#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fyi n THR 18 N 0.00 0.52 1.02 4.37 5.66 -1.26 -4.36 114.28 120.23 3fyi n THR 18 Ca 0.00 -0.76 0.04 0.00 -3.05 0.00 0.00 64.05 60.29 3fyi n THR 18 Cb 0.00 0.76 0.13 0.00 -1.55 0.00 0.00 70.33 69.67 3fyi n THR 18 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3fyi n ARG 19 N -0.14 1.73 0.05 1.09 1.74 -1.26 -3.72 116.66 116.16 3fyi n ARG 19 Ca 0.01 -1.04 -0.20 0.00 -0.77 0.00 0.00 57.85 55.85 3fyi n ARG 19 Cb 0.16 -1.27 -0.14 0.00 -1.02 0.00 0.00 32.46 30.19 3fyi n ARG 19 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3fyi h TRP 20 N 1.65 0.59 0.00 -1.55 4.06 -1.99 -3.33 115.95 115.39 3fyi h TRP 20 Ca 0.00 -0.42 0.00 0.00 2.06 0.00 0.00 58.89 60.53 3fyi h TRP 20 Cb 0.44 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.57 3fyi h TRP 20 CO 0.21 1.31 0.00 0.74 -3.56 0.00 0.00 178.44 177.14 3fyi h PHE 21 N -0.29 0.00 -0.27 0.49 0.04 -1.88 -3.06 116.94 111.97 3fyi h PHE 21 Ca -0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.63 3fyi h PHE 21 Cb 1.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.79 3fyi h PHE 21 CO 0.18 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 176.56 3fyi n MET 22 N -2.98 2.28 -2.53 1.51 2.81 -1.26 -4.97 117.12 111.98 3fyi n MET 22 Ca 0.04 -1.91 -0.35 0.00 -1.81 0.00 0.00 57.70 53.67 3fyi n MET 22 Cb 0.50 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.50 3fyi n MET 22 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3fyi s SER 23 N -1.60 6.47 0.00 7.83 0.15 -1.16 -4.97 113.70 120.43 3fyi s SER 23 Ca 0.36 1.99 0.06 0.00 0.70 0.00 0.00 55.95 59.06 3fyi s SER 23 Cb 0.21 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.92 3fyi s SER 23 CO 0.30 -0.69 0.41 0.35 1.20 0.00 0.00 173.24 174.81 3fyi n THR 24 N -0.63 0.00 -2.21 6.45 -2.24 -1.26 -4.69 114.28 109.70 3fyi n THR 24 Ca 0.08 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 3fyi n THR 24 Cb 0.51 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 3fyi n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3fyi s ASN 25 N -1.23 6.87 0.41 3.42 3.84 -1.26 -4.69 114.94 122.30 3fyi s ASN 25 Ca 0.04 2.34 0.15 0.00 0.21 0.00 0.00 52.86 55.60 3fyi s ASN 25 Cb 0.05 -2.60 1.02 0.00 -0.55 0.00 0.00 41.25 39.18 3fyi s ASN 25 CO 0.19 -0.59 1.89 1.12 -2.79 0.00 0.00 177.10 176.92 3fyi h HIS 26 N 6.20 0.56 -0.30 0.43 2.07 -1.92 -1.32 115.15 120.86 3fyi h HIS 26 Ca -0.43 0.02 -0.07 0.00 -2.85 0.00 0.00 60.37 57.03 3fyi h HIS 26 Cb 1.21 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 31.01 3fyi h HIS 26 CO 0.64 0.19 -0.10 0.87 -3.07 0.00 0.00 177.93 176.46 3fyi h LYS 27 N 0.46 0.60 -0.41 5.12 1.57 -1.85 0.88 116.57 122.94 3fyi h LYS 27 Ca 0.42 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3fyi h LYS 27 Cb 0.95 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 3fyi h LYS 27 CO -0.15 0.81 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.95 3fyi h ASP 28 N 0.37 0.75 -0.14 0.86 3.32 -1.72 -2.07 116.42 117.79 3fyi h ASP 28 Ca 0.07 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3fyi h ASP 28 Cb 0.61 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3fyi h ASP 28 CO 0.04 0.91 -0.14 0.40 -1.72 0.00 0.00 179.24 178.72 3fyi h ILE 29 N 0.68 1.35 -0.64 0.35 2.04 -1.18 -2.06 117.51 118.04 3fyi h ILE 29 Ca 0.11 -1.31 0.13 0.00 1.00 0.00 0.00 64.86 64.79 3fyi h ILE 29 Cb 0.63 1.89 -0.12 0.00 -0.74 0.00 0.00 36.82 38.48 3fyi h ILE 29 CO 0.04 0.38 -0.16 1.23 0.00 0.00 0.00 178.15 179.65 3fyi h GLY 30 N -0.03 0.46 1.01 5.37 0.00 -0.78 -1.17 103.07 107.94 3fyi h GLY 30 Ca 0.02 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 3fyi h GLY 30 CO 0.04 -0.24 0.24 -2.08 0.00 0.00 0.00 176.54 174.49 3fyi h VAL 31 N -0.00 1.24 -0.41 4.60 2.07 -1.28 -1.72 116.25 120.75 3fyi h VAL 31 Ca 0.31 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3fyi h VAL 31 Cb 0.47 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3fyi h VAL 31 CO -0.66 0.31 0.21 -0.07 0.02 0.00 0.00 177.57 177.37 3fyi h LEU 32 N 0.92 0.52 -0.76 2.57 3.38 -0.86 -1.62 115.31 119.47 3fyi h LEU 32 Ca 0.21 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3fyi h LEU 32 Cb 0.23 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3fyi h LEU 32 CO -0.01 0.48 0.49 1.88 0.09 0.00 0.00 178.44 181.36 3fyi h TYR 33 N 0.52 0.91 -0.12 1.13 -1.99 -1.03 -0.64 116.97 115.75 3fyi h TYR 33 Ca 0.14 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.88 3fyi h TYR 33 Cb 0.08 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 38.51 3fyi h TYR 33 CO -0.02 0.53 0.01 -0.07 -0.00 0.00 0.00 178.16 178.61 3fyi h LEU 34 N 0.95 0.21 -0.81 3.88 3.38 -1.10 0.12 115.31 121.93 3fyi h LEU 34 Ca 0.30 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3fyi h LEU 34 Cb 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3fyi h LEU 34 CO -0.11 0.44 0.22 -0.26 0.09 0.00 0.00 178.44 178.82 3fyi h PHE 35 N -0.03 1.15 -0.09 1.13 0.04 -1.23 -0.98 116.94 116.93 3fyi h PHE 35 Ca 0.04 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 3fyi h PHE 35 Cb 0.32 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3fyi h PHE 35 CO 0.02 0.91 -0.18 1.15 -0.60 0.00 0.00 178.31 179.61 3fyi h THR 36 N 1.07 1.40 -0.80 -1.55 2.02 -1.00 -1.77 112.91 112.28 3fyi h THR 36 Ca 0.23 -1.47 0.12 0.00 0.77 0.00 0.00 66.41 66.05 3fyi h THR 36 Cb 0.30 2.15 -0.08 0.00 -1.74 0.00 0.00 68.15 68.78 3fyi h THR 36 CO -0.01 0.42 0.41 1.23 0.37 0.00 0.00 175.52 177.94 3fyi h GLY 37 N -0.19 1.25 1.22 2.16 0.00 -0.74 -0.23 103.07 106.53 3fyi h GLY 37 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3fyi h GLY 37 CO 0.04 0.03 0.15 -1.33 0.00 0.00 0.00 176.54 175.44 3fyi h GLY 38 N 0.65 1.04 0.92 4.60 0.00 -1.05 0.17 103.07 109.41 3fyi h GLY 38 Ca 0.41 -0.62 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 3fyi h GLY 38 CO -0.31 0.58 -0.50 -2.00 0.00 0.00 0.00 176.54 174.31 3fyi h LEU 39 N 0.93 0.67 -0.75 3.11 5.85 -0.54 -0.77 115.31 123.81 3fyi h LEU 39 Ca 0.20 -0.62 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 3fyi h LEU 39 Cb 0.32 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3fyi h LEU 39 CO -0.00 1.18 0.17 0.58 -0.34 0.00 0.00 178.44 180.02 3fyi h VAL 40 N 0.21 1.26 -0.63 1.05 2.07 -1.04 -2.47 116.25 116.70 3fyi h VAL 40 Ca -0.03 -0.97 0.09 0.00 0.82 0.00 0.00 66.70 66.61 3fyi h VAL 40 Cb 1.14 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 3fyi h VAL 40 CO 0.11 0.37 0.27 1.23 0.02 0.00 0.00 177.57 179.57 3fyi h GLY 41 N 1.08 0.91 0.92 2.17 0.00 -0.55 -0.72 103.07 106.88 3fyi h GLY 41 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3fyi h GLY 41 CO 0.00 0.02 0.45 -2.00 0.00 0.00 0.00 176.54 175.02 3fyi h LEU 42 N 0.48 0.76 -0.13 3.11 5.85 -0.79 0.82 115.31 125.41 3fyi h LEU 42 Ca 0.31 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 3fyi h LEU 42 Cb 0.35 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3fyi h LEU 42 CO -0.28 0.53 0.07 0.40 -0.34 0.00 0.00 178.44 178.83 3fyi h ILE 43 N 0.90 1.11 -0.57 4.05 2.04 -0.94 -0.96 117.51 123.14 3fyi h ILE 43 Ca 0.27 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 3fyi h ILE 43 Cb -0.03 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3fyi h ILE 43 CO -0.09 0.10 -0.04 -1.28 0.00 0.00 0.00 178.15 176.83 3fyi h SER 44 N 0.11 1.00 -0.86 1.72 0.87 -0.96 -2.11 113.55 113.32 3fyi h SER 44 Ca 0.05 -0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 3fyi h SER 44 Cb 0.09 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 3fyi h SER 44 CO -0.01 1.07 0.51 0.58 -0.53 0.00 0.00 176.83 178.46 3fyi h VAL 45 N 0.92 1.24 -0.83 2.23 2.07 -0.82 -2.40 116.25 118.66 3fyi h VAL 45 Ca 0.16 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3fyi h VAL 45 Cb 0.59 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3fyi h VAL 45 CO 0.04 0.25 0.53 0.00 0.02 0.00 0.00 177.57 178.41 3fyi h ALA 46 N 1.28 1.10 -0.48 1.67 0.00 -0.75 -1.26 119.26 120.81 3fyi h ALA 46 Ca 0.31 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3fyi h ALA 46 Cb -0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.42 3fyi h ALA 46 CO -0.06 0.34 0.12 0.74 0.00 0.00 0.00 179.25 180.39 3fyi h PHE 47 N 1.01 0.20 -0.21 0.00 -1.00 -1.12 -2.09 116.94 113.73 3fyi h PHE 47 Ca 0.34 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.11 3fyi h PHE 47 Cb 0.04 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.57 3fyi h PHE 47 CO -0.03 0.03 -0.02 1.79 -1.61 0.00 0.00 178.31 178.47 3fyi h THR 48 N 0.27 1.15 -0.19 -1.55 1.35 -0.77 0.13 112.91 113.29 3fyi h THR 48 Ca 0.24 -0.60 -0.02 0.00 -0.55 0.00 0.00 66.41 65.48 3fyi h THR 48 Cb 0.29 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 3fyi h THR 48 CO -0.29 0.20 0.05 0.58 -0.25 0.00 0.00 175.52 175.81 3fyi h VAL 49 N 0.31 1.20 -0.44 6.82 2.07 -0.83 0.13 116.25 125.50 3fyi h VAL 49 Ca 0.07 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3fyi h VAL 49 Cb 0.25 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3fyi h VAL 49 CO 0.01 0.20 0.25 0.22 0.02 0.00 0.00 177.57 178.26 3fyi h TYR 50 N 0.13 0.60 -0.48 1.57 3.20 -0.99 0.11 116.97 121.12 3fyi h TYR 50 Ca 0.06 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.01 3fyi h TYR 50 Cb 0.25 -0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.25 3fyi h TYR 50 CO 0.01 0.45 0.04 0.52 -1.64 0.00 0.00 178.16 177.54 3fyi h MET 51 N 0.58 0.16 0.00 1.82 2.86 -0.67 -2.14 114.93 117.54 3fyi h MET 51 Ca 0.16 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3fyi h MET 51 Cb 0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3fyi h MET 51 CO -0.03 0.10 -0.13 0.00 1.06 0.00 0.00 176.91 177.92 3fyi h ARG 52 N 0.16 0.00 -0.18 1.72 2.47 -0.24 -0.84 114.38 117.48 3fyi h ARG 52 Ca 0.24 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.96 3fyi h ARG 52 Cb 0.35 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 3fyi h ARG 52 CO -0.37 0.13 0.09 0.52 0.56 0.00 0.00 179.97 180.91 3fyi h MET 53 N 0.00 0.25 -0.46 0.04 2.86 -0.40 -0.84 114.93 116.38 3fyi h MET 53 Ca -0.00 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3fyi h MET 53 Cb 0.86 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 3fyi h MET 53 CO 0.02 0.26 -0.18 1.49 1.06 0.00 0.00 176.91 179.56 3fyi h GLU 54 N 0.17 0.90 0.00 1.72 4.57 -1.07 -2.93 114.58 117.94 3fyi h GLU 54 Ca 0.06 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 3fyi h GLU 54 Cb 0.09 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 3fyi h GLU 54 CO -0.01 1.00 0.00 1.28 -1.18 0.00 0.00 179.01 180.10 3fyi n LEU 55 N -4.12 0.11 -0.16 1.64 4.77 -0.35 -3.95 117.00 114.94 3fyi n LEU 55 Ca 0.01 0.51 0.09 0.00 -0.03 0.00 0.00 56.01 56.59 3fyi n LEU 55 Cb 0.43 -0.48 0.41 0.00 -2.33 0.00 0.00 43.42 41.44 3fyi n LEU 55 CO 0.45 -0.09 1.21 -0.03 -1.33 0.00 0.00 177.39 177.59 3fyi h MET 56 N 0.00 0.61 -4.11 3.23 4.05 -0.94 -3.41 114.93 114.35 3fyi h MET 56 Ca 0.00 -0.04 -0.22 0.00 -0.28 0.00 0.00 59.70 59.16 3fyi h MET 56 Cb 0.47 -0.14 -0.23 0.00 -0.80 0.00 0.00 31.60 30.90 3fyi h MET 56 CO 0.00 0.40 -0.72 0.00 0.23 0.00 0.00 176.91 176.82 3fyi s ALA 57 N -5.57 0.24 0.70 0.39 0.00 -1.25 -3.55 121.76 112.72 3fyi s ALA 57 Ca -0.09 -0.50 -0.15 0.00 0.00 0.00 0.00 51.96 51.22 3fyi s ALA 57 Cb 0.20 0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.42 3fyi s ALA 57 CO 0.77 -0.08 1.16 -1.25 0.00 0.00 0.00 175.76 176.36 3fyi s PRO 58 N -1.13 2.40 0.00 0.00 0.04 -1.26 -4.78 135.00 130.27 3fyi s PRO 58 Ca -0.10 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.50 3fyi s PRO 58 Cb -0.08 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.58 3fyi s PRO 58 CO -0.00 -1.59 0.00 0.41 0.04 0.00 0.00 177.00 175.86 3fyi n GLY 59 N -0.07 -1.13 3.70 0.56 0.00 -1.26 -4.96 105.19 102.03 3fyi n GLY 59 Ca 0.12 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 3fyi n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fyi s VAL 60 N -2.98 5.22 0.00 1.61 1.01 -1.26 -4.95 120.40 119.06 3fyi s VAL 60 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3fyi s VAL 60 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3fyi s VAL 60 CO 0.00 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.40 3fyi n GLN 61 N 4.04 1.96 -0.06 2.72 3.00 -1.26 -4.50 117.38 123.28 3fyi n GLN 61 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.80 3fyi n GLN 61 Cb 0.51 -0.92 -0.05 0.00 0.00 0.00 0.00 30.24 29.79 3fyi n GLN 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3fyi n PHE 62 N -1.47 0.00 -2.49 1.08 3.01 -1.26 -0.73 117.46 115.60 3fyi n PHE 62 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 3fyi n PHE 62 Cb 0.17 -0.44 0.01 0.00 -0.01 0.00 0.00 39.48 39.21 3fyi n PHE 62 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3fyi n MET 63 N -3.12 3.74 -3.48 -1.08 2.81 -1.26 -4.67 117.12 110.04 3fyi n MET 63 Ca -0.22 -3.72 -0.37 0.00 -1.81 0.00 0.00 57.70 51.58 3fyi n MET 63 Cb 0.70 -2.87 -0.06 0.00 -0.71 0.00 0.00 33.22 30.28 3fyi n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fyi h ALA 65 N 5.83 2.14 -0.69 0.00 0.00 -0.07 -2.38 119.26 124.09 3fyi h ALA 65 Ca -0.46 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 54.61 3fyi h ALA 65 Cb 1.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 3fyi h ALA 65 CO 0.69 -0.30 0.48 0.93 0.00 0.00 0.00 179.25 181.05 3fyi h GLU 66 N 0.31 0.16 0.00 0.00 3.07 -1.90 -1.40 114.58 114.82 3fyi h GLU 66 Ca 0.29 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3fyi h GLU 66 Cb 0.71 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3fyi h GLU 66 CO -0.07 0.10 0.00 0.45 -1.40 0.00 0.00 179.01 178.09 3fyi h HIS 67 N 0.16 0.00 0.00 4.33 3.86 -1.79 -2.87 115.15 118.84 3fyi h HIS 67 Ca 0.33 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.46 3fyi h HIS 67 Cb 1.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 3fyi h HIS 67 CO -0.00 0.00 -0.41 -0.07 0.86 0.00 0.00 177.93 178.31 3fyi h LEU 68 N 0.00 0.00 -0.58 2.43 3.38 -1.43 -3.13 115.31 115.98 3fyi h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fyi h LEU 68 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3fyi h LEU 68 CO 0.00 0.41 0.00 -0.62 0.09 0.00 0.00 178.44 178.32 3fyi n GLU 69 N -3.81 0.20 -0.70 1.13 -0.58 -1.08 -4.75 120.64 111.05 3fyi n GLU 69 Ca -0.01 0.39 -0.06 0.00 -0.42 0.00 0.00 57.16 57.05 3fyi n GLU 69 Cb 0.47 -1.86 0.04 0.00 -0.57 0.00 0.00 31.44 29.52 3fyi n GLU 69 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 3fyi n SER 70 N -2.24 0.14 -3.73 1.62 7.64 -1.18 -5.08 113.62 110.79 3fyi n SER 70 Ca 0.03 -1.17 -0.30 0.00 1.01 0.00 0.00 58.87 58.43 3fyi n SER 70 Cb 0.26 -0.20 0.24 0.00 -1.01 0.00 0.00 64.21 63.50 3fyi n SER 70 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3fyi s GLY 71 N -3.39 1.64 0.12 0.23 0.00 -1.26 -4.70 107.32 99.97 3fyi s GLY 71 Ca 0.16 -1.11 -0.13 0.00 0.00 0.00 0.00 44.72 43.64 3fyi s GLY 71 CO 0.11 -0.21 1.49 -2.00 0.00 0.00 0.00 173.10 172.50 3fyi h LEU 72 N -2.48 0.83 -0.01 0.66 5.85 -1.94 0.79 115.31 119.01 3fyi h LEU 72 Ca -0.43 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 57.85 3fyi h LEU 72 Cb 1.27 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3fyi h LEU 72 CO 0.30 1.06 -0.11 0.58 -0.34 0.00 0.00 178.44 179.94 3fyi h VAL 73 N 0.60 1.54 -0.52 1.05 2.07 -1.99 -2.47 116.25 116.53 3fyi h VAL 73 Ca 0.08 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 3fyi h VAL 73 Cb 0.75 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 3fyi h VAL 73 CO 0.06 0.47 0.24 0.11 0.02 0.00 0.00 177.57 178.46 3fyi h LYS 74 N -0.57 0.75 -0.79 1.57 1.57 -1.93 -2.65 116.57 114.52 3fyi h LYS 74 Ca -0.01 -0.12 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3fyi h LYS 74 Cb 0.82 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.94 3fyi h LYS 74 CO 0.02 0.63 0.49 0.78 -0.57 0.00 0.00 179.45 180.81 3fyi h GLY 75 N 0.69 1.18 0.42 3.86 0.00 -0.95 -2.47 103.07 105.80 3fyi h GLY 75 Ca 0.18 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.18 3fyi h GLY 75 CO -0.02 0.26 -0.28 -2.75 0.00 0.00 0.00 176.54 173.75 3fyi h PHE 76 N 0.91 -0.76 -0.01 5.60 3.57 -1.13 -2.33 116.94 122.79 3fyi h PHE 76 Ca 0.34 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.75 3fyi h PHE 76 Cb 0.12 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3fyi h PHE 76 CO -0.04 -0.38 -0.51 0.74 -2.23 0.00 0.00 178.31 175.89 3fyi h PHE 77 N -0.45 0.02 -0.15 0.41 0.04 -1.37 -2.77 116.94 112.68 3fyi h PHE 77 Ca 0.05 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.70 3fyi h PHE 77 Cb 0.52 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3fyi h PHE 77 CO -0.29 0.53 -0.41 1.96 -0.60 0.00 0.00 178.31 179.49 3fyi h GLN 78 N 0.02 0.34 0.00 1.51 4.20 -1.38 -3.09 115.11 116.70 3fyi h GLN 78 Ca -0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.54 3fyi h GLN 78 Cb 0.91 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3fyi h GLN 78 CO 0.07 0.70 0.00 -1.13 -0.67 0.00 0.00 178.83 177.79 3fyi n SER 79 N -4.02 0.00 -0.29 1.46 3.41 -0.88 -2.73 113.62 110.57 3fyi n SER 79 Ca -0.02 -0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.48 3fyi n SER 79 Cb 0.49 -0.21 0.05 0.00 -0.26 0.00 0.00 64.21 64.29 3fyi n SER 79 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fyi n LEU 80 N -1.21 1.47 -4.40 1.04 4.32 -1.17 -4.72 117.00 112.34 3fyi n LEU 80 Ca 0.13 -0.55 -0.33 0.00 -0.02 0.00 0.00 56.01 55.24 3fyi n LEU 80 Cb 0.16 -0.04 -0.14 0.00 -1.62 0.00 0.00 43.42 41.77 3fyi n LEU 80 CO 0.17 0.29 -0.45 0.86 -1.22 0.00 0.00 177.39 177.03 3fyi s TRP 81 N -2.66 2.77 0.32 -1.77 -0.11 -1.10 -5.10 118.94 111.27 3fyi s TRP 81 Ca 0.16 -0.51 -0.28 0.00 1.22 0.00 0.00 56.10 56.69 3fyi s TRP 81 Cb 0.18 -1.77 -0.09 0.00 -1.50 0.00 0.00 33.47 30.28 3fyi s TRP 81 CO 0.65 -0.10 1.13 -1.25 -4.62 0.00 0.00 176.95 172.77 3fyi s PRO 82 N 0.02 4.47 0.16 5.86 0.04 -1.26 -4.79 135.00 139.50 3fyi s PRO 82 Ca -0.04 1.84 0.06 0.00 0.04 0.00 0.00 61.00 62.89 3fyi s PRO 82 Cb -0.14 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 3fyi s PRO 82 CO 0.04 0.05 0.10 -1.12 0.04 0.00 0.00 177.00 176.11 3fyi s SER 83 N -0.93 5.32 0.52 6.66 0.01 0.10 -5.02 113.70 120.35 3fyi s SER 83 Ca 0.48 -0.19 -0.23 0.00 1.31 0.00 0.00 55.95 57.32 3fyi s SER 83 Cb -0.32 -1.33 -0.06 0.00 0.21 0.00 0.00 66.02 64.52 3fyi s SER 83 CO 0.41 0.08 1.33 0.00 0.41 0.00 0.00 173.24 175.47 3fyi n ALA 84 N -0.25 1.51 -0.31 1.44 0.00 -1.26 -4.59 120.51 117.05 3fyi n ALA 84 Ca -0.09 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.60 3fyi n ALA 84 Cb 0.55 -2.33 0.26 0.00 0.00 0.00 0.00 19.45 17.92 3fyi n ALA 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fyi h VAL 85 N 1.58 0.69 0.00 0.00 2.07 -1.90 -0.54 116.25 118.15 3fyi h VAL 85 Ca -0.50 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3fyi h VAL 85 Cb 1.30 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3fyi h VAL 85 CO 0.58 0.11 0.00 1.05 0.02 0.00 0.00 177.57 179.33 3fyi h GLU 86 N 0.62 0.00 -0.17 1.57 4.11 -1.92 -1.49 114.58 117.29 3fyi h GLU 86 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.93 3fyi h GLU 86 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3fyi h GLU 86 CO -0.39 0.00 0.00 0.09 0.07 0.00 0.00 179.01 178.78 3fyi n ASN 87 N -3.00 2.51 -3.95 3.06 3.02 -0.25 -4.90 115.26 111.75 3fyi n ASN 87 Ca -0.03 -1.73 -0.31 0.00 -0.03 0.00 0.00 54.58 52.48 3fyi n ASN 87 Cb 0.09 -0.11 -0.15 0.00 -0.61 0.00 0.00 39.78 39.00 3fyi n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fyi s THR 89 N 1.06 4.11 0.22 0.00 2.01 -1.26 -4.87 115.64 116.90 3fyi s THR 89 Ca 0.11 1.24 -0.32 0.00 0.31 0.00 0.00 61.69 63.03 3fyi s THR 89 Cb -0.19 -4.14 -0.12 0.00 0.01 0.00 0.00 72.50 68.06 3fyi s THR 89 CO -0.12 -0.49 1.65 -2.65 -0.69 0.00 0.00 174.62 172.32 3fyi n PRO 90 N 7.38 2.60 -3.67 4.92 -0.02 -1.26 0.63 135.00 145.58 3fyi n PRO 90 Ca 0.15 0.93 -0.37 0.00 -2.02 0.00 0.00 63.50 62.19 3fyi n PRO 90 Cb 0.47 -2.74 -0.08 0.00 -0.02 0.00 0.00 33.50 31.12 3fyi n PRO 90 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fyi s ASN 91 N 0.92 5.53 0.52 2.55 2.47 0.21 -4.64 114.94 122.49 3fyi s ASN 91 Ca 0.73 -3.08 0.19 0.00 0.42 0.00 0.00 52.86 51.12 3fyi s ASN 91 Cb -0.54 -1.89 1.30 0.00 -1.45 0.00 0.00 41.25 38.67 3fyi s ASN 91 CO 0.38 -0.33 2.10 1.23 -3.72 0.00 0.00 177.10 176.75 3fyi h GLY 92 N 6.80 0.02 1.01 1.21 0.00 -1.93 -2.46 103.07 107.73 3fyi h GLY 92 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3fyi h GLY 92 CO 0.75 0.00 0.40 0.84 0.00 0.00 0.00 176.54 178.53 3fyi h HIS 93 N 0.01 1.02 -0.31 5.60 6.17 -1.97 -2.12 115.15 123.56 3fyi h HIS 93 Ca 0.09 -0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 3fyi h HIS 93 Cb 0.34 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 3fyi h HIS 93 CO -0.00 0.73 0.16 1.25 0.71 0.00 0.00 177.93 180.78 3fyi h LEU 94 N 1.03 0.40 -0.30 0.26 5.85 -1.82 -0.57 115.31 120.16 3fyi h LEU 94 Ca 0.26 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3fyi h LEU 94 Cb 0.05 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.90 3fyi h LEU 94 CO -0.04 0.39 -0.23 -0.25 -0.34 0.00 0.00 178.44 177.97 3fyi h TRP 95 N 0.38 -0.59 -0.91 1.25 2.91 -1.53 -0.12 115.95 117.33 3fyi h TRP 95 Ca 0.11 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 3fyi h TRP 95 Cb 0.09 0.31 -0.04 0.00 -0.51 0.00 0.00 29.16 29.00 3fyi h TRP 95 CO -0.02 -0.30 0.53 -0.91 -1.03 0.00 0.00 178.44 176.71 3fyi h ASN 96 N -0.20 1.10 -0.48 2.65 2.35 -1.01 -1.68 115.58 118.31 3fyi h ASN 96 Ca 0.16 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3fyi h ASN 96 Cb 0.45 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3fyi h ASN 96 CO -0.42 0.86 0.24 0.58 -1.65 0.00 0.00 177.43 177.04 3fyi h VAL 97 N 1.26 1.18 -0.19 2.81 2.07 -0.74 -2.29 116.25 120.35 3fyi h VAL 97 Ca 0.32 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3fyi h VAL 97 Cb -0.03 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3fyi h VAL 97 CO -0.06 0.20 0.04 0.24 0.02 0.00 0.00 177.57 178.01 3fyi h MET 98 N 0.63 0.31 -0.17 1.57 2.86 -0.45 0.28 114.93 119.96 3fyi h MET 98 Ca 0.17 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3fyi h MET 98 Cb 0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3fyi h MET 98 CO -0.02 0.45 -0.44 -0.84 1.06 0.00 0.00 176.91 177.12 3fyi h ILE 99 N 0.12 1.32 -0.28 -1.22 -0.00 -1.38 0.28 117.51 116.35 3fyi h ILE 99 Ca 0.06 -1.62 -0.03 0.00 -0.00 0.00 0.00 64.86 63.27 3fyi h ILE 99 Cb 0.28 1.67 -0.01 0.00 -0.00 0.00 0.00 36.82 38.76 3fyi h ILE 99 CO 0.00 0.50 0.04 0.74 -0.00 0.00 0.00 178.15 179.43 3fyi h THR 100 N 0.33 1.23 -0.24 0.16 2.02 -1.32 -0.77 112.91 114.31 3fyi h THR 100 Ca 0.02 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.44 3fyi h THR 100 Cb 0.91 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 3fyi h THR 100 CO 0.08 0.26 0.05 1.23 0.37 0.00 0.00 175.52 177.51 3fyi h GLY 101 N 0.27 0.28 0.59 2.16 0.00 -0.64 -0.95 103.07 104.79 3fyi h GLY 101 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 47.33 47.42 3fyi h GLY 101 CO 0.01 -0.00 -0.16 0.84 0.00 0.00 0.00 176.54 177.22 3fyi h HIS 102 N 0.15 -0.42 -0.22 5.60 -0.00 -0.30 -1.77 115.15 118.18 3fyi h HIS 102 Ca 0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 3fyi h HIS 102 Cb 0.11 0.19 -0.01 0.00 -0.00 0.00 0.00 27.41 27.69 3fyi h HIS 102 CO -0.15 -0.24 0.10 0.78 -0.00 0.00 0.00 177.93 178.42 3fyi h GLY 103 N -0.26 0.35 0.90 5.26 0.00 -1.02 -2.18 103.07 106.13 3fyi h GLY 103 Ca 0.06 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3fyi h GLY 103 CO -0.17 0.18 0.02 -2.22 0.00 0.00 0.00 176.54 174.35 3fyi h ILE 104 N 0.22 1.09 -0.35 2.60 2.04 -1.17 -0.74 117.51 121.20 3fyi h ILE 104 Ca 0.08 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.74 3fyi h ILE 104 Cb 0.16 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 3fyi h ILE 104 CO -0.01 0.07 -0.06 -0.07 0.00 0.00 0.00 178.15 178.08 3fyi h LEU 105 N -0.04 -0.28 -0.22 1.44 3.38 -1.35 -0.88 115.31 117.36 3fyi h LEU 105 Ca 0.01 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3fyi h LEU 105 Cb 0.10 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3fyi h LEU 105 CO -0.00 -0.09 0.10 0.24 0.09 0.00 0.00 178.44 178.77 3fyi h MET 106 N 0.03 0.33 0.00 1.13 2.86 -1.29 0.18 114.93 118.17 3fyi h MET 106 Ca 0.17 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 3fyi h MET 106 Cb 0.25 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3fyi h MET 106 CO -0.34 0.36 -0.51 0.52 1.06 0.00 0.00 176.91 178.00 3fyi h MET 107 N 0.22 0.00 0.00 1.72 2.86 -0.99 -3.11 114.93 115.64 3fyi h MET 107 Ca 0.08 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3fyi h MET 107 Cb 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3fyi h MET 107 CO -0.01 0.51 -1.39 1.19 1.06 0.00 0.00 176.91 178.27 3fyi n PHE 108 N -3.26 0.00 -0.20 -0.22 3.72 -0.35 -4.79 117.46 112.35 3fyi n PHE 108 Ca 0.02 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.42 3fyi n PHE 108 Cb 0.72 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3fyi n PHE 108 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3fyi n PHE 109 N -2.26 0.00 0.00 1.38 3.72 0.54 -4.70 117.46 116.14 3fyi n PHE 109 Ca -0.10 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.83 3fyi n PHE 109 Cb 0.68 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 3fyi n PHE 109 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3fyi n VAL 110 N -0.50 0.00 0.09 -4.37 0.31 -0.52 -4.66 118.33 108.68 3fyi n VAL 110 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.18 3fyi n VAL 110 Cb 0.31 -0.53 -0.09 0.00 -0.91 0.00 0.00 33.84 32.61 3fyi n VAL 110 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3fyi h VAL 111 N 0.00 1.40 -0.07 2.52 -1.51 -1.81 -1.66 116.25 115.11 3fyi h VAL 111 Ca 0.00 -2.65 -0.03 0.00 -1.23 0.00 0.00 66.70 62.79 3fyi h VAL 111 Cb 0.00 2.66 -0.00 0.00 -2.13 0.00 0.00 31.29 31.82 3fyi h VAL 111 CO 0.00 0.79 -0.08 0.40 -1.23 0.00 0.00 177.57 177.45 3fyi h ILE 112 N 0.19 1.38 -0.87 7.19 2.04 -1.87 -0.14 117.51 125.43 3fyi h ILE 112 Ca -0.12 -1.26 0.14 0.00 1.00 0.00 0.00 64.86 64.61 3fyi h ILE 112 Cb 1.79 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 39.86 3fyi h ILE 112 CO 0.20 0.35 0.56 -0.65 0.00 0.00 0.00 178.15 178.61 3fyi h PRO 113 N -0.26 0.64 -0.06 2.37 0.11 -1.84 0.31 132.00 133.28 3fyi h PRO 113 Ca 0.01 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.05 3fyi h PRO 113 Cb 0.60 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 3fyi h PRO 113 CO 0.02 0.43 -0.08 0.00 -0.21 0.00 0.00 178.00 178.16 3fyi h ALA 114 N 1.60 0.08 0.02 -0.75 0.00 -1.15 0.20 119.26 119.27 3fyi h ALA 114 Ca 0.44 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fyi h ALA 114 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fyi h ALA 114 CO -0.19 -0.09 -0.01 -0.07 0.00 0.00 0.00 179.25 178.89 3fyi h LEU 115 N -0.32 -0.02 0.00 0.00 3.38 -0.80 -1.90 115.31 115.64 3fyi h LEU 115 Ca 0.01 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 3fyi h LEU 115 Cb 0.62 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3fyi h LEU 115 CO 0.02 0.79 -0.19 0.15 0.09 0.00 0.00 178.44 179.30 3fyi h PHE 116 N -0.92 0.00 -0.05 1.13 3.57 -0.58 -0.03 116.94 120.05 3fyi h PHE 116 Ca -0.00 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3fyi h PHE 116 Cb 0.74 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 3fyi h PHE 116 CO 0.20 0.33 -0.37 0.78 -2.23 0.00 0.00 178.31 177.02 3fyi h GLY 117 N -1.00 0.10 0.00 2.40 0.00 -1.18 -2.59 103.07 100.80 3fyi h GLY 117 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3fyi h GLY 117 CO -0.02 0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.21 3fyi n GLY 118 N -0.39 0.74 0.30 4.60 0.00 0.68 -3.81 105.19 107.32 3fyi n GLY 118 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 3fyi n GLY 118 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fyi h PHE 119 N 0.00 0.74 0.30 1.61 0.04 -1.27 -1.30 116.94 117.06 3fyi h PHE 119 Ca 0.00 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3fyi h PHE 119 Cb 0.00 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 3fyi h PHE 119 CO 0.00 0.61 -0.30 0.78 -0.60 0.00 0.00 178.31 178.80 3fyi h GLY 120 N 0.89 -0.68 1.00 -1.45 0.00 -0.62 0.14 103.07 102.35 3fyi h GLY 120 Ca 0.17 0.34 -0.02 0.00 0.00 0.00 0.00 47.33 47.82 3fyi h GLY 120 CO -0.01 -0.26 0.31 3.43 0.00 0.00 0.00 176.54 180.01 3fyi h ASN 121 N -0.63 0.83 0.20 0.19 2.35 -1.36 -2.26 115.58 114.91 3fyi h ASN 121 Ca -0.01 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3fyi h ASN 121 Cb 0.57 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3fyi h ASN 121 CO -0.06 0.72 -0.10 0.22 -1.65 0.00 0.00 177.43 176.57 3fyi h TYR 122 N 0.88 -0.25 0.00 1.19 5.03 -1.15 -3.41 116.97 119.26 3fyi h TYR 122 Ca 0.22 -0.01 -0.29 0.00 2.58 0.00 0.00 58.73 61.23 3fyi h TYR 122 Cb 0.11 0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.42 3fyi h TYR 122 CO 0.00 0.08 -2.20 1.19 -1.32 0.00 0.00 178.16 175.92 3fyi n PHE 123 N -5.06 0.17 -0.06 -3.82 3.72 0.47 -4.25 117.46 108.63 3fyi n PHE 123 Ca -0.09 0.06 -0.08 0.00 -0.05 0.00 0.00 57.45 57.28 3fyi n PHE 123 Cb 0.24 -0.95 -0.02 0.00 -0.94 0.00 0.00 39.48 37.81 3fyi n PHE 123 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3fyi h MET 124 N 0.00 0.18 -0.75 -1.08 4.05 -1.51 0.16 114.93 115.96 3fyi h MET 124 Ca -0.41 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 58.99 3fyi h MET 124 Cb 1.99 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 32.71 3fyi h MET 124 CO 0.03 0.12 0.44 -1.35 0.23 0.00 0.00 176.91 176.38 3fyi h PRO 125 N 0.18 1.02 -0.86 0.39 0.11 -1.78 -2.28 132.00 128.78 3fyi h PRO 125 Ca 0.10 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 3fyi h PRO 125 Cb 0.08 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 30.93 3fyi h PRO 125 CO -0.11 0.72 0.44 -0.07 -0.21 0.00 0.00 178.00 178.78 3fyi h LEU 126 N 1.04 1.10 -1.10 2.35 3.38 -1.59 0.13 115.31 120.62 3fyi h LEU 126 Ca 0.27 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3fyi h LEU 126 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3fyi h LEU 126 CO -0.05 0.91 -0.39 0.45 0.09 0.00 0.00 178.44 179.45 3fyi h HIS 127 N 1.22 0.00 -0.08 1.13 3.86 -0.17 -3.10 115.15 118.01 3fyi h HIS 127 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 3fyi h HIS 127 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3fyi h HIS 127 CO 0.01 0.39 0.00 0.44 0.86 0.00 0.00 177.93 179.63 3fyi n ILE 128 N -3.74 0.09 -1.14 2.45 -5.35 -0.92 -4.54 119.36 106.21 3fyi n ILE 128 Ca -0.01 -0.55 -0.03 0.00 -0.27 0.00 0.00 62.75 61.89 3fyi n ILE 128 Cb 0.47 1.32 -0.01 0.00 -1.74 0.00 0.00 39.64 39.68 3fyi n ILE 128 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fyi n GLY 129 N 1.11 0.60 3.77 3.28 0.00 -0.60 -0.90 105.19 112.45 3fyi n GLY 129 Ca 0.12 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.82 3fyi n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fyi s ALA 130 N -2.12 3.45 0.28 4.61 0.00 0.34 -4.35 121.76 123.98 3fyi s ALA 130 Ca 0.00 0.33 0.16 0.00 0.00 0.00 0.00 51.96 52.45 3fyi s ALA 130 Cb 0.00 -2.94 0.72 0.00 0.00 0.00 0.00 23.12 20.90 3fyi s ALA 130 CO 0.00 0.26 1.78 -1.00 0.00 0.00 0.00 175.76 176.80 3fyi h PRO 131 N 4.56 0.00 -2.54 0.00 0.13 -1.84 -3.39 132.00 128.92 3fyi h PRO 131 Ca -0.47 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.83 3fyi h PRO 131 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 3fyi h PRO 131 CO 0.67 0.39 0.60 0.34 -0.23 0.00 0.00 178.00 179.77 3fyi s ASP 132 N -6.64 0.01 0.55 1.44 -1.08 -1.26 -4.52 116.67 105.17 3fyi s ASP 132 Ca -0.01 -0.67 -0.17 0.00 -0.52 0.00 0.00 52.55 51.17 3fyi s ASP 132 Cb 0.13 0.49 -0.06 0.00 -1.46 0.00 0.00 42.92 42.02 3fyi s ASP 132 CO 0.70 -0.98 1.05 -0.04 0.52 0.00 0.00 175.17 176.42 3fyi s MET 133 N -2.12 3.51 0.26 4.34 -1.94 -1.26 -4.97 119.30 117.12 3fyi s MET 133 Ca 0.23 1.26 -0.01 0.00 -1.71 0.00 0.00 55.69 55.45 3fyi s MET 133 Cb -0.03 -2.06 0.56 0.00 2.01 0.00 0.00 34.83 35.31 3fyi s MET 133 CO 0.05 -0.66 1.72 0.00 -0.01 0.00 0.00 175.02 176.13 3fyi h ALA 134 N 0.86 1.22 -2.78 3.03 0.00 -1.92 -3.31 119.26 116.37 3fyi h ALA 134 Ca -0.48 0.13 -0.61 0.00 0.00 0.00 0.00 54.91 53.95 3fyi h ALA 134 Cb 1.22 0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.69 3fyi h ALA 134 CO 0.58 -0.23 -0.69 1.19 0.00 0.00 0.00 179.25 180.11 3fyi n PHE 135 N -4.99 2.18 -0.07 0.00 3.72 -1.26 -4.98 117.46 112.06 3fyi n PHE 135 Ca 0.17 -4.03 0.08 0.00 -0.05 0.00 0.00 57.45 53.62 3fyi n PHE 135 Cb 0.49 -0.40 0.44 0.00 -0.94 0.00 0.00 39.48 39.08 3fyi n PHE 135 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3fyi h PRO 136 N 5.26 0.52 -0.27 -1.08 0.11 -1.84 -1.16 132.00 133.53 3fyi h PRO 136 Ca 0.18 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.10 3fyi h PRO 136 Cb 0.78 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 3fyi h PRO 136 CO 0.64 0.34 -0.46 0.07 -0.21 0.00 0.00 178.00 178.38 3fyi h ARG 137 N 0.53 0.71 -0.35 1.05 -0.00 -1.94 -2.30 114.38 112.09 3fyi h ARG 137 Ca 0.24 -0.40 -0.09 0.00 -0.00 0.00 0.00 59.98 59.73 3fyi h ARG 137 Cb 0.26 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.24 3fyi h ARG 137 CO -0.07 1.02 -0.14 1.98 -0.00 0.00 0.00 179.97 182.77 3fyi h MET 138 N 0.57 0.62 -0.38 0.08 -1.53 -1.76 -2.10 114.93 110.42 3fyi h MET 138 Ca 0.03 -0.20 -0.02 0.00 -3.44 0.00 0.00 59.70 56.08 3fyi h MET 138 Cb 1.02 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 32.00 3fyi h MET 138 CO 0.10 0.74 0.17 -0.97 0.14 0.00 0.00 176.91 177.09 3fyi h ASN 139 N 0.57 0.51 -0.95 1.39 -1.24 -1.04 -0.79 115.58 114.03 3fyi h ASN 139 Ca 0.10 -0.14 0.00 0.00 0.71 0.00 0.00 56.30 56.97 3fyi h ASN 139 Cb 0.56 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.44 3fyi h ASN 139 CO 0.04 0.51 0.59 -1.13 -1.29 0.00 0.00 177.43 176.15 3fyi h ASN 140 N 0.48 1.12 -0.53 1.15 -1.24 -1.29 -2.69 115.58 112.58 3fyi h ASN 140 Ca 0.13 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 3fyi h ASN 140 Cb 0.14 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 3fyi h ASN 140 CO -0.01 0.84 0.22 0.25 -1.29 0.00 0.00 177.43 177.44 3fyi h LEU 141 N 1.30 0.72 -0.78 0.34 5.85 -1.06 -2.77 115.31 118.92 3fyi h LEU 141 Ca 0.34 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.02 3fyi h LEU 141 Cb -0.09 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.67 3fyi h LEU 141 CO -0.07 0.69 0.38 0.77 -0.34 0.00 0.00 178.44 179.87 3fyi h SER 142 N 0.71 0.46 -0.21 1.25 4.64 -0.84 -0.83 113.55 118.73 3fyi h SER 142 Ca 0.18 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.60 3fyi h SER 142 Cb 0.19 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3fyi h SER 142 CO -0.02 0.22 0.09 0.22 -0.87 0.00 0.00 176.83 176.47 3fyi h TYR 143 N 0.59 0.16 0.00 4.77 3.20 -1.33 -1.94 116.97 122.42 3fyi h TYR 143 Ca 0.41 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.22 3fyi h TYR 143 Cb 0.53 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3fyi h TYR 143 CO -0.11 0.08 -0.31 -1.49 -1.64 0.00 0.00 178.16 174.69 3fyi h TRP 144 N 0.20 0.00 -0.45 -3.82 4.06 -1.03 -1.87 115.95 113.03 3fyi h TRP 144 Ca 0.09 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.91 3fyi h TRP 144 Cb 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.19 3fyi h TRP 144 CO -0.11 0.31 -0.25 -0.07 -3.56 0.00 0.00 178.44 174.77 3fyi h LEU 145 N 0.00 0.99 -0.10 -4.49 3.38 -1.00 -1.00 115.31 113.07 3fyi h LEU 145 Ca -0.00 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.61 3fyi h LEU 145 Cb 0.58 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3fyi h LEU 145 CO 0.04 1.17 -0.11 0.22 0.09 0.00 0.00 178.44 179.85 3fyi h TYR 146 N 0.82 -0.28 -0.50 1.13 3.20 -0.95 -0.75 116.97 119.63 3fyi h TYR 146 Ca 0.10 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3fyi h TYR 146 Cb 0.82 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 3fyi h TYR 146 CO 0.05 -0.17 0.30 0.28 -1.64 0.00 0.00 178.16 176.98 3fyi h VAL 147 N -0.14 1.16 -0.58 1.81 2.07 -1.22 -0.38 116.25 118.97 3fyi h VAL 147 Ca 0.08 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3fyi h VAL 147 Cb 0.26 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3fyi h VAL 147 CO -0.19 0.16 0.27 0.00 0.02 0.00 0.00 177.57 177.83 3fyi h ALA 148 N 1.14 0.75 -0.63 1.67 0.00 -1.10 -1.25 119.26 119.84 3fyi h ALA 148 Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3fyi h ALA 148 Cb -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3fyi h ALA 148 CO -0.03 0.33 0.41 0.78 0.00 0.00 0.00 179.25 180.74 3fyi h GLY 149 N 0.79 0.89 1.00 0.00 0.00 -0.89 -1.60 103.07 103.26 3fyi h GLY 149 Ca 0.20 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3fyi h GLY 149 CO -0.02 0.33 0.38 -0.84 0.00 0.00 0.00 176.54 176.38 3fyi h THR 150 N 0.85 1.16 -0.76 4.70 2.02 -0.88 -0.52 112.91 119.48 3fyi h THR 150 Ca 0.23 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 3fyi h THR 150 Cb -0.09 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 3fyi h THR 150 CO -0.05 0.16 0.27 0.28 0.37 0.00 0.00 175.52 176.55 3fyi h SER 151 N 0.80 1.08 -0.41 4.18 0.02 -0.96 -1.01 113.55 117.24 3fyi h SER 151 Ca 0.21 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3fyi h SER 151 Cb -0.07 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 3fyi h SER 151 CO -0.04 0.98 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.36 3fyi h LEU 152 N 1.12 0.89 -0.56 5.07 3.38 -1.01 0.81 115.31 125.01 3fyi h LEU 152 Ca 0.25 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3fyi h LEU 152 Cb 0.26 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3fyi h LEU 152 CO -0.01 1.09 0.30 0.00 0.09 0.00 0.00 178.44 179.90 3fyi h ALA 153 N 0.82 0.73 -0.16 1.53 0.00 -0.79 -0.28 119.26 121.12 3fyi h ALA 153 Ca 0.09 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3fyi h ALA 153 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fyi h ALA 153 CO 0.06 -0.04 -0.39 0.28 0.00 0.00 0.00 179.25 179.16 3fyi h VAL 154 N 0.57 1.35 -0.87 0.00 2.07 -1.06 -3.05 116.25 115.26 3fyi h VAL 154 Ca 0.25 -1.66 0.11 0.00 0.82 0.00 0.00 66.70 66.22 3fyi h VAL 154 Cb 0.14 1.99 -0.08 0.00 -1.52 0.00 0.00 31.29 31.82 3fyi h VAL 154 CO -0.16 0.50 0.50 0.00 0.02 0.00 0.00 177.57 178.43 3fyi h ALA 155 N 0.55 1.27 -0.64 1.67 0.00 -0.70 -1.98 119.26 119.44 3fyi h ALA 155 Ca -0.00 0.04 0.18 0.00 0.00 0.00 0.00 54.91 55.13 3fyi h ALA 155 Cb 1.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3fyi h ALA 155 CO 0.09 0.08 0.46 0.66 0.00 0.00 0.00 179.25 180.53 3fyi h SER 156 N 0.79 0.02 0.35 0.00 4.64 -0.93 0.16 113.55 118.58 3fyi h SER 156 Ca 0.44 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.70 3fyi h SER 156 Cb 0.47 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3fyi h SER 156 CO -0.28 0.01 -0.28 -0.07 -0.87 0.00 0.00 176.83 175.35 3fyi h LEU 157 N 0.03 0.00 -2.87 5.97 3.38 -1.39 -2.92 115.31 117.51 3fyi h LEU 157 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3fyi h LEU 157 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3fyi h LEU 157 CO -0.01 0.28 0.00 0.49 0.09 0.00 0.00 178.44 179.28 3fyi n PHE 158 N -4.04 0.65 -3.84 1.13 3.72 0.00 -3.39 117.46 111.69 3fyi n PHE 158 Ca -0.02 -0.51 -0.33 0.00 -0.05 0.00 0.00 57.45 56.54 3fyi n PHE 158 Cb 0.34 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.80 3fyi n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fyi s ALA 159 N -1.08 3.93 -0.24 4.37 0.00 -0.95 -4.88 121.76 122.91 3fyi s ALA 159 Ca 0.32 -0.72 -0.41 0.00 0.00 0.00 0.00 51.96 51.15 3fyi s ALA 159 Cb 0.17 -1.94 -0.17 0.00 0.00 0.00 0.00 23.12 21.17 3fyi s ALA 159 CO 0.21 0.74 1.57 -2.30 0.00 0.00 0.00 175.76 175.98 3fyi n PRO 160 N 0.66 0.75 0.00 0.00 -0.02 -1.26 -0.84 135.00 134.28 3fyi n PRO 160 Ca -0.08 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3fyi n PRO 160 Cb 0.52 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3fyi n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fyi n GLY 161 N 3.58 5.45 3.73 -1.23 0.00 0.14 -1.13 105.19 115.73 3fyi n GLY 161 Ca 0.26 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 3fyi n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyi s GLY 162 N 0.00 2.64 -1.89 -0.02 0.00 -1.07 -3.70 107.32 103.27 3fyi s GLY 162 Ca 0.00 1.07 0.00 0.00 0.00 0.00 0.00 44.72 45.79 3fyi s GLY 162 CO 0.00 1.49 0.00 0.70 0.00 0.00 0.00 173.10 175.29 3fyi n ASN 163 N -2.26 -5.69 -1.07 1.64 3.02 -1.26 -1.31 115.26 108.33 3fyi n ASN 163 Ca 0.15 0.16 -0.13 0.00 -0.03 0.00 0.00 54.58 54.73 3fyi n ASN 163 Cb 0.49 -4.80 -0.05 0.00 -0.61 0.00 0.00 39.78 34.81 3fyi n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fyi n GLY 164 N -0.83 1.15 0.14 7.41 0.00 -1.24 -5.01 105.19 106.82 3fyi n GLY 164 Ca -0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 46.02 45.37 3fyi n GLY 164 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fyi n GLN 165 N -2.57 1.79 -3.56 1.61 6.02 -0.43 -4.96 117.38 115.28 3fyi n GLN 165 Ca -0.13 -0.14 -0.31 0.00 -0.01 0.00 0.00 57.00 56.41 3fyi n GLN 165 Cb 0.45 0.03 -0.04 0.00 1.02 0.00 0.00 30.24 31.70 3fyi n GLN 165 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fyi s LEU 166 N 0.00 4.21 0.00 1.08 1.43 -1.26 0.28 118.68 124.41 3fyi s LEU 166 Ca 0.00 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 3fyi s LEU 166 Cb -0.00 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.80 3fyi s LEU 166 CO 0.00 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3fyi n GLY 167 N -0.21 -1.30 3.54 -3.19 0.00 -0.02 -4.65 105.19 99.36 3fyi n GLY 167 Ca -0.02 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 3fyi n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fyi s SER 168 N -3.05 5.83 -1.06 1.61 0.01 -1.26 -2.61 113.70 113.16 3fyi s SER 168 Ca 0.00 -0.14 -0.03 0.00 1.31 0.00 0.00 55.95 57.09 3fyi s SER 168 Cb 0.00 -2.08 0.31 0.00 0.21 0.00 0.00 66.02 64.46 3fyi s SER 168 CO 0.00 -0.08 1.50 0.61 0.41 0.00 0.00 173.24 175.68 3fyi n GLY 169 N 5.04 5.26 0.00 3.44 0.00 -1.26 -4.16 105.19 113.51 3fyi n GLY 169 Ca -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.21 3fyi n GLY 169 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fyi n ILE 170 N 1.17 0.01 0.00 -0.61 -5.35 -1.26 -4.82 119.36 108.50 3fyi n ILE 170 Ca 0.28 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3fyi n ILE 170 Cb 0.33 1.49 0.00 0.00 -1.74 0.00 0.00 39.64 39.72 3fyi n ILE 170 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fyi n GLY 171 N -0.01 -2.54 0.23 3.28 0.00 -1.26 -3.92 105.19 100.97 3fyi n GLY 171 Ca 0.00 -1.34 0.16 0.00 0.00 0.00 0.00 46.02 44.83 3fyi n GLY 171 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3fyi h TRP 172 N 0.00 0.00 -0.02 1.61 5.08 -1.87 -2.48 115.95 118.28 3fyi h TRP 172 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fyi h TRP 172 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3fyi h TRP 172 CO 0.00 0.00 -0.22 1.33 -1.28 0.00 0.00 178.44 178.27 3fyi n VAL 173 N -2.76 0.00 -3.73 0.12 0.24 -1.26 -4.85 118.33 106.09 3fyi n VAL 173 Ca 0.01 -0.29 -0.27 0.00 -2.04 0.00 0.00 64.34 61.75 3fyi n VAL 173 Cb 0.24 1.00 0.06 0.00 -1.47 0.00 0.00 33.84 33.66 3fyi n VAL 173 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3fyi n LEU 174 N 0.24 -3.03 -4.67 1.34 4.77 -0.93 -4.91 117.00 109.80 3fyi n LEU 174 Ca 0.13 -0.64 -0.46 0.00 -0.03 0.00 0.00 56.01 55.00 3fyi n LEU 174 Cb 0.46 -2.83 -0.04 0.00 -2.33 0.00 0.00 43.42 38.67 3fyi n LEU 174 CO 0.22 0.58 1.28 -1.22 -1.33 0.00 0.00 177.39 176.92 3fyi n TYR 175 N -4.88 2.30 -2.19 -1.77 4.02 -1.26 -4.53 117.16 108.85 3fyi n TYR 175 Ca 0.03 0.18 -0.28 0.00 -0.01 0.00 0.00 57.90 57.82 3fyi n TYR 175 Cb 0.54 -2.58 0.04 0.00 -0.02 0.00 0.00 39.34 37.32 3fyi n TYR 175 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3fyi s PRO 176 N 1.83 2.85 0.01 -0.72 0.04 -1.26 -1.06 135.00 136.69 3fyi s PRO 176 Ca 0.83 0.16 0.16 0.00 0.04 0.00 0.00 61.00 62.19 3fyi s PRO 176 Cb -0.68 -2.17 0.67 0.00 0.04 0.00 0.00 34.50 32.37 3fyi s PRO 176 CO 0.42 -0.86 1.50 -2.30 0.04 0.00 0.00 177.00 175.79 3fyi n PRO 177 N -2.77 0.01 -0.03 0.56 -0.02 -1.26 -4.82 135.00 126.67 3fyi n PRO 177 Ca 0.06 0.24 -0.08 0.00 -2.02 0.00 0.00 63.50 61.69 3fyi n PRO 177 Cb 0.58 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.52 3fyi n PRO 177 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fyi h LEU 178 N 0.00 -0.52 -1.00 2.45 5.85 -1.93 0.93 115.31 121.09 3fyi h LEU 178 Ca 0.00 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 3fyi h LEU 178 Cb 0.27 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 3fyi h LEU 178 CO 0.00 -0.20 -0.14 0.77 -0.34 0.00 0.00 178.44 178.53 3fyi h SER 179 N -0.18 0.55 1.66 1.25 4.64 -1.33 -1.98 113.55 118.16 3fyi h SER 179 Ca 0.11 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3fyi h SER 179 Cb 0.35 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3fyi h SER 179 CO -0.29 0.71 -0.06 0.71 -0.87 0.00 0.00 176.83 177.04 3fyi h THR 180 N 0.51 0.11 -0.01 2.95 1.35 -1.70 -3.24 112.91 112.88 3fyi h THR 180 Ca 0.09 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3fyi h THR 180 Cb 0.54 1.91 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3fyi h THR 180 CO 0.03 0.06 -0.68 -1.54 -0.25 0.00 0.00 175.52 173.14 3fyi n SER 181 N -3.13 1.60 -4.68 5.36 3.41 0.28 -4.67 113.62 111.79 3fyi n SER 181 Ca 0.03 -1.30 -0.45 0.00 -0.26 0.00 0.00 58.87 56.89 3fyi n SER 181 Cb 0.49 0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 65.09 3fyi n SER 181 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3fyi n GLU 182 N -0.62 2.47 -1.53 4.33 4.07 -0.77 -4.95 120.64 123.64 3fyi n GLU 182 Ca 0.07 0.90 -0.29 0.00 -0.06 0.00 0.00 57.16 57.78 3fyi n GLU 182 Cb 0.41 -2.75 0.12 0.00 -0.06 0.00 0.00 31.44 29.16 3fyi n GLU 182 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 3fyi s SER 183 N 2.62 3.86 0.20 4.31 1.04 -1.26 -4.86 113.70 119.61 3fyi s SER 183 Ca 0.84 1.10 0.00 0.00 0.48 0.00 0.00 55.95 58.37 3fyi s SER 183 Cb -0.59 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 63.80 3fyi s SER 183 CO 0.41 -2.35 0.00 0.61 0.98 0.00 0.00 173.24 172.90 3fyi n GLY 184 N -2.15 -1.61 0.01 7.32 0.00 -1.26 -3.06 105.19 104.44 3fyi n GLY 184 Ca 0.07 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3fyi n GLY 184 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3fyi n TYR 185 N -0.27 0.00 -0.26 1.61 4.11 -0.68 -4.70 117.16 116.97 3fyi n TYR 185 Ca 0.00 -0.35 0.07 0.00 -0.00 0.00 0.00 57.90 57.61 3fyi n TYR 185 Cb 0.00 -0.04 0.20 0.00 -0.00 0.00 0.00 39.34 39.51 3fyi n TYR 185 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3fyi h SER 186 N 0.02 0.08 0.07 9.48 0.87 -1.36 -1.57 113.55 121.15 3fyi h SER 186 Ca 0.00 0.15 -0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3fyi h SER 186 Cb 0.36 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3fyi h SER 186 CO 0.00 -0.02 -0.23 0.74 -0.53 0.00 0.00 176.83 176.79 3fyi h THR 187 N 0.30 1.23 -0.31 2.23 2.02 -1.84 -1.49 112.91 115.06 3fyi h THR 187 Ca 0.44 -1.09 -0.18 0.00 0.77 0.00 0.00 66.41 66.35 3fyi h THR 187 Cb 0.76 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3fyi h THR 187 CO -0.51 0.33 -0.51 0.44 0.37 0.00 0.00 175.52 175.64 3fyi h ASP 188 N 0.25 0.98 -0.66 4.18 5.19 -1.64 -1.55 116.42 123.17 3fyi h ASP 188 Ca 0.04 -0.51 0.03 0.00 -0.62 0.00 0.00 57.03 55.98 3fyi h ASP 188 Cb 0.55 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 39.74 3fyi h ASP 188 CO 0.04 1.31 0.41 -0.07 -3.12 0.00 0.00 179.24 177.80 3fyi h LEU 189 N 0.69 0.66 -0.81 1.55 3.38 -1.06 -0.76 115.31 118.96 3fyi h LEU 189 Ca 0.02 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3fyi h LEU 189 Cb 1.12 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 3fyi h LEU 189 CO 0.12 0.46 0.53 0.00 0.09 0.00 0.00 178.44 179.63 3fyi h ALA 190 N 1.29 1.03 -0.48 1.53 0.00 -1.15 0.80 119.26 122.28 3fyi h ALA 190 Ca 0.27 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3fyi h ALA 190 Cb 0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3fyi h ALA 190 CO -0.11 0.45 0.03 0.82 0.00 0.00 0.00 179.25 180.43 3fyi h ILE 191 N 1.10 1.26 -0.65 0.00 2.04 -0.99 -1.72 117.51 118.55 3fyi h ILE 191 Ca 0.30 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3fyi h ILE 191 Cb -0.12 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3fyi h ILE 191 CO -0.06 0.35 0.42 -0.26 0.00 0.00 0.00 178.15 178.60 3fyi h PHE 192 N 0.68 0.83 -0.52 1.37 0.04 -0.75 -1.25 116.94 117.33 3fyi h PHE 192 Ca 0.14 0.01 0.09 0.00 2.80 0.00 0.00 57.97 61.01 3fyi h PHE 192 Cb 0.46 -0.28 -0.07 0.00 2.20 0.00 0.00 35.95 38.26 3fyi h PHE 192 CO 0.03 0.53 0.13 0.00 -0.60 0.00 0.00 178.31 178.41 3fyi h ALA 193 N 1.23 0.62 -0.37 2.45 0.00 -0.56 -1.37 119.26 121.25 3fyi h ALA 193 Ca 0.24 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 3fyi h ALA 193 Cb -0.08 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3fyi h ALA 193 CO -0.05 -0.28 -0.22 0.28 0.00 0.00 0.00 179.25 178.99 3fyi h VAL 194 N 0.28 1.27 -0.48 0.00 2.07 -1.06 -0.95 116.25 117.38 3fyi h VAL 194 Ca 0.26 -1.31 0.07 0.00 0.82 0.00 0.00 66.70 66.55 3fyi h VAL 194 Cb 0.34 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3fyi h VAL 194 CO -0.32 0.43 0.15 0.45 0.02 0.00 0.00 177.57 178.30 3fyi h HIS 195 N 0.63 0.25 -0.40 1.57 -0.00 -0.60 -1.01 115.15 115.59 3fyi h HIS 195 Ca 0.09 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.42 3fyi h HIS 195 Cb 0.71 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 28.06 3fyi h HIS 195 CO 0.03 0.06 -0.02 -0.07 -0.00 0.00 0.00 177.93 177.94 3fyi h LEU 196 N 0.31 0.70 0.02 2.43 3.38 -0.94 -1.65 115.31 119.55 3fyi h LEU 196 Ca 0.24 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3fyi h LEU 196 Cb 0.27 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3fyi h LEU 196 CO -0.27 0.85 -0.31 -1.28 0.09 0.00 0.00 178.44 177.52 3fyi h SER 197 N 0.54 -0.93 -0.98 -0.43 0.87 -1.10 -1.03 113.55 110.49 3fyi h SER 197 Ca 0.11 0.12 0.14 0.00 -1.23 0.00 0.00 61.79 60.93 3fyi h SER 197 Cb 0.50 0.37 -0.09 0.00 -0.44 0.00 0.00 62.40 62.74 3fyi h SER 197 CO 0.02 -0.38 0.60 1.23 -0.53 0.00 0.00 176.83 177.78 3fyi h GLY 198 N -0.48 1.64 0.82 5.77 0.00 -1.06 -0.26 103.07 109.50 3fyi h GLY 198 Ca 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 3fyi h GLY 198 CO -0.25 0.09 -0.02 0.00 0.00 0.00 0.00 176.54 176.37 3fyi h ALA 199 N 1.56 0.28 -0.42 3.60 0.00 -1.06 -0.37 119.26 122.85 3fyi h ALA 199 Ca 0.51 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3fyi h ALA 199 Cb 0.58 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3fyi h ALA 199 CO -0.30 0.02 -0.07 1.03 0.00 0.00 0.00 179.25 179.93 3fyi h SER 200 N 0.12 -0.32 -0.59 0.00 0.87 -0.63 -0.96 113.55 112.04 3fyi h SER 200 Ca 0.06 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 3fyi h SER 200 Cb 0.43 0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3fyi h SER 200 CO 0.01 -0.11 0.18 0.28 -0.53 0.00 0.00 176.83 176.66 3fyi h SER 201 N 0.03 0.87 -0.27 6.23 0.02 -0.90 -1.43 113.55 118.10 3fyi h SER 201 Ca 0.20 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 3fyi h SER 201 Cb 0.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 3fyi h SER 201 CO -0.40 0.85 0.05 0.40 -1.14 0.00 0.00 176.83 176.59 3fyi h ILE 202 N 0.84 1.23 -0.59 3.27 2.04 -0.81 0.80 117.51 124.29 3fyi h ILE 202 Ca 0.19 -0.78 0.05 0.00 1.00 0.00 0.00 64.86 65.33 3fyi h ILE 202 Cb 0.30 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3fyi h ILE 202 CO -0.00 0.25 0.32 -0.07 0.00 0.00 0.00 178.15 178.64 3fyi h LEU 203 N 0.26 0.47 -0.18 1.44 3.38 -1.13 -0.40 115.31 119.14 3fyi h LEU 203 Ca 0.08 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3fyi h LEU 203 Cb 0.33 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3fyi h LEU 203 CO 0.00 0.31 -0.05 1.23 0.09 0.00 0.00 178.44 180.03 3fyi h GLY 204 N 0.60 0.13 1.23 0.83 0.00 -1.06 -1.89 103.07 102.90 3fyi h GLY 204 Ca 0.26 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.62 3fyi h GLY 204 CO -0.17 -0.07 0.30 0.00 0.00 0.00 0.00 176.54 176.60 3fyi h ALA 205 N 1.17 1.24 0.17 3.60 0.00 -0.31 0.39 119.26 125.51 3fyi h ALA 205 Ca 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fyi h ALA 205 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fyi h ALA 205 CO -0.19 0.57 -0.08 0.82 0.00 0.00 0.00 179.25 180.37 3fyi h ILE 206 N 0.99 0.88 -0.33 0.00 2.04 -0.87 -1.43 117.51 118.79 3fyi h ILE 206 Ca 0.24 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.97 3fyi h ILE 206 Cb 0.14 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 3fyi h ILE 206 CO -0.03 0.05 -0.18 0.78 0.00 0.00 0.00 178.15 178.77 3fyi h ASN 207 N -0.32 -0.61 -0.69 1.72 2.35 -1.09 -1.82 115.58 115.12 3fyi h ASN 207 Ca -0.02 0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3fyi h ASN 207 Cb 0.25 0.32 -0.03 0.00 0.05 0.00 0.00 38.32 38.91 3fyi h ASN 207 CO 0.04 -0.22 0.43 0.24 -1.65 0.00 0.00 177.43 176.27 3fyi h MET 208 N -0.14 0.92 -0.19 0.81 2.86 -0.75 -1.41 114.93 117.04 3fyi h MET 208 Ca 0.17 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 3fyi h MET 208 Cb 0.39 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3fyi h MET 208 CO -0.41 0.64 -0.09 0.82 1.06 0.00 0.00 176.91 178.93 3fyi h ILE 209 N 0.94 1.31 -0.45 -1.22 2.04 -1.13 -1.66 117.51 117.34 3fyi h ILE 209 Ca 0.25 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 3fyi h ILE 209 Cb -0.06 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3fyi h ILE 209 CO -0.05 0.35 0.19 0.74 0.00 0.00 0.00 178.15 179.38 3fyi h THR 210 N 0.08 1.20 -0.14 -0.27 2.02 -1.23 -1.77 112.91 112.80 3fyi h THR 210 Ca 0.04 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.61 3fyi h THR 210 Cb 0.58 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3fyi h THR 210 CO 0.03 0.23 0.08 0.74 0.37 0.00 0.00 175.52 176.96 3fyi h THR 211 N 0.58 1.10 -0.66 3.16 2.02 -1.29 -0.96 112.91 116.86 3fyi h THR 211 Ca 0.15 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3fyi h THR 211 Cb 0.18 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3fyi h THR 211 CO -0.01 0.09 0.30 0.15 0.37 0.00 0.00 175.52 176.42 3fyi h PHE 212 N 0.13 0.94 0.08 3.16 3.04 -1.17 0.49 116.94 123.61 3fyi h PHE 212 Ca 0.05 -0.04 -0.30 0.00 3.98 0.00 0.00 57.97 61.66 3fyi h PHE 212 Cb 0.08 -0.29 -0.02 0.00 2.56 0.00 0.00 35.95 38.28 3fyi h PHE 212 CO -0.04 0.69 -1.53 -0.07 -2.02 0.00 0.00 178.31 175.35 3fyi h LEU 213 N 0.93 0.28 0.00 0.59 3.38 -1.26 -3.41 115.31 115.83 3fyi h LEU 213 Ca 0.23 -0.41 -0.35 0.00 0.09 0.00 0.00 57.88 57.44 3fyi h LEU 213 Cb 0.12 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3fyi h LEU 213 CO -0.03 1.34 -2.33 0.59 0.09 0.00 0.00 178.44 178.11 3fyi n ASN 214 N -3.37 1.43 -1.25 -0.43 3.02 -0.37 -4.74 115.26 109.54 3fyi n ASN 214 Ca -0.15 -0.08 0.02 0.00 -0.03 0.00 0.00 54.58 54.34 3fyi n ASN 214 Cb 1.03 0.16 0.26 0.00 -0.61 0.00 0.00 39.78 40.63 3fyi n ASN 214 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3fyi n MET 215 N -2.99 2.94 -1.49 3.52 2.81 0.16 -4.99 117.12 117.07 3fyi n MET 215 Ca -0.38 -2.99 -0.33 0.00 -1.81 0.00 0.00 57.70 52.20 3fyi n MET 215 Cb 1.01 -1.95 0.08 0.00 -0.71 0.00 0.00 33.22 31.66 3fyi n MET 215 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3fyi s ARG 216 N -2.96 2.39 0.52 0.03 0.52 -1.25 -3.77 118.95 114.42 3fyi s ARG 216 Ca 0.46 1.42 -0.20 0.00 -0.52 0.00 0.00 55.73 56.89 3fyi s ARG 216 Cb 0.38 -1.90 -0.06 0.00 0.52 0.00 0.00 34.95 33.89 3fyi s ARG 216 CO 0.08 -1.58 1.13 0.00 0.02 0.00 0.00 175.30 174.96 3fyi s ALA 217 N -2.43 2.79 0.28 2.13 0.00 -0.08 -4.91 121.76 119.53 3fyi s ALA 217 Ca 0.67 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 53.17 3fyi s ALA 217 Cb -0.22 -3.36 -0.13 0.00 0.00 0.00 0.00 23.12 19.42 3fyi s ALA 217 CO 0.47 -0.70 1.45 -2.30 0.00 0.00 0.00 175.76 174.68 3fyi n PRO 218 N -1.04 2.27 0.00 0.00 -0.02 -1.26 -1.00 135.00 133.95 3fyi n PRO 218 Ca 0.10 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3fyi n PRO 218 Cb 0.50 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 3fyi n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fyi n GLY 219 N 1.89 2.74 3.57 -1.23 0.00 -1.26 -4.97 105.19 105.94 3fyi n GLY 219 Ca 0.09 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 3fyi n GLY 219 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fyi s MET 220 N 0.00 2.49 0.71 1.61 0.00 -0.17 -4.94 119.30 119.00 3fyi s MET 220 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 55.69 54.97 3fyi s MET 220 Cb 0.00 -5.12 0.02 0.00 0.00 0.00 0.00 34.83 29.72 3fyi s MET 220 CO 0.00 -3.66 1.08 -0.08 0.00 0.00 0.00 175.02 172.37 3fyi s THR 221 N 10.63 3.64 0.50 10.11 -1.32 -1.26 -4.72 115.64 133.22 3fyi s THR 221 Ca 0.70 0.53 0.15 0.00 -1.21 0.00 0.00 61.69 61.87 3fyi s THR 221 Cb -0.05 -3.46 0.25 0.00 -1.51 0.00 0.00 72.50 67.73 3fyi s THR 221 CO 0.05 -0.70 2.11 -0.03 -2.21 0.00 0.00 174.62 173.85 3fyi h MET 222 N -0.69 0.01 -0.16 7.08 4.05 -1.98 0.72 114.93 123.97 3fyi h MET 222 Ca -0.45 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 3fyi h MET 222 Cb 1.24 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.04 3fyi h MET 222 CO 0.62 0.05 0.00 0.72 0.23 0.00 0.00 176.91 178.53 3fyi n HIS 223 N -4.49 0.21 0.11 1.39 8.25 -1.26 -3.42 115.22 116.01 3fyi n HIS 223 Ca -0.03 -0.11 0.01 0.00 -0.26 0.00 0.00 57.72 57.34 3fyi n HIS 223 Cb 0.12 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.23 3fyi n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fyi n LYS 224 N -0.02 3.45 -2.11 -0.41 4.76 0.22 -5.03 118.16 119.03 3fyi n LYS 224 Ca 0.09 -0.27 -0.42 0.00 -2.87 0.00 0.00 58.31 54.85 3fyi n LYS 224 Cb 0.17 -0.79 -0.03 0.00 -1.84 0.00 0.00 35.03 32.55 3fyi n LYS 224 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fyi s VAL 225 N -0.81 3.04 0.61 -0.18 1.01 -1.06 -4.90 120.40 118.10 3fyi s VAL 225 Ca 0.02 0.79 -0.19 0.00 0.00 0.00 0.00 61.98 62.60 3fyi s VAL 225 Cb 0.02 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 3fyi s VAL 225 CO 0.07 0.09 1.32 -2.84 0.00 0.00 0.00 175.10 173.74 3fyi s PRO 226 N 0.53 2.74 0.34 2.72 0.02 -1.26 -4.82 135.00 135.27 3fyi s PRO 226 Ca 0.63 2.13 0.07 0.00 0.02 0.00 0.00 61.00 63.85 3fyi s PRO 226 Cb -0.39 -1.98 0.75 0.00 0.02 0.00 0.00 34.50 32.90 3fyi s PRO 226 CO 0.35 -1.47 1.86 -0.07 -0.33 0.00 0.00 177.00 177.33 3fyi h LEU 227 N 0.85 0.73 -0.84 -5.54 3.38 -1.94 -1.71 115.31 110.24 3fyi h LEU 227 Ca -0.51 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3fyi h LEU 227 Cb 1.33 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 3fyi h LEU 227 CO 0.54 0.37 0.53 0.15 0.09 0.00 0.00 178.44 180.13 3fyi h PHE 228 N 0.77 1.07 -0.45 1.13 3.57 -1.92 0.47 116.94 121.58 3fyi h PHE 228 Ca 0.47 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.88 3fyi h PHE 228 Cb 0.67 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 3fyi h PHE 228 CO -0.00 0.69 -0.12 0.00 -2.23 0.00 0.00 178.31 176.65 3fyi h ALA 229 N 1.29 0.94 -0.91 2.41 0.00 -1.70 -1.99 119.26 119.30 3fyi h ALA 229 Ca 0.30 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fyi h ALA 229 Cb -0.10 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3fyi h ALA 229 CO -0.06 0.62 0.54 -1.49 0.00 0.00 0.00 179.25 178.86 3fyi h TRP 230 N 0.75 1.21 -0.60 0.00 4.06 -0.95 -2.07 115.95 118.35 3fyi h TRP 230 Ca 0.12 -0.01 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 3fyi h TRP 230 Cb 0.62 -0.40 -0.02 0.00 -1.00 0.00 0.00 29.16 28.36 3fyi h TRP 230 CO 0.03 0.81 0.06 0.66 -3.56 0.00 0.00 178.44 176.45 3fyi h SER 231 N 1.26 0.97 -0.03 -3.49 4.64 -0.48 -0.91 113.55 115.51 3fyi h SER 231 Ca 0.33 -0.24 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 3fyi h SER 231 Cb -0.03 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 3fyi h SER 231 CO -0.06 0.99 -0.41 0.40 -0.87 0.00 0.00 176.83 176.88 3fyi h ILE 232 N 0.94 1.30 0.20 0.95 1.08 -1.29 -1.75 117.51 118.94 3fyi h ILE 232 Ca 0.18 -1.58 -0.01 0.00 -0.39 0.00 0.00 64.86 63.06 3fyi h ILE 232 Cb 0.46 1.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 3fyi h ILE 232 CO 0.02 0.50 -0.10 0.15 -0.69 0.00 0.00 178.15 178.03 3fyi h PHE 233 N 0.45 -0.25 -0.52 1.37 3.57 -1.00 -0.61 116.94 119.95 3fyi h PHE 233 Ca 0.04 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3fyi h PHE 233 Cb 0.91 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 3fyi h PHE 233 CO 0.04 0.11 0.24 0.28 -2.23 0.00 0.00 178.31 176.74 3fyi h VAL 234 N -0.66 0.90 -0.58 1.41 2.07 -1.22 -2.47 116.25 115.70 3fyi h VAL 234 Ca -0.03 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3fyi h VAL 234 Cb 0.47 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 3fyi h VAL 234 CO 0.05 0.08 0.23 0.74 0.02 0.00 0.00 177.57 178.69 3fyi h THR 235 N 0.46 0.83 -0.83 2.57 2.02 -1.28 -2.27 112.91 114.40 3fyi h THR 235 Ca 0.24 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.30 3fyi h THR 235 Cb 0.20 0.36 -0.05 0.00 -1.74 0.00 0.00 68.15 66.92 3fyi h THR 235 CO -0.20 0.08 0.55 0.00 0.37 0.00 0.00 175.52 176.32 3fyi h ALA 236 N 1.37 1.48 -0.53 6.16 0.00 -0.67 -1.38 119.26 125.70 3fyi h ALA 236 Ca 0.28 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3fyi h ALA 236 Cb 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fyi h ALA 236 CO -0.26 0.45 -0.10 -1.49 0.00 0.00 0.00 179.25 177.85 3fyi h TRP 237 N 1.04 1.11 -0.78 0.00 4.06 -1.03 -2.71 115.95 117.64 3fyi h TRP 237 Ca 0.33 -0.23 -0.01 0.00 2.06 0.00 0.00 58.89 61.04 3fyi h TRP 237 Cb 0.01 -0.28 -0.04 0.00 -1.00 0.00 0.00 29.16 27.85 3fyi h TRP 237 CO -0.00 1.04 0.45 -0.07 -3.56 0.00 0.00 178.44 176.30 3fyi h LEU 238 N 0.87 0.95 -0.41 -4.49 3.38 -0.87 -2.62 115.31 112.12 3fyi h LEU 238 Ca 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3fyi h LEU 238 Cb 0.66 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3fyi h LEU 238 CO 0.05 0.75 0.15 0.40 0.09 0.00 0.00 178.44 179.88 3fyi h ILE 239 N 1.08 1.21 -0.33 1.22 2.04 -1.12 -0.47 117.51 121.14 3fyi h ILE 239 Ca 0.28 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3fyi h ILE 239 Cb -0.00 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3fyi h ILE 239 CO -0.05 0.24 0.02 -0.07 0.00 0.00 0.00 178.15 178.29 3fyi h LEU 240 N 0.52 0.47 0.13 1.44 4.07 -1.16 -0.77 115.31 120.01 3fyi h LEU 240 Ca 0.13 -0.08 -0.22 0.00 0.08 0.00 0.00 57.88 57.80 3fyi h LEU 240 Cb 0.22 -0.12 0.01 0.00 1.08 0.00 0.00 40.66 41.85 3fyi h LEU 240 CO -0.01 0.52 -1.04 0.25 -1.08 0.00 0.00 178.44 177.08 3fyi h LEU 241 N 0.49 0.44 0.04 1.67 6.46 -1.42 -3.40 115.31 119.58 3fyi h LEU 241 Ca 0.11 -0.91 -0.18 0.00 -0.12 0.00 0.00 57.88 56.77 3fyi h LEU 241 Cb 0.29 -0.14 0.02 0.00 -0.73 0.00 0.00 40.66 40.09 3fyi h LEU 241 CO 0.01 1.48 -0.74 0.00 -0.62 0.00 0.00 178.44 178.57 3fyi h ALA 242 N 0.03 0.04 -0.52 1.25 0.00 -0.98 -3.34 119.26 115.73 3fyi h ALA 242 Ca -0.20 -0.62 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 3fyi h ALA 242 Cb 1.69 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 3fyi h ALA 242 CO 0.12 0.41 -0.06 -0.07 0.00 0.00 0.00 179.25 179.65 3fyi h LEU 243 N -0.08 0.91 -1.23 0.00 -0.00 -1.35 -2.29 115.31 111.27 3fyi h LEU 243 Ca -0.10 -0.27 0.02 0.00 -0.00 0.00 0.00 57.88 57.52 3fyi h LEU 243 Cb 1.47 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 41.84 3fyi h LEU 243 CO 0.14 1.01 0.52 -0.65 -0.00 0.00 0.00 178.44 179.46 3fyi h PRO 244 N 0.84 1.01 -0.54 1.13 0.11 -1.77 -0.69 132.00 132.09 3fyi h PRO 244 Ca 0.15 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3fyi h PRO 244 Cb 0.58 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 3fyi h PRO 244 CO 0.04 0.67 0.30 0.28 -0.21 0.00 0.00 178.00 179.08 3fyi h VAL 245 N 1.04 1.18 -0.80 3.15 2.07 -1.59 -2.03 116.25 119.26 3fyi h VAL 245 Ca 0.30 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3fyi h VAL 245 Cb -0.07 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3fyi h VAL 245 CO -0.07 0.19 0.47 0.25 0.02 0.00 0.00 177.57 178.43 3fyi h LEU 246 N 0.73 0.97 -1.34 2.57 5.85 -1.16 -1.96 115.31 120.97 3fyi h LEU 246 Ca 0.19 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3fyi h LEU 246 Cb 0.04 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3fyi h LEU 246 CO -0.03 0.76 0.49 0.00 -0.34 0.00 0.00 178.44 179.32 3fyi h ALA 247 N 1.25 1.64 0.17 1.25 0.00 -0.62 -1.63 119.26 121.32 3fyi h ALA 247 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3fyi h ALA 247 Cb -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3fyi h ALA 247 CO -0.05 0.25 -0.08 0.78 0.00 0.00 0.00 179.25 180.15 3fyi h GLY 248 N 0.82 -0.23 -0.39 0.00 0.00 -0.87 -2.30 103.07 100.10 3fyi h GLY 248 Ca 0.31 0.09 0.15 0.00 0.00 0.00 0.00 47.33 47.87 3fyi h GLY 248 CO -0.10 -0.08 -0.14 0.00 0.00 0.00 0.00 176.54 176.22 3fyi h ALA 249 N 0.06 0.52 0.00 3.60 0.00 -1.07 -1.37 119.26 121.00 3fyi h ALA 249 Ca -0.02 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3fyi h ALA 249 Cb 0.48 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3fyi h ALA 249 CO 0.04 -0.42 -0.48 -0.84 0.00 0.00 0.00 179.25 177.55 3fyi h ILE 250 N 0.02 0.30 -0.31 0.00 3.07 -1.36 -2.82 117.51 116.40 3fyi h ILE 250 Ca 0.35 -1.45 -0.14 0.00 1.55 0.00 0.00 64.86 65.17 3fyi h ILE 250 Cb 0.55 2.03 -0.01 0.00 -0.27 0.00 0.00 36.82 39.12 3fyi h ILE 250 CO -0.71 0.17 -0.38 0.74 -1.05 0.00 0.00 178.15 176.92 3fyi h THR 251 N 0.00 1.29 -0.21 0.16 2.02 -0.86 -1.65 112.91 113.65 3fyi h THR 251 Ca -0.02 -1.55 -0.03 0.00 0.77 0.00 0.00 66.41 65.57 3fyi h THR 251 Cb 1.17 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 3fyi h THR 251 CO 0.02 0.50 -0.02 0.24 0.37 0.00 0.00 175.52 176.64 3fyi h MET 252 N 0.61 0.32 -0.37 6.66 2.86 -1.15 0.61 114.93 124.47 3fyi h MET 252 Ca 0.05 -0.05 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 3fyi h MET 252 Cb 0.93 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3fyi h MET 252 CO 0.08 0.36 -0.31 -0.07 1.06 0.00 0.00 176.91 178.04 3fyi h LEU 253 N 0.31 0.91 -1.03 1.22 3.38 -1.37 -1.95 115.31 116.78 3fyi h LEU 253 Ca 0.07 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 3fyi h LEU 253 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3fyi h LEU 253 CO 0.01 1.17 -0.12 0.25 0.09 0.00 0.00 178.44 179.84 3fyi h LEU 254 N 0.67 0.54 0.04 1.67 5.85 -0.26 -1.60 115.31 122.20 3fyi h LEU 254 Ca 0.07 -0.14 -0.27 0.00 0.84 0.00 0.00 57.88 58.37 3fyi h LEU 254 Cb 0.89 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.79 3fyi h LEU 254 CO 0.08 0.69 -1.17 0.71 -0.34 0.00 0.00 178.44 178.42 3fyi h THR 255 N 0.51 1.41 -0.50 1.05 1.35 -0.94 -1.47 112.91 114.32 3fyi h THR 255 Ca 0.09 -2.71 0.01 0.00 -0.55 0.00 0.00 66.41 63.26 3fyi h THR 255 Cb 0.51 2.73 -0.03 0.00 -1.73 0.00 0.00 68.15 69.64 3fyi h THR 255 CO 0.03 0.80 0.33 0.44 -0.25 0.00 0.00 175.52 176.87 3fyi h ASP 256 N 0.17 0.54 0.39 5.36 5.19 -1.26 0.14 116.42 126.96 3fyi h ASP 256 Ca -0.14 -0.01 -0.31 0.00 -0.62 0.00 0.00 57.03 55.95 3fyi h ASP 256 Cb 1.85 -0.13 0.03 0.00 0.18 0.00 0.00 39.33 41.25 3fyi h ASP 256 CO 0.20 0.39 -1.39 0.03 -3.12 0.00 0.00 179.24 175.35 3fyi h ARG 257 N 0.64 0.45 0.00 3.56 3.08 -1.21 -3.42 114.38 117.49 3fyi h ARG 257 Ca 0.19 -0.76 0.00 0.00 0.07 0.00 0.00 59.98 59.47 3fyi h ARG 257 Cb -0.02 0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3fyi h ARG 257 CO -0.04 1.36 -0.96 0.09 -1.07 0.00 0.00 179.97 179.35 3fyi n ASN 258 N -3.66 4.79 -1.15 7.04 3.02 -0.56 -4.86 115.26 119.89 3fyi n ASN 258 Ca -0.14 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.43 3fyi n ASN 258 Cb 1.07 0.80 0.13 0.00 -0.61 0.00 0.00 39.78 41.17 3fyi n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3fyi n PHE 259 N -1.60 0.40 -0.76 3.10 3.72 0.47 -5.01 117.46 117.78 3fyi n PHE 259 Ca 0.00 -1.35 0.00 0.00 -0.05 0.00 0.00 57.45 56.05 3fyi n PHE 259 Cb 0.16 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 3fyi n PHE 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fyi n GLY 260 N -0.60 0.61 3.74 1.37 0.00 -1.05 -4.89 105.19 104.38 3fyi n GLY 260 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3fyi n GLY 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fyi s THR 261 N -2.69 2.65 -0.29 2.61 -4.23 -1.16 -4.99 115.64 107.53 3fyi s THR 261 Ca 0.00 0.21 0.20 0.00 -1.18 0.00 0.00 61.69 60.92 3fyi s THR 261 Cb 0.00 -2.78 0.48 0.00 1.34 0.00 0.00 72.50 71.54 3fyi s THR 261 CO 0.00 -0.27 1.06 0.35 -0.54 0.00 0.00 174.62 175.21 3fyi n THR 262 N -3.80 1.10 -0.13 3.99 -2.24 -1.26 -4.33 114.28 107.61 3fyi n THR 262 Ca 0.07 -2.90 0.09 0.00 -2.27 0.00 0.00 64.05 59.04 3fyi n THR 262 Cb 0.56 1.03 0.43 0.00 -2.10 0.00 0.00 70.33 70.25 3fyi n THR 262 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3fyi h PHE 263 N 2.73 0.59 0.00 4.78 0.04 -1.94 -3.03 116.94 120.10 3fyi h PHE 263 Ca -0.13 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3fyi h PHE 263 Cb 1.23 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.19 3fyi h PHE 263 CO 0.48 0.29 -0.07 1.19 -0.60 0.00 0.00 178.31 179.60 3fyi n PHE 264 N -4.48 0.00 -3.87 -0.55 3.72 -1.26 -2.26 117.46 108.76 3fyi n PHE 264 Ca 0.10 -0.65 -0.36 0.00 -0.05 0.00 0.00 57.45 56.50 3fyi n PHE 264 Cb 0.31 -0.10 -0.13 0.00 -0.94 0.00 0.00 39.48 38.61 3fyi n PHE 264 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3fyi s GLN 265 N -1.75 2.83 0.47 -1.08 -1.52 -1.15 -3.71 119.66 113.75 3fyi s GLN 265 Ca 0.16 -1.01 0.17 0.00 -1.95 0.00 0.00 55.36 52.74 3fyi s GLN 265 Cb 0.14 -3.19 1.14 0.00 -0.22 0.00 0.00 33.01 30.89 3fyi s GLN 265 CO 0.02 -0.47 2.00 -1.35 -0.25 0.00 0.00 175.29 175.23 3fyi h PRO 266 N 8.10 0.26 0.00 2.91 0.11 -1.86 0.20 132.00 141.72 3fyi h PRO 266 Ca -0.29 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3fyi h PRO 266 Cb 1.10 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fyi h PRO 266 CO 0.58 0.17 -0.04 0.66 -0.21 0.00 0.00 178.00 179.16 3fyi h SER 267 N 0.27 0.00 -0.40 -2.05 4.64 -1.94 0.17 113.55 114.24 3fyi h SER 267 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3fyi h SER 267 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3fyi h SER 267 CO -0.05 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 3fyi n GLY 268 N -1.28 1.81 0.87 -0.77 0.00 -0.65 -4.95 105.19 100.22 3fyi n GLY 268 Ca -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3fyi n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyi n GLY 269 N 1.27 0.77 3.94 -0.02 0.00 0.05 -4.94 105.19 106.26 3fyi n GLY 269 Ca 0.18 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 3fyi n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fyi s GLY 270 N -2.11 1.75 -0.13 -0.02 0.00 0.62 -4.90 107.32 102.53 3fyi s GLY 270 Ca 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.41 3fyi s GLY 270 CO 0.00 -0.61 0.09 -0.35 0.00 0.00 0.00 173.10 172.23 3fyi s ASP 271 N -4.80 1.91 0.52 1.64 2.15 -0.96 -3.67 116.67 113.46 3fyi s ASP 271 Ca 0.70 -0.37 0.18 0.00 0.43 0.00 0.00 52.55 53.49 3fyi s ASP 271 Cb -0.05 -0.17 1.29 0.00 -0.30 0.00 0.00 42.92 43.68 3fyi s ASP 271 CO 0.50 -0.32 2.12 -0.65 -0.17 0.00 0.00 175.17 176.65 3fyi h PRO 272 N 8.42 0.00 0.00 4.34 0.11 -1.84 -1.67 132.00 141.37 3fyi h PRO 272 Ca -0.14 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 3fyi h PRO 272 Cb 1.14 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3fyi h PRO 272 CO 0.24 0.00 -0.12 0.28 -0.21 0.00 0.00 178.00 178.20 3fyi h VAL 273 N 0.00 0.46 -0.61 3.15 2.07 -1.92 -2.51 116.25 116.89 3fyi h VAL 273 Ca 0.05 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3fyi h VAL 273 Cb 0.20 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 3fyi h VAL 273 CO -0.00 0.11 0.30 0.25 0.02 0.00 0.00 177.57 178.26 3fyi h LEU 274 N 0.00 0.79 -0.86 2.57 5.85 -1.67 -2.49 115.31 119.50 3fyi h LEU 274 Ca -0.00 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3fyi h LEU 274 Cb 0.40 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3fyi h LEU 274 CO 0.02 0.69 0.54 0.22 -0.34 0.00 0.00 178.44 179.56 3fyi h TYR 275 N 0.83 1.00 -0.80 1.25 3.20 -1.56 -2.42 116.97 118.46 3fyi h TYR 275 Ca 0.21 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.13 3fyi h TYR 275 Cb 0.10 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 3fyi h TYR 275 CO -0.00 0.51 0.52 1.96 -1.64 0.00 0.00 178.16 179.51 3fyi h GLN 276 N 0.99 1.02 -0.49 1.82 4.20 -1.46 0.27 115.11 121.46 3fyi h GLN 276 Ca 0.37 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.99 3fyi h GLN 276 Cb 0.15 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3fyi h GLN 276 CO -0.17 0.67 0.18 0.45 -0.67 0.00 0.00 178.83 179.30 3fyi h HIS 277 N 1.05 0.77 -0.11 2.96 3.86 -1.08 0.32 115.15 122.91 3fyi h HIS 277 Ca 0.30 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.40 3fyi h HIS 277 Cb -0.07 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 3fyi h HIS 277 CO -0.02 0.65 -0.12 0.82 0.86 0.00 0.00 177.93 180.12 3fyi h ILE 278 N 0.66 1.36 0.00 2.45 2.04 -1.08 -1.49 117.51 121.45 3fyi h ILE 278 Ca 0.16 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.75 3fyi h ILE 278 Cb 0.22 1.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3fyi h ILE 278 CO -0.01 0.37 -0.14 0.25 0.00 0.00 0.00 178.15 178.63 3fyi h LEU 279 N -0.13 -0.39 -0.83 1.44 7.12 -0.45 -2.82 115.31 119.25 3fyi h LEU 279 Ca 0.02 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.08 3fyi h LEU 279 Cb 0.65 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 3fyi h LEU 279 CO 0.03 -0.19 0.00 -0.50 -0.13 0.00 0.00 178.44 177.65 3fyi h TRP 280 N -0.23 0.00 -0.32 1.25 4.06 -0.95 0.21 115.95 119.98 3fyi h TRP 280 Ca 0.05 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 3fyi h TRP 280 Cb 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 3fyi h TRP 280 CO -0.19 0.00 -0.18 0.35 -3.56 0.00 0.00 178.44 174.86 3fyi h PHE 281 N 0.00 0.63 0.01 0.49 3.04 -1.02 -1.24 116.94 118.85 3fyi h PHE 281 Ca 0.00 -0.12 -0.26 0.00 3.98 0.00 0.00 57.97 61.57 3fyi h PHE 281 Cb 0.56 -0.16 0.02 0.00 2.56 0.00 0.00 35.95 38.93 3fyi h PHE 281 CO 0.00 0.72 -1.02 0.35 -2.02 0.00 0.00 178.31 176.34 3fyi h PHE 282 N 0.52 1.02 -0.56 0.41 3.04 -1.25 -3.40 116.94 116.72 3fyi h PHE 282 Ca 0.08 -0.56 -0.11 0.00 3.98 0.00 0.00 57.97 61.37 3fyi h PHE 282 Cb 0.60 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.98 3fyi h PHE 282 CO 0.02 1.40 -0.06 0.78 -2.02 0.00 0.00 178.31 178.43 3fyi h GLY 283 N 0.35 1.12 0.88 2.40 0.00 -0.03 -1.24 103.07 106.54 3fyi h GLY 283 Ca -0.13 -0.87 -0.04 0.00 0.00 0.00 0.00 47.33 46.30 3fyi h GLY 283 CO 0.20 0.80 -0.34 0.84 0.00 0.00 0.00 176.54 178.03 3fyi h HIS 284 N 0.92 -0.89 -0.96 5.60 -0.00 -1.48 -3.17 115.15 115.17 3fyi h HIS 284 Ca 0.15 -0.02 0.27 0.00 -0.00 0.00 0.00 60.37 60.77 3fyi h HIS 284 Cb 0.63 0.30 -0.17 0.00 -0.00 0.00 0.00 27.41 28.16 3fyi h HIS 284 CO 0.04 -0.53 0.11 -1.35 -0.00 0.00 0.00 177.93 176.21 3fyi h PRO 285 N -1.10 0.04 -0.93 5.26 0.11 -1.61 -0.61 132.00 133.16 3fyi h PRO 285 Ca -0.10 -0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.29 3fyi h PRO 285 Cb 0.76 -0.01 -0.16 0.00 0.11 0.00 0.00 31.00 31.71 3fyi h PRO 285 CO 0.16 0.03 0.28 1.49 -0.21 0.00 0.00 178.00 179.75 3fyi h GLU 286 N 0.05 0.16 -0.01 1.05 4.57 -1.20 0.17 114.58 119.36 3fyi h GLU 286 Ca 0.61 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.63 3fyi h GLU 286 Cb 1.29 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3fyi h GLU 286 CO -0.85 0.10 -0.69 -0.39 -1.18 0.00 0.00 179.01 176.00 3fyi h VAL 287 N 0.16 1.47 0.02 0.32 -1.51 -1.12 -1.94 116.25 113.65 3fyi h VAL 287 Ca 0.62 -2.32 -0.21 0.00 -1.23 0.00 0.00 66.70 63.56 3fyi h VAL 287 Cb 1.35 2.24 -0.01 0.00 -2.13 0.00 0.00 31.29 32.75 3fyi h VAL 287 CO -0.71 0.67 -0.94 1.88 -1.23 0.00 0.00 177.57 177.24 3fyi h TYR 288 N 0.04 0.37 -0.84 5.19 0.05 -1.13 -2.61 116.97 118.04 3fyi h TYR 288 Ca -0.01 -0.21 0.05 0.00 0.05 0.00 0.00 58.73 58.61 3fyi h TYR 288 Cb 1.23 -0.04 -0.05 0.00 1.01 0.00 0.00 36.73 38.88 3fyi h TYR 288 CO 0.01 1.05 0.55 0.82 -1.05 0.00 0.00 178.16 179.53 3fyi h ILE 289 N 0.13 1.08 0.07 -2.88 2.04 -0.54 0.28 117.51 117.68 3fyi h ILE 289 Ca -0.06 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3fyi h ILE 289 Cb 1.58 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3fyi h ILE 289 CO 0.15 0.18 -0.03 0.40 0.00 0.00 0.00 178.15 178.84 3fyi h ILE 290 N 0.97 1.15 0.00 -0.67 2.04 -1.28 -3.37 117.51 116.35 3fyi h ILE 290 Ca 0.35 -0.76 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 3fyi h ILE 290 Cb 0.15 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 3fyi h ILE 290 CO -0.12 0.19 -0.97 1.62 0.00 0.00 0.00 178.15 178.87 3fyi h VAL 291 N -0.43 0.30 -0.28 1.67 3.04 -1.23 -3.39 116.25 115.94 3fyi h VAL 291 Ca -0.01 -1.54 0.04 0.00 -1.01 0.00 0.00 66.70 64.19 3fyi h VAL 291 Cb 0.38 1.88 -0.04 0.00 -2.01 0.00 0.00 31.29 31.50 3fyi h VAL 291 CO 0.01 0.17 0.02 -0.07 -1.01 0.00 0.00 177.57 176.70 3fyi h LEU 292 N 0.00 -0.07 -1.71 3.16 3.38 -1.11 -1.56 115.31 117.40 3fyi h LEU 292 Ca -0.06 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3fyi h LEU 292 Cb 1.27 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.09 3fyi h LEU 292 CO 0.03 -0.00 0.24 -0.65 0.09 0.00 0.00 178.44 178.14 3fyi h PRO 293 N 0.11 0.37 -0.54 1.13 0.11 -1.78 -1.24 132.00 130.16 3fyi h PRO 293 Ca 0.13 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 3fyi h PRO 293 Cb 0.16 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.16 3fyi h PRO 293 CO -0.20 0.25 0.17 0.00 -0.21 0.00 0.00 178.00 178.00 3fyi h ALA 294 N 1.79 1.28 -0.24 -0.75 0.00 -1.57 -1.53 119.26 118.25 3fyi h ALA 294 Ca 0.14 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3fyi h ALA 294 Cb 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3fyi h ALA 294 CO -0.03 0.52 0.05 0.74 0.00 0.00 0.00 179.25 180.52 3fyi h PHE 295 N 0.79 0.09 -0.14 0.00 -1.00 -0.30 -0.41 116.94 115.98 3fyi h PHE 295 Ca 0.18 0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.02 3fyi h PHE 295 Cb 0.23 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.74 3fyi h PHE 295 CO 0.01 0.03 -0.13 0.78 -1.61 0.00 0.00 178.31 177.39 3fyi h GLY 296 N 0.14 -0.04 0.95 -1.45 0.00 -1.03 -1.98 103.07 99.67 3fyi h GLY 296 Ca 0.11 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.61 3fyi h GLY 296 CO -0.14 -0.14 0.31 -2.22 0.00 0.00 0.00 176.54 174.36 3fyi h ILE 297 N -0.16 1.10 -0.64 2.60 2.04 -1.15 -2.49 117.51 118.81 3fyi h ILE 297 Ca 0.09 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.76 3fyi h ILE 297 Cb 0.29 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 3fyi h ILE 297 CO -0.23 0.12 0.40 0.58 0.00 0.00 0.00 178.15 179.01 3fyi h VAL 298 N 0.64 1.09 -0.40 1.67 2.07 -0.83 -1.27 116.25 119.22 3fyi h VAL 298 Ca 0.19 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3fyi h VAL 298 Cb -0.04 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 3fyi h VAL 298 CO -0.06 0.14 0.22 0.28 0.02 0.00 0.00 177.57 178.17 3fyi h SER 299 N 0.79 0.34 -0.51 0.57 0.02 -1.06 -0.69 113.55 113.02 3fyi h SER 299 Ca 0.25 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 3fyi h SER 299 Cb 0.01 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 3fyi h SER 299 CO -0.10 0.25 0.17 0.45 -1.14 0.00 0.00 176.83 176.46 3fyi h HIS 300 N 0.45 0.80 -0.19 3.45 -0.00 -1.16 -2.48 115.15 116.02 3fyi h HIS 300 Ca 0.16 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.40 3fyi h HIS 300 Cb 0.04 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.21 3fyi h HIS 300 CO -0.08 0.69 -0.11 0.28 -0.00 0.00 0.00 177.93 178.70 3fyi h VAL 301 N 0.68 1.31 -0.52 2.45 2.07 -1.09 -2.17 116.25 118.99 3fyi h VAL 301 Ca 0.17 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 3fyi h VAL 301 Cb 0.25 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3fyi h VAL 301 CO -0.01 0.36 0.04 0.40 0.02 0.00 0.00 177.57 178.38 3fyi h ILE 302 N 0.10 1.26 -0.60 4.57 2.04 -1.17 -1.85 117.51 121.86 3fyi h ILE 302 Ca 0.04 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 64.88 3fyi h ILE 302 Cb 0.60 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 3fyi h ILE 302 CO 0.03 0.36 0.40 0.00 0.00 0.00 0.00 178.15 178.94 3fyi h ALA 303 N 0.96 0.77 0.13 1.87 0.00 -1.45 -0.41 119.26 121.13 3fyi h ALA 303 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3fyi h ALA 303 Cb 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fyi h ALA 303 CO 0.02 0.20 -0.06 1.15 0.00 0.00 0.00 179.25 180.56 3fyi h THR 304 N 0.82 0.88 0.00 0.00 2.02 -1.20 -2.12 112.91 113.31 3fyi h THR 304 Ca 0.22 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.35 3fyi h THR 304 Cb -0.09 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3fyi h THR 304 CO -0.05 0.01 -0.60 -0.26 0.37 0.00 0.00 175.52 174.99 3fyi h PHE 305 N -0.20 0.00 0.00 3.16 0.04 -1.27 -2.76 116.94 115.90 3fyi h PHE 305 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3fyi h PHE 305 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3fyi h PHE 305 CO -0.06 0.00 -0.24 0.00 -0.60 0.00 0.00 178.31 177.41 3fyi n ALA 306 N -1.91 2.79 -3.64 2.45 0.00 -0.17 -0.99 120.51 119.04 3fyi n ALA 306 Ca 0.03 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 3fyi n ALA 306 Cb 0.47 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.66 3fyi n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fyi n LYS 307 N -1.68 -6.44 -3.69 0.00 5.02 -0.87 -0.81 118.16 109.69 3fyi n LYS 307 Ca 0.06 0.74 -0.13 0.00 -2.02 0.00 0.00 58.31 56.96 3fyi n LYS 307 Cb 0.36 -5.65 -0.09 0.00 -0.02 0.00 0.00 35.03 29.64 3fyi n LYS 307 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3fyi s LYS 308 N -6.03 0.59 0.69 1.97 2.20 -0.85 -4.68 119.74 113.62 3fyi s LYS 308 Ca 0.31 0.77 -0.14 0.00 -0.36 0.00 0.00 55.97 56.54 3fyi s LYS 308 Cb -0.14 0.25 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 3fyi s LYS 308 CO 0.77 -0.09 1.12 -1.25 -0.36 0.00 0.00 175.35 175.54 3fyi s PRO 309 N 0.49 2.59 0.20 4.03 0.04 -1.26 -4.41 135.00 136.68 3fyi s PRO 309 Ca -0.02 1.42 -0.32 0.00 0.04 0.00 0.00 61.00 62.12 3fyi s PRO 309 Cb -0.04 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 3fyi s PRO 309 CO -0.02 -1.42 1.62 1.51 0.04 0.00 0.00 177.00 178.73 3fyi n ILE 310 N -2.65 0.22 -2.17 0.56 0.13 -1.26 -4.86 119.36 109.33 3fyi n ILE 310 Ca 0.11 -0.05 -0.42 0.00 -1.10 0.00 0.00 62.75 61.28 3fyi n ILE 310 Cb 0.52 -1.76 -0.03 0.00 -0.84 0.00 0.00 39.64 37.53 3fyi n ILE 310 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 3fyi s PHE 311 N 0.80 3.25 -0.78 9.51 2.19 -1.26 -4.08 117.98 127.61 3fyi s PHE 311 Ca 0.74 0.96 -0.00 0.00 0.33 0.00 0.00 56.93 58.97 3fyi s PHE 311 Cb -0.58 -3.68 -0.00 0.00 -1.31 0.00 0.00 43.02 37.45 3fyi s PHE 311 CO 0.38 -2.36 0.66 0.41 1.83 0.00 0.00 175.22 176.15 3fyi n GLY 312 N 3.45 -1.27 0.13 13.12 0.00 -1.26 -4.82 105.19 114.55 3fyi n GLY 312 Ca 0.11 0.53 -0.07 0.00 0.00 0.00 0.00 46.02 46.59 3fyi n GLY 312 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fyi h TYR 313 N 0.11 0.05 -0.23 1.61 5.03 -1.99 -2.05 116.97 119.50 3fyi h TYR 313 Ca -0.27 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 60.99 3fyi h TYR 313 Cb 1.17 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 39.47 3fyi h TYR 313 CO 0.21 -0.01 -0.10 -0.07 -1.32 0.00 0.00 178.16 176.88 3fyi h LEU 314 N 0.13 0.48 -1.29 2.82 3.38 -1.96 -2.18 115.31 116.70 3fyi h LEU 314 Ca 0.14 -0.40 0.13 0.00 0.09 0.00 0.00 57.88 57.84 3fyi h LEU 314 Cb 0.16 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3fyi h LEU 314 CO -0.20 0.77 0.56 -0.65 0.09 0.00 0.00 178.44 179.02 3fyi h PRO 315 N 0.19 0.69 -0.35 1.13 0.11 -1.93 -0.25 132.00 131.59 3fyi h PRO 315 Ca 0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3fyi h PRO 315 Cb 0.58 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3fyi h PRO 315 CO 0.03 0.46 0.18 0.52 -0.21 0.00 0.00 178.00 178.97 3fyi h MET 316 N 0.71 0.50 -0.48 1.05 2.86 -1.11 0.16 114.93 118.62 3fyi h MET 316 Ca 0.43 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 3fyi h MET 316 Cb 0.65 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3fyi h MET 316 CO -0.19 0.44 0.26 0.28 1.06 0.00 0.00 176.91 178.76 3fyi h VAL 317 N 0.43 1.17 -0.12 -2.22 2.07 -0.98 -2.35 116.25 114.25 3fyi h VAL 317 Ca 0.12 -0.43 -0.16 0.00 0.82 0.00 0.00 66.70 67.05 3fyi h VAL 317 Cb 0.10 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3fyi h VAL 317 CO -0.02 0.18 -0.62 1.88 0.02 0.00 0.00 177.57 179.01 3fyi h TYR 318 N 0.63 0.54 -0.41 1.57 0.05 -0.89 -1.74 116.97 116.73 3fyi h TYR 318 Ca 0.17 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3fyi h TYR 318 Cb 0.05 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 3fyi h TYR 318 CO -0.02 0.93 0.23 0.00 -1.05 0.00 0.00 178.16 178.25 3fyi h ALA 319 N 1.02 0.52 -0.80 3.88 0.00 -0.63 0.03 119.26 123.29 3fyi h ALA 319 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3fyi h ALA 319 Cb 1.16 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3fyi h ALA 319 CO 0.11 0.04 0.37 0.52 0.00 0.00 0.00 179.25 180.28 3fyi h MET 320 N 0.53 1.15 -0.40 0.00 2.86 -1.22 0.40 114.93 118.25 3fyi h MET 320 Ca 0.14 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3fyi h MET 320 Cb 0.05 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3fyi h MET 320 CO -0.02 0.90 -0.08 0.28 1.06 0.00 0.00 176.91 179.04 3fyi h VAL 321 N 1.14 1.27 -0.27 -2.22 2.07 -1.12 -1.43 116.25 115.70 3fyi h VAL 321 Ca 0.27 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.60 3fyi h VAL 321 Cb 0.14 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3fyi h VAL 321 CO -0.03 0.39 0.05 0.00 0.02 0.00 0.00 177.57 178.00 3fyi h ALA 322 N 0.85 0.35 -0.35 1.67 0.00 -0.56 -1.28 119.26 119.94 3fyi h ALA 322 Ca 0.10 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3fyi h ALA 322 Cb 0.60 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3fyi h ALA 322 CO 0.04 0.03 0.13 0.82 0.00 0.00 0.00 179.25 180.27 3fyi h ILE 323 N 0.26 0.92 -0.91 0.00 2.04 -0.97 0.68 117.51 119.53 3fyi h ILE 323 Ca 0.08 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3fyi h ILE 323 Cb 0.32 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 3fyi h ILE 323 CO 0.00 0.05 0.56 1.23 0.00 0.00 0.00 178.15 180.00 3fyi h GLY 324 N 0.29 1.40 0.22 5.37 0.00 -1.03 0.61 103.07 109.93 3fyi h GLY 324 Ca 0.16 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 3fyi h GLY 324 CO -0.15 0.23 -0.03 -2.08 0.00 0.00 0.00 176.54 174.51 3fyi h VAL 325 N 0.97 1.12 0.00 4.60 2.07 -0.90 -3.31 116.25 120.80 3fyi h VAL 325 Ca 0.41 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3fyi h VAL 325 Cb 0.27 1.98 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3fyi h VAL 325 CO -0.21 0.33 -0.03 -0.07 0.02 0.00 0.00 177.57 177.61 3fyi h LEU 326 N -0.87 0.00 0.00 2.57 3.38 -0.85 -2.48 115.31 117.06 3fyi h LEU 326 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fyi h LEU 326 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3fyi h LEU 326 CO 0.02 0.03 0.01 0.61 0.09 0.00 0.00 178.44 179.20 3fyi n GLY 327 N -1.31 -0.40 0.87 0.83 0.00 0.20 -1.59 105.19 103.79 3fyi n GLY 327 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3fyi n GLY 327 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fyi n PHE 328 N -1.40 0.00 -1.46 1.61 3.72 -0.93 -3.77 117.46 115.23 3fyi n PHE 328 Ca 0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 3fyi n PHE 328 Cb 0.01 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.65 3fyi n PHE 328 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3fyi n VAL 329 N 1.14 1.21 -0.13 -4.37 0.24 -0.62 -4.73 118.33 111.06 3fyi n VAL 329 Ca 0.15 -1.52 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 3fyi n VAL 329 Cb 0.56 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3fyi n VAL 329 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3fyi n VAL 330 N -0.87 0.08 -0.18 3.34 0.24 -1.25 -4.84 118.33 114.85 3fyi n VAL 330 Ca 0.10 -0.47 0.17 0.00 -2.04 0.00 0.00 64.34 62.11 3fyi n VAL 330 Cb 0.68 1.08 0.53 0.00 -1.47 0.00 0.00 33.84 34.66 3fyi n VAL 330 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3fyi h TRP 331 N 0.00 0.44 0.00 6.34 0.09 -1.85 -2.70 115.95 118.28 3fyi h TRP 331 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.99 3fyi h TRP 331 Cb 0.11 -0.14 0.00 0.00 0.08 0.00 0.00 29.16 29.21 3fyi h TRP 331 CO 0.00 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3fyi n ALA 332 N -2.54 2.54 0.68 0.11 0.00 -1.26 -2.12 120.51 117.92 3fyi n ALA 332 Ca 0.16 -0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.50 3fyi n ALA 332 Cb 0.61 -1.48 0.38 0.00 0.00 0.00 0.00 19.45 18.96 3fyi n ALA 332 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3fyi n HIS 333 N -1.09 0.00 1.38 0.00 1.44 -1.02 -0.38 115.22 115.54 3fyi n HIS 333 Ca 0.20 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.98 3fyi n HIS 333 Cb 0.14 -0.37 0.29 0.00 0.12 0.00 0.00 29.99 30.18 3fyi n HIS 333 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3fyi n HIS 334 N -1.37 0.22 -1.72 -1.40 8.25 -0.90 -4.19 115.22 114.10 3fyi n HIS 334 Ca 0.06 -0.11 0.01 0.00 -0.26 0.00 0.00 57.72 57.43 3fyi n HIS 334 Cb 0.15 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.28 3fyi n HIS 334 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3fyi n MET 335 N 0.06 0.24 0.12 -0.41 2.00 0.48 -4.89 117.12 114.72 3fyi n MET 335 Ca 0.12 -1.17 0.19 0.00 0.00 0.00 0.00 57.70 56.84 3fyi n MET 335 Cb 0.23 -0.65 0.76 0.00 0.00 0.00 0.00 33.22 33.56 3fyi n MET 335 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 3fyi h TYR 336 N 0.00 0.00 -0.40 2.03 0.05 -1.71 -1.41 116.97 115.54 3fyi h TYR 336 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3fyi h TYR 336 Cb 1.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.02 3fyi h TYR 336 CO 0.07 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.43 3fyi n THR 337 N -3.93 0.99 1.02 -2.88 -2.24 -1.26 -4.54 114.28 101.43 3fyi n THR 337 Ca 0.05 -0.99 0.13 0.00 -2.27 0.00 0.00 64.05 60.97 3fyi n THR 337 Cb 0.48 0.51 0.40 0.00 -2.10 0.00 0.00 70.33 69.63 3fyi n THR 337 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyi n ALA 338 N 0.68 3.05 0.00 6.98 0.00 -0.53 -4.90 120.51 125.80 3fyi n ALA 338 Ca 0.13 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3fyi n ALA 338 Cb 0.45 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3fyi n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fyi n GLY 339 N 1.49 1.89 3.77 0.00 0.00 -1.26 -5.02 105.19 106.06 3fyi n GLY 339 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3fyi n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fyi s LEU 340 N 0.00 4.31 0.94 0.99 1.43 -1.26 -5.02 118.68 120.06 3fyi s LEU 340 Ca 0.00 2.37 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 3fyi s LEU 340 Cb 0.00 -3.89 0.16 0.00 0.03 0.00 0.00 46.19 42.49 3fyi s LEU 340 CO 0.00 -0.53 1.09 -0.94 0.23 0.00 0.00 176.35 176.21 3fyi s SER 341 N -1.00 2.90 0.42 2.29 1.04 -1.26 -4.77 113.70 113.31 3fyi s SER 341 Ca 0.53 1.75 0.11 0.00 0.48 0.00 0.00 55.95 58.82 3fyi s SER 341 Cb -0.32 -2.36 0.95 0.00 0.10 0.00 0.00 66.02 64.38 3fyi s SER 341 CO 0.41 -3.04 1.99 0.25 0.98 0.00 0.00 173.24 173.83 3fyi h LEU 342 N -1.82 0.44 -0.10 2.42 5.85 -1.99 -1.46 115.31 118.65 3fyi h LEU 342 Ca -0.49 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.14 3fyi h LEU 342 Cb 1.28 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3fyi h LEU 342 CO 0.49 0.28 -0.29 0.74 -0.34 0.00 0.00 178.44 179.32 3fyi h THR 343 N 0.50 1.40 -0.22 1.05 2.02 -1.99 -1.92 112.91 113.74 3fyi h THR 343 Ca 0.26 -1.62 -0.00 0.00 0.77 0.00 0.00 66.41 65.81 3fyi h THR 343 Cb 0.36 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 3fyi h THR 343 CO -0.07 0.47 0.13 1.56 0.37 0.00 0.00 175.52 177.98 3fyi h GLN 344 N -0.08 0.30 -0.67 6.66 4.20 -1.87 -1.21 115.11 122.44 3fyi h GLN 344 Ca -0.01 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3fyi h GLN 344 Cb 0.91 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.58 3fyi h GLN 344 CO 0.06 0.25 0.40 1.96 -0.67 0.00 0.00 178.83 180.83 3fyi h GLN 345 N 0.27 0.74 -0.56 1.46 4.20 -1.28 -1.61 115.11 118.34 3fyi h GLN 345 Ca 0.08 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 3fyi h GLN 345 Cb 0.03 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3fyi h GLN 345 CO -0.01 0.49 0.09 0.77 -0.67 0.00 0.00 178.83 179.49 3fyi h SER 346 N 0.77 0.88 0.33 1.46 0.02 -1.18 -1.49 113.55 114.35 3fyi h SER 346 Ca 0.28 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3fyi h SER 346 Cb 0.09 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3fyi h SER 346 CO -0.14 0.92 -0.16 0.22 -1.14 0.00 0.00 176.83 176.53 3fyi h TYR 347 N 0.81 -0.41 -0.01 3.45 3.20 -0.90 -2.21 116.97 120.90 3fyi h TYR 347 Ca 0.17 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 3fyi h TYR 347 Cb 0.42 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3fyi h TYR 347 CO 0.03 -0.18 -0.20 0.74 -1.64 0.00 0.00 178.16 176.90 3fyi h PHE 348 N -0.57 0.02 -0.13 -3.82 0.04 -1.29 -0.73 116.94 110.47 3fyi h PHE 348 Ca -0.05 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3fyi h PHE 348 Cb 0.42 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3fyi h PHE 348 CO -0.02 0.22 0.07 1.98 -0.60 0.00 0.00 178.31 179.96 3fyi h MET 349 N 0.02 0.18 0.25 1.51 4.05 -1.22 -1.52 114.93 118.21 3fyi h MET 349 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3fyi h MET 349 Cb 0.37 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 3fyi h MET 349 CO 0.03 0.22 -0.26 0.52 0.23 0.00 0.00 176.91 177.64 3fyi h MET 350 N 0.10 -0.53 -0.84 0.39 2.86 -0.63 -2.02 114.93 114.27 3fyi h MET 350 Ca 0.05 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 3fyi h MET 350 Cb 0.09 0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.80 3fyi h MET 350 CO -0.01 -0.35 0.50 0.00 1.06 0.00 0.00 176.91 178.11 3fyi h ALA 351 N 0.09 1.17 -0.62 6.32 0.00 -1.19 -1.92 119.26 123.12 3fyi h ALA 351 Ca -0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3fyi h ALA 351 Cb 0.51 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3fyi h ALA 351 CO -0.06 0.17 0.22 1.15 0.00 0.00 0.00 179.25 180.73 3fyi h THR 352 N 0.86 1.24 -0.14 0.00 2.02 -1.15 -2.32 112.91 113.42 3fyi h THR 352 Ca 0.39 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 3fyi h THR 352 Cb 0.28 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3fyi h THR 352 CO -0.21 0.30 -0.18 0.24 0.37 0.00 0.00 175.52 176.04 3fyi h MET 353 N 0.88 0.24 0.29 6.66 2.86 -0.86 -2.79 114.93 122.21 3fyi h MET 353 Ca 0.20 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3fyi h MET 353 Cb 0.25 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3fyi h MET 353 CO -0.01 0.42 -0.14 0.28 1.06 0.00 0.00 176.91 178.52 3fyi h VAL 354 N 0.22 0.73 -0.11 -2.22 2.07 -0.93 -3.03 116.25 112.98 3fyi h VAL 354 Ca 0.04 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3fyi h VAL 354 Cb 0.45 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3fyi h VAL 354 CO 0.03 0.11 0.11 -0.29 0.02 0.00 0.00 177.57 177.56 3fyi h ILE 355 N -0.71 0.55 -0.49 4.57 2.10 -1.41 -1.70 117.51 120.42 3fyi h ILE 355 Ca -0.04 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.90 3fyi h ILE 355 Cb 0.48 0.91 -0.02 0.00 -1.09 0.00 0.00 36.82 37.10 3fyi h ILE 355 CO 0.06 0.00 0.31 0.00 -1.08 0.00 0.00 178.15 177.44 3fyi h ALA 356 N 1.87 1.62 0.61 0.18 0.00 -1.36 -3.08 119.26 119.09 3fyi h ALA 356 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3fyi h ALA 356 Cb 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3fyi h ALA 356 CO -0.00 0.34 -0.29 0.28 0.00 0.00 0.00 179.25 179.58 3fyi h VAL 357 N 0.67 0.00 0.00 0.00 2.07 -1.35 -0.45 116.25 117.19 3fyi h VAL 357 Ca 0.18 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.67 3fyi h VAL 357 Cb -0.05 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 3fyi h VAL 357 CO -0.04 0.00 -0.04 1.55 0.02 0.00 0.00 177.57 179.06 3fyi h PRO 358 N -0.83 0.00 0.49 1.57 0.13 -1.72 -1.48 132.00 130.16 3fyi h PRO 358 Ca -0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.02 3fyi h PRO 358 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 3fyi h PRO 358 CO 0.14 0.04 -0.24 1.15 -0.23 0.00 0.00 178.00 178.87 3fyi h THR 359 N 0.00 0.00 0.00 1.56 2.02 -1.45 -3.26 112.91 111.78 3fyi h THR 359 Ca -0.00 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 3fyi h THR 359 Cb 0.19 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3fyi h THR 359 CO 0.01 0.00 -0.10 1.23 0.37 0.00 0.00 175.52 177.03 3fyi h GLY 360 N -1.16 0.00 1.00 2.16 0.00 -0.93 -2.82 103.07 101.33 3fyi h GLY 360 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.28 3fyi h GLY 360 CO 0.11 0.00 0.66 -2.22 0.00 0.00 0.00 176.54 175.09 3fyi h ILE 361 N 0.00 1.24 -0.81 2.60 1.08 -1.36 -2.73 117.51 117.53 3fyi h ILE 361 Ca -0.00 -0.46 0.23 0.00 -0.39 0.00 0.00 64.86 64.24 3fyi h ILE 361 Cb 0.18 -0.21 -0.04 0.00 -3.07 0.00 0.00 36.82 33.68 3fyi h ILE 361 CO 0.01 0.24 0.58 0.11 -0.69 0.00 0.00 178.15 178.40 3fyi h LYS 362 N 1.33 0.06 -0.88 2.37 1.57 -1.53 0.27 116.57 119.75 3fyi h LYS 362 Ca 0.37 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.18 3fyi h LYS 362 Cb -0.13 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.11 3fyi h LYS 362 CO -0.09 0.04 0.57 0.82 -0.57 0.00 0.00 179.45 180.22 3fyi h ILE 363 N 0.06 1.13 -0.67 1.86 1.08 -1.66 -2.07 117.51 117.24 3fyi h ILE 363 Ca 0.39 -0.38 -0.08 0.00 -0.39 0.00 0.00 64.86 64.41 3fyi h ILE 363 Cb 1.47 -0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 3fyi h ILE 363 CO -0.03 0.20 0.11 -0.26 -0.69 0.00 0.00 178.15 177.48 3fyi h PHE 364 N 1.10 1.18 -0.62 1.37 0.04 -0.61 -2.04 116.94 117.34 3fyi h PHE 364 Ca 0.36 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 3fyi h PHE 364 Cb 0.03 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.83 3fyi h PHE 364 CO -0.02 0.98 0.21 0.77 -0.60 0.00 0.00 178.31 179.65 3fyi h SER 365 N 1.03 0.86 -0.07 2.17 0.02 -1.30 -0.07 113.55 116.19 3fyi h SER 365 Ca 0.20 -0.14 -0.19 0.00 -0.84 0.00 0.00 61.79 60.83 3fyi h SER 365 Cb 0.44 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3fyi h SER 365 CO 0.01 0.80 -0.65 -0.50 -1.14 0.00 0.00 176.83 175.36 3fyi h TRP 366 N 0.90 0.90 -0.71 3.45 6.55 -1.27 -1.16 115.95 124.61 3fyi h TRP 366 Ca 0.21 -0.35 -0.07 0.00 0.95 0.00 0.00 58.89 59.62 3fyi h TRP 366 Cb 0.24 -0.16 -0.03 0.00 -0.86 0.00 0.00 29.16 28.36 3fyi h TRP 366 CO 0.02 1.15 0.17 0.82 -1.05 0.00 0.00 178.44 179.54 3fyi h ILE 367 N 0.51 1.26 -0.28 1.49 2.04 -1.18 -2.82 117.51 118.53 3fyi h ILE 367 Ca -0.01 -0.98 -0.08 0.00 1.00 0.00 0.00 64.86 64.78 3fyi h ILE 367 Cb 1.24 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3fyi h ILE 367 CO 0.13 0.38 -0.18 0.00 0.00 0.00 0.00 178.15 178.47 3fyi h ALA 368 N 1.08 1.17 -0.98 1.87 0.00 -0.90 -1.09 119.26 120.42 3fyi h ALA 368 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fyi h ALA 368 Cb 0.38 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3fyi h ALA 368 CO 0.00 0.53 0.61 1.15 0.00 0.00 0.00 179.25 181.54 3fyi h THR 369 N 0.45 1.26 -0.17 0.00 2.02 -1.10 -2.45 112.91 112.92 3fyi h THR 369 Ca 0.08 -0.53 -0.14 0.00 0.77 0.00 0.00 66.41 66.58 3fyi h THR 369 Cb 0.58 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3fyi h THR 369 CO 0.04 0.26 -0.51 0.24 0.37 0.00 0.00 175.52 175.93 3fyi h MET 370 N 1.34 0.46 -6.54 6.66 2.07 -1.18 -3.42 114.93 114.31 3fyi h MET 370 Ca 0.35 -0.27 -0.53 0.00 -2.07 0.00 0.00 59.70 57.19 3fyi h MET 370 Cb -0.10 0.02 0.04 0.00 -1.87 0.00 0.00 31.60 29.69 3fyi h MET 370 CO -0.07 0.86 1.01 -0.46 1.07 0.00 0.00 176.91 179.31 3fyi s TRP 371 N -4.03 2.57 0.00 -0.22 -0.11 -0.46 -1.46 118.94 115.23 3fyi s TRP 371 Ca -0.06 0.29 0.00 0.00 1.22 0.00 0.00 56.10 57.55 3fyi s TRP 371 Cb 0.12 -4.05 0.00 0.00 -1.50 0.00 0.00 33.47 28.04 3fyi s TRP 371 CO 0.82 -4.14 0.00 0.41 -4.62 0.00 0.00 176.95 169.42 3fyi n GLY 372 N 4.01 0.61 0.00 5.86 0.00 -1.26 -4.97 105.19 109.44 3fyi n GLY 372 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3fyi n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fyi n GLY 373 N -2.11 -0.44 2.72 -0.02 0.00 -0.53 -5.06 105.19 99.75 3fyi n GLY 373 Ca 0.00 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 3fyi n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fyi s SER 374 N -1.00 3.66 -0.17 1.61 0.15 0.01 -5.04 113.70 112.93 3fyi s SER 374 Ca 0.00 -2.72 -0.26 0.00 0.70 0.00 0.00 55.95 53.67 3fyi s SER 374 Cb 0.00 -1.08 -0.01 0.00 -1.71 0.00 0.00 66.02 63.22 3fyi s SER 374 CO 0.00 -0.25 0.87 -0.63 1.20 0.00 0.00 173.24 174.43 3fyi s ILE 375 N 0.22 4.85 -0.24 6.45 1.01 -1.26 -4.24 121.20 127.99 3fyi s ILE 375 Ca 0.18 1.71 -0.07 0.00 0.00 0.00 0.00 60.65 62.47 3fyi s ILE 375 Cb -0.22 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 3fyi s ILE 375 CO -0.01 0.01 0.06 -0.70 0.00 0.00 0.00 174.94 174.29 3fyi s GLU 376 N 2.22 3.67 -0.64 2.79 2.12 -0.16 -5.02 118.70 123.68 3fyi s GLU 376 Ca 0.40 -0.47 -0.04 0.00 0.36 0.00 0.00 54.97 55.21 3fyi s GLU 376 Cb -0.17 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 30.98 3fyi s GLU 376 CO 0.12 -0.13 2.76 1.28 -0.54 0.00 0.00 175.26 178.75 3fyi n LEU 377 N 4.74 6.78 -4.82 2.70 4.77 -1.26 -4.81 117.00 125.10 3fyi n LEU 377 Ca -0.16 -4.19 -0.31 0.00 -0.03 0.00 0.00 56.01 51.32 3fyi n LEU 377 Cb 0.51 -1.28 0.06 0.00 -2.33 0.00 0.00 43.42 40.38 3fyi n LEU 377 CO 0.31 1.81 0.71 -0.54 -1.33 0.00 0.00 177.39 178.36 3fyi s LYS 378 N -1.30 2.71 0.24 3.23 -0.14 -1.26 -4.77 119.74 118.45 3fyi s LYS 378 Ca 0.59 0.86 -0.13 0.00 -1.36 0.00 0.00 55.97 55.93 3fyi s LYS 378 Cb 0.33 -1.97 0.32 0.00 -1.68 0.00 0.00 37.83 34.83 3fyi s LYS 378 CO -0.17 -1.23 1.58 1.15 -0.76 0.00 0.00 175.35 175.91 3fyi h THR 379 N -0.81 0.12 -0.54 2.17 2.02 -1.92 -0.59 112.91 113.35 3fyi h THR 379 Ca -0.45 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.77 3fyi h THR 379 Cb 1.23 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 3fyi h THR 379 CO 0.58 0.00 0.36 -0.65 0.37 0.00 0.00 175.52 176.17 3fyi h PRO 380 N -0.02 0.58 -0.28 6.66 0.11 -1.90 -1.74 132.00 135.41 3fyi h PRO 380 Ca 0.38 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 3fyi h PRO 380 Cb 0.62 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3fyi h PRO 380 CO -0.88 0.39 -0.44 1.98 -0.21 0.00 0.00 178.00 178.84 3fyi h MET 381 N 0.60 0.72 -0.27 1.05 -1.53 -1.44 -2.32 114.93 111.74 3fyi h MET 381 Ca 0.22 -0.39 0.02 0.00 -3.44 0.00 0.00 59.70 56.10 3fyi h MET 381 Cb 0.12 0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 3fyi h MET 381 CO -0.06 1.01 0.13 -0.07 0.14 0.00 0.00 176.91 178.06 3fyi h LEU 382 N 0.58 0.18 -0.67 3.39 3.38 -0.73 -0.80 115.31 120.64 3fyi h LEU 382 Ca 0.04 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3fyi h LEU 382 Cb 0.99 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 3fyi h LEU 382 CO 0.09 0.14 0.39 -0.50 0.09 0.00 0.00 178.44 178.65 3fyi h TRP 383 N 0.27 0.72 -0.73 1.13 4.06 -1.31 -0.12 115.95 119.97 3fyi h TRP 383 Ca 0.11 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.04 3fyi h TRP 383 Cb 0.04 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 27.94 3fyi h TRP 383 CO -0.10 0.36 0.29 0.00 -3.56 0.00 0.00 178.44 175.43 3fyi h ALA 384 N 1.33 0.95 -0.38 1.49 0.00 -1.15 0.13 119.26 121.64 3fyi h ALA 384 Ca 0.29 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3fyi h ALA 384 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fyi h ALA 384 CO -0.16 0.57 -0.38 -0.07 0.00 0.00 0.00 179.25 179.21 3fyi h LEU 385 N 1.05 1.00 -0.51 0.00 3.38 -0.92 -2.16 115.31 117.14 3fyi h LEU 385 Ca 0.24 -0.47 0.05 0.00 0.09 0.00 0.00 57.88 57.79 3fyi h LEU 385 Cb 0.22 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3fyi h LEU 385 CO -0.02 1.26 0.24 1.23 0.09 0.00 0.00 178.44 181.24 3fyi h GLY 386 N 0.75 0.70 0.27 0.83 0.00 -0.82 -2.46 103.07 102.35 3fyi h GLY 386 Ca 0.06 -0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.33 3fyi h GLY 386 CO 0.09 0.09 0.13 -2.75 0.00 0.00 0.00 176.54 174.11 3fyi h PHE 387 N 0.47 0.21 -0.72 5.60 3.04 -0.54 -0.83 116.94 124.17 3fyi h PHE 387 Ca 0.23 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.23 3fyi h PHE 387 Cb 0.15 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 3fyi h PHE 387 CO -0.11 -0.00 0.47 -0.07 -2.02 0.00 0.00 178.31 176.57 3fyi h LEU 388 N 0.27 0.79 0.02 0.59 3.38 -0.97 0.91 115.31 120.31 3fyi h LEU 388 Ca 0.29 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 3fyi h LEU 388 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3fyi h LEU 388 CO -0.36 0.56 -0.01 0.15 0.09 0.00 0.00 178.44 178.87 3fyi h PHE 389 N 0.94 -0.02 -0.49 1.13 3.57 -0.99 -2.56 116.94 118.52 3fyi h PHE 389 Ca 0.28 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 3fyi h PHE 389 Cb -0.06 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3fyi h PHE 389 CO -0.03 0.22 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.09 3fyi h LEU 390 N -0.27 0.95 -1.18 0.59 3.38 -0.93 -1.45 115.31 116.40 3fyi h LEU 390 Ca -0.00 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 3fyi h LEU 390 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3fyi h LEU 390 CO 0.00 1.09 -0.01 0.15 0.09 0.00 0.00 178.44 179.76 3fyi h PHE 391 N 0.80 0.57 0.06 1.13 3.57 -0.91 0.46 116.94 122.63 3fyi h PHE 391 Ca 0.13 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3fyi h PHE 391 Cb 0.67 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.24 3fyi h PHE 391 CO 0.05 0.57 -0.03 1.15 -2.23 0.00 0.00 178.31 177.81 3fyi h THR 392 N 0.53 1.16 -0.53 4.41 2.02 -1.18 0.74 112.91 120.07 3fyi h THR 392 Ca 0.11 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.52 3fyi h THR 392 Cb 0.36 1.68 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 3fyi h THR 392 CO 0.01 0.20 0.29 0.58 0.37 0.00 0.00 175.52 176.97 3fyi h VAL 393 N -0.45 1.00 -0.51 3.16 2.07 -0.99 -1.11 116.25 119.43 3fyi h VAL 393 Ca -0.01 -0.20 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 3fyi h VAL 393 Cb 0.39 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3fyi h VAL 393 CO 0.01 0.10 -0.04 1.23 0.02 0.00 0.00 177.57 178.90 3fyi h GLY 394 N 0.57 0.96 0.97 2.17 0.00 -0.97 -3.22 103.07 103.55 3fyi h GLY 394 Ca 0.22 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 3fyi h GLY 394 CO -0.13 0.64 0.05 -1.33 0.00 0.00 0.00 176.54 175.76 3fyi h GLY 395 N 0.98 0.82 1.47 4.60 0.00 -0.12 -2.65 103.07 108.17 3fyi h GLY 395 Ca 0.15 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 3fyi h GLY 395 CO 0.03 0.53 -0.02 -0.39 0.00 0.00 0.00 176.54 176.68 3fyi h VAL 396 N 0.62 1.23 0.00 4.60 -1.51 -1.27 -1.77 116.25 118.16 3fyi h VAL 396 Ca 0.13 -0.94 -0.10 0.00 -1.23 0.00 0.00 66.70 64.56 3fyi h VAL 396 Cb 0.42 0.95 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 3fyi h VAL 396 CO 0.01 0.32 -0.46 0.71 -1.23 0.00 0.00 177.57 176.93 3fyi h THR 397 N 0.62 1.15 -0.74 7.19 1.35 -1.56 -1.88 112.91 119.03 3fyi h THR 397 Ca 0.12 -1.69 0.04 0.00 -0.55 0.00 0.00 66.41 64.34 3fyi h THR 397 Cb 0.42 1.96 -0.05 0.00 -1.73 0.00 0.00 68.15 68.75 3fyi h THR 397 CO 0.02 0.45 0.45 1.23 -0.25 0.00 0.00 175.52 177.42 3fyi h GLY 398 N 1.80 1.08 0.61 5.82 0.00 -0.97 -1.83 103.07 109.59 3fyi h GLY 398 Ca -0.00 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.04 3fyi h GLY 398 CO 0.06 0.25 0.08 -2.22 0.00 0.00 0.00 176.54 174.71 3fyi h ILE 399 N 0.85 0.84 -0.38 2.60 1.08 -0.70 -0.36 117.51 121.45 3fyi h ILE 399 Ca 0.31 -0.07 0.07 0.00 -0.39 0.00 0.00 64.86 64.78 3fyi h ILE 399 Cb 0.10 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 3fyi h ILE 399 CO -0.14 0.04 -0.05 0.58 -0.69 0.00 0.00 178.15 177.88 3fyi h VAL 400 N 0.20 0.67 -0.05 1.67 2.07 -1.24 -2.91 116.25 116.66 3fyi h VAL 400 Ca 0.16 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.61 3fyi h VAL 400 Cb 0.17 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3fyi h VAL 400 CO -0.20 0.01 -0.24 -0.07 0.02 0.00 0.00 177.57 177.08 3fyi h LEU 401 N 0.05 0.08 -1.91 2.57 3.38 -0.44 -2.71 115.31 116.33 3fyi h LEU 401 Ca 0.18 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3fyi h LEU 401 Cb 0.27 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3fyi h LEU 401 CO -0.35 0.33 0.09 0.77 0.09 0.00 0.00 178.44 179.37 3fyi h SER 402 N 0.08 0.10 -2.32 -0.43 4.64 -0.89 -3.39 113.55 111.34 3fyi h SER 402 Ca 0.01 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.80 3fyi h SER 402 Cb 0.47 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.48 3fyi h SER 402 CO 0.03 0.07 1.17 -1.10 -0.87 0.00 0.00 176.83 176.13 3fyi s GLN 403 N -5.16 3.02 0.53 4.77 -1.52 -1.02 -4.69 119.66 115.60 3fyi s GLN 403 Ca -0.06 0.18 0.28 0.00 -1.95 0.00 0.00 55.36 53.82 3fyi s GLN 403 Cb 0.17 -4.24 1.44 0.00 -0.22 0.00 0.00 33.01 30.16 3fyi s GLN 403 CO 0.69 -2.30 1.95 0.00 -0.25 0.00 0.00 175.29 175.37 3fyi h ALA 404 N 11.88 2.66 -0.02 6.09 0.00 -1.87 0.01 119.26 138.01 3fyi h ALA 404 Ca -0.27 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 3fyi h ALA 404 Cb 1.10 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3fyi h ALA 404 CO 1.24 -0.87 -0.53 0.66 0.00 0.00 0.00 179.25 179.75 3fyi h SER 405 N 0.00 0.07 0.41 0.00 4.64 -1.92 -2.63 113.55 114.11 3fyi h SER 405 Ca 0.33 -0.03 -0.31 0.00 -0.47 0.00 0.00 61.79 61.31 3fyi h SER 405 Cb 1.34 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 3fyi h SER 405 CO -0.00 0.59 -1.70 0.58 -0.87 0.00 0.00 176.83 175.42 3fyi h VAL 406 N 0.05 0.91 -0.07 0.95 2.07 -1.34 -3.29 116.25 115.53 3fyi h VAL 406 Ca -0.00 -2.67 0.02 0.00 0.82 0.00 0.00 66.70 64.87 3fyi h VAL 406 Cb 0.96 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 33.27 3fyi h VAL 406 CO 0.07 0.70 0.09 -0.78 0.02 0.00 0.00 177.57 177.67 3fyi h ASP 407 N 0.04 0.00 -0.70 0.57 3.58 -1.25 -1.56 116.42 117.09 3fyi h ASP 407 Ca -0.30 0.00 0.12 0.00 0.42 0.00 0.00 57.03 57.28 3fyi h ASP 407 Cb 2.01 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.97 3fyi h ASP 407 CO 0.10 0.00 0.27 -0.09 -2.88 0.00 0.00 179.24 176.64 3fyi h ARG 408 N 0.00 0.42 0.01 0.28 9.65 -1.53 0.46 114.38 123.66 3fyi h ARG 408 Ca 0.03 -0.02 -0.15 0.00 -1.10 0.00 0.00 59.98 58.74 3fyi h ARG 408 Cb 0.21 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.71 3fyi h ARG 408 CO -0.00 0.27 -0.59 -0.92 2.80 0.00 0.00 179.97 181.54 3fyi h TYR 409 N 0.43 0.57 0.00 2.20 5.03 -1.50 -3.37 116.97 120.33 3fyi h TYR 409 Ca 0.37 -0.32 -0.03 0.00 2.58 0.00 0.00 58.73 61.33 3fyi h TYR 409 Cb 0.53 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 3fyi h TYR 409 CO -0.17 1.14 -0.30 1.88 -1.32 0.00 0.00 178.16 179.39 3fyi h TYR 410 N -0.17 0.00 -3.40 -3.82 0.05 -1.05 -3.45 116.97 105.13 3fyi h TYR 410 Ca -0.08 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.17 3fyi h TYR 410 Cb 1.32 0.00 0.09 0.00 1.01 0.00 0.00 36.73 39.14 3fyi h TYR 410 CO 0.16 0.15 0.87 -1.58 -1.05 0.00 0.00 178.16 176.71 3fyi s HIS 411 N -3.15 2.74 -1.68 4.88 2.46 0.16 -1.43 115.29 119.26 3fyi s HIS 411 Ca 0.05 0.82 -0.01 0.00 0.47 0.00 0.00 55.06 56.39 3fyi s HIS 411 Cb 0.06 -4.06 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 3fyi s HIS 411 CO 0.71 -3.52 0.19 -0.25 -2.47 0.00 0.00 174.74 169.40 3fyi n ASP 412 N 2.00 -5.90 -4.64 9.88 8.00 -1.26 -5.00 116.55 119.62 3fyi n ASP 412 Ca 0.07 -0.10 -0.27 0.00 0.71 0.00 0.00 54.79 55.20 3fyi n ASP 412 Cb 0.38 -4.85 -0.10 0.00 -0.02 0.00 0.00 41.12 36.52 3fyi n ASP 412 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fyi s THR 413 N -3.07 2.07 -0.35 -3.53 -4.23 -0.51 -1.64 115.64 104.38 3fyi s THR 413 Ca 0.10 -1.94 0.20 0.00 -1.18 0.00 0.00 61.69 58.87 3fyi s THR 413 Cb -0.04 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 71.01 3fyi s THR 413 CO 0.12 -0.01 1.62 -1.22 -0.54 0.00 0.00 174.62 174.59 3fyi n TYR 414 N -1.02 0.68 -0.11 3.99 4.02 -0.42 -2.01 117.16 122.29 3fyi n TYR 414 Ca -0.04 0.33 -0.02 0.00 -0.01 0.00 0.00 57.90 58.16 3fyi n TYR 414 Cb 0.66 -1.03 0.22 0.00 -0.02 0.00 0.00 39.34 39.18 3fyi n TYR 414 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3fyi h TYR 415 N 0.00 0.79 -0.29 -0.72 5.03 -1.83 -0.88 116.97 119.07 3fyi h TYR 415 Ca 0.00 -0.06 -0.08 0.00 2.58 0.00 0.00 58.73 61.17 3fyi h TYR 415 Cb 0.09 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.13 3fyi h TYR 415 CO 0.00 0.66 -0.11 0.28 -1.32 0.00 0.00 178.16 177.67 3fyi h VAL 416 N 0.75 1.29 -0.65 1.81 2.07 -1.61 -1.93 116.25 117.98 3fyi h VAL 416 Ca 0.17 -1.19 0.09 0.00 0.82 0.00 0.00 66.70 66.59 3fyi h VAL 416 Cb 0.26 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 3fyi h VAL 416 CO -0.00 0.38 0.29 0.58 0.02 0.00 0.00 177.57 178.84 3fyi h VAL 417 N 0.35 0.83 0.05 2.57 2.07 -1.51 -1.62 116.25 118.98 3fyi h VAL 417 Ca 0.07 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3fyi h VAL 417 Cb 0.62 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 3fyi h VAL 417 CO 0.04 0.09 -0.02 0.00 0.02 0.00 0.00 177.57 177.70 3fyi h ALA 418 N 1.41 -0.06 -0.59 1.67 0.00 -1.13 -2.01 119.26 118.55 3fyi h ALA 418 Ca 0.32 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.26 3fyi h ALA 418 Cb 0.34 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 3fyi h ALA 418 CO -0.27 -0.49 -0.47 1.25 0.00 0.00 0.00 179.25 179.27 3fyi h HIS 419 N -0.15 -1.41 0.00 0.00 6.17 -0.84 -1.61 115.15 117.31 3fyi h HIS 419 Ca -0.01 0.09 -0.17 0.00 0.71 0.00 0.00 60.37 60.99 3fyi h HIS 419 Cb 0.13 0.70 -0.02 0.00 2.52 0.00 0.00 27.41 30.73 3fyi h HIS 419 CO -0.05 -0.43 -0.82 0.27 0.71 0.00 0.00 177.93 177.61 3fyi h PHE 420 N -0.24 0.00 -0.65 5.26 -5.15 -1.30 -1.49 116.94 113.37 3fyi h PHE 420 Ca 0.16 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.88 3fyi h PHE 420 Cb 0.56 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.70 3fyi h PHE 420 CO -0.74 0.82 0.19 0.45 -2.00 0.00 0.00 178.31 177.02 3fyi h HIS 421 N 0.00 1.03 0.38 6.09 3.86 -1.31 0.67 115.15 125.88 3fyi h HIS 421 Ca -0.01 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.09 3fyi h HIS 421 Cb 1.59 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 29.76 3fyi h HIS 421 CO 0.00 0.83 -0.18 1.88 0.86 0.00 0.00 177.93 181.32 3fyi h TYR 422 N 0.96 -0.48 0.06 2.45 -1.99 -1.18 0.23 116.97 117.02 3fyi h TYR 422 Ca 0.21 -0.01 -0.25 0.00 2.00 0.00 0.00 58.73 60.68 3fyi h TYR 422 Cb 0.29 0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.19 3fyi h TYR 422 CO 0.02 -0.15 -1.07 -0.24 -0.00 0.00 0.00 178.16 176.73 3fyi h VAL 423 N -0.90 1.43 0.00 -2.88 3.04 -1.31 -3.17 116.25 112.45 3fyi h VAL 423 Ca -0.05 -2.67 -0.08 0.00 -1.01 0.00 0.00 66.70 62.89 3fyi h VAL 423 Cb 0.54 2.63 -0.01 0.00 -2.01 0.00 0.00 31.29 32.44 3fyi h VAL 423 CO 0.09 0.79 -0.92 0.80 -1.01 0.00 0.00 177.57 177.32 3fyi n MET 424 N -3.67 0.25 0.21 4.17 0.00 0.05 -4.06 117.12 114.07 3fyi n MET 424 Ca -0.08 0.10 -0.15 0.00 -0.00 0.00 0.00 57.70 57.58 3fyi n MET 424 Cb 0.91 -0.94 -0.08 0.00 0.00 0.00 0.00 33.22 33.11 3fyi n MET 424 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3fyi h SER 425 N -0.46 -0.42 0.53 6.12 0.02 -1.04 0.92 113.55 119.22 3fyi h SER 425 Ca -0.12 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.62 3fyi h SER 425 Cb 0.76 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 3fyi h SER 425 CO -0.07 -0.20 -0.69 -0.07 -1.14 0.00 0.00 176.83 174.66 3fyi h LEU 426 N -0.62 0.16 0.15 5.07 3.38 -0.69 -1.44 115.31 121.33 3fyi h LEU 426 Ca -0.05 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fyi h LEU 426 Cb 0.45 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3fyi h LEU 426 CO 0.08 0.80 -0.17 1.23 0.09 0.00 0.00 178.44 180.47 3fyi h GLY 427 N 1.77 -0.35 0.99 0.83 0.00 -1.51 0.28 103.07 105.08 3fyi h GLY 427 Ca -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 3fyi h GLY 427 CO 0.10 -0.17 0.29 0.00 0.00 0.00 0.00 176.54 176.76 3fyi h ALA 428 N 0.44 0.63 -0.67 3.60 0.00 -0.79 -1.98 119.26 120.50 3fyi h ALA 428 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3fyi h ALA 428 Cb 0.35 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3fyi h ALA 428 CO -0.06 0.14 0.26 0.28 0.00 0.00 0.00 179.25 179.87 3fyi h VAL 429 N 0.66 1.24 -0.15 0.00 2.07 -1.11 0.36 116.25 119.33 3fyi h VAL 429 Ca 0.18 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 3fyi h VAL 429 Cb 0.02 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3fyi h VAL 429 CO -0.03 0.30 -0.45 -0.26 0.02 0.00 0.00 177.57 177.15 3fyi h PHE 430 N 0.95 0.44 -0.52 1.57 -1.00 -0.39 -1.36 116.94 116.62 3fyi h PHE 430 Ca 0.22 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 3fyi h PHE 430 Cb 0.21 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 3fyi h PHE 430 CO 0.01 0.75 0.21 0.78 -1.61 0.00 0.00 178.31 178.46 3fyi h GLY 431 N 1.20 0.84 0.99 -1.45 0.00 -1.16 -0.30 103.07 103.19 3fyi h GLY 431 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3fyi h GLY 431 CO 0.08 0.43 -0.14 -2.22 0.00 0.00 0.00 176.54 174.69 3fyi h ILE 432 N 0.70 0.72 -0.89 2.60 2.04 -0.59 -1.35 117.51 120.73 3fyi h ILE 432 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3fyi h ILE 432 Cb 0.20 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3fyi h ILE 432 CO -0.01 0.00 0.51 -0.26 0.00 0.00 0.00 178.15 178.39 3fyi h PHE 433 N -0.38 1.20 -0.58 1.37 0.04 -1.25 -0.34 116.94 117.02 3fyi h PHE 433 Ca -0.04 -0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.76 3fyi h PHE 433 Cb 0.29 -0.39 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 3fyi h PHE 433 CO -0.06 0.81 0.31 0.00 -0.60 0.00 0.00 178.31 178.77 3fyi h ALA 434 N 1.32 0.75 -0.43 2.45 0.00 -0.92 -1.76 119.26 120.67 3fyi h ALA 434 Ca 0.32 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3fyi h ALA 434 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fyi h ALA 434 CO -0.06 -0.01 0.07 0.78 0.00 0.00 0.00 179.25 180.04 3fyi h GLY 435 N 0.60 0.76 0.89 0.00 0.00 -0.72 -1.72 103.07 102.88 3fyi h GLY 435 Ca 0.25 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 3fyi h GLY 435 CO -0.15 0.47 -0.01 -2.22 0.00 0.00 0.00 176.54 174.62 3fyi h ILE 436 N 0.56 1.06 -0.61 2.60 2.04 -0.81 0.08 117.51 122.44 3fyi h ILE 436 Ca 0.13 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.64 3fyi h ILE 436 Cb 0.37 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3fyi h ILE 436 CO 0.01 0.07 0.04 1.88 0.00 0.00 0.00 178.15 180.14 3fyi h TYR 437 N -0.15 1.13 -0.58 1.37 0.05 -1.37 0.16 116.97 117.58 3fyi h TYR 437 Ca -0.00 -0.18 0.06 0.00 0.05 0.00 0.00 58.73 58.66 3fyi h TYR 437 Cb 0.14 -0.30 -0.06 0.00 1.01 0.00 0.00 36.73 37.52 3fyi h TYR 437 CO -0.04 0.98 0.28 0.35 -1.05 0.00 0.00 178.16 178.69 3fyi h PHE 438 N 0.94 0.51 -0.00 4.88 3.57 -1.20 -3.34 116.94 122.30 3fyi h PHE 438 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3fyi h PHE 438 Cb 0.51 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3fyi h PHE 438 CO 0.04 0.22 -0.44 0.91 -2.23 0.00 0.00 178.31 176.81 3fyi n TRP 439 N -4.89 0.00 -0.22 0.41 8.01 0.00 -4.64 117.44 116.11 3fyi n TRP 439 Ca 0.07 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.32 3fyi n TRP 439 Cb 0.19 0.00 0.32 0.00 -2.01 0.00 0.00 31.31 29.80 3fyi n TRP 439 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 3fyi h ILE 440 N 0.15 1.03 -0.56 -0.99 2.10 -0.79 -0.35 117.51 118.10 3fyi h ILE 440 Ca 0.00 -0.29 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 3fyi h ILE 440 Cb 0.25 0.11 -0.03 0.00 -1.09 0.00 0.00 36.82 36.07 3fyi h ILE 440 CO 0.00 0.15 0.31 1.23 -1.08 0.00 0.00 178.15 178.77 3fyi h GLY 441 N 0.84 0.83 1.06 8.18 0.00 -1.81 -0.84 103.07 111.33 3fyi h GLY 441 Ca 0.34 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 47.23 3fyi h GLY 441 CO -0.12 0.36 0.17 1.70 0.00 0.00 0.00 176.54 178.65 3fyi h LYS 442 N 0.75 1.11 0.05 4.80 1.63 -1.55 -0.03 116.57 123.34 3fyi h LYS 442 Ca 0.20 -0.27 -0.24 0.00 -0.85 0.00 0.00 60.65 59.49 3fyi h LYS 442 Cb 0.04 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3fyi h LYS 442 CO -0.03 0.98 -1.05 0.52 -3.45 0.00 0.00 179.45 176.42 3fyi h MET 443 N 1.05 0.30 0.00 1.90 2.86 -1.01 -3.32 114.93 116.70 3fyi h MET 443 Ca 0.22 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3fyi h MET 443 Cb 0.37 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 3fyi h MET 443 CO 0.00 1.12 -1.41 -1.13 1.06 0.00 0.00 176.91 176.55 3fyi n SER 444 N -3.63 3.03 0.00 1.22 3.41 -0.33 -4.69 113.62 112.64 3fyi n SER 444 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3fyi n SER 444 Cb 0.91 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 66.18 3fyi n SER 444 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fyi n GLY 445 N 2.06 0.61 3.12 5.00 0.00 -0.03 -4.68 105.19 111.27 3fyi n GLY 445 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3fyi n GLY 445 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fyi s ARG 446 N -0.08 0.98 -0.02 1.61 0.52 -1.25 -0.35 118.95 120.35 3fyi s ARG 446 Ca 0.00 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 3fyi s ARG 446 Cb 0.00 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.47 3fyi s ARG 446 CO 0.00 0.25 0.07 -1.14 0.02 0.00 0.00 175.30 174.50 3fyi s GLN 447 N -0.81 3.07 0.44 3.54 2.00 0.03 -3.30 119.66 124.62 3fyi s GLN 447 Ca 0.03 -0.46 -0.21 0.00 -2.00 0.00 0.00 55.36 52.72 3fyi s GLN 447 Cb -0.07 -2.86 -0.10 0.00 0.80 0.00 0.00 33.01 30.77 3fyi s GLN 447 CO 0.01 0.66 0.97 1.52 -0.50 0.00 0.00 175.29 177.94 3fyi s TYR 448 N -1.15 3.25 -0.07 1.67 1.13 -1.26 -3.30 117.35 117.62 3fyi s TYR 448 Ca 0.21 1.61 -0.30 0.00 -1.41 0.00 0.00 57.07 57.18 3fyi s TYR 448 Cb -0.12 -2.90 -0.03 0.00 -1.10 0.00 0.00 41.96 37.81 3fyi s TYR 448 CO 0.12 -0.26 1.21 -1.25 -2.51 0.00 0.00 175.55 172.86 3fyi s PRO 449 N -3.15 4.33 0.27 -3.49 0.04 -1.26 -4.95 135.00 126.79 3fyi s PRO 449 Ca 0.63 1.68 -0.04 0.00 0.04 0.00 0.00 61.00 63.30 3fyi s PRO 449 Cb -0.11 -3.58 0.32 0.00 0.04 0.00 0.00 34.50 31.17 3fyi s PRO 449 CO 0.15 -0.48 1.92 1.49 0.04 0.00 0.00 177.00 180.12 3fyi h GLU 450 N 7.56 1.20 -0.31 4.56 4.57 -2.00 -2.27 114.58 127.89 3fyi h GLU 450 Ca -0.33 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 57.68 3fyi h GLU 450 Cb 1.15 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.47 3fyi h GLU 450 CO 0.89 0.82 -0.11 0.11 -1.18 0.00 0.00 179.01 179.55 3fyi h TRP 451 N 1.23 0.57 -0.20 0.92 5.08 -2.00 -2.44 115.95 119.12 3fyi h TRP 451 Ca 0.33 -0.09 -0.20 0.00 1.08 0.00 0.00 58.89 60.01 3fyi h TRP 451 Cb -0.09 -0.15 0.00 0.00 -3.00 0.00 0.00 29.16 25.92 3fyi h TRP 451 CO 0.00 0.63 -0.67 0.00 -1.28 0.00 0.00 178.44 177.12 3fyi h ALA 452 N 1.39 0.44 -0.57 0.11 0.00 -1.84 -1.76 119.26 117.03 3fyi h ALA 452 Ca 0.09 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.48 3fyi h ALA 452 Cb 0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3fyi h ALA 452 CO 0.03 0.69 0.33 0.78 0.00 0.00 0.00 179.25 181.08 3fyi h GLY 453 N 0.74 0.82 0.96 0.00 0.00 -1.23 0.01 103.07 104.37 3fyi h GLY 453 Ca -0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3fyi h GLY 453 CO 0.14 0.18 -0.15 0.50 0.00 0.00 0.00 176.54 177.21 3fyi h LYS 454 N 0.64 0.71 -0.75 4.80 1.57 -1.40 -1.12 116.57 121.03 3fyi h LYS 454 Ca 0.24 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3fyi h LYS 454 Cb 0.08 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3fyi h LYS 454 CO -0.13 0.90 0.49 1.25 -0.57 0.00 0.00 179.45 181.40 3fyi h LEU 455 N 0.49 0.85 0.13 2.94 5.85 -1.12 -1.05 115.31 123.39 3fyi h LEU 455 Ca 0.08 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3fyi h LEU 455 Cb 0.68 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 3fyi h LEU 455 CO 0.05 0.61 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.85 3fyi h HIS 456 N 1.00 -0.44 -0.34 1.25 2.76 -0.87 -1.44 115.15 117.07 3fyi h HIS 456 Ca 0.28 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.53 3fyi h HIS 456 Cb -0.10 0.18 -0.08 0.00 1.55 0.00 0.00 27.41 28.96 3fyi h HIS 456 CO -0.02 -0.25 -0.19 0.35 -1.30 0.00 0.00 177.93 176.51 3fyi h PHE 457 N -0.34 -0.49 -0.43 5.26 3.57 -0.82 -1.30 116.94 122.38 3fyi h PHE 457 Ca 0.02 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.42 3fyi h PHE 457 Cb 0.35 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 3fyi h PHE 457 CO -0.16 -0.27 -0.25 -1.49 -2.23 0.00 0.00 178.31 173.90 3fyi h TRP 458 N -0.14 1.05 -0.51 0.41 4.06 -1.00 0.10 115.95 119.92 3fyi h TRP 458 Ca 0.17 -0.26 -0.00 0.00 2.06 0.00 0.00 58.89 60.86 3fyi h TRP 458 Cb 0.41 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 3fyi h TRP 458 CO -0.40 1.06 0.30 0.52 -3.56 0.00 0.00 178.44 176.36 3fyi h MET 459 N 0.78 0.70 -0.28 0.49 2.86 -1.10 -1.49 114.93 116.90 3fyi h MET 459 Ca 0.10 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3fyi h MET 459 Cb 0.82 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 3fyi h MET 459 CO 0.07 0.52 -0.01 1.98 1.06 0.00 0.00 176.91 180.53 3fyi h MET 460 N 0.69 0.50 -0.49 1.72 1.85 -1.06 -0.44 114.93 117.69 3fyi h MET 460 Ca 0.18 -0.16 -0.04 0.00 -0.61 0.00 0.00 59.70 59.07 3fyi h MET 460 Cb 0.01 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 31.97 3fyi h MET 460 CO -0.03 0.66 0.14 0.35 -0.40 0.00 0.00 176.91 177.63 3fyi h PHE 461 N 0.27 0.80 -0.05 1.39 3.04 -0.73 0.17 116.94 121.84 3fyi h PHE 461 Ca 0.08 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 3fyi h PHE 461 Cb 0.45 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 3fyi h PHE 461 CO 0.04 0.71 -0.02 0.28 -2.02 0.00 0.00 178.31 177.30 3fyi h VAL 462 N 0.66 1.31 -0.74 1.41 2.07 -1.28 -2.99 116.25 116.68 3fyi h VAL 462 Ca 0.16 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.75 3fyi h VAL 462 Cb 0.29 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 3fyi h VAL 462 CO -0.00 0.26 0.46 1.23 0.02 0.00 0.00 177.57 179.54 3fyi h GLY 463 N -0.27 1.09 1.09 2.17 0.00 -0.95 -1.47 103.07 104.72 3fyi h GLY 463 Ca 0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3fyi h GLY 463 CO 0.01 0.26 -0.06 0.00 0.00 0.00 0.00 176.54 176.75 3fyi h ALA 464 N 1.34 0.78 -0.42 3.60 0.00 -0.72 -0.30 119.26 123.53 3fyi h ALA 464 Ca 0.31 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3fyi h ALA 464 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3fyi h ALA 464 CO -0.14 0.66 0.02 -0.91 0.00 0.00 0.00 179.25 178.88 3fyi h ASN 465 N 0.93 0.71 -0.76 0.00 2.35 -1.37 -1.48 115.58 115.98 3fyi h ASN 465 Ca 0.15 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3fyi h ASN 465 Cb 0.62 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 3fyi h ASN 465 CO 0.04 0.83 0.40 -0.07 -1.65 0.00 0.00 177.43 176.98 3fyi h LEU 466 N 0.57 0.97 0.27 1.61 3.38 -1.15 -1.51 115.31 119.45 3fyi h LEU 466 Ca 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3fyi h LEU 466 Cb 0.45 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fyi h LEU 466 CO 0.02 0.80 -0.13 0.74 0.09 0.00 0.00 178.44 179.96 3fyi h THR 467 N 1.08 0.78 0.00 0.22 2.02 -0.90 -3.32 112.91 112.79 3fyi h THR 467 Ca 0.27 -0.28 -0.36 0.00 0.77 0.00 0.00 66.41 66.81 3fyi h THR 467 Cb 0.06 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 67.34 3fyi h THR 467 CO -0.04 0.06 -2.37 0.49 0.37 0.00 0.00 175.52 174.03 3fyi n PHE 468 N -5.18 0.02 -0.27 3.16 3.72 -0.57 -4.40 117.46 113.94 3fyi n PHE 468 Ca -0.10 0.01 -0.03 0.00 -0.05 0.00 0.00 57.45 57.28 3fyi n PHE 468 Cb 0.21 -0.99 0.08 0.00 -0.94 0.00 0.00 39.48 37.84 3fyi n PHE 468 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3fyi h PHE 469 N 0.00 0.91 0.00 1.38 3.57 -1.48 -1.82 116.94 119.49 3fyi h PHE 469 Ca -0.53 0.02 0.00 0.00 3.53 0.00 0.00 57.97 60.99 3fyi h PHE 469 Cb 2.21 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.65 3fyi h PHE 469 CO 0.00 0.53 0.00 -1.35 -2.23 0.00 0.00 178.31 175.26 3fyi h PRO 470 N 0.95 0.00 0.00 6.41 0.11 -1.77 -2.52 132.00 135.18 3fyi h PRO 470 Ca 0.30 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.37 3fyi h PRO 470 Cb -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.09 3fyi h PRO 470 CO -0.10 0.00 -0.17 1.96 -0.21 0.00 0.00 178.00 179.48 3fyi h GLN 471 N 0.00 0.00 -0.45 1.05 4.20 -1.53 -2.10 115.11 116.28 3fyi h GLN 471 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3fyi h GLN 471 Cb 0.24 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 3fyi h GLN 471 CO 0.00 0.17 0.27 0.45 -0.67 0.00 0.00 178.83 179.05 3fyi h HIS 472 N 0.00 0.51 -0.43 2.96 3.86 -1.54 -0.74 115.15 119.78 3fyi h HIS 472 Ca -0.00 0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 3fyi h HIS 472 Cb 0.61 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 3fyi h HIS 472 CO 0.00 0.30 0.11 0.74 0.86 0.00 0.00 177.93 179.95 3fyi h PHE 473 N 0.55 0.72 -0.51 2.45 0.04 -1.55 -1.20 116.94 117.44 3fyi h PHE 473 Ca 0.18 -0.08 0.05 0.00 2.80 0.00 0.00 57.97 60.91 3fyi h PHE 473 Cb -0.01 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 3fyi h PHE 473 CO -0.06 0.67 0.24 -0.07 -0.60 0.00 0.00 178.31 178.49 3fyi h LEU 474 N 0.56 0.33 -0.35 1.54 3.38 -1.30 -1.36 115.31 118.13 3fyi h LEU 474 Ca 0.14 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3fyi h LEU 474 Cb 0.30 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3fyi h LEU 474 CO -0.00 0.23 0.15 1.23 0.09 0.00 0.00 178.44 180.14 3fyi h GLY 475 N 0.48 0.54 1.52 0.83 0.00 -0.95 -0.76 103.07 104.74 3fyi h GLY 475 Ca 0.23 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 3fyi h GLY 475 CO -0.18 0.27 0.29 3.21 0.00 0.00 0.00 176.54 180.13 3fyi h ARG 476 N 0.42 0.64 -0.00 4.80 3.08 -1.10 -0.80 114.38 121.41 3fyi h ARG 476 Ca 0.12 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3fyi h ARG 476 Cb 0.15 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3fyi h ARG 476 CO -0.01 0.45 -0.02 1.04 -1.07 0.00 0.00 179.97 180.35 3fyi n GLN 477 N -4.44 0.77 -0.43 0.04 1.13 -0.52 -4.92 117.38 109.01 3fyi n GLN 477 Ca 0.04 -0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 3fyi n GLN 477 Cb 0.07 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.93 3fyi n GLN 477 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fyi n GLY 478 N 1.17 0.94 3.65 1.08 0.00 -0.30 -5.05 105.19 106.68 3fyi n GLY 478 Ca 0.18 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3fyi n GLY 478 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fyi s MET 479 N -1.03 4.10 0.63 1.61 1.75 -0.36 -4.99 119.30 121.01 3fyi s MET 479 Ca 0.00 1.71 -0.14 0.00 -1.25 0.00 0.00 55.69 56.01 3fyi s MET 479 Cb 0.00 -3.88 -0.02 0.00 2.84 0.00 0.00 34.83 33.78 3fyi s MET 479 CO 0.00 -0.90 1.06 -2.14 -0.65 0.00 0.00 175.02 172.39 3fyi s PRO 480 N 3.92 3.16 0.54 4.11 0.02 -1.26 -1.31 135.00 144.18 3fyi s PRO 480 Ca 0.62 1.12 -0.19 0.00 0.02 0.00 0.00 61.00 62.57 3fyi s PRO 480 Cb -0.24 -2.01 -0.06 0.00 0.02 0.00 0.00 34.50 32.21 3fyi s PRO 480 CO 0.22 -0.93 1.09 1.03 -0.33 0.00 0.00 177.00 178.07 3fyi s ARG 481 N -4.42 3.45 -0.63 5.54 0.52 -0.65 -4.31 118.95 118.45 3fyi s ARG 481 Ca 0.62 1.45 -0.01 0.00 -0.52 0.00 0.00 55.73 57.26 3fyi s ARG 481 Cb -0.15 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.28 3fyi s ARG 481 CO 0.43 -0.74 0.19 0.54 0.02 0.00 0.00 175.30 175.75 3fyi n ARG 482 N -1.39 -1.67 -4.26 3.54 1.74 -1.26 -4.99 116.66 108.36 3fyi n ARG 482 Ca 0.10 0.37 -0.34 0.00 -0.77 0.00 0.00 57.85 57.21 3fyi n ARG 482 Cb 0.52 -4.14 -0.13 0.00 -1.02 0.00 0.00 32.46 27.69 3fyi n ARG 482 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3fyi s TYR 483 N -2.70 2.99 0.33 -1.55 1.51 -1.26 -4.91 117.35 111.76 3fyi s TYR 483 Ca 0.10 -0.51 0.17 0.00 -1.01 0.00 0.00 57.07 55.82 3fyi s TYR 483 Cb -0.04 -2.01 0.88 0.00 -0.11 0.00 0.00 41.96 40.67 3fyi s TYR 483 CO 0.12 -0.22 1.86 0.97 -1.11 0.00 0.00 175.55 177.17 3fyi h ILE 484 N 5.36 1.01 -3.52 2.71 2.10 -1.95 -3.46 117.51 119.75 3fyi h ILE 484 Ca -0.34 -1.16 -0.07 0.00 1.08 0.00 0.00 64.86 64.38 3fyi h ILE 484 Cb 1.18 1.67 -0.14 0.00 -1.09 0.00 0.00 36.82 38.44 3fyi h ILE 484 CO 0.61 0.31 -0.18 -0.62 -1.08 0.00 0.00 178.15 177.18 3fyi s ASP 485 N -6.64 -0.11 0.01 2.19 2.15 -1.26 -4.75 116.67 108.25 3fyi s ASP 485 Ca -0.02 -0.42 -0.13 0.00 0.43 0.00 0.00 52.55 52.41 3fyi s ASP 485 Cb 0.13 0.42 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 3fyi s ASP 485 CO 0.68 -0.80 0.28 -0.72 -0.17 0.00 0.00 175.17 174.45 3fyi s TYR 486 N -3.74 -0.12 0.32 -5.34 1.13 -1.26 -5.06 117.35 103.28 3fyi s TYR 486 Ca 0.03 0.10 -0.27 0.00 -1.41 0.00 0.00 57.07 55.52 3fyi s TYR 486 Cb 0.03 0.07 -0.13 0.00 -1.10 0.00 0.00 41.96 40.82 3fyi s TYR 486 CO -0.11 -0.41 1.05 -2.30 -2.51 0.00 0.00 175.55 171.27 3fyi n PRO 487 N 1.08 1.48 -0.27 -3.49 -0.02 -1.26 -4.57 135.00 127.95 3fyi n PRO 487 Ca -0.21 0.52 0.23 0.00 -2.02 0.00 0.00 63.50 62.02 3fyi n PRO 487 Cb 0.57 -1.95 0.56 0.00 -0.02 0.00 0.00 33.50 32.66 3fyi n PRO 487 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3fyi h GLU 488 N 2.02 0.30 0.00 -0.52 4.57 -2.00 -1.16 114.58 117.78 3fyi h GLU 488 Ca -0.41 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3fyi h GLU 488 Cb 1.33 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3fyi h GLU 488 CO 0.60 0.20 0.01 0.00 -1.18 0.00 0.00 179.01 178.64 3fyi h ALA 489 N 1.59 1.01 -0.21 2.92 0.00 -2.05 -1.11 119.26 121.41 3fyi h ALA 489 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3fyi h ALA 489 Cb 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3fyi h ALA 489 CO -0.18 -0.01 0.00 1.19 0.00 0.00 0.00 179.25 180.25 3fyi n PHE 490 N -2.37 0.27 -0.12 0.00 3.72 -0.44 -4.56 117.46 113.96 3fyi n PHE 490 Ca -0.02 -0.13 -0.08 0.00 -0.05 0.00 0.00 57.45 57.17 3fyi n PHE 490 Cb 0.05 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.58 3fyi n PHE 490 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fyi h ALA 491 N 4.10 0.48 0.22 4.37 0.00 -1.38 -3.04 119.26 124.01 3fyi h ALA 491 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fyi h ALA 491 Cb 0.56 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fyi h ALA 491 CO 0.00 -0.04 -0.16 1.15 0.00 0.00 0.00 179.25 180.20 3fyi h THR 492 N 0.50 0.65 0.00 0.00 2.02 -1.83 -1.51 112.91 112.74 3fyi h THR 492 Ca 0.14 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.19 3fyi h THR 492 Cb -0.02 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3fyi h THR 492 CO -0.03 0.00 -0.60 -0.50 0.37 0.00 0.00 175.52 174.76 3fyi h TRP 493 N -0.39 0.00 -0.73 3.16 -0.00 -1.92 -2.30 115.95 113.78 3fyi h TRP 493 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.89 58.84 3fyi h TRP 493 Cb 0.34 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.47 3fyi h TRP 493 CO -0.11 0.60 0.30 -0.91 -0.00 0.00 0.00 178.44 178.33 3fyi h ASN 494 N 0.00 1.00 -0.25 -3.49 2.35 -1.43 -0.24 115.58 113.52 3fyi h ASN 494 Ca -0.01 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3fyi h ASN 494 Cb 1.24 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 3fyi h ASN 494 CO 0.08 0.89 0.14 0.15 -1.65 0.00 0.00 177.43 177.03 3fyi h PHE 495 N 1.04 0.34 -0.14 1.19 3.57 -0.98 -0.73 116.94 121.23 3fyi h PHE 495 Ca 0.25 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 3fyi h PHE 495 Cb 0.19 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3fyi h PHE 495 CO 0.02 0.29 0.06 0.28 -2.23 0.00 0.00 178.31 176.72 3fyi h VAL 496 N 0.29 1.15 -0.61 1.41 2.07 -1.36 -1.64 116.25 117.55 3fyi h VAL 496 Ca 0.09 -0.45 0.11 0.00 0.82 0.00 0.00 66.70 67.27 3fyi h VAL 496 Cb 0.06 1.19 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 3fyi h VAL 496 CO -0.01 0.14 0.19 -1.28 0.02 0.00 0.00 177.57 176.62 3fyi h SER 497 N 0.08 0.13 -0.77 0.57 0.87 -0.92 -1.16 113.55 112.35 3fyi h SER 497 Ca 0.05 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3fyi h SER 497 Cb 0.17 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 3fyi h SER 497 CO -0.00 0.07 0.30 0.28 -0.53 0.00 0.00 176.83 176.95 3fyi h SER 498 N 0.34 1.06 -0.62 6.23 0.02 -0.91 -1.47 113.55 118.20 3fyi h SER 498 Ca 0.32 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3fyi h SER 498 Cb 0.44 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3fyi h SER 498 CO -0.36 0.95 0.35 -0.07 -1.14 0.00 0.00 176.83 176.56 3fyi h LEU 499 N 1.11 0.77 -0.67 5.07 3.38 -0.61 -1.23 115.31 123.13 3fyi h LEU 499 Ca 0.26 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.20 3fyi h LEU 499 Cb 0.22 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3fyi h LEU 499 CO -0.02 0.63 0.37 1.23 0.09 0.00 0.00 178.44 180.74 3fyi h GLY 500 N 0.85 0.99 1.12 0.83 0.00 -0.96 -1.20 103.07 104.70 3fyi h GLY 500 Ca 0.22 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3fyi h GLY 500 CO -0.04 0.14 0.40 0.00 0.00 0.00 0.00 176.54 177.05 3fyi h ALA 501 N 1.36 1.19 -0.43 3.60 0.00 -0.88 -0.06 119.26 124.04 3fyi h ALA 501 Ca 0.31 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 3fyi h ALA 501 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3fyi h ALA 501 CO -0.19 0.62 -0.21 0.74 0.00 0.00 0.00 179.25 180.21 3fyi h PHE 502 N 1.14 0.98 -0.13 0.00 0.04 -0.73 -1.01 116.94 117.22 3fyi h PHE 502 Ca 0.28 -0.22 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3fyi h PHE 502 Cb 0.09 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 3fyi h PHE 502 CO 0.01 0.99 0.03 1.25 -0.60 0.00 0.00 178.31 179.99 3fyi h LEU 503 N 0.75 0.20 -0.90 1.54 5.85 -1.00 -1.74 115.31 120.01 3fyi h LEU 503 Ca 0.10 -0.23 0.12 0.00 0.84 0.00 0.00 57.88 58.71 3fyi h LEU 503 Cb 0.75 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.64 3fyi h LEU 503 CO 0.06 0.38 0.53 0.28 -0.34 0.00 0.00 178.44 179.35 3fyi h SER 504 N 0.01 0.74 -0.35 1.25 0.02 -0.93 -1.16 113.55 113.13 3fyi h SER 504 Ca 0.04 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3fyi h SER 504 Cb 0.26 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3fyi h SER 504 CO 0.00 0.39 0.01 0.15 -1.14 0.00 0.00 176.83 176.24 3fyi h PHE 505 N 0.83 0.67 -0.75 3.45 3.57 -0.99 -1.69 116.94 122.02 3fyi h PHE 505 Ca 0.45 -0.11 0.11 0.00 3.53 0.00 0.00 57.97 61.96 3fyi h PHE 505 Cb 0.49 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 3fyi h PHE 505 CO -0.04 0.71 0.36 0.00 -2.23 0.00 0.00 178.31 177.11 3fyi h ALA 506 N 0.87 1.06 -0.63 2.41 0.00 -0.94 -0.86 119.26 121.17 3fyi h ALA 506 Ca 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3fyi h ALA 506 Cb 0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3fyi h ALA 506 CO 0.02 -0.08 0.29 0.66 0.00 0.00 0.00 179.25 180.14 3fyi h SER 507 N 0.58 0.81 -0.16 0.00 4.64 -0.82 -1.05 113.55 117.55 3fyi h SER 507 Ca 0.39 -0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 61.41 3fyi h SER 507 Cb 0.48 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3fyi h SER 507 CO -0.31 0.70 -0.70 0.15 -0.87 0.00 0.00 176.83 175.80 3fyi h PHE 508 N 0.89 1.04 -0.88 4.77 3.57 -0.77 0.10 116.94 125.67 3fyi h PHE 508 Ca 0.22 -0.43 -0.02 0.00 3.53 0.00 0.00 57.97 61.27 3fyi h PHE 508 Cb 0.11 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 3fyi h PHE 508 CO 0.01 1.25 0.48 -0.07 -2.23 0.00 0.00 178.31 177.75 3fyi h LEU 509 N 0.56 1.09 -0.19 0.59 3.38 -1.04 -1.21 115.31 118.50 3fyi h LEU 509 Ca -0.03 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3fyi h LEU 509 Cb 1.31 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3fyi h LEU 509 CO 0.14 0.88 0.10 0.15 0.09 0.00 0.00 178.44 179.81 3fyi h PHE 510 N 1.22 0.25 -0.65 1.13 3.57 -1.00 -2.20 116.94 119.27 3fyi h PHE 510 Ca 0.31 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.94 3fyi h PHE 510 Cb 0.03 -0.08 -0.11 0.00 2.79 0.00 0.00 35.95 38.58 3fyi h PHE 510 CO 0.01 0.23 0.04 0.35 -2.23 0.00 0.00 178.31 176.70 3fyi h PHE 511 N 0.20 0.02 -0.40 0.41 3.57 -0.54 0.10 116.94 120.31 3fyi h PHE 511 Ca 0.07 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3fyi h PHE 511 Cb 0.06 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 3fyi h PHE 511 CO -0.04 -0.16 0.03 -0.07 -2.23 0.00 0.00 178.31 175.84 3fyi h LEU 512 N 0.15 0.58 -0.47 0.59 3.38 -0.98 0.46 115.31 119.01 3fyi h LEU 512 Ca 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3fyi h LEU 512 Cb 0.58 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3fyi h LEU 512 CO -0.54 0.63 0.24 1.23 0.09 0.00 0.00 178.44 180.10 3fyi h GLY 513 N 0.88 0.72 0.97 0.83 0.00 -0.65 -1.08 103.07 104.74 3fyi h GLY 513 Ca 0.13 -0.34 0.01 0.00 0.00 0.00 0.00 47.33 47.13 3fyi h GLY 513 CO 0.01 0.33 0.37 -2.08 0.00 0.00 0.00 176.54 175.17 3fyi h VAL 514 N 0.62 1.12 -0.44 4.60 2.07 0.03 0.45 116.25 124.70 3fyi h VAL 514 Ca 0.16 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3fyi h VAL 514 Cb 0.09 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 3fyi h VAL 514 CO -0.02 0.14 0.08 0.40 0.02 0.00 0.00 177.57 178.18 3fyi h ILE 515 N 0.76 1.24 -0.14 4.57 1.08 -0.83 0.10 117.51 124.28 3fyi h ILE 515 Ca 0.22 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 3fyi h ILE 515 Cb -0.06 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 34.64 3fyi h ILE 515 CO -0.06 0.31 0.09 0.15 -0.69 0.00 0.00 178.15 177.95 3fyi h PHE 516 N 0.59 0.18 -0.03 1.37 3.57 -0.97 -0.65 116.94 120.99 3fyi h PHE 516 Ca 0.14 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.67 3fyi h PHE 516 Cb 0.37 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3fyi h PHE 516 CO 0.02 0.13 -0.14 -0.92 -2.23 0.00 0.00 178.31 175.17 3fyi h TYR 517 N 0.18 -0.36 -0.29 0.41 3.20 -0.80 -1.97 116.97 117.35 3fyi h TYR 517 Ca 0.05 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.97 3fyi h TYR 517 Cb -0.01 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3fyi h TYR 517 CO -0.06 -0.21 0.06 1.15 -1.64 0.00 0.00 178.16 177.46 3fyi h THR 518 N -0.22 0.87 0.00 1.81 2.02 -0.57 0.59 112.91 117.42 3fyi h THR 518 Ca 0.06 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3fyi h THR 518 Cb 0.30 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3fyi h THR 518 CO -0.16 0.03 -0.31 -0.07 0.37 0.00 0.00 175.52 175.38 3fyi h LEU 519 N 0.17 0.00 0.04 2.58 3.38 -1.03 -1.33 115.31 119.11 3fyi h LEU 519 Ca 0.13 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.73 3fyi h LEU 519 Cb 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3fyi h LEU 519 CO -0.17 0.31 -2.25 0.35 0.09 0.00 0.00 178.44 176.77 3fyi n THR 520 N -3.39 1.57 -2.16 0.22 -2.24 -0.75 -4.78 114.28 102.76 3fyi n THR 520 Ca 0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3fyi n THR 520 Cb 0.51 -1.33 -0.01 0.00 -2.10 0.00 0.00 70.33 67.41 3fyi n THR 520 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3fyi n ARG 521 N -3.22 0.00 -1.66 -0.78 1.85 0.15 -5.09 116.66 107.90 3fyi n ARG 521 Ca -0.37 -1.13 -0.33 0.00 -1.00 0.00 0.00 57.85 55.03 3fyi n ARG 521 Cb 1.04 -0.08 0.06 0.00 -1.05 0.00 0.00 32.46 32.42 3fyi n ARG 521 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3fyi s GLY 522 N -1.13 2.05 0.20 2.89 0.00 -0.50 -4.91 107.32 105.93 3fyi s GLY 522 Ca 0.11 0.48 -0.32 0.00 0.00 0.00 0.00 44.72 44.98 3fyi s GLY 522 CO -0.05 0.83 1.47 0.00 0.00 0.00 0.00 173.10 175.35 3fyi n ALA 523 N -2.63 1.12 -1.72 3.20 0.00 -1.21 -4.52 120.51 114.74 3fyi n ALA 523 Ca 0.10 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 3fyi n ALA 523 Cb 0.52 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 3fyi n ALA 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3fyi s ARG 524 N 0.15 4.12 0.00 0.00 3.52 -1.26 -0.79 118.95 124.69 3fyi s ARG 524 Ca 0.73 2.62 -0.26 0.00 -0.13 0.00 0.00 55.73 58.69 3fyi s ARG 524 Cb -0.67 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 3fyi s ARG 524 CO 0.45 -0.75 0.79 0.08 -0.81 0.00 0.00 175.30 175.06 3fyi s VAL 525 N 1.02 4.85 -0.03 7.11 1.01 0.52 -4.83 120.40 130.05 3fyi s VAL 525 Ca 0.73 1.67 0.05 0.00 0.00 0.00 0.00 61.98 64.43 3fyi s VAL 525 Cb -0.50 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 31.68 3fyi s VAL 525 CO 0.34 0.29 0.06 0.35 0.00 0.00 0.00 175.10 176.14 3fyi n THR 526 N 3.32 0.20 -3.50 3.92 -2.24 -1.26 -4.89 114.28 109.83 3fyi n THR 526 Ca -0.00 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.27 3fyi n THR 526 Cb 0.51 -0.35 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 3fyi n THR 526 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fyi s ALA 527 N -2.22 3.66 0.14 6.98 0.00 -1.26 -4.92 121.76 124.13 3fyi s ALA 527 Ca -0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.45 3fyi s ALA 527 Cb 0.02 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.79 3fyi s ALA 527 CO 0.21 0.54 1.74 -0.91 0.00 0.00 0.00 175.76 177.34 3fyi h ASN 528 N 3.15 0.48 -3.69 0.00 4.21 -1.85 -3.38 115.58 114.49 3fyi h ASN 528 Ca -0.48 -0.09 -0.66 0.00 1.21 0.00 0.00 56.30 56.28 3fyi h ASN 528 Cb 1.18 -0.12 -0.40 0.00 -1.12 0.00 0.00 38.32 37.86 3fyi h ASN 528 CO 0.68 0.44 -0.72 0.21 -1.29 0.00 0.00 177.43 176.75 3fyi s ASN 529 N -5.69 4.77 0.00 5.81 3.84 -1.22 -4.60 114.94 117.85 3fyi s ASN 529 Ca -0.13 -2.10 0.20 0.00 0.21 0.00 0.00 52.86 51.04 3fyi s ASN 529 Cb 0.10 -1.63 0.60 0.00 -0.55 0.00 0.00 41.25 39.77 3fyi s ASN 529 CO 0.73 -0.37 1.47 0.00 -2.79 0.00 0.00 177.10 176.14 3fyi n TYR 530 N 4.28 0.34 0.00 0.43 4.11 -1.26 -4.66 117.16 120.39 3fyi n TYR 530 Ca 0.02 -0.17 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3fyi n TYR 530 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.76 3fyi n TYR 530 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.86 177.77 3fyi n TRP 531 N 0.69 0.00 -3.83 -3.48 5.03 -1.26 -5.11 117.44 109.49 3fyi n TRP 531 Ca 0.17 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.63 3fyi n TRP 531 Cb 0.41 0.00 -0.00 0.00 -1.03 0.00 0.00 31.31 30.69 3fyi n TRP 531 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 3fyi s ASN 532 N -1.00 -0.13 0.60 -0.99 2.20 -1.26 -5.04 114.94 109.32 3fyi s ASN 532 Ca 0.00 -0.78 0.31 0.00 -0.94 0.00 0.00 52.86 51.45 3fyi s ASN 532 Cb 0.00 0.73 1.83 0.00 -2.00 0.00 0.00 41.25 41.80 3fyi s ASN 532 CO 0.00 -1.39 2.20 1.05 -2.94 0.00 0.00 177.10 176.02 3fyi h GLU 533 N 2.00 0.00 -0.00 3.55 9.09 -1.95 -1.75 114.58 125.52 3fyi h GLU 533 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.16 3fyi h GLU 533 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3fyi h GLU 533 CO 0.31 0.00 -0.07 0.72 0.05 0.00 0.00 179.01 180.02 3fyi n HIS 534 N -3.70 0.00 -2.79 2.06 8.25 -1.26 -4.05 115.22 113.72 3fyi n HIS 534 Ca -0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 3fyi n HIS 534 Cb 0.19 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 3fyi n HIS 534 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fyi s ALA 535 N -2.33 3.11 -0.43 -1.41 0.00 -0.66 -4.10 121.76 115.94 3fyi s ALA 535 Ca 0.33 -2.35 0.05 0.00 0.00 0.00 0.00 51.96 50.00 3fyi s ALA 535 Cb 0.21 -4.14 0.15 0.00 0.00 0.00 0.00 23.12 19.33 3fyi s ALA 535 CO 0.44 -3.12 1.13 -0.40 0.00 0.00 0.00 175.76 173.80 3fyi n ASP 536 N 7.57 2.46 -4.96 0.00 5.68 -1.26 -4.84 116.55 121.20 3fyi n ASP 536 Ca 0.19 -2.04 -0.23 0.00 -0.50 0.00 0.00 54.79 52.21 3fyi n ASP 536 Cb 0.49 -0.12 0.04 0.00 -1.14 0.00 0.00 41.12 40.38 3fyi n ASP 536 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3fyi s THR 537 N -1.07 2.89 0.21 2.12 -4.23 -1.26 -5.01 115.64 109.29 3fyi s THR 537 Ca 0.12 -0.49 0.33 0.00 -1.18 0.00 0.00 61.69 60.47 3fyi s THR 537 Cb 0.07 -3.12 0.37 0.00 1.34 0.00 0.00 72.50 71.15 3fyi s THR 537 CO 0.07 -0.10 2.02 -0.07 -0.54 0.00 0.00 174.62 176.01 3fyi h LEU 538 N -0.05 0.00 -1.53 4.79 3.38 -1.84 -2.61 115.31 117.45 3fyi h LEU 538 Ca -0.44 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3fyi h LEU 538 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3fyi h LEU 538 CO 0.56 0.05 -0.22 1.05 0.09 0.00 0.00 178.44 179.96 3fyi h GLU 539 N 0.00 0.00 0.00 1.13 9.09 -1.95 -2.10 114.58 120.75 3fyi h GLU 539 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3fyi h GLU 539 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3fyi h GLU 539 CO 0.01 0.22 0.00 0.91 0.05 0.00 0.00 179.01 180.19 3fyi n TRP 540 N -3.70 0.00 1.11 2.06 7.02 -0.98 -2.33 117.44 120.62 3fyi n TRP 540 Ca -0.01 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.59 3fyi n TRP 540 Cb 0.33 -0.37 0.17 0.00 -2.42 0.00 0.00 31.31 29.02 3fyi n TRP 540 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3fyi n THR 541 N -1.37 0.00 -3.05 -0.99 -2.24 -0.79 -3.40 114.28 102.43 3fyi n THR 541 Ca 0.11 -0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.56 3fyi n THR 541 Cb 0.28 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.29 3fyi n THR 541 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fyi s LEU 542 N -2.58 3.67 1.05 3.22 1.43 -0.99 -5.04 118.68 119.45 3fyi s LEU 542 Ca 0.19 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.86 3fyi s LEU 542 Cb 0.18 -2.72 0.21 0.00 0.03 0.00 0.00 46.19 43.90 3fyi s LEU 542 CO 0.59 -0.74 1.09 0.42 0.23 0.00 0.00 176.35 177.94 3fyi s THR 543 N -2.37 1.95 -0.32 5.49 -4.23 -1.26 -4.44 115.64 110.45 3fyi s THR 543 Ca 0.53 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.07 3fyi s THR 543 Cb -0.10 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.37 3fyi s THR 543 CO 0.33 0.00 0.04 -0.44 -0.54 0.00 0.00 174.62 174.01 3fyi s SER 544 N -3.46 4.48 0.80 3.99 0.01 -1.26 -1.72 113.70 116.55 3fyi s SER 544 Ca 0.66 -1.88 -0.11 0.00 1.31 0.00 0.00 55.95 55.94 3fyi s SER 544 Cb -0.18 -1.41 0.07 0.00 0.21 0.00 0.00 66.02 64.71 3fyi s SER 544 CO 0.58 -0.36 1.09 -2.16 0.41 0.00 0.00 173.24 172.80 3fyi s PRO 545 N 1.12 2.06 0.78 12.44 0.04 -1.25 -4.25 135.00 145.95 3fyi s PRO 545 Ca 0.07 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.83 3fyi s PRO 545 Cb -0.19 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.52 3fyi s PRO 545 CO -0.11 -1.69 1.13 -2.14 0.04 0.00 0.00 177.00 174.23 3fyi s PRO 546 N -5.03 2.06 0.70 0.56 0.02 -0.70 -4.98 135.00 127.64 3fyi s PRO 546 Ca 0.61 1.40 -0.16 0.00 0.02 0.00 0.00 61.00 62.87 3fyi s PRO 546 Cb -0.16 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.53 3fyi s PRO 546 CO 0.55 -1.83 1.24 -1.25 -0.33 0.00 0.00 177.00 175.38 3fyi s PRO 547 N -4.52 2.26 0.29 5.54 0.04 -1.26 -4.89 135.00 132.47 3fyi s PRO 547 Ca 0.66 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.60 3fyi s PRO 547 Cb -0.21 -1.84 0.73 0.00 0.04 0.00 0.00 34.50 33.22 3fyi s PRO 547 CO 0.52 -1.77 1.67 0.93 0.04 0.00 0.00 177.00 178.39 3fyi h GLU 548 N -0.02 0.29 -4.91 4.56 5.08 -2.03 -3.32 114.58 114.23 3fyi h GLU 548 Ca -0.49 -0.02 -0.67 0.00 -1.00 0.00 0.00 59.36 57.18 3fyi h GLU 548 Cb 1.31 -0.07 -0.31 0.00 0.50 0.00 0.00 28.75 30.18 3fyi h GLU 548 CO 0.51 0.19 -0.73 -1.01 -1.00 0.00 0.00 179.01 176.97 3fyi s HIS 549 N -5.90 3.06 0.30 4.33 3.76 -1.26 -5.04 115.29 114.53 3fyi s HIS 549 Ca -0.12 -1.43 0.06 0.00 -0.15 0.00 0.00 55.06 53.42 3fyi s HIS 549 Cb 0.26 -2.08 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 3fyi s HIS 549 CO 0.77 -0.70 0.42 0.95 -0.85 0.00 0.00 174.74 175.34 3fyi s THR 550 N 1.36 4.46 0.00 1.30 -4.23 -1.25 -5.18 115.64 112.09 3fyi s THR 550 Ca 0.01 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 3fyi s THR 550 Cb -0.16 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.13 3fyi s THR 550 CO -0.04 -0.22 0.00 0.49 -0.54 0.00 0.00 174.62 174.31