#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fye n THR 18 N 0.00 0.11 0.82 -2.13 5.66 -1.26 -1.91 114.28 115.57 3fye n THR 18 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 3fye n THR 18 Cb 0.00 -0.35 0.16 0.00 -1.55 0.00 0.00 70.33 68.59 3fye n THR 18 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3fye n ARG 19 N 0.61 1.90 -0.02 1.09 1.74 -1.26 -3.82 116.66 116.90 3fye n ARG 19 Ca 0.00 -1.27 -0.17 0.00 -0.77 0.00 0.00 57.85 55.64 3fye n ARG 19 Cb 0.09 -1.33 -0.08 0.00 -1.02 0.00 0.00 32.46 30.12 3fye n ARG 19 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3fye h TRP 20 N 2.02 0.91 0.00 -1.55 4.06 -1.81 -3.31 115.95 116.26 3fye h TRP 20 Ca 0.00 -0.41 0.00 0.00 2.06 0.00 0.00 58.89 60.54 3fye h TRP 20 Cb 0.54 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 3fye h TRP 20 CO 0.26 1.22 -0.02 0.74 -3.56 0.00 0.00 178.44 177.08 3fye h PHE 21 N 0.35 0.00 -0.02 0.49 0.04 -1.85 -3.01 116.94 112.93 3fye h PHE 21 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3fye h PHE 21 Cb 1.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.46 3fye h PHE 21 CO 0.10 0.00 -0.14 -1.33 -0.60 0.00 0.00 178.31 176.34 3fye n MET 22 N -3.01 1.58 -2.36 1.51 2.81 -1.26 -4.97 117.12 111.42 3fye n MET 22 Ca 0.04 -1.13 -0.37 0.00 -1.81 0.00 0.00 57.70 54.43 3fye n MET 22 Cb 0.52 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.53 3fye n MET 22 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3fye s SER 23 N -2.20 6.40 0.00 7.83 0.15 -1.14 -4.96 113.70 119.78 3fye s SER 23 Ca 0.29 2.22 0.09 0.00 0.70 0.00 0.00 55.95 59.24 3fye s SER 23 Cb 0.20 -2.60 0.04 0.00 -1.71 0.00 0.00 66.02 61.95 3fye s SER 23 CO 0.41 -0.75 0.70 0.35 1.20 0.00 0.00 173.24 175.15 3fye n THR 24 N -0.30 0.00 -2.12 6.45 -2.24 -1.26 -4.71 114.28 110.10 3fye n THR 24 Ca 0.06 -0.47 -0.42 0.00 -2.27 0.00 0.00 64.05 60.96 3fye n THR 24 Cb 0.48 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 3fye n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3fye s ASN 25 N -0.93 6.78 0.45 3.42 3.84 -1.26 -4.71 114.94 122.53 3fye s ASN 25 Ca 0.09 2.38 0.23 0.00 0.21 0.00 0.00 52.86 55.77 3fye s ASN 25 Cb 0.07 -2.59 1.23 0.00 -0.55 0.00 0.00 41.25 39.42 3fye s ASN 25 CO 0.15 -0.69 1.84 1.12 -2.79 0.00 0.00 177.10 176.73 3fye h HIS 26 N 6.86 0.38 -0.24 0.43 2.07 -1.91 -0.83 115.15 121.91 3fye h HIS 26 Ca -0.42 0.01 -0.11 0.00 -2.85 0.00 0.00 60.37 57.01 3fye h HIS 26 Cb 1.21 -0.11 -0.00 0.00 2.57 0.00 0.00 27.41 31.07 3fye h HIS 26 CO 0.66 0.07 -0.27 0.87 -3.07 0.00 0.00 177.93 176.19 3fye h LYS 27 N 0.26 0.60 -0.51 5.12 1.57 -1.85 -1.09 116.57 120.67 3fye h LYS 27 Ca 0.50 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 3fye h LYS 27 Cb 1.50 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 3fye h LYS 27 CO -0.15 0.93 -0.13 -0.44 -0.57 0.00 0.00 179.45 179.09 3fye h ASP 28 N 0.30 0.99 -0.49 0.86 3.32 -1.59 -2.11 116.42 117.70 3fye h ASP 28 Ca 0.03 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 3fye h ASP 28 Cb 0.83 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3fye h ASP 28 CO 0.06 1.13 0.07 0.40 -1.72 0.00 0.00 179.24 179.18 3fye h ILE 29 N 0.84 1.25 -0.70 0.35 2.04 -1.25 -1.72 117.51 118.32 3fye h ILE 29 Ca 0.13 -0.94 0.08 0.00 1.00 0.00 0.00 64.86 65.13 3fye h ILE 29 Cb 0.70 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 3fye h ILE 29 CO 0.05 0.33 0.37 1.23 0.00 0.00 0.00 178.15 180.14 3fye h GLY 30 N 0.68 1.04 1.07 5.37 0.00 -1.13 -1.08 103.07 109.02 3fye h GLY 30 Ca 0.15 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.12 3fye h GLY 30 CO 0.01 0.11 -0.13 -2.08 0.00 0.00 0.00 176.54 174.46 3fye h VAL 31 N 0.66 1.27 -0.47 4.60 2.07 -1.24 -1.82 116.25 121.33 3fye h VAL 31 Ca 0.33 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.58 3fye h VAL 31 Cb 0.28 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3fye h VAL 31 CO -0.22 0.44 0.29 -0.07 0.02 0.00 0.00 177.57 178.03 3fye h LEU 32 N 0.82 0.55 -0.84 2.57 3.38 -0.87 -1.43 115.31 119.50 3fye h LEU 32 Ca 0.12 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3fye h LEU 32 Cb 0.69 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3fye h LEU 32 CO 0.05 0.43 0.45 1.88 0.09 0.00 0.00 178.44 181.34 3fye h TYR 33 N 0.63 1.16 -0.21 1.13 -1.99 -1.11 -1.24 116.97 115.33 3fye h TYR 33 Ca 0.17 -0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.83 3fye h TYR 33 Cb -0.03 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 38.32 3fye h TYR 33 CO -0.03 0.81 -0.00 -0.07 -0.00 0.00 0.00 178.16 178.87 3fye h LEU 34 N 1.17 0.36 -0.97 3.88 3.38 -0.96 0.25 115.31 122.42 3fye h LEU 34 Ca 0.29 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fye h LEU 34 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3fye h LEU 34 CO -0.05 0.58 -0.07 -0.26 0.09 0.00 0.00 178.44 178.74 3fye h PHE 35 N 0.13 0.71 -0.01 1.13 0.04 -1.21 -0.74 116.94 116.98 3fye h PHE 35 Ca 0.06 -0.11 -0.17 0.00 2.80 0.00 0.00 57.97 60.55 3fye h PHE 35 Cb 0.40 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 38.37 3fye h PHE 35 CO 0.04 0.72 -0.65 1.15 -0.60 0.00 0.00 178.31 178.96 3fye h THR 36 N 0.61 1.40 -0.92 -1.55 2.02 -1.10 -1.45 112.91 111.92 3fye h THR 36 Ca 0.11 -2.09 0.01 0.00 0.77 0.00 0.00 66.41 65.22 3fye h THR 36 Cb 0.49 2.54 -0.05 0.00 -1.74 0.00 0.00 68.15 69.40 3fye h THR 36 CO 0.03 0.61 0.61 1.23 0.37 0.00 0.00 175.52 178.37 3fye h GLY 37 N -0.03 1.30 1.01 2.16 0.00 -0.91 0.01 103.07 106.61 3fye h GLY 37 Ca -0.08 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3fye h GLY 37 CO 0.13 0.48 0.49 -1.33 0.00 0.00 0.00 176.54 176.30 3fye h GLY 38 N 1.25 1.19 0.87 4.60 0.00 -1.06 0.18 103.07 110.11 3fye h GLY 38 Ca 0.34 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 47.03 3fye h GLY 38 CO -0.07 0.48 -0.47 -2.00 0.00 0.00 0.00 176.54 174.48 3fye h LEU 39 N 1.12 0.62 -0.84 3.11 5.85 -0.58 -0.93 115.31 123.66 3fye h LEU 39 Ca 0.29 -0.63 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 3fye h LEU 39 Cb -0.03 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3fye h LEU 39 CO -0.05 1.14 0.29 0.58 -0.34 0.00 0.00 178.44 180.06 3fye h VAL 40 N 0.13 1.26 -0.45 1.05 2.07 -1.00 -2.31 116.25 116.99 3fye h VAL 40 Ca -0.03 -0.83 0.07 0.00 0.82 0.00 0.00 66.70 66.73 3fye h VAL 40 Cb 1.11 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3fye h VAL 40 CO 0.10 0.33 0.13 1.23 0.02 0.00 0.00 177.57 179.38 3fye h GLY 41 N 1.14 0.57 0.53 2.17 0.00 -0.53 0.02 103.07 106.96 3fye h GLY 41 Ca 0.25 -0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.60 3fye h GLY 41 CO -0.02 -0.02 0.30 -2.00 0.00 0.00 0.00 176.54 174.80 3fye h LEU 42 N 0.28 0.38 -0.26 3.11 5.85 -0.84 0.12 115.31 123.94 3fye h LEU 42 Ca 0.22 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3fye h LEU 42 Cb 0.25 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3fye h LEU 42 CO -0.25 0.24 0.11 0.40 -0.34 0.00 0.00 178.44 178.59 3fye h ILE 43 N 0.53 1.17 -0.53 4.05 2.04 -0.84 -0.82 117.51 123.11 3fye h ILE 43 Ca 0.30 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.56 3fye h ILE 43 Cb 0.30 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3fye h ILE 43 CO -0.25 0.17 -0.05 -1.28 0.00 0.00 0.00 178.15 176.74 3fye h SER 44 N 0.28 0.97 -0.69 1.72 0.87 -0.71 -2.13 113.55 113.85 3fye h SER 44 Ca 0.09 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 3fye h SER 44 Cb 0.17 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 3fye h SER 44 CO -0.01 1.07 0.45 0.58 -0.53 0.00 0.00 176.83 178.39 3fye h VAL 45 N 0.85 1.18 -0.77 2.23 2.07 -0.74 -2.06 116.25 119.01 3fye h VAL 45 Ca 0.14 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3fye h VAL 45 Cb 0.60 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3fye h VAL 45 CO 0.04 0.18 0.51 0.00 0.02 0.00 0.00 177.57 178.31 3fye h ALA 46 N 1.25 1.64 -0.75 1.67 0.00 -0.87 -0.61 119.26 121.58 3fye h ALA 46 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3fye h ALA 46 Cb -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3fye h ALA 46 CO -0.05 0.24 0.47 0.74 0.00 0.00 0.00 179.25 180.65 3fye h PHE 47 N 0.84 0.97 -0.22 0.00 -1.00 -0.73 -2.34 116.94 114.46 3fye h PHE 47 Ca 0.33 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 61.05 3fye h PHE 47 Cb 0.22 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 3fye h PHE 47 CO -0.00 0.64 -0.15 1.79 -1.61 0.00 0.00 178.31 178.98 3fye h THR 48 N 1.02 1.21 -0.04 -1.55 1.35 -0.56 -0.83 112.91 113.51 3fye h THR 48 Ca 0.27 -0.95 -0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3fye h THR 48 Cb -0.07 1.21 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 3fye h THR 48 CO -0.05 0.30 0.02 0.58 -0.25 0.00 0.00 175.52 176.12 3fye h VAL 49 N 0.34 1.10 -0.49 6.82 2.07 -0.91 0.58 116.25 125.76 3fye h VAL 49 Ca 0.06 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3fye h VAL 49 Cb 0.46 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3fye h VAL 49 CO 0.03 0.08 0.32 0.22 0.02 0.00 0.00 177.57 178.24 3fye h TYR 50 N -0.06 0.60 -0.44 1.57 3.20 -1.24 0.55 116.97 121.15 3fye h TYR 50 Ca 0.01 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.99 3fye h TYR 50 Cb 0.12 -0.20 -0.08 0.00 1.54 0.00 0.00 36.73 38.11 3fye h TYR 50 CO -0.03 0.36 -0.05 0.52 -1.64 0.00 0.00 178.16 177.31 3fye h MET 51 N 0.64 0.05 0.00 1.82 2.86 -1.07 -1.90 114.93 117.33 3fye h MET 51 Ca 0.19 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.77 3fye h MET 51 Cb -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3fye h MET 51 CO -0.06 0.03 -0.26 0.00 1.06 0.00 0.00 176.91 177.69 3fye h ARG 52 N 0.05 0.00 -0.02 1.72 2.47 -0.37 -0.12 114.38 118.12 3fye h ARG 52 Ca 0.22 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.94 3fye h ARG 52 Cb 0.33 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 3fye h ARG 52 CO -0.41 0.26 0.01 0.52 0.56 0.00 0.00 179.97 180.91 3fye h MET 53 N 0.00 0.03 -0.38 0.04 2.86 -0.46 -0.42 114.93 116.61 3fye h MET 53 Ca -0.00 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 3fye h MET 53 Cb 0.88 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 3fye h MET 53 CO 0.03 0.08 -0.19 1.49 1.06 0.00 0.00 176.91 179.37 3fye h GLU 54 N -0.03 0.72 -0.00 1.72 4.57 -1.03 -2.87 114.58 117.66 3fye h GLU 54 Ca 0.01 -0.27 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3fye h GLU 54 Cb 0.06 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3fye h GLU 54 CO -0.00 0.86 -0.01 1.28 -1.18 0.00 0.00 179.01 179.96 3fye n LEU 55 N -4.13 0.01 -0.26 1.64 4.77 -0.09 -4.04 117.00 114.91 3fye n LEU 55 Ca 0.00 0.43 0.12 0.00 -0.03 0.00 0.00 56.01 56.53 3fye n LEU 55 Cb 0.41 -0.43 0.39 0.00 -2.33 0.00 0.00 43.42 41.45 3fye n LEU 55 CO 0.44 0.00 1.22 -0.03 -1.33 0.00 0.00 177.39 177.69 3fye h MET 56 N 0.01 0.65 -3.81 3.23 4.05 -0.83 -3.41 114.93 114.82 3fye h MET 56 Ca 0.00 -0.04 -0.20 0.00 -0.28 0.00 0.00 59.70 59.18 3fye h MET 56 Cb 0.44 -0.15 -0.25 0.00 -0.80 0.00 0.00 31.60 30.85 3fye h MET 56 CO 0.00 0.43 -0.69 0.00 0.23 0.00 0.00 176.91 176.88 3fye s ALA 57 N -5.65 0.02 0.79 0.39 0.00 -1.26 -3.47 121.76 112.58 3fye s ALA 57 Ca -0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 3fye s ALA 57 Cb 0.22 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.47 3fye s ALA 57 CO 0.79 -0.08 1.18 -1.25 0.00 0.00 0.00 175.76 176.39 3fye s PRO 58 N -0.69 1.79 0.00 0.00 0.04 -1.26 -4.77 135.00 130.11 3fye s PRO 58 Ca -0.08 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.60 3fye s PRO 58 Cb -0.05 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.69 3fye s PRO 58 CO -0.00 -2.08 0.00 0.41 0.04 0.00 0.00 177.00 175.37 3fye n GLY 59 N 0.18 -1.95 3.69 0.56 0.00 -1.26 -4.95 105.19 101.45 3fye n GLY 59 Ca 0.12 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 3fye n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fye s VAL 60 N -3.38 5.28 0.00 1.61 1.01 -1.26 -4.94 120.40 118.72 3fye s VAL 60 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3fye s VAL 60 Cb 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3fye s VAL 60 CO 0.00 0.32 0.00 0.00 0.00 0.00 0.00 175.10 175.42 3fye n GLN 61 N 4.13 1.93 -0.07 2.72 3.00 -1.26 -4.51 117.38 123.32 3fye n GLN 61 Ca -0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.75 3fye n GLN 61 Cb 0.52 -0.95 -0.06 0.00 0.00 0.00 0.00 30.24 29.75 3fye n GLN 61 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3fye n PHE 62 N -1.56 0.00 -2.23 1.08 3.01 -1.26 -0.44 117.46 116.06 3fye n PHE 62 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 3fye n PHE 62 Cb 0.20 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 3fye n PHE 62 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3fye n MET 63 N -3.31 3.62 -3.51 -1.08 2.81 -1.26 -4.66 117.12 109.73 3fye n MET 63 Ca -0.27 -3.41 -0.37 0.00 -1.81 0.00 0.00 57.70 51.83 3fye n MET 63 Cb 0.74 -2.94 -0.06 0.00 -0.71 0.00 0.00 33.22 30.25 3fye n MET 63 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3fye h ALA 65 N 5.98 2.02 -0.46 0.00 0.00 -0.43 -2.08 119.26 124.29 3fye h ALA 65 Ca -0.45 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.58 3fye h ALA 65 Cb 1.19 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 3fye h ALA 65 CO 0.70 -0.21 0.33 0.93 0.00 0.00 0.00 179.25 181.01 3fye h GLU 66 N 0.00 0.05 0.00 0.00 3.07 -1.90 -1.51 114.58 114.29 3fye h GLU 66 Ca 0.07 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3fye h GLU 66 Cb 0.32 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3fye h GLU 66 CO -0.00 0.03 0.00 0.45 -1.40 0.00 0.00 179.01 178.09 3fye h HIS 67 N 0.05 0.00 -0.15 4.33 3.86 -1.74 -2.89 115.15 118.62 3fye h HIS 67 Ca 0.22 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 3fye h HIS 67 Cb 0.81 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 3fye h HIS 67 CO -0.00 0.00 -0.25 -0.07 0.86 0.00 0.00 177.93 178.47 3fye h LEU 68 N 0.00 0.26 -1.82 2.43 3.38 -1.44 -3.09 115.31 115.04 3fye h LEU 68 Ca 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3fye h LEU 68 Cb 0.46 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3fye h LEU 68 CO 0.00 0.52 -0.10 -0.33 0.09 0.00 0.00 178.44 178.62 3fye h GLU 69 N 0.24 0.00 -7.62 1.13 5.08 -1.66 -3.44 114.58 108.32 3fye h GLU 69 Ca 0.04 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.97 3fye h GLU 69 Cb 0.58 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.01 3fye h GLU 69 CO 0.04 0.10 0.27 -1.12 -1.00 0.00 0.00 179.01 177.31 3fye s SER 70 N -6.97 1.85 1.24 1.42 0.01 -1.17 -5.07 113.70 105.03 3fye s SER 70 Ca -0.04 0.40 -0.19 0.00 1.31 0.00 0.00 55.95 57.42 3fye s SER 70 Cb 0.16 -0.50 0.30 0.00 0.21 0.00 0.00 66.02 66.19 3fye s SER 70 CO 0.68 -3.53 1.06 -0.83 0.41 0.00 0.00 173.24 171.03 3fye s GLY 71 N -4.42 1.54 0.08 3.44 0.00 -1.26 -4.64 107.32 102.06 3fye s GLY 71 Ca 0.73 -0.86 -0.20 0.00 0.00 0.00 0.00 44.72 44.39 3fye s GLY 71 CO 0.55 0.03 1.55 -2.00 0.00 0.00 0.00 173.10 173.23 3fye h LEU 72 N -2.75 0.32 -0.02 0.66 5.85 -1.93 0.21 115.31 117.65 3fye h LEU 72 Ca -0.46 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 57.98 3fye h LEU 72 Cb 1.31 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3fye h LEU 72 CO 0.35 0.50 -0.09 0.58 -0.34 0.00 0.00 178.44 179.43 3fye h VAL 73 N 0.14 1.50 -0.38 1.05 2.07 -1.99 -2.48 116.25 116.16 3fye h VAL 73 Ca 0.06 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.96 3fye h VAL 73 Cb 0.31 2.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3fye h VAL 73 CO 0.00 0.43 0.19 0.11 0.02 0.00 0.00 177.57 178.32 3fye h LYS 74 N -0.52 0.54 -0.35 1.57 1.57 -1.93 -2.03 116.57 115.43 3fye h LYS 74 Ca -0.01 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 3fye h LYS 74 Cb 0.75 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 3fye h LYS 74 CO 0.02 0.47 0.05 0.78 -0.57 0.00 0.00 179.45 180.20 3fye h GLY 75 N 0.48 0.39 -0.07 3.86 0.00 -0.69 -1.69 103.07 105.35 3fye h GLY 75 Ca 0.13 -0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.59 3fye h GLY 75 CO -0.02 -0.04 -0.03 -2.75 0.00 0.00 0.00 176.54 173.70 3fye h PHE 76 N 0.16 -0.09 -0.12 5.60 3.57 -1.17 -2.42 116.94 122.46 3fye h PHE 76 Ca 0.17 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.52 3fye h PHE 76 Cb 0.21 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 3fye h PHE 76 CO -0.21 -0.18 -0.71 0.74 -2.23 0.00 0.00 178.31 175.72 3fye h PHE 77 N 0.09 0.74 -0.04 0.41 0.04 -0.90 -2.93 116.94 114.35 3fye h PHE 77 Ca 0.31 -0.31 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 3fye h PHE 77 Cb 0.50 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3fye h PHE 77 CO -0.39 1.09 -0.28 1.96 -0.60 0.00 0.00 178.31 180.10 3fye h GLN 78 N 0.39 0.06 0.00 1.51 4.20 -1.22 -2.92 115.11 117.13 3fye h GLN 78 Ca -0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3fye h GLN 78 Cb 1.30 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3fye h GLN 78 CO 0.13 0.34 0.00 -1.13 -0.67 0.00 0.00 178.83 177.51 3fye n SER 79 N -4.18 0.00 -0.34 1.46 3.41 -0.92 -2.50 113.62 110.55 3fye n SER 79 Ca -0.02 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 58.95 3fye n SER 79 Cb 0.34 -0.39 0.25 0.00 -0.26 0.00 0.00 64.21 64.16 3fye n SER 79 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fye n LEU 80 N -1.39 1.38 -4.32 1.04 4.32 -1.10 -4.70 117.00 112.22 3fye n LEU 80 Ca 0.07 -0.44 -0.32 0.00 -0.02 0.00 0.00 56.01 55.30 3fye n LEU 80 Cb 0.19 -0.08 -0.15 0.00 -1.62 0.00 0.00 43.42 41.76 3fye n LEU 80 CO 0.17 0.26 -0.50 0.86 -1.22 0.00 0.00 177.39 176.95 3fye s TRP 81 N -2.48 2.65 0.32 -1.77 -0.11 -1.04 -5.11 118.94 111.40 3fye s TRP 81 Ca 0.23 -0.71 -0.29 0.00 1.22 0.00 0.00 56.10 56.55 3fye s TRP 81 Cb 0.19 -1.73 -0.10 0.00 -1.50 0.00 0.00 33.47 30.33 3fye s TRP 81 CO 0.53 -0.22 1.21 -1.25 -4.62 0.00 0.00 176.95 172.61 3fye s PRO 82 N 0.10 4.44 0.18 5.86 0.04 -1.26 -4.77 135.00 139.59 3fye s PRO 82 Ca -0.09 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.03 3fye s PRO 82 Cb -0.15 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 3fye s PRO 82 CO 0.05 -0.04 0.15 -1.12 0.04 0.00 0.00 177.00 176.08 3fye s SER 83 N -0.70 5.52 0.60 6.66 0.01 0.42 -5.02 113.70 121.19 3fye s SER 83 Ca 0.48 -0.16 -0.20 0.00 1.31 0.00 0.00 55.95 57.39 3fye s SER 83 Cb -0.36 -1.43 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 3fye s SER 83 CO 0.47 0.04 1.32 0.00 0.41 0.00 0.00 173.24 175.49 3fye n ALA 84 N -0.53 1.36 -0.34 1.44 0.00 -1.26 -4.56 120.51 116.61 3fye n ALA 84 Ca -0.08 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3fye n ALA 84 Cb 0.55 -2.34 0.33 0.00 0.00 0.00 0.00 19.45 17.99 3fye n ALA 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fye h VAL 85 N 0.98 0.75 0.00 0.00 2.07 -1.90 -1.24 116.25 116.91 3fye h VAL 85 Ca -0.51 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3fye h VAL 85 Cb 1.32 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3fye h VAL 85 CO 0.55 0.14 0.00 1.05 0.02 0.00 0.00 177.57 179.33 3fye h GLU 86 N 0.78 0.00 -0.40 1.57 9.09 -1.92 -1.47 114.58 122.22 3fye h GLU 86 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.96 3fye h GLU 86 Cb 0.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.95 3fye h GLU 86 CO -0.34 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.81 3fye n ASN 87 N -2.53 3.17 -3.83 3.06 3.02 -0.50 -4.90 115.26 112.75 3fye n ASN 87 Ca 0.01 -2.08 -0.30 0.00 -0.03 0.00 0.00 54.58 52.18 3fye n ASN 87 Cb 0.21 -0.29 -0.15 0.00 -0.61 0.00 0.00 39.78 38.94 3fye n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fye s THR 89 N 1.13 4.24 0.20 0.00 2.01 -1.26 -4.88 115.64 117.09 3fye s THR 89 Ca 0.12 1.44 -0.32 0.00 0.31 0.00 0.00 61.69 63.23 3fye s THR 89 Cb -0.19 -4.15 -0.13 0.00 0.01 0.00 0.00 72.50 68.05 3fye s THR 89 CO -0.15 -0.37 1.66 -2.65 -0.69 0.00 0.00 174.62 172.42 3fye n PRO 90 N 7.03 2.57 -3.69 4.92 -0.02 -1.26 0.29 135.00 144.83 3fye n PRO 90 Ca 0.14 0.92 -0.37 0.00 -2.02 0.00 0.00 63.50 62.18 3fye n PRO 90 Cb 0.46 -2.74 -0.09 0.00 -0.02 0.00 0.00 33.50 31.12 3fye n PRO 90 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3fye s ASN 91 N 1.00 5.41 0.51 2.55 2.47 0.48 -4.65 114.94 122.71 3fye s ASN 91 Ca 0.75 -2.99 0.23 0.00 0.42 0.00 0.00 52.86 51.27 3fye s ASN 91 Cb -0.56 -1.88 1.36 0.00 -1.45 0.00 0.00 41.25 38.72 3fye s ASN 91 CO 0.36 -0.35 2.09 1.23 -3.72 0.00 0.00 177.10 176.71 3fye h GLY 92 N 6.90 0.00 1.00 1.21 0.00 -1.92 -2.81 103.07 107.44 3fye h GLY 92 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3fye h GLY 92 CO 0.73 0.00 0.33 0.84 0.00 0.00 0.00 176.54 178.44 3fye h HIS 93 N 0.00 0.89 -0.35 5.60 -0.00 -1.97 -1.81 115.15 117.50 3fye h HIS 93 Ca -0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 3fye h HIS 93 Cb 0.25 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3fye h HIS 93 CO 0.00 0.65 0.18 1.25 -0.00 0.00 0.00 177.93 180.01 3fye h LEU 94 N 0.87 0.44 -0.40 0.26 5.85 -1.87 -0.43 115.31 120.03 3fye h LEU 94 Ca 0.22 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3fye h LEU 94 Cb 0.07 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.90 3fye h LEU 94 CO -0.03 0.42 -0.35 -0.25 -0.34 0.00 0.00 178.44 177.89 3fye h TRP 95 N 0.44 -0.97 -0.61 1.25 2.91 -1.54 0.82 115.95 118.24 3fye h TRP 95 Ca 0.12 0.06 -0.04 0.00 1.13 0.00 0.00 58.89 60.16 3fye h TRP 95 Cb 0.08 0.48 -0.03 0.00 -0.51 0.00 0.00 29.16 29.18 3fye h TRP 95 CO -0.02 -0.40 0.23 -0.91 -1.03 0.00 0.00 178.44 176.31 3fye h ASN 96 N -0.27 0.82 -0.58 2.65 2.35 -1.07 -1.69 115.58 117.78 3fye h ASN 96 Ca 0.17 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3fye h ASN 96 Cb 0.55 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3fye h ASN 96 CO -0.55 0.75 0.28 0.58 -1.65 0.00 0.00 177.43 176.84 3fye h VAL 97 N 0.88 1.21 -0.18 2.81 2.07 -0.49 -2.00 116.25 120.56 3fye h VAL 97 Ca 0.21 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 3fye h VAL 97 Cb 0.19 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3fye h VAL 97 CO -0.02 0.24 -0.04 0.24 0.02 0.00 0.00 177.57 178.01 3fye h MET 98 N 0.79 0.34 -0.28 1.57 2.86 -0.29 0.27 114.93 120.20 3fye h MET 98 Ca 0.20 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.59 3fye h MET 98 Cb 0.11 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 3fye h MET 98 CO -0.03 0.60 -0.33 -0.84 1.06 0.00 0.00 176.91 177.37 3fye h ILE 99 N 0.05 1.29 -0.34 -1.22 -0.00 -1.38 0.25 117.51 116.16 3fye h ILE 99 Ca 0.05 -1.46 -0.01 0.00 -0.00 0.00 0.00 64.86 63.43 3fye h ILE 99 Cb 0.48 1.43 -0.02 0.00 -0.00 0.00 0.00 36.82 38.71 3fye h ILE 99 CO 0.02 0.47 0.17 0.74 -0.00 0.00 0.00 178.15 179.55 3fye h THR 100 N 0.52 1.15 -0.19 0.16 2.02 -1.27 -0.86 112.91 114.44 3fye h THR 100 Ca 0.06 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3fye h THR 100 Cb 0.83 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3fye h THR 100 CO 0.07 0.16 0.12 1.23 0.37 0.00 0.00 175.52 177.46 3fye h GLY 101 N 0.42 0.27 0.36 2.16 0.00 -0.63 -1.18 103.07 104.47 3fye h GLY 101 Ca 0.12 -0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3fye h GLY 101 CO -0.02 0.11 -0.22 0.84 0.00 0.00 0.00 176.54 177.25 3fye h HIS 102 N 0.23 -0.59 0.09 5.60 -0.00 -0.37 -1.74 115.15 118.37 3fye h HIS 102 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3fye h HIS 102 Cb 0.01 0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.70 3fye h HIS 102 CO -0.05 -0.30 -0.04 0.78 -0.00 0.00 0.00 177.93 178.31 3fye h GLY 103 N -0.30 -0.13 0.97 5.26 0.00 -1.00 -2.03 103.07 105.85 3fye h GLY 103 Ca 0.09 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 3fye h GLY 103 CO -0.27 -0.05 -0.09 -2.22 0.00 0.00 0.00 176.54 173.91 3fye h ILE 104 N -0.15 0.83 -0.50 2.60 2.04 -1.19 -0.52 117.51 120.62 3fye h ILE 104 Ca -0.01 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 65.88 3fye h ILE 104 Cb 0.12 0.87 -0.10 0.00 -0.74 0.00 0.00 36.82 36.97 3fye h ILE 104 CO 0.02 0.02 -0.17 -0.07 0.00 0.00 0.00 178.15 177.95 3fye h LEU 105 N -0.28 -0.60 -0.24 1.44 3.38 -1.34 -0.95 115.31 116.72 3fye h LEU 105 Ca -0.03 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3fye h LEU 105 Cb 0.22 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3fye h LEU 105 CO 0.04 -0.21 0.11 0.24 0.09 0.00 0.00 178.44 178.71 3fye h MET 106 N -0.05 0.35 0.00 1.13 2.86 -1.12 0.25 114.93 118.35 3fye h MET 106 Ca 0.24 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 3fye h MET 106 Cb 0.42 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3fye h MET 106 CO -0.54 0.37 -0.58 0.52 1.06 0.00 0.00 176.91 177.73 3fye h MET 107 N 0.25 0.00 0.00 1.72 2.86 -0.88 -3.07 114.93 115.81 3fye h MET 107 Ca 0.08 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 3fye h MET 107 Cb 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3fye h MET 107 CO -0.01 0.58 -1.47 1.19 1.06 0.00 0.00 176.91 178.27 3fye n PHE 108 N -3.30 0.00 -0.17 -0.22 3.72 -0.38 -4.77 117.46 112.34 3fye n PHE 108 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3fye n PHE 108 Cb 0.74 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 3fye n PHE 108 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3fye n PHE 109 N -2.33 0.00 0.00 1.38 3.72 0.72 -4.69 117.46 116.26 3fye n PHE 109 Ca -0.12 -0.32 0.00 0.00 -0.05 0.00 0.00 57.45 56.96 3fye n PHE 109 Cb 0.71 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.22 3fye n PHE 109 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3fye n VAL 110 N -0.32 0.00 0.09 -4.37 0.31 -0.31 -4.64 118.33 109.09 3fye n VAL 110 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3fye n VAL 110 Cb 0.24 -0.62 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 3fye n VAL 110 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 3fye h VAL 111 N 0.00 1.46 -0.04 2.52 -1.51 -1.81 -1.71 116.25 115.17 3fye h VAL 111 Ca 0.00 -2.75 -0.09 0.00 -1.23 0.00 0.00 66.70 62.64 3fye h VAL 111 Cb 0.00 2.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 3fye h VAL 111 CO 0.00 0.81 -0.31 0.40 -1.23 0.00 0.00 177.57 177.24 3fye h ILE 112 N 0.14 1.46 -0.95 7.19 2.04 -1.86 -0.22 117.51 125.31 3fye h ILE 112 Ca -0.09 -1.80 0.14 0.00 1.00 0.00 0.00 64.86 64.11 3fye h ILE 112 Cb 1.73 2.47 -0.08 0.00 -0.74 0.00 0.00 36.82 40.20 3fye h ILE 112 CO 0.17 0.51 0.60 -0.65 0.00 0.00 0.00 178.15 178.79 3fye h PRO 113 N -0.27 0.79 0.05 2.37 0.11 -1.83 0.25 132.00 133.46 3fye h PRO 113 Ca -0.03 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3fye h PRO 113 Cb 0.99 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3fye h PRO 113 CO 0.06 0.52 -0.02 0.00 -0.21 0.00 0.00 178.00 178.35 3fye h ALA 114 N 1.58 -0.07 0.06 -0.75 0.00 -1.13 0.20 119.26 119.15 3fye h ALA 114 Ca 0.49 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3fye h ALA 114 Cb 0.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3fye h ALA 114 CO -0.25 -0.32 -0.03 -0.07 0.00 0.00 0.00 179.25 178.58 3fye h LEU 115 N -0.49 -0.07 0.00 0.00 3.38 -0.84 -1.90 115.31 115.39 3fye h LEU 115 Ca -0.01 -0.58 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 3fye h LEU 115 Cb 0.44 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3fye h LEU 115 CO 0.01 0.63 -0.35 0.15 0.09 0.00 0.00 178.44 178.97 3fye h PHE 116 N -0.85 0.00 -0.19 1.13 3.57 -0.70 -0.29 116.94 119.60 3fye h PHE 116 Ca -0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3fye h PHE 116 Cb 0.64 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 3fye h PHE 116 CO 0.15 0.63 -0.24 0.78 -2.23 0.00 0.00 178.31 177.40 3fye h GLY 117 N -1.00 0.38 0.00 2.40 0.00 -1.00 -2.63 103.07 101.21 3fye h GLY 117 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3fye h GLY 117 CO -0.04 0.27 0.00 0.61 0.00 0.00 0.00 176.54 177.37 3fye n GLY 118 N -0.50 0.79 0.29 4.60 0.00 0.65 -3.66 105.19 107.36 3fye n GLY 118 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3fye n GLY 118 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3fye h PHE 119 N 0.00 0.77 0.32 1.61 0.04 -1.26 -1.45 116.94 116.97 3fye h PHE 119 Ca 0.00 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 3fye h PHE 119 Cb 0.00 -0.23 -0.02 0.00 2.20 0.00 0.00 35.95 37.90 3fye h PHE 119 CO 0.00 0.67 -0.32 0.78 -0.60 0.00 0.00 178.31 178.85 3fye h GLY 120 N 0.93 -0.73 1.00 -1.45 0.00 -0.69 0.11 103.07 102.24 3fye h GLY 120 Ca 0.16 0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 3fye h GLY 120 CO 0.00 -0.27 0.25 3.43 0.00 0.00 0.00 176.54 179.95 3fye h ASN 121 N -0.66 0.82 0.24 0.19 2.35 -1.39 -1.93 115.58 115.20 3fye h ASN 121 Ca -0.02 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 3fye h ASN 121 Cb 0.60 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3fye h ASN 121 CO -0.06 0.76 -0.12 0.22 -1.65 0.00 0.00 177.43 176.59 3fye h TYR 122 N 0.83 -0.30 0.00 1.19 5.03 -1.22 -3.40 116.97 119.10 3fye h TYR 122 Ca 0.20 -0.01 -0.36 0.00 2.58 0.00 0.00 58.73 61.14 3fye h TYR 122 Cb 0.19 0.10 -0.07 0.00 1.55 0.00 0.00 36.73 38.50 3fye h TYR 122 CO 0.01 -0.05 -2.33 1.19 -1.32 0.00 0.00 178.16 175.66 3fye n PHE 123 N -5.15 0.11 -0.20 -3.82 3.72 0.38 -4.23 117.46 108.27 3fye n PHE 123 Ca -0.09 0.04 -0.02 0.00 -0.05 0.00 0.00 57.45 57.32 3fye n PHE 123 Cb 0.21 -1.02 0.08 0.00 -0.94 0.00 0.00 39.48 37.81 3fye n PHE 123 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 3fye h MET 124 N 0.00 0.55 -0.53 -1.08 4.05 -1.44 0.18 114.93 116.66 3fye h MET 124 Ca -0.53 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 58.80 3fye h MET 124 Cb 2.19 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.84 3fye h MET 124 CO 0.02 0.37 0.07 -1.35 0.23 0.00 0.00 176.91 176.25 3fye h PRO 125 N 0.57 0.85 -0.55 0.39 0.11 -1.78 -2.47 132.00 129.12 3fye h PRO 125 Ca 0.27 -0.21 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3fye h PRO 125 Cb 0.19 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 3fye h PRO 125 CO -0.19 0.81 0.31 -0.07 -0.21 0.00 0.00 178.00 178.65 3fye h LEU 126 N 0.81 0.69 -1.46 2.35 3.38 -1.53 0.33 115.31 119.88 3fye h LEU 126 Ca 0.17 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3fye h LEU 126 Cb 0.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3fye h LEU 126 CO 0.01 0.58 -0.27 0.45 0.09 0.00 0.00 178.44 179.30 3fye h HIS 127 N 0.74 0.00 -0.02 1.13 3.86 -0.41 -2.84 115.15 117.60 3fye h HIS 127 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3fye h HIS 127 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3fye h HIS 127 CO -0.02 0.27 -0.14 0.44 0.86 0.00 0.00 177.93 179.34 3fye n ILE 128 N -4.22 0.00 -1.86 2.45 -5.35 -0.95 -4.56 119.36 104.86 3fye n ILE 128 Ca -0.02 -0.43 -0.03 0.00 -0.27 0.00 0.00 62.75 62.00 3fye n ILE 128 Cb 0.32 1.38 -0.00 0.00 -1.74 0.00 0.00 39.64 39.60 3fye n ILE 128 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fye n GLY 129 N 1.26 0.32 3.80 3.28 0.00 -0.60 -1.39 105.19 111.86 3fye n GLY 129 Ca 0.11 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 3fye n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fye s ALA 130 N -2.13 3.65 0.22 4.61 0.00 0.11 -3.93 121.76 124.28 3fye s ALA 130 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 3fye s ALA 130 Cb 0.00 -2.42 0.20 0.00 0.00 0.00 0.00 23.12 20.90 3fye s ALA 130 CO 0.00 0.34 1.65 -1.35 0.00 0.00 0.00 175.76 176.40 3fye h PRO 131 N 5.36 0.80 -3.02 0.00 0.11 -1.83 -3.37 132.00 130.05 3fye h PRO 131 Ca -0.48 -0.30 -0.03 0.00 0.11 0.00 0.00 66.00 65.30 3fye h PRO 131 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3fye h PRO 131 CO 0.66 0.92 0.27 0.34 -0.21 0.00 0.00 178.00 179.97 3fye s ASP 132 N -6.72 0.03 0.51 -2.05 -1.08 -1.26 -4.50 116.67 101.59 3fye s ASP 132 Ca -0.10 -1.17 -0.19 0.00 -0.52 0.00 0.00 52.55 50.58 3fye s ASP 132 Cb 0.13 0.85 -0.07 0.00 -1.46 0.00 0.00 42.92 42.37 3fye s ASP 132 CO 0.83 -1.69 1.03 -0.04 0.52 0.00 0.00 175.17 175.82 3fye s MET 133 N -2.28 3.75 0.34 4.34 -1.94 -1.26 -4.96 119.30 117.28 3fye s MET 133 Ca 0.16 1.25 0.12 0.00 -1.71 0.00 0.00 55.69 55.51 3fye s MET 133 Cb -0.05 -2.09 0.97 0.00 2.01 0.00 0.00 34.83 35.67 3fye s MET 133 CO 0.12 -0.46 1.72 0.00 -0.01 0.00 0.00 175.02 176.39 3fye h ALA 134 N 1.25 1.92 -2.69 3.03 0.00 -1.92 -3.29 119.26 117.55 3fye h ALA 134 Ca -0.48 0.12 -0.60 0.00 0.00 0.00 0.00 54.91 53.95 3fye h ALA 134 Cb 1.21 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.65 3fye h ALA 134 CO 0.59 -0.41 -0.81 -0.06 0.00 0.00 0.00 179.25 178.56 3fye s PHE 135 N -5.69 2.00 0.39 0.00 0.08 -1.26 -5.00 117.98 108.50 3fye s PHE 135 Ca -0.10 -2.64 0.07 0.00 0.12 0.00 0.00 56.93 54.38 3fye s PHE 135 Cb 0.27 -1.63 0.80 0.00 -0.57 0.00 0.00 43.02 41.89 3fye s PHE 135 CO 0.80 -0.73 2.00 -1.35 -0.10 0.00 0.00 175.22 175.84 3fye h PRO 136 N 5.77 0.50 -0.23 0.24 0.11 -1.84 -1.72 132.00 134.83 3fye h PRO 136 Ca 0.18 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.11 3fye h PRO 136 Cb 0.86 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 3fye h PRO 136 CO 0.49 0.40 -0.38 0.07 -0.21 0.00 0.00 178.00 178.38 3fye h ARG 137 N 0.50 0.52 -0.56 1.05 -0.00 -1.95 -1.73 114.38 112.21 3fye h ARG 137 Ca 0.13 -0.25 -0.10 0.00 -0.00 0.00 0.00 59.98 59.75 3fye h ARG 137 Cb 0.08 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.02 3fye h ARG 137 CO -0.02 0.82 -0.06 1.98 -0.00 0.00 0.00 179.97 182.69 3fye h MET 138 N 0.43 1.02 -0.27 0.08 4.05 -1.86 -1.93 114.93 116.44 3fye h MET 138 Ca 0.04 -0.35 0.01 0.00 -0.28 0.00 0.00 59.70 59.13 3fye h MET 138 Cb 0.85 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.55 3fye h MET 138 CO 0.07 1.03 0.16 -0.97 0.23 0.00 0.00 176.91 177.43 3fye h ASN 139 N 0.92 0.27 -0.94 1.39 -1.24 -1.06 0.31 115.58 115.22 3fye h ASN 139 Ca 0.15 0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.22 3fye h ASN 139 Cb 0.61 -0.06 -0.06 0.00 0.73 0.00 0.00 38.32 39.54 3fye h ASN 139 CO 0.04 0.20 0.62 -1.13 -1.29 0.00 0.00 177.43 175.86 3fye h ASN 140 N 0.34 0.98 -0.62 1.15 -1.24 -1.19 -2.26 115.58 112.74 3fye h ASN 140 Ca 0.11 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.02 3fye h ASN 140 Cb -0.01 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 3fye h ASN 140 CO -0.05 0.65 0.01 0.25 -1.29 0.00 0.00 177.43 177.00 3fye h LEU 141 N 1.13 1.06 -0.92 0.34 5.85 -0.69 -2.76 115.31 119.32 3fye h LEU 141 Ca 0.39 -0.30 0.10 0.00 0.84 0.00 0.00 57.88 58.91 3fye h LEU 141 Cb 0.12 -0.29 -0.08 0.00 0.37 0.00 0.00 40.66 40.79 3fye h LEU 141 CO -0.14 1.11 0.56 0.77 -0.34 0.00 0.00 178.44 180.40 3fye h SER 142 N 0.99 0.83 -0.24 1.25 4.64 -0.38 -1.13 113.55 119.52 3fye h SER 142 Ca 0.18 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 3fye h SER 142 Cb 0.56 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3fye h SER 142 CO 0.03 0.47 0.12 0.22 -0.87 0.00 0.00 176.83 176.80 3fye h TYR 143 N 0.93 0.34 -0.04 4.77 3.20 -1.21 -2.11 116.97 122.85 3fye h TYR 143 Ca 0.44 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.22 3fye h TYR 143 Cb 0.37 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3fye h TYR 143 CO -0.03 0.32 -0.31 -1.49 -1.64 0.00 0.00 178.16 175.01 3fye h TRP 144 N 0.26 0.09 -0.54 -3.82 4.06 -1.16 -1.28 115.95 113.55 3fye h TRP 144 Ca 0.08 -0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.91 3fye h TRP 144 Cb 0.10 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.22 3fye h TRP 144 CO -0.03 0.38 -0.09 -0.07 -3.56 0.00 0.00 178.44 175.08 3fye h LEU 145 N 0.07 1.01 -0.17 -4.49 3.38 -1.06 -0.71 115.31 113.34 3fye h LEU 145 Ca 0.01 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.69 3fye h LEU 145 Cb 0.59 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3fye h LEU 145 CO 0.04 1.11 -0.04 0.22 0.09 0.00 0.00 178.44 179.86 3fye h TYR 146 N 0.90 -0.08 -0.82 1.13 3.20 -0.90 0.78 116.97 121.18 3fye h TYR 146 Ca 0.14 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 3fye h TYR 146 Cb 0.65 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 3fye h TYR 146 CO 0.04 -0.06 0.39 0.28 -1.64 0.00 0.00 178.16 177.17 3fye h VAL 147 N 0.01 1.25 -0.38 1.81 2.07 -1.09 -0.27 116.25 119.66 3fye h VAL 147 Ca 0.08 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 3fye h VAL 147 Cb 0.12 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 3fye h VAL 147 CO -0.17 0.30 -0.02 0.00 0.02 0.00 0.00 177.57 177.70 3fye h ALA 148 N 1.21 0.51 -0.53 1.67 0.00 -0.90 -1.20 119.26 120.02 3fye h ALA 148 Ca 0.28 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3fye h ALA 148 Cb 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3fye h ALA 148 CO -0.04 0.31 0.27 0.78 0.00 0.00 0.00 179.25 180.58 3fye h GLY 149 N 0.50 0.75 1.01 0.00 0.00 -0.60 -1.45 103.07 103.28 3fye h GLY 149 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 3fye h GLY 149 CO 0.02 0.12 0.37 -0.84 0.00 0.00 0.00 176.54 176.22 3fye h THR 150 N 0.53 1.23 -0.65 4.70 2.02 -0.92 -1.05 112.91 118.78 3fye h THR 150 Ca 0.23 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 3fye h THR 150 Cb 0.14 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 3fye h THR 150 CO -0.16 0.27 0.23 0.28 0.37 0.00 0.00 175.52 176.52 3fye h SER 151 N 1.03 0.92 -0.32 4.18 0.02 -0.84 -0.94 113.55 117.59 3fye h SER 151 Ca 0.26 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3fye h SER 151 Cb 0.09 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3fye h SER 151 CO -0.04 0.86 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.22 3fye h LEU 152 N 0.92 0.76 -0.29 5.07 3.38 -1.00 0.06 115.31 124.21 3fye h LEU 152 Ca 0.21 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.78 3fye h LEU 152 Cb 0.25 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3fye h LEU 152 CO -0.01 1.03 0.07 0.00 0.09 0.00 0.00 178.44 179.62 3fye h ALA 153 N 0.75 0.32 -0.35 1.53 0.00 -1.04 0.18 119.26 120.64 3fye h ALA 153 Ca 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3fye h ALA 153 Cb 0.78 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3fye h ALA 153 CO 0.06 -0.33 0.05 0.28 0.00 0.00 0.00 179.25 179.31 3fye h VAL 154 N 0.19 1.24 -0.91 0.00 2.07 -1.14 -2.88 116.25 114.82 3fye h VAL 154 Ca 0.13 -0.84 0.13 0.00 0.82 0.00 0.00 66.70 66.95 3fye h VAL 154 Cb 0.13 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 3fye h VAL 154 CO -0.16 0.28 0.52 0.00 0.02 0.00 0.00 177.57 178.23 3fye h ALA 155 N 0.90 1.38 -0.39 1.67 0.00 -0.70 -1.98 119.26 120.14 3fye h ALA 155 Ca 0.11 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.19 3fye h ALA 155 Cb 0.36 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fye h ALA 155 CO 0.01 0.04 0.31 0.66 0.00 0.00 0.00 179.25 180.26 3fye h SER 156 N 0.78 0.00 0.70 0.00 4.64 -0.74 0.65 113.55 119.58 3fye h SER 156 Ca 0.47 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.77 3fye h SER 156 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3fye h SER 156 CO -0.31 0.00 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.47 3fye h LEU 157 N 0.00 0.00 -2.69 5.97 3.38 -1.38 -2.91 115.31 117.68 3fye h LEU 157 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3fye h LEU 157 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3fye h LEU 157 CO -0.00 0.11 0.00 0.49 0.09 0.00 0.00 178.44 179.13 3fye n PHE 158 N -3.35 0.30 -3.65 1.13 3.72 0.17 -3.60 117.46 112.18 3fye n PHE 158 Ca -0.01 -0.43 -0.32 0.00 -0.05 0.00 0.00 57.45 56.65 3fye n PHE 158 Cb 0.30 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.77 3fye n PHE 158 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fye s ALA 159 N -0.96 3.78 -0.08 4.37 0.00 -0.87 -4.87 121.76 123.13 3fye s ALA 159 Ca 0.16 -0.53 -0.37 0.00 0.00 0.00 0.00 51.96 51.22 3fye s ALA 159 Cb 0.09 -2.15 -0.15 0.00 0.00 0.00 0.00 23.12 20.90 3fye s ALA 159 CO 0.12 0.65 1.60 -2.30 0.00 0.00 0.00 175.76 175.83 3fye n PRO 160 N 0.16 1.39 0.00 0.00 -0.02 -1.26 -0.82 135.00 134.44 3fye n PRO 160 Ca -0.03 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3fye n PRO 160 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3fye n PRO 160 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fye n GLY 161 N 3.55 5.45 3.72 -1.23 0.00 0.13 -1.46 105.19 115.34 3fye n GLY 161 Ca 0.22 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 3fye n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fye s GLY 162 N 0.00 2.47 -1.81 -0.02 0.00 -1.12 -3.69 107.32 103.15 3fye s GLY 162 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.69 3fye s GLY 162 CO 0.00 1.38 0.00 0.70 0.00 0.00 0.00 173.10 175.18 3fye n ASN 163 N -2.53 -5.65 -1.80 1.64 3.02 -1.26 -1.63 115.26 107.05 3fye n ASN 163 Ca 0.14 0.11 -0.17 0.00 -0.03 0.00 0.00 54.58 54.62 3fye n ASN 163 Cb 0.50 -4.77 -0.02 0.00 -0.61 0.00 0.00 39.78 34.88 3fye n ASN 163 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fye n GLY 164 N -0.87 0.17 0.76 7.41 0.00 -1.24 -5.00 105.19 106.42 3fye n GLY 164 Ca -0.23 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 3fye n GLY 164 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fye n GLN 165 N -2.61 1.52 -3.36 1.61 6.02 -0.65 -4.97 117.38 114.94 3fye n GLN 165 Ca -0.20 -0.78 -0.29 0.00 -0.01 0.00 0.00 57.00 55.73 3fye n GLN 165 Cb 0.63 0.26 -0.03 0.00 1.02 0.00 0.00 30.24 32.12 3fye n GLN 165 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fye s LEU 166 N 0.00 4.08 0.00 1.08 1.43 -1.26 0.17 118.68 124.17 3fye s LEU 166 Ca 0.01 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3fye s LEU 166 Cb 0.00 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3fye s LEU 166 CO 0.01 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3fye n GLY 167 N -0.80 -1.68 3.53 -3.19 0.00 -0.00 -4.64 105.19 98.41 3fye n GLY 167 Ca -0.01 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 3fye n GLY 167 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fye s SER 168 N -3.43 5.77 -1.14 1.61 0.01 -1.26 -2.81 113.70 112.44 3fye s SER 168 Ca 0.00 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.04 3fye s SER 168 Cb 0.00 -2.06 0.26 0.00 0.21 0.00 0.00 66.02 64.43 3fye s SER 168 CO 0.00 -0.09 1.69 0.61 0.41 0.00 0.00 173.24 175.86 3fye n GLY 169 N 5.03 5.19 0.00 3.44 0.00 -1.26 -4.20 105.19 113.38 3fye n GLY 169 Ca -0.14 -2.47 0.00 0.00 0.00 0.00 0.00 46.02 43.41 3fye n GLY 169 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fye n ILE 170 N 1.70 0.00 0.00 -0.61 -5.35 -1.26 -4.83 119.36 109.01 3fye n ILE 170 Ca 0.34 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 3fye n ILE 170 Cb 0.33 1.36 0.00 0.00 -1.74 0.00 0.00 39.64 39.58 3fye n ILE 170 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fye n GLY 171 N 0.15 -1.67 0.17 3.28 0.00 -1.26 -3.86 105.19 101.99 3fye n GLY 171 Ca 0.00 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.76 3fye n GLY 171 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3fye h TRP 172 N 0.00 0.00 -0.02 1.61 5.08 -1.86 -2.09 115.95 118.67 3fye h TRP 172 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3fye h TRP 172 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3fye h TRP 172 CO 0.00 0.00 -0.13 1.33 -1.28 0.00 0.00 178.44 178.36 3fye n VAL 173 N -2.40 0.00 -3.78 0.12 0.24 -1.26 -4.85 118.33 106.40 3fye n VAL 173 Ca 0.01 -0.40 -0.26 0.00 -2.04 0.00 0.00 64.34 61.64 3fye n VAL 173 Cb 0.18 1.32 0.04 0.00 -1.47 0.00 0.00 33.84 33.91 3fye n VAL 173 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3fye n LEU 174 N 0.83 -2.93 -4.70 1.34 4.77 -0.79 -4.90 117.00 110.63 3fye n LEU 174 Ca 0.13 -0.75 -0.44 0.00 -0.03 0.00 0.00 56.01 54.93 3fye n LEU 174 Cb 0.54 -2.69 -0.03 0.00 -2.33 0.00 0.00 43.42 38.90 3fye n LEU 174 CO 0.19 0.48 1.36 -1.22 -1.33 0.00 0.00 177.39 176.87 3fye n TYR 175 N -4.58 2.57 -2.34 -1.77 4.02 -1.26 -4.54 117.16 109.26 3fye n TYR 175 Ca -0.08 0.04 -0.27 0.00 -0.01 0.00 0.00 57.90 57.58 3fye n TYR 175 Cb 0.58 -2.66 0.03 0.00 -0.02 0.00 0.00 39.34 37.28 3fye n TYR 175 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3fye s PRO 176 N 1.69 3.01 0.00 -0.72 0.04 -1.26 -0.93 135.00 136.83 3fye s PRO 176 Ca 0.79 0.11 0.11 0.00 0.04 0.00 0.00 61.00 62.05 3fye s PRO 176 Cb -0.55 -2.25 0.50 0.00 0.04 0.00 0.00 34.50 32.24 3fye s PRO 176 CO 0.36 -0.68 1.34 -2.30 0.04 0.00 0.00 177.00 175.76 3fye n PRO 177 N -2.60 0.04 0.02 0.56 -0.02 -1.26 -4.83 135.00 126.90 3fye n PRO 177 Ca 0.04 0.28 -0.10 0.00 -2.02 0.00 0.00 63.50 61.70 3fye n PRO 177 Cb 0.57 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.51 3fye n PRO 177 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3fye h LEU 178 N 0.00 -0.24 -1.25 2.45 5.85 -1.90 0.64 115.31 120.86 3fye h LEU 178 Ca 0.00 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 3fye h LEU 178 Cb 0.17 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3fye h LEU 178 CO 0.00 -0.11 -0.05 0.77 -0.34 0.00 0.00 178.44 178.71 3fye h SER 179 N -0.10 0.43 1.62 1.25 4.64 -1.27 -1.86 113.55 118.26 3fye h SER 179 Ca 0.06 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3fye h SER 179 Cb 0.18 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3fye h SER 179 CO -0.14 0.53 -0.38 0.71 -0.87 0.00 0.00 176.83 176.68 3fye h THR 180 N 0.44 0.64 -0.01 2.95 1.35 -1.72 -3.24 112.91 113.31 3fye h THR 180 Ca 0.09 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 3fye h THR 180 Cb 0.36 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 3fye h THR 180 CO 0.02 0.36 -0.56 -1.54 -0.25 0.00 0.00 175.52 173.54 3fye n SER 181 N -3.19 1.59 -4.70 5.36 3.41 0.18 -4.67 113.62 111.60 3fye n SER 181 Ca 0.02 -1.25 -0.42 0.00 -0.26 0.00 0.00 58.87 56.96 3fye n SER 181 Cb 0.68 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 65.14 3fye n SER 181 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3fye s GLU 182 N -2.62 4.14 0.89 4.33 2.56 -0.72 -4.96 118.70 122.33 3fye s GLU 182 Ca 0.17 2.58 -0.12 0.00 0.00 0.00 0.00 54.97 57.60 3fye s GLU 182 Cb 0.18 -3.51 0.13 0.00 2.00 0.00 0.00 34.13 32.93 3fye s GLU 182 CO 0.64 -0.82 1.12 -1.54 -0.56 0.00 0.00 175.26 174.10 3fye s SER 183 N 2.44 3.64 0.18 -1.70 1.04 -1.26 -4.83 113.70 113.20 3fye s SER 183 Ca 0.79 1.08 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3fye s SER 183 Cb -0.46 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 63.96 3fye s SER 183 CO 0.35 -2.48 0.00 0.61 0.98 0.00 0.00 173.24 172.70 3fye n GLY 184 N -2.05 -1.77 0.22 7.32 0.00 -1.26 -3.13 105.19 104.53 3fye n GLY 184 Ca 0.06 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.78 3fye n GLY 184 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3fye n TYR 185 N -0.30 0.09 -0.28 1.61 4.11 -0.70 -4.65 117.16 117.04 3fye n TYR 185 Ca 0.00 -0.22 0.06 0.00 -0.00 0.00 0.00 57.90 57.74 3fye n TYR 185 Cb 0.00 -0.02 0.16 0.00 -0.00 0.00 0.00 39.34 39.49 3fye n TYR 185 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3fye h SER 186 N 0.88 -0.48 -0.07 9.48 0.87 -1.49 -0.95 113.55 121.79 3fye h SER 186 Ca 0.00 0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.72 3fye h SER 186 Cb 0.37 0.41 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3fye h SER 186 CO 0.00 -0.23 -0.13 0.74 -0.53 0.00 0.00 176.83 176.68 3fye h THR 187 N 0.06 1.21 -0.43 2.23 2.02 -1.85 -1.40 112.91 114.76 3fye h THR 187 Ca 0.44 -0.95 -0.13 0.00 0.77 0.00 0.00 66.41 66.54 3fye h THR 187 Cb 0.77 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3fye h THR 187 CO -0.75 0.30 -0.23 0.44 0.37 0.00 0.00 175.52 175.65 3fye h ASP 188 N 0.37 0.94 -0.63 4.18 5.19 -1.52 -1.00 116.42 123.95 3fye h ASP 188 Ca 0.07 -0.41 0.04 0.00 -0.62 0.00 0.00 57.03 56.11 3fye h ASP 188 Cb 0.46 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 3fye h ASP 188 CO 0.03 1.15 0.37 -0.07 -3.12 0.00 0.00 179.24 177.59 3fye h LEU 189 N 0.74 0.57 -0.59 1.55 3.38 -1.04 -0.11 115.31 119.79 3fye h LEU 189 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fye h LEU 189 Cb 0.80 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3fye h LEU 189 CO 0.07 0.38 0.38 0.00 0.09 0.00 0.00 178.44 179.36 3fye h ALA 190 N 1.31 0.75 -0.59 1.53 0.00 -1.04 0.42 119.26 121.63 3fye h ALA 190 Ca 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3fye h ALA 190 Cb 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3fye h ALA 190 CO -0.14 0.20 0.26 0.82 0.00 0.00 0.00 179.25 180.39 3fye h ILE 191 N 0.80 1.22 -0.55 0.00 2.04 -0.81 -1.43 117.51 118.78 3fye h ILE 191 Ca 0.22 -0.65 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3fye h ILE 191 Cb -0.07 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 3fye h ILE 191 CO -0.04 0.26 0.18 -0.26 0.00 0.00 0.00 178.15 178.28 3fye h PHE 192 N 0.82 0.82 -0.45 1.37 0.04 -0.58 -1.85 116.94 117.12 3fye h PHE 192 Ca 0.20 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3fye h PHE 192 Cb 0.16 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 3fye h PHE 192 CO 0.00 0.67 0.28 0.00 -0.60 0.00 0.00 178.31 178.66 3fye h ALA 193 N 1.40 0.57 -0.54 2.45 0.00 -0.35 -2.06 119.26 120.73 3fye h ALA 193 Ca 0.18 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3fye h ALA 193 Cb 0.22 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fye h ALA 193 CO -0.01 0.04 -0.03 0.28 0.00 0.00 0.00 179.25 179.53 3fye h VAL 194 N 0.60 1.26 -0.38 0.00 2.07 -0.99 -0.82 116.25 117.98 3fye h VAL 194 Ca 0.16 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.62 3fye h VAL 194 Cb -0.03 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3fye h VAL 194 CO -0.03 0.40 -0.03 0.45 0.02 0.00 0.00 177.57 178.38 3fye h HIS 195 N 0.86 -0.08 -0.54 1.57 -0.00 -1.14 0.03 115.15 115.85 3fye h HIS 195 Ca 0.15 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.51 3fye h HIS 195 Cb 0.55 0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 3fye h HIS 195 CO 0.03 -0.10 0.19 -0.07 -0.00 0.00 0.00 177.93 177.98 3fye h LEU 196 N 0.07 0.78 -0.20 2.43 3.38 -1.07 -1.08 115.31 119.62 3fye h LEU 196 Ca 0.19 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3fye h LEU 196 Cb 0.27 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3fye h LEU 196 CO -0.34 0.76 -0.05 -1.28 0.09 0.00 0.00 178.44 177.62 3fye h SER 197 N 0.75 -0.20 -0.97 -0.43 0.87 -0.99 -0.71 113.55 111.87 3fye h SER 197 Ca 0.18 0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 3fye h SER 197 Cb 0.25 0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.28 3fye h SER 197 CO -0.01 -0.07 0.63 1.23 -0.53 0.00 0.00 176.83 178.08 3fye h GLY 198 N -0.01 1.43 0.78 5.77 0.00 -0.72 -0.38 103.07 109.94 3fye h GLY 198 Ca 0.10 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3fye h GLY 198 CO -0.21 0.36 -0.09 0.00 0.00 0.00 0.00 176.54 176.60 3fye h ALA 199 N 1.46 0.24 -0.39 3.60 0.00 -0.90 0.11 119.26 123.39 3fye h ALA 199 Ca 0.40 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3fye h ALA 199 Cb 0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3fye h ALA 199 CO -0.15 0.06 -0.06 1.03 0.00 0.00 0.00 179.25 180.14 3fye h SER 200 N 0.05 -0.29 -0.59 0.00 0.87 -0.79 -0.81 113.55 111.98 3fye h SER 200 Ca 0.04 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3fye h SER 200 Cb 0.57 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.71 3fye h SER 200 CO 0.03 -0.10 0.18 0.28 -0.53 0.00 0.00 176.83 176.68 3fye h SER 201 N 0.04 0.90 -0.23 6.23 0.02 -0.90 -1.67 113.55 117.94 3fye h SER 201 Ca 0.19 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.83 3fye h SER 201 Cb 0.29 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3fye h SER 201 CO -0.37 0.86 -0.44 0.40 -1.14 0.00 0.00 176.83 176.14 3fye h ILE 202 N 0.93 1.31 -0.06 3.27 2.04 -0.61 -0.04 117.51 124.35 3fye h ILE 202 Ca 0.20 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.42 3fye h ILE 202 Cb 0.30 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3fye h ILE 202 CO -0.00 0.52 0.04 -0.07 0.00 0.00 0.00 178.15 178.64 3fye h LEU 203 N 0.42 0.07 -0.50 1.44 3.38 -1.08 -0.71 115.31 118.33 3fye h LEU 203 Ca 0.01 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.08 3fye h LEU 203 Cb 1.04 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.67 3fye h LEU 203 CO 0.10 0.05 -0.21 1.23 0.09 0.00 0.00 178.44 179.70 3fye h GLY 204 N 0.08 0.16 1.01 0.83 0.00 -1.25 -1.04 103.07 102.86 3fye h GLY 204 Ca 0.02 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3fye h GLY 204 CO -0.01 -0.21 0.58 0.00 0.00 0.00 0.00 176.54 176.90 3fye h ALA 205 N 1.26 1.16 0.26 3.60 0.00 -0.60 0.67 119.26 125.60 3fye h ALA 205 Ca 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3fye h ALA 205 Cb 0.46 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fye h ALA 205 CO -0.57 0.58 -0.12 0.82 0.00 0.00 0.00 179.25 179.96 3fye h ILE 206 N 1.24 0.78 -0.60 0.00 2.04 -0.51 -1.21 117.51 119.26 3fye h ILE 206 Ca 0.33 -0.23 0.12 0.00 1.00 0.00 0.00 64.86 66.08 3fye h ILE 206 Cb -0.10 0.92 -0.10 0.00 -0.74 0.00 0.00 36.82 36.79 3fye h ILE 206 CO -0.07 0.05 -0.04 0.78 0.00 0.00 0.00 178.15 178.87 3fye h ASN 207 N -0.46 -0.35 -0.51 1.72 2.35 -1.03 -1.44 115.58 115.86 3fye h ASN 207 Ca -0.04 0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3fye h ASN 207 Cb 0.35 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 3fye h ASN 207 CO 0.06 -0.14 0.19 0.24 -1.65 0.00 0.00 177.43 176.13 3fye h MET 208 N 0.08 0.77 -0.22 0.81 2.86 -0.58 -1.78 114.93 116.87 3fye h MET 208 Ca 0.30 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3fye h MET 208 Cb 0.48 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 3fye h MET 208 CO -0.54 0.69 -0.18 0.82 1.06 0.00 0.00 176.91 178.75 3fye h ILE 209 N 0.68 1.32 0.03 -1.22 2.04 -1.05 -1.64 117.51 117.68 3fye h ILE 209 Ca 0.17 -1.32 -0.00 0.00 1.00 0.00 0.00 64.86 64.70 3fye h ILE 209 Cb 0.22 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3fye h ILE 209 CO -0.01 0.41 -0.02 0.74 0.00 0.00 0.00 178.15 179.27 3fye h THR 210 N 0.19 1.10 -0.22 -0.27 2.02 -1.22 -1.49 112.91 113.03 3fye h THR 210 Ca 0.04 -0.44 0.04 0.00 0.77 0.00 0.00 66.41 66.83 3fye h THR 210 Cb 0.72 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 3fye h THR 210 CO 0.05 0.11 -0.06 0.74 0.37 0.00 0.00 175.52 176.73 3fye h THR 211 N -0.24 0.77 -0.59 3.16 2.02 -1.40 0.40 112.91 117.05 3fye h THR 211 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3fye h THR 211 Cb 0.22 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3fye h THR 211 CO 0.01 0.00 0.29 0.15 0.37 0.00 0.00 175.52 176.33 3fye h PHE 212 N -0.01 0.81 0.17 3.16 3.04 -1.12 0.77 116.94 123.76 3fye h PHE 212 Ca 0.11 -0.02 -0.27 0.00 3.98 0.00 0.00 57.97 61.76 3fye h PHE 212 Cb 0.17 -0.26 0.02 0.00 2.56 0.00 0.00 35.95 38.44 3fye h PHE 212 CO -0.23 0.59 -1.27 -0.07 -2.02 0.00 0.00 178.31 175.31 3fye h LEU 213 N 0.82 0.55 0.00 0.59 3.38 -1.04 -3.40 115.31 116.21 3fye h LEU 213 Ca 0.21 -0.91 -0.11 0.00 0.09 0.00 0.00 57.88 57.15 3fye h LEU 213 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3fye h LEU 213 CO -0.03 1.59 -1.97 0.59 0.09 0.00 0.00 178.44 178.71 3fye n ASN 214 N -3.90 0.15 -0.33 -0.43 3.02 0.11 -4.64 115.26 109.23 3fye n ASN 214 Ca -0.19 0.06 0.07 0.00 -0.03 0.00 0.00 54.58 54.49 3fye n ASN 214 Cb 0.94 1.46 0.15 0.00 -0.61 0.00 0.00 39.78 41.72 3fye n ASN 214 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3fye n MET 215 N -2.47 2.18 -1.88 3.52 2.81 0.25 -5.01 117.12 116.53 3fye n MET 215 Ca -0.12 -2.39 -0.40 0.00 -1.81 0.00 0.00 57.70 52.98 3fye n MET 215 Cb 0.74 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.79 3fye n MET 215 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3fye s ARG 216 N -2.33 3.85 0.63 0.03 0.52 -1.25 -3.98 118.95 116.42 3fye s ARG 216 Ca 0.28 2.36 -0.18 0.00 -0.52 0.00 0.00 55.73 57.67 3fye s ARG 216 Cb 0.23 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.94 3fye s ARG 216 CO 0.05 -0.67 1.27 0.00 0.02 0.00 0.00 175.30 175.98 3fye s ALA 217 N -1.20 2.42 0.23 2.13 0.00 -0.48 -4.89 121.76 119.96 3fye s ALA 217 Ca 0.58 1.17 -0.31 0.00 0.00 0.00 0.00 51.96 53.40 3fye s ALA 217 Cb -0.42 -3.53 -0.14 0.00 0.00 0.00 0.00 23.12 19.03 3fye s ALA 217 CO 0.55 -1.49 1.36 -2.30 0.00 0.00 0.00 175.76 173.89 3fye n PRO 218 N -1.82 1.89 0.00 0.00 -0.02 -1.26 -0.84 135.00 132.95 3fye n PRO 218 Ca 0.15 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3fye n PRO 218 Cb 0.48 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3fye n PRO 218 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fye n GLY 219 N 2.10 3.13 3.57 -1.23 0.00 -1.26 -4.96 105.19 106.54 3fye n GLY 219 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3fye n GLY 219 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fye s MET 220 N -0.34 2.95 0.60 1.61 0.00 -0.02 -4.96 119.30 119.15 3fye s MET 220 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 55.69 54.63 3fye s MET 220 Cb 0.00 -5.24 -0.03 0.00 0.00 0.00 0.00 34.83 29.55 3fye s MET 220 CO 0.00 -3.17 0.99 -0.08 0.00 0.00 0.00 175.02 172.76 3fye s THR 221 N 8.52 4.56 0.38 10.11 -1.32 -1.26 -4.76 115.64 131.87 3fye s THR 221 Ca 0.63 0.68 0.13 0.00 -1.21 0.00 0.00 61.69 61.92 3fye s THR 221 Cb -0.02 -3.81 0.35 0.00 -1.51 0.00 0.00 72.50 67.51 3fye s THR 221 CO 0.03 -1.01 1.84 -0.03 -2.21 0.00 0.00 174.62 173.23 3fye h MET 222 N -0.26 0.53 -0.01 7.08 4.05 -1.98 0.38 114.93 124.72 3fye h MET 222 Ca -0.45 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 3fye h MET 222 Cb 1.20 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.88 3fye h MET 222 CO 0.62 0.35 0.00 0.72 0.23 0.00 0.00 176.91 178.83 3fye n HIS 223 N -4.58 0.01 0.36 1.39 8.25 -1.26 -3.47 115.22 115.92 3fye n HIS 223 Ca 0.20 -0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.70 3fye n HIS 223 Cb 0.63 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.79 3fye n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fye n LYS 224 N -0.60 0.46 -2.42 -0.41 5.02 0.13 -5.01 118.16 115.33 3fye n LYS 224 Ca 0.22 -1.11 -0.42 0.00 -2.02 0.00 0.00 58.31 54.97 3fye n LYS 224 Cb 0.19 -1.18 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 3fye n LYS 224 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3fye s VAL 225 N -0.80 4.04 0.61 -0.18 1.01 -1.06 -4.87 120.40 119.16 3fye s VAL 225 Ca 0.11 1.46 -0.19 0.00 0.00 0.00 0.00 61.98 63.36 3fye s VAL 225 Cb 0.08 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3fye s VAL 225 CO 0.12 0.11 1.27 -2.65 0.00 0.00 0.00 175.10 173.95 3fye n PRO 226 N 3.94 1.26 -0.31 2.72 -0.02 -1.26 -4.81 135.00 136.52 3fye n PRO 226 Ca 0.09 0.48 0.12 0.00 -2.02 0.00 0.00 63.50 62.17 3fye n PRO 226 Cb 0.46 -2.49 0.35 0.00 -0.02 0.00 0.00 33.50 31.81 3fye n PRO 226 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fye h LEU 227 N 0.80 0.71 -0.57 2.45 3.38 -1.94 -1.69 115.31 118.45 3fye h LEU 227 Ca -0.51 0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.53 3fye h LEU 227 Cb 1.33 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 3fye h LEU 227 CO 0.54 0.32 0.37 0.15 0.09 0.00 0.00 178.44 179.91 3fye h PHE 228 N 0.73 0.70 -0.73 1.13 3.57 -1.92 -0.04 116.94 120.38 3fye h PHE 228 Ca 0.50 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.96 3fye h PHE 228 Cb 0.79 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.27 3fye h PHE 228 CO -0.00 0.43 0.25 0.00 -2.23 0.00 0.00 178.31 176.75 3fye h ALA 229 N 1.22 1.06 -0.72 2.41 0.00 -1.69 -1.58 119.26 119.96 3fye h ALA 229 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fye h ALA 229 Cb -0.06 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3fye h ALA 229 CO -0.06 0.64 0.46 -1.49 0.00 0.00 0.00 179.25 178.81 3fye h TRP 230 N 1.07 0.93 -0.65 0.00 4.06 -1.01 -1.88 115.95 118.47 3fye h TRP 230 Ca 0.24 0.01 -0.06 0.00 2.06 0.00 0.00 58.89 61.14 3fye h TRP 230 Cb 0.27 -0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.09 3fye h TRP 230 CO 0.02 0.60 0.18 0.66 -3.56 0.00 0.00 178.44 176.35 3fye h SER 231 N 0.98 0.96 -0.44 -3.49 4.64 -0.37 -0.05 113.55 115.79 3fye h SER 231 Ca 0.26 -0.22 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 3fye h SER 231 Cb -0.08 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.74 3fye h SER 231 CO -0.05 0.93 0.03 0.40 -0.87 0.00 0.00 176.83 177.27 3fye h ILE 232 N 0.94 1.24 0.21 0.95 1.08 -1.25 -1.51 117.51 119.18 3fye h ILE 232 Ca 0.21 -0.98 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 3fye h ILE 232 Cb 0.33 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 3fye h ILE 232 CO -0.00 0.35 -0.10 0.15 -0.69 0.00 0.00 178.15 177.86 3fye h PHE 233 N 0.78 -0.26 -0.56 1.37 3.57 -0.57 -0.46 116.94 120.81 3fye h PHE 233 Ca 0.16 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.72 3fye h PHE 233 Cb 0.42 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 3fye h PHE 233 CO 0.02 0.07 0.26 0.28 -2.23 0.00 0.00 178.31 176.71 3fye h VAL 234 N -0.63 0.88 -0.64 1.41 2.07 -1.04 -2.58 116.25 115.71 3fye h VAL 234 Ca -0.03 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3fye h VAL 234 Cb 0.45 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3fye h VAL 234 CO 0.05 0.09 0.37 0.74 0.02 0.00 0.00 177.57 178.84 3fye h THR 235 N 0.48 1.02 -0.99 2.57 2.02 -1.20 -1.82 112.91 114.99 3fye h THR 235 Ca 0.27 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.27 3fye h THR 235 Cb 0.24 0.24 -0.07 0.00 -1.74 0.00 0.00 68.15 66.83 3fye h THR 235 CO -0.22 0.13 0.64 0.00 0.37 0.00 0.00 175.52 176.44 3fye h ALA 236 N 1.31 1.42 -0.40 6.16 0.00 -0.69 -1.49 119.26 125.57 3fye h ALA 236 Ca 0.28 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 3fye h ALA 236 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3fye h ALA 236 CO -0.15 0.43 -0.27 -1.49 0.00 0.00 0.00 179.25 177.77 3fye h TRP 237 N 1.15 0.98 -0.80 0.00 4.06 -1.06 -2.66 115.95 117.63 3fye h TRP 237 Ca 0.43 -0.25 -0.04 0.00 2.06 0.00 0.00 58.89 61.09 3fye h TRP 237 Cb 0.17 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 3fye h TRP 237 CO -0.00 1.02 0.35 -0.07 -3.56 0.00 0.00 178.44 176.19 3fye h LEU 238 N 0.73 1.07 -0.58 -4.49 3.38 -0.83 -2.84 115.31 111.74 3fye h LEU 238 Ca 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3fye h LEU 238 Cb 0.82 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3fye h LEU 238 CO 0.07 0.93 0.36 0.40 0.09 0.00 0.00 178.44 180.28 3fye h ILE 239 N 1.14 1.17 -0.39 1.22 2.04 -1.15 0.16 117.51 121.70 3fye h ILE 239 Ca 0.27 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3fye h ILE 239 Cb 0.16 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3fye h ILE 239 CO -0.03 0.17 0.15 -0.07 0.00 0.00 0.00 178.15 178.37 3fye h LEU 240 N 0.78 0.50 0.13 1.44 3.38 -1.24 -0.97 115.31 119.34 3fye h LEU 240 Ca 0.21 -0.05 -0.29 0.00 0.09 0.00 0.00 57.88 57.84 3fye h LEU 240 Cb -0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3fye h LEU 240 CO -0.04 0.46 -1.47 0.25 0.09 0.00 0.00 178.44 177.73 3fye h LEU 241 N 0.55 0.44 -0.06 1.67 5.85 -1.40 -3.40 115.31 118.97 3fye h LEU 241 Ca 0.14 -0.88 -0.06 0.00 0.84 0.00 0.00 57.88 57.92 3fye h LEU 241 Cb 0.12 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3fye h LEU 241 CO -0.01 1.65 -0.21 0.00 -0.34 0.00 0.00 178.44 179.53 3fye h ALA 242 N -0.00 0.10 -0.51 1.25 0.00 -0.90 -3.31 119.26 115.89 3fye h ALA 242 Ca -0.31 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.12 3fye h ALA 242 Cb 1.83 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.59 3fye h ALA 242 CO 0.09 0.07 -0.01 -0.07 0.00 0.00 0.00 179.25 179.33 3fye h LEU 243 N -0.29 0.84 -1.20 0.00 -0.00 -1.38 -2.25 115.31 111.03 3fye h LEU 243 Ca -0.01 -0.22 -0.04 0.00 -0.00 0.00 0.00 57.88 57.61 3fye h LEU 243 Cb 0.85 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 3fye h LEU 243 CO 0.04 0.91 0.11 -0.65 -0.00 0.00 0.00 178.44 178.85 3fye h PRO 244 N 0.80 0.66 -0.33 1.13 0.11 -1.77 -0.77 132.00 131.83 3fye h PRO 244 Ca 0.15 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 3fye h PRO 244 Cb 0.50 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3fye h PRO 244 CO 0.02 0.60 0.19 0.28 -0.21 0.00 0.00 178.00 178.89 3fye h VAL 245 N 0.64 1.13 -0.93 3.15 2.07 -1.56 -1.88 116.25 118.88 3fye h VAL 245 Ca 0.15 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.37 3fye h VAL 245 Cb 0.24 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3fye h VAL 245 CO -0.00 0.13 0.61 0.25 0.02 0.00 0.00 177.57 178.58 3fye h LEU 246 N 0.42 1.02 -0.86 2.57 5.85 -1.23 -1.91 115.31 121.17 3fye h LEU 246 Ca 0.12 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3fye h LEU 246 Cb 0.05 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 3fye h LEU 246 CO -0.02 0.70 0.54 0.00 -0.34 0.00 0.00 178.44 179.32 3fye h ALA 247 N 1.45 1.16 0.84 1.25 0.00 -0.55 -1.67 119.26 121.74 3fye h ALA 247 Ca 0.37 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.22 3fye h ALA 247 Cb -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.54 3fye h ALA 247 CO -0.11 0.32 -0.40 0.78 0.00 0.00 0.00 179.25 179.84 3fye h GLY 248 N 1.01 -1.17 -0.42 0.00 0.00 -0.72 -2.06 103.07 99.71 3fye h GLY 248 Ca 0.36 0.43 0.14 0.00 0.00 0.00 0.00 47.33 48.26 3fye h GLY 248 CO -0.15 -0.43 -0.19 0.00 0.00 0.00 0.00 176.54 175.77 3fye h ALA 249 N -0.95 0.42 0.00 3.60 0.00 -1.10 -0.67 119.26 120.55 3fye h ALA 249 Ca -0.11 0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3fye h ALA 249 Cb 0.86 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3fye h ALA 249 CO 0.19 -0.44 -0.48 -0.84 0.00 0.00 0.00 179.25 177.68 3fye h ILE 250 N -0.02 0.87 -0.41 0.00 3.07 -1.35 -2.56 117.51 117.13 3fye h ILE 250 Ca 0.33 -2.08 -0.15 0.00 1.55 0.00 0.00 64.86 64.51 3fye h ILE 250 Cb 0.52 2.32 -0.01 0.00 -0.27 0.00 0.00 36.82 39.38 3fye h ILE 250 CO -0.72 0.47 -0.33 0.74 -1.05 0.00 0.00 178.15 177.26 3fye h THR 251 N 0.00 1.27 -0.45 0.16 2.02 -0.57 -0.47 112.91 114.87 3fye h THR 251 Ca -0.00 -1.49 -0.00 0.00 0.77 0.00 0.00 66.41 65.68 3fye h THR 251 Cb 1.28 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 3fye h THR 251 CO 0.06 0.50 0.26 0.24 0.37 0.00 0.00 175.52 176.96 3fye h MET 252 N 0.77 0.61 -0.44 6.66 2.86 -1.02 0.21 114.93 124.58 3fye h MET 252 Ca 0.08 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3fye h MET 252 Cb 0.91 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 3fye h MET 252 CO 0.08 0.44 -0.09 -0.07 1.06 0.00 0.00 176.91 178.33 3fye h LEU 253 N 0.62 0.84 -1.07 1.22 3.38 -1.21 -1.58 115.31 117.51 3fye h LEU 253 Ca 0.16 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3fye h LEU 253 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3fye h LEU 253 CO -0.03 1.00 -0.01 0.25 0.09 0.00 0.00 178.44 179.74 3fye h LEU 254 N 0.67 0.62 -0.01 1.67 5.85 0.26 -1.39 115.31 122.97 3fye h LEU 254 Ca 0.11 -0.14 -0.23 0.00 0.84 0.00 0.00 57.88 58.47 3fye h LEU 254 Cb 0.62 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3fye h LEU 254 CO 0.04 0.70 -1.07 0.71 -0.34 0.00 0.00 178.44 178.48 3fye h THR 255 N 0.62 1.59 -0.51 1.05 1.35 -0.57 -1.63 112.91 114.81 3fye h THR 255 Ca 0.13 -3.13 -0.05 0.00 -0.55 0.00 0.00 66.41 62.81 3fye h THR 255 Cb 0.40 2.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.60 3fye h THR 255 CO 0.02 0.90 0.12 0.44 -0.25 0.00 0.00 175.52 176.75 3fye h ASP 256 N 0.05 0.72 0.01 5.36 5.19 -1.13 0.30 116.42 126.92 3fye h ASP 256 Ca -0.06 -0.12 -0.26 0.00 -0.62 0.00 0.00 57.03 55.96 3fye h ASP 256 Cb 1.79 -0.19 0.02 0.00 0.18 0.00 0.00 39.33 41.14 3fye h ASP 256 CO 0.16 0.71 -1.03 0.03 -3.12 0.00 0.00 179.24 175.99 3fye h ARG 257 N 0.75 0.68 0.00 3.56 3.08 -1.17 -3.42 114.38 117.86 3fye h ARG 257 Ca 0.17 -0.74 0.00 0.00 0.07 0.00 0.00 59.98 59.47 3fye h ARG 257 Cb 0.28 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3fye h ARG 257 CO -0.00 1.32 -1.00 0.09 -1.07 0.00 0.00 179.97 179.31 3fye n ASN 258 N -3.88 5.00 -0.68 7.04 3.02 -0.62 -4.86 115.26 120.28 3fye n ASN 258 Ca -0.11 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3fye n ASN 258 Cb 0.88 0.97 0.12 0.00 -0.61 0.00 0.00 39.78 41.14 3fye n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3fye n PHE 259 N -1.53 0.00 -0.92 3.10 3.72 0.06 -5.01 117.46 116.88 3fye n PHE 259 Ca 0.00 -0.97 0.00 0.00 -0.05 0.00 0.00 57.45 56.43 3fye n PHE 259 Cb 0.03 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 3fye n PHE 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fye n GLY 260 N -0.68 0.42 3.81 1.37 0.00 -1.01 -4.91 105.19 104.20 3fye n GLY 260 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3fye n GLY 260 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fye s THR 261 N -2.09 3.31 -0.30 2.61 -4.23 -1.10 -5.00 115.64 108.84 3fye s THR 261 Ca 0.00 0.43 0.19 0.00 -1.18 0.00 0.00 61.69 61.12 3fye s THR 261 Cb 0.00 -3.18 0.48 0.00 1.34 0.00 0.00 72.50 71.14 3fye s THR 261 CO 0.00 -0.56 1.03 0.35 -0.54 0.00 0.00 174.62 174.91 3fye n THR 262 N -3.35 1.26 -0.24 3.99 -2.24 -1.26 -4.31 114.28 108.13 3fye n THR 262 Ca 0.07 -3.18 0.09 0.00 -2.27 0.00 0.00 64.05 58.77 3fye n THR 262 Cb 0.56 0.70 0.36 0.00 -2.10 0.00 0.00 70.33 69.85 3fye n THR 262 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3fye h PHE 263 N 2.79 0.80 -0.02 4.78 0.04 -1.93 -2.97 116.94 120.43 3fye h PHE 263 Ca -0.07 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.73 3fye h PHE 263 Cb 1.21 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.11 3fye h PHE 263 CO 0.54 0.36 0.00 1.19 -0.60 0.00 0.00 178.31 179.79 3fye n PHE 264 N -4.52 0.05 -3.94 -0.55 3.72 -1.26 -2.00 117.46 108.96 3fye n PHE 264 Ca 0.14 -0.78 -0.35 0.00 -0.05 0.00 0.00 57.45 56.42 3fye n PHE 264 Cb 0.36 -0.11 -0.14 0.00 -0.94 0.00 0.00 39.48 38.65 3fye n PHE 264 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3fye s GLN 265 N -2.06 2.82 0.51 -1.08 -1.52 -1.13 -3.64 119.66 113.56 3fye s GLN 265 Ca 0.19 -0.99 0.21 0.00 -1.95 0.00 0.00 55.36 52.82 3fye s GLN 265 Cb 0.17 -3.03 1.30 0.00 -0.22 0.00 0.00 33.01 31.22 3fye s GLN 265 CO 0.02 -0.42 2.02 -1.35 -0.25 0.00 0.00 175.29 175.32 3fye h PRO 266 N 8.03 0.08 0.00 2.91 0.11 -1.86 0.15 132.00 141.42 3fye h PRO 266 Ca -0.32 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3fye h PRO 266 Cb 1.11 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fye h PRO 266 CO 0.57 0.05 -0.06 0.66 -0.21 0.00 0.00 178.00 179.02 3fye h SER 267 N 0.08 0.00 -0.44 -2.05 4.64 -1.94 -1.60 113.55 112.24 3fye h SER 267 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 3fye h SER 267 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3fye h SER 267 CO -0.02 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3fye n GLY 268 N -1.24 3.17 1.72 -0.77 0.00 -0.55 -4.94 105.19 102.58 3fye n GLY 268 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.20 3fye n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fye n GLY 269 N 0.43 0.55 3.91 -0.02 0.00 -0.60 -4.91 105.19 104.56 3fye n GLY 269 Ca 0.21 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3fye n GLY 269 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fye s GLY 270 N -2.14 1.65 -0.15 -0.02 0.00 0.43 -4.91 107.32 102.18 3fye s GLY 270 Ca 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 3fye s GLY 270 CO 0.00 -0.30 0.06 -0.35 0.00 0.00 0.00 173.10 172.51 3fye s ASP 271 N -4.63 2.25 0.51 1.64 2.15 -0.85 -3.47 116.67 114.27 3fye s ASP 271 Ca 0.64 -0.51 0.19 0.00 0.43 0.00 0.00 52.55 53.30 3fye s ASP 271 Cb -0.09 -0.36 1.28 0.00 -0.30 0.00 0.00 42.92 43.45 3fye s ASP 271 CO 0.49 -0.30 2.07 -0.65 -0.17 0.00 0.00 175.17 176.60 3fye h PRO 272 N 8.36 0.06 0.00 4.34 0.11 -1.83 -1.70 132.00 141.34 3fye h PRO 272 Ca -0.15 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.92 3fye h PRO 272 Cb 1.13 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3fye h PRO 272 CO 0.28 0.04 -0.16 0.28 -0.21 0.00 0.00 178.00 178.23 3fye h VAL 273 N 0.06 0.56 -0.50 3.15 2.07 -1.92 -2.64 116.25 117.03 3fye h VAL 273 Ca 0.13 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3fye h VAL 273 Cb 0.44 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3fye h VAL 273 CO -0.01 0.16 0.32 0.25 0.02 0.00 0.00 177.57 178.31 3fye h LEU 274 N 0.00 0.59 -0.69 2.57 5.85 -1.67 -2.04 115.31 119.92 3fye h LEU 274 Ca -0.00 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.78 3fye h LEU 274 Cb 0.49 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 3fye h LEU 274 CO 0.02 0.45 0.32 0.22 -0.34 0.00 0.00 178.44 179.10 3fye h TYR 275 N 0.68 0.56 -0.76 1.25 3.20 -1.57 -2.47 116.97 117.86 3fye h TYR 275 Ca 0.18 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3fye h TYR 275 Cb -0.05 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 3fye h TYR 275 CO -0.03 0.18 0.50 1.96 -1.64 0.00 0.00 178.16 179.12 3fye h GLN 276 N 0.53 0.98 -0.46 1.82 4.20 -1.40 0.18 115.11 120.97 3fye h GLN 276 Ca 0.35 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3fye h GLN 276 Cb 0.40 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3fye h GLN 276 CO -0.29 0.65 0.27 0.45 -0.67 0.00 0.00 178.83 179.23 3fye h HIS 277 N 1.00 0.61 -0.23 2.96 3.86 -1.00 0.16 115.15 122.51 3fye h HIS 277 Ca 0.28 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.40 3fye h HIS 277 Cb -0.09 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 3fye h HIS 277 CO -0.02 0.44 -0.18 0.82 0.86 0.00 0.00 177.93 179.85 3fye h ILE 278 N 0.60 1.31 -0.02 2.45 2.04 -1.13 -1.77 117.51 121.00 3fye h ILE 278 Ca 0.16 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.71 3fye h ILE 278 Cb 0.02 1.65 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3fye h ILE 278 CO -0.03 0.41 0.01 0.25 0.00 0.00 0.00 178.15 178.79 3fye h LEU 279 N 0.24 0.03 -0.84 1.44 7.12 -0.54 -2.89 115.31 119.87 3fye h LEU 279 Ca 0.04 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.97 3fye h LEU 279 Cb 0.71 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.84 3fye h LEU 279 CO 0.05 0.11 0.00 -0.50 -0.13 0.00 0.00 178.44 177.97 3fye h TRP 280 N -0.06 0.00 -0.36 1.25 4.06 -1.01 0.27 115.95 120.11 3fye h TRP 280 Ca 0.01 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.88 3fye h TRP 280 Cb 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 3fye h TRP 280 CO -0.05 0.00 -0.10 0.35 -3.56 0.00 0.00 178.44 175.09 3fye h PHE 281 N 0.00 0.67 -0.06 0.49 3.04 -1.10 -0.91 116.94 119.07 3fye h PHE 281 Ca 0.00 -0.10 -0.24 0.00 3.98 0.00 0.00 57.97 61.60 3fye h PHE 281 Cb 0.54 -0.18 0.02 0.00 2.56 0.00 0.00 35.95 38.89 3fye h PHE 281 CO 0.00 0.70 -0.92 0.35 -2.02 0.00 0.00 178.31 176.42 3fye h PHE 282 N 0.57 1.03 -0.44 0.41 3.04 -1.33 -3.40 116.94 116.83 3fye h PHE 282 Ca 0.11 -0.52 -0.07 0.00 3.98 0.00 0.00 57.97 61.46 3fye h PHE 282 Cb 0.51 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.87 3fye h PHE 282 CO 0.02 1.36 -0.01 0.78 -2.02 0.00 0.00 178.31 178.43 3fye h GLY 283 N 0.41 0.85 0.84 2.40 0.00 0.28 -0.63 103.07 107.22 3fye h GLY 283 Ca -0.10 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.57 3fye h GLY 283 CO 0.18 0.58 -0.25 0.84 0.00 0.00 0.00 176.54 177.89 3fye h HIS 284 N 0.62 -0.65 -0.92 5.60 -0.00 -1.43 -3.18 115.15 115.18 3fye h HIS 284 Ca 0.12 -0.02 0.26 0.00 -0.00 0.00 0.00 60.37 60.74 3fye h HIS 284 Cb 0.51 0.22 -0.14 0.00 -0.00 0.00 0.00 27.41 28.00 3fye h HIS 284 CO 0.04 -0.34 0.36 -1.35 -0.00 0.00 0.00 177.93 176.64 3fye h PRO 285 N -0.87 0.27 -0.90 5.26 0.11 -1.58 -0.54 132.00 133.74 3fye h PRO 285 Ca -0.07 -0.02 0.24 0.00 0.11 0.00 0.00 66.00 66.26 3fye h PRO 285 Cb 0.60 -0.06 -0.16 0.00 0.11 0.00 0.00 31.00 31.50 3fye h PRO 285 CO 0.12 0.18 0.09 1.49 -0.21 0.00 0.00 178.00 179.66 3fye h GLU 286 N 0.28 0.09 -0.05 1.05 4.57 -1.10 0.29 114.58 119.71 3fye h GLU 286 Ca 0.61 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.68 3fye h GLU 286 Cb 1.27 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3fye h GLU 286 CO -0.62 0.06 -0.46 -0.39 -1.18 0.00 0.00 179.01 176.41 3fye h VAL 287 N 0.09 1.33 0.08 0.32 -1.51 -1.10 -1.65 116.25 113.81 3fye h VAL 287 Ca 0.54 -1.62 -0.26 0.00 -1.23 0.00 0.00 66.70 64.13 3fye h VAL 287 Cb 1.08 1.82 0.01 0.00 -2.13 0.00 0.00 31.29 32.07 3fye h VAL 287 CO -0.78 0.47 -1.13 1.88 -1.23 0.00 0.00 177.57 176.78 3fye h TYR 288 N 0.09 0.67 -0.98 5.19 0.05 -1.08 -2.09 116.97 118.82 3fye h TYR 288 Ca 0.00 -0.42 0.17 0.00 0.05 0.00 0.00 58.73 58.54 3fye h TYR 288 Cb 0.85 -0.05 -0.09 0.00 1.01 0.00 0.00 36.73 38.45 3fye h TYR 288 CO 0.01 1.28 0.61 0.82 -1.05 0.00 0.00 178.16 179.83 3fye h ILE 289 N 0.18 0.76 0.04 -2.88 2.04 -0.26 0.12 117.51 117.52 3fye h ILE 289 Ca -0.13 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.47 3fye h ILE 289 Cb 1.81 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 3fye h ILE 289 CO 0.20 0.14 -0.02 0.40 0.00 0.00 0.00 178.15 178.87 3fye h ILE 290 N 0.76 1.24 0.00 -0.67 2.04 -1.13 -3.37 117.51 116.37 3fye h ILE 290 Ca 0.54 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 3fye h ILE 290 Cb 0.84 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3fye h ILE 290 CO -0.31 0.23 -0.84 1.62 0.00 0.00 0.00 178.15 178.84 3fye h VAL 291 N -0.45 0.48 -0.22 1.67 3.04 -0.98 -3.39 116.25 116.41 3fye h VAL 291 Ca -0.01 -1.78 0.00 0.00 -1.01 0.00 0.00 66.70 63.91 3fye h VAL 291 Cb 0.41 2.08 -0.01 0.00 -2.01 0.00 0.00 31.29 31.76 3fye h VAL 291 CO 0.01 0.27 0.14 -0.07 -1.01 0.00 0.00 177.57 176.91 3fye h LEU 292 N 0.00 0.24 -1.66 3.16 3.38 -1.14 -1.71 115.31 117.58 3fye h LEU 292 Ca -0.06 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3fye h LEU 292 Cb 1.34 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 3fye h LEU 292 CO 0.04 0.17 0.36 -0.65 0.09 0.00 0.00 178.44 178.45 3fye h PRO 293 N 0.29 0.39 -0.87 1.13 0.11 -1.79 -1.07 132.00 130.18 3fye h PRO 293 Ca 0.08 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3fye h PRO 293 Cb -0.03 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 30.95 3fye h PRO 293 CO -0.02 0.25 0.45 0.00 -0.21 0.00 0.00 178.00 178.48 3fye h ALA 294 N 1.72 1.12 -0.31 -0.75 0.00 -1.59 -1.44 119.26 118.01 3fye h ALA 294 Ca 0.24 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3fye h ALA 294 Cb 0.44 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3fye h ALA 294 CO -0.06 0.66 0.08 0.74 0.00 0.00 0.00 179.25 180.66 3fye h PHE 295 N 1.23 0.14 0.01 0.00 0.04 -0.35 -0.50 116.94 117.52 3fye h PHE 295 Ca 0.30 0.02 0.03 0.00 2.80 0.00 0.00 57.97 61.12 3fye h PHE 295 Cb 0.07 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.15 3fye h PHE 295 CO 0.01 0.05 -0.28 0.78 -0.60 0.00 0.00 178.31 178.27 3fye h GLY 296 N 0.20 -0.46 0.63 -1.45 0.00 -0.98 -1.96 103.07 99.05 3fye h GLY 296 Ca 0.14 0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.87 3fye h GLY 296 CO -0.17 -0.22 0.19 -2.22 0.00 0.00 0.00 176.54 174.12 3fye h ILE 297 N -0.44 0.88 -0.74 2.60 2.04 -1.19 -2.49 117.51 118.18 3fye h ILE 297 Ca 0.06 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3fye h ILE 297 Cb 0.52 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 3fye h ILE 297 CO -0.23 0.07 0.42 0.58 0.00 0.00 0.00 178.15 178.99 3fye h VAL 298 N 0.38 0.96 -0.31 1.67 2.07 -0.85 -1.17 116.25 119.00 3fye h VAL 298 Ca 0.22 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3fye h VAL 298 Cb 0.19 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 3fye h VAL 298 CO -0.20 0.14 0.20 0.28 0.02 0.00 0.00 177.57 178.00 3fye h SER 299 N 0.76 0.37 -0.53 0.57 0.02 -0.96 -0.61 113.55 113.16 3fye h SER 299 Ca 0.34 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3fye h SER 299 Cb 0.24 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3fye h SER 299 CO -0.20 0.29 0.28 0.45 -1.14 0.00 0.00 176.83 176.51 3fye h HIS 300 N 0.41 0.74 -0.24 3.45 -0.00 -1.17 -2.22 115.15 116.12 3fye h HIS 300 Ca 0.11 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.39 3fye h HIS 300 Cb -0.01 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 3fye h HIS 300 CO -0.05 0.55 -0.11 0.28 -0.00 0.00 0.00 177.93 178.61 3fye h VAL 301 N 0.71 1.30 -0.36 2.45 2.07 -1.06 -2.06 116.25 119.30 3fye h VAL 301 Ca 0.19 -1.18 -0.14 0.00 0.82 0.00 0.00 66.70 66.40 3fye h VAL 301 Cb 0.06 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3fye h VAL 301 CO -0.03 0.37 -0.31 0.40 0.02 0.00 0.00 177.57 178.02 3fye h ILE 302 N 0.23 1.28 -0.79 4.57 2.04 -1.12 -1.62 117.51 122.10 3fye h ILE 302 Ca 0.06 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 64.49 3fye h ILE 302 Cb 0.61 1.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.06 3fye h ILE 302 CO 0.03 0.49 0.49 0.00 0.00 0.00 0.00 178.15 179.16 3fye h ALA 303 N 0.76 1.06 0.02 1.87 0.00 -1.42 -0.81 119.26 120.74 3fye h ALA 303 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fye h ALA 303 Cb 0.89 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3fye h ALA 303 CO 0.08 0.27 -0.01 1.15 0.00 0.00 0.00 179.25 180.74 3fye h THR 304 N 0.94 1.13 0.00 0.00 2.02 -1.09 -1.79 112.91 114.12 3fye h THR 304 Ca 0.33 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3fye h THR 304 Cb 0.08 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3fye h THR 304 CO -0.14 0.12 -0.75 0.49 0.37 0.00 0.00 175.52 175.61 3fye n PHE 305 N -5.01 0.36 0.82 3.16 3.72 -0.64 -2.17 117.46 117.71 3fye n PHE 305 Ca -0.08 0.11 0.13 0.00 -0.05 0.00 0.00 57.45 57.56 3fye n PHE 305 Cb 0.13 -0.51 0.36 0.00 -0.94 0.00 0.00 39.48 38.52 3fye n PHE 305 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fye n ALA 306 N -1.77 2.80 -3.65 4.37 0.00 -0.32 -0.56 120.51 121.37 3fye n ALA 306 Ca 0.03 -0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 3fye n ALA 306 Cb 0.42 -1.30 0.05 0.00 0.00 0.00 0.00 19.45 18.63 3fye n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fye n LYS 307 N -1.80 -6.00 -3.69 0.00 5.02 -0.86 -1.06 118.16 109.76 3fye n LYS 307 Ca 0.05 0.71 -0.13 0.00 -2.02 0.00 0.00 58.31 56.93 3fye n LYS 307 Cb 0.38 -5.54 -0.09 0.00 -0.02 0.00 0.00 35.03 29.76 3fye n LYS 307 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3fye s LYS 308 N -5.99 0.59 0.69 1.97 2.20 -0.73 -4.68 119.74 113.79 3fye s LYS 308 Ca 0.22 0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 56.44 3fye s LYS 308 Cb -0.11 0.26 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 3fye s LYS 308 CO 0.78 -0.08 1.15 -1.25 -0.36 0.00 0.00 175.35 175.59 3fye s PRO 309 N 0.46 2.50 0.22 4.03 0.04 -1.26 -4.40 135.00 136.59 3fye s PRO 309 Ca -0.01 1.55 -0.32 0.00 0.04 0.00 0.00 61.00 62.26 3fye s PRO 309 Cb -0.04 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.48 3fye s PRO 309 CO -0.02 -1.51 1.66 1.51 0.04 0.00 0.00 177.00 178.67 3fye n ILE 310 N -2.56 0.30 -2.15 0.56 0.13 -1.26 -4.87 119.36 109.51 3fye n ILE 310 Ca 0.12 -0.07 -0.42 0.00 -1.10 0.00 0.00 62.75 61.27 3fye n ILE 310 Cb 0.51 -1.88 -0.03 0.00 -0.84 0.00 0.00 39.64 37.40 3fye n ILE 310 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 3fye s PHE 311 N 0.78 2.95 -0.96 9.51 2.19 -1.26 -4.04 117.98 127.14 3fye s PHE 311 Ca 0.73 0.79 -0.06 0.00 0.33 0.00 0.00 56.93 58.72 3fye s PHE 311 Cb -0.54 -3.72 -0.04 0.00 -1.31 0.00 0.00 43.02 37.41 3fye s PHE 311 CO 0.38 -2.66 0.82 0.41 1.83 0.00 0.00 175.22 176.01 3fye n GLY 312 N 3.64 -1.17 0.20 13.12 0.00 -1.26 -4.81 105.19 114.91 3fye n GLY 312 Ca 0.13 0.54 -0.03 0.00 0.00 0.00 0.00 46.02 46.66 3fye n GLY 312 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3fye h TYR 313 N -0.71 -0.25 -0.20 1.61 5.03 -1.99 -1.11 116.97 119.35 3fye h TYR 313 Ca -0.44 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 60.83 3fye h TYR 313 Cb 1.23 0.19 -0.00 0.00 1.55 0.00 0.00 36.73 39.69 3fye h TYR 313 CO 0.27 -0.21 -0.20 -0.07 -1.32 0.00 0.00 178.16 176.63 3fye h LEU 314 N 0.01 0.52 -1.21 2.82 3.38 -1.96 -2.02 115.31 116.85 3fye h LEU 314 Ca 0.24 -0.48 0.14 0.00 0.09 0.00 0.00 57.88 57.88 3fye h LEU 314 Cb 0.37 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 3fye h LEU 314 CO -0.51 0.89 0.59 -0.65 0.09 0.00 0.00 178.44 178.85 3fye h PRO 315 N 0.15 0.74 -0.30 1.13 0.11 -1.92 0.19 132.00 132.11 3fye h PRO 315 Ca 0.03 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3fye h PRO 315 Cb 0.75 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3fye h PRO 315 CO 0.05 0.49 0.17 0.52 -0.21 0.00 0.00 178.00 179.02 3fye h MET 316 N 0.76 0.41 -0.23 1.05 2.86 -0.91 0.32 114.93 119.19 3fye h MET 316 Ca 0.47 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.07 3fye h MET 316 Cb 0.69 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 3fye h MET 316 CO -0.23 0.34 0.15 0.28 1.06 0.00 0.00 176.91 178.51 3fye h VAL 317 N 0.37 1.08 -0.51 -2.22 2.07 -0.91 -2.11 116.25 114.01 3fye h VAL 317 Ca 0.11 -0.17 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 3fye h VAL 317 Cb 0.04 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3fye h VAL 317 CO -0.02 0.08 -0.18 1.88 0.02 0.00 0.00 177.57 179.35 3fye h TYR 318 N 0.30 1.16 -0.40 1.57 0.05 -0.79 -1.27 116.97 117.60 3fye h TYR 318 Ca 0.09 -0.27 0.03 0.00 0.05 0.00 0.00 58.73 58.63 3fye h TYR 318 Cb -0.01 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.43 3fye h TYR 318 CO -0.05 1.10 0.20 0.00 -1.05 0.00 0.00 178.16 178.36 3fye h ALA 319 N 0.89 0.49 -0.66 3.88 0.00 -0.31 0.75 119.26 124.30 3fye h ALA 319 Ca 0.12 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3fye h ALA 319 Cb 0.76 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3fye h ALA 319 CO 0.06 -0.16 0.42 0.52 0.00 0.00 0.00 179.25 180.09 3fye h MET 320 N 0.40 0.82 -0.60 0.00 2.86 -1.10 0.55 114.93 117.86 3fye h MET 320 Ca 0.17 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3fye h MET 320 Cb 0.08 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 3fye h MET 320 CO -0.12 0.54 0.18 0.28 1.06 0.00 0.00 176.91 178.85 3fye h VAL 321 N 0.84 1.24 -0.03 -2.22 2.07 -0.82 -1.05 116.25 116.29 3fye h VAL 321 Ca 0.26 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3fye h VAL 321 Cb -0.03 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3fye h VAL 321 CO -0.08 0.32 -0.01 0.00 0.02 0.00 0.00 177.57 177.82 3fye h ALA 322 N 1.05 0.04 -0.36 1.67 0.00 -0.38 -1.14 119.26 120.14 3fye h ALA 322 Ca 0.19 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3fye h ALA 322 Cb 0.30 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3fye h ALA 322 CO -0.00 -0.27 -0.01 0.82 0.00 0.00 0.00 179.25 179.79 3fye h ILE 323 N -0.28 0.72 -0.47 0.00 2.04 -0.90 0.16 117.51 118.77 3fye h ILE 323 Ca 0.01 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.92 3fye h ILE 323 Cb 0.37 0.63 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 3fye h ILE 323 CO 0.00 0.02 0.10 1.23 0.00 0.00 0.00 178.15 179.50 3fye h GLY 324 N 0.08 0.58 0.59 5.37 0.00 -1.03 0.43 103.07 109.09 3fye h GLY 324 Ca 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3fye h GLY 324 CO -0.30 -0.05 -0.09 -2.08 0.00 0.00 0.00 176.54 174.01 3fye h VAL 325 N 0.24 0.90 0.00 4.60 2.07 -0.80 -3.20 116.25 120.06 3fye h VAL 325 Ca 0.24 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 3fye h VAL 325 Cb 0.30 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3fye h VAL 325 CO -0.30 0.17 -0.05 -0.07 0.02 0.00 0.00 177.57 177.33 3fye h LEU 326 N -0.67 0.00 0.00 2.57 3.38 -0.61 -2.31 115.31 117.66 3fye h LEU 326 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3fye h LEU 326 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3fye h LEU 326 CO 0.04 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.24 3fye n GLY 327 N -0.66 -0.53 0.92 0.83 0.00 0.13 -2.08 105.19 103.80 3fye n GLY 327 Ca -0.02 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.10 3fye n GLY 327 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3fye n PHE 328 N -1.36 0.00 -1.51 1.61 3.72 -0.87 -3.62 117.46 115.43 3fye n PHE 328 Ca 0.02 -0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.48 3fye n PHE 328 Cb 0.05 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.68 3fye n PHE 328 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 3fye n VAL 329 N 1.25 1.17 -0.25 -4.37 0.24 -0.88 -4.74 118.33 110.75 3fye n VAL 329 Ca 0.14 -1.52 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 3fye n VAL 329 Cb 0.58 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 3fye n VAL 329 CO 0.00 0.00 0.00 1.33 -2.14 0.00 0.00 176.83 176.02 3fye n VAL 330 N -0.82 0.03 -0.32 3.34 0.24 -1.25 -4.86 118.33 114.69 3fye n VAL 330 Ca 0.10 -0.39 0.21 0.00 -2.04 0.00 0.00 64.34 62.22 3fye n VAL 330 Cb 0.69 1.22 0.48 0.00 -1.47 0.00 0.00 33.84 34.77 3fye n VAL 330 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 3fye h TRP 331 N 0.00 0.70 0.00 6.34 0.09 -1.85 -2.24 115.95 119.00 3fye h TRP 331 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 58.89 59.00 3fye h TRP 331 Cb 0.15 -0.21 0.00 0.00 0.08 0.00 0.00 29.16 29.18 3fye h TRP 331 CO 0.00 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.62 3fye n ALA 332 N -2.46 2.35 0.20 0.11 0.00 -1.26 -1.96 120.51 117.49 3fye n ALA 332 Ca 0.24 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.59 3fye n ALA 332 Cb 0.81 -1.39 0.20 0.00 0.00 0.00 0.00 19.45 19.07 3fye n ALA 332 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3fye n HIS 333 N -1.08 0.15 1.10 0.00 1.44 -0.84 -0.85 115.22 115.15 3fye n HIS 333 Ca 0.16 0.07 0.07 0.00 -2.01 0.00 0.00 57.72 56.02 3fye n HIS 333 Cb 0.11 -0.61 0.24 0.00 0.12 0.00 0.00 29.99 29.84 3fye n HIS 333 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3fye n HIS 334 N -1.65 0.34 -1.86 -1.40 8.25 -0.83 -4.25 115.22 113.81 3fye n HIS 334 Ca 0.01 -0.17 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3fye n HIS 334 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3fye n HIS 334 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3fye n MET 335 N 0.35 0.00 0.25 -0.41 2.00 -0.03 -4.90 117.12 114.38 3fye n MET 335 Ca 0.13 -0.92 0.15 0.00 0.00 0.00 0.00 57.70 57.06 3fye n MET 335 Cb 0.28 -0.49 0.84 0.00 0.00 0.00 0.00 33.22 33.85 3fye n MET 335 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 3fye h TYR 336 N 0.00 0.00 -0.30 2.03 0.05 -1.73 -1.38 116.97 115.64 3fye h TYR 336 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3fye h TYR 336 Cb 1.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.08 3fye h TYR 336 CO 0.08 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.44 3fye n THR 337 N -3.95 0.62 0.90 -2.88 -2.24 -1.26 -4.57 114.28 100.90 3fye n THR 337 Ca -0.01 -0.81 0.14 0.00 -2.27 0.00 0.00 64.05 61.10 3fye n THR 337 Cb 0.18 0.81 0.56 0.00 -2.10 0.00 0.00 70.33 69.79 3fye n THR 337 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fye n ALA 338 N 0.88 2.31 0.00 6.98 0.00 -0.52 -4.86 120.51 125.30 3fye n ALA 338 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3fye n ALA 338 Cb 0.45 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3fye n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fye n GLY 339 N 1.44 1.71 3.79 0.00 0.00 -1.26 -5.02 105.19 105.86 3fye n GLY 339 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3fye n GLY 339 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fye s LEU 340 N 0.00 4.32 0.93 0.99 1.43 -1.26 -5.06 118.68 120.04 3fye s LEU 340 Ca 0.00 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.68 3fye s LEU 340 Cb 0.00 -3.89 0.15 0.00 0.03 0.00 0.00 46.19 42.48 3fye s LEU 340 CO 0.00 -0.05 1.10 -0.94 0.23 0.00 0.00 176.35 176.69 3fye s SER 341 N -1.65 2.96 0.36 2.29 1.04 -1.26 -4.79 113.70 112.65 3fye s SER 341 Ca 0.48 1.81 0.04 0.00 0.48 0.00 0.00 55.95 58.76 3fye s SER 341 Cb -0.18 -2.40 0.70 0.00 0.10 0.00 0.00 66.02 64.24 3fye s SER 341 CO 0.22 -3.01 2.01 0.25 0.98 0.00 0.00 173.24 173.70 3fye h LEU 342 N -1.81 0.67 0.02 2.42 5.85 -1.99 -1.28 115.31 119.20 3fye h LEU 342 Ca -0.48 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.22 3fye h LEU 342 Cb 1.28 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3fye h LEU 342 CO 0.48 0.48 -0.01 0.74 -0.34 0.00 0.00 178.44 179.79 3fye h THR 343 N 0.78 1.24 -0.13 1.05 2.02 -1.99 -1.43 112.91 114.46 3fye h THR 343 Ca 0.23 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.60 3fye h THR 343 Cb -0.04 1.81 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 3fye h THR 343 CO -0.05 0.21 -0.13 1.56 0.37 0.00 0.00 175.52 177.48 3fye h GLN 344 N -0.40 -0.16 -0.66 6.66 4.20 -1.90 -0.77 115.11 122.09 3fye h GLN 344 Ca -0.00 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.78 3fye h GLN 344 Cb 0.38 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.14 3fye h GLN 344 CO 0.01 -0.10 0.35 1.96 -0.67 0.00 0.00 178.83 180.37 3fye h GLN 345 N -0.16 0.62 -0.51 1.46 4.20 -1.21 -0.99 115.11 118.52 3fye h GLN 345 Ca 0.09 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3fye h GLN 345 Cb 0.30 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3fye h GLN 345 CO -0.23 0.41 0.11 0.77 -0.67 0.00 0.00 178.83 179.22 3fye h SER 346 N 0.64 0.79 0.12 1.46 0.02 -1.02 -1.48 113.55 114.08 3fye h SER 346 Ca 0.30 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3fye h SER 346 Cb 0.22 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3fye h SER 346 CO -0.20 0.83 -0.06 0.22 -1.14 0.00 0.00 176.83 176.48 3fye h TYR 347 N 0.72 -0.15 -0.07 3.45 3.20 -0.52 -2.32 116.97 121.28 3fye h TYR 347 Ca 0.16 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 3fye h TYR 347 Cb 0.36 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3fye h TYR 347 CO 0.02 -0.03 -0.28 0.74 -1.64 0.00 0.00 178.16 176.98 3fye h PHE 348 N -0.24 0.13 -0.16 -3.82 0.04 -1.15 -0.64 116.94 111.10 3fye h PHE 348 Ca -0.02 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3fye h PHE 348 Cb 0.19 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3fye h PHE 348 CO -0.05 0.40 0.07 1.98 -0.60 0.00 0.00 178.31 180.11 3fye h MET 349 N 0.11 0.24 0.04 1.51 4.05 -1.19 -1.04 114.93 118.65 3fye h MET 349 Ca 0.02 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3fye h MET 349 Cb 0.56 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 3fye h MET 349 CO 0.04 0.31 -0.02 0.52 0.23 0.00 0.00 176.91 177.99 3fye h MET 350 N 0.11 -0.05 -1.00 0.39 2.86 -0.83 -1.90 114.93 114.50 3fye h MET 350 Ca 0.05 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.82 3fye h MET 350 Cb 0.16 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.75 3fye h MET 350 CO -0.00 0.06 0.63 0.00 1.06 0.00 0.00 176.91 178.66 3fye h ALA 351 N 0.79 1.51 -0.52 6.32 0.00 -1.14 -1.84 119.26 124.38 3fye h ALA 351 Ca -0.01 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3fye h ALA 351 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fye h ALA 351 CO 0.01 0.22 -0.13 1.15 0.00 0.00 0.00 179.25 180.50 3fye h THR 352 N 0.99 1.27 -0.50 0.00 2.02 -1.05 -2.91 112.91 112.73 3fye h THR 352 Ca 0.50 -1.29 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 3fye h THR 352 Cb 0.49 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 3fye h THR 352 CO -0.27 0.45 -0.01 0.24 0.37 0.00 0.00 175.52 176.31 3fye h MET 353 N 0.88 0.84 0.12 6.66 2.86 -0.85 -2.81 114.93 122.62 3fye h MET 353 Ca 0.13 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 3fye h MET 353 Cb 0.71 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3fye h MET 353 CO 0.05 0.85 -0.07 0.28 1.06 0.00 0.00 176.91 179.09 3fye h VAL 354 N 0.78 0.86 0.00 -2.22 2.07 -1.27 -2.68 116.25 113.79 3fye h VAL 354 Ca 0.15 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 3fye h VAL 354 Cb 0.48 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3fye h VAL 354 CO 0.02 0.00 -0.07 -0.29 0.02 0.00 0.00 177.57 177.25 3fye h ILE 355 N -0.17 0.55 -0.48 4.57 2.10 -1.46 -1.51 117.51 121.11 3fye h ILE 355 Ca -0.01 -0.32 0.07 0.00 1.08 0.00 0.00 64.86 65.68 3fye h ILE 355 Cb 0.14 1.21 -0.03 0.00 -1.09 0.00 0.00 36.82 37.05 3fye h ILE 355 CO 0.02 0.07 0.33 0.00 -1.08 0.00 0.00 178.15 177.48 3fye h ALA 356 N 1.93 2.00 0.52 0.18 0.00 -1.21 -3.05 119.26 119.63 3fye h ALA 356 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3fye h ALA 356 Cb 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.92 3fye h ALA 356 CO 0.01 -0.10 -0.25 0.28 0.00 0.00 0.00 179.25 179.19 3fye h VAL 357 N 0.35 0.00 -0.09 0.00 2.07 -1.32 0.50 116.25 117.75 3fye h VAL 357 Ca 0.22 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3fye h VAL 357 Cb 0.40 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 3fye h VAL 357 CO -0.05 0.00 0.06 1.55 0.02 0.00 0.00 177.57 179.15 3fye h PRO 358 N -0.86 0.12 0.41 1.57 0.13 -1.71 -0.69 132.00 130.97 3fye h PRO 358 Ca -0.07 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.03 3fye h PRO 358 Cb 0.53 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.64 3fye h PRO 358 CO 0.12 0.08 -0.20 1.15 -0.23 0.00 0.00 178.00 178.92 3fye h THR 359 N 0.12 0.54 -0.14 1.56 2.02 -1.51 -3.08 112.91 112.43 3fye h THR 359 Ca 0.03 -0.43 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 3fye h THR 359 Cb -0.01 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3fye h THR 359 CO -0.01 0.07 -0.16 1.23 0.37 0.00 0.00 175.52 177.03 3fye h GLY 360 N -0.82 0.24 0.73 2.16 0.00 -0.74 -3.04 103.07 101.60 3fye h GLY 360 Ca -0.06 -0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.16 3fye h GLY 360 CO 0.09 0.14 0.18 -2.22 0.00 0.00 0.00 176.54 174.74 3fye h ILE 361 N 0.21 0.93 -0.73 2.60 1.08 -1.10 -2.85 117.51 117.66 3fye h ILE 361 Ca 0.04 -0.13 0.21 0.00 -0.39 0.00 0.00 64.86 64.59 3fye h ILE 361 Cb 0.41 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 3fye h ILE 361 CO 0.03 0.07 0.60 0.11 -0.69 0.00 0.00 178.15 178.27 3fye h LYS 362 N 0.37 0.00 -0.74 2.37 1.57 -1.44 0.47 116.57 119.18 3fye h LYS 362 Ca 0.18 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3fye h LYS 362 Cb 0.12 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3fye h LYS 362 CO -0.15 0.00 0.49 0.82 -0.57 0.00 0.00 179.45 180.04 3fye h ILE 363 N 0.00 1.19 -0.62 1.86 1.08 -1.67 -1.99 117.51 117.35 3fye h ILE 363 Ca 0.34 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 64.42 3fye h ILE 363 Cb 1.55 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 3fye h ILE 363 CO -0.00 0.18 0.17 -0.26 -0.69 0.00 0.00 178.15 177.54 3fye h PHE 364 N 0.99 0.99 -0.61 1.37 0.04 -0.19 -2.06 116.94 117.47 3fye h PHE 364 Ca 0.27 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 3fye h PHE 364 Cb -0.11 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.73 3fye h PHE 364 CO -0.02 0.81 0.10 0.77 -0.60 0.00 0.00 178.31 179.37 3fye h SER 365 N 0.92 0.97 -0.50 2.17 0.02 -1.30 0.49 113.55 116.32 3fye h SER 365 Ca 0.20 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 3fye h SER 365 Cb 0.30 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3fye h SER 365 CO -0.00 0.99 -0.00 -0.50 -1.14 0.00 0.00 176.83 176.17 3fye h TRP 366 N 0.92 0.96 -0.53 3.45 6.55 -1.23 -0.05 115.95 126.03 3fye h TRP 366 Ca 0.19 -0.17 -0.07 0.00 0.95 0.00 0.00 58.89 59.79 3fye h TRP 366 Cb 0.42 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.45 3fye h TRP 366 CO 0.03 0.90 0.05 0.82 -1.05 0.00 0.00 178.44 179.20 3fye h ILE 367 N 0.75 1.26 -0.38 1.49 2.04 -1.28 -2.59 117.51 118.80 3fye h ILE 367 Ca 0.14 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3fye h ILE 367 Cb 0.52 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3fye h ILE 367 CO 0.03 0.36 0.12 0.00 0.00 0.00 0.00 178.15 178.66 3fye h ALA 368 N 0.97 1.50 -0.77 1.87 0.00 -0.72 -0.29 119.26 121.82 3fye h ALA 368 Ca 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3fye h ALA 368 Cb 0.46 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3fye h ALA 368 CO 0.02 0.38 0.45 1.15 0.00 0.00 0.00 179.25 181.24 3fye h THR 369 N 0.54 1.22 -0.32 0.00 2.02 -0.75 -2.52 112.91 113.10 3fye h THR 369 Ca 0.13 -0.52 -0.14 0.00 0.77 0.00 0.00 66.41 66.65 3fye h THR 369 Cb 0.17 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3fye h THR 369 CO -0.01 0.24 -0.35 0.24 0.37 0.00 0.00 175.52 176.01 3fye h MET 370 N 1.06 0.72 -6.54 6.66 2.07 -1.02 -3.42 114.93 114.47 3fye h MET 370 Ca 0.27 -0.35 -0.53 0.00 -2.07 0.00 0.00 59.70 57.02 3fye h MET 370 Cb -0.01 -0.00 0.05 0.00 -1.87 0.00 0.00 31.60 29.77 3fye h MET 370 CO -0.05 0.96 1.08 1.87 1.07 0.00 0.00 176.91 181.84 3fye n TRP 371 N -4.06 2.64 -1.03 -0.22 -0.00 -0.18 -0.91 117.44 113.68 3fye n TRP 371 Ca -0.01 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.50 57.39 3fye n TRP 371 Cb 0.50 -2.71 -0.00 0.00 -0.00 0.00 0.00 31.31 29.10 3fye n TRP 371 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3fye n GLY 372 N 4.14 0.46 0.00 5.87 0.00 -1.26 -4.96 105.19 109.44 3fye n GLY 372 Ca 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3fye n GLY 372 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fye n GLY 373 N -2.09 0.18 2.77 -0.02 0.00 -0.08 -5.06 105.19 100.89 3fye n GLY 373 Ca -0.01 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 3fye n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fye s SER 374 N -1.00 3.84 -0.23 1.61 0.15 -0.23 -5.05 113.70 112.80 3fye s SER 374 Ca 0.00 -2.59 -0.21 0.00 0.70 0.00 0.00 55.95 53.85 3fye s SER 374 Cb 0.00 -1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 63.14 3fye s SER 374 CO 0.00 -0.28 0.67 -0.63 1.20 0.00 0.00 173.24 174.21 3fye s ILE 375 N 0.38 4.97 -0.20 6.45 1.01 -1.26 -4.24 121.20 128.30 3fye s ILE 375 Ca 0.17 1.25 -0.08 0.00 0.00 0.00 0.00 60.65 61.99 3fye s ILE 375 Cb -0.24 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 3fye s ILE 375 CO -0.02 0.04 0.08 -1.83 0.00 0.00 0.00 174.94 173.21 3fye s GLU 376 N 2.32 3.99 -0.56 2.79 -1.05 0.27 -5.01 118.70 121.45 3fye s GLU 376 Ca 0.29 -0.33 -0.04 0.00 -0.15 0.00 0.00 54.97 54.75 3fye s GLU 376 Cb -0.16 -3.28 0.12 0.00 -0.44 0.00 0.00 34.13 30.37 3fye s GLU 376 CO 0.09 0.22 2.61 1.28 0.95 0.00 0.00 175.26 180.41 3fye n LEU 377 N 3.71 6.73 -4.74 1.83 4.77 -1.26 -4.81 117.00 123.23 3fye n LEU 377 Ca -0.16 -4.26 -0.30 0.00 -0.03 0.00 0.00 56.01 51.26 3fye n LEU 377 Cb 0.52 -1.20 0.12 0.00 -2.33 0.00 0.00 43.42 40.52 3fye n LEU 377 CO 0.35 1.75 0.68 -0.54 -1.33 0.00 0.00 177.39 178.30 3fye s LYS 378 N -2.20 1.74 0.22 3.23 -0.14 -1.26 -4.73 119.74 116.60 3fye s LYS 378 Ca 0.57 0.97 -0.15 0.00 -1.36 0.00 0.00 55.97 56.00 3fye s LYS 378 Cb 0.39 -1.85 0.25 0.00 -1.68 0.00 0.00 37.83 34.93 3fye s LYS 378 CO -0.26 -1.95 1.59 1.15 -0.76 0.00 0.00 175.35 175.12 3fye h THR 379 N -1.34 0.19 -0.57 2.17 2.02 -1.93 -1.13 112.91 112.32 3fye h THR 379 Ca -0.47 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.75 3fye h THR 379 Cb 1.26 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3fye h THR 379 CO 0.53 0.00 0.38 -0.65 0.37 0.00 0.00 175.52 176.15 3fye h PRO 380 N -0.06 0.62 -0.33 6.66 0.11 -1.89 -1.45 132.00 135.66 3fye h PRO 380 Ca 0.32 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.25 3fye h PRO 380 Cb 0.56 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3fye h PRO 380 CO -0.77 0.41 -0.38 1.98 -0.21 0.00 0.00 178.00 179.03 3fye h MET 381 N 0.64 0.78 -0.21 1.05 1.85 -1.54 -2.20 114.93 115.30 3fye h MET 381 Ca 0.23 -0.40 0.03 0.00 -0.61 0.00 0.00 59.70 58.95 3fye h MET 381 Cb 0.13 0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.14 3fye h MET 381 CO -0.06 1.03 0.01 -0.07 -0.40 0.00 0.00 176.91 177.42 3fye h LEU 382 N 0.64 -0.06 -0.66 3.39 3.38 -0.74 -0.76 115.31 120.51 3fye h LEU 382 Ca 0.06 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.14 3fye h LEU 382 Cb 0.94 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 3fye h LEU 382 CO 0.09 0.00 0.34 -0.50 0.09 0.00 0.00 178.44 178.45 3fye h TRP 383 N 0.08 0.61 -0.79 1.13 4.06 -1.26 0.13 115.95 119.91 3fye h TRP 383 Ca 0.10 0.03 -0.04 0.00 2.06 0.00 0.00 58.89 61.04 3fye h TRP 383 Cb 0.11 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.07 3fye h TRP 383 CO -0.17 0.25 0.35 0.00 -3.56 0.00 0.00 178.44 175.31 3fye h ALA 384 N 1.39 1.02 -0.32 1.49 0.00 -1.07 0.17 119.26 121.94 3fye h ALA 384 Ca 0.32 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3fye h ALA 384 Cb 0.29 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fye h ALA 384 CO -0.23 0.62 -0.46 -0.07 0.00 0.00 0.00 179.25 179.10 3fye h LEU 385 N 1.13 0.93 -0.54 0.00 3.38 -0.58 -2.22 115.31 117.41 3fye h LEU 385 Ca 0.27 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3fye h LEU 385 Cb 0.16 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3fye h LEU 385 CO -0.03 1.24 0.30 1.23 0.09 0.00 0.00 178.44 181.27 3fye h GLY 386 N 0.79 0.77 0.25 0.83 0.00 -0.48 -2.50 103.07 102.72 3fye h GLY 386 Ca 0.04 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.25 3fye h GLY 386 CO 0.11 0.15 0.09 -2.75 0.00 0.00 0.00 176.54 174.14 3fye h PHE 387 N 0.58 0.14 -0.64 5.60 3.04 -0.45 -1.08 116.94 124.13 3fye h PHE 387 Ca 0.23 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.22 3fye h PHE 387 Cb 0.10 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.60 3fye h PHE 387 CO -0.08 -0.04 0.40 -0.07 -2.02 0.00 0.00 178.31 176.50 3fye h LEU 388 N 0.22 0.76 0.18 0.59 3.38 -0.98 0.88 115.31 120.35 3fye h LEU 388 Ca 0.28 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3fye h LEU 388 Cb 0.40 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fye h LEU 388 CO -0.37 0.59 -0.09 0.15 0.09 0.00 0.00 178.44 178.80 3fye h PHE 389 N 0.87 -0.23 -0.49 1.13 3.57 -1.16 -2.26 116.94 118.39 3fye h PHE 389 Ca 0.23 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 3fye h PHE 389 Cb -0.05 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3fye h PHE 389 CO -0.02 0.09 0.03 -0.07 -2.23 0.00 0.00 178.31 176.11 3fye h LEU 390 N -0.55 0.82 -1.10 0.59 3.38 -1.08 -0.89 115.31 116.47 3fye h LEU 390 Ca -0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 3fye h LEU 390 Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3fye h LEU 390 CO 0.04 0.90 0.25 0.15 0.09 0.00 0.00 178.44 179.87 3fye h PHE 391 N 0.70 0.89 0.07 1.13 3.57 -0.92 0.25 116.94 122.63 3fye h PHE 391 Ca 0.14 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3fye h PHE 391 Cb 0.46 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.93 3fye h PHE 391 CO 0.03 0.68 -0.03 1.15 -2.23 0.00 0.00 178.31 177.91 3fye h THR 392 N 0.87 1.09 -0.81 4.41 2.02 -1.07 0.18 112.91 119.59 3fye h THR 392 Ca 0.21 -0.54 0.06 0.00 0.77 0.00 0.00 66.41 66.91 3fye h THR 392 Cb 0.16 1.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.95 3fye h THR 392 CO -0.02 0.13 0.49 0.58 0.37 0.00 0.00 175.52 177.08 3fye h VAL 393 N -0.33 1.02 -0.34 3.16 2.07 -0.87 -1.39 116.25 119.57 3fye h VAL 393 Ca -0.01 -0.31 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 3fye h VAL 393 Cb 0.29 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3fye h VAL 393 CO 0.02 0.16 -0.39 1.23 0.02 0.00 0.00 177.57 178.61 3fye h GLY 394 N 0.90 0.89 1.10 2.17 0.00 -0.95 -3.25 103.07 103.94 3fye h GLY 394 Ca 0.36 -0.91 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 3fye h GLY 394 CO -0.18 0.82 0.08 -1.33 0.00 0.00 0.00 176.54 175.93 3fye h GLY 395 N 0.87 1.18 1.92 4.60 0.00 0.20 -2.59 103.07 109.25 3fye h GLY 395 Ca 0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.49 3fye h GLY 395 CO 0.09 0.74 -0.41 -0.39 0.00 0.00 0.00 176.54 176.57 3fye h VAL 396 N 1.02 1.30 0.00 4.60 -1.51 -1.36 -1.91 116.25 118.39 3fye h VAL 396 Ca 0.20 -1.46 -0.06 0.00 -1.23 0.00 0.00 66.70 64.14 3fye h VAL 396 Cb 0.47 1.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 3fye h VAL 396 CO 0.02 0.43 -0.30 0.71 -1.23 0.00 0.00 177.57 177.20 3fye h THR 397 N 0.07 0.60 -0.69 7.19 1.35 -1.57 -2.50 112.91 117.38 3fye h THR 397 Ca 0.00 -1.48 0.01 0.00 -0.55 0.00 0.00 66.41 64.40 3fye h THR 397 Cb 0.76 2.01 -0.04 0.00 -1.73 0.00 0.00 68.15 69.16 3fye h THR 397 CO 0.06 0.29 0.45 1.23 -0.25 0.00 0.00 175.52 177.30 3fye h GLY 398 N 2.74 0.97 0.82 5.82 0.00 -0.96 -1.34 103.07 111.13 3fye h GLY 398 Ca -0.00 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.00 3fye h GLY 398 CO 0.04 0.33 0.15 -2.22 0.00 0.00 0.00 176.54 174.85 3fye h ILE 399 N 0.91 0.97 -0.21 2.60 1.08 -1.00 0.26 117.51 122.12 3fye h ILE 399 Ca 0.26 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.67 3fye h ILE 399 Cb -0.08 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 34.24 3fye h ILE 399 CO -0.07 0.06 -0.16 0.58 -0.69 0.00 0.00 178.15 177.87 3fye h VAL 400 N 0.32 0.55 -0.37 1.67 2.07 -1.29 -2.91 116.25 116.29 3fye h VAL 400 Ca 0.14 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 3fye h VAL 400 Cb 0.06 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3fye h VAL 400 CO -0.11 0.00 0.10 -0.07 0.02 0.00 0.00 177.57 177.51 3fye h LEU 401 N -0.17 0.49 -1.80 2.57 3.38 -0.42 -2.52 115.31 116.85 3fye h LEU 401 Ca 0.12 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.11 3fye h LEU 401 Cb 0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3fye h LEU 401 CO -0.31 0.49 0.29 0.77 0.09 0.00 0.00 178.44 179.77 3fye h SER 402 N 0.53 0.21 -2.07 -0.43 4.64 -0.76 -3.37 113.55 112.30 3fye h SER 402 Ca 0.12 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.94 3fye h SER 402 Cb 0.19 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.19 3fye h SER 402 CO -0.00 0.14 1.24 -1.10 -0.87 0.00 0.00 176.83 176.23 3fye s GLN 403 N -5.24 2.84 0.38 4.77 -1.52 -0.95 -4.64 119.66 115.29 3fye s GLN 403 Ca -0.07 0.26 0.16 0.00 -1.95 0.00 0.00 55.36 53.76 3fye s GLN 403 Cb 0.19 -4.34 1.05 0.00 -0.22 0.00 0.00 33.01 29.68 3fye s GLN 403 CO 0.72 -2.53 1.76 0.00 -0.25 0.00 0.00 175.29 174.99 3fye h ALA 404 N 13.04 2.13 -0.16 6.09 0.00 -1.86 0.35 119.26 138.84 3fye h ALA 404 Ca -0.25 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3fye h ALA 404 Cb 1.12 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3fye h ALA 404 CO 1.24 -0.54 -0.14 0.66 0.00 0.00 0.00 179.25 180.47 3fye h SER 405 N 0.44 0.24 0.49 0.00 4.64 -1.92 -1.85 113.55 115.59 3fye h SER 405 Ca 0.60 -0.05 -0.29 0.00 -0.47 0.00 0.00 61.79 61.58 3fye h SER 405 Cb 1.42 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 63.41 3fye h SER 405 CO -0.33 0.40 -1.65 0.58 -0.87 0.00 0.00 176.83 174.97 3fye h VAL 406 N 0.24 0.95 0.00 0.95 2.07 -1.39 -3.29 116.25 115.77 3fye h VAL 406 Ca 0.05 -2.74 -0.01 0.00 0.82 0.00 0.00 66.70 64.81 3fye h VAL 406 Cb 0.40 2.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3fye h VAL 406 CO 0.02 0.64 -0.05 -0.78 0.02 0.00 0.00 177.57 177.42 3fye h ASP 407 N 0.02 0.00 -0.91 0.57 3.58 -0.78 -1.80 116.42 117.10 3fye h ASP 407 Ca -0.27 0.00 0.18 0.00 0.42 0.00 0.00 57.03 57.36 3fye h ASP 407 Cb 1.99 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.94 3fye h ASP 407 CO 0.10 0.05 0.48 -0.09 -2.88 0.00 0.00 179.24 176.90 3fye h ARG 408 N 0.00 0.60 0.17 0.28 9.65 -1.41 0.47 114.38 124.14 3fye h ARG 408 Ca -0.00 -0.04 -0.22 0.00 -1.10 0.00 0.00 59.98 58.63 3fye h ARG 408 Cb 0.13 -0.14 0.03 0.00 -1.39 0.00 0.00 29.97 28.60 3fye h ARG 408 CO 0.01 0.40 -0.95 -0.92 2.80 0.00 0.00 179.97 181.31 3fye h TYR 409 N 0.62 0.64 0.00 2.20 5.03 -1.54 -3.38 116.97 120.54 3fye h TYR 409 Ca 0.52 -0.47 -0.07 0.00 2.58 0.00 0.00 58.73 61.29 3fye h TYR 409 Cb 0.82 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.06 3fye h TYR 409 CO -0.07 1.36 -0.60 1.88 -1.32 0.00 0.00 178.16 179.41 3fye h TYR 410 N -0.27 0.00 -3.07 -3.82 0.05 -0.99 -3.46 116.97 105.42 3fye h TYR 410 Ca -0.17 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.06 3fye h TYR 410 Cb 1.75 0.00 0.09 0.00 1.01 0.00 0.00 36.73 39.58 3fye h TYR 410 CO 0.18 0.31 0.76 1.58 -1.05 0.00 0.00 178.16 179.95 3fye n HIS 411 N -3.05 2.58 -2.96 4.88 -0.00 0.16 -1.66 115.22 115.15 3fye n HIS 411 Ca 0.00 0.34 -0.22 0.00 0.46 0.00 0.00 57.72 58.30 3fye n HIS 411 Cb 0.67 -2.54 0.03 0.00 -0.12 0.00 0.00 29.99 28.04 3fye n HIS 411 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3fye n ASP 412 N 2.07 -6.02 -4.50 0.26 8.00 -1.26 -5.00 116.55 110.10 3fye n ASP 412 Ca 0.09 -0.27 -0.24 0.00 0.71 0.00 0.00 54.79 55.09 3fye n ASP 412 Cb 0.35 -4.84 -0.11 0.00 -0.02 0.00 0.00 41.12 36.50 3fye n ASP 412 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fye s THR 413 N -3.16 1.57 -0.91 -3.53 -4.23 -0.67 -1.77 115.64 102.95 3fye s THR 413 Ca 0.28 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.82 3fye s THR 413 Cb -0.12 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 70.98 3fye s THR 413 CO 0.35 -0.06 1.19 -1.22 -0.54 0.00 0.00 174.62 174.34 3fye n TYR 414 N -0.76 0.09 -0.08 3.99 4.02 -0.53 -2.14 117.16 121.76 3fye n TYR 414 Ca -0.04 0.05 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 3fye n TYR 414 Cb 0.66 -0.57 0.10 0.00 -0.02 0.00 0.00 39.34 39.50 3fye n TYR 414 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 3fye h TYR 415 N 0.00 0.85 -0.33 -0.72 5.03 -1.82 -0.56 116.97 119.42 3fye h TYR 415 Ca 0.00 -0.19 -0.12 0.00 2.58 0.00 0.00 58.73 60.99 3fye h TYR 415 Cb 0.07 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 3fye h TYR 415 CO 0.00 0.91 -0.28 0.28 -1.32 0.00 0.00 178.16 177.74 3fye h VAL 416 N 0.65 1.29 -0.72 1.81 2.07 -1.64 -1.21 116.25 118.51 3fye h VAL 416 Ca 0.09 -1.44 0.07 0.00 0.82 0.00 0.00 66.70 66.24 3fye h VAL 416 Cb 0.73 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3fye h VAL 416 CO 0.06 0.47 0.39 0.58 0.02 0.00 0.00 177.57 179.09 3fye h VAL 417 N 0.53 0.93 0.02 2.57 2.07 -1.52 -1.48 116.25 119.38 3fye h VAL 417 Ca 0.06 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3fye h VAL 417 Cb 0.85 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3fye h VAL 417 CO 0.07 0.13 -0.01 0.00 0.02 0.00 0.00 177.57 177.78 3fye h ALA 418 N 1.39 -0.03 -0.45 1.67 0.00 -1.01 -2.06 119.26 118.77 3fye h ALA 418 Ca 0.33 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.21 3fye h ALA 418 Cb 0.27 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.97 3fye h ALA 418 CO -0.22 -0.42 -0.46 1.25 0.00 0.00 0.00 179.25 179.40 3fye h HIS 419 N -0.22 -1.37 0.00 0.00 6.17 -0.86 -1.57 115.15 117.30 3fye h HIS 419 Ca -0.00 0.08 -0.11 0.00 0.71 0.00 0.00 60.37 61.04 3fye h HIS 419 Cb 0.21 0.66 -0.02 0.00 2.52 0.00 0.00 27.41 30.78 3fye h HIS 419 CO -0.01 -0.45 -0.52 0.27 0.71 0.00 0.00 177.93 177.93 3fye h PHE 420 N -0.32 0.00 -0.33 5.26 -5.15 -1.28 -1.22 116.94 113.90 3fye h PHE 420 Ca 0.13 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.82 3fye h PHE 420 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.74 3fye h PHE 420 CO -0.67 0.52 -0.16 0.45 -2.00 0.00 0.00 178.31 176.46 3fye h HIS 421 N 0.00 0.64 0.26 6.09 3.86 -1.25 0.19 115.15 124.93 3fye h HIS 421 Ca -0.01 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 3fye h HIS 421 Cb 1.34 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.64 3fye h HIS 421 CO 0.00 0.71 -0.13 1.88 0.86 0.00 0.00 177.93 181.25 3fye h TYR 422 N 0.53 -0.32 0.14 2.45 -1.99 -1.00 0.36 116.97 117.13 3fye h TYR 422 Ca 0.09 -0.01 -0.30 0.00 2.00 0.00 0.00 58.73 60.51 3fye h TYR 422 Cb 0.57 0.11 0.03 0.00 2.00 0.00 0.00 36.73 39.44 3fye h TYR 422 CO 0.02 0.04 -1.27 -0.24 -0.00 0.00 0.00 178.16 176.72 3fye h VAL 423 N -0.84 1.32 0.00 -2.88 3.04 -1.28 -3.13 116.25 112.48 3fye h VAL 423 Ca -0.04 -2.59 -0.01 0.00 -1.01 0.00 0.00 66.70 63.05 3fye h VAL 423 Cb 0.51 2.77 -0.00 0.00 -2.01 0.00 0.00 31.29 32.57 3fye h VAL 423 CO 0.06 0.78 -0.77 0.80 -1.01 0.00 0.00 177.57 177.43 3fye n MET 424 N -3.73 0.39 0.12 4.17 0.00 -0.23 -3.90 117.12 113.93 3fye n MET 424 Ca -0.13 0.16 -0.14 0.00 -0.00 0.00 0.00 57.70 57.59 3fye n MET 424 Cb 1.00 -1.19 -0.08 0.00 0.00 0.00 0.00 33.22 32.96 3fye n MET 424 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3fye h SER 425 N -0.74 -0.22 0.20 6.12 0.02 -1.01 -0.07 113.55 117.85 3fye h SER 425 Ca -0.01 -0.12 -0.18 0.00 -0.84 0.00 0.00 61.79 60.64 3fye h SER 425 Cb 0.76 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 3fye h SER 425 CO -0.01 -0.02 -0.68 -0.07 -1.14 0.00 0.00 176.83 174.91 3fye h LEU 426 N -0.42 0.51 -0.05 5.07 3.38 -0.41 -2.17 115.31 121.22 3fye h LEU 426 Ca -0.03 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.66 3fye h LEU 426 Cb 0.33 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3fye h LEU 426 CO 0.04 1.05 -0.36 1.23 0.09 0.00 0.00 178.44 180.49 3fye h GLY 427 N 1.21 -0.60 0.97 0.83 0.00 -1.47 0.12 103.07 104.13 3fye h GLY 427 Ca -0.02 0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 3fye h GLY 427 CO 0.12 -0.23 0.21 0.00 0.00 0.00 0.00 176.54 176.63 3fye h ALA 428 N 0.20 0.47 -0.76 3.60 0.00 -1.03 -1.87 119.26 119.87 3fye h ALA 428 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3fye h ALA 428 Cb 0.59 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3fye h ALA 428 CO -0.32 -0.01 0.33 0.28 0.00 0.00 0.00 179.25 179.53 3fye h VAL 429 N 0.47 1.25 -0.05 0.00 2.07 -1.21 0.15 116.25 118.93 3fye h VAL 429 Ca 0.13 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.77 3fye h VAL 429 Cb 0.04 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3fye h VAL 429 CO -0.02 0.31 -0.57 -0.26 0.02 0.00 0.00 177.57 177.04 3fye h PHE 430 N 1.09 0.19 -0.43 1.57 -1.00 -0.69 -0.70 116.94 116.97 3fye h PHE 430 Ca 0.26 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 3fye h PHE 430 Cb 0.17 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 3fye h PHE 430 CO 0.01 0.69 0.14 0.78 -1.61 0.00 0.00 178.31 178.32 3fye h GLY 431 N 1.54 0.72 0.90 -1.45 0.00 -0.91 -0.42 103.07 103.45 3fye h GLY 431 Ca -0.00 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3fye h GLY 431 CO 0.08 0.40 0.04 -2.22 0.00 0.00 0.00 176.54 174.84 3fye h ILE 432 N 0.56 1.11 -0.57 2.60 2.04 -0.36 -1.66 117.51 121.23 3fye h ILE 432 Ca 0.14 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 3fye h ILE 432 Cb 0.26 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3fye h ILE 432 CO -0.01 0.10 0.07 -0.26 0.00 0.00 0.00 178.15 178.05 3fye h PHE 433 N 0.01 0.99 -0.58 1.37 0.04 -1.10 -0.83 116.94 116.84 3fye h PHE 433 Ca 0.03 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.72 3fye h PHE 433 Cb 0.12 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 37.94 3fye h PHE 433 CO -0.03 0.86 0.30 0.00 -0.60 0.00 0.00 178.31 178.84 3fye h ALA 434 N 1.19 0.76 -0.35 2.45 0.00 -0.95 -2.07 119.26 120.28 3fye h ALA 434 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3fye h ALA 434 Cb 0.42 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3fye h ALA 434 CO 0.01 -0.03 0.06 0.78 0.00 0.00 0.00 179.25 180.07 3fye h GLY 435 N 0.58 0.63 0.92 0.00 0.00 -0.71 -1.57 103.07 102.91 3fye h GLY 435 Ca 0.26 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3fye h GLY 435 CO -0.17 0.38 0.09 -2.22 0.00 0.00 0.00 176.54 174.62 3fye h ILE 436 N 0.42 1.14 -0.36 2.60 2.04 -0.96 0.35 117.51 122.74 3fye h ILE 436 Ca 0.11 -0.39 -0.15 0.00 1.00 0.00 0.00 64.86 65.42 3fye h ILE 436 Cb 0.34 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3fye h ILE 436 CO 0.01 0.13 -0.38 1.88 0.00 0.00 0.00 178.15 179.79 3fye h TYR 437 N 0.19 1.04 -0.60 1.37 0.05 -1.40 0.56 116.97 118.18 3fye h TYR 437 Ca 0.07 -0.31 0.07 0.00 0.05 0.00 0.00 58.73 58.61 3fye h TYR 437 Cb 0.12 -0.22 -0.06 0.00 1.01 0.00 0.00 36.73 37.58 3fye h TYR 437 CO -0.02 1.11 0.28 0.35 -1.05 0.00 0.00 178.16 178.83 3fye h PHE 438 N 0.72 0.51 -0.00 4.88 3.57 -1.13 -3.36 116.94 122.13 3fye h PHE 438 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3fye h PHE 438 Cb 0.96 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3fye h PHE 438 CO 0.06 0.21 -0.33 0.91 -2.23 0.00 0.00 178.31 176.92 3fye n TRP 439 N -4.90 0.00 -0.37 0.41 8.01 0.10 -4.67 117.44 116.02 3fye n TRP 439 Ca 0.08 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.28 3fye n TRP 439 Cb 0.21 0.00 0.15 0.00 -2.01 0.00 0.00 31.31 29.66 3fye n TRP 439 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.69 177.65 3fye h ILE 440 N 0.16 1.14 -0.42 -0.99 2.10 -1.03 0.15 117.51 118.62 3fye h ILE 440 Ca 0.00 -0.43 0.01 0.00 1.08 0.00 0.00 64.86 65.52 3fye h ILE 440 Cb 0.20 -0.21 -0.02 0.00 -1.09 0.00 0.00 36.82 35.70 3fye h ILE 440 CO 0.00 0.23 0.26 1.23 -1.08 0.00 0.00 178.15 178.79 3fye h GLY 441 N 1.24 0.59 0.99 8.18 0.00 -1.82 0.15 103.07 112.40 3fye h GLY 441 Ca 0.41 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.55 3fye h GLY 441 CO -0.14 0.19 0.33 1.70 0.00 0.00 0.00 176.54 178.62 3fye h LYS 442 N 0.53 0.66 0.00 4.80 1.63 -1.58 0.22 116.57 122.84 3fye h LYS 442 Ca 0.16 -0.04 -0.21 0.00 -0.85 0.00 0.00 60.65 59.71 3fye h LYS 442 Cb -0.03 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.45 3fye h LYS 442 CO -0.05 0.44 -0.91 0.52 -3.45 0.00 0.00 179.45 175.99 3fye h MET 443 N 0.68 0.31 0.00 1.90 2.86 -0.87 -3.28 114.93 116.52 3fye h MET 443 Ca 0.19 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3fye h MET 443 Cb -0.07 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3fye h MET 443 CO -0.05 1.03 -1.44 -1.13 1.06 0.00 0.00 176.91 176.39 3fye n SER 444 N -3.70 2.83 0.00 1.22 3.41 0.03 -4.65 113.62 112.76 3fye n SER 444 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3fye n SER 444 Cb 0.82 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 66.20 3fye n SER 444 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fye n GLY 445 N 1.97 0.84 3.14 5.00 0.00 0.06 -4.67 105.19 111.52 3fye n GLY 445 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3fye n GLY 445 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fye s ARG 446 N -0.15 1.15 0.00 1.61 0.52 -1.25 -0.15 118.95 120.68 3fye s ARG 446 Ca 0.00 -0.64 -0.02 0.00 -0.52 0.00 0.00 55.73 54.55 3fye s ARG 446 Cb 0.00 -1.14 -0.04 0.00 0.52 0.00 0.00 34.95 34.29 3fye s ARG 446 CO 0.00 0.30 0.15 -1.14 0.02 0.00 0.00 175.30 174.63 3fye s GLN 447 N -0.66 3.30 0.44 3.54 2.00 0.41 -3.19 119.66 125.50 3fye s GLN 447 Ca 0.05 -0.40 -0.20 0.00 -2.00 0.00 0.00 55.36 52.81 3fye s GLN 447 Cb -0.07 -3.01 -0.10 0.00 0.80 0.00 0.00 33.01 30.63 3fye s GLN 447 CO 0.00 0.66 0.96 1.52 -0.50 0.00 0.00 175.29 177.93 3fye s TYR 448 N -1.30 3.31 -0.09 1.67 1.13 -1.26 -3.49 117.35 117.32 3fye s TYR 448 Ca 0.27 1.59 -0.30 0.00 -1.41 0.00 0.00 57.07 57.22 3fye s TYR 448 Cb -0.12 -2.85 -0.03 0.00 -1.10 0.00 0.00 41.96 37.85 3fye s TYR 448 CO 0.18 -0.17 1.29 -1.25 -2.51 0.00 0.00 175.55 173.08 3fye s PRO 449 N -3.30 4.28 0.24 -3.49 0.04 -1.26 -4.95 135.00 126.56 3fye s PRO 449 Ca 0.62 1.75 -0.07 0.00 0.04 0.00 0.00 61.00 63.34 3fye s PRO 449 Cb -0.09 -3.67 0.24 0.00 0.04 0.00 0.00 34.50 31.01 3fye s PRO 449 CO 0.16 -0.60 1.92 1.49 0.04 0.00 0.00 177.00 180.00 3fye h GLU 450 N 7.97 1.27 -0.42 4.56 4.57 -2.00 -1.75 114.58 128.78 3fye h GLU 450 Ca -0.32 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 57.73 3fye h GLU 450 Cb 1.14 -0.28 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 3fye h GLU 450 CO 0.93 0.84 0.05 0.11 -1.18 0.00 0.00 179.01 179.76 3fye h TRP 451 N 1.31 0.66 -0.09 0.92 5.08 -2.00 -2.19 115.95 119.64 3fye h TRP 451 Ca 0.35 -0.06 -0.20 0.00 1.08 0.00 0.00 58.89 60.06 3fye h TRP 451 Cb -0.15 -0.19 0.01 0.00 -3.00 0.00 0.00 29.16 25.83 3fye h TRP 451 CO -0.00 0.60 -0.74 0.00 -1.28 0.00 0.00 178.44 177.02 3fye h ALA 452 N 1.45 0.21 -0.56 0.11 0.00 -1.76 -1.75 119.26 116.96 3fye h ALA 452 Ca 0.13 -0.59 0.11 0.00 0.00 0.00 0.00 54.91 54.56 3fye h ALA 452 Cb 0.31 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 3fye h ALA 452 CO 0.00 0.56 -0.23 0.78 0.00 0.00 0.00 179.25 180.37 3fye h GLY 453 N 0.32 0.19 1.13 0.00 0.00 -1.11 -0.59 103.07 103.01 3fye h GLY 453 Ca -0.07 0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.42 3fye h GLY 453 CO 0.15 -0.23 -0.25 0.50 0.00 0.00 0.00 176.54 176.71 3fye h LYS 454 N -0.09 0.98 -0.67 4.80 1.57 -1.34 -1.27 116.57 120.55 3fye h LYS 454 Ca 0.26 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3fye h LYS 454 Cb 0.49 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3fye h LYS 454 CO -0.62 1.11 0.39 1.25 -0.57 0.00 0.00 179.45 181.01 3fye h LEU 455 N 0.84 0.81 0.00 2.94 5.85 -1.09 -1.30 115.31 123.36 3fye h LEU 455 Ca 0.10 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3fye h LEU 455 Cb 0.83 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 3fye h LEU 455 CO 0.07 0.65 -0.14 -0.74 -0.34 0.00 0.00 178.44 177.94 3fye h HIS 456 N 0.91 -0.35 -0.16 1.25 2.76 -0.91 -1.69 115.15 116.96 3fye h HIS 456 Ca 0.24 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.47 3fye h HIS 456 Cb -0.00 0.16 -0.06 0.00 1.55 0.00 0.00 27.41 29.05 3fye h HIS 456 CO -0.01 -0.20 -0.22 0.35 -1.30 0.00 0.00 177.93 176.55 3fye h PHE 457 N -0.23 -0.57 -0.49 5.26 3.57 -0.90 -0.98 116.94 122.60 3fye h PHE 457 Ca 0.05 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 3fye h PHE 457 Cb 0.29 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3fye h PHE 457 CO -0.19 -0.30 -0.14 -1.49 -2.23 0.00 0.00 178.31 173.96 3fye h TRP 458 N -0.26 1.06 -0.24 0.41 4.06 -1.14 0.15 115.95 119.98 3fye h TRP 458 Ca 0.11 -0.22 -0.00 0.00 2.06 0.00 0.00 58.89 60.83 3fye h TRP 458 Cb 0.42 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.31 3fye h TRP 458 CO -0.33 1.01 0.14 0.52 -3.56 0.00 0.00 178.44 176.22 3fye h MET 459 N 0.84 0.33 -0.47 0.49 2.86 -1.15 -1.63 114.93 116.21 3fye h MET 459 Ca 0.13 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3fye h MET 459 Cb 0.69 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3fye h MET 459 CO 0.05 0.28 0.16 1.98 1.06 0.00 0.00 176.91 180.44 3fye h MET 460 N 0.29 0.72 -0.55 1.72 1.85 -0.98 0.95 114.93 118.93 3fye h MET 460 Ca 0.09 -0.15 -0.07 0.00 -0.61 0.00 0.00 59.70 58.95 3fye h MET 460 Cb 0.04 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 31.94 3fye h MET 460 CO -0.02 0.68 0.06 0.35 -0.40 0.00 0.00 176.91 177.58 3fye h PHE 461 N 0.62 1.01 -0.05 1.39 3.04 -0.58 0.18 116.94 122.54 3fye h PHE 461 Ca 0.15 -0.15 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 3fye h PHE 461 Cb 0.25 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.49 3fye h PHE 461 CO 0.01 0.90 -0.24 0.28 -2.02 0.00 0.00 178.31 177.24 3fye h VAL 462 N 0.83 1.45 -0.38 1.41 2.07 -1.26 -3.00 116.25 117.36 3fye h VAL 462 Ca 0.16 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 66.07 3fye h VAL 462 Cb 0.46 2.38 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 3fye h VAL 462 CO 0.02 0.47 0.05 1.23 0.02 0.00 0.00 177.57 179.36 3fye h GLY 463 N -0.27 0.43 1.22 2.17 0.00 -0.64 -1.31 103.07 104.67 3fye h GLY 463 Ca -0.01 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3fye h GLY 463 CO 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 176.54 176.62 3fye h ALA 464 N 1.30 1.04 -0.35 3.60 0.00 -0.70 -0.81 119.26 123.34 3fye h ALA 464 Ca 0.18 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 3fye h ALA 464 Cb 0.23 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fye h ALA 464 CO -0.26 0.61 -0.21 -0.91 0.00 0.00 0.00 179.25 178.48 3fye h ASN 465 N 0.90 0.78 -0.56 0.00 2.35 -1.36 -1.77 115.58 115.92 3fye h ASN 465 Ca 0.18 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3fye h ASN 465 Cb 0.42 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3fye h ASN 465 CO 0.01 1.04 0.34 -0.07 -1.65 0.00 0.00 177.43 177.10 3fye h LEU 466 N 0.53 0.69 0.26 1.61 3.38 -0.99 -1.56 115.31 119.24 3fye h LEU 466 Ca 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3fye h LEU 466 Cb 0.76 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3fye h LEU 466 CO 0.06 0.54 -0.12 0.74 0.09 0.00 0.00 178.44 179.74 3fye h THR 467 N 0.80 0.78 0.00 0.22 2.02 -1.03 -3.31 112.91 112.40 3fye h THR 467 Ca 0.21 -0.61 -0.36 0.00 0.77 0.00 0.00 66.41 66.42 3fye h THR 467 Cb -0.02 1.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 3fye h THR 467 CO -0.04 0.13 -2.29 0.49 0.37 0.00 0.00 175.52 174.18 3fye n PHE 468 N -5.10 0.16 -0.19 3.16 3.72 -0.68 -4.36 117.46 114.17 3fye n PHE 468 Ca -0.09 0.06 -0.06 0.00 -0.05 0.00 0.00 57.45 57.31 3fye n PHE 468 Cb 0.25 -1.03 0.04 0.00 -0.94 0.00 0.00 39.48 37.80 3fye n PHE 468 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 3fye h PHE 469 N 0.00 0.66 0.00 1.38 3.57 -1.49 -1.75 116.94 119.30 3fye h PHE 469 Ca -0.51 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 3fye h PHE 469 Cb 2.21 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 40.73 3fye h PHE 469 CO 0.00 0.40 -0.01 -1.35 -2.23 0.00 0.00 178.31 175.12 3fye h PRO 470 N 0.71 0.00 0.00 6.41 0.11 -1.77 -2.40 132.00 135.06 3fye h PRO 470 Ca 0.21 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 3fye h PRO 470 Cb -0.03 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3fye h PRO 470 CO -0.07 0.01 -0.18 1.96 -0.21 0.00 0.00 178.00 179.50 3fye h GLN 471 N 0.00 0.00 -0.97 1.05 4.20 -1.51 -1.87 115.11 116.01 3fye h GLN 471 Ca -0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3fye h GLN 471 Cb 0.04 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 3fye h GLN 471 CO 0.00 0.18 0.64 0.45 -0.67 0.00 0.00 178.83 179.43 3fye h HIS 472 N 0.00 1.20 -0.35 2.96 3.86 -1.50 -1.58 115.15 119.74 3fye h HIS 472 Ca -0.00 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 3fye h HIS 472 Cb 0.50 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 3fye h HIS 472 CO 0.00 0.74 -0.14 0.74 0.86 0.00 0.00 177.93 180.13 3fye h PHE 473 N 1.28 0.82 -0.79 2.45 0.04 -1.50 -1.71 116.94 117.52 3fye h PHE 473 Ca 0.36 -0.19 0.04 0.00 2.80 0.00 0.00 57.97 60.98 3fye h PHE 473 Cb -0.11 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 37.80 3fye h PHE 473 CO -0.00 0.90 0.50 -0.07 -0.60 0.00 0.00 178.31 179.03 3fye h LEU 474 N 0.50 0.81 -0.35 1.54 3.38 -1.24 -1.68 115.31 118.27 3fye h LEU 474 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 3fye h LEU 474 Cb 0.66 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3fye h LEU 474 CO 0.05 0.54 -0.10 1.23 0.09 0.00 0.00 178.44 180.25 3fye h GLY 475 N 0.95 0.74 1.34 0.83 0.00 -1.18 -0.39 103.07 105.35 3fye h GLY 475 Ca 0.33 -0.62 0.03 0.00 0.00 0.00 0.00 47.33 47.07 3fye h GLY 475 CO -0.13 0.56 0.37 3.21 0.00 0.00 0.00 176.54 180.55 3fye h ARG 476 N 0.47 0.61 -0.00 4.80 3.08 -1.16 -0.96 114.38 121.22 3fye h ARG 476 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3fye h ARG 476 Cb 0.61 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3fye h ARG 476 CO 0.04 0.41 -0.04 1.04 -1.07 0.00 0.00 179.97 180.34 3fye n GLN 477 N -4.47 0.80 -0.42 0.04 1.13 -0.64 -4.93 117.38 108.89 3fye n GLN 477 Ca 0.07 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 3fye n GLN 477 Cb 0.14 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.00 3fye n GLN 477 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fye n GLY 478 N 1.19 0.88 3.63 1.08 0.00 -0.37 -5.05 105.19 106.56 3fye n GLY 478 Ca 0.17 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3fye n GLY 478 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fye s MET 479 N -0.94 3.86 0.73 1.61 1.75 -0.22 -4.99 119.30 121.09 3fye s MET 479 Ca 0.00 1.59 -0.12 0.00 -1.25 0.00 0.00 55.69 55.91 3fye s MET 479 Cb 0.00 -3.99 0.03 0.00 2.84 0.00 0.00 34.83 33.72 3fye s MET 479 CO 0.00 -1.21 1.09 -2.14 -0.65 0.00 0.00 175.02 172.11 3fye s PRO 480 N 4.48 2.52 0.64 4.11 0.02 -1.26 -1.45 135.00 144.05 3fye s PRO 480 Ca 0.67 1.21 -0.15 0.00 0.02 0.00 0.00 61.00 62.75 3fye s PRO 480 Cb -0.23 -1.93 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 3fye s PRO 480 CO 0.27 -1.45 1.09 1.03 -0.33 0.00 0.00 177.00 177.61 3fye s ARG 481 N -4.66 2.98 -0.87 5.54 0.52 -0.73 -4.33 118.95 117.42 3fye s ARG 481 Ca 0.63 1.31 -0.01 0.00 -0.52 0.00 0.00 55.73 57.13 3fye s ARG 481 Cb -0.18 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.31 3fye s ARG 481 CO 0.51 -1.09 0.10 0.54 0.02 0.00 0.00 175.30 175.38 3fye n ARG 482 N -2.32 -1.38 -4.14 3.54 1.74 -1.26 -4.98 116.66 107.86 3fye n ARG 482 Ca 0.10 0.50 -0.35 0.00 -0.77 0.00 0.00 57.85 57.33 3fye n ARG 482 Cb 0.52 -4.53 -0.12 0.00 -1.02 0.00 0.00 32.46 27.31 3fye n ARG 482 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3fye s TYR 483 N -2.63 3.05 0.35 -1.55 1.51 -1.26 -4.90 117.35 111.91 3fye s TYR 483 Ca 0.05 -0.39 0.17 0.00 -1.01 0.00 0.00 57.07 55.88 3fye s TYR 483 Cb -0.02 -2.06 0.87 0.00 -0.11 0.00 0.00 41.96 40.64 3fye s TYR 483 CO 0.06 -0.17 1.86 0.97 -1.11 0.00 0.00 175.55 177.16 3fye h ILE 484 N 5.30 1.05 -3.76 2.71 2.10 -1.95 -3.46 117.51 119.50 3fye h ILE 484 Ca -0.35 -1.15 -0.08 0.00 1.08 0.00 0.00 64.86 64.36 3fye h ILE 484 Cb 1.18 1.65 -0.14 0.00 -1.09 0.00 0.00 36.82 38.42 3fye h ILE 484 CO 0.62 0.31 -0.35 -0.62 -1.08 0.00 0.00 178.15 177.03 3fye s ASP 485 N -6.69 0.09 0.01 2.19 2.15 -1.26 -4.76 116.67 108.40 3fye s ASP 485 Ca -0.02 -0.61 -0.15 0.00 0.43 0.00 0.00 52.55 52.20 3fye s ASP 485 Cb 0.14 0.35 0.02 0.00 -0.30 0.00 0.00 42.92 43.12 3fye s ASP 485 CO 0.69 -0.73 0.31 -0.72 -0.17 0.00 0.00 175.17 174.55 3fye s TYR 486 N -3.77 -0.15 0.28 -5.34 1.13 -1.26 -5.06 117.35 103.17 3fye s TYR 486 Ca 0.04 0.16 -0.28 0.00 -1.41 0.00 0.00 57.07 55.58 3fye s TYR 486 Cb 0.04 0.10 -0.14 0.00 -1.10 0.00 0.00 41.96 40.86 3fye s TYR 486 CO -0.11 -0.44 0.93 -2.30 -2.51 0.00 0.00 175.55 171.13 3fye n PRO 487 N 1.00 1.14 -0.32 -3.49 -0.02 -1.26 -4.54 135.00 127.51 3fye n PRO 487 Ca -0.20 0.40 0.21 0.00 -2.02 0.00 0.00 63.50 61.89 3fye n PRO 487 Cb 0.57 -1.72 0.42 0.00 -0.02 0.00 0.00 33.50 32.75 3fye n PRO 487 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3fye h GLU 488 N 1.81 0.25 -0.02 -0.52 4.81 -2.01 -1.07 114.58 117.83 3fye h GLU 488 Ca -0.38 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.84 3fye h GLU 488 Cb 1.36 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 3fye h GLU 488 CO 0.60 0.16 0.15 0.00 -0.73 0.00 0.00 179.01 179.19 3fye h ALA 489 N 1.85 1.23 -0.09 2.92 0.00 -2.05 -1.02 119.26 122.09 3fye h ALA 489 Ca 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 3fye h ALA 489 Cb 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.32 3fye h ALA 489 CO -0.65 -0.16 0.00 1.19 0.00 0.00 0.00 179.25 179.63 3fye n PHE 490 N -3.10 0.11 -0.05 0.00 3.72 -0.40 -4.47 117.46 113.27 3fye n PHE 490 Ca -0.02 -0.06 -0.09 0.00 -0.05 0.00 0.00 57.45 57.23 3fye n PHE 490 Cb 0.22 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.73 3fye n PHE 490 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fye h ALA 491 N 4.04 0.25 0.28 4.37 0.00 -1.35 -3.00 119.26 123.85 3fye h ALA 491 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3fye h ALA 491 Cb 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3fye h ALA 491 CO 0.00 -0.30 -0.33 1.15 0.00 0.00 0.00 179.25 179.77 3fye h THR 492 N 0.23 0.31 0.00 0.00 2.02 -1.83 -1.36 112.91 112.29 3fye h THR 492 Ca 0.08 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.14 3fye h THR 492 Cb 0.01 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3fye h THR 492 CO -0.05 0.00 -0.58 -0.50 0.37 0.00 0.00 175.52 174.75 3fye h TRP 493 N -0.66 0.00 -0.83 3.16 -0.00 -1.91 -1.92 115.95 113.80 3fye h TRP 493 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 3fye h TRP 493 Cb 0.61 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.74 3fye h TRP 493 CO -0.22 0.58 0.47 -0.91 -0.00 0.00 0.00 178.44 178.37 3fye h ASN 494 N 0.00 1.02 -0.18 -3.49 2.35 -1.40 -0.24 115.58 113.64 3fye h ASN 494 Ca -0.01 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3fye h ASN 494 Cb 1.10 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.20 3fye h ASN 494 CO 0.08 0.81 0.05 0.15 -1.65 0.00 0.00 177.43 176.87 3fye h PHE 495 N 1.14 0.29 -0.28 1.19 3.57 -0.84 -0.68 116.94 121.34 3fye h PHE 495 Ca 0.29 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 3fye h PHE 495 Cb 0.00 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3fye h PHE 495 CO 0.00 0.39 0.17 0.28 -2.23 0.00 0.00 178.31 176.92 3fye h VAL 496 N 0.11 1.10 -0.54 1.41 2.07 -1.30 -1.59 116.25 117.50 3fye h VAL 496 Ca 0.06 -0.24 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3fye h VAL 496 Cb 0.24 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3fye h VAL 496 CO -0.00 0.10 0.13 -1.28 0.02 0.00 0.00 177.57 176.54 3fye h SER 497 N 0.35 0.04 -0.73 0.57 0.87 -0.91 -1.12 113.55 112.62 3fye h SER 497 Ca 0.10 0.09 -0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3fye h SER 497 Cb 0.01 0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3fye h SER 497 CO -0.02 0.04 0.20 0.28 -0.53 0.00 0.00 176.83 176.80 3fye h SER 498 N 0.27 1.09 -0.78 6.23 0.02 -0.83 -1.58 113.55 117.96 3fye h SER 498 Ca 0.28 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3fye h SER 498 Cb 0.38 -0.29 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 3fye h SER 498 CO -0.34 1.02 0.43 -0.07 -1.14 0.00 0.00 176.83 176.73 3fye h LEU 499 N 1.10 0.97 -0.67 5.07 3.38 -0.79 -1.54 115.31 122.82 3fye h LEU 499 Ca 0.23 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.18 3fye h LEU 499 Cb 0.35 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 3fye h LEU 499 CO -0.00 0.79 0.35 1.23 0.09 0.00 0.00 178.44 180.90 3fye h GLY 500 N 1.08 0.98 1.57 0.83 0.00 -0.87 -1.86 103.07 104.79 3fye h GLY 500 Ca 0.27 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 3fye h GLY 500 CO -0.04 0.11 -0.05 0.00 0.00 0.00 0.00 176.54 176.56 3fye h ALA 501 N 1.37 1.30 -0.18 3.60 0.00 -0.86 0.36 119.26 124.86 3fye h ALA 501 Ca 0.31 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 3fye h ALA 501 Cb 0.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3fye h ALA 501 CO -0.21 0.47 -0.64 0.74 0.00 0.00 0.00 179.25 179.60 3fye h PHE 502 N 0.50 0.86 -0.32 0.00 0.04 -0.87 -0.85 116.94 116.30 3fye h PHE 502 Ca 0.10 -0.34 -0.05 0.00 2.80 0.00 0.00 57.97 60.48 3fye h PHE 502 Cb 0.40 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 3fye h PHE 502 CO 0.01 1.13 0.00 1.25 -0.60 0.00 0.00 178.31 180.10 3fye h LEU 503 N 0.49 0.55 -0.70 1.54 5.85 -1.09 -1.42 115.31 120.53 3fye h LEU 503 Ca -0.01 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.45 3fye h LEU 503 Cb 1.23 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 3fye h LEU 503 CO 0.13 0.73 0.40 0.28 -0.34 0.00 0.00 178.44 179.64 3fye h SER 504 N 0.37 0.62 0.19 1.25 0.02 -0.86 -1.20 113.55 113.94 3fye h SER 504 Ca 0.09 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3fye h SER 504 Cb 0.44 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3fye h SER 504 CO 0.02 0.40 -0.14 0.15 -1.14 0.00 0.00 176.83 176.12 3fye h PHE 505 N 0.75 -0.36 -0.81 3.45 3.57 -1.00 -0.86 116.94 121.67 3fye h PHE 505 Ca 0.31 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.00 3fye h PHE 505 Cb 0.16 0.13 -0.13 0.00 2.79 0.00 0.00 35.95 38.90 3fye h PHE 505 CO -0.07 -0.22 0.16 0.00 -2.23 0.00 0.00 178.31 175.95 3fye h ALA 506 N 0.45 1.06 -0.25 2.41 0.00 -1.13 -0.55 119.26 121.25 3fye h ALA 506 Ca -0.01 0.22 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3fye h ALA 506 Cb 0.29 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3fye h ALA 506 CO -0.00 -0.42 -0.11 0.66 0.00 0.00 0.00 179.25 179.38 3fye h SER 507 N 0.20 0.40 -0.12 0.00 4.64 -0.51 -1.37 113.55 116.78 3fye h SER 507 Ca 0.48 -0.09 -0.23 0.00 -0.47 0.00 0.00 61.79 61.48 3fye h SER 507 Cb 0.90 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 62.90 3fye h SER 507 CO -0.62 0.54 -0.81 0.15 -0.87 0.00 0.00 176.83 175.21 3fye h PHE 508 N 0.39 1.06 -0.77 4.77 3.57 -0.17 -0.73 116.94 125.06 3fye h PHE 508 Ca 0.08 -0.49 -0.02 0.00 3.53 0.00 0.00 57.97 61.07 3fye h PHE 508 Cb 0.43 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 3fye h PHE 508 CO 0.01 1.32 0.41 -0.07 -2.23 0.00 0.00 178.31 177.75 3fye h LEU 509 N 0.49 0.96 -0.02 0.59 3.38 -0.98 -1.24 115.31 118.49 3fye h LEU 509 Ca -0.07 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3fye h LEU 509 Cb 1.45 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3fye h LEU 509 CO 0.17 0.78 0.01 0.15 0.09 0.00 0.00 178.44 179.63 3fye h PHE 510 N 1.07 0.04 -0.69 1.13 3.57 -1.20 -1.73 116.94 119.12 3fye h PHE 510 Ca 0.27 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.92 3fye h PHE 510 Cb 0.04 -0.01 -0.12 0.00 2.79 0.00 0.00 35.95 38.65 3fye h PHE 510 CO 0.01 0.17 -0.04 0.35 -2.23 0.00 0.00 178.31 176.57 3fye h PHE 511 N -0.11 -0.13 -0.75 0.41 3.57 -0.89 0.17 116.94 119.22 3fye h PHE 511 Ca 0.01 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3fye h PHE 511 Cb 0.15 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3fye h PHE 511 CO -0.03 -0.23 0.30 -0.07 -2.23 0.00 0.00 178.31 176.05 3fye h LEU 512 N 0.08 1.02 -0.41 0.59 3.38 -1.04 0.63 115.31 119.55 3fye h LEU 512 Ca 0.36 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.24 3fye h LEU 512 Cb 0.61 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3fye h LEU 512 CO -0.63 0.90 0.12 1.23 0.09 0.00 0.00 178.44 180.15 3fye h GLY 513 N 1.12 0.52 0.94 0.83 0.00 -0.30 -0.95 103.07 105.24 3fye h GLY 513 Ca 0.25 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.54 3fye h GLY 513 CO -0.02 -0.01 0.47 -2.08 0.00 0.00 0.00 176.54 174.90 3fye h VAL 514 N 0.27 1.15 -0.41 4.60 2.07 0.36 0.34 116.25 124.62 3fye h VAL 514 Ca 0.20 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 3fye h VAL 514 Cb 0.21 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3fye h VAL 514 CO -0.23 0.17 -0.15 0.40 0.02 0.00 0.00 177.57 177.78 3fye h ILE 515 N 0.94 1.28 -0.00 4.57 1.08 -0.72 0.67 117.51 125.32 3fye h ILE 515 Ca 0.28 -1.28 -0.00 0.00 -0.39 0.00 0.00 64.86 63.47 3fye h ILE 515 Cb -0.05 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3fye h ILE 515 CO -0.08 0.43 0.00 0.15 -0.69 0.00 0.00 178.15 177.96 3fye h PHE 516 N 0.65 0.00 -0.14 1.37 3.57 -0.84 -1.07 116.94 120.48 3fye h PHE 516 Ca 0.10 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.65 3fye h PHE 516 Cb 0.70 -0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.38 3fye h PHE 516 CO 0.05 0.11 -0.30 -0.92 -2.23 0.00 0.00 178.31 175.03 3fye h TYR 517 N -0.11 -0.82 -0.46 0.41 3.20 -0.87 -1.82 116.97 116.49 3fye h TYR 517 Ca 0.00 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.98 3fye h TYR 517 Cb 0.11 0.38 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 3fye h TYR 517 CO -0.04 -0.38 0.13 1.15 -1.64 0.00 0.00 178.16 177.38 3fye h THR 518 N -0.37 0.80 0.00 1.81 2.02 -0.64 0.16 112.91 116.69 3fye h THR 518 Ca 0.10 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3fye h THR 518 Cb 0.52 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3fye h THR 518 CO -0.35 0.05 -0.32 -0.07 0.37 0.00 0.00 175.52 175.20 3fye h LEU 519 N 0.28 0.00 0.03 2.58 3.38 -1.05 -1.50 115.31 119.03 3fye h LEU 519 Ca 0.22 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.82 3fye h LEU 519 Cb 0.26 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3fye h LEU 519 CO -0.26 0.32 -2.28 0.35 0.09 0.00 0.00 178.44 176.66 3fye n THR 520 N -3.27 1.55 -2.05 0.22 -2.24 -0.70 -4.79 114.28 103.00 3fye n THR 520 Ca 0.02 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3fye n THR 520 Cb 0.59 -1.28 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 3fye n THR 520 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3fye n ARG 521 N -3.19 0.00 -1.92 -0.78 1.85 0.50 -5.09 116.66 108.02 3fye n ARG 521 Ca -0.38 -0.92 -0.34 0.00 -1.00 0.00 0.00 57.85 55.22 3fye n ARG 521 Cb 1.04 -0.34 0.03 0.00 -1.05 0.00 0.00 32.46 32.15 3fye n ARG 521 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 3fye s GLY 522 N -0.92 2.34 0.16 2.89 0.00 -0.56 -4.91 107.32 106.32 3fye s GLY 522 Ca 0.03 0.67 -0.34 0.00 0.00 0.00 0.00 44.72 45.09 3fye s GLY 522 CO -0.02 1.03 1.32 0.00 0.00 0.00 0.00 173.10 175.44 3fye n ALA 523 N -2.03 -0.12 -1.76 3.20 0.00 -1.23 -4.51 120.51 114.05 3fye n ALA 523 Ca 0.11 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 3fye n ALA 523 Cb 0.51 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 3fye n ALA 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3fye s ARG 524 N 0.05 4.14 0.02 0.00 3.52 -1.26 -0.44 118.95 124.97 3fye s ARG 524 Ca 0.76 2.57 -0.27 0.00 -0.13 0.00 0.00 55.73 58.66 3fye s ARG 524 Cb -0.81 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 3fye s ARG 524 CO 0.48 -0.69 0.85 0.08 -0.81 0.00 0.00 175.30 175.21 3fye s VAL 525 N 0.76 4.79 -0.02 7.11 1.01 0.79 -4.81 120.40 130.02 3fye s VAL 525 Ca 0.70 1.80 0.05 0.00 0.00 0.00 0.00 61.98 64.53 3fye s VAL 525 Cb -0.48 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.62 3fye s VAL 525 CO 0.37 0.27 0.09 0.35 0.00 0.00 0.00 175.10 176.19 3fye n THR 526 N 3.31 0.07 -3.75 3.92 -2.24 -1.26 -4.89 114.28 109.43 3fye n THR 526 Ca 0.01 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 3fye n THR 526 Cb 0.50 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.80 3fye n THR 526 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fye s ALA 527 N -2.29 3.86 0.12 6.98 0.00 -1.26 -4.93 121.76 124.23 3fye s ALA 527 Ca -0.02 -0.63 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 3fye s ALA 527 Cb 0.03 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3fye s ALA 527 CO 0.20 0.70 1.69 -0.91 0.00 0.00 0.00 175.76 177.44 3fye h ASN 528 N 3.23 0.41 -3.80 0.00 4.21 -1.86 -3.38 115.58 114.38 3fye h ASN 528 Ca -0.47 -0.13 -0.66 0.00 1.21 0.00 0.00 56.30 56.25 3fye h ASN 528 Cb 1.17 -0.11 -0.39 0.00 -1.12 0.00 0.00 38.32 37.87 3fye h ASN 528 CO 0.71 0.43 -0.67 0.21 -1.29 0.00 0.00 177.43 176.82 3fye s ASN 529 N -5.68 4.76 0.00 5.81 3.84 -1.22 -4.61 114.94 117.84 3fye s ASN 529 Ca -0.13 -2.32 0.17 0.00 0.21 0.00 0.00 52.86 50.78 3fye s ASN 529 Cb 0.09 -1.66 0.54 0.00 -0.55 0.00 0.00 41.25 39.66 3fye s ASN 529 CO 0.73 -0.37 1.41 0.00 -2.79 0.00 0.00 177.10 176.08 3fye n TYR 530 N 4.06 0.38 0.00 0.43 4.11 -1.26 -4.62 117.16 120.26 3fye n TYR 530 Ca 0.04 -0.19 0.00 0.00 -0.00 0.00 0.00 57.90 57.75 3fye n TYR 530 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.74 3fye n TYR 530 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.86 177.77 3fye n TRP 531 N 0.54 0.00 -3.86 -3.48 5.03 -1.26 -5.10 117.44 109.31 3fye n TRP 531 Ca 0.15 0.00 -0.07 0.00 3.03 0.00 0.00 57.50 60.61 3fye n TRP 531 Cb 0.34 0.00 -0.02 0.00 -1.03 0.00 0.00 31.31 30.61 3fye n TRP 531 CO 0.00 0.00 0.00 0.54 -0.03 0.00 0.00 177.69 178.20 3fye s ASN 532 N -1.00 -0.24 0.60 -0.99 2.20 -1.26 -5.05 114.94 109.20 3fye s ASN 532 Ca 0.00 -0.64 0.30 0.00 -0.94 0.00 0.00 52.86 51.58 3fye s ASN 532 Cb 0.00 0.73 1.73 0.00 -2.00 0.00 0.00 41.25 41.71 3fye s ASN 532 CO 0.00 -1.37 2.12 1.05 -2.94 0.00 0.00 177.10 175.97 3fye h GLU 533 N 2.00 0.00 0.00 3.55 4.11 -1.95 -1.43 114.58 120.86 3fye h GLU 533 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3fye h GLU 533 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3fye h GLU 533 CO 0.24 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.04 3fye n HIS 534 N -3.69 0.00 -2.75 2.06 8.25 -1.26 -3.93 115.22 113.89 3fye n HIS 534 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3fye n HIS 534 Cb 0.29 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.00 3fye n HIS 534 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fye s ALA 535 N -2.74 3.03 -0.12 -1.41 0.00 -0.54 -4.24 121.76 115.73 3fye s ALA 535 Ca 0.20 -2.20 0.17 0.00 0.00 0.00 0.00 51.96 50.12 3fye s ALA 535 Cb 0.17 -4.17 0.27 0.00 0.00 0.00 0.00 23.12 19.39 3fye s ALA 535 CO 0.43 -3.16 1.15 -0.40 0.00 0.00 0.00 175.76 173.77 3fye n ASP 536 N 7.90 2.39 -4.98 0.00 5.68 -1.25 -4.84 116.55 121.44 3fye n ASP 536 Ca 0.17 -2.97 -0.20 0.00 -0.50 0.00 0.00 54.79 51.30 3fye n ASP 536 Cb 0.49 -0.39 0.02 0.00 -1.14 0.00 0.00 41.12 40.10 3fye n ASP 536 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3fye s THR 537 N -2.67 3.27 0.50 2.12 -4.23 -1.26 -5.02 115.64 108.35 3fye s THR 537 Ca 0.29 -0.80 0.22 0.00 -1.18 0.00 0.00 61.69 60.22 3fye s THR 537 Cb 0.25 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 71.21 3fye s THR 537 CO 0.03 -0.09 2.12 -0.07 -0.54 0.00 0.00 174.62 176.08 3fye h LEU 538 N 0.45 0.00 -1.72 4.79 3.38 -1.83 -2.67 115.31 117.72 3fye h LEU 538 Ca -0.43 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.50 3fye h LEU 538 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3fye h LEU 538 CO 0.51 0.07 -0.18 1.05 0.09 0.00 0.00 178.44 179.98 3fye h GLU 539 N 0.00 0.00 0.00 1.13 9.09 -1.95 -1.01 114.58 121.84 3fye h GLU 539 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3fye h GLU 539 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 3fye h GLU 539 CO 0.01 0.18 0.00 0.91 0.05 0.00 0.00 179.01 180.16 3fye n TRP 540 N -3.88 0.00 1.04 2.06 7.02 -1.01 -2.28 117.44 120.39 3fye n TRP 540 Ca -0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.58 3fye n TRP 540 Cb 0.27 -0.18 0.09 0.00 -2.42 0.00 0.00 31.31 29.07 3fye n TRP 540 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 3fye n THR 541 N -1.18 0.00 -3.50 -0.99 -2.24 -0.38 -3.44 114.28 102.54 3fye n THR 541 Ca 0.16 -0.37 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 3fye n THR 541 Cb 0.17 1.30 -0.03 0.00 -2.10 0.00 0.00 70.33 69.68 3fye n THR 541 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3fye s LEU 542 N -2.22 3.45 1.05 3.22 1.43 -0.97 -5.04 118.68 119.59 3fye s LEU 542 Ca 0.24 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 3fye s LEU 542 Cb 0.19 -2.15 0.21 0.00 0.03 0.00 0.00 46.19 44.47 3fye s LEU 542 CO 0.43 -0.65 1.11 0.42 0.23 0.00 0.00 176.35 177.89 3fye s THR 543 N -2.44 1.89 -0.29 5.49 -4.23 -1.26 -4.41 115.64 110.39 3fye s THR 543 Ca 0.49 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 3fye s THR 543 Cb -0.04 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.32 3fye s THR 543 CO 0.28 0.00 -0.02 -0.44 -0.54 0.00 0.00 174.62 173.90 3fye s SER 544 N -3.73 4.38 0.82 3.99 0.01 -1.26 -1.79 113.70 116.12 3fye s SER 544 Ca 0.67 -1.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.19 3fye s SER 544 Cb -0.15 -1.43 0.09 0.00 0.21 0.00 0.00 66.02 64.73 3fye s SER 544 CO 0.56 -0.29 1.09 -2.16 0.41 0.00 0.00 173.24 172.86 3fye s PRO 545 N 1.14 1.86 0.85 12.44 0.04 -1.24 -4.25 135.00 145.85 3fye s PRO 545 Ca 0.00 0.95 -0.10 0.00 0.04 0.00 0.00 61.00 61.89 3fye s PRO 545 Cb -0.19 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.58 3fye s PRO 545 CO -0.08 -1.86 1.12 -2.14 0.04 0.00 0.00 177.00 174.08 3fye s PRO 546 N -4.96 1.60 0.58 0.56 0.02 -0.74 -4.96 135.00 127.11 3fye s PRO 546 Ca 0.62 1.35 -0.19 0.00 0.02 0.00 0.00 61.00 62.80 3fye s PRO 546 Cb -0.17 -1.81 -0.06 0.00 0.02 0.00 0.00 34.50 32.48 3fye s PRO 546 CO 0.56 -2.16 0.93 -2.30 -0.33 0.00 0.00 177.00 173.69 3fye n PRO 547 N -3.90 0.91 -0.30 5.54 -0.02 -1.26 -4.91 135.00 131.06 3fye n PRO 547 Ca 0.10 0.35 -0.11 0.00 -2.02 0.00 0.00 63.50 61.83 3fye n PRO 547 Cb 0.53 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.82 3fye n PRO 547 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3fye h GLU 548 N 0.58 -0.14 -4.52 -0.52 4.81 -2.03 -3.30 114.58 109.45 3fye h GLU 548 Ca -0.48 0.01 -0.72 0.00 -0.13 0.00 0.00 59.36 58.05 3fye h GLU 548 Cb 1.36 0.03 -0.23 0.00 0.63 0.00 0.00 28.75 30.55 3fye h GLU 548 CO 0.51 -0.10 -0.46 -1.01 -0.73 0.00 0.00 179.01 177.22 3fye s HIS 549 N -5.63 3.25 0.18 0.92 3.76 -1.26 -5.04 115.29 111.46 3fye s HIS 549 Ca -0.13 -0.84 -0.07 0.00 -0.15 0.00 0.00 55.06 53.87 3fye s HIS 549 Cb 0.11 -2.57 -0.06 0.00 1.11 0.00 0.00 32.58 31.17 3fye s HIS 549 CO 0.63 -0.65 0.45 0.95 -0.85 0.00 0.00 174.74 175.27 3fye s THR 550 N 1.60 5.07 0.00 1.30 -4.23 -1.25 -5.16 115.64 112.97 3fye s THR 550 Ca 0.03 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3fye s THR 550 Cb -0.20 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.02 3fye s THR 550 CO 0.08 -0.00 0.00 0.49 -0.54 0.00 0.00 174.62 174.64