#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr1 s ALA 2 N 0.00 3.78 0.65 0.00 0.00 -1.26 -4.94 121.76 120.00 1fr1 s ALA 2 Ca 0.00 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 1fr1 s ALA 2 Cb 0.00 -3.69 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 1fr1 s ALA 2 CO 0.00 -1.00 1.24 0.15 0.00 0.00 0.00 175.76 176.15 1fr1 s LYS 3 N 1.91 2.61 0.11 0.00 -0.14 -1.26 -5.02 119.74 117.94 1fr1 s LYS 3 Ca 0.75 1.88 -0.00 0.00 -1.36 0.00 0.00 55.97 57.23 1fr1 s LYS 3 Cb -0.44 -1.88 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 1fr1 s LYS 3 CO 0.33 -1.51 0.27 0.99 -0.76 0.00 0.00 175.35 174.68 1fr1 s THR 4 N -1.64 5.32 0.34 2.17 2.01 -1.26 -4.95 115.64 117.62 1fr1 s THR 4 Ca 0.78 -0.38 0.11 0.00 0.31 0.00 0.00 61.69 62.51 1fr1 s THR 4 Cb -0.32 -3.66 0.37 0.00 0.01 0.00 0.00 72.50 68.90 1fr1 s THR 4 CO 0.39 0.04 1.59 -0.33 -0.69 0.00 0.00 174.62 175.61 1fr1 h GLU 5 N 2.72 0.04 0.00 4.92 5.08 -1.98 0.47 114.58 125.83 1fr1 h GLU 5 Ca -0.46 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 1fr1 h GLU 5 Cb 1.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1fr1 h GLU 5 CO 0.73 0.02 -0.43 -0.56 -1.00 0.00 0.00 179.01 177.78 1fr1 h GLN 6 N 0.04 0.00 -0.02 2.33 3.07 -1.98 0.17 115.11 118.72 1fr1 h GLN 6 Ca 0.71 0.00 -0.24 0.00 0.09 0.00 0.00 58.65 59.22 1fr1 h GLN 6 Cb 1.70 0.00 0.01 0.00 0.08 0.00 0.00 27.48 29.27 1fr1 h GLN 6 CO -0.82 0.43 -0.95 0.37 0.09 0.00 0.00 178.83 177.94 1fr1 h GLN 7 N 0.00 0.57 -0.35 0.06 -0.00 -0.47 -2.30 115.11 112.62 1fr1 h GLN 7 Ca -0.00 -0.59 -0.10 0.00 -0.00 0.00 0.00 58.65 57.96 1fr1 h GLN 7 Cb 0.82 0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.44 1fr1 h GLN 7 CO 0.06 1.20 -0.19 0.82 0.00 0.00 0.00 178.83 180.72 1fr1 h ILE 8 N 0.34 1.26 -0.65 2.39 2.04 -1.11 -2.56 117.51 119.23 1fr1 h ILE 8 Ca -0.09 -1.24 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 1fr1 h ILE 8 Cb 1.59 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 1fr1 h ILE 8 CO 0.18 0.41 0.21 0.00 0.00 0.00 0.00 178.15 178.95 1fr1 h ALA 9 N 1.20 1.16 -0.02 1.87 0.00 -0.57 -2.50 119.26 120.40 1fr1 h ALA 9 Ca 0.09 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 1fr1 h ALA 9 Cb 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1fr1 h ALA 9 CO 0.05 0.59 -0.89 -0.44 0.00 0.00 0.00 179.25 178.56 1fr1 h ASP 10 N 0.95 0.51 -0.12 0.00 3.32 -1.03 -1.78 116.42 118.27 1fr1 h ASP 10 Ca 0.21 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 1fr1 h ASP 10 Cb 0.25 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1fr1 h ASP 10 CO -0.01 1.18 0.00 0.40 -1.72 0.00 0.00 179.24 179.09 1fr1 h ILE 11 N 0.24 1.25 0.42 0.35 2.04 -1.44 -1.30 117.51 119.07 1fr1 h ILE 11 Ca -0.07 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1fr1 h ILE 11 Cb 1.51 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.13 1fr1 h ILE 11 CO 0.15 0.23 -0.20 0.58 0.00 0.00 0.00 178.15 178.91 1fr1 h VAL 12 N -0.04 0.57 -0.72 1.67 2.07 -1.50 -2.40 116.25 115.90 1fr1 h VAL 12 Ca 0.04 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1fr1 h VAL 12 Cb 0.35 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1fr1 h VAL 12 CO 0.01 0.05 0.42 0.78 0.02 0.00 0.00 177.57 178.85 1fr1 h ASN 13 N -0.74 0.63 -0.25 0.57 4.21 -1.40 -0.10 115.58 118.50 1fr1 h ASN 13 Ca -0.06 0.03 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 1fr1 h ASN 13 Cb 0.52 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 1fr1 h ASN 13 CO 0.09 0.41 0.05 0.03 -1.29 0.00 0.00 177.43 176.72 1fr1 h ARG 14 N 0.76 0.51 0.00 0.81 2.47 -1.21 -1.98 114.38 115.74 1fr1 h ARG 14 Ca 0.32 -0.09 -0.09 0.00 -1.26 0.00 0.00 59.98 58.85 1fr1 h ARG 14 Cb 0.18 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1fr1 h ARG 14 CO -0.18 0.50 -0.54 1.15 0.56 0.00 0.00 179.97 181.46 1fr1 h THR 15 N 0.50 1.24 -0.26 2.04 2.02 -0.87 -3.40 112.91 114.17 1fr1 h THR 15 Ca 0.11 -2.13 -0.09 0.00 0.77 0.00 0.00 66.41 65.08 1fr1 h THR 15 Cb 0.25 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1fr1 h THR 15 CO 0.00 0.42 -0.17 0.40 0.37 0.00 0.00 175.52 176.54 1fr1 h ILE 16 N -1.00 1.30 -0.41 3.11 1.08 -1.10 -3.11 117.51 117.39 1fr1 h ILE 16 Ca -0.14 -1.29 0.07 0.00 -0.39 0.00 0.00 64.86 63.11 1fr1 h ILE 16 Cb 1.04 1.57 -0.09 0.00 -3.07 0.00 0.00 36.82 36.27 1fr1 h ILE 16 CO -0.09 0.41 -0.41 0.74 -0.69 0.00 0.00 178.15 178.11 1fr1 h THR 17 N 0.31 0.13 -0.63 -0.27 2.02 -1.57 0.86 112.91 113.76 1fr1 h THR 17 Ca 0.05 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.27 1fr1 h THR 17 Cb 0.70 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 1fr1 h THR 17 CO 0.05 0.00 0.38 -0.65 0.37 0.00 0.00 175.52 175.67 1fr1 h PRO 18 N -0.31 0.71 0.35 6.66 0.11 -1.78 -3.00 132.00 134.74 1fr1 h PRO 18 Ca 0.15 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1fr1 h PRO 18 Cb 0.58 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1fr1 h PRO 18 CO -0.57 0.47 -0.41 1.25 -0.21 0.00 0.00 178.00 178.53 1fr1 h LEU 19 N 0.73 -1.14 -1.31 2.35 6.46 -1.07 -1.15 115.31 120.18 1fr1 h LEU 19 Ca 0.26 0.10 0.24 0.00 -0.12 0.00 0.00 57.88 58.37 1fr1 h LEU 19 Cb 0.06 0.39 -0.09 0.00 -0.73 0.00 0.00 40.66 40.29 1fr1 h LEU 19 CO -0.12 -0.55 0.65 0.24 -0.62 0.00 0.00 178.44 178.04 1fr1 h MET 20 N -0.80 0.45 0.11 1.25 2.86 -0.86 0.76 114.93 118.70 1fr1 h MET 20 Ca -0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1fr1 h MET 20 Cb 0.73 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1fr1 h MET 20 CO -0.10 0.30 -0.05 1.96 1.06 0.00 0.00 176.91 180.07 1fr1 h GLN 21 N 0.46 -0.14 -0.30 1.72 1.08 -1.35 0.20 115.11 116.77 1fr1 h GLN 21 Ca 0.58 0.01 -0.18 0.00 -1.45 0.00 0.00 58.65 57.61 1fr1 h GLN 21 Cb 1.35 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.81 1fr1 h GLN 21 CO -0.30 0.34 -0.52 1.05 -0.95 0.00 0.00 178.83 178.45 1fr1 h GLU 22 N -0.75 0.86 0.00 1.46 4.11 -0.72 -3.09 114.58 116.45 1fr1 h GLU 22 Ca -0.02 -0.53 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1fr1 h GLU 22 Cb 0.55 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1fr1 h GLU 22 CO 0.03 1.17 -0.44 1.04 0.07 0.00 0.00 179.01 180.88 1fr1 n GLN 23 N -4.01 0.20 -3.29 1.06 1.13 0.22 -4.97 117.38 107.71 1fr1 n GLN 23 Ca -0.04 0.08 -0.16 0.00 -1.94 0.00 0.00 57.00 54.94 1fr1 n GLN 23 Cb 0.61 -1.65 0.06 0.00 0.11 0.00 0.00 30.24 29.38 1fr1 n GLN 23 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fr1 n ALA 24 N -1.72 -2.50 -2.67 -1.58 0.00 -0.01 -4.99 120.51 107.04 1fr1 n ALA 24 Ca 0.04 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.20 1fr1 n ALA 24 Cb 0.41 -5.48 -0.08 0.00 0.00 0.00 0.00 19.45 14.30 1fr1 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1fr1 s ILE 25 N -3.38 5.22 0.15 0.00 1.01 0.49 -4.98 121.20 119.70 1fr1 s ILE 25 Ca 0.44 0.63 -0.17 0.00 0.00 0.00 0.00 60.65 61.56 1fr1 s ILE 25 Cb -0.07 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.71 1fr1 s ILE 25 CO 0.75 0.26 1.80 -0.65 0.00 0.00 0.00 174.94 177.10 1fr1 h PRO 26 N 7.43 0.45 -3.02 2.79 0.11 -1.87 -3.46 132.00 134.43 1fr1 h PRO 26 Ca -0.36 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.62 1fr1 h PRO 26 Cb 1.16 -0.10 -0.19 0.00 0.11 0.00 0.00 31.00 31.98 1fr1 h PRO 26 CO 0.71 0.30 -0.23 0.20 -0.21 0.00 0.00 178.00 178.77 1fr1 s GLY 27 N -2.56 -0.18 0.06 -0.55 0.00 -1.23 -1.75 107.32 101.11 1fr1 s GLY 27 Ca -0.13 0.32 -0.05 0.00 0.00 0.00 0.00 44.72 44.86 1fr1 s GLY 27 CO 0.72 0.10 0.09 -0.29 0.00 0.00 0.00 173.10 173.72 1fr1 s MET 28 N -1.64 0.69 -0.10 2.90 1.75 0.23 -2.63 119.30 120.51 1fr1 s MET 28 Ca -0.11 -0.97 -0.04 0.00 -1.25 0.00 0.00 55.69 53.31 1fr1 s MET 28 Cb -0.04 0.27 0.05 0.00 2.84 0.00 0.00 34.83 37.95 1fr1 s MET 28 CO 0.03 -0.18 0.21 0.00 -0.65 0.00 0.00 175.02 174.43 1fr1 s ALA 29 N -3.49 -0.44 -0.01 4.11 0.00 -0.48 -1.09 121.76 120.35 1fr1 s ALA 29 Ca 0.03 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1fr1 s ALA 29 Cb 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 1fr1 s ALA 29 CO -0.09 -0.33 -0.10 0.08 0.00 0.00 0.00 175.76 175.32 1fr1 s VAL 30 N 1.63 0.79 -0.06 0.00 1.01 -0.36 -0.47 120.40 122.95 1fr1 s VAL 30 Ca -0.05 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.55 1fr1 s VAL 30 Cb -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.60 1fr1 s VAL 30 CO -0.08 0.23 -0.17 0.00 0.00 0.00 0.00 175.10 175.08 1fr1 s ALA 31 N -0.15 1.56 -0.11 5.51 0.00 -0.53 -0.63 121.76 127.40 1fr1 s ALA 31 Ca 0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1fr1 s ALA 31 Cb -0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.49 1fr1 s ALA 31 CO -0.00 0.24 -0.11 0.42 0.00 0.00 0.00 175.76 176.32 1fr1 s ILE 32 N 0.22 3.32 -0.32 0.00 1.09 -0.48 -0.97 121.20 124.06 1fr1 s ILE 32 Ca -0.08 -0.59 -0.04 0.00 -1.10 0.00 0.00 60.65 58.84 1fr1 s ILE 32 Cb -0.13 -2.38 0.05 0.00 -1.06 0.00 0.00 42.46 38.93 1fr1 s ILE 32 CO 0.03 0.54 0.05 -0.63 -0.10 0.00 0.00 174.94 174.83 1fr1 s ILE 33 N -0.02 3.32 -0.24 2.92 1.01 -0.60 -0.43 121.20 127.15 1fr1 s ILE 33 Ca -0.02 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.34 1fr1 s ILE 33 Cb -0.14 -2.90 0.06 0.00 0.01 0.00 0.00 42.46 39.49 1fr1 s ILE 33 CO 0.04 -0.15 -0.04 -0.47 0.00 0.00 0.00 174.94 174.32 1fr1 s TYR 34 N 1.31 2.28 -1.37 3.97 5.04 -0.74 -1.46 117.35 126.38 1fr1 s TYR 34 Ca -0.04 -1.71 -0.09 0.00 -2.44 0.00 0.00 57.07 52.79 1fr1 s TYR 34 Cb -0.20 -1.57 0.02 0.00 0.35 0.00 0.00 41.96 40.56 1fr1 s TYR 34 CO 0.00 -0.77 1.17 1.04 -1.34 0.00 0.00 175.55 175.65 1fr1 n GLN 35 N 4.70 -7.73 -0.97 4.97 6.02 -0.92 -2.05 117.38 121.40 1fr1 n GLN 35 Ca -0.11 0.81 0.00 0.00 -0.01 0.00 0.00 57.00 57.69 1fr1 n GLN 35 Cb 0.44 -5.85 0.00 0.00 1.02 0.00 0.00 30.24 25.85 1fr1 n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fr1 n GLY 36 N -1.97 0.71 3.36 1.08 0.00 -0.94 -5.02 105.19 102.41 1fr1 n GLY 36 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1fr1 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr1 s LYS 37 N -0.14 3.40 0.14 1.61 1.02 -0.87 -5.06 119.74 119.84 1fr1 s LYS 37 Ca 0.00 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 1fr1 s LYS 37 Cb 0.00 -2.76 -0.07 0.00 -0.52 0.00 0.00 37.83 34.48 1fr1 s LYS 37 CO 0.00 0.09 0.97 -1.25 -0.92 0.00 0.00 175.35 174.24 1fr1 s PRO 38 N 0.69 4.73 -0.18 -1.68 0.04 -1.26 -1.79 135.00 135.55 1fr1 s PRO 38 Ca -0.05 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1fr1 s PRO 38 Cb -0.15 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.08 1fr1 s PRO 38 CO 0.02 0.27 -0.10 0.71 0.04 0.00 0.00 177.00 177.94 1fr1 s TYR 39 N -0.27 2.19 0.10 0.56 2.02 0.42 -4.99 117.35 117.38 1fr1 s TYR 39 Ca 0.46 -1.38 0.02 0.00 -0.37 0.00 0.00 57.07 55.80 1fr1 s TYR 39 Cb -0.24 -1.55 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 1fr1 s TYR 39 CO 0.31 -0.69 0.17 0.71 -1.57 0.00 0.00 175.55 174.47 1fr1 s TYR 40 N 1.47 3.35 -0.09 2.71 1.51 -1.26 -1.38 117.35 123.67 1fr1 s TYR 40 Ca 0.01 0.13 -0.08 0.00 -1.01 0.00 0.00 57.07 56.11 1fr1 s TYR 40 Cb -0.15 -1.66 0.02 0.00 -0.11 0.00 0.00 41.96 40.06 1fr1 s TYR 40 CO -0.09 0.54 0.24 -0.06 -1.11 0.00 0.00 175.55 175.08 1fr1 s PHE 41 N -1.55 -0.26 -0.01 2.71 0.40 0.19 -5.00 117.98 114.47 1fr1 s PHE 41 Ca 0.32 0.63 0.01 0.00 -0.60 0.00 0.00 56.93 57.29 1fr1 s PHE 41 Cb -0.12 0.09 0.00 0.00 0.51 0.00 0.00 43.02 43.50 1fr1 s PHE 41 CO 0.25 -0.13 -0.03 0.95 0.70 0.00 0.00 175.22 176.97 1fr1 s THR 42 N 0.10 0.26 0.01 0.64 -4.23 -1.26 -1.22 115.64 109.94 1fr1 s THR 42 Ca -0.00 -0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1fr1 s THR 42 Cb -0.02 -0.25 -0.01 0.00 1.34 0.00 0.00 72.50 73.56 1fr1 s THR 42 CO 0.00 0.10 0.02 0.26 -0.54 0.00 0.00 174.62 174.46 1fr1 s TRP 43 N 0.17 0.12 0.00 3.99 0.51 -0.25 -5.00 118.94 118.48 1fr1 s TRP 43 Ca -0.01 -0.24 0.00 0.00 -2.12 0.00 0.00 56.10 53.72 1fr1 s TRP 43 Cb -0.04 -0.10 0.00 0.00 -0.81 0.00 0.00 33.47 32.52 1fr1 s TRP 43 CO -0.00 -0.14 0.00 0.41 -0.51 0.00 0.00 176.95 176.71 1fr1 n GLY 44 N 2.13 -0.62 3.09 0.98 0.00 -1.26 0.75 105.19 110.26 1fr1 n GLY 44 Ca -0.19 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 1fr1 n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fr1 s LYS 45 N 0.00 0.97 0.05 1.61 0.00 -0.72 -1.55 119.74 120.10 1fr1 s LYS 45 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 55.97 55.36 1fr1 s LYS 45 Cb 0.00 -0.94 -0.32 0.00 0.00 0.00 0.00 37.83 36.57 1fr1 s LYS 45 CO 0.00 0.25 1.07 0.00 0.00 0.00 0.00 175.35 176.67 1fr1 h ALA 46 N 5.61 -0.03 -3.06 0.59 0.00 0.12 -3.25 119.26 119.23 1fr1 h ALA 46 Ca -0.34 -0.87 -0.57 0.00 0.00 0.00 0.00 54.91 53.13 1fr1 h ALA 46 Cb 1.17 0.09 -0.40 0.00 0.00 0.00 0.00 17.79 18.65 1fr1 h ALA 46 CO 0.48 0.83 -0.76 0.34 0.00 0.00 0.00 179.25 180.13 1fr1 s ASP 47 N -7.37 3.84 0.20 0.00 3.68 -0.82 -2.17 116.67 114.03 1fr1 s ASP 47 Ca -0.07 -1.50 -0.10 0.00 2.13 0.00 0.00 52.55 53.01 1fr1 s ASP 47 Cb 0.06 -0.72 0.21 0.00 -1.45 0.00 0.00 42.92 41.02 1fr1 s ASP 47 CO 0.92 -0.42 1.80 0.40 0.13 0.00 0.00 175.17 178.00 1fr1 h ILE 48 N 6.47 0.96 0.03 4.11 2.04 -1.84 0.23 117.51 129.51 1fr1 h ILE 48 Ca -0.15 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 1fr1 h ILE 48 Cb 1.02 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 1fr1 h ILE 48 CO 0.46 0.11 -0.02 0.00 0.00 0.00 0.00 178.15 178.70 1fr1 h ALA 49 N 1.33 -0.87 0.00 1.87 0.00 -1.97 -2.95 119.26 116.67 1fr1 h ALA 49 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1fr1 h ALA 49 Cb 0.17 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fr1 h ALA 49 CO -0.18 -0.87 0.00 0.09 0.00 0.00 0.00 179.25 178.30 1fr1 n ASN 50 N -2.27 0.00 -3.72 0.00 3.02 -1.15 -4.89 115.26 106.25 1fr1 n ASN 50 Ca -0.01 -1.13 -0.30 0.00 -0.03 0.00 0.00 54.58 53.11 1fr1 n ASN 50 Cb 0.02 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1fr1 n ASN 50 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1fr1 n ASN 51 N -0.69 -4.39 -4.32 6.41 5.15 0.75 -4.98 115.26 113.18 1fr1 n ASN 51 Ca 0.07 -1.01 -0.33 0.00 -0.60 0.00 0.00 54.58 52.71 1fr1 n ASN 51 Cb 0.03 -3.35 -0.15 0.00 -0.53 0.00 0.00 39.78 35.78 1fr1 n ASN 51 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1fr1 s ARG 52 N -6.07 3.30 0.58 1.20 0.52 -0.79 -4.99 118.95 112.69 1fr1 s ARG 52 Ca 0.39 -0.72 -0.08 0.00 -0.52 0.00 0.00 55.73 54.79 1fr1 s ARG 52 Cb -0.14 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.69 1fr1 s ARG 52 CO 0.86 0.13 0.94 -1.25 0.02 0.00 0.00 175.30 176.00 1fr1 s PRO 53 N 0.54 3.43 0.22 3.54 0.04 -1.26 0.15 135.00 141.65 1fr1 s PRO 53 Ca -0.09 0.45 -0.30 0.00 0.04 0.00 0.00 61.00 61.09 1fr1 s PRO 53 Cb -0.16 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.10 1fr1 s PRO 53 CO 0.04 -0.50 1.14 0.08 0.04 0.00 0.00 177.00 177.79 1fr1 s VAL 54 N -3.02 3.62 0.31 -0.36 1.01 -0.60 -4.23 120.40 117.14 1fr1 s VAL 54 Ca 0.52 1.46 0.04 0.00 0.00 0.00 0.00 61.98 64.00 1fr1 s VAL 54 Cb -0.11 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 1fr1 s VAL 54 CO 0.50 0.28 0.04 -0.89 0.00 0.00 0.00 175.10 175.02 1fr1 s THR 55 N -0.48 1.24 -0.28 3.92 2.01 -1.26 -4.68 115.64 116.10 1fr1 s THR 55 Ca 0.49 -2.01 0.27 0.00 0.31 0.00 0.00 61.69 60.74 1fr1 s THR 55 Cb -0.31 -2.73 0.29 0.00 0.01 0.00 0.00 72.50 69.75 1fr1 s THR 55 CO 0.38 -0.06 1.80 1.56 -0.69 0.00 0.00 174.62 177.61 1fr1 h GLN 56 N 2.15 0.00 -0.00 4.92 4.20 -1.96 -2.70 115.11 121.72 1fr1 h GLN 56 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 1fr1 h GLN 56 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1fr1 h GLN 56 CO 0.69 0.00 -0.86 1.04 -0.67 0.00 0.00 178.83 179.03 1fr1 n GLN 57 N -2.49 0.16 -1.81 1.46 3.00 -1.26 -3.80 117.38 112.64 1fr1 n GLN 57 Ca 0.01 -0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.46 1fr1 n GLN 57 Cb 0.23 -1.50 -0.02 0.00 0.00 0.00 0.00 30.24 28.96 1fr1 n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1fr1 s THR 58 N -2.93 2.16 -0.10 5.09 2.01 -1.02 -4.83 115.64 116.02 1fr1 s THR 58 Ca 0.10 0.13 -0.16 0.00 0.31 0.00 0.00 61.69 62.07 1fr1 s THR 58 Cb 0.17 -3.09 -0.05 0.00 0.01 0.00 0.00 72.50 69.54 1fr1 s THR 58 CO 0.81 0.02 0.42 -0.76 -0.69 0.00 0.00 174.62 174.42 1fr1 s LEU 59 N -0.15 4.31 0.13 4.42 1.43 0.80 -4.00 118.68 125.62 1fr1 s LEU 59 Ca 0.65 0.78 0.11 0.00 -1.03 0.00 0.00 54.13 54.63 1fr1 s LEU 59 Cb -0.47 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.11 1fr1 s LEU 59 CO 0.44 0.10 -0.26 -0.36 0.23 0.00 0.00 176.35 176.50 1fr1 s PHE 60 N 0.21 2.26 -0.18 0.29 0.08 0.79 -2.22 117.98 119.21 1fr1 s PHE 60 Ca 0.23 -0.38 -0.27 0.00 0.12 0.00 0.00 56.93 56.63 1fr1 s PHE 60 Cb -0.15 -1.21 -0.01 0.00 -0.57 0.00 0.00 43.02 41.08 1fr1 s PHE 60 CO 0.09 0.35 0.93 -1.21 -0.10 0.00 0.00 175.22 175.28 1fr1 s GLU 61 N -2.12 4.31 0.07 0.44 2.02 -1.26 -1.45 118.70 120.70 1fr1 s GLU 61 Ca 0.14 1.19 0.28 0.00 0.02 0.00 0.00 54.97 56.61 1fr1 s GLU 61 Cb -0.10 -3.59 1.08 0.00 0.10 0.00 0.00 34.13 31.62 1fr1 s GLU 61 CO 0.06 -0.43 1.87 1.28 0.02 0.00 0.00 175.26 178.06 1fr1 n LEU 62 N 5.55 0.27 0.00 1.80 4.77 -0.99 -4.65 117.00 123.76 1fr1 n LEU 62 Ca 0.08 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1fr1 n LEU 62 Cb 0.48 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1fr1 n LEU 62 CO 0.50 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1fr1 n GLY 63 N 1.44 2.54 0.07 -0.72 0.00 -1.24 -1.14 105.19 106.14 1fr1 n GLY 63 Ca 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.93 1fr1 n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fr1 n SER 64 N 1.01 0.25 0.30 1.61 7.64 -1.25 -1.48 113.62 121.71 1fr1 n SER 64 Ca 0.00 0.61 0.17 0.00 1.01 0.00 0.00 58.87 60.66 1fr1 n SER 64 Cb 0.00 -0.65 0.94 0.00 -1.01 0.00 0.00 64.21 63.49 1fr1 n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1fr1 h VAL 65 N 0.00 0.36 -0.19 0.44 2.07 -1.26 -0.21 116.25 117.46 1fr1 h VAL 65 Ca 0.00 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1fr1 h VAL 65 Cb 0.02 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1fr1 h VAL 65 CO 0.00 0.03 0.37 0.28 0.02 0.00 0.00 177.57 178.27 1fr1 h SER 66 N 0.00 0.00 0.70 0.57 0.02 -1.44 0.22 113.55 113.62 1fr1 h SER 66 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1fr1 h SER 66 Cb 0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1fr1 h SER 66 CO 0.00 0.00 -0.12 0.11 -1.14 0.00 0.00 176.83 175.68 1fr1 h LYS 67 N 0.00 0.00 -0.05 3.45 1.57 -1.18 -2.11 116.57 118.24 1fr1 h LYS 67 Ca 0.09 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.73 1fr1 h LYS 67 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1fr1 h LYS 67 CO -0.00 0.12 -0.61 1.79 -0.57 0.00 0.00 179.45 180.18 1fr1 h THR 68 N 0.00 1.40 -0.36 -0.16 1.35 -0.75 -1.85 112.91 112.53 1fr1 h THR 68 Ca -0.00 -2.00 -0.17 0.00 -0.55 0.00 0.00 66.41 63.69 1fr1 h THR 68 Cb 0.50 2.03 -0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1fr1 h THR 68 CO 0.02 0.59 -0.43 -0.26 -0.25 0.00 0.00 175.52 175.19 1fr1 h PHE 69 N 0.14 1.12 0.47 4.73 0.04 -1.54 -2.43 116.94 119.47 1fr1 h PHE 69 Ca -0.01 -0.35 -0.02 0.00 2.80 0.00 0.00 57.97 60.39 1fr1 h PHE 69 Cb 1.10 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 39.03 1fr1 h PHE 69 CO 0.02 1.18 -0.23 -0.97 -0.60 0.00 0.00 178.31 177.71 1fr1 h ASN 70 N 0.74 -0.54 -0.63 2.17 -0.73 -1.30 -1.04 115.58 114.25 1fr1 h ASN 70 Ca 0.05 0.00 0.10 0.00 1.87 0.00 0.00 56.30 58.32 1fr1 h ASN 70 Cb 1.03 0.14 -0.07 0.00 0.27 0.00 0.00 38.32 39.68 1fr1 h ASN 70 CO 0.10 -0.36 0.25 1.23 -0.37 0.00 0.00 177.43 178.28 1fr1 h GLY 71 N -0.67 0.90 0.95 1.57 0.00 -1.31 -0.94 103.07 103.58 1fr1 h GLY 71 Ca -0.07 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1fr1 h GLY 71 CO 0.11 -0.01 -0.13 -2.08 0.00 0.00 0.00 176.54 174.42 1fr1 h VAL 72 N 0.44 1.28 -0.48 4.60 2.07 -1.27 -0.34 116.25 122.56 1fr1 h VAL 72 Ca 0.32 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1fr1 h VAL 72 Cb 0.39 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1fr1 h VAL 72 CO -0.31 0.40 0.24 0.25 0.02 0.00 0.00 177.57 178.17 1fr1 h LEU 73 N 0.49 0.59 -0.25 2.57 5.85 -0.78 0.15 115.31 123.93 1fr1 h LEU 73 Ca 0.08 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 1fr1 h LEU 73 Cb 0.66 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1fr1 h LEU 73 CO 0.04 0.50 -0.19 1.23 -0.34 0.00 0.00 178.44 179.68 1fr1 h GLY 74 N 0.76 0.63 0.80 3.75 0.00 -1.07 -2.43 103.07 105.50 1fr1 h GLY 74 Ca 0.17 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.91 1fr1 h GLY 74 CO -0.02 0.55 -0.07 -1.33 0.00 0.00 0.00 176.54 175.67 1fr1 h GLY 75 N 0.29 -0.06 0.48 4.60 0.00 0.15 -0.21 103.07 108.33 1fr1 h GLY 75 Ca 0.05 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.53 1fr1 h GLY 75 CO 0.05 -0.08 0.11 -1.80 0.00 0.00 0.00 176.54 174.82 1fr1 h ASP 76 N -0.11 0.05 -0.76 0.19 1.82 -0.76 0.66 116.42 117.51 1fr1 h ASP 76 Ca 0.03 0.07 0.06 0.00 -0.39 0.00 0.00 57.03 56.80 1fr1 h ASP 76 Cb 0.16 0.09 -0.06 0.00 0.68 0.00 0.00 39.33 40.20 1fr1 h ASP 76 CO -0.09 0.06 0.45 0.00 -1.61 0.00 0.00 179.24 178.06 1fr1 h ALA 77 N 1.33 1.02 0.60 -0.78 0.00 -1.01 0.75 119.26 121.17 1fr1 h ALA 77 Ca 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1fr1 h ALA 77 Cb 0.26 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1fr1 h ALA 77 CO -0.27 0.18 -0.29 0.82 0.00 0.00 0.00 179.25 179.69 1fr1 h ILE 78 N 0.84 0.39 -0.98 0.00 2.04 -0.40 -0.86 117.51 118.54 1fr1 h ILE 78 Ca 0.33 -0.08 0.27 0.00 1.00 0.00 0.00 64.86 66.37 1fr1 h ILE 78 Cb 0.15 0.42 -0.13 0.00 -0.74 0.00 0.00 36.82 36.52 1fr1 h ILE 78 CO -0.17 0.01 0.53 0.00 0.00 0.00 0.00 178.15 178.53 1fr1 h ALA 79 N -0.49 1.75 0.00 1.87 0.00 -0.46 0.63 119.26 122.57 1fr1 h ALA 79 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fr1 h ALA 79 Cb 0.64 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1fr1 h ALA 79 CO 0.14 -0.40 0.00 0.54 0.00 0.00 0.00 179.25 179.53 1fr1 n ARG 80 N -4.99 0.20 -0.84 0.00 1.74 0.22 -4.88 116.66 108.10 1fr1 n ARG 80 Ca 0.27 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.69 1fr1 n ARG 80 Cb 0.81 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1fr1 n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fr1 n GLY 81 N 0.45 0.52 0.17 -0.13 0.00 0.22 -4.95 105.19 101.47 1fr1 n GLY 81 Ca 0.03 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.30 1fr1 n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fr1 h GLU 82 N 0.54 0.53 -5.33 1.61 5.08 -1.32 -3.47 114.58 112.23 1fr1 h GLU 82 Ca 0.00 -0.48 -0.45 0.00 -1.00 0.00 0.00 59.36 57.44 1fr1 h GLU 82 Cb 0.00 0.11 -0.14 0.00 0.50 0.00 0.00 28.75 29.22 1fr1 h GLU 82 CO 0.00 1.11 -0.67 0.96 -1.00 0.00 0.00 179.01 179.41 1fr1 s ILE 83 N -3.52 1.39 -0.05 3.13 -4.36 -1.20 -4.89 121.20 111.70 1fr1 s ILE 83 Ca -0.12 -2.08 0.03 0.00 -0.26 0.00 0.00 60.65 58.21 1fr1 s ILE 83 Cb 0.05 -2.40 0.01 0.00 1.25 0.00 0.00 42.46 41.37 1fr1 s ILE 83 CO 0.84 -0.32 -0.12 -0.54 0.24 0.00 0.00 174.94 175.04 1fr1 s LYS 84 N -3.78 1.51 0.46 0.37 1.02 -1.26 -4.39 119.74 113.66 1fr1 s LYS 84 Ca 0.29 -0.43 0.13 0.00 0.02 0.00 0.00 55.97 55.98 1fr1 s LYS 84 Cb 0.05 -1.30 1.06 0.00 -0.52 0.00 0.00 37.83 37.12 1fr1 s LYS 84 CO 0.10 0.10 2.05 -0.07 -0.92 0.00 0.00 175.35 176.61 1fr1 h LEU 85 N 6.64 0.28 -0.42 3.17 3.38 -1.99 -1.57 115.31 124.81 1fr1 h LEU 85 Ca -0.32 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1fr1 h LEU 85 Cb 1.18 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1fr1 h LEU 85 CO 0.48 0.19 0.00 0.77 0.09 0.00 0.00 178.44 179.97 1fr1 h SER 86 N 0.32 0.00 -4.01 -0.43 4.64 -1.96 -0.56 113.55 111.55 1fr1 h SER 86 Ca 0.17 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.95 1fr1 h SER 86 Cb 0.27 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.48 1fr1 h SER 86 CO -0.04 0.00 0.64 -1.81 -0.87 0.00 0.00 176.83 174.75 1fr1 s ASP 87 N -4.99 5.65 0.32 4.97 1.01 -0.59 -4.70 116.67 118.34 1fr1 s ASP 87 Ca 0.07 2.78 -0.29 0.00 0.71 0.00 0.00 52.55 55.82 1fr1 s ASP 87 Cb 0.09 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1fr1 s ASP 87 CO 0.55 -1.32 1.24 -2.16 0.21 0.00 0.00 175.17 173.69 1fr1 s PRO 88 N -2.66 4.42 0.28 8.23 0.04 -1.26 -1.01 135.00 143.02 1fr1 s PRO 88 Ca 0.66 2.07 0.01 0.00 0.04 0.00 0.00 61.00 63.78 1fr1 s PRO 88 Cb -0.41 -3.08 0.59 0.00 0.04 0.00 0.00 34.50 31.64 1fr1 s PRO 88 CO 0.50 -0.08 1.79 0.28 0.04 0.00 0.00 177.00 179.53 1fr1 h VAL 89 N 3.00 0.79 -0.98 -0.36 2.07 -1.73 -1.54 116.25 117.50 1fr1 h VAL 89 Ca -0.48 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 66.94 1fr1 h VAL 89 Cb 1.22 -0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 1fr1 h VAL 89 CO 0.66 0.14 0.61 0.00 0.02 0.00 0.00 177.57 179.00 1fr1 h THR 90 N 0.77 0.77 -0.73 2.57 1.03 -1.83 -0.29 112.91 115.20 1fr1 h THR 90 Ca 0.50 -0.26 0.16 0.00 -0.01 0.00 0.00 66.41 66.80 1fr1 h THR 90 Cb 0.66 -0.06 -0.04 0.00 -1.07 0.00 0.00 68.15 67.63 1fr1 h THR 90 CO -0.33 0.14 0.49 -0.61 -0.01 0.00 0.00 175.52 175.20 1fr1 h GLN 91 N 0.76 0.30 0.00 0.00 4.15 -1.66 -2.69 115.11 115.97 1fr1 h GLN 91 Ca 0.53 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.93 1fr1 h GLN 91 Cb 0.83 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.45 1fr1 h GLN 91 CO -0.30 0.20 -1.19 0.66 -1.93 0.00 0.00 178.83 176.27 1fr1 n TYR 92 N -4.45 0.00 -2.98 3.99 4.01 -0.15 -4.63 117.16 112.96 1fr1 n TYR 92 Ca 0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.76 1fr1 n TYR 92 Cb 0.58 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 1fr1 n TYR 92 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1fr1 s TRP 93 N -3.10 -0.70 0.27 -0.72 -0.00 -1.04 -4.98 118.94 108.66 1fr1 s TRP 93 Ca 0.05 -1.16 0.18 0.00 -0.00 0.00 0.00 56.10 55.17 1fr1 s TRP 93 Cb 0.16 -0.10 0.77 0.00 -0.00 0.00 0.00 33.47 34.30 1fr1 s TRP 93 CO 0.88 -1.13 1.79 -1.35 -0.00 0.00 0.00 176.95 177.14 1fr1 h PRO 94 N 5.24 0.00 0.00 5.86 0.11 -1.75 -2.36 132.00 139.10 1fr1 h PRO 94 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1fr1 h PRO 94 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1fr1 h PRO 94 CO 0.13 0.36 0.00 -1.91 -0.21 0.00 0.00 178.00 176.37 1fr1 n GLU 95 N -3.71 0.08 -3.28 1.05 2.13 -1.26 -4.09 120.64 111.56 1fr1 n GLU 95 Ca -0.01 0.57 -0.47 0.00 0.66 0.00 0.00 57.16 57.91 1fr1 n GLU 95 Cb 0.45 -1.76 -0.02 0.00 0.27 0.00 0.00 31.44 30.38 1fr1 n GLU 95 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1fr1 s LEU 96 N -3.86 6.57 0.30 4.31 2.96 -0.89 -5.02 118.68 123.04 1fr1 s LEU 96 Ca -0.01 -2.64 0.06 0.00 -0.22 0.00 0.00 54.13 51.33 1fr1 s LEU 96 Cb 0.04 -2.23 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 1fr1 s LEU 96 CO 0.13 -0.62 0.39 -0.89 -1.32 0.00 0.00 176.35 174.03 1fr1 s THR 97 N 0.42 4.43 0.00 3.68 2.01 -1.26 -4.83 115.64 120.09 1fr1 s THR 97 Ca 0.20 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.13 1fr1 s THR 97 Cb -0.09 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1fr1 s THR 97 CO -0.09 -0.23 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 1fr1 n GLY 98 N -1.50 3.37 0.25 4.40 0.00 -1.26 -4.74 105.19 105.71 1fr1 n GLY 98 Ca -0.04 -0.95 0.17 0.00 0.00 0.00 0.00 46.02 45.20 1fr1 n GLY 98 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fr1 h LYS 99 N 0.00 0.00 0.00 1.61 3.64 -1.96 -1.02 116.57 118.84 1fr1 h LYS 99 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fr1 h LYS 99 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1fr1 h LYS 99 CO 0.00 0.00 0.00 -0.56 -2.27 0.00 0.00 179.45 176.62 1fr1 h GLN 100 N 0.00 0.00 0.00 1.90 -0.00 -1.93 -1.81 115.11 113.27 1fr1 h GLN 100 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1fr1 h GLN 100 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.55 1fr1 h GLN 100 CO 0.00 0.00 -0.90 0.91 -0.00 0.00 0.00 178.83 178.84 1fr1 n TRP 101 N -2.71 0.19 -0.14 0.06 7.02 -0.39 -4.61 117.44 116.87 1fr1 n TRP 101 Ca -0.00 0.06 -0.04 0.00 -1.02 0.00 0.00 57.50 56.49 1fr1 n TRP 101 Cb 0.17 -0.35 0.02 0.00 -2.42 0.00 0.00 31.31 28.73 1fr1 n TRP 101 CO 0.00 0.00 0.00 0.37 -2.02 0.00 0.00 177.69 176.04 1fr1 h GLN 102 N 0.00 -0.08 -0.63 -0.99 -0.00 -1.44 -2.93 115.11 109.03 1fr1 h GLN 102 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1fr1 h GLN 102 Cb 0.65 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.15 1fr1 h GLN 102 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 178.83 179.18 1fr1 n GLY 103 N -1.38 2.21 3.72 2.39 0.00 -1.26 -4.92 105.19 105.94 1fr1 n GLY 103 Ca 0.03 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1fr1 n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fr1 s ILE 104 N -1.89 5.28 0.56 -0.61 1.01 -1.11 -4.94 121.20 119.51 1fr1 s ILE 104 Ca 0.40 0.62 0.05 0.00 0.00 0.00 0.00 60.65 61.71 1fr1 s ILE 104 Cb 0.26 -3.67 0.05 0.00 0.01 0.00 0.00 42.46 39.11 1fr1 s ILE 104 CO 0.17 0.37 0.41 -0.94 0.00 0.00 0.00 174.94 174.95 1fr1 s SER 105 N 0.56 4.60 0.17 3.58 1.04 -1.26 -2.24 113.70 120.14 1fr1 s SER 105 Ca 0.18 -1.31 -0.14 0.00 0.48 0.00 0.00 55.95 55.17 1fr1 s SER 105 Cb -0.13 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.59 1fr1 s SER 105 CO 0.05 -1.17 1.78 -0.07 0.98 0.00 0.00 173.24 174.82 1fr1 h LEU 106 N 0.71 0.66 -0.55 2.42 4.07 -0.43 -2.80 115.31 119.38 1fr1 h LEU 106 Ca -0.36 -0.09 0.11 0.00 0.08 0.00 0.00 57.88 57.62 1fr1 h LEU 106 Cb 1.31 -0.17 -0.10 0.00 1.08 0.00 0.00 40.66 42.78 1fr1 h LEU 106 CO 0.57 0.56 -0.07 0.25 -1.08 0.00 0.00 178.44 178.66 1fr1 h LEU 107 N 0.71 -0.38 -0.99 1.67 5.85 -1.41 -0.19 115.31 120.57 1fr1 h LEU 107 Ca 0.19 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1fr1 h LEU 107 Cb 0.04 0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 1fr1 h LEU 107 CO -0.03 -0.14 0.50 0.45 -0.34 0.00 0.00 178.44 178.88 1fr1 h HIS 108 N 0.05 1.17 -0.17 1.25 3.86 -1.79 0.11 115.15 119.64 1fr1 h HIS 108 Ca 0.27 -0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.39 1fr1 h HIS 108 Cb 0.43 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1fr1 h HIS 108 CO -0.40 0.80 -0.21 -0.07 0.86 0.00 0.00 177.93 178.91 1fr1 h LEU 109 N 1.21 0.49 -0.98 2.43 3.38 -1.19 -1.09 115.31 119.56 1fr1 h LEU 109 Ca 0.31 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1fr1 h LEU 109 Cb -0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1fr1 h LEU 109 CO -0.05 0.89 0.47 0.00 0.09 0.00 0.00 178.44 179.84 1fr1 h ALA 110 N 0.61 1.22 -0.56 1.53 0.00 -0.79 -2.83 119.26 118.44 1fr1 h ALA 110 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fr1 h ALA 110 Cb 0.76 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1fr1 h ALA 110 CO 0.05 0.63 0.00 0.25 0.00 0.00 0.00 179.25 180.18 1fr1 n THR 111 N -4.34 1.68 -2.35 0.00 -2.24 0.36 -4.65 114.28 102.74 1fr1 n THR 111 Ca 0.09 -1.23 -0.18 0.00 -2.27 0.00 0.00 64.05 60.46 1fr1 n THR 111 Cb 0.09 0.18 -0.01 0.00 -2.10 0.00 0.00 70.33 68.49 1fr1 n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1fr1 n TYR 112 N 0.89 -0.87 -1.43 4.78 4.01 -0.75 -4.86 117.16 118.93 1fr1 n TYR 112 Ca 0.23 0.01 0.07 0.00 -0.16 0.00 0.00 57.90 58.05 1fr1 n TYR 112 Cb 0.80 -3.59 0.18 0.00 -0.31 0.00 0.00 39.34 36.41 1fr1 n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1fr1 n THR 113 N -4.02 2.07 0.35 -0.72 -2.24 -0.49 -0.51 114.28 108.72 1fr1 n THR 113 Ca -0.21 -2.87 0.13 0.00 -2.27 0.00 0.00 64.05 58.82 1fr1 n THR 113 Cb 0.66 -0.23 0.56 0.00 -2.10 0.00 0.00 70.33 69.22 1fr1 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fr1 h ALA 114 N 0.65 1.00 0.00 6.98 0.00 -1.76 0.28 119.26 126.41 1fr1 h ALA 114 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fr1 h ALA 114 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1fr1 h ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1fr1 n GLY 115 N -0.13 1.98 0.00 0.00 0.00 -1.26 -4.30 105.19 101.47 1fr1 n GLY 115 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1fr1 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr1 n GLY 116 N -0.17 1.48 3.78 -0.02 0.00 -1.26 -0.04 105.19 108.96 1fr1 n GLY 116 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1fr1 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fr1 s LEU 117 N 0.00 4.28 0.63 0.99 1.43 -1.26 -4.80 118.68 119.95 1fr1 s LEU 117 Ca 0.00 2.98 -0.16 0.00 -1.03 0.00 0.00 54.13 55.92 1fr1 s LEU 117 Cb 0.00 -3.73 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 1fr1 s LEU 117 CO 0.00 -0.91 1.10 -2.16 0.23 0.00 0.00 176.35 174.61 1fr1 s PRO 118 N -2.15 2.98 0.29 1.29 0.04 -1.26 -4.70 135.00 131.49 1fr1 s PRO 118 Ca 0.54 1.37 0.04 0.00 0.04 0.00 0.00 61.00 63.00 1fr1 s PRO 118 Cb -0.45 -1.97 0.74 0.00 0.04 0.00 0.00 34.50 32.86 1fr1 s PRO 118 CO 0.60 -1.11 1.70 1.25 0.04 0.00 0.00 177.00 179.48 1fr1 h LEU 119 N 0.25 0.35 -8.42 -3.56 5.85 -1.92 -3.29 115.31 104.57 1fr1 h LEU 119 Ca -0.47 0.15 -0.37 0.00 0.84 0.00 0.00 57.88 58.03 1fr1 h LEU 119 Cb 1.24 0.13 -0.20 0.00 0.37 0.00 0.00 40.66 42.20 1fr1 h LEU 119 CO 0.55 0.00 -0.76 -1.10 -0.34 0.00 0.00 178.44 176.80 1fr1 s GLN 120 N -5.88 0.82 0.36 1.25 -1.52 -1.26 -0.69 119.66 112.74 1fr1 s GLN 120 Ca -0.11 -1.02 -0.27 0.00 -1.95 0.00 0.00 55.36 52.01 1fr1 s GLN 120 Cb 0.25 -0.70 -0.09 0.00 -0.22 0.00 0.00 33.01 32.26 1fr1 s GLN 120 CO 0.78 0.14 1.15 0.08 -0.25 0.00 0.00 175.29 177.19 1fr1 s VAL 121 N -1.70 3.29 0.74 1.09 1.01 -1.26 -4.85 120.40 118.70 1fr1 s VAL 121 Ca 0.00 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.98 1fr1 s VAL 121 Cb -0.07 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1fr1 s VAL 121 CO 0.02 0.16 0.97 -2.65 0.00 0.00 0.00 175.10 173.60 1fr1 n PRO 122 N 0.45 0.44 0.22 2.72 -0.02 -1.26 -4.90 135.00 132.65 1fr1 n PRO 122 Ca 0.02 0.21 0.15 0.00 -2.02 0.00 0.00 63.50 61.86 1fr1 n PRO 122 Cb 0.46 -2.23 0.72 0.00 -0.02 0.00 0.00 33.50 32.43 1fr1 n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1fr1 h ASP 123 N -0.37 0.00 -0.58 2.55 3.45 -2.06 -2.00 116.42 117.41 1fr1 h ASP 123 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 1fr1 h ASP 123 Cb 1.33 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.10 1fr1 h ASP 123 CO 0.46 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.23 1fr1 n ASP 124 N -2.59 3.58 -4.10 6.45 3.85 -1.26 -4.77 116.55 117.71 1fr1 n ASP 124 Ca -0.00 -1.99 -0.36 0.00 -0.71 0.00 0.00 54.79 51.73 1fr1 n ASP 124 Cb 0.15 -0.38 -0.11 0.00 -1.35 0.00 0.00 41.12 39.42 1fr1 n ASP 124 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1fr1 s VAL 125 N -1.05 3.33 -0.04 2.12 1.01 -0.75 -4.91 120.40 120.10 1fr1 s VAL 125 Ca 0.40 -2.34 0.06 0.00 0.00 0.00 0.00 61.98 60.09 1fr1 s VAL 125 Cb 0.21 -3.26 0.09 0.00 0.00 0.00 0.00 36.38 33.42 1fr1 s VAL 125 CO 0.28 -0.74 0.99 0.35 0.00 0.00 0.00 175.10 175.98 1fr1 n THR 126 N 4.25 0.62 -3.69 3.92 -2.24 -1.26 -4.72 114.28 111.16 1fr1 n THR 126 Ca 0.01 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 60.95 1fr1 n THR 126 Cb 0.40 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1fr1 n THR 126 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1fr1 s ASP 127 N -1.44 -0.30 0.45 3.42 1.47 -1.26 -4.90 116.67 114.11 1fr1 s ASP 127 Ca 0.09 -0.40 0.20 0.00 1.18 0.00 0.00 52.55 53.63 1fr1 s ASP 127 Cb 0.08 0.58 1.08 0.00 -0.34 0.00 0.00 42.92 44.33 1fr1 s ASP 127 CO 0.01 -1.03 1.95 0.11 0.68 0.00 0.00 175.17 176.88 1fr1 h LYS 128 N 2.18 0.00 -0.20 2.11 6.56 -1.98 -1.77 116.57 123.46 1fr1 h LYS 128 Ca -0.30 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.10 1fr1 h LYS 128 Cb 1.27 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.93 1fr1 h LYS 128 CO 0.38 0.23 -0.63 0.00 -2.06 0.00 0.00 179.45 177.37 1fr1 h ALA 129 N 1.77 0.35 -0.52 3.86 0.00 -2.00 -2.53 119.26 120.19 1fr1 h ALA 129 Ca -0.00 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.27 1fr1 h ALA 129 Cb 0.49 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1fr1 h ALA 129 CO 0.03 0.62 -0.04 0.00 0.00 0.00 0.00 179.25 179.85 1fr1 h ALA 130 N 0.59 0.94 -0.47 0.00 0.00 -1.87 -2.57 119.26 115.88 1fr1 h ALA 130 Ca -0.02 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.62 1fr1 h ALA 130 Cb 1.25 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1fr1 h ALA 130 CO 0.13 0.63 0.24 1.25 0.00 0.00 0.00 179.25 181.50 1fr1 h LEU 131 N 0.84 0.35 -0.66 0.00 5.85 -1.18 0.40 115.31 120.90 1fr1 h LEU 131 Ca 0.15 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 1fr1 h LEU 131 Cb 0.56 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1fr1 h LEU 131 CO 0.03 0.25 0.21 0.25 -0.34 0.00 0.00 178.44 178.84 1fr1 h LEU 132 N 0.48 0.97 -0.08 2.25 5.85 -1.23 -2.69 115.31 120.85 1fr1 h LEU 132 Ca 0.20 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1fr1 h LEU 132 Cb 0.10 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1fr1 h LEU 132 CO -0.14 0.92 0.05 -0.09 -0.34 0.00 0.00 178.44 178.84 1fr1 h ARG 133 N 0.97 0.12 -0.34 1.25 2.43 -0.99 0.53 114.38 118.34 1fr1 h ARG 133 Ca 0.21 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1fr1 h ARG 133 Cb 0.30 -0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.74 1fr1 h ARG 133 CO -0.01 0.16 -0.39 0.35 -1.51 0.00 0.00 179.97 178.57 1fr1 h PHE 134 N 0.05 -1.12 -0.37 2.20 3.57 -0.74 0.53 116.94 121.05 1fr1 h PHE 134 Ca 0.03 0.06 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 1fr1 h PHE 134 Cb 0.07 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1fr1 h PHE 134 CO -0.05 -0.43 -0.32 1.88 -2.23 0.00 0.00 178.31 177.17 1fr1 h TYR 135 N -0.34 0.95 -0.77 0.41 0.05 -1.40 -1.36 116.97 114.52 1fr1 h TYR 135 Ca 0.14 -0.25 0.01 0.00 0.05 0.00 0.00 58.73 58.67 1fr1 h TYR 135 Cb 0.58 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 38.07 1fr1 h TYR 135 CO -0.56 1.02 0.50 0.37 -1.05 0.00 0.00 178.16 178.44 1fr1 h GLN 136 N 0.69 1.02 0.00 4.88 4.15 -0.43 -2.99 115.11 122.42 1fr1 h GLN 136 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1fr1 h GLN 136 Cb 0.86 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1fr1 h GLN 136 CO 0.08 0.68 -0.34 0.09 -1.93 0.00 0.00 178.83 177.40 1fr1 n ASN 137 N -4.54 0.50 -4.68 -0.69 3.02 0.14 -4.87 115.26 104.13 1fr1 n ASN 137 Ca 0.07 0.17 -0.44 0.00 -0.03 0.00 0.00 54.58 54.35 1fr1 n ASN 137 Cb 0.02 -0.12 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 1fr1 n ASN 137 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1fr1 n TRP 138 N -1.82 2.20 -3.92 3.10 -0.00 -0.53 -4.99 117.44 111.48 1fr1 n TRP 138 Ca 0.05 0.43 -0.35 0.00 -0.00 0.00 0.00 57.50 57.64 1fr1 n TRP 138 Cb 0.38 -2.46 -0.14 0.00 -0.00 0.00 0.00 31.31 29.09 1fr1 n TRP 138 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 1fr1 s GLN 139 N -0.53 2.63 0.44 5.87 0.74 -1.26 -4.97 119.66 122.58 1fr1 s GLN 139 Ca 0.67 -1.12 -0.25 0.00 0.05 0.00 0.00 55.36 54.71 1fr1 s GLN 139 Cb -0.64 -3.10 -0.08 0.00 1.10 0.00 0.00 33.01 30.29 1fr1 s GLN 139 CO 0.51 -0.52 1.31 -2.14 -0.55 0.00 0.00 175.29 173.90 1fr1 s PRO 140 N 1.29 3.80 -0.12 1.67 0.02 -1.26 -4.96 135.00 135.44 1fr1 s PRO 140 Ca -0.03 2.15 -0.14 0.00 0.02 0.00 0.00 61.00 63.01 1fr1 s PRO 140 Cb -0.18 -2.64 -0.26 0.00 0.02 0.00 0.00 34.50 31.44 1fr1 s PRO 140 CO -0.02 -0.63 0.47 1.96 -0.33 0.00 0.00 177.00 178.44 1fr1 h GLN 141 N 2.40 0.22 -5.23 5.54 4.20 -0.77 -3.49 115.11 117.99 1fr1 h GLN 141 Ca -0.50 -0.38 -0.46 0.00 0.06 0.00 0.00 58.65 57.37 1fr1 h GLN 141 Cb 1.26 0.14 -0.14 0.00 0.30 0.00 0.00 27.48 29.04 1fr1 h GLN 141 CO 0.61 1.18 -0.62 -1.58 -0.67 0.00 0.00 178.83 177.76 1fr1 s TRP 142 N -2.49 1.90 0.59 2.96 0.51 -1.14 -5.06 118.94 116.21 1fr1 s TRP 142 Ca -0.22 -0.94 -0.17 0.00 -2.12 0.00 0.00 56.10 52.66 1fr1 s TRP 142 Cb 0.05 -1.21 -0.04 0.00 -0.81 0.00 0.00 33.47 31.47 1fr1 s TRP 142 CO 0.75 0.02 1.08 0.00 -0.51 0.00 0.00 176.95 178.29 1fr1 s ALA 143 N -3.30 2.67 0.27 0.98 0.00 -1.26 -4.41 121.76 116.72 1fr1 s ALA 143 Ca 0.35 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1fr1 s ALA 143 Cb 0.08 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.78 1fr1 s ALA 143 CO 0.14 -0.86 1.30 -0.35 0.00 0.00 0.00 175.76 175.99 1fr1 n PRO 144 N -1.86 1.90 -0.26 0.00 -0.04 -1.26 -1.46 135.00 132.02 1fr1 n PRO 144 Ca 0.10 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1fr1 n PRO 144 Cb 0.52 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1fr1 n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fr1 n GLY 145 N 1.62 2.43 0.19 0.55 0.00 0.98 -4.90 105.19 106.06 1fr1 n GLY 145 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1fr1 n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fr1 h ALA 146 N 0.00 -0.39 -2.46 4.61 0.00 -1.46 -3.42 119.26 116.14 1fr1 h ALA 146 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 1fr1 h ALA 146 Cb 0.00 0.15 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 1fr1 h ALA 146 CO 0.00 -0.61 -0.57 0.15 0.00 0.00 0.00 179.25 178.22 1fr1 s LYS 147 N -5.20 0.95 -0.21 0.00 1.02 -1.26 -3.08 119.74 111.95 1fr1 s LYS 147 Ca -0.15 -1.35 -0.05 0.00 0.02 0.00 0.00 55.97 54.44 1fr1 s LYS 147 Cb 0.03 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.59 1fr1 s LYS 147 CO 0.59 -0.28 -0.01 0.50 -0.92 0.00 0.00 175.35 175.23 1fr1 s ARG 148 N -4.02 3.52 -0.21 1.68 3.52 -0.22 -4.20 118.95 119.02 1fr1 s ARG 148 Ca 0.21 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.25 1fr1 s ARG 148 Cb 0.07 -3.07 0.05 0.00 -1.56 0.00 0.00 34.95 30.44 1fr1 s ARG 148 CO 0.00 -0.09 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.16 1fr1 s LEU 149 N 1.25 2.31 -0.17 -0.88 2.96 0.33 -2.13 118.68 122.37 1fr1 s LEU 149 Ca 0.03 -0.99 -0.34 0.00 -0.22 0.00 0.00 54.13 52.61 1fr1 s LEU 149 Cb -0.15 -1.16 -0.11 0.00 0.50 0.00 0.00 46.19 45.27 1fr1 s LEU 149 CO 0.00 -0.19 1.96 0.00 -1.32 0.00 0.00 176.35 176.80 1fr1 n TYR 150 N 4.71 2.15 -3.74 5.38 4.19 -1.26 -4.77 117.16 123.81 1fr1 n TYR 150 Ca -0.13 0.08 -0.12 0.00 3.31 0.00 0.00 57.90 61.03 1fr1 n TYR 150 Cb 0.45 -2.63 -0.11 0.00 0.49 0.00 0.00 39.34 37.54 1fr1 n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1fr1 s ALA 151 N 5.03 -0.83 0.25 2.98 0.00 -1.26 -4.37 121.76 123.56 1fr1 s ALA 151 Ca 0.97 1.09 -0.04 0.00 0.00 0.00 0.00 51.96 53.98 1fr1 s ALA 151 Cb -0.72 -0.65 0.29 0.00 0.00 0.00 0.00 23.12 22.03 1fr1 s ALA 151 CO 0.51 -0.19 1.80 -0.91 0.00 0.00 0.00 175.76 176.97 1fr1 h ASN 152 N 6.24 0.92 0.43 0.00 2.35 -1.07 -2.76 115.58 121.70 1fr1 h ASN 152 Ca -0.31 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1fr1 h ASN 152 Cb 1.18 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1fr1 h ASN 152 CO 0.31 0.87 0.00 -1.54 -1.65 0.00 0.00 177.43 175.42 1fr1 n SER 153 N -4.27 0.35 -0.04 5.81 3.41 -1.24 -0.13 113.62 117.52 1fr1 n SER 153 Ca 0.05 0.61 -0.03 0.00 -0.26 0.00 0.00 58.87 59.24 1fr1 n SER 153 Cb 0.22 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.48 1fr1 n SER 153 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1fr1 n SER 154 N -1.91 0.84 0.04 4.04 2.88 -1.05 -3.81 113.62 114.64 1fr1 n SER 154 Ca 0.02 0.32 -0.03 0.00 -1.33 0.00 0.00 58.87 57.85 1fr1 n SER 154 Cb 0.14 -0.65 0.21 0.00 -0.75 0.00 0.00 64.21 63.17 1fr1 n SER 154 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1fr1 h ILE 155 N -0.45 1.27 -0.50 2.46 2.10 -1.36 -1.85 117.51 119.17 1fr1 h ILE 155 Ca 0.00 -1.30 0.08 0.00 1.08 0.00 0.00 64.86 64.73 1fr1 h ILE 155 Cb 0.31 1.41 -0.07 0.00 -1.09 0.00 0.00 36.82 37.38 1fr1 h ILE 155 CO 0.00 0.41 0.11 1.23 -1.08 0.00 0.00 178.15 178.82 1fr1 h GLY 156 N 1.04 0.62 1.44 8.18 0.00 -0.75 -1.09 103.07 112.51 1fr1 h GLY 156 Ca 0.05 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.21 1fr1 h GLY 156 CO 0.05 -0.06 -0.39 -2.00 0.00 0.00 0.00 176.54 174.14 1fr1 h LEU 157 N 0.25 0.65 -0.17 3.11 5.85 -1.54 -2.80 115.31 120.66 1fr1 h LEU 157 Ca 0.25 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1fr1 h LEU 157 Cb 0.33 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1fr1 h LEU 157 CO -0.32 0.97 0.05 0.15 -0.34 0.00 0.00 178.44 178.95 1fr1 h PHE 158 N 0.51 0.09 -0.14 1.25 3.04 -0.62 -1.44 116.94 119.62 1fr1 h PHE 158 Ca 0.05 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.04 1fr1 h PHE 158 Cb 0.90 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.35 1fr1 h PHE 158 CO 0.04 0.04 -0.11 0.78 -2.02 0.00 0.00 178.31 177.04 1fr1 h GLY 159 N 0.13 0.01 1.18 2.40 0.00 -0.98 -0.65 103.07 105.16 1fr1 h GLY 159 Ca 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 1fr1 h GLY 159 CO -0.08 -0.12 0.47 0.00 0.00 0.00 0.00 176.54 176.81 1fr1 h ALA 160 N 0.99 1.34 -0.02 3.60 0.00 -1.30 -3.06 119.26 120.82 1fr1 h ALA 160 Ca 0.09 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1fr1 h ALA 160 Cb 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1fr1 h ALA 160 CO -0.21 0.57 -0.91 -0.07 0.00 0.00 0.00 179.25 178.62 1fr1 h LEU 161 N 1.10 0.59 -1.56 0.00 3.38 -0.81 -3.33 115.31 114.69 1fr1 h LEU 161 Ca 0.29 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1fr1 h LEU 161 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1fr1 h LEU 161 CO -0.05 1.25 -0.19 0.00 0.09 0.00 0.00 178.44 179.53 1fr1 h ALA 162 N 0.72 1.64 -0.00 1.53 0.00 -1.03 -2.21 119.26 119.90 1fr1 h ALA 162 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1fr1 h ALA 162 Cb 1.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1fr1 h ALA 162 CO 0.16 0.27 -0.14 1.33 0.00 0.00 0.00 179.25 180.87 1fr1 n VAL 163 N -4.29 0.00 0.24 0.00 0.24 -1.19 -4.54 118.33 108.79 1fr1 n VAL 163 Ca -0.02 -0.07 -0.16 0.00 -2.04 0.00 0.00 64.34 62.05 1fr1 n VAL 163 Cb 0.26 0.01 -0.08 0.00 -1.47 0.00 0.00 33.84 32.57 1fr1 n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1fr1 h LYS 164 N 0.70 -0.67 -0.68 7.34 1.57 -1.53 -2.91 116.57 120.38 1fr1 h LYS 164 Ca 0.00 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.96 1fr1 h LYS 164 Cb 0.39 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 32.73 1fr1 h LYS 164 CO 0.00 -0.45 -0.17 -1.35 -0.57 0.00 0.00 179.45 176.91 1fr1 h PRO 165 N -0.70 0.00 -0.11 3.15 0.11 -1.80 -0.63 132.00 132.02 1fr1 h PRO 165 Ca -0.04 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.11 1fr1 h PRO 165 Cb 0.60 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1fr1 h PRO 165 CO -0.00 0.00 0.11 0.66 -0.21 0.00 0.00 178.00 178.56 1fr1 h SER 166 N 0.00 0.00 -0.10 -2.05 4.64 -1.81 -3.45 113.55 110.78 1fr1 h SER 166 Ca 0.33 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.61 1fr1 h SER 166 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1fr1 h SER 166 CO -0.70 0.00 -0.04 0.61 -0.87 0.00 0.00 176.83 175.83 1fr1 n GLY 167 N -1.41 0.54 3.87 -0.77 0.00 -0.24 -5.02 105.19 102.17 1fr1 n GLY 167 Ca -0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 1fr1 n GLY 167 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fr1 s MET 168 N -1.32 3.07 1.01 1.61 -1.94 -1.25 -5.10 119.30 115.39 1fr1 s MET 168 Ca 0.00 -0.98 -0.14 0.00 -1.71 0.00 0.00 55.69 52.86 1fr1 s MET 168 Cb 0.00 -2.66 0.19 0.00 2.01 0.00 0.00 34.83 34.37 1fr1 s MET 168 CO 0.00 0.38 1.12 -1.12 -0.01 0.00 0.00 175.02 175.39 1fr1 s SER 169 N -3.90 2.56 0.06 3.03 0.01 -1.26 -4.67 113.70 109.52 1fr1 s SER 169 Ca 0.34 0.98 -0.19 0.00 1.31 0.00 0.00 55.95 58.39 1fr1 s SER 169 Cb -0.08 -1.53 -0.13 0.00 0.21 0.00 0.00 66.02 64.50 1fr1 s SER 169 CO 0.26 -3.14 1.37 0.22 0.41 0.00 0.00 173.24 172.36 1fr1 h TYR 170 N -1.91 0.52 -0.98 2.43 5.03 -1.93 -0.79 116.97 119.34 1fr1 h TYR 170 Ca -0.52 -0.15 0.02 0.00 2.58 0.00 0.00 58.73 60.66 1fr1 h TYR 170 Cb 1.32 -0.11 -0.05 0.00 1.55 0.00 0.00 36.73 39.44 1fr1 h TYR 170 CO -0.16 0.79 0.65 1.49 -1.32 0.00 0.00 178.16 179.61 1fr1 h GLU 171 N 0.10 1.25 -0.20 1.82 4.81 -1.99 0.26 114.58 120.63 1fr1 h GLU 171 Ca 0.03 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 1fr1 h GLU 171 Cb 0.70 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1fr1 h GLU 171 CO 0.04 0.83 -0.06 1.49 -0.73 0.00 0.00 179.01 180.58 1fr1 h GLU 172 N 1.29 0.39 -0.28 1.92 4.81 -1.91 -2.48 114.58 118.32 1fr1 h GLU 172 Ca 0.37 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1fr1 h GLU 172 Cb -0.09 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1fr1 h GLU 172 CO -0.10 0.66 0.13 0.00 -0.73 0.00 0.00 179.01 178.97 1fr1 h ALA 173 N 0.72 0.36 -0.53 2.92 0.00 -0.70 -1.17 119.26 120.86 1fr1 h ALA 173 Ca 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1fr1 h ALA 173 Cb 0.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1fr1 h ALA 173 CO 0.02 -0.07 0.33 1.98 0.00 0.00 0.00 179.25 181.52 1fr1 h MET 174 N 0.31 0.65 0.08 0.00 1.85 -0.51 0.27 114.93 117.58 1fr1 h MET 174 Ca 0.09 -0.04 -0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1fr1 h MET 174 Cb 0.14 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.02 1fr1 h MET 174 CO -0.01 0.43 -0.04 1.03 -0.40 0.00 0.00 176.91 177.92 1fr1 h SER 175 N 0.67 -0.09 -0.03 1.39 0.87 -1.31 -1.34 113.55 113.70 1fr1 h SER 175 Ca 0.21 -0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1fr1 h SER 175 Cb -0.01 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1fr1 h SER 175 CO -0.08 0.19 0.01 0.50 -0.53 0.00 0.00 176.83 176.93 1fr1 h LYS 176 N -0.38 0.05 0.00 2.24 3.64 -1.11 0.24 116.57 121.25 1fr1 h LYS 176 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1fr1 h LYS 176 Cb 0.33 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1fr1 h LYS 176 CO 0.02 0.22 -0.90 0.00 -2.27 0.00 0.00 179.45 176.52 1fr1 h ARG 177 N -0.13 0.00 0.00 1.90 3.08 -0.55 -3.40 114.38 115.29 1fr1 h ARG 177 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1fr1 h ARG 177 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1fr1 h ARG 177 CO -0.00 0.03 -0.48 0.28 -1.07 0.00 0.00 179.97 178.73 1fr1 n VAL 178 N -2.76 0.16 0.03 2.04 0.31 -0.94 -4.76 118.33 112.41 1fr1 n VAL 178 Ca -0.00 0.05 -0.13 0.00 -0.01 0.00 0.00 64.34 64.25 1fr1 n VAL 178 Cb 0.58 -1.12 -0.09 0.00 -0.91 0.00 0.00 33.84 32.29 1fr1 n VAL 178 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1fr1 h LEU 179 N 0.00 -0.08 0.26 7.52 3.38 -1.17 -3.07 115.31 122.15 1fr1 h LEU 179 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1fr1 h LEU 179 Cb 0.48 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1fr1 h LEU 179 CO 0.00 0.29 -0.27 0.45 0.09 0.00 0.00 178.44 179.01 1fr1 h HIS 180 N -0.46 -0.71 -0.34 1.13 3.86 -0.75 -1.61 115.15 116.27 1fr1 h HIS 180 Ca -0.01 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.30 1fr1 h HIS 180 Cb 0.40 0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 1fr1 h HIS 180 CO 0.05 -0.39 0.28 -1.35 0.86 0.00 0.00 177.93 177.38 1fr1 h PRO 181 N -0.56 0.00 -0.23 2.45 0.11 -1.77 0.12 132.00 132.11 1fr1 h PRO 181 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1fr1 h PRO 181 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1fr1 h PRO 181 CO -0.06 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.01 1fr1 n LEU 182 N -4.17 3.09 -3.56 2.35 4.77 -1.08 -4.93 117.00 113.48 1fr1 n LEU 182 Ca 0.05 -1.32 -0.20 0.00 -0.03 0.00 0.00 56.01 54.50 1fr1 n LEU 182 Cb 0.45 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1fr1 n LEU 182 CO 0.33 0.62 -0.01 0.29 -1.33 0.00 0.00 177.39 177.29 1fr1 n LYS 183 N 1.27 -4.38 -3.17 3.23 5.02 0.40 -4.91 118.16 115.63 1fr1 n LYS 183 Ca 0.16 0.70 -0.44 0.00 -2.02 0.00 0.00 58.31 56.70 1fr1 n LYS 183 Cb 0.55 -5.32 0.00 0.00 -0.02 0.00 0.00 35.03 30.24 1fr1 n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1fr1 n LEU 184 N -4.04 5.77 -0.14 -0.35 4.77 -0.69 -4.80 117.00 117.53 1fr1 n LEU 184 Ca -0.23 -5.00 0.15 0.00 -0.03 0.00 0.00 56.01 50.89 1fr1 n LEU 184 Cb 0.66 -1.44 0.69 0.00 -2.33 0.00 0.00 43.42 40.99 1fr1 n LEU 184 CO 0.65 1.37 0.94 0.00 -1.33 0.00 0.00 177.39 179.01 1fr1 n ALA 185 N 2.72 2.70 -1.41 -1.18 0.00 -1.26 -3.23 120.51 118.85 1fr1 n ALA 185 Ca 0.27 -0.27 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1fr1 n ALA 185 Cb 0.38 -1.36 0.15 0.00 0.00 0.00 0.00 19.45 18.61 1fr1 n ALA 185 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1fr1 n HIS 186 N -0.81 0.00 -4.07 0.00 8.25 -1.26 -4.98 115.22 112.35 1fr1 n HIS 186 Ca 0.17 -1.07 -0.33 0.00 -0.26 0.00 0.00 57.72 56.23 1fr1 n HIS 186 Cb 0.25 -0.18 -0.16 0.00 1.12 0.00 0.00 29.99 31.02 1fr1 n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1fr1 s THR 187 N -2.62 2.35 0.09 1.59 2.01 -1.20 -3.33 115.64 114.54 1fr1 s THR 187 Ca 0.32 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.49 1fr1 s THR 187 Cb 0.30 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 1fr1 s THR 187 CO -0.02 0.50 -0.11 0.26 -0.69 0.00 0.00 174.62 174.56 1fr1 s TRP 188 N 1.33 1.05 -0.26 4.92 0.52 0.02 -4.99 118.94 121.54 1fr1 s TRP 188 Ca 0.05 -0.61 -0.13 0.00 0.02 0.00 0.00 56.10 55.42 1fr1 s TRP 188 Cb -0.13 -0.58 -0.15 0.00 -1.15 0.00 0.00 33.47 31.46 1fr1 s TRP 188 CO -0.11 0.00 -0.20 -0.89 0.02 0.00 0.00 176.95 175.78 1fr1 n ILE 189 N 0.75 1.54 -3.92 2.03 5.41 -1.26 -0.46 119.36 123.45 1fr1 n ILE 189 Ca -0.17 -0.35 -0.35 0.00 1.00 0.00 0.00 62.75 62.88 1fr1 n ILE 189 Cb 0.57 -1.85 -0.14 0.00 -0.71 0.00 0.00 39.64 37.51 1fr1 n ILE 189 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1fr1 s THR 190 N -2.48 3.23 -0.14 1.39 2.01 -1.26 -4.81 115.64 113.58 1fr1 s THR 190 Ca -0.36 -0.70 -0.27 0.00 0.31 0.00 0.00 61.69 60.68 1fr1 s THR 190 Cb 0.12 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.08 1fr1 s THR 190 CO 0.54 0.32 0.90 -0.69 -0.69 0.00 0.00 174.62 174.99 1fr1 s VAL 191 N 1.43 4.85 0.63 3.82 1.01 -1.26 -5.02 120.40 125.86 1fr1 s VAL 191 Ca 0.04 1.79 -0.17 0.00 0.00 0.00 0.00 61.98 63.64 1fr1 s VAL 191 Cb -0.15 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1fr1 s VAL 191 CO -0.03 0.03 1.13 -2.84 0.00 0.00 0.00 175.10 173.39 1fr1 s PRO 192 N 2.02 2.90 0.25 2.72 0.02 -1.26 -4.91 135.00 136.74 1fr1 s PRO 192 Ca 0.42 1.53 -0.04 0.00 0.02 0.00 0.00 61.00 62.93 1fr1 s PRO 192 Cb -0.17 -1.95 0.51 0.00 0.02 0.00 0.00 34.50 32.91 1fr1 s PRO 192 CO 0.15 -1.19 1.67 0.37 -0.33 0.00 0.00 177.00 177.66 1fr1 h GLN 193 N 0.40 0.22 -0.15 5.54 5.75 -2.01 1.00 115.11 125.86 1fr1 h GLN 193 Ca -0.48 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.05 1fr1 h GLN 193 Cb 1.26 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.75 1fr1 h GLN 193 CO 0.54 0.15 0.17 0.77 -2.65 0.00 0.00 178.83 177.81 1fr1 h SER 194 N 0.23 0.00 -0.24 -0.69 0.02 -2.03 -2.09 113.55 108.75 1fr1 h SER 194 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1fr1 h SER 194 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 1fr1 h SER 194 CO -0.57 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.50 1fr1 n GLU 195 N -3.80 1.93 0.21 3.45 -0.58 0.31 -4.61 120.64 117.56 1fr1 n GLU 195 Ca 0.01 -1.80 0.12 0.00 -0.42 0.00 0.00 57.16 55.07 1fr1 n GLU 195 Cb 0.29 -1.32 0.71 0.00 -0.57 0.00 0.00 31.44 30.55 1fr1 n GLU 195 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1fr1 h GLN 196 N 2.81 0.00 0.00 3.49 1.08 -0.99 -0.39 115.11 121.11 1fr1 h GLN 196 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1fr1 h GLN 196 Cb 0.71 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1fr1 h GLN 196 CO 0.00 0.00 0.00 1.57 -0.95 0.00 0.00 178.83 179.45 1fr1 h LYS 197 N 0.00 0.00 -0.02 1.46 -0.00 -1.81 -2.21 116.57 113.98 1fr1 h LYS 197 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.71 1fr1 h LYS 197 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.47 1fr1 h LYS 197 CO -0.00 0.00 -0.19 -0.25 -0.00 0.00 0.00 179.45 179.01 1fr1 n ASP 198 N -2.78 2.55 -4.56 7.07 8.00 -0.16 -4.90 116.55 121.77 1fr1 n ASP 198 Ca 0.00 -1.78 -0.43 0.00 0.71 0.00 0.00 54.79 53.30 1fr1 n ASP 198 Cb 0.23 0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.48 1fr1 n ASP 198 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1fr1 s TYR 199 N -2.14 2.99 0.67 1.24 5.04 -0.83 -0.14 117.35 124.17 1fr1 s TYR 199 Ca 0.23 0.38 -0.17 0.00 -2.44 0.00 0.00 57.07 55.07 1fr1 s TYR 199 Cb 0.19 -3.76 0.01 0.00 0.35 0.00 0.00 41.96 38.74 1fr1 s TYR 199 CO 0.40 -0.99 1.22 0.00 -1.34 0.00 0.00 175.55 174.84 1fr1 s ALA 200 N 3.49 2.30 -0.01 3.97 0.00 -0.94 -4.95 121.76 125.62 1fr1 s ALA 200 Ca 0.34 0.96 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 1fr1 s ALA 200 Cb -0.11 -3.47 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 1fr1 s ALA 200 CO 0.23 -1.59 0.42 -1.58 0.00 0.00 0.00 175.76 173.23 1fr1 s TRP 201 N -1.79 3.71 0.26 0.00 0.52 -0.92 -4.95 118.94 115.76 1fr1 s TRP 201 Ca 0.76 0.98 -0.14 0.00 0.02 0.00 0.00 56.10 57.72 1fr1 s TRP 201 Cb -0.31 -2.32 -0.08 0.00 -1.15 0.00 0.00 33.47 29.61 1fr1 s TRP 201 CO 0.41 0.59 0.66 0.20 0.02 0.00 0.00 176.95 178.82 1fr1 s GLY 202 N -0.87 2.39 -0.14 0.98 0.00 -0.67 -4.84 107.32 104.16 1fr1 s GLY 202 Ca 0.24 -0.04 0.02 0.00 0.00 0.00 0.00 44.72 44.94 1fr1 s GLY 202 CO 0.13 0.19 -0.21 -0.19 0.00 0.00 0.00 173.10 173.02 1fr1 s TYR 203 N -1.79 2.68 -0.20 1.90 1.51 -1.00 0.16 117.35 120.61 1fr1 s TYR 203 Ca 0.48 -1.27 -0.03 0.00 -1.01 0.00 0.00 57.07 55.25 1fr1 s TYR 203 Cb -0.12 -1.82 0.06 0.00 -0.11 0.00 0.00 41.96 39.97 1fr1 s TYR 203 CO 0.19 -0.57 0.04 0.50 -1.11 0.00 0.00 175.55 174.60 1fr1 s ARG 204 N 0.77 0.69 -1.46 -0.62 6.06 -0.19 -4.45 118.95 119.75 1fr1 s ARG 204 Ca -0.08 -0.48 -0.08 0.00 -2.50 0.00 0.00 55.73 52.59 1fr1 s ARG 204 Cb -0.16 -2.12 0.03 0.00 0.06 0.00 0.00 34.95 32.77 1fr1 s ARG 204 CO -0.01 -0.66 0.79 0.39 -2.50 0.00 0.00 175.30 173.32 1fr1 n GLU 205 N 5.03 -5.46 -0.96 5.12 -0.58 -1.26 -1.18 120.64 121.34 1fr1 n GLU 205 Ca -0.09 0.76 0.00 0.00 -0.42 0.00 0.00 57.16 57.41 1fr1 n GLU 205 Cb 0.47 -5.65 0.00 0.00 -0.57 0.00 0.00 31.44 25.69 1fr1 n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fr1 n GLY 206 N -1.61 0.92 3.79 0.62 0.00 -1.26 -5.02 105.19 102.64 1fr1 n GLY 206 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1fr1 n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fr1 s LYS 207 N -0.08 3.60 -0.05 1.61 -0.14 -0.32 -5.05 119.74 119.31 1fr1 s LYS 207 Ca 0.00 -0.21 -0.30 0.00 -1.36 0.00 0.00 55.97 54.10 1fr1 s LYS 207 Cb 0.00 -3.19 -0.05 0.00 -1.68 0.00 0.00 37.83 32.91 1fr1 s LYS 207 CO 0.00 0.61 1.50 -1.25 -0.76 0.00 0.00 175.35 175.46 1fr1 s PRO 208 N -0.56 4.22 0.03 -1.68 0.04 -1.26 -1.02 135.00 134.78 1fr1 s PRO 208 Ca 0.12 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.22 1fr1 s PRO 208 Cb -0.12 -3.79 -0.02 0.00 0.04 0.00 0.00 34.50 30.61 1fr1 s PRO 208 CO 0.02 -0.73 -0.08 0.54 0.04 0.00 0.00 177.00 176.79 1fr1 s VAL 209 N 3.33 0.62 0.16 -0.36 0.11 0.43 -4.92 120.40 119.78 1fr1 s VAL 209 Ca 0.67 -0.88 0.10 0.00 -2.93 0.00 0.00 61.98 58.94 1fr1 s VAL 209 Cb -0.31 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1fr1 s VAL 209 CO 0.26 -0.20 -0.23 -1.00 -3.33 0.00 0.00 175.10 170.60 1fr1 s HIS 210 N -1.00 2.11 0.45 1.54 3.76 -1.26 -1.67 115.29 119.22 1fr1 s HIS 210 Ca -0.05 -0.40 -0.25 0.00 -0.15 0.00 0.00 55.06 54.21 1fr1 s HIS 210 Cb -0.08 -1.09 -0.08 0.00 1.11 0.00 0.00 32.58 32.45 1fr1 s HIS 210 CO 0.00 0.38 1.36 0.54 -0.85 0.00 0.00 174.74 176.17 1fr1 s VAL 211 N -1.53 2.33 0.33 -0.90 0.11 -1.26 -4.98 120.40 114.51 1fr1 s VAL 211 Ca 0.16 0.28 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 1fr1 s VAL 211 Cb -0.08 -3.16 -0.02 0.00 -1.53 0.00 0.00 36.38 31.59 1fr1 s VAL 211 CO 0.07 0.03 0.49 -0.94 -3.33 0.00 0.00 175.10 171.42 1fr1 s SER 212 N -0.70 6.06 0.90 3.54 1.04 -1.26 -5.08 113.70 118.20 1fr1 s SER 212 Ca 0.61 0.02 -0.10 0.00 0.48 0.00 0.00 55.95 56.96 1fr1 s SER 212 Cb -0.40 -1.52 0.14 0.00 0.10 0.00 0.00 66.02 64.34 1fr1 s SER 212 CO 0.51 -0.38 1.15 -2.84 0.98 0.00 0.00 173.24 172.66 1fr1 s PRO 213 N -4.21 1.10 -0.18 4.02 0.02 -1.26 -5.04 135.00 129.45 1fr1 s PRO 213 Ca 0.42 1.55 -0.35 0.00 0.02 0.00 0.00 61.00 62.64 1fr1 s PRO 213 Cb -0.09 -1.74 0.14 0.00 0.02 0.00 0.00 34.50 32.83 1fr1 s PRO 213 CO 0.32 -2.58 1.25 0.20 -0.33 0.00 0.00 177.00 175.87 1fr1 s GLY 214 N -2.68 -0.30 0.03 0.52 0.00 -1.26 -5.05 107.32 98.58 1fr1 s GLY 214 Ca 0.67 1.51 -0.30 0.00 0.00 0.00 0.00 44.72 46.59 1fr1 s GLY 214 CO 0.57 0.48 1.33 1.20 0.00 0.00 0.00 173.10 176.69 1fr1 s GLN 215 N -2.35 4.33 -0.97 2.90 -1.52 -1.26 -2.57 119.66 118.22 1fr1 s GLN 215 Ca 0.11 1.92 -0.02 0.00 -1.95 0.00 0.00 55.36 55.42 1fr1 s GLN 215 Cb 0.00 -3.45 0.00 0.00 -0.22 0.00 0.00 33.01 29.35 1fr1 s GLN 215 CO -0.04 -0.46 0.22 1.28 -0.25 0.00 0.00 175.29 176.04 1fr1 n LEU 216 N 4.71 -1.96 -0.00 2.90 4.77 -1.26 -4.91 117.00 121.24 1fr1 n LEU 216 Ca 0.12 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1fr1 n LEU 216 Cb 0.44 -1.95 -0.09 0.00 -2.33 0.00 0.00 43.42 39.49 1fr1 n LEU 216 CO 0.58 0.04 0.68 -2.24 -1.33 0.00 0.00 177.39 175.11 1fr1 h ASP 217 N -0.51 -0.00 -0.58 -1.43 -0.00 -1.90 -2.74 116.42 109.26 1fr1 h ASP 217 Ca -0.30 -0.40 0.02 0.00 -0.00 0.00 0.00 57.03 56.35 1fr1 h ASP 217 Cb 1.22 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.51 1fr1 h ASP 217 CO 0.34 0.40 0.36 0.00 -0.00 0.00 0.00 179.24 180.33 1fr1 h ALA 218 N 0.60 0.75 -0.27 4.15 0.00 -1.89 0.31 119.26 122.90 1fr1 h ALA 218 Ca -0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1fr1 h ALA 218 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1fr1 h ALA 218 CO 0.00 0.10 -0.17 0.93 0.00 0.00 0.00 179.25 180.10 1fr1 h GLU 219 N 0.71 0.48 0.00 0.00 3.07 -1.89 -3.35 114.58 113.60 1fr1 h GLU 219 Ca 0.23 -0.15 -0.21 0.00 -0.50 0.00 0.00 59.36 58.73 1fr1 h GLU 219 Cb 0.01 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.83 1fr1 h GLU 219 CO -0.09 0.64 -1.79 0.00 -1.40 0.00 0.00 179.01 176.37 1fr1 n ALA 220 N -2.48 1.71 -1.74 3.43 0.00 -1.03 -4.60 120.51 115.79 1fr1 n ALA 220 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1fr1 n ALA 220 Cb 0.35 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1fr1 n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1fr1 n TYR 221 N -2.71 0.00 -1.10 0.00 4.11 0.07 -4.14 117.16 113.40 1fr1 n TYR 221 Ca -0.22 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.62 1fr1 n TYR 221 Cb 0.81 0.10 0.28 0.00 -0.00 0.00 0.00 39.34 40.53 1fr1 n TYR 221 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1fr1 n GLY 222 N 0.00 3.90 3.81 -7.48 0.00 0.88 -3.71 105.19 102.60 1fr1 n GLY 222 Ca 0.00 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 1fr1 n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fr1 s VAL 223 N -3.04 4.61 -0.04 1.61 1.01 -1.26 -4.54 120.40 118.75 1fr1 s VAL 223 Ca 0.53 1.26 0.06 0.00 0.00 0.00 0.00 61.98 63.83 1fr1 s VAL 223 Cb 0.43 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1fr1 s VAL 223 CO 0.12 0.31 -0.22 -0.54 0.00 0.00 0.00 175.10 174.76 1fr1 s LYS 224 N -1.72 2.15 0.20 2.72 3.01 0.39 -2.34 119.74 124.14 1fr1 s LYS 224 Ca 0.39 -0.81 -0.17 0.00 -1.01 0.00 0.00 55.97 54.37 1fr1 s LYS 224 Cb -0.18 -1.90 0.02 0.00 -1.01 0.00 0.00 37.83 34.77 1fr1 s LYS 224 CO 0.21 0.38 0.51 0.45 0.51 0.00 0.00 175.35 177.42 1fr1 s SER 225 N -0.24 -0.24 0.42 2.83 0.15 -0.53 -0.80 113.70 115.30 1fr1 s SER 225 Ca 0.00 -0.52 0.08 0.00 0.70 0.00 0.00 55.95 56.21 1fr1 s SER 225 Cb -0.12 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1fr1 s SER 225 CO 0.02 -1.06 0.53 -0.94 1.20 0.00 0.00 173.24 172.99 1fr1 s SER 226 N -2.89 5.53 0.28 5.45 1.04 -1.21 -0.15 113.70 121.76 1fr1 s SER 226 Ca 0.10 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1fr1 s SER 226 Cb -0.01 -0.65 0.51 0.00 0.10 0.00 0.00 66.02 65.97 1fr1 s SER 226 CO -0.02 -0.73 1.86 0.58 0.98 0.00 0.00 173.24 175.91 1fr1 h VAL 227 N 0.73 0.99 -0.47 5.02 2.07 -1.70 -0.89 116.25 122.00 1fr1 h VAL 227 Ca -0.40 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 66.66 1fr1 h VAL 227 Cb 1.28 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1fr1 h VAL 227 CO 0.48 0.19 -0.07 0.40 0.02 0.00 0.00 177.57 178.59 1fr1 h ILE 228 N 1.06 1.27 -0.20 4.57 1.08 -1.94 -2.44 117.51 120.91 1fr1 h ILE 228 Ca 0.46 -1.18 -0.15 0.00 -0.39 0.00 0.00 64.86 63.60 1fr1 h ILE 228 Cb 0.35 1.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 1fr1 h ILE 228 CO -0.22 0.41 -0.46 0.44 -0.69 0.00 0.00 178.15 177.63 1fr1 h ASP 229 N 0.73 0.75 -0.96 1.72 5.19 -1.84 -1.98 116.42 120.03 1fr1 h ASP 229 Ca 0.12 -0.56 0.02 0.00 -0.62 0.00 0.00 57.03 56.00 1fr1 h ASP 229 Cb 0.61 -0.22 -0.05 0.00 0.18 0.00 0.00 39.33 39.85 1fr1 h ASP 229 CO 0.04 1.17 0.63 0.24 -3.12 0.00 0.00 179.24 178.20 1fr1 h MET 230 N 0.36 1.22 -0.39 3.56 2.86 -1.18 0.03 114.93 121.39 1fr1 h MET 230 Ca 0.00 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1fr1 h MET 230 Cb 1.06 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1fr1 h MET 230 CO 0.10 0.81 0.24 1.15 1.06 0.00 0.00 176.91 180.27 1fr1 h THR 231 N 1.25 1.12 -0.54 2.22 2.02 -1.35 0.13 112.91 117.77 1fr1 h THR 231 Ca 0.37 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1fr1 h THR 231 Cb -0.06 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1fr1 h THR 231 CO -0.10 0.12 0.21 0.03 0.37 0.00 0.00 175.52 176.14 1fr1 h ARG 232 N 0.51 0.78 -0.47 6.66 3.08 -0.55 0.33 114.38 124.73 1fr1 h ARG 232 Ca 0.14 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1fr1 h ARG 232 Cb -0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 1fr1 h ARG 232 CO -0.03 0.65 0.16 2.35 -1.07 0.00 0.00 179.97 182.03 1fr1 h TRP 233 N 0.77 0.74 -0.07 3.04 2.91 -0.55 -1.44 115.95 121.35 1fr1 h TRP 233 Ca 0.18 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.13 1fr1 h TRP 233 Cb 0.17 -0.22 -0.00 0.00 -0.51 0.00 0.00 29.16 28.60 1fr1 h TRP 233 CO 0.01 0.65 0.01 0.28 -1.03 0.00 0.00 178.44 178.36 1fr1 h VAL 234 N 0.61 1.20 -0.33 2.65 2.07 -0.43 -2.73 116.25 119.30 1fr1 h VAL 234 Ca 0.15 -0.62 0.06 0.00 0.82 0.00 0.00 66.70 67.11 1fr1 h VAL 234 Cb 0.25 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1fr1 h VAL 234 CO -0.01 0.17 -0.04 1.56 0.02 0.00 0.00 177.57 179.28 1fr1 h GLN 235 N -0.12 0.05 -0.93 1.57 4.20 -0.66 0.27 115.11 119.48 1fr1 h GLN 235 Ca 0.02 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.82 1fr1 h GLN 235 Cb 0.26 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.96 1fr1 h GLN 235 CO 0.00 0.03 0.57 0.00 -0.67 0.00 0.00 178.83 178.76 1fr1 h ALA 236 N 1.31 1.35 0.01 3.87 0.00 -1.30 -1.65 119.26 122.84 1fr1 h ALA 236 Ca 0.16 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1fr1 h ALA 236 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1fr1 h ALA 236 CO -0.30 0.23 -0.97 -0.91 0.00 0.00 0.00 179.25 177.30 1fr1 h ASN 237 N 0.96 0.03 -0.55 0.00 4.21 -1.00 -2.91 115.58 116.32 1fr1 h ASN 237 Ca 0.44 -0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.86 1fr1 h ASN 237 Cb 0.36 -0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.53 1fr1 h ASN 237 CO -0.24 0.98 0.14 -0.03 -1.29 0.00 0.00 177.43 176.99 1fr1 h MET 238 N 0.01 0.93 -1.99 0.81 4.05 0.13 -3.39 114.93 115.48 1fr1 h MET 238 Ca -0.02 -0.21 -0.27 0.00 -0.28 0.00 0.00 59.70 58.93 1fr1 h MET 238 Cb 1.70 -0.13 -0.31 0.00 -0.80 0.00 0.00 31.60 32.05 1fr1 h MET 238 CO 0.13 0.84 -0.59 0.34 0.23 0.00 0.00 176.91 177.86 1fr1 s ASP 239 N -6.54 1.12 0.57 1.39 3.68 -0.68 -4.74 116.67 111.47 1fr1 s ASP 239 Ca -0.10 -0.53 0.38 0.00 2.13 0.00 0.00 52.55 54.42 1fr1 s ASP 239 Cb 0.15 0.75 1.85 0.00 -1.45 0.00 0.00 42.92 44.22 1fr1 s ASP 239 CO 0.82 -0.37 2.13 0.00 0.13 0.00 0.00 175.17 177.88 1fr1 h ALA 240 N 8.22 1.00 -0.07 3.66 0.00 -1.72 -3.19 119.26 127.16 1fr1 h ALA 240 Ca -0.12 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1fr1 h ALA 240 Cb 1.10 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1fr1 h ALA 240 CO 0.30 0.00 0.05 1.03 0.00 0.00 0.00 179.25 180.63 1fr1 h SER 241 N 0.00 0.00 1.45 0.00 0.87 -1.92 -2.06 113.55 111.88 1fr1 h SER 241 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1fr1 h SER 241 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1fr1 h SER 241 CO 0.00 0.00 0.00 0.06 -0.53 0.00 0.00 176.83 176.36 1fr1 h GLN 242 N 0.00 0.00 -6.27 2.24 3.07 -1.91 -3.44 115.11 108.80 1fr1 h GLN 242 Ca 0.03 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.21 1fr1 h GLN 242 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.66 1fr1 h GLN 242 CO -0.00 0.00 0.63 0.08 0.09 0.00 0.00 178.83 179.63 1fr1 s VAL 243 N -3.30 4.58 0.13 1.86 1.01 -0.78 -4.96 120.40 118.95 1fr1 s VAL 243 Ca 0.06 1.87 -0.03 0.00 0.00 0.00 0.00 61.98 63.88 1fr1 s VAL 243 Cb 0.08 -4.20 -0.18 0.00 0.00 0.00 0.00 36.38 32.08 1fr1 s VAL 243 CO 0.58 -0.01 1.31 0.06 0.00 0.00 0.00 175.10 177.04 1fr1 h GLN 244 N 7.26 0.37 -6.32 2.72 3.07 -1.86 -3.43 115.11 116.92 1fr1 h GLN 244 Ca -0.31 -0.41 -0.57 0.00 0.09 0.00 0.00 58.65 57.45 1fr1 h GLN 244 Cb 1.15 0.12 -0.06 0.00 0.08 0.00 0.00 27.48 28.77 1fr1 h GLN 244 CO 0.87 1.08 0.89 -1.21 0.09 0.00 0.00 178.83 180.56 1fr1 s GLU 245 N -3.25 4.02 0.18 0.06 0.41 -1.26 -4.92 118.70 113.94 1fr1 s GLU 245 Ca -0.05 1.17 -0.13 0.00 -0.41 0.00 0.00 54.97 55.55 1fr1 s GLU 245 Cb 0.09 -3.79 0.17 0.00 -1.78 0.00 0.00 34.13 28.82 1fr1 s GLU 245 CO 0.86 -0.97 1.75 0.87 -0.49 0.00 0.00 175.26 177.28 1fr1 h LYS 246 N 8.53 0.35 -0.61 1.61 1.79 -1.99 0.39 116.57 126.64 1fr1 h LYS 246 Ca -0.23 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.19 1fr1 h LYS 246 Cb 1.08 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 31.62 1fr1 h LYS 246 CO 1.03 0.23 0.28 1.79 -1.08 0.00 0.00 179.45 181.70 1fr1 h THR 247 N 0.36 1.22 -0.44 -0.16 1.35 -1.93 -0.97 112.91 112.35 1fr1 h THR 247 Ca 0.24 -0.64 -0.10 0.00 -0.55 0.00 0.00 66.41 65.36 1fr1 h THR 247 Cb 0.25 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 1fr1 h THR 247 CO -0.24 0.26 -0.13 0.25 -0.25 0.00 0.00 175.52 175.41 1fr1 h LEU 248 N 0.84 0.87 -0.81 3.87 5.85 -1.79 0.23 115.31 124.38 1fr1 h LEU 248 Ca 0.21 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1fr1 h LEU 248 Cb 0.15 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 1fr1 h LEU 248 CO -0.02 1.05 0.51 -0.61 -0.34 0.00 0.00 178.44 179.03 1fr1 h GLN 249 N 0.69 1.08 -0.52 1.25 4.15 -0.70 0.12 115.11 121.18 1fr1 h GLN 249 Ca 0.11 -0.08 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1fr1 h GLN 249 Cb 0.67 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1fr1 h GLN 249 CO 0.05 0.73 -0.03 1.96 -1.93 0.00 0.00 178.83 179.62 1fr1 h GLN 250 N 1.10 0.94 -0.69 1.69 4.20 -0.99 -2.37 115.11 118.99 1fr1 h GLN 250 Ca 0.29 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1fr1 h GLN 250 Cb -0.09 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 1fr1 h GLN 250 CO -0.06 0.97 0.14 0.78 -0.67 0.00 0.00 178.83 179.99 1fr1 h GLY 251 N 0.81 1.20 0.95 3.46 0.00 -0.37 -0.76 103.07 108.36 1fr1 h GLY 251 Ca 0.14 -0.78 0.01 0.00 0.00 0.00 0.00 47.33 46.71 1fr1 h GLY 251 CO 0.03 0.73 0.36 -2.22 0.00 0.00 0.00 176.54 175.43 1fr1 h ILE 252 N 1.05 1.11 -0.54 2.60 2.04 -0.66 -0.17 117.51 122.94 1fr1 h ILE 252 Ca 0.21 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1fr1 h ILE 252 Cb 0.41 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1fr1 h ILE 252 CO 0.01 0.13 0.09 -0.08 0.00 0.00 0.00 178.15 178.30 1fr1 h GLU 253 N 0.72 0.89 -0.28 2.37 4.81 -1.10 -2.83 114.58 119.16 1fr1 h GLU 253 Ca 0.21 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1fr1 h GLU 253 Cb -0.04 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1fr1 h GLU 253 CO -0.06 0.86 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.80 1fr1 h LEU 254 N 0.78 0.50 -1.47 1.64 3.38 -0.95 -2.81 115.31 116.38 1fr1 h LEU 254 Ca 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1fr1 h LEU 254 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1fr1 h LEU 254 CO 0.01 0.72 -0.22 0.00 0.09 0.00 0.00 178.44 179.04 1fr1 h ALA 255 N 1.33 1.18 -0.65 1.53 0.00 -0.88 -2.57 119.26 119.19 1fr1 h ALA 255 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1fr1 h ALA 255 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1fr1 h ALA 255 CO 0.04 0.27 0.00 1.04 0.00 0.00 0.00 179.25 180.60 1fr1 n GLN 256 N -3.61 2.66 -1.72 0.00 6.02 -1.08 -1.01 117.38 118.63 1fr1 n GLN 256 Ca -0.01 -2.56 -0.29 0.00 -0.01 0.00 0.00 57.00 54.13 1fr1 n GLN 256 Cb 0.35 -1.56 0.10 0.00 1.02 0.00 0.00 30.24 30.15 1fr1 n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1fr1 s SER 257 N -1.12 4.36 -0.28 1.08 0.01 -0.97 -3.91 113.70 112.87 1fr1 s SER 257 Ca 0.47 1.00 -0.04 0.00 1.31 0.00 0.00 55.95 58.68 1fr1 s SER 257 Cb 0.25 -1.61 0.02 0.00 0.21 0.00 0.00 66.02 64.89 1fr1 s SER 257 CO 0.33 -2.02 0.01 -0.13 0.41 0.00 0.00 173.24 171.84 1fr1 s ARG 258 N -5.37 2.88 -0.21 12.44 0.52 0.16 -3.99 118.95 125.38 1fr1 s ARG 258 Ca 0.62 -0.97 0.14 0.00 -0.52 0.00 0.00 55.73 54.99 1fr1 s ARG 258 Cb -0.13 -3.18 -0.22 0.00 0.52 0.00 0.00 34.95 31.94 1fr1 s ARG 258 CO 0.52 -0.46 -0.00 0.66 0.02 0.00 0.00 175.30 176.04 1fr1 n TYR 259 N 4.75 0.00 -3.99 -0.53 4.02 -0.54 -1.52 117.16 119.35 1fr1 n TYR 259 Ca -0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.62 1fr1 n TYR 259 Cb 0.47 -0.97 -0.13 0.00 -0.02 0.00 0.00 39.34 38.70 1fr1 n TYR 259 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1fr1 s TRP 260 N -2.48 0.30 -0.19 -0.72 0.52 -1.25 0.88 118.94 115.99 1fr1 s TRP 260 Ca -0.16 -0.30 -0.03 0.00 0.02 0.00 0.00 56.10 55.64 1fr1 s TRP 260 Cb 0.07 -0.19 -0.01 0.00 -1.15 0.00 0.00 33.47 32.18 1fr1 s TRP 260 CO 0.75 -0.08 -0.06 0.50 0.02 0.00 0.00 176.95 178.07 1fr1 s ARG 261 N -0.84 3.42 -0.58 4.98 3.52 0.15 -2.18 118.95 127.42 1fr1 s ARG 261 Ca -0.07 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 1fr1 s ARG 261 Cb -0.06 -2.91 0.16 0.00 -1.56 0.00 0.00 34.95 30.58 1fr1 s ARG 261 CO -0.00 -0.04 0.40 0.42 -0.81 0.00 0.00 175.30 175.27 1fr1 s ILE 262 N 1.06 2.02 -0.07 4.11 1.09 0.11 -1.31 121.20 128.23 1fr1 s ILE 262 Ca 0.01 -3.56 -0.06 0.00 -1.10 0.00 0.00 60.65 55.94 1fr1 s ILE 262 Cb -0.15 -2.35 0.01 0.00 -1.06 0.00 0.00 42.46 38.91 1fr1 s ILE 262 CO -0.00 -1.03 0.10 0.61 -0.10 0.00 0.00 174.94 174.51 1fr1 n GLY 263 N 2.50 0.03 3.77 6.18 0.00 -1.26 -2.55 105.19 113.84 1fr1 n GLY 263 Ca 0.20 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1fr1 n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fr1 n ASP 264 N 1.08 0.00 -4.55 1.61 3.85 -1.26 -4.95 116.55 112.33 1fr1 n ASP 264 Ca -0.01 0.00 -0.33 0.00 -0.71 0.00 0.00 54.79 53.74 1fr1 n ASP 264 Cb 0.50 -0.63 -0.12 0.00 -1.35 0.00 0.00 41.12 39.53 1fr1 n ASP 264 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 1fr1 s MET 265 N -0.03 2.55 -0.01 0.11 1.75 -1.06 -4.54 119.30 118.07 1fr1 s MET 265 Ca 0.00 -0.69 0.08 0.00 -1.25 0.00 0.00 55.69 53.83 1fr1 s MET 265 Cb 0.00 -2.47 -0.02 0.00 2.84 0.00 0.00 34.83 35.18 1fr1 s MET 265 CO 0.00 0.62 -0.26 0.71 -0.65 0.00 0.00 175.02 175.44 1fr1 s TYR 266 N -0.87 2.33 -0.26 4.11 1.51 0.21 -0.71 117.35 123.68 1fr1 s TYR 266 Ca 0.14 -0.43 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 1fr1 s TYR 266 Cb -0.11 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1fr1 s TYR 266 CO 0.04 -0.01 0.22 -1.14 -1.11 0.00 0.00 175.55 173.55 1fr1 s GLN 267 N -0.71 4.03 0.00 -0.62 2.00 -0.93 -0.04 119.66 123.39 1fr1 s GLN 267 Ca 0.10 -0.21 0.00 0.00 -2.00 0.00 0.00 55.36 53.26 1fr1 s GLN 267 Cb -0.10 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.11 1fr1 s GLN 267 CO -0.01 -0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.11 1fr1 n GLY 268 N 4.60 2.53 3.25 2.59 0.00 -0.50 -1.46 105.19 116.21 1fr1 n GLY 268 Ca -0.13 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 1fr1 n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fr1 s LEU 269 N 0.00 5.99 0.00 0.99 1.43 -0.18 -4.66 118.68 122.25 1fr1 s LEU 269 Ca 0.00 -2.11 0.00 0.00 -1.03 0.00 0.00 54.13 50.99 1fr1 s LEU 269 Cb 0.00 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1fr1 s LEU 269 CO 0.00 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 176.50 1fr1 n GLY 270 N 4.70 1.60 3.78 -3.19 0.00 -1.26 -4.22 105.19 106.60 1fr1 n GLY 270 Ca -0.04 -0.11 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1fr1 n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1fr1 s TRP 271 N -0.03 2.83 -0.07 1.61 0.52 -1.26 -4.68 118.94 117.86 1fr1 s TRP 271 Ca 0.00 1.56 0.05 0.00 0.02 0.00 0.00 56.10 57.73 1fr1 s TRP 271 Cb 0.00 -3.19 -0.01 0.00 -1.15 0.00 0.00 33.47 29.12 1fr1 s TRP 271 CO 0.00 -1.22 -0.23 -1.21 0.02 0.00 0.00 176.95 174.30 1fr1 s GLU 272 N -3.22 2.62 0.17 4.98 2.02 -1.15 -1.41 118.70 122.71 1fr1 s GLU 272 Ca 0.70 -0.85 0.08 0.00 0.02 0.00 0.00 54.97 54.92 1fr1 s GLU 272 Cb -0.21 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 1fr1 s GLU 272 CO 0.24 0.28 -0.17 0.00 0.02 0.00 0.00 175.26 175.63 1fr1 s MET 273 N 0.07 1.26 0.02 1.61 0.23 0.95 -2.31 119.30 121.12 1fr1 s MET 273 Ca -0.10 -1.43 0.04 0.00 -1.03 0.00 0.00 55.69 53.17 1fr1 s MET 273 Cb -0.15 -1.23 -0.02 0.00 -1.53 0.00 0.00 34.83 31.90 1fr1 s MET 273 CO 0.05 0.24 -0.12 -0.51 -2.03 0.00 0.00 175.02 172.65 1fr1 s LEU 274 N -2.80 2.13 0.66 0.18 1.02 -0.09 -0.62 118.68 119.15 1fr1 s LEU 274 Ca 0.17 -0.37 -0.18 0.00 0.02 0.00 0.00 54.13 53.78 1fr1 s LEU 274 Cb -0.04 -0.51 -0.01 0.00 0.02 0.00 0.00 46.19 45.65 1fr1 s LEU 274 CO 0.06 0.04 1.20 0.59 0.02 0.00 0.00 176.35 178.26 1fr1 n ASN 275 N 2.19 1.62 -4.54 2.29 3.02 -1.26 0.11 115.26 118.68 1fr1 n ASN 275 Ca -0.17 0.79 -0.33 0.00 -0.03 0.00 0.00 54.58 54.84 1fr1 n ASN 275 Cb 0.55 -1.51 -0.12 0.00 -0.61 0.00 0.00 39.78 38.10 1fr1 n ASN 275 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1fr1 s TRP 276 N -1.50 2.84 0.65 3.10 -0.11 -1.00 -3.72 118.94 119.19 1fr1 s TRP 276 Ca 0.80 -0.06 -0.11 0.00 1.22 0.00 0.00 56.10 57.95 1fr1 s TRP 276 Cb -0.38 -1.66 -0.02 0.00 -1.50 0.00 0.00 33.47 29.91 1fr1 s TRP 276 CO 0.43 0.29 1.04 -1.25 -4.62 0.00 0.00 176.95 172.84 1fr1 s PRO 277 N -0.90 3.31 0.20 5.86 0.04 -1.26 -4.80 135.00 137.45 1fr1 s PRO 277 Ca 0.13 0.88 0.07 0.00 0.04 0.00 0.00 61.00 62.11 1fr1 s PRO 277 Cb -0.11 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1fr1 s PRO 277 CO 0.02 -0.80 -0.12 0.54 0.04 0.00 0.00 177.00 176.68 1fr1 s VAL 278 N -3.05 1.60 -0.16 -0.36 0.11 -1.24 -5.12 120.40 112.18 1fr1 s VAL 278 Ca 0.57 -2.17 -0.20 0.00 -2.93 0.00 0.00 61.98 57.25 1fr1 s VAL 278 Cb -0.13 -2.05 -0.03 0.00 -1.53 0.00 0.00 36.38 32.64 1fr1 s VAL 278 CO 0.52 -0.59 0.57 -0.54 -3.33 0.00 0.00 175.10 171.73 1fr1 s LYS 279 N -3.68 4.28 0.25 1.54 1.02 -1.26 -4.96 119.74 116.92 1fr1 s LYS 279 Ca 0.22 0.56 -0.06 0.00 0.02 0.00 0.00 55.97 56.71 1fr1 s LYS 279 Cb 0.00 -3.51 0.46 0.00 -0.52 0.00 0.00 37.83 34.26 1fr1 s LYS 279 CO 0.06 -0.06 1.63 0.00 -0.92 0.00 0.00 175.35 176.06 1fr1 h ALA 280 N 7.15 0.81 -0.65 5.17 0.00 -2.01 -1.22 119.26 128.51 1fr1 h ALA 280 Ca -0.36 0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1fr1 h ALA 280 Cb 1.16 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1fr1 h ALA 280 CO 0.76 -0.43 0.43 0.22 0.00 0.00 0.00 179.25 180.23 1fr1 h ASP 281 N 0.09 0.71 -0.16 0.00 1.82 -1.98 -0.74 116.42 116.16 1fr1 h ASP 281 Ca 0.43 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1fr1 h ASP 281 Cb 0.76 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.59 1fr1 h ASP 281 CO -0.69 0.50 0.10 -1.28 -1.61 0.00 0.00 179.24 176.25 1fr1 h SER 282 N 0.83 0.19 -0.14 2.28 0.87 -1.63 -0.46 113.55 115.48 1fr1 h SER 282 Ca 0.25 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.60 1fr1 h SER 282 Cb -0.01 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 61.91 1fr1 h SER 282 CO -0.06 0.18 -0.55 0.16 -0.53 0.00 0.00 176.83 176.02 1fr1 h ILE 283 N 0.18 1.33 0.27 2.23 3.07 -1.50 -2.03 117.51 121.07 1fr1 h ILE 283 Ca 0.06 -1.82 -0.01 0.00 1.55 0.00 0.00 64.86 64.63 1fr1 h ILE 283 Cb 0.02 2.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1fr1 h ILE 283 CO -0.01 0.56 -0.13 0.40 -1.05 0.00 0.00 178.15 177.92 1fr1 h ILE 284 N 0.29 0.77 0.00 0.16 2.04 -1.10 -2.70 117.51 116.96 1fr1 h ILE 284 Ca -0.03 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1fr1 h ILE 284 Cb 1.19 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1fr1 h ILE 284 CO 0.12 0.07 0.00 0.77 0.00 0.00 0.00 178.15 179.10 1fr1 h SER 285 N -0.53 0.00 0.72 1.72 4.64 -1.18 -2.70 113.55 116.22 1fr1 h SER 285 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1fr1 h SER 285 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1fr1 h SER 285 CO 0.06 0.00 -0.19 0.61 -0.87 0.00 0.00 176.83 176.44 1fr1 n GLY 286 N 0.69 -1.32 0.05 -0.77 0.00 -0.76 -3.27 105.19 99.80 1fr1 n GLY 286 Ca 0.03 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.95 1fr1 n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fr1 n SER 287 N -1.42 0.62 -4.77 1.61 3.41 -1.02 -3.89 113.62 108.16 1fr1 n SER 287 Ca 0.08 -0.06 -0.40 0.00 -0.26 0.00 0.00 58.87 58.23 1fr1 n SER 287 Cb 0.33 0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 65.01 1fr1 n SER 287 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1fr1 s ASP 288 N -4.26 6.43 0.60 4.04 2.15 -1.20 -4.49 116.67 119.94 1fr1 s ASP 288 Ca 0.02 2.81 0.29 0.00 0.43 0.00 0.00 52.55 56.11 1fr1 s ASP 288 Cb 0.13 -2.65 1.61 0.00 -0.30 0.00 0.00 42.92 41.71 1fr1 s ASP 288 CO 0.80 -0.79 2.00 0.77 -0.17 0.00 0.00 175.17 177.78 1fr1 h SER 289 N 2.97 0.00 0.37 -0.34 4.64 -1.91 0.14 113.55 119.43 1fr1 h SER 289 Ca -0.50 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.72 1fr1 h SER 289 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1fr1 h SER 289 CO 0.64 0.00 -0.45 0.07 -0.87 0.00 0.00 176.83 176.22 1fr1 h LYS 290 N 0.00 0.10 0.01 4.77 2.10 -1.92 -2.65 116.57 118.98 1fr1 h LYS 290 Ca 0.12 -0.05 -0.42 0.00 -2.00 0.00 0.00 60.65 58.30 1fr1 h LYS 290 Cb 0.77 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.04 1fr1 h LYS 290 CO -0.00 0.53 -2.42 0.28 -2.00 0.00 0.00 179.45 175.84 1fr1 n VAL 291 N -4.00 1.53 0.25 0.07 0.31 0.08 -4.34 118.33 112.24 1fr1 n VAL 291 Ca -0.02 -0.45 0.12 0.00 -0.01 0.00 0.00 64.34 63.99 1fr1 n VAL 291 Cb 0.49 -1.70 0.60 0.00 -0.91 0.00 0.00 33.84 32.31 1fr1 n VAL 291 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1fr1 h ALA 292 N -0.52 1.09 -0.05 3.52 0.00 -0.92 -3.11 119.26 119.26 1fr1 h ALA 292 Ca -0.62 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1fr1 h ALA 292 Cb 1.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.50 1fr1 h ALA 292 CO -0.26 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1fr1 n LEU 293 N -3.40 2.54 -4.84 0.00 4.77 -1.00 -4.66 117.00 110.42 1fr1 n LEU 293 Ca -0.00 -1.05 -0.32 0.00 -0.03 0.00 0.00 56.01 54.61 1fr1 n LEU 293 Cb 0.34 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1fr1 n LEU 293 CO 0.31 0.46 0.70 0.00 -1.33 0.00 0.00 177.39 177.53 1fr1 s ALA 294 N -1.47 2.97 -0.35 -1.18 0.00 -1.18 -4.74 121.76 115.82 1fr1 s ALA 294 Ca 0.22 0.11 -0.27 0.00 0.00 0.00 0.00 51.96 52.02 1fr1 s ALA 294 Cb 0.15 -3.13 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1fr1 s ALA 294 CO 0.23 -0.62 0.96 0.00 0.00 0.00 0.00 175.76 176.32 1fr1 s ALA 295 N -2.84 3.45 0.10 0.00 0.00 -1.26 -4.63 121.76 116.57 1fr1 s ALA 295 Ca 0.58 -0.32 0.10 0.00 0.00 0.00 0.00 51.96 52.32 1fr1 s ALA 295 Cb -0.12 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1fr1 s ALA 295 CO 0.43 -1.53 -0.26 -0.51 0.00 0.00 0.00 175.76 173.90 1fr1 s LEU 296 N 3.48 2.27 0.64 0.00 1.43 -0.90 -4.94 118.68 120.66 1fr1 s LEU 296 Ca 0.40 -0.69 -0.18 0.00 -1.03 0.00 0.00 54.13 52.62 1fr1 s LEU 296 Cb -0.12 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 1fr1 s LEU 296 CO 0.17 0.18 1.20 -2.65 0.23 0.00 0.00 176.35 175.48 1fr1 n PRO 297 N 1.18 1.04 -3.98 1.29 -0.02 -1.26 -1.05 135.00 132.19 1fr1 n PRO 297 Ca -0.18 0.41 -0.19 0.00 -2.02 0.00 0.00 63.50 61.52 1fr1 n PRO 297 Cb 0.53 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.42 1fr1 n PRO 297 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fr1 s ALA 298 N -1.43 0.47 -0.22 3.55 0.00 -1.18 -4.72 121.76 118.23 1fr1 s ALA 298 Ca 0.81 0.07 -0.09 0.00 0.00 0.00 0.00 51.96 52.75 1fr1 s ALA 298 Cb -0.39 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1fr1 s ALA 298 CO 0.42 -0.10 0.11 0.54 0.00 0.00 0.00 175.76 176.73 1fr1 s VAL 299 N 1.10 5.00 0.28 0.00 0.11 -0.42 -4.77 120.40 121.70 1fr1 s VAL 299 Ca -0.09 0.05 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1fr1 s VAL 299 Cb -0.14 -3.31 -0.10 0.00 -1.53 0.00 0.00 36.38 31.31 1fr1 s VAL 299 CO -0.01 0.38 1.10 -0.70 -3.33 0.00 0.00 175.10 172.53 1fr1 s GLU 300 N 0.95 4.63 -0.45 1.54 2.12 -1.26 0.31 118.70 126.54 1fr1 s GLU 300 Ca 0.06 1.80 -0.03 0.00 0.36 0.00 0.00 54.97 57.16 1fr1 s GLU 300 Cb -0.13 -3.17 0.12 0.00 0.26 0.00 0.00 34.13 31.20 1fr1 s GLU 300 CO 0.03 0.21 0.25 0.08 -0.54 0.00 0.00 175.26 175.29 1fr1 s VAL 301 N -1.18 3.35 -0.06 3.70 1.01 0.25 -4.85 120.40 122.62 1fr1 s VAL 301 Ca 0.45 -2.24 -0.02 0.00 0.00 0.00 0.00 61.98 60.17 1fr1 s VAL 301 Cb -0.32 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.81 1fr1 s VAL 301 CO 0.41 -0.73 0.03 0.21 0.00 0.00 0.00 175.10 175.02 1fr1 s ASN 302 N 1.59 1.44 0.63 3.32 2.47 -1.26 -2.64 114.94 120.48 1fr1 s ASN 302 Ca 0.10 -0.04 -0.19 0.00 0.42 0.00 0.00 52.86 53.15 1fr1 s ASN 302 Cb -0.22 -0.30 -0.02 0.00 -1.45 0.00 0.00 41.25 39.26 1fr1 s ASN 302 CO -0.04 -0.23 1.31 -2.65 -3.72 0.00 0.00 177.10 171.78 1fr1 n PRO 303 N 5.22 1.25 -1.45 0.43 -0.01 -1.26 -5.10 135.00 134.07 1fr1 n PRO 303 Ca -0.05 0.48 -0.36 0.00 -0.01 0.00 0.00 63.50 63.56 1fr1 n PRO 303 Cb 0.50 -2.55 0.08 0.00 -0.01 0.00 0.00 33.50 31.52 1fr1 n PRO 303 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 1fr1 n PRO 304 N -1.72 0.65 -3.37 0.52 -0.04 -1.08 -4.98 135.00 124.98 1fr1 n PRO 304 Ca 0.15 0.28 -0.36 0.00 -0.04 0.00 0.00 63.50 63.52 1fr1 n PRO 304 Cb 0.47 -2.26 -0.06 0.00 -0.04 0.00 0.00 33.50 31.61 1fr1 n PRO 304 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fr1 s ALA 305 N -1.71 3.60 0.78 0.55 0.00 -0.57 -4.89 121.76 119.51 1fr1 s ALA 305 Ca 0.75 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 1fr1 s ALA 305 Cb -0.36 -2.52 0.06 0.00 0.00 0.00 0.00 23.12 20.30 1fr1 s ALA 305 CO 0.48 0.45 1.08 -1.25 0.00 0.00 0.00 175.76 176.53 1fr1 s PRO 306 N -1.74 2.26 0.06 0.00 0.04 -1.26 0.36 135.00 134.72 1fr1 s PRO 306 Ca 0.35 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 61.90 1fr1 s PRO 306 Cb -0.16 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 1fr1 s PRO 306 CO 0.19 -1.55 1.39 0.00 0.04 0.00 0.00 177.00 177.07 1fr1 s ALA 307 N -3.06 3.57 0.02 8.56 0.00 -1.25 -4.64 121.76 124.96 1fr1 s ALA 307 Ca 0.60 1.01 0.04 0.00 0.00 0.00 0.00 51.96 53.62 1fr1 s ALA 307 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 23.12 19.38 1fr1 s ALA 307 CO 0.55 -0.74 -0.08 0.14 0.00 0.00 0.00 175.76 175.63 1fr1 s VAL 308 N 1.67 3.52 0.24 0.00 -7.23 -1.26 -5.03 120.40 112.32 1fr1 s VAL 308 Ca 0.64 -0.89 0.05 0.00 -1.81 0.00 0.00 61.98 59.98 1fr1 s VAL 308 Cb -0.34 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.01 1fr1 s VAL 308 CO 0.29 0.35 1.57 0.07 -0.31 0.00 0.00 175.10 177.07 1fr1 h LYS 309 N 4.39 0.20 -3.96 4.82 -0.00 -1.97 -3.34 116.57 116.71 1fr1 h LYS 309 Ca -0.48 -0.14 -0.66 0.00 -0.00 0.00 0.00 60.65 59.37 1fr1 h LYS 309 Cb 1.17 0.02 -0.00 0.00 -0.00 0.00 0.00 32.23 33.42 1fr1 h LYS 309 CO 0.53 0.74 2.95 0.00 -0.00 0.00 0.00 179.45 183.67 1fr1 n ALA 310 N -2.46 5.09 -2.44 0.07 0.00 -1.26 -1.58 120.51 117.93 1fr1 n ALA 310 Ca -0.02 -3.52 -0.08 0.00 0.00 0.00 0.00 53.44 49.82 1fr1 n ALA 310 Cb 0.62 -3.50 -0.08 0.00 0.00 0.00 0.00 19.45 16.48 1fr1 n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1fr1 s SER 311 N 3.61 0.21 -0.38 0.00 0.01 -1.26 -2.39 113.70 113.50 1fr1 s SER 311 Ca 0.52 -0.77 -0.04 0.00 1.31 0.00 0.00 55.95 56.97 1fr1 s SER 311 Cb 0.14 0.31 0.09 0.00 0.21 0.00 0.00 66.02 66.77 1fr1 s SER 311 CO -0.02 -0.71 0.17 0.86 0.41 0.00 0.00 173.24 173.95 1fr1 s TRP 312 N -3.89 3.45 -0.15 2.43 -0.11 0.30 -4.15 118.94 116.81 1fr1 s TRP 312 Ca 0.07 -2.05 -0.07 0.00 1.22 0.00 0.00 56.10 55.27 1fr1 s TRP 312 Cb 0.06 -2.88 -0.04 0.00 -1.50 0.00 0.00 33.47 29.10 1fr1 s TRP 312 CO -0.09 -0.90 0.10 0.08 -4.62 0.00 0.00 176.95 171.52 1fr1 s VAL 313 N 1.24 5.14 0.10 5.86 1.01 -0.72 -0.91 120.40 132.13 1fr1 s VAL 313 Ca 0.04 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.84 1fr1 s VAL 313 Cb -0.22 -3.28 0.08 0.00 0.00 0.00 0.00 36.38 32.96 1fr1 s VAL 313 CO -0.02 0.53 0.80 -1.38 0.00 0.00 0.00 175.10 175.03 1fr1 s HIS 314 N -0.31 -0.35 -0.19 5.22 -3.43 -0.98 -0.49 115.29 114.76 1fr1 s HIS 314 Ca 0.10 0.13 -0.13 0.00 -0.80 0.00 0.00 55.06 54.36 1fr1 s HIS 314 Cb -0.12 0.58 0.06 0.00 -1.43 0.00 0.00 32.58 31.67 1fr1 s HIS 314 CO 0.01 -0.76 0.48 0.21 -2.00 0.00 0.00 174.74 172.68 1fr1 s LYS 315 N -3.42 0.50 0.14 -0.38 2.47 -0.76 -2.93 119.74 115.35 1fr1 s LYS 315 Ca 0.06 0.80 -0.01 0.00 -1.56 0.00 0.00 55.97 55.25 1fr1 s LYS 315 Cb -0.02 0.12 -0.04 0.00 -1.46 0.00 0.00 37.83 36.43 1fr1 s LYS 315 CO -0.07 -0.12 0.32 0.95 0.16 0.00 0.00 175.35 176.60 1fr1 s THR 316 N 0.97 5.26 -0.13 3.43 -4.23 -1.26 -2.33 115.64 117.35 1fr1 s THR 316 Ca -0.06 -0.28 -0.21 0.00 -1.18 0.00 0.00 61.69 59.96 1fr1 s THR 316 Cb -0.06 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.16 1fr1 s THR 316 CO -0.08 -0.01 0.52 -0.83 -0.54 0.00 0.00 174.62 173.68 1fr1 s GLY 317 N -2.75 -0.39 0.10 3.99 0.00 -0.87 -4.01 107.32 103.39 1fr1 s GLY 317 Ca 0.38 1.21 -0.07 0.00 0.00 0.00 0.00 44.72 46.24 1fr1 s GLY 317 CO 0.27 0.96 0.16 -0.56 0.00 0.00 0.00 173.10 173.94 1fr1 s SER 318 N -0.41 0.18 0.34 1.64 0.01 -1.26 -0.54 113.70 113.66 1fr1 s SER 318 Ca -0.06 -0.81 0.05 0.00 1.31 0.00 0.00 55.95 56.44 1fr1 s SER 318 Cb -0.03 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.50 1fr1 s SER 318 CO 0.04 -0.75 0.20 0.42 0.41 0.00 0.00 173.24 173.56 1fr1 s THR 319 N -3.91 0.26 0.23 1.44 -4.23 -0.41 -3.95 115.64 105.08 1fr1 s THR 319 Ca 0.10 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.54 1fr1 s THR 319 Cb 0.05 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.63 1fr1 s THR 319 CO -0.07 0.00 1.72 1.23 -0.54 0.00 0.00 174.62 176.96 1fr1 h GLY 320 N 2.07 0.99 -1.32 3.99 0.00 -1.95 -3.04 103.07 103.81 1fr1 h GLY 320 Ca -0.31 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1fr1 h GLY 320 CO 0.47 -0.10 -0.31 0.61 0.00 0.00 0.00 176.54 177.21 1fr1 n GLY 321 N -1.32 0.37 3.04 4.60 0.00 -1.26 -4.61 105.19 106.01 1fr1 n GLY 321 Ca 0.12 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1fr1 n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fr1 s PHE 322 N -2.31 0.56 -0.08 1.61 0.08 -1.15 -2.29 117.98 114.41 1fr1 s PHE 322 Ca 0.22 -0.54 -0.00 0.00 0.12 0.00 0.00 56.93 56.72 1fr1 s PHE 322 Cb 0.19 -0.35 0.02 0.00 -0.57 0.00 0.00 43.02 42.31 1fr1 s PHE 322 CO 0.48 -0.12 -0.04 0.20 -0.10 0.00 0.00 175.22 175.63 1fr1 s GLY 323 N -1.64 0.61 0.12 4.36 0.00 -0.67 -1.28 107.32 108.81 1fr1 s GLY 323 Ca -0.10 -0.27 0.08 0.00 0.00 0.00 0.00 44.72 44.43 1fr1 s GLY 323 CO -0.00 0.80 -0.20 -0.56 0.00 0.00 0.00 173.10 173.14 1fr1 s SER 324 N 1.56 2.52 -0.17 1.64 0.01 0.30 -0.93 113.70 118.63 1fr1 s SER 324 Ca -0.00 -0.73 -0.14 0.00 1.31 0.00 0.00 55.95 56.39 1fr1 s SER 324 Cb -0.13 -0.14 0.05 0.00 0.21 0.00 0.00 66.02 66.01 1fr1 s SER 324 CO -0.04 0.02 0.44 -0.47 0.41 0.00 0.00 173.24 173.59 1fr1 s TYR 325 N -1.42 -0.51 -0.03 2.43 6.04 -0.29 -2.05 117.35 121.52 1fr1 s TYR 325 Ca 0.08 1.20 -0.02 0.00 0.04 0.00 0.00 57.07 58.37 1fr1 s TYR 325 Cb -0.09 0.19 0.01 0.00 -1.04 0.00 0.00 41.96 41.03 1fr1 s TYR 325 CO 0.05 -0.25 0.07 0.08 -1.54 0.00 0.00 175.55 173.95 1fr1 s VAL 326 N 0.43 -0.00 0.03 3.14 1.01 -0.98 -0.35 120.40 123.67 1fr1 s VAL 326 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1fr1 s VAL 326 Cb -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.26 1fr1 s VAL 326 CO -0.02 0.00 0.29 0.00 0.00 0.00 0.00 175.10 175.37 1fr1 s ALA 327 N 0.06 -0.67 0.01 5.51 0.00 -0.83 -1.84 121.76 124.00 1fr1 s ALA 327 Ca -0.00 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.76 1fr1 s ALA 327 Cb -0.01 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.42 1fr1 s ALA 327 CO -0.00 -0.36 0.59 -0.59 0.00 0.00 0.00 175.76 175.40 1fr1 s PHE 328 N -2.18 -0.53 -0.39 0.00 -0.71 0.36 -0.71 117.98 113.82 1fr1 s PHE 328 Ca -0.08 0.76 0.02 0.00 -1.04 0.00 0.00 56.93 56.59 1fr1 s PHE 328 Cb -0.02 0.37 0.11 0.00 -1.21 0.00 0.00 43.02 42.27 1fr1 s PHE 328 CO -0.01 -0.62 0.14 0.08 -1.34 0.00 0.00 175.22 173.46 1fr1 s VAL 329 N -1.86 1.80 0.22 -2.49 1.01 0.24 -1.75 120.40 117.56 1fr1 s VAL 329 Ca -0.08 -2.33 -0.11 0.00 0.00 0.00 0.00 61.98 59.46 1fr1 s VAL 329 Cb -0.01 -2.30 0.24 0.00 0.00 0.00 0.00 36.38 34.31 1fr1 s VAL 329 CO 0.03 -0.72 1.64 -0.65 0.00 0.00 0.00 175.10 175.40 1fr1 h PRO 330 N 7.34 0.06 -0.75 2.72 0.11 -1.72 0.38 132.00 140.14 1fr1 h PRO 330 Ca -0.07 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.16 1fr1 h PRO 330 Cb 0.97 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 1fr1 h PRO 330 CO 0.53 0.04 0.49 1.49 -0.21 0.00 0.00 178.00 180.35 1fr1 h GLU 331 N 0.06 0.54 -0.01 1.05 4.81 -1.60 -1.06 114.58 118.38 1fr1 h GLU 331 Ca 0.34 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1fr1 h GLU 331 Cb 0.56 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1fr1 h GLU 331 CO -0.62 0.36 -0.55 1.63 -0.73 0.00 0.00 179.01 179.10 1fr1 n LYS 332 N -4.50 0.92 -3.69 1.92 4.76 -0.42 -4.98 118.16 112.17 1fr1 n LYS 332 Ca 0.13 -0.74 -0.26 0.00 -2.87 0.00 0.00 58.31 54.58 1fr1 n LYS 332 Cb 0.41 -1.48 0.03 0.00 -1.84 0.00 0.00 35.03 32.15 1fr1 n LYS 332 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1fr1 n ASN 333 N -0.39 -3.35 -4.02 4.39 5.15 -0.01 -4.43 115.26 112.59 1fr1 n ASN 333 Ca 0.09 -0.93 -0.14 0.00 -0.60 0.00 0.00 54.58 53.00 1fr1 n ASN 333 Cb 0.43 -3.71 -0.12 0.00 -0.53 0.00 0.00 39.78 35.84 1fr1 n ASN 333 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1fr1 s LEU 334 N -6.51 2.17 0.24 1.20 2.96 -1.17 -2.17 118.68 115.41 1fr1 s LEU 334 Ca 0.25 -0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 53.57 1fr1 s LEU 334 Cb -0.08 -0.20 0.07 0.00 0.50 0.00 0.00 46.19 46.48 1fr1 s LEU 334 CO 0.84 -0.11 0.95 -0.83 -1.32 0.00 0.00 176.35 175.88 1fr1 s GLY 335 N -1.05 0.14 -0.12 7.98 0.00 -0.53 -0.59 107.32 113.14 1fr1 s GLY 335 Ca -0.06 -0.41 -0.18 0.00 0.00 0.00 0.00 44.72 44.07 1fr1 s GLY 335 CO 0.00 1.30 0.47 -1.50 0.00 0.00 0.00 173.10 173.37 1fr1 s ILE 336 N -2.38 0.01 -0.10 0.90 2.07 0.12 -1.56 121.20 120.25 1fr1 s ILE 336 Ca 0.19 -0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.33 1fr1 s ILE 336 Cb -0.03 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.86 1fr1 s ILE 336 CO 0.07 -0.07 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.15 1fr1 s VAL 337 N -0.36 1.75 -0.23 4.00 1.01 -0.15 -1.97 120.40 124.46 1fr1 s VAL 337 Ca -0.05 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1fr1 s VAL 337 Cb -0.03 -1.55 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1fr1 s VAL 337 CO 0.03 0.49 -0.08 -0.04 0.00 0.00 0.00 175.10 175.50 1fr1 s MET 338 N 0.66 1.88 -0.17 2.72 -1.94 0.53 -1.45 119.30 121.52 1fr1 s MET 338 Ca -0.13 -1.02 0.00 0.00 -1.71 0.00 0.00 55.69 52.83 1fr1 s MET 338 Cb -0.16 -2.60 0.01 0.00 2.01 0.00 0.00 34.83 34.08 1fr1 s MET 338 CO 0.03 -0.54 -0.16 -0.51 -0.01 0.00 0.00 175.02 173.84 1fr1 s LEU 339 N 1.33 2.39 0.07 -0.03 1.43 0.38 -1.13 118.68 123.12 1fr1 s LEU 339 Ca -0.05 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.58 1fr1 s LEU 339 Cb -0.18 -1.55 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1fr1 s LEU 339 CO -0.07 0.04 -0.17 0.00 0.23 0.00 0.00 176.35 176.38 1fr1 s ALA 340 N 1.10 1.48 -0.80 4.21 0.00 -0.10 -1.38 121.76 126.26 1fr1 s ALA 340 Ca 0.00 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1fr1 s ALA 340 Cb -0.14 -0.21 0.38 0.00 0.00 0.00 0.00 23.12 23.14 1fr1 s ALA 340 CO -0.05 0.28 2.03 0.27 0.00 0.00 0.00 175.76 178.29 1fr1 n ASN 341 N 1.49 7.57 -3.64 0.00 6.94 -1.08 -1.66 115.26 124.88 1fr1 n ASN 341 Ca -0.19 -3.83 -0.08 0.00 -0.02 0.00 0.00 54.58 50.47 1fr1 n ASN 341 Cb 0.54 -1.04 -0.07 0.00 -2.36 0.00 0.00 39.78 36.85 1fr1 n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1fr1 s LYS 342 N -4.01 0.56 -0.25 -3.83 2.20 -0.97 -2.37 119.74 111.06 1fr1 s LYS 342 Ca 0.56 0.79 -0.24 0.00 -0.36 0.00 0.00 55.97 56.72 1fr1 s LYS 342 Cb 0.46 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.97 1fr1 s LYS 342 CO -0.30 -0.09 0.78 0.45 -0.36 0.00 0.00 175.35 175.83 1fr1 s SER 343 N 0.82 6.76 0.28 1.43 0.15 -1.26 -2.82 113.70 119.07 1fr1 s SER 343 Ca -0.03 0.92 0.06 0.00 0.70 0.00 0.00 55.95 57.60 1fr1 s SER 343 Cb -0.05 -2.41 -0.06 0.00 -1.71 0.00 0.00 66.02 61.79 1fr1 s SER 343 CO -0.10 -0.50 -0.03 -0.72 1.20 0.00 0.00 173.24 173.09 1fr1 s TYR 344 N 2.79 1.92 0.26 3.44 -0.85 -1.26 -4.95 117.35 118.70 1fr1 s TYR 344 Ca 0.33 -0.77 -0.30 0.00 -0.52 0.00 0.00 57.07 55.81 1fr1 s TYR 344 Cb -0.15 -1.13 -0.14 0.00 0.38 0.00 0.00 41.96 40.91 1fr1 s TYR 344 CO 0.08 0.20 1.14 -2.30 -1.52 0.00 0.00 175.55 173.15 1fr1 n PRO 345 N -0.59 1.50 0.15 -3.49 -0.02 -1.26 -4.89 135.00 126.40 1fr1 n PRO 345 Ca -0.05 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1fr1 n PRO 345 Cb 0.64 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 1fr1 n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1fr1 h ASN 346 N 2.75 -0.71 -0.30 2.55 2.35 -1.99 -2.20 115.58 118.03 1fr1 h ASN 346 Ca -0.42 0.07 0.09 0.00 -0.55 0.00 0.00 56.30 55.49 1fr1 h ASN 346 Cb 1.32 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.94 1fr1 h ASN 346 CO 0.66 -0.36 0.26 -0.65 -1.65 0.00 0.00 177.43 175.69 1fr1 h PRO 347 N -0.51 0.00 -0.02 0.81 0.11 -1.80 -0.68 132.00 129.91 1fr1 h PRO 347 Ca 0.01 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.90 1fr1 h PRO 347 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1fr1 h PRO 347 CO -0.10 0.00 -0.92 0.28 -0.21 0.00 0.00 178.00 177.05 1fr1 h VAL 348 N 0.00 1.38 0.79 3.15 2.07 -1.77 -1.34 116.25 120.53 1fr1 h VAL 348 Ca 0.14 -2.37 -0.04 0.00 0.82 0.00 0.00 66.70 65.25 1fr1 h VAL 348 Cb 0.67 2.36 0.01 0.00 -1.52 0.00 0.00 31.29 32.80 1fr1 h VAL 348 CO -0.00 0.71 -0.39 0.03 0.02 0.00 0.00 177.57 177.94 1fr1 h ARG 349 N 0.27 -1.04 -0.64 1.57 3.08 -0.93 -1.84 114.38 114.84 1fr1 h ARG 349 Ca -0.08 0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1fr1 h ARG 349 Cb 1.55 0.24 -0.03 0.00 0.08 0.00 0.00 29.97 31.80 1fr1 h ARG 349 CO 0.16 -0.69 0.42 0.28 -1.07 0.00 0.00 179.97 179.07 1fr1 h VAL 350 N -1.08 1.15 -0.49 2.04 2.07 -1.33 -1.65 116.25 116.96 1fr1 h VAL 350 Ca -0.11 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1fr1 h VAL 350 Cb 0.83 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1fr1 h VAL 350 CO 0.17 0.16 0.24 -0.08 0.02 0.00 0.00 177.57 178.07 1fr1 h GLU 351 N 0.85 0.70 -0.39 1.57 4.81 -1.30 -1.76 114.58 119.06 1fr1 h GLU 351 Ca 0.24 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1fr1 h GLU 351 Cb -0.08 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1fr1 h GLU 351 CO -0.06 0.58 -0.20 0.00 -0.73 0.00 0.00 179.01 178.60 1fr1 h ALA 352 N 1.08 0.93 -0.10 2.92 0.00 -1.00 -2.30 119.26 120.78 1fr1 h ALA 352 Ca 0.17 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fr1 h ALA 352 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1fr1 h ALA 352 CO -0.02 0.62 0.06 0.00 0.00 0.00 0.00 179.25 179.90 1fr1 h ALA 353 N 1.12 0.13 -0.53 0.00 0.00 -1.21 -2.45 119.26 116.32 1fr1 h ALA 353 Ca 0.10 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1fr1 h ALA 353 Cb 0.69 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1fr1 h ALA 353 CO 0.05 -0.39 0.32 2.35 0.00 0.00 0.00 179.25 181.58 1fr1 h TRP 354 N 0.12 0.60 0.20 0.00 2.91 -1.17 -1.42 115.95 117.19 1fr1 h TRP 354 Ca 0.04 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.09 1fr1 h TRP 354 Cb -0.00 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.42 1fr1 h TRP 354 CO -0.08 0.34 -0.37 0.00 -1.03 0.00 0.00 178.44 177.30 1fr1 h ARG 355 N 0.63 -0.63 -0.11 2.65 3.08 -1.29 0.17 114.38 118.89 1fr1 h ARG 355 Ca 0.21 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.34 1fr1 h ARG 355 Cb 0.02 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 1fr1 h ARG 355 CO -0.09 -0.42 -0.14 0.82 -1.07 0.00 0.00 179.97 179.06 1fr1 h ILE 356 N -0.66 0.62 0.00 2.04 2.04 -1.25 -3.01 117.51 117.30 1fr1 h ILE 356 Ca 0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.78 1fr1 h ILE 356 Cb 0.65 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1fr1 h ILE 356 CO -0.17 0.00 -0.43 -0.07 0.00 0.00 0.00 178.15 177.48 1fr1 h LEU 357 N -0.18 0.00 -0.71 1.44 3.38 -0.99 -3.12 115.31 115.12 1fr1 h LEU 357 Ca 0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 1fr1 h LEU 357 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1fr1 h LEU 357 CO -0.22 0.43 -0.21 -0.08 0.09 0.00 0.00 178.44 178.45 1fr1 h GLU 358 N 0.00 0.76 0.00 1.13 4.81 -0.54 -2.27 114.58 118.47 1fr1 h GLU 358 Ca -0.00 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1fr1 h GLU 358 Cb 0.93 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 1fr1 h GLU 358 CO 0.06 0.91 -0.08 0.87 -0.73 0.00 0.00 179.01 180.03 1fr1 h LYS 359 N 0.67 0.00 -0.45 1.92 1.79 -1.47 -2.53 116.57 116.49 1fr1 h LYS 359 Ca 0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 1fr1 h LYS 359 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1fr1 h LYS 359 CO 0.06 0.08 0.00 1.28 -1.08 0.00 0.00 179.45 179.79 1fr1 n LEU 360 N -3.28 3.40 -0.12 2.94 4.77 -0.89 -5.13 117.00 118.69 1fr1 n LEU 360 Ca -0.00 -1.68 0.01 0.00 -0.03 0.00 0.00 56.01 54.31 1fr1 n LEU 360 Cb 0.30 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1fr1 n LEU 360 CO 0.28 0.78 0.30 0.00 -1.33 0.00 0.00 177.39 177.42