fyi h VAL 72 CO -0.15 0.19 0.07 0.74 0.02 0.00 0.00 177.57 178.43 3fyi h THR 73 N 1.05 1.17 -0.81 2.57 2.02 -0.88 -1.59 112.91 116.44 3fyi h THR 73 Ca 0.29 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3fyi h THR 73 Cb -0.11 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3fyi h THR 73 CO -0.07 0.17 0.39 -0.07 0.37 0.00 0.00 175.52 176.32 3fyi h LEU 74 N 0.14 1.05 -0.42 2.58 3.38 -0.58 -1.51 115.31 119.95 3fyi h LEU 74 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3fyi h LEU 74 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3fyi h LEU 74 CO -0.00 0.88 0.27 -0.07 0.09 0.00 0.00 178.44 179.61 3fyi h LEU 75 N 1.15 0.49 -0.14 1.67 3.38 -0.91 0.23 115.31 121.19 3fyi h LEU 75 Ca 0.28 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 3fyi h LEU 75 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3fyi h LEU 75 CO -0.04 0.37 0.07 0.40 0.09 0.00 0.00 178.44 179.34 3fyi h ILE 76 N 0.57 1.10 -0.48 1.22 2.04 -1.04 -0.23 117.51 120.70 3fyi h ILE 76 Ca 0.15 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3fyi h ILE 76 Cb -0.05 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 3fyi h ILE 76 CO -0.03 0.10 0.05 -0.07 0.00 0.00 0.00 178.15 178.19 3fyi h LEU 77 N 0.11 0.79 0.31 1.44 3.38 -1.11 -1.50 115.31 118.73 3fyi h LEU 77 Ca 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3fyi h LEU 77 Cb 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3fyi h LEU 77 CO -0.01 0.87 -0.15 0.22 0.09 0.00 0.00 178.44 179.46 3fyi h TYR 78 N 0.68 -0.38 -0.94 1.13 5.03 -0.50 -2.05 116.97 119.95 3fyi h TYR 78 Ca 0.14 -0.01 0.16 0.00 2.58 0.00 0.00 58.73 61.61 3fyi h TYR 78 Cb 0.43 0.13 -0.10 0.00 1.55 0.00 0.00 36.73 38.74 3fyi h TYR 78 CO 0.03 -0.20 0.53 0.00 -1.32 0.00 0.00 178.16 177.20 3fyi h ALA 79 N 0.23 1.48 -0.18 1.82 0.00 -0.92 0.26 119.26 121.96 3fyi h ALA 79 Ca -0.04 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 3fyi h ALA 79 Cb 0.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3fyi h ALA 79 CO 0.07 -0.04 -0.53 0.28 0.00 0.00 0.00 179.25 179.03 3fyi h VAL 80 N 0.72 1.32 0.10 0.00 2.07 -1.19 -0.90 116.25 118.38 3fyi h VAL 80 Ca 0.52 -1.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 3fyi h VAL 80 Cb 0.75 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3fyi h VAL 80 CO -0.37 0.55 -0.05 -0.25 0.02 0.00 0.00 177.57 177.47 3fyi h TRP 81 N 0.40 -0.13 -0.24 1.57 7.01 -0.48 -2.88 115.95 121.19 3fyi h TRP 81 Ca 0.01 -0.00 -0.12 0.00 2.11 0.00 0.00 58.89 60.89 3fyi h TRP 81 Cb 1.06 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 28.15 3fyi h TRP 81 CO 0.04 0.37 -0.35 -0.09 -2.79 0.00 0.00 178.44 175.62 3fyi h ARG 82 N -0.74 0.52 -0.24 2.65 9.65 -0.56 -3.25 114.38 122.42 3fyi h ARG 82 Ca -0.01 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 3fyi h ARG 82 Cb 0.55 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3fyi h ARG 82 CO 0.02 0.80 0.00 1.19 2.80 0.00 0.00 179.97 184.78 3fyi n PHE 83 N -4.06 0.64 -1.66 2.20 3.72 -0.35 -4.39 117.46 113.57 3fyi n PHE 83 Ca -0.01 -0.76 -0.41 0.00 -0.05 0.00 0.00 57.45 56.22 3fyi n PHE 83 Cb 0.48 -0.20 0.01 0.00 -0.94 0.00 0.00 39.48 38.83 3fyi n PHE 83 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3fyi n HIS 84 N -0.32 1.70 0.12 1.38 -0.00 -1.09 -4.59 115.22 112.42 3fyi n HIS 84 Ca 0.17 0.53 0.17 0.00 -0.00 0.00 0.00 57.72 58.59 3fyi n HIS 84 Cb 0.69 -2.31 0.73 0.00 -0.00 0.00 0.00 29.99 29.11 3fyi n HIS 84 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 3fyi h GLU 85 N 1.83 0.00 0.00 1.57 4.11 -1.90 0.15 114.58 120.34 3fyi h GLU 85 Ca -0.46 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.89 3fyi h GLU 85 Cb 1.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3fyi h GLU 85 CO 0.59 0.00 -0.35 0.87 0.07 0.00 0.00 179.01 180.18 3fyi h LYS 86 N 0.00 0.00 0.00 1.06 1.79 -1.98 -3.31 116.57 114.13 3fyi h LYS 86 Ca 0.15 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.27 3fyi h LYS 86 Cb 0.66 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.24 3fyi h LYS 86 CO -0.00 0.35 -2.32 -2.13 -1.08 0.00 0.00 179.45 174.27 3fyi n ARG 87 N -3.48 0.82 -3.85 3.15 0.63 0.16 -4.77 116.66 109.32 3fyi n ARG 87 Ca 0.00 0.04 -0.30 0.00 -0.92 0.00 0.00 57.85 56.67 3fyi n ARG 87 Cb 0.51 -1.48 -0.14 0.00 0.45 0.00 0.00 32.46 31.79 3fyi n ARG 87 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3fyi s ASN 88 N -5.65 4.19 0.25 6.15 2.47 0.29 -4.99 114.94 117.66 3fyi s ASN 88 Ca -0.17 -2.32 0.14 0.00 0.42 0.00 0.00 52.86 50.92 3fyi s ASN 88 Cb 0.06 -1.28 0.02 0.00 -1.45 0.00 0.00 41.25 38.60 3fyi s ASN 88 CO 0.70 -0.33 1.41 0.11 -3.72 0.00 0.00 177.10 175.27 3fyi h LYS 89 N 7.27 0.00 -4.93 0.43 1.57 -1.83 -3.39 116.57 115.69 3fyi h LYS 89 Ca -0.06 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.05 3fyi h LYS 89 Cb 0.97 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.97 3fyi h LYS 89 CO 0.53 0.57 -0.75 0.08 -0.57 0.00 0.00 179.45 179.32 3fyi s VAL 90 N -2.92 2.93 0.44 0.50 1.01 -1.26 -5.08 120.40 116.02 3fyi s VAL 90 Ca 0.03 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3fyi s VAL 90 Cb 0.08 -2.44 -0.09 0.00 0.00 0.00 0.00 36.38 33.93 3fyi s VAL 90 CO 0.76 0.26 1.06 -2.16 0.00 0.00 0.00 175.10 175.02 3fyi s PRO 91 N 1.35 3.98 1.12 2.72 0.04 -1.26 -5.06 135.00 137.90 3fyi s PRO 91 Ca 0.02 1.50 -0.16 0.00 0.04 0.00 0.00 61.00 62.39 3fyi s PRO 91 Cb -0.16 -2.37 0.25 0.00 0.04 0.00 0.00 34.50 32.26 3fyi s PRO 91 CO -0.05 -0.30 1.11 0.00 0.04 0.00 0.00 177.00 177.80 3fyi s ALA 92 N -1.75 0.76 0.00 8.56 0.00 -1.26 -5.03 121.76 123.04 3fyi s ALA 92 Ca 0.62 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3fyi s ALA 92 Cb -0.21 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.94 3fyi s ALA 92 CO 0.26 -3.28 0.31 0.54 0.00 0.00 0.00 175.76 173.59 3fyi n ARG 93 N -4.52 0.05 -1.80 0.00 1.74 -1.26 -5.09 116.66 105.79 3fyi n ARG 93 Ca 0.10 -0.36 -0.38 0.00 -0.77 0.00 0.00 57.85 56.43 3fyi n ARG 93 Cb 0.59 -0.67 0.04 0.00 -1.02 0.00 0.00 32.46 31.39 3fyi n ARG 93 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3fyi s PHE 94 N -0.10 2.32 -0.00 -1.55 -0.12 -1.26 -4.94 117.98 112.33 3fyi s PHE 94 Ca 0.00 1.37 0.00 0.00 -0.05 0.00 0.00 56.93 58.25 3fyi s PHE 94 Cb 0.00 -3.80 0.00 0.00 -0.63 0.00 0.00 43.02 38.59 3fyi s PHE 94 CO 0.00 -2.86 0.68 0.25 -0.05 0.00 0.00 175.22 173.24 3fyi n THR 95 N -0.92 0.36 -3.80 -4.49 -2.24 -1.26 -5.09 114.28 96.83 3fyi n THR 95 Ca 0.10 -0.36 -0.12 0.00 -2.27 0.00 0.00 64.05 61.40 3fyi n THR 95 Cb 0.45 0.81 -0.09 0.00 -2.10 0.00 0.00 70.33 69.40 3fyi n THR 95 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3fyi s HIS 96 N -0.37 -0.05 -0.45 4.78 3.76 -1.26 -5.10 115.29 116.61 3fyi s HIS 96 Ca 0.00 -0.03 0.02 0.00 -0.15 0.00 0.00 55.06 54.90 3fyi s HIS 96 Cb 0.00 0.03 0.21 0.00 1.11 0.00 0.00 32.58 33.93 3fyi s HIS 96 CO 0.00 -0.40 0.89 -1.71 -0.85 0.00 0.00 174.74 172.67 3fyi n ASN 97 N 1.00 -2.63 -0.22 1.40 2.85 -1.26 -5.09 115.26 111.31 3fyi n ASN 97 Ca -0.20 -2.20 -0.00 0.00 -0.11 0.00 0.00 54.58 52.06 3fyi n ASN 97 Cb 0.57 1.36 0.07 0.00 1.24 0.00 0.00 39.78 43.02 3fyi n ASN 97 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3fyi h SER 98 N 4.57 -0.60 -0.97 1.20 0.02 -1.98 -0.24 113.55 115.54 3fyi h SER 98 Ca 0.01 0.19 0.12 0.00 -0.84 0.00 0.00 61.79 61.27 3fyi h SER 98 Cb 1.13 0.40 -0.08 0.00 0.14 0.00 0.00 62.40 63.99 3fyi h SER 98 CO -0.02 -0.21 0.60 -0.65 -1.14 0.00 0.00 176.83 175.40 3fyi h PRO 99 N 0.00 0.92 -0.26 3.45 0.11 -1.99 -0.51 132.00 133.72 3fyi h PRO 99 Ca 0.31 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.20 3fyi h PRO 99 Cb 0.47 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3fyi h PRO 99 CO -0.67 0.61 -0.49 1.25 -0.21 0.00 0.00 178.00 178.49 3fyi h LEU 100 N 0.95 0.88 -1.28 2.35 5.85 -1.54 -1.45 115.31 121.07 3fyi h LEU 100 Ca 0.48 -0.54 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3fyi h LEU 100 Cb 0.47 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3fyi h LEU 100 CO -0.27 1.25 -0.35 -0.33 -0.34 0.00 0.00 178.44 178.41 3fyi h GLU 101 N 0.54 0.00 -0.00 1.25 5.08 -0.89 0.98 114.58 121.55 3fyi h GLU 101 Ca 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3fyi h GLU 101 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3fyi h GLU 101 CO 0.11 0.35 -0.21 0.82 -1.00 0.00 0.00 179.01 179.08 3fyi h ILE 102 N 0.00 1.56 -0.41 3.13 1.08 -1.04 -2.90 117.51 118.92 3fyi h ILE 102 Ca -0.00 -1.94 0.04 0.00 -0.39 0.00 0.00 64.86 62.57 3fyi h ILE 102 Cb 0.67 2.80 -0.04 0.00 -3.07 0.00 0.00 36.82 37.18 3fyi h ILE 102 CO 0.05 0.53 0.18 0.00 -0.69 0.00 0.00 178.15 178.21 3fyi h ALA 103 N 0.24 0.50 0.00 1.87 0.00 -1.09 -1.69 119.26 119.10 3fyi h ALA 103 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fyi h ALA 103 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3fyi h ALA 103 CO 0.04 -0.20 0.00 -2.67 0.00 0.00 0.00 179.25 176.42 3fyi n TRP 104 N -4.97 0.00 -0.09 0.00 2.14 0.32 -1.79 117.44 113.06 3fyi n TRP 104 Ca 0.02 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.36 3fyi n TRP 104 Cb 0.13 -0.28 -0.12 0.00 -0.81 0.00 0.00 31.31 30.23 3fyi n TRP 104 CO 0.00 0.00 0.00 2.41 2.07 0.00 0.00 177.69 182.17 3fyi n THR 105 N -1.28 1.59 -0.15 -1.67 -1.04 -1.06 -4.37 114.28 106.31 3fyi n THR 105 Ca 0.14 -0.36 -0.10 0.00 -2.04 0.00 0.00 64.05 61.69 3fyi n THR 105 Cb 0.22 -1.83 -0.01 0.00 -1.82 0.00 0.00 70.33 66.90 3fyi n THR 105 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3fyi h ILE 106 N -0.57 1.25 0.12 12.58 2.04 -1.26 -3.03 117.51 128.65 3fyi h ILE 106 Ca -0.49 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.44 3fyi h ILE 106 Cb 1.66 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 3fyi h ILE 106 CO -0.16 0.32 -0.17 0.58 0.00 0.00 0.00 178.15 178.73 3fyi h VAL 107 N 0.56 0.62 -0.70 1.67 2.07 -1.59 0.10 116.25 118.99 3fyi h VAL 107 Ca 0.12 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.79 3fyi h VAL 107 Cb 0.42 0.62 -0.11 0.00 -1.52 0.00 0.00 31.29 30.71 3fyi h VAL 107 CO 0.01 0.00 0.13 -0.65 0.02 0.00 0.00 177.57 177.09 3fyi h PRO 108 N -0.34 0.23 -0.75 1.57 0.11 -1.76 -0.66 132.00 130.40 3fyi h PRO 108 Ca 0.02 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.14 3fyi h PRO 108 Cb 0.34 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.35 3fyi h PRO 108 CO -0.07 0.15 0.47 0.82 -0.21 0.00 0.00 178.00 179.16 3fyi h ILE 109 N 0.24 1.11 -0.44 4.15 2.04 -1.21 -1.88 117.51 121.51 3fyi h ILE 109 Ca 0.38 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3fyi h ILE 109 Cb 0.64 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3fyi h ILE 109 CO -0.50 0.17 0.18 0.58 0.00 0.00 0.00 178.15 178.58 3fyi h VAL 110 N 0.93 1.20 -0.61 1.67 2.07 -0.25 -1.91 116.25 119.35 3fyi h VAL 110 Ca 0.30 -0.61 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3fyi h VAL 110 Cb 0.02 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3fyi h VAL 110 CO -0.11 0.22 0.36 0.40 0.02 0.00 0.00 177.57 178.46 3fyi h ILE 111 N 0.56 1.04 -0.22 4.57 2.04 -0.82 -1.67 117.51 123.02 3fyi h ILE 111 Ca 0.15 -0.24 -0.20 0.00 1.00 0.00 0.00 64.86 65.57 3fyi h ILE 111 Cb 0.18 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3fyi h ILE 111 CO -0.01 0.13 -0.64 -0.07 0.00 0.00 0.00 178.15 177.55 3fyi h LEU 112 N 0.70 0.91 -0.75 1.44 3.38 -1.18 -1.97 115.31 117.84 3fyi h LEU 112 Ca 0.25 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3fyi h LEU 112 Cb 0.07 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 3fyi h LEU 112 CO -0.12 1.32 0.34 0.58 0.09 0.00 0.00 178.44 180.65 3fyi h VAL 113 N 0.58 1.25 -0.42 1.22 2.07 -1.24 -0.06 116.25 119.65 3fyi h VAL 113 Ca -0.01 -0.72 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 3fyi h VAL 113 Cb 1.25 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3fyi h VAL 113 CO 0.14 0.30 0.20 0.00 0.02 0.00 0.00 177.57 178.23 3fyi h ALA 114 N 1.17 0.54 -0.03 1.67 0.00 -1.21 -0.08 119.26 121.33 3fyi h ALA 114 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3fyi h ALA 114 Cb 0.15 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fyi h ALA 114 CO -0.03 0.10 0.02 0.82 0.00 0.00 0.00 179.25 180.16 3fyi h ILE 115 N 0.54 1.11 -0.43 0.00 2.04 -1.15 -2.81 117.51 116.81 3fyi h ILE 115 Ca 0.14 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.73 3fyi h ILE 115 Cb 0.12 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3fyi h ILE 115 CO -0.02 0.09 0.29 1.23 0.00 0.00 0.00 178.15 179.74 3fyi h GLY 116 N -0.08 0.44 1.03 5.37 0.00 -0.89 0.20 103.07 109.15 3fyi h GLY 116 Ca 0.01 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3fyi h GLY 116 CO -0.00 0.12 0.23 0.00 0.00 0.00 0.00 176.54 176.88 3fyi h ALA 117 N 1.77 0.91 0.00 3.60 0.00 -0.76 -0.69 119.26 124.08 3fyi h ALA 117 Ca 0.18 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 3fyi h ALA 117 Cb 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3fyi h ALA 117 CO -0.04 0.57 -0.98 0.74 0.00 0.00 0.00 179.25 179.54 3fyi h PHE 118 N 1.01 0.00 0.12 0.00 -1.00 -1.25 -3.40 116.94 112.42 3fyi h PHE 118 Ca 0.22 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.81 3fyi h PHE 118 Cb 0.28 0.00 0.02 0.00 3.61 0.00 0.00 35.95 39.87 3fyi h PHE 118 CO 0.02 0.94 -0.84 1.03 -1.61 0.00 0.00 178.31 177.86 3fyi h SER 119 N 0.00 0.53 -0.53 2.17 0.87 -0.38 -3.32 113.55 112.90 3fyi h SER 119 Ca -0.02 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.63 3fyi h SER 119 Cb 1.74 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 63.50 3fyi h SER 119 CO 0.12 1.39 0.34 -0.07 -0.53 0.00 0.00 176.83 178.08 3fyi h LEU 120 N -0.24 0.62 -0.90 2.23 3.38 -1.34 -1.41 115.31 117.63 3fyi h LEU 120 Ca -0.14 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3fyi h LEU 120 Cb 1.62 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 3fyi h LEU 120 CO 0.16 0.46 0.60 -0.65 0.09 0.00 0.00 178.44 179.10 3fyi h PRO 121 N 0.71 1.19 -0.93 1.13 0.11 -1.78 -0.57 132.00 131.86 3fyi h PRO 121 Ca 0.19 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.23 3fyi h PRO 121 Cb -0.06 -0.27 -0.05 0.00 0.11 0.00 0.00 31.00 30.74 3fyi h PRO 121 CO -0.04 0.79 0.58 0.28 -0.21 0.00 0.00 178.00 179.40 3fyi h VAL 122 N 1.23 1.25 -0.70 3.15 2.07 -1.59 -0.50 116.25 121.15 3fyi h VAL 122 Ca 0.33 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 3fyi h VAL 122 Cb -0.14 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.52 3fyi h VAL 122 CO -0.07 0.26 0.15 0.25 0.02 0.00 0.00 177.57 178.17 3fyi h LEU 123 N 1.27 1.08 -0.26 2.57 5.85 -0.66 -1.80 115.31 123.37 3fyi h LEU 123 Ca 0.34 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3fyi h LEU 123 Cb -0.09 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.65 3fyi h LEU 123 CO -0.07 1.05 0.10 -0.26 -0.34 0.00 0.00 178.44 178.92 3fyi h PHE 124 N 1.06 0.40 -0.85 1.25 -1.00 -0.58 -1.00 116.94 116.22 3fyi h PHE 124 Ca 0.22 -0.03 0.09 0.00 2.81 0.00 0.00 57.97 61.06 3fyi h PHE 124 Cb 0.40 -0.12 -0.06 0.00 3.61 0.00 0.00 35.95 39.79 3fyi h PHE 124 CO 0.03 0.42 0.55 -0.97 -1.61 0.00 0.00 178.31 176.73 3fyi h ASN 125 N 0.26 0.74 -0.19 2.17 -1.24 -1.02 -0.79 115.58 115.51 3fyi h ASN 125 Ca 0.09 0.02 -0.13 0.00 0.71 0.00 0.00 56.30 56.98 3fyi h ASN 125 Cb 0.20 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.11 3fyi h ASN 125 CO -0.01 0.44 -0.40 -0.61 -1.29 0.00 0.00 177.43 175.57 3fyi h GLN 126 N 0.82 0.61 -0.00 6.67 4.15 -0.91 -3.36 115.11 123.09 3fyi h GLN 126 Ca 0.39 -0.40 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3fyi h GLN 126 Cb 0.42 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3fyi h GLN 126 CO -0.16 1.01 -0.89 1.04 -1.93 0.00 0.00 178.83 177.91 3fyi n GLN 127 N -4.25 0.53 -2.88 1.69 1.13 -0.42 -4.71 117.38 108.48 3fyi n GLN 127 Ca -0.06 -0.10 -0.43 0.00 -1.94 0.00 0.00 57.00 54.48 3fyi n GLN 127 Cb 0.54 -1.44 -0.05 0.00 0.11 0.00 0.00 30.24 29.40 3fyi n GLN 127 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3fyi s GLU 128 N -2.82 3.59 -0.40 -1.09 2.02 -0.32 -5.01 118.70 114.68 3fyi s GLU 128 Ca 0.08 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 54.98 3fyi s GLU 128 Cb 0.15 -3.89 0.02 0.00 0.10 0.00 0.00 34.13 30.52 3fyi s GLU 128 CO 0.79 -1.09 1.10 0.42 0.02 0.00 0.00 175.26 176.50 3fyi s ILE 129 N 3.48 4.36 0.92 -1.63 -1.09 -1.26 -4.92 121.20 121.06 3fyi s ILE 129 Ca 0.34 1.47 -0.16 0.00 -2.23 0.00 0.00 60.65 60.08 3fyi s ILE 129 Cb -0.11 -4.51 0.21 0.00 -1.58 0.00 0.00 42.46 36.47 3fyi s ILE 129 CO 0.23 -0.75 1.16 -0.81 -1.23 0.00 0.00 174.94 173.54 3fyi n PRO 130 N 7.35 -1.47 -2.18 2.79 -0.04 -1.26 -5.00 135.00 135.19 3fyi n PRO 130 Ca 0.12 -1.80 -0.42 0.00 -0.04 0.00 0.00 63.50 61.36 3fyi n PRO 130 Cb 0.48 -1.27 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 3fyi n PRO 130 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fyi s GLU 131 N -5.55 4.31 0.10 0.54 2.02 -1.26 -4.99 118.70 113.87 3fyi s GLU 131 Ca 0.67 2.06 -0.29 0.00 0.02 0.00 0.00 54.97 57.42 3fyi s GLU 131 Cb -0.03 -3.34 -0.06 0.00 0.10 0.00 0.00 34.13 30.81 3fyi s GLU 131 CO 0.48 -0.48 0.93 0.00 0.02 0.00 0.00 175.26 176.21 3fyi s ALA 132 N 1.46 3.26 0.02 5.21 0.00 -1.26 -4.86 121.76 125.60 3fyi s ALA 132 Ca 0.65 0.53 -0.09 0.00 0.00 0.00 0.00 51.96 53.05 3fyi s ALA 132 Cb -0.36 -3.23 -0.31 0.00 0.00 0.00 0.00 23.12 19.22 3fyi s ALA 132 CO 0.29 -0.01 0.93 -0.44 0.00 0.00 0.00 175.76 176.54 3fyi h ASP 133 N 5.57 0.59 -3.73 0.00 3.32 -1.15 -3.47 116.42 117.54 3fyi h ASP 133 Ca -0.43 -0.72 -0.38 0.00 0.02 0.00 0.00 57.03 55.52 3fyi h ASP 133 Cb 1.21 -0.19 -0.31 0.00 0.22 0.00 0.00 39.33 40.26 3fyi h ASP 133 CO 0.72 1.58 -0.77 -0.69 -1.72 0.00 0.00 179.24 178.36 3fyi s VAL 134 N -2.61 0.53 -0.15 -1.35 1.01 -0.77 -4.99 120.40 112.07 3fyi s VAL 134 Ca -0.09 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.70 3fyi s VAL 134 Cb 0.06 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.95 3fyi s VAL 134 CO 0.89 0.18 -0.21 -0.89 0.00 0.00 0.00 175.10 175.08 3fyi s THR 135 N 0.33 2.12 -0.07 3.92 2.01 -1.26 -1.36 115.64 121.33 3fyi s THR 135 Ca -0.04 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.05 3fyi s THR 135 Cb -0.08 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.57 3fyi s THR 135 CO -0.00 0.54 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.58 3fyi s VAL 136 N 0.88 1.77 -0.22 3.82 1.01 -0.70 -4.04 120.40 122.91 3fyi s VAL 136 Ca -0.05 -0.87 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 3fyi s VAL 136 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3fyi s VAL 136 CO -0.03 0.50 0.11 -0.75 0.00 0.00 0.00 175.10 174.93 3fyi s LYS 137 N 0.25 3.96 -0.13 2.72 2.20 0.13 -0.37 119.74 128.50 3fyi s LYS 137 Ca -0.12 -0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 55.15 3fyi s LYS 137 Cb -0.16 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 3fyi s LYS 137 CO 0.06 0.08 -0.12 0.08 -0.36 0.00 0.00 175.35 175.09 3fyi s VAL 138 N 0.95 3.17 -0.13 4.02 1.01 0.18 -0.36 120.40 129.23 3fyi s VAL 138 Ca 0.06 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3fyi s VAL 138 Cb -0.13 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3fyi s VAL 138 CO 0.03 0.52 -0.21 -0.89 0.00 0.00 0.00 175.10 174.56 3fyi s THR 139 N 0.31 1.94 -0.01 3.92 2.01 0.23 -1.46 115.64 122.59 3fyi s THR 139 Ca -0.09 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 60.74 3fyi s THR 139 Cb -0.16 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 3fyi s THR 139 CO 0.05 0.53 0.77 -0.83 -0.69 0.00 0.00 174.62 174.45 3fyi s GLY 140 N 0.81 2.73 0.25 4.40 0.00 -0.43 -0.46 107.32 114.62 3fyi s GLY 140 Ca -0.08 0.25 0.07 0.00 0.00 0.00 0.00 44.72 44.96 3fyi s GLY 140 CO -0.01 1.21 -0.09 -0.19 0.00 0.00 0.00 173.10 174.02 3fyi s TYR 141 N 0.47 1.86 -0.52 1.90 1.51 -0.12 -0.98 117.35 121.47 3fyi s TYR 141 Ca 0.40 -0.65 -0.26 0.00 -1.01 0.00 0.00 57.07 55.55 3fyi s TYR 141 Cb -0.19 -0.99 0.03 0.00 -0.11 0.00 0.00 41.96 40.70 3fyi s TYR 141 CO 0.21 0.31 1.02 -0.65 -1.11 0.00 0.00 175.55 175.34 3fyi s GLN 142 N -3.70 3.48 -0.43 -0.62 -0.21 -1.26 -1.40 119.66 115.52 3fyi s GLN 142 Ca 0.27 0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.75 3fyi s GLN 142 Cb 0.02 -3.99 0.13 0.00 1.00 0.00 0.00 33.01 30.17 3fyi s GLN 142 CO 0.10 -1.45 0.23 -1.58 -2.12 0.00 0.00 175.29 170.48 3fyi s TRP 143 N 4.20 1.93 0.03 0.91 0.51 -1.26 -5.14 118.94 120.11 3fyi s TRP 143 Ca 0.37 -2.38 -0.29 0.00 -2.12 0.00 0.00 56.10 51.69 3fyi s TRP 143 Cb -0.10 -1.85 0.11 0.00 -0.81 0.00 0.00 33.47 30.82 3fyi s TRP 143 CO 0.24 -0.79 1.21 1.52 -0.51 0.00 0.00 176.95 178.63 3fyi s TYR 144 N 0.42 -0.06 -0.04 -1.98 1.13 -0.49 -4.73 117.35 111.60 3fyi s TYR 144 Ca 0.17 -0.09 0.04 0.00 -1.41 0.00 0.00 57.07 55.78 3fyi s TYR 144 Cb -0.24 0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 41.16 3fyi s TYR 144 CO 0.00 -0.41 -0.15 -1.58 -2.51 0.00 0.00 175.55 170.90 3fyi s TRP 145 N -2.61 2.68 -0.11 -3.49 0.52 -0.95 -0.94 118.94 114.04 3fyi s TRP 145 Ca 0.14 -0.17 -0.01 0.00 0.02 0.00 0.00 56.10 56.07 3fyi s TRP 145 Cb 0.03 -1.61 -0.03 0.00 -1.15 0.00 0.00 33.47 30.71 3fyi s TRP 145 CO -0.02 0.19 -0.05 0.20 0.02 0.00 0.00 176.95 177.28 3fyi s GLY 146 N -0.80 1.71 -0.07 0.98 0.00 0.39 -0.14 107.32 109.40 3fyi s GLY 146 Ca 0.12 -0.85 0.05 0.00 0.00 0.00 0.00 44.72 44.03 3fyi s GLY 146 CO 0.01 -0.38 -0.20 -0.19 0.00 0.00 0.00 173.10 172.34 3fyi s TYR 147 N -0.26 2.56 -0.05 1.90 1.51 0.37 -0.60 117.35 122.79 3fyi s TYR 147 Ca 0.04 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.58 3fyi s TYR 147 Cb -0.13 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 3fyi s TYR 147 CO 0.02 -0.10 -0.11 -2.00 -1.11 0.00 0.00 175.55 172.26 3fyi s GLU 148 N -0.25 1.34 -0.61 -0.62 2.12 0.51 -1.28 118.70 119.91 3fyi s GLU 148 Ca -0.00 -0.36 -0.07 0.00 0.36 0.00 0.00 54.97 54.89 3fyi s GLU 148 Cb -0.13 -1.17 0.16 0.00 0.26 0.00 0.00 34.13 33.24 3fyi s GLU 148 CO 0.03 0.07 0.47 0.71 -0.54 0.00 0.00 175.26 176.00 3fyi s TYR 149 N 0.45 3.50 0.33 5.30 1.51 0.24 0.23 117.35 128.91 3fyi s TYR 149 Ca -0.09 -2.25 0.03 0.00 -1.01 0.00 0.00 57.07 53.75 3fyi s TYR 149 Cb -0.13 -3.44 0.64 0.00 -0.11 0.00 0.00 41.96 38.92 3fyi s TYR 149 CO 0.02 -0.93 1.94 -1.00 -1.11 0.00 0.00 175.55 174.47 3fyi h PRO 150 N 7.74 0.86 0.00 -1.71 0.13 -1.82 -0.58 132.00 136.61 3fyi h PRO 150 Ca -0.06 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3fyi h PRO 150 Cb 1.02 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.95 3fyi h PRO 150 CO 0.77 0.57 0.00 -0.44 -0.23 0.00 0.00 178.00 178.67 3fyi h ASP 151 N 0.88 0.00 -0.00 1.44 3.45 -1.94 -3.23 116.42 117.02 3fyi h ASP 151 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3fyi h ASP 151 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 3fyi h ASP 151 CO -0.12 0.00 -0.07 -0.62 -1.57 0.00 0.00 179.24 176.87 3fyi n GLU 152 N -2.95 1.65 -3.82 3.56 -0.58 -0.59 -4.99 120.64 112.92 3fyi n GLU 152 Ca 0.00 -0.53 -0.30 0.00 -0.42 0.00 0.00 57.16 55.91 3fyi n GLU 152 Cb 0.24 -0.97 -0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3fyi n GLU 152 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3fyi n GLU 153 N -0.18 -3.95 -4.16 3.49 1.02 -0.33 -4.97 120.64 111.55 3fyi n GLU 153 Ca 0.02 0.48 -0.35 0.00 -0.02 0.00 0.00 57.16 57.29 3fyi n GLU 153 Cb 0.11 -5.25 -0.10 0.00 -0.02 0.00 0.00 31.44 26.18 3fyi n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3fyi s ILE 154 N -3.16 4.60 0.02 -3.67 1.01 -1.10 -4.98 121.20 113.91 3fyi s ILE 154 Ca 0.60 -0.12 -0.07 0.00 0.00 0.00 0.00 60.65 61.07 3fyi s ILE 154 Cb -0.32 -3.01 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 3fyi s ILE 154 CO 0.74 0.53 0.13 -0.94 0.00 0.00 0.00 174.94 175.40 3fyi s SER 155 N -0.19 0.07 0.08 3.58 1.04 -1.26 0.80 113.70 117.83 3fyi s SER 155 Ca 0.07 -0.32 -0.27 0.00 0.48 0.00 0.00 55.95 55.91 3fyi s SER 155 Cb -0.12 0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.29 3fyi s SER 155 CO 0.02 -0.42 0.90 0.72 0.98 0.00 0.00 173.24 175.43 3fyi s PHE 156 N -1.81 -0.26 0.16 5.02 -0.71 -0.41 -5.01 117.98 114.97 3fyi s PHE 156 Ca -0.11 0.03 0.07 0.00 -1.04 0.00 0.00 56.93 55.88 3fyi s PHE 156 Cb -0.05 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 3fyi s PHE 156 CO -0.01 -0.70 0.02 -1.21 -1.34 0.00 0.00 175.22 171.98 3fyi s GLU 157 N -3.25 2.51 -0.17 1.99 8.01 -1.26 -0.48 118.70 126.05 3fyi s GLU 157 Ca 0.08 -1.04 -0.02 0.00 0.01 0.00 0.00 54.97 54.01 3fyi s GLU 157 Cb -0.01 -2.43 0.05 0.00 -4.31 0.00 0.00 34.13 27.43 3fyi s GLU 157 CO -0.04 0.47 -0.00 0.45 0.01 0.00 0.00 175.26 176.15 3fyi s SER 158 N -2.91 2.73 0.11 -0.19 0.15 0.81 -4.64 113.70 109.75 3fyi s SER 158 Ca 0.28 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 56.33 3fyi s SER 158 Cb -0.10 -0.71 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 3fyi s SER 158 CO 0.19 -0.24 -0.11 -0.31 1.20 0.00 0.00 173.24 173.97 3fyi s TYR 159 N 1.77 2.70 0.31 3.44 1.51 -1.26 -2.23 117.35 123.59 3fyi s TYR 159 Ca 0.00 -0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 3fyi s TYR 159 Cb -0.16 -1.42 -0.12 0.00 -0.11 0.00 0.00 41.96 40.16 3fyi s TYR 159 CO -0.07 0.42 1.55 -0.12 -1.11 0.00 0.00 175.55 176.21 3fyi n MET 160 N 0.72 2.61 -2.09 -0.62 0.00 -1.26 -0.41 117.12 116.08 3fyi n MET 160 Ca -0.14 0.93 -0.43 0.00 -0.00 0.00 0.00 57.70 58.06 3fyi n MET 160 Cb 0.52 -2.68 -0.03 0.00 0.00 0.00 0.00 33.22 31.04 3fyi n MET 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 3fyi s ILE 161 N -0.27 3.70 0.00 1.12 1.01 -0.79 -1.41 121.20 124.55 3fyi s ILE 161 Ca 0.62 0.83 0.00 0.00 0.00 0.00 0.00 60.65 62.10 3fyi s ILE 161 Cb -0.51 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.37 3fyi s ILE 161 CO 0.52 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.93 3fyi n GLY 162 N 4.24 0.34 3.71 6.18 0.00 -1.26 -4.67 105.19 113.72 3fyi n GLY 162 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3fyi n GLY 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fyi s SER 163 N -2.03 3.48 0.54 1.61 1.04 -0.50 -0.40 113.70 117.43 3fyi s SER 163 Ca 0.00 1.77 0.32 0.00 0.48 0.00 0.00 55.95 58.53 3fyi s SER 163 Cb 0.00 -2.40 1.49 0.00 0.10 0.00 0.00 66.02 65.21 3fyi s SER 163 CO 0.00 -2.68 1.87 -0.65 0.98 0.00 0.00 173.24 172.76 3fyi h PRO 164 N -1.57 0.01 -0.51 4.02 0.11 -1.87 -1.22 132.00 130.97 3fyi h PRO 164 Ca -0.47 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3fyi h PRO 164 Cb 1.27 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3fyi h PRO 164 CO 0.50 0.01 0.34 0.00 -0.21 0.00 0.00 178.00 178.64 3fyi h ALA 165 N 1.52 1.74 -0.68 -0.75 0.00 -1.89 -1.87 119.26 117.33 3fyi h ALA 165 Ca 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3fyi h ALA 165 Cb 1.83 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3fyi h ALA 165 CO -0.01 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.69 3fyi n THR 166 N -4.47 1.40 -0.25 0.00 -2.24 -0.65 -4.92 114.28 103.14 3fyi n THR 166 Ca 0.06 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 3fyi n THR 166 Cb 0.13 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3fyi n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fyi n GLY 167 N 1.37 0.74 0.00 3.38 0.00 -0.70 -4.81 105.19 105.18 3fyi n GLY 167 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3fyi n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyi n GLY 168 N -2.12 3.16 2.77 -0.02 0.00 -0.55 -4.93 105.19 103.50 3fyi n GLY 168 Ca 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 43.94 3fyi n GLY 168 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fyi n ASP 169 N -0.62 0.65 -0.69 1.61 3.85 -0.97 -3.08 116.55 117.29 3fyi n ASP 169 Ca 0.00 -2.17 -0.08 0.00 -0.71 0.00 0.00 54.79 51.83 3fyi n ASP 169 Cb 0.00 -0.13 -0.03 0.00 -1.35 0.00 0.00 41.12 39.61 3fyi n ASP 169 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3fyi n ASN 170 N -0.77 -3.69 -4.23 -1.12 3.02 0.46 -4.96 115.26 103.97 3fyi n ASN 170 Ca 0.01 0.15 -0.14 0.00 -0.03 0.00 0.00 54.58 54.56 3fyi n ASN 170 Cb 0.82 -2.18 -0.10 0.00 -0.61 0.00 0.00 39.78 37.71 3fyi n ASN 170 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fyi s ARG 171 N -3.13 1.01 0.46 3.52 1.70 -1.26 -5.02 118.95 116.23 3fyi s ARG 171 Ca 0.00 -1.40 -0.23 0.00 -0.47 0.00 0.00 55.73 53.63 3fyi s ARG 171 Cb 0.00 -0.58 -0.07 0.00 -0.57 0.00 0.00 34.95 33.73 3fyi s ARG 171 CO 0.00 0.07 1.21 1.41 -1.08 0.00 0.00 175.30 176.91 3fyi s MET 172 N -3.61 3.72 0.18 3.89 -2.45 -1.26 -4.89 119.30 114.87 3fyi s MET 172 Ca 0.15 1.90 -0.23 0.00 -1.25 0.00 0.00 55.69 56.25 3fyi s MET 172 Cb 0.02 -2.46 0.06 0.00 1.25 0.00 0.00 34.83 33.70 3fyi s MET 172 CO 0.00 -0.62 0.73 -1.54 1.05 0.00 0.00 175.02 174.64 3fyi s SER 173 N -1.19 -0.38 0.23 1.11 1.04 -1.26 -4.99 113.70 108.26 3fyi s SER 173 Ca 0.63 -0.26 -0.06 0.00 0.48 0.00 0.00 55.95 56.74 3fyi s SER 173 Cb -0.32 0.60 0.40 0.00 0.10 0.00 0.00 66.02 66.80 3fyi s SER 173 CO 0.39 -1.04 1.73 -0.65 0.98 0.00 0.00 173.24 174.65 3fyi h PRO 174 N 2.00 0.40 -0.54 4.02 0.11 -1.99 -0.22 132.00 135.79 3fyi h PRO 174 Ca -0.26 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.88 3fyi h PRO 174 Cb 1.27 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3fyi h PRO 174 CO 0.30 0.27 0.27 1.49 -0.21 0.00 0.00 178.00 180.12 3fyi h GLU 175 N 0.41 0.50 -0.54 1.05 4.57 -1.99 -0.71 114.58 117.87 3fyi h GLU 175 Ca 0.38 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.48 3fyi h GLU 175 Cb 0.55 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3fyi h GLU 175 CO -0.38 0.33 0.16 0.28 -1.18 0.00 0.00 179.01 178.22 3fyi h VAL 176 N 0.51 1.24 -0.80 0.32 2.07 -1.72 -1.42 116.25 116.45 3fyi h VAL 176 Ca 0.24 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3fyi h VAL 176 Cb 0.16 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 3fyi h VAL 176 CO -0.18 0.30 0.44 -0.08 0.02 0.00 0.00 177.57 178.07 3fyi h GLU 177 N 0.75 1.12 -0.78 1.57 4.81 -0.76 -0.51 114.58 120.78 3fyi h GLU 177 Ca 0.17 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3fyi h GLU 177 Cb 0.29 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3fyi h GLU 177 CO -0.00 0.82 0.50 0.37 -0.73 0.00 0.00 179.01 179.97 3fyi h GLN 178 N 1.11 1.03 -0.39 1.92 5.75 -0.90 -0.91 115.11 122.72 3fyi h GLN 178 Ca 0.28 -0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.59 3fyi h GLN 178 Cb 0.03 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 3fyi h GLN 178 CO -0.05 0.70 -0.24 1.96 -2.65 0.00 0.00 178.83 178.55 3fyi h GLN 179 N 1.06 0.79 -0.08 1.69 4.20 -0.84 -0.81 115.11 121.12 3fyi h GLN 179 Ca 0.28 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3fyi h GLN 179 Cb -0.10 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 3fyi h GLN 179 CO -0.06 0.95 0.04 -0.07 -0.67 0.00 0.00 178.83 179.02 3fyi h LEU 180 N 0.69 0.09 -0.10 1.46 3.38 -0.67 -2.07 115.31 118.10 3fyi h LEU 180 Ca 0.09 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3fyi h LEU 180 Cb 0.76 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3fyi h LEU 180 CO 0.06 0.13 -0.09 0.40 0.09 0.00 0.00 178.44 179.03 3fyi h ILE 181 N 0.05 0.74 -0.53 1.22 2.04 -1.08 0.93 117.51 120.88 3fyi h ILE 181 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.02 3fyi h ILE 181 Cb 0.05 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3fyi h ILE 181 CO -0.00 0.00 0.37 -0.33 0.00 0.00 0.00 178.15 178.19 3fyi h GLU 182 N -0.11 0.11 -0.01 2.37 5.08 -1.03 -0.84 114.58 120.16 3fyi h GLU 182 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3fyi h GLU 182 Cb 0.21 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3fyi h GLU 182 CO -0.16 0.08 -0.04 0.00 -1.00 0.00 0.00 179.01 177.88 3fyi n ALA 183 N -2.60 2.67 -0.15 3.43 0.00 -0.79 -4.91 120.51 118.17 3fyi n ALA 183 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3fyi n ALA 183 Cb 0.52 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3fyi n ALA 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyi n GLY 184 N 1.17 0.91 0.00 0.00 0.00 -0.32 -5.08 105.19 101.87 3fyi n GLY 184 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3fyi n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fyi n TYR 185 N -2.15 -0.02 -4.26 1.61 4.01 0.28 -5.00 117.16 111.62 3fyi n TYR 185 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 3fyi n TYR 185 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 3fyi n TYR 185 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3fyi s SER 186 N 0.07 1.24 0.51 7.72 1.04 -1.26 -3.56 113.70 119.46 3fyi s SER 186 Ca 0.00 -1.64 0.27 0.00 0.48 0.00 0.00 55.95 55.06 3fyi s SER 186 Cb 0.00 0.50 1.38 0.00 0.10 0.00 0.00 66.02 67.99 3fyi s SER 186 CO 0.00 -0.99 1.89 -0.09 0.98 0.00 0.00 173.24 175.04 3fyi h ARG 187 N 2.28 0.10 0.00 4.02 2.43 -1.94 -2.18 114.38 119.08 3fyi h ARG 187 Ca -0.29 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 3fyi h ARG 187 Cb 1.24 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3fyi h ARG 187 CO 0.42 0.06 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.48 3fyi h ASP 188 N 0.10 0.00 -0.26 -3.80 3.32 -2.00 -2.59 116.42 111.18 3fyi h ASP 188 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3fyi h ASP 188 Cb 1.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.05 3fyi h ASP 188 CO -0.05 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 176.88 3fyi n GLU 189 N -3.16 1.86 -1.78 3.56 4.71 -0.82 -4.94 120.64 120.07 3fyi n GLU 189 Ca -0.00 -1.31 -0.41 0.00 -0.01 0.00 0.00 57.16 55.43 3fyi n GLU 189 Cb 0.26 -1.37 -0.02 0.00 -1.01 0.00 0.00 31.44 29.30 3fyi n GLU 189 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3fyi s PHE 190 N -1.66 2.76 0.00 -0.32 5.36 -0.98 -1.36 117.98 121.78 3fyi s PHE 190 Ca 0.31 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 3fyi s PHE 190 Cb 0.17 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 3fyi s PHE 190 CO 0.24 -3.62 0.00 1.28 -1.46 0.00 0.00 175.22 171.66 3fyi n LEU 191 N 2.26 0.00 -0.06 6.12 4.77 -1.26 -4.80 117.00 124.02 3fyi n LEU 191 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 3fyi n LEU 191 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 3fyi n LEU 191 CO 0.64 0.00 -0.90 0.18 -1.33 0.00 0.00 177.39 175.98 3fyi n LEU 192 N 0.00 1.89 -4.75 2.23 4.77 -0.61 -4.57 117.00 115.97 3fyi n LEU 192 Ca 0.00 0.05 -0.40 0.00 -0.03 0.00 0.00 56.01 55.62 3fyi n LEU 192 Cb 0.00 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 3fyi n LEU 192 CO 0.00 0.47 0.77 0.00 -1.33 0.00 0.00 177.39 177.29 3fyi s ALA 193 N -2.22 3.38 0.27 -1.18 0.00 -0.46 -4.22 121.76 117.32 3fyi s ALA 193 Ca -0.16 0.82 0.10 0.00 0.00 0.00 0.00 51.96 52.72 3fyi s ALA 193 Cb 0.05 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3fyi s ALA 193 CO 0.24 -0.11 -0.06 0.95 0.00 0.00 0.00 175.76 176.77 3fyi s THR 194 N -0.83 3.15 0.39 0.00 -4.23 -1.26 -1.89 115.64 110.96 3fyi s THR 194 Ca 0.46 -2.07 0.08 0.00 -1.18 0.00 0.00 61.69 58.98 3fyi s THR 194 Cb -0.30 -2.68 0.18 0.00 1.34 0.00 0.00 72.50 71.05 3fyi s THR 194 CO 0.37 -0.38 1.94 -2.24 -0.54 0.00 0.00 174.62 173.77 3fyi h ASP 195 N 2.00 0.32 -4.31 3.99 2.03 -1.02 -3.43 116.42 116.01 3fyi h ASP 195 Ca -0.43 -0.05 -0.46 0.00 -0.73 0.00 0.00 57.03 55.36 3fyi h ASP 195 Cb 1.25 -0.08 -0.21 0.00 -0.83 0.00 0.00 39.33 39.46 3fyi h ASP 195 CO 0.60 0.40 -0.79 0.42 -1.03 0.00 0.00 179.24 178.84 3fyi s THR 196 N -4.93 1.35 0.17 1.15 -4.23 -1.26 -5.02 115.64 102.87 3fyi s THR 196 Ca -0.06 -1.45 0.09 0.00 -1.18 0.00 0.00 61.69 59.08 3fyi s THR 196 Cb 0.16 -1.31 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 3fyi s THR 196 CO 0.74 -0.20 -0.10 0.00 -0.54 0.00 0.00 174.62 174.52 3fyi s ALA 197 N -1.37 2.93 -0.35 3.99 0.00 -1.26 -4.74 121.76 120.96 3fyi s ALA 197 Ca 0.03 -1.44 -0.28 0.00 0.00 0.00 0.00 51.96 50.26 3fyi s ALA 197 Cb -0.09 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.30 3fyi s ALA 197 CO 0.03 0.49 1.03 1.41 0.00 0.00 0.00 175.76 178.72 3fyi s MET 198 N -2.73 3.96 -0.14 0.00 1.75 -0.18 -4.91 119.30 117.05 3fyi s MET 198 Ca 0.24 0.86 -0.06 0.00 -1.25 0.00 0.00 55.69 55.48 3fyi s MET 198 Cb -0.09 -3.77 -0.04 0.00 2.84 0.00 0.00 34.83 33.77 3fyi s MET 198 CO 0.15 -0.96 0.07 0.08 -0.65 0.00 0.00 175.02 173.70 3fyi s VAL 199 N 3.68 4.86 0.04 10.11 1.01 -1.26 -0.99 120.40 137.85 3fyi s VAL 199 Ca 0.43 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 3fyi s VAL 199 Cb -0.12 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3fyi s VAL 199 CO 0.18 0.54 0.10 0.68 0.00 0.00 0.00 175.10 176.60 3fyi s VAL 200 N -0.33 0.13 0.24 2.92 -7.23 -0.45 -4.97 120.40 110.71 3fyi s VAL 200 Ca 0.09 -1.10 -0.23 0.00 -1.81 0.00 0.00 61.98 58.93 3fyi s VAL 200 Cb -0.12 -0.91 -0.09 0.00 0.56 0.00 0.00 36.38 35.83 3fyi s VAL 200 CO 0.02 -0.61 0.80 -2.16 -0.31 0.00 0.00 175.10 172.84 3fyi s PRO 201 N -2.64 4.42 0.60 4.82 0.04 -1.26 -1.15 135.00 139.83 3fyi s PRO 201 Ca -0.05 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.86 3fyi s PRO 201 Cb -0.01 -2.94 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 3fyi s PRO 201 CO -0.05 0.40 1.27 0.54 0.04 0.00 0.00 177.00 179.20 3fyi s VAL 202 N -1.47 2.33 -1.55 -0.36 0.11 0.60 -3.61 120.40 116.45 3fyi s VAL 202 Ca 0.43 0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.67 3fyi s VAL 202 Cb -0.19 -3.09 0.01 0.00 -1.53 0.00 0.00 36.38 31.58 3fyi s VAL 202 CO 0.23 -0.03 0.30 0.59 -3.33 0.00 0.00 175.10 172.86 3fyi n ASN 203 N -1.54 -5.52 -4.26 3.54 3.02 0.13 -4.83 115.26 105.81 3fyi n ASN 203 Ca 0.14 -0.14 -0.23 0.00 -0.03 0.00 0.00 54.58 54.32 3fyi n ASN 203 Cb 0.48 -4.54 -0.13 0.00 -0.61 0.00 0.00 39.78 34.99 3fyi n ASN 203 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fyi s LYS 204 N -5.42 1.08 -0.47 3.52 -0.14 -1.24 -5.00 119.74 112.07 3fyi s LYS 204 Ca 0.17 -1.09 -0.29 0.00 -1.36 0.00 0.00 55.97 53.40 3fyi s LYS 204 Cb -0.08 -1.28 0.03 0.00 -1.68 0.00 0.00 37.83 34.82 3fyi s LYS 204 CO 0.21 0.30 1.13 0.99 -0.76 0.00 0.00 175.35 177.22 3fyi s THR 205 N -1.14 4.22 -0.24 2.17 2.01 -1.26 -4.14 115.64 117.26 3fyi s THR 205 Ca 0.05 1.23 -0.10 0.00 0.31 0.00 0.00 61.69 63.18 3fyi s THR 205 Cb -0.10 -4.60 -0.05 0.00 0.01 0.00 0.00 72.50 67.76 3fyi s THR 205 CO 0.04 -1.00 0.15 -0.69 -0.69 0.00 0.00 174.62 172.43 3fyi s VAL 206 N 4.43 5.25 -0.20 3.82 1.01 0.42 -0.47 120.40 134.65 3fyi s VAL 206 Ca 0.48 0.14 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 3fyi s VAL 206 Cb -0.07 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.83 3fyi s VAL 206 CO 0.31 0.34 0.01 -0.69 0.00 0.00 0.00 175.10 175.08 3fyi s VAL 207 N 1.12 4.08 -0.18 2.92 1.01 -0.46 -1.11 120.40 127.77 3fyi s VAL 207 Ca 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 3fyi s VAL 207 Cb -0.14 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 3fyi s VAL 207 CO 0.05 0.42 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 3fyi s VAL 208 N 1.02 3.91 -0.25 2.92 1.01 -0.29 -1.73 120.40 126.99 3fyi s VAL 208 Ca 0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 61.98 61.57 3fyi s VAL 208 Cb -0.14 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 3fyi s VAL 208 CO 0.02 0.46 0.14 -1.10 0.00 0.00 0.00 175.10 174.61 3fyi s GLN 209 N 0.73 3.93 -0.13 2.72 -0.21 0.50 -1.48 119.66 125.71 3fyi s GLN 209 Ca -0.01 -0.34 0.01 0.00 0.02 0.00 0.00 55.36 55.04 3fyi s GLN 209 Cb -0.14 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.38 3fyi s GLN 209 CO 0.02 -0.03 -0.16 0.08 -2.12 0.00 0.00 175.29 173.08 3fyi s VAL 210 N 1.29 2.70 0.19 1.09 1.01 0.17 0.51 120.40 127.36 3fyi s VAL 210 Ca 0.06 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 3fyi s VAL 210 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 3fyi s VAL 210 CO 0.06 0.53 0.21 0.28 0.00 0.00 0.00 175.10 176.18 3fyi s THR 211 N 0.51 0.03 0.10 3.92 -1.32 -0.53 -1.57 115.64 116.76 3fyi s THR 211 Ca -0.11 -1.77 0.09 0.00 -1.21 0.00 0.00 61.69 58.69 3fyi s THR 211 Cb -0.16 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.52 3fyi s THR 211 CO 0.04 -0.12 -0.21 -0.83 -2.21 0.00 0.00 174.62 171.29 3fyi s GLY 212 N -3.08 1.61 -0.04 6.08 0.00 -1.16 -1.31 107.32 109.41 3fyi s GLY 212 Ca 0.30 -1.34 0.18 0.00 0.00 0.00 0.00 44.72 43.85 3fyi s GLY 212 CO 0.08 -1.30 0.53 0.00 0.00 0.00 0.00 173.10 172.41 3fyi n ALA 213 N 1.08 1.91 0.12 3.20 0.00 -0.15 -3.37 120.51 123.29 3fyi n ALA 213 Ca -0.16 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3fyi n ALA 213 Cb 0.53 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3fyi n ALA 213 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fyi n ASP 214 N -2.76 -0.05 -4.53 0.00 5.68 -1.26 -4.99 116.55 108.64 3fyi n ASP 214 Ca -0.16 0.41 -0.31 0.00 -0.50 0.00 0.00 54.79 54.23 3fyi n ASP 214 Cb 0.91 0.31 -0.08 0.00 -1.14 0.00 0.00 41.12 41.12 3fyi n ASP 214 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3fyi s VAL 215 N -2.00 0.94 0.03 2.12 -7.23 -1.26 -4.92 120.40 108.08 3fyi s VAL 215 Ca 0.00 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.87 3fyi s VAL 215 Cb 0.00 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 3fyi s VAL 215 CO 0.00 0.00 1.15 -0.63 -0.31 0.00 0.00 175.10 175.31 3fyi s ILE 216 N -2.99 4.25 0.39 -0.62 1.01 -1.26 -4.47 121.20 117.51 3fyi s ILE 216 Ca 0.12 1.61 0.01 0.00 0.00 0.00 0.00 60.65 62.38 3fyi s ILE 216 Cb 0.02 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.46 3fyi s ILE 216 CO 0.07 0.11 0.05 1.41 0.00 0.00 0.00 174.94 176.57 3fyi n HIS 217 N 4.12 0.61 -3.71 3.97 8.25 -1.02 -4.40 115.22 123.04 3fyi n HIS 217 Ca 0.09 -1.86 -0.12 0.00 -0.26 0.00 0.00 57.72 55.57 3fyi n HIS 217 Cb 0.47 -0.27 -0.12 0.00 1.12 0.00 0.00 29.99 31.19 3fyi n HIS 217 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3fyi s SER 218 N -3.15 -0.23 -0.20 0.41 0.15 -1.26 0.58 113.70 110.00 3fyi s SER 218 Ca 0.04 0.65 -0.10 0.00 0.70 0.00 0.00 55.95 57.24 3fyi s SER 218 Cb -0.00 0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 64.86 3fyi s SER 218 CO 0.02 -0.19 0.12 0.86 1.20 0.00 0.00 173.24 175.26 3fyi s TRP 219 N 1.56 3.37 -0.01 3.44 -0.00 -0.59 -1.35 118.94 125.37 3fyi s TRP 219 Ca -0.07 0.27 -0.16 0.00 -0.00 0.00 0.00 56.10 56.14 3fyi s TRP 219 Cb -0.10 -2.15 0.03 0.00 -0.00 0.00 0.00 33.47 31.24 3fyi s TRP 219 CO -0.10 0.25 0.34 -0.08 -0.00 0.00 0.00 176.95 177.36 3fyi s THR 220 N 0.42 0.06 -0.25 5.86 -1.32 -1.26 -1.34 115.64 117.81 3fyi s THR 220 Ca 0.07 -0.46 -0.03 0.00 -1.21 0.00 0.00 61.69 60.05 3fyi s THR 220 Cb -0.11 -0.71 0.08 0.00 -1.51 0.00 0.00 72.50 70.25 3fyi s THR 220 CO -0.01 -0.26 0.10 -0.69 -2.21 0.00 0.00 174.62 171.55 3fyi s VAL 221 N -1.55 0.19 0.30 5.08 1.01 -0.92 -3.89 120.40 120.62 3fyi s VAL 221 Ca -0.12 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.23 3fyi s VAL 221 Cb -0.04 -1.01 0.30 0.00 0.00 0.00 0.00 36.38 35.62 3fyi s VAL 221 CO 0.03 -0.53 1.71 -0.65 0.00 0.00 0.00 175.10 175.66 3fyi h PRO 222 N 8.33 0.46 0.00 2.72 0.11 -1.80 -0.66 132.00 141.16 3fyi h PRO 222 Ca -0.17 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 3fyi h PRO 222 Cb 1.06 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3fyi h PRO 222 CO 0.39 0.30 -0.05 0.00 -0.21 0.00 0.00 178.00 178.44 3fyi h ALA 223 N 1.72 1.23 0.00 -0.75 0.00 -1.85 -2.17 119.26 117.44 3fyi h ALA 223 Ca 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.46 3fyi h ALA 223 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3fyi h ALA 223 CO -0.51 0.06 -1.12 1.19 0.00 0.00 0.00 179.25 178.87 3fyi n PHE 224 N -3.48 0.10 -2.47 0.00 3.72 -0.29 -1.05 117.46 113.99 3fyi n PHE 224 Ca -0.02 0.03 -0.09 0.00 -0.05 0.00 0.00 57.45 57.32 3fyi n PHE 224 Cb 0.17 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.45 3fyi n PHE 224 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fyi n GLY 225 N 1.41 0.13 3.28 1.37 0.00 -0.82 -3.65 105.19 106.92 3fyi n GLY 225 Ca 0.02 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 3fyi n GLY 225 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fyi s VAL 226 N -2.70 1.78 -0.28 1.61 -7.23 -1.20 -4.80 120.40 107.57 3fyi s VAL 226 Ca 0.09 -1.39 -0.19 0.00 -1.81 0.00 0.00 61.98 58.69 3fyi s VAL 226 Cb -0.04 -1.57 0.09 0.00 0.56 0.00 0.00 36.38 35.42 3fyi s VAL 226 CO 0.12 0.12 0.75 -0.75 -0.31 0.00 0.00 175.10 175.02 3fyi s LYS 227 N -1.52 0.69 -0.18 4.82 2.20 -1.26 -2.16 119.74 122.34 3fyi s LYS 227 Ca 0.08 1.08 -0.07 0.00 -0.36 0.00 0.00 55.97 56.70 3fyi s LYS 227 Cb -0.09 0.20 0.07 0.00 -1.51 0.00 0.00 37.83 36.50 3fyi s LYS 227 CO 0.03 -0.13 0.39 -1.14 -0.36 0.00 0.00 175.35 174.14 3fyi s GLN 228 N 1.25 0.32 0.47 4.03 2.00 -0.45 -4.99 119.66 122.28 3fyi s GLN 228 Ca -0.07 0.90 -0.25 0.00 -2.00 0.00 0.00 55.36 53.94 3fyi s GLN 228 Cb -0.05 0.15 -0.08 0.00 0.80 0.00 0.00 33.01 33.83 3fyi s GLN 228 CO -0.14 -0.22 1.43 -0.51 -0.50 0.00 0.00 175.29 175.35 3fyi s ASP 229 N 2.13 5.77 -0.85 6.67 -0.00 -1.26 -1.54 116.67 127.58 3fyi s ASP 229 Ca -0.04 2.92 -0.09 0.00 -0.00 0.00 0.00 52.55 55.34 3fyi s ASP 229 Cb -0.11 -2.65 0.22 0.00 -0.00 0.00 0.00 42.92 40.38 3fyi s ASP 229 CO -0.12 -1.25 0.76 0.00 -0.00 0.00 0.00 175.17 174.56 3fyi s ALA 230 N -1.21 4.12 -0.21 5.23 0.00 0.20 -4.75 121.76 125.14 3fyi s ALA 230 Ca 0.63 -3.49 -0.17 0.00 0.00 0.00 0.00 51.96 48.93 3fyi s ALA 230 Cb -0.44 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3fyi s ALA 230 CO 0.56 -2.21 0.45 0.08 0.00 0.00 0.00 175.76 174.64 3fyi s VAL 231 N -0.39 5.15 0.13 0.00 1.01 -1.26 -2.45 120.40 122.59 3fyi s VAL 231 Ca 0.22 0.79 -0.35 0.00 0.00 0.00 0.00 61.98 62.64 3fyi s VAL 231 Cb -0.12 -3.77 -0.15 0.00 0.00 0.00 0.00 36.38 32.34 3fyi s VAL 231 CO -0.08 0.20 1.46 -2.65 0.00 0.00 0.00 175.10 174.03 3fyi n PRO 232 N 4.75 1.68 -0.24 2.72 -0.02 -1.22 -1.75 135.00 140.92 3fyi n PRO 232 Ca -0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3fyi n PRO 232 Cb 0.51 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3fyi n PRO 232 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fyi n GLY 233 N 2.95 1.18 3.18 -1.23 0.00 -1.26 -4.93 105.19 105.08 3fyi n GLY 233 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3fyi n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fyi s ARG 234 N -0.48 1.23 -0.25 1.61 0.52 -0.72 -5.12 118.95 115.74 3fyi s ARG 234 Ca 0.00 -0.74 -0.02 0.00 -0.52 0.00 0.00 55.73 54.45 3fyi s ARG 234 Cb 0.00 -1.25 0.02 0.00 0.52 0.00 0.00 34.95 34.24 3fyi s ARG 234 CO 0.00 0.33 -0.05 -1.17 0.02 0.00 0.00 175.30 174.42 3fyi s LEU 235 N -0.83 3.19 0.16 2.53 2.96 -1.26 -4.34 118.68 121.09 3fyi s LEU 235 Ca 0.05 -0.83 0.09 0.00 -0.22 0.00 0.00 54.13 53.22 3fyi s LEU 235 Cb -0.07 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3fyi s LEU 235 CO 0.01 -0.12 -0.16 0.00 -1.32 0.00 0.00 176.35 174.75 3fyi s ALA 236 N 1.34 2.75 0.04 5.97 0.00 -0.61 -4.89 121.76 126.36 3fyi s ALA 236 Ca 0.01 -1.46 0.08 0.00 0.00 0.00 0.00 51.96 50.59 3fyi s ALA 236 Cb -0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3fyi s ALA 236 CO -0.04 0.51 -0.23 -0.65 0.00 0.00 0.00 175.76 175.34 3fyi s GLN 237 N -2.53 1.91 0.17 0.00 -0.21 -1.26 0.42 119.66 118.16 3fyi s GLN 237 Ca 0.21 -1.06 0.02 0.00 0.02 0.00 0.00 55.36 54.56 3fyi s GLN 237 Cb -0.09 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.81 3fyi s GLN 237 CO 0.12 0.52 -0.00 -0.48 -2.12 0.00 0.00 175.29 173.33 3fyi s LEU 238 N -1.29 2.15 0.05 2.90 0.05 -0.55 -5.01 118.68 116.98 3fyi s LEU 238 Ca 0.13 -1.16 0.01 0.00 0.05 0.00 0.00 54.13 53.16 3fyi s LEU 238 Cb -0.10 -0.07 -0.03 0.00 -2.05 0.00 0.00 46.19 43.94 3fyi s LEU 238 CO 0.03 -0.55 -0.06 -1.66 -0.55 0.00 0.00 176.35 173.55 3fyi s TRP 239 N -3.64 0.62 0.10 3.48 1.48 -1.26 -1.14 118.94 118.57 3fyi s TRP 239 Ca 0.23 -0.61 -0.10 0.00 -1.06 0.00 0.00 56.10 54.56 3fyi s TRP 239 Cb 0.06 -0.38 0.01 0.00 -1.16 0.00 0.00 33.47 32.00 3fyi s TRP 239 CO 0.04 -0.14 0.23 -0.59 -4.06 0.00 0.00 176.95 172.43 3fyi s PHE 240 N -1.95 0.08 -0.18 1.66 -0.71 -0.27 -4.95 117.98 111.67 3fyi s PHE 240 Ca -0.06 -0.49 -0.01 0.00 -1.04 0.00 0.00 56.93 55.32 3fyi s PHE 240 Cb -0.06 0.01 0.05 0.00 -1.21 0.00 0.00 43.02 41.80 3fyi s PHE 240 CO -0.01 -0.58 -0.01 0.50 -1.34 0.00 0.00 175.22 173.77 3fyi s ARG 241 N -3.85 1.06 0.15 1.99 3.52 -1.26 -0.44 118.95 120.12 3fyi s ARG 241 Ca 0.05 -0.48 -0.30 0.00 -0.13 0.00 0.00 55.73 54.87 3fyi s ARG 241 Cb 0.04 -2.02 -0.07 0.00 -1.56 0.00 0.00 34.95 31.35 3fyi s ARG 241 CO -0.11 -0.52 1.03 0.00 -0.81 0.00 0.00 175.30 174.88 3fyi s ALA 242 N 1.73 3.31 -1.49 6.12 0.00 -1.26 -4.15 121.76 126.01 3fyi s ALA 242 Ca -0.00 0.69 0.17 0.00 0.00 0.00 0.00 51.96 52.82 3fyi s ALA 242 Cb -0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3fyi s ALA 242 CO -0.07 -0.10 0.88 0.39 0.00 0.00 0.00 175.76 176.85 3fyi n GLU 243 N 2.55 1.60 -3.69 0.00 1.02 0.02 0.22 120.64 122.36 3fyi n GLU 243 Ca 0.02 -0.76 -0.12 0.00 -0.02 0.00 0.00 57.16 56.28 3fyi n GLU 243 Cb 0.48 -1.31 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 3fyi n GLU 243 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3fyi s ARG 244 N -2.05 0.91 0.52 3.49 1.70 -1.26 -4.87 118.95 117.39 3fyi s ARG 244 Ca 0.13 -0.44 -0.18 0.00 -0.47 0.00 0.00 55.73 54.77 3fyi s ARG 244 Cb 0.14 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.85 3fyi s ARG 244 CO 0.46 -0.31 1.02 -1.21 -1.08 0.00 0.00 175.30 174.17 3fyi s GLU 245 N -2.65 3.74 0.00 3.89 2.02 -1.26 -4.84 118.70 119.60 3fyi s GLU 245 Ca -0.04 1.17 0.00 0.00 0.02 0.00 0.00 54.97 56.12 3fyi s GLU 245 Cb -0.00 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.13 3fyi s GLU 245 CO -0.04 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.20 3fyi n GLY 246 N -0.90 -0.18 3.39 -1.39 0.00 -0.42 -4.73 105.19 100.96 3fyi n GLY 246 Ca 0.08 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 3fyi n GLY 246 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fyi s ILE 247 N -2.73 2.98 -0.03 -0.61 1.01 -0.09 -0.79 121.20 120.95 3fyi s ILE 247 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3fyi s ILE 247 Cb 0.00 -2.22 0.03 0.00 0.01 0.00 0.00 42.46 40.28 3fyi s ILE 247 CO 0.00 0.55 0.01 -0.36 0.00 0.00 0.00 174.94 175.14 3fyi s PHE 248 N -0.01 0.24 0.06 3.97 0.08 -0.36 -1.03 117.98 120.93 3fyi s PHE 248 Ca -0.04 0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.10 3fyi s PHE 248 Cb -0.14 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.89 3fyi s PHE 248 CO 0.04 -0.12 -0.05 -0.06 -0.10 0.00 0.00 175.22 174.92 3fyi s PHE 249 N 1.08 2.88 0.34 0.36 0.08 0.35 -0.80 117.98 122.27 3fyi s PHE 249 Ca -0.09 -0.07 0.04 0.00 0.12 0.00 0.00 56.93 56.93 3fyi s PHE 249 Cb -0.13 -1.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 3fyi s PHE 249 CO -0.02 0.43 0.14 0.20 -0.10 0.00 0.00 175.22 175.87 3fyi s GLY 250 N -1.95 2.26 0.01 4.36 0.00 -0.03 -4.18 107.32 107.78 3fyi s GLY 250 Ca 0.21 -1.63 -0.01 0.00 0.00 0.00 0.00 44.72 43.29 3fyi s GLY 250 CO 0.13 -1.69 0.02 1.20 0.00 0.00 0.00 173.10 172.75 3fyi s GLN 251 N -3.77 0.22 0.11 2.90 -0.21 -1.26 -0.88 119.66 116.77 3fyi s GLN 251 Ca 0.32 -0.33 -0.33 0.00 0.02 0.00 0.00 55.36 55.05 3fyi s GLN 251 Cb 0.04 0.09 -0.12 0.00 1.00 0.00 0.00 33.01 34.02 3fyi s GLN 251 CO 0.17 -0.04 1.75 0.00 -2.12 0.00 0.00 175.29 175.05 3fyi n SER 253 N 4.90 2.21 -3.70 0.00 7.64 -0.46 -4.87 113.62 119.34 3fyi n SER 253 Ca 0.18 -3.74 -0.15 0.00 1.01 0.00 0.00 58.87 56.17 3fyi n SER 253 Cb 0.33 -0.57 -0.15 0.00 -1.01 0.00 0.00 64.21 62.81 3fyi n SER 253 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fyi s GLU 254 N -3.20 0.08 0.03 1.43 2.56 -1.26 -4.66 118.70 113.69 3fyi s GLU 254 Ca 0.41 0.51 -0.35 0.00 0.00 0.00 0.00 54.97 55.54 3fyi s GLU 254 Cb 0.38 -0.20 -0.14 0.00 2.00 0.00 0.00 34.13 36.18 3fyi s GLU 254 CO -0.02 -0.24 1.67 -0.11 -0.56 0.00 0.00 175.26 176.00 3fyi n LEU 255 N 4.80 3.01 -0.23 2.70 7.94 -1.26 -4.50 117.00 129.46 3fyi n LEU 255 Ca -0.15 1.05 0.01 0.00 -1.11 0.00 0.00 56.01 55.80 3fyi n LEU 255 Cb 0.51 -1.36 0.01 0.00 0.53 0.00 0.00 43.42 43.11 3fyi n LEU 255 CO 0.10 -0.30 0.28 0.00 -1.11 0.00 0.00 177.39 176.37 3fyi n GLY 257 N -0.10 0.11 0.27 0.00 0.00 -1.26 -4.80 105.19 99.41 3fyi n GLY 257 Ca 0.01 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 43.86 3fyi n GLY 257 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3fyi h ILE 258 N 0.00 1.06 -0.13 -0.61 2.10 -2.03 -2.77 117.51 115.13 3fyi h ILE 258 Ca 0.00 -0.20 -0.06 0.00 1.08 0.00 0.00 64.86 65.68 3fyi h ILE 258 Cb 0.00 0.90 -0.03 0.00 -1.09 0.00 0.00 36.82 36.60 3fyi h ILE 258 CO 0.00 0.07 -0.24 -1.20 -1.08 0.00 0.00 178.15 175.70 3fyi n SER 259 N -4.47 2.23 -0.31 2.19 7.64 -1.26 -4.66 113.62 114.98 3fyi n SER 259 Ca -0.01 -3.65 0.13 0.00 1.01 0.00 0.00 58.87 56.35 3fyi n SER 259 Cb 0.11 -0.55 0.28 0.00 -1.01 0.00 0.00 64.21 63.04 3fyi n SER 259 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 3fyi h HIS 260 N 0.89 0.15 0.00 1.43 6.17 -1.80 0.37 115.15 122.36 3fyi h HIS 260 Ca 0.07 0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.21 3fyi h HIS 260 Cb 1.24 0.08 0.00 0.00 2.52 0.00 0.00 27.41 31.25 3fyi h HIS 260 CO 0.69 -0.31 0.00 0.00 0.71 0.00 0.00 177.93 179.02 3fyi n ALA 261 N -2.89 1.90 -2.07 5.26 0.00 -1.26 -4.01 120.51 117.44 3fyi n ALA 261 Ca 0.21 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.51 3fyi n ALA 261 Cb 0.70 -1.29 0.09 0.00 0.00 0.00 0.00 19.45 18.94 3fyi n ALA 261 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fyi n TYR 262 N -1.39 1.30 -3.14 0.00 4.01 0.12 -4.86 117.16 113.20 3fyi n TYR 262 Ca 0.07 -1.77 -0.22 0.00 -0.16 0.00 0.00 57.90 55.82 3fyi n TYR 262 Cb 0.18 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 38.88 3fyi n TYR 262 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3fyi n MET 263 N -0.67 0.73 -1.45 -0.72 0.00 -1.22 -4.44 117.12 109.35 3fyi n MET 263 Ca 0.26 -3.06 -0.19 0.00 0.00 0.00 0.00 57.70 54.71 3fyi n MET 263 Cb 0.88 -1.26 0.12 0.00 0.00 0.00 0.00 33.22 32.96 3fyi n MET 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3fyi n PRO 264 N 1.37 -0.63 -4.39 3.17 -0.04 -1.26 -3.63 135.00 129.58 3fyi n PRO 264 Ca 0.20 -1.50 -0.24 0.00 -0.04 0.00 0.00 63.50 61.92 3fyi n PRO 264 Cb 0.55 -0.81 -0.17 0.00 -0.04 0.00 0.00 33.50 33.03 3fyi n PRO 264 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fyi s ILE 265 N -2.73 0.99 -0.14 0.52 1.01 -0.06 -4.82 121.20 115.96 3fyi s ILE 265 Ca 0.50 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.80 3fyi s ILE 265 Cb -0.02 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.52 3fyi s ILE 265 CO 0.34 0.33 -0.21 -0.89 0.00 0.00 0.00 174.94 174.51 3fyi s THR 266 N 0.88 2.17 -0.13 2.92 2.01 -1.26 -0.85 115.64 121.39 3fyi s THR 266 Ca -0.11 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 60.96 3fyi s THR 266 Cb -0.15 -1.87 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 3fyi s THR 266 CO 0.01 0.54 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.62 3fyi s VAL 267 N 0.77 2.55 -0.23 3.82 1.01 0.02 -1.02 120.40 127.33 3fyi s VAL 267 Ca -0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 3fyi s VAL 267 Cb -0.16 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3fyi s VAL 267 CO -0.01 0.54 -0.01 -0.54 0.00 0.00 0.00 175.10 175.08 3fyi s LYS 268 N 0.48 3.46 -0.25 2.72 1.02 -0.16 -1.22 119.74 125.79 3fyi s LYS 268 Ca -0.12 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 55.18 3fyi s LYS 268 Cb -0.16 -3.10 -0.05 0.00 -0.52 0.00 0.00 37.83 34.00 3fyi s LYS 268 CO 0.05 -0.19 0.16 0.08 -0.92 0.00 0.00 175.35 174.54 3fyi s VAL 269 N 1.50 5.29 0.33 3.17 1.01 0.03 -1.35 120.40 130.39 3fyi s VAL 269 Ca 0.06 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.23 3fyi s VAL 269 Cb -0.14 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3fyi s VAL 269 CO -0.01 0.32 0.10 0.68 0.00 0.00 0.00 175.10 176.19 3fyi s VAL 270 N 1.26 0.76 0.86 2.92 -7.23 -0.30 -1.30 120.40 117.36 3fyi s VAL 270 Ca 0.07 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.13 3fyi s VAL 270 Cb -0.14 -2.59 0.12 0.00 0.56 0.00 0.00 36.38 34.32 3fyi s VAL 270 CO 0.06 0.00 1.17 -0.94 -0.31 0.00 0.00 175.10 175.08 3fyi s SER 271 N -3.47 3.26 0.36 4.85 1.04 -1.26 -0.29 113.70 118.19 3fyi s SER 271 Ca 0.33 2.25 0.10 0.00 0.48 0.00 0.00 55.95 59.11 3fyi s SER 271 Cb 0.06 -2.57 0.87 0.00 0.10 0.00 0.00 66.02 64.47 3fyi s SER 271 CO 0.15 -2.88 1.86 -0.33 0.98 0.00 0.00 173.24 173.01 3fyi h GLU 272 N -1.44 0.62 -0.05 4.02 5.08 -1.94 -0.44 114.58 120.43 3fyi h GLU 272 Ca -0.44 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 3fyi h GLU 272 Cb 1.28 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 30.40 3fyi h GLU 272 CO 0.44 0.41 -0.46 0.93 -1.00 0.00 0.00 179.01 179.33 3fyi h GLU 273 N 0.64 0.39 -0.83 2.33 5.08 -1.99 -1.47 114.58 118.74 3fyi h GLU 273 Ca 0.46 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3fyi h GLU 273 Cb 0.82 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.12 3fyi h GLU 273 CO -0.21 1.02 0.52 0.00 -1.00 0.00 0.00 179.01 179.34 3fyi h ALA 274 N 0.38 1.36 -0.14 3.43 0.00 -1.87 0.12 119.26 122.55 3fyi h ALA 274 Ca -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fyi h ALA 274 Cb 1.14 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3fyi h ALA 274 CO 0.09 0.57 0.07 -0.92 0.00 0.00 0.00 179.25 179.06 3fyi h TYR 275 N 1.14 0.20 -0.59 0.00 3.20 -1.06 -1.00 116.97 118.86 3fyi h TYR 275 Ca 0.30 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.24 3fyi h TYR 275 Cb -0.09 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.06 3fyi h TYR 275 CO 0.00 0.25 0.26 0.00 -1.64 0.00 0.00 178.16 177.03 3fyi h ALA 276 N 0.93 0.77 -0.60 1.82 0.00 -0.86 0.62 119.26 121.94 3fyi h ALA 276 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3fyi h ALA 276 Cb 0.12 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fyi h ALA 276 CO -0.01 -0.13 0.39 0.00 0.00 0.00 0.00 179.25 179.50 3fyi h ALA 277 N 1.37 0.77 -0.45 0.00 0.00 -0.49 0.49 119.26 120.95 3fyi h ALA 277 Ca 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3fyi h ALA 277 Cb 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fyi h ALA 277 CO -0.25 0.22 0.25 2.35 0.00 0.00 0.00 179.25 181.81 3fyi h TRP 278 N 0.82 0.62 -0.36 0.00 7.01 -0.82 -0.97 115.95 122.25 3fyi h TRP 278 Ca 0.22 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.25 3fyi h TRP 278 Cb -0.07 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.75 3fyi h TRP 278 CO -0.03 0.47 0.11 -0.07 -2.79 0.00 0.00 178.44 176.13 3fyi h LEU 279 N 0.59 0.09 -0.97 0.65 3.38 -0.20 -2.79 115.31 116.06 3fyi h LEU 279 Ca 0.16 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3fyi h LEU 279 Cb 0.05 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3fyi h LEU 279 CO -0.03 0.09 0.16 -0.08 0.09 0.00 0.00 178.44 178.68 3fyi h GLU 280 N 0.25 0.91 -0.38 1.13 4.57 -0.70 -1.78 114.58 118.58 3fyi h GLU 280 Ca 0.17 -0.18 0.11 0.00 -1.18 0.00 0.00 59.36 58.27 3fyi h GLU 280 Cb 0.16 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3fyi h GLU 280 CO -0.19 0.80 0.33 1.96 -1.18 0.00 0.00 179.01 180.74 3fyi h GLN 281 N 0.88 0.00 0.00 1.92 4.20 -0.91 -1.39 115.11 119.82 3fyi h GLN 281 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3fyi h GLN 281 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3fyi h GLN 281 CO -0.00 0.00 -0.62 0.72 -0.67 0.00 0.00 178.83 178.25 3fyi n HIS 282 N -4.06 0.12 -2.49 2.96 8.25 -0.69 -4.91 115.22 114.39 3fyi n HIS 282 Ca 0.06 0.03 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 3fyi n HIS 282 Cb 0.51 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.28 3fyi n HIS 282 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3fyi s HIS 283 N -3.05 3.20 -0.24 4.41 5.04 -0.52 -5.01 115.29 119.12 3fyi s HIS 283 Ca 0.09 1.25 -0.11 0.00 -1.54 0.00 0.00 55.06 54.76 3fyi s HIS 283 Cb 0.16 -3.39 -0.05 0.00 0.04 0.00 0.00 32.58 29.34 3fyi s HIS 283 CO 0.73 -1.17 0.18 -1.01 -2.34 0.00 0.00 174.74 171.12 3fyi s HIS 284 N 2.35 3.30 -2.84 3.88 0.09 -1.26 -5.03 115.29 115.78 3fyi s HIS 284 Ca 0.54 0.23 0.25 0.00 -0.00 0.00 0.00 55.06 56.08 3fyi s HIS 284 Cb -0.23 -2.30 0.46 0.00 -0.00 0.00 0.00 32.58 30.51 3fyi s HIS 284 CO 0.20 0.02 1.41 0.72 -0.00 0.00 0.00 174.74 177.10