#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1afr s PRO 20 N 0.00 4.19 -0.09 2.12 0.02 -1.26 -4.92 135.00 135.06 1afr s PRO 20 Ca 0.00 2.46 -0.29 0.00 0.02 0.00 0.00 61.00 63.18 1afr s PRO 20 Cb 0.00 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 1afr s PRO 20 CO 0.00 -0.53 1.73 -2.14 -0.33 0.00 0.00 177.00 175.73 1afr s PRO 21 N -0.56 4.02 0.53 5.54 0.02 -1.26 -5.00 135.00 138.29 1afr s PRO 21 Ca 0.61 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.77 1afr s PRO 21 Cb -0.45 -4.05 0.03 0.00 0.02 0.00 0.00 34.50 30.05 1afr s PRO 21 CO 0.47 -1.04 0.76 1.03 -0.33 0.00 0.00 177.00 177.88 1afr s ARG 22 N 4.39 2.65 0.15 5.54 0.52 -1.26 -4.81 118.95 126.13 1afr s ARG 22 Ca 0.77 -0.72 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 1afr s ARG 22 Cb -0.33 -2.50 -0.08 0.00 0.52 0.00 0.00 34.95 32.56 1afr s ARG 22 CO 0.32 -0.63 1.27 -1.21 0.02 0.00 0.00 175.30 175.07 1afr s GLU 23 N -4.72 4.41 -0.08 3.54 0.41 -1.26 -4.93 118.70 116.07 1afr s GLU 23 Ca 0.55 1.95 0.20 0.00 -0.41 0.00 0.00 54.97 57.27 1afr s GLU 23 Cb -0.10 -3.25 0.71 0.00 -1.78 0.00 0.00 34.13 29.71 1afr s GLU 23 CO 0.38 -0.25 1.62 1.33 -0.49 0.00 0.00 175.26 177.85 1afr n VAL 24 N 3.13 1.60 -4.25 2.63 0.24 -1.26 -4.93 118.33 115.49 1afr n VAL 24 Ca 0.07 -1.14 -0.31 0.00 -2.04 0.00 0.00 64.34 60.92 1afr n VAL 24 Cb 0.44 0.24 -0.09 0.00 -1.47 0.00 0.00 33.84 32.96 1afr n VAL 24 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1afr s HIS 25 N -1.60 2.97 0.81 6.34 3.76 -1.26 -5.11 115.29 121.20 1afr s HIS 25 Ca 0.51 -0.01 -0.11 0.00 -0.15 0.00 0.00 55.06 55.30 1afr s HIS 25 Cb 0.31 -1.58 0.08 0.00 1.11 0.00 0.00 32.58 32.51 1afr s HIS 25 CO 0.28 0.45 1.13 0.14 -0.85 0.00 0.00 174.74 175.89 1afr s VAL 26 N -1.17 2.66 -0.35 -0.90 -7.23 -1.26 -5.00 120.40 107.15 1afr s VAL 26 Ca 0.22 0.24 -0.12 0.00 -1.81 0.00 0.00 61.98 60.50 1afr s VAL 26 Cb -0.11 -2.56 -0.00 0.00 0.56 0.00 0.00 36.38 34.26 1afr s VAL 26 CO 0.13 -0.26 0.23 -1.58 -0.31 0.00 0.00 175.10 173.32 1afr s GLN 27 N -4.57 3.25 -0.13 4.82 0.74 -1.26 -5.06 119.66 117.45 1afr s GLN 27 Ca 0.66 -0.81 0.02 0.00 0.05 0.00 0.00 55.36 55.29 1afr s GLN 27 Cb -0.22 -3.78 0.01 0.00 1.10 0.00 0.00 33.01 30.12 1afr s GLN 27 CO 0.54 -0.54 -0.21 0.08 -0.55 0.00 0.00 175.29 174.60 1afr s VAL 28 N 1.67 2.15 0.13 1.34 1.01 -1.26 -5.13 120.40 120.31 1afr s VAL 28 Ca 0.05 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.18 1afr s VAL 28 Cb -0.18 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1afr s VAL 28 CO 0.09 0.55 -0.26 0.42 0.00 0.00 0.00 175.10 175.90 1afr s THR 29 N 0.72 2.34 -1.38 3.92 -4.23 -1.26 -4.45 115.64 111.30 1afr s THR 29 Ca -0.09 -1.75 -0.02 0.00 -1.18 0.00 0.00 61.69 58.65 1afr s THR 29 Cb -0.16 -2.05 0.02 0.00 1.34 0.00 0.00 72.50 71.65 1afr s THR 29 CO 0.00 0.08 0.66 1.41 -0.54 0.00 0.00 174.62 176.23 1afr n HIS 30 N 0.85 -1.88 1.40 3.99 8.25 -0.87 -4.89 115.22 122.06 1afr n HIS 30 Ca -0.17 0.82 0.03 0.00 -0.26 0.00 0.00 57.72 58.14 1afr n HIS 30 Cb 0.53 -4.12 0.19 0.00 1.12 0.00 0.00 29.99 27.71 1afr n HIS 30 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1afr n SER 31 N -3.00 0.00 -4.73 0.41 3.41 -0.96 -4.76 113.62 103.99 1afr n SER 31 Ca -0.25 -1.20 -0.35 0.00 -0.26 0.00 0.00 58.87 56.80 1afr n SER 31 Cb 0.66 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.53 1afr n SER 31 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1afr s MET 32 N -2.00 4.18 -0.30 4.33 0.00 -1.26 -5.01 119.30 119.24 1afr s MET 32 Ca 0.09 -0.13 -0.35 0.00 0.00 0.00 0.00 55.69 55.30 1afr s MET 32 Cb 0.04 -3.41 -0.12 0.00 0.00 0.00 0.00 34.83 31.34 1afr s MET 32 CO 0.07 0.30 2.09 -2.30 0.00 0.00 0.00 175.02 175.19 1afr n PRO 33 N 3.48 1.27 -0.40 4.11 -0.02 -1.26 -4.80 135.00 137.38 1afr n PRO 33 Ca -0.15 0.38 0.39 0.00 -2.02 0.00 0.00 63.50 62.10 1afr n PRO 33 Cb 0.52 -2.47 0.70 0.00 -0.02 0.00 0.00 33.50 32.23 1afr n PRO 33 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1afr h PRO 34 N 11.41 0.00 0.00 0.52 0.11 -1.95 0.14 132.00 142.23 1afr h PRO 34 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1afr h PRO 34 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1afr h PRO 34 CO 1.00 0.00 0.00 -0.56 -0.21 0.00 0.00 178.00 178.23 1afr h GLN 35 N 0.00 0.00 0.00 1.05 -0.00 -2.04 -3.12 115.11 110.99 1afr h GLN 35 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.30 1afr h GLN 35 Cb 2.88 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 30.36 1afr h GLN 35 CO -0.01 0.00 0.00 1.63 -0.00 0.00 0.00 178.83 180.45 1afr n LYS 36 N -2.53 0.04 -0.22 0.06 5.02 0.49 -3.34 118.16 117.68 1afr n LYS 36 Ca 0.04 0.12 0.06 0.00 -2.02 0.00 0.00 58.31 56.51 1afr n LYS 36 Cb 0.37 -1.56 0.32 0.00 -0.02 0.00 0.00 35.03 34.15 1afr n LYS 36 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1afr h ILE 37 N 0.00 1.02 -0.73 -0.18 2.04 -1.72 -1.76 117.51 116.18 1afr h ILE 37 Ca 0.00 -0.28 0.15 0.00 1.00 0.00 0.00 64.86 65.73 1afr h ILE 37 Cb 0.45 0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 1afr h ILE 37 CO 0.00 0.15 0.49 -0.33 0.00 0.00 0.00 178.15 178.46 1afr h GLU 38 N 0.83 0.36 -0.89 2.37 4.39 -1.81 -1.18 114.58 118.64 1afr h GLU 38 Ca 0.34 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.07 1afr h GLU 38 Cb 0.26 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 1afr h GLU 38 CO -0.12 0.24 0.56 0.82 -1.16 0.00 0.00 179.01 179.35 1afr h ILE 39 N 0.37 1.08 0.00 3.13 2.04 -1.56 0.60 117.51 123.17 1afr h ILE 39 Ca 0.36 -0.36 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1afr h ILE 39 Cb 0.87 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1afr h ILE 39 CO -0.11 0.19 -0.80 -0.26 0.00 0.00 0.00 178.15 177.17 1afr h PHE 40 N 1.05 0.02 -0.11 1.37 0.04 -1.36 -0.23 116.94 117.73 1afr h PHE 40 Ca 0.38 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 61.03 1afr h PHE 40 Cb 0.12 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 1afr h PHE 40 CO -0.02 0.81 -0.43 0.87 -0.60 0.00 0.00 178.31 178.94 1afr h LYS 41 N 0.01 0.25 0.14 1.51 1.79 -0.94 -3.04 116.57 116.29 1afr h LYS 41 Ca -0.01 -0.12 -0.28 0.00 -2.18 0.00 0.00 60.65 58.05 1afr h LYS 41 Cb 1.42 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 32.10 1afr h LYS 41 CO 0.11 0.64 -1.20 0.77 -1.08 0.00 0.00 179.45 178.69 1afr h SER 42 N 0.21 0.80 0.00 0.86 0.02 -0.70 -3.27 113.55 111.47 1afr h SER 42 Ca 0.02 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.11 1afr h SER 42 Cb 0.85 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1afr h SER 42 CO 0.07 1.58 0.00 0.18 -1.14 0.00 0.00 176.83 177.52 1afr n LEU 43 N -3.85 0.00 -0.21 5.07 4.77 -0.12 -4.13 117.00 118.53 1afr n LEU 43 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1afr n LEU 43 Cb 0.97 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 42.17 1afr n LEU 43 CO 0.57 0.00 1.01 -0.78 -1.33 0.00 0.00 177.39 176.85 1afr h ASP 44 N 0.00 0.29 0.96 -1.43 3.58 -1.59 -1.28 116.42 116.95 1afr h ASP 44 Ca 0.00 0.07 -0.21 0.00 0.42 0.00 0.00 57.03 57.31 1afr h ASP 44 Cb 0.00 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 1afr h ASP 44 CO 0.00 0.17 -1.00 -1.13 -2.88 0.00 0.00 179.24 174.40 1afr h ASN 45 N 0.46 0.03 -0.39 2.28 -0.73 -1.88 -2.64 115.58 112.71 1afr h ASN 45 Ca 0.31 -0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 1afr h ASN 45 Cb 0.37 -0.01 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 1afr h ASN 45 CO -0.29 1.01 0.23 -0.25 -0.37 0.00 0.00 177.43 177.76 1afr h TRP 46 N 0.01 0.51 -0.31 0.67 7.01 -1.75 -0.79 115.95 121.29 1afr h TRP 46 Ca -0.02 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.95 1afr h TRP 46 Cb 1.76 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 28.63 1afr h TRP 46 CO 0.00 0.37 0.08 0.00 -2.79 0.00 0.00 178.44 176.11 1afr h ALA 47 N 1.10 1.56 -0.63 2.65 0.00 -1.25 0.23 119.26 122.91 1afr h ALA 47 Ca 0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1afr h ALA 47 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1afr h ALA 47 CO -0.03 0.34 0.09 1.49 0.00 0.00 0.00 179.25 181.14 1afr h GLU 48 N 0.45 1.04 0.09 0.00 4.81 -0.93 0.84 114.58 120.88 1afr h GLU 48 Ca 0.11 -0.28 -0.26 0.00 -0.13 0.00 0.00 59.36 58.80 1afr h GLU 48 Cb 0.17 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.43 1afr h GLU 48 CO -0.00 0.97 -1.15 0.93 -0.73 0.00 0.00 179.01 179.02 1afr h GLU 49 N 0.98 0.36 0.00 1.92 5.08 0.24 -3.35 114.58 119.81 1afr h GLU 49 Ca 0.19 -0.51 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1afr h GLU 49 Cb 0.44 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1afr h GLU 49 CO 0.01 1.20 -1.56 0.09 -1.00 0.00 0.00 179.01 177.76 1afr n ASN 50 N -3.64 2.60 -0.07 1.42 3.02 0.65 -4.63 115.26 114.61 1afr n ASN 50 Ca -0.09 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.41 1afr n ASN 50 Cb 0.96 1.17 -0.02 0.00 -0.61 0.00 0.00 39.78 41.28 1afr n ASN 50 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1afr n ILE 51 N -2.07 1.38 0.00 2.41 2.08 0.18 -4.36 119.36 118.97 1afr n ILE 51 Ca -0.08 0.21 0.00 0.00 0.56 0.00 0.00 62.75 63.44 1afr n ILE 51 Cb 0.50 -2.35 0.00 0.00 -0.75 0.00 0.00 39.64 37.05 1afr n ILE 51 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 1afr n LEU 52 N -4.48 0.00 0.05 1.39 4.77 -0.53 -0.63 117.00 117.57 1afr n LEU 52 Ca -0.08 0.20 0.13 0.00 -0.03 0.00 0.00 56.01 56.22 1afr n LEU 52 Cb 0.31 -0.20 0.35 0.00 -2.33 0.00 0.00 43.42 41.56 1afr n LEU 52 CO 0.13 -0.20 0.66 1.33 -1.33 0.00 0.00 177.39 177.98 1afr n VAL 53 N -1.18 0.28 1.68 4.08 0.24 -1.26 -3.54 118.33 118.63 1afr n VAL 53 Ca 0.00 -0.17 0.15 0.00 -2.04 0.00 0.00 64.34 62.28 1afr n VAL 53 Cb 0.02 -0.27 0.68 0.00 -1.47 0.00 0.00 33.84 32.79 1afr n VAL 53 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1afr n HIS 54 N -1.91 0.01 -3.31 6.34 8.25 0.20 -4.81 115.22 119.99 1afr n HIS 54 Ca 0.05 -0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 1afr n HIS 54 Cb 0.40 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.45 1afr n HIS 54 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1afr s LEU 55 N -1.98 4.32 -0.04 2.41 1.43 -1.23 -4.81 118.68 118.77 1afr s LEU 55 Ca 0.41 0.89 -0.26 0.00 -1.03 0.00 0.00 54.13 54.15 1afr s LEU 55 Cb 0.21 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 1afr s LEU 55 CO 0.34 0.04 0.79 -0.75 0.23 0.00 0.00 176.35 177.01 1afr s LYS 56 N 0.34 4.48 0.31 1.70 2.47 -1.26 -5.01 119.74 122.77 1afr s LYS 56 Ca 0.27 1.06 -0.29 0.00 -1.56 0.00 0.00 55.97 55.45 1afr s LYS 56 Cb -0.16 -3.45 -0.10 0.00 -1.46 0.00 0.00 37.83 32.66 1afr s LYS 56 CO 0.12 0.02 1.39 -1.25 0.16 0.00 0.00 175.35 175.79 1afr s PRO 57 N 0.88 4.28 0.27 4.03 0.04 -1.26 -4.84 135.00 138.39 1afr s PRO 57 Ca 0.42 2.32 -0.07 0.00 0.04 0.00 0.00 61.00 63.71 1afr s PRO 57 Cb -0.19 -3.06 0.46 0.00 0.04 0.00 0.00 34.50 31.74 1afr s PRO 57 CO 0.21 -0.33 1.50 0.28 0.04 0.00 0.00 177.00 178.70 1afr n VAL 58 N 1.22 -0.40 0.31 -0.36 0.31 -1.26 0.14 118.33 118.28 1afr n VAL 58 Ca 0.02 2.19 0.19 0.00 -0.01 0.00 0.00 64.34 66.74 1afr n VAL 58 Cb 0.41 -3.04 0.99 0.00 -0.91 0.00 0.00 33.84 31.28 1afr n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1afr h GLU 59 N 0.00 0.00 -0.39 5.55 4.39 -2.01 -1.83 114.58 120.28 1afr h GLU 59 Ca 0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1afr h GLU 59 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1afr h GLU 59 CO -0.98 0.02 0.00 1.63 -1.16 0.00 0.00 179.01 178.52 1afr n LYS 60 N -3.23 3.37 -3.95 2.33 5.02 0.12 -4.99 118.16 116.84 1afr n LYS 60 Ca -0.02 -2.76 -0.32 0.00 -2.02 0.00 0.00 58.31 53.19 1afr n LYS 60 Cb 0.16 -1.82 -0.05 0.00 -0.02 0.00 0.00 35.03 33.30 1afr n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1afr s TRP 62 N -1.42 3.44 0.08 0.00 1.48 -1.26 -5.03 118.94 116.23 1afr s TRP 62 Ca 0.31 1.31 0.05 0.00 -1.06 0.00 0.00 56.10 56.72 1afr s TRP 62 Cb -0.13 -2.79 -0.03 0.00 -1.16 0.00 0.00 33.47 29.36 1afr s TRP 62 CO 0.24 -0.90 -0.14 -0.65 -4.06 0.00 0.00 176.95 171.44 1afr s GLN 63 N -5.15 0.85 0.32 3.25 -1.52 -1.26 -5.05 119.66 111.10 1afr s GLN 63 Ca 0.56 -1.01 0.08 0.00 -1.95 0.00 0.00 55.36 53.04 1afr s GLN 63 Cb -0.12 -0.81 0.92 0.00 -0.22 0.00 0.00 33.01 32.78 1afr s GLN 63 CO 0.54 0.17 1.61 -1.35 -0.25 0.00 0.00 175.29 176.01 1afr h PRO 64 N 4.11 0.11 -0.01 2.91 0.11 -1.98 0.18 132.00 137.44 1afr h PRO 64 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1afr h PRO 64 Cb 1.19 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1afr h PRO 64 CO 0.43 0.07 0.10 0.37 -0.21 0.00 0.00 178.00 178.76 1afr h GLN 65 N 0.11 0.00 0.00 1.05 5.75 -1.96 -0.36 115.11 119.70 1afr h GLN 65 Ca 0.66 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 59.13 1afr h GLN 65 Cb 1.49 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 30.03 1afr h GLN 65 CO -0.76 0.00 -0.14 -0.44 -2.65 0.00 0.00 178.83 174.84 1afr h ASP 66 N 0.00 0.00 -0.04 -0.69 3.32 -1.04 -3.22 116.42 114.74 1afr h ASP 66 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1afr h ASP 66 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1afr h ASP 66 CO -0.00 0.14 0.00 0.49 -1.72 0.00 0.00 179.24 178.15 1afr n PHE 67 N -3.39 0.11 -4.37 4.55 3.72 -0.15 -5.05 117.46 112.88 1afr n PHE 67 Ca -0.01 -0.76 -0.19 0.00 -0.05 0.00 0.00 57.45 56.44 1afr n PHE 67 Cb 0.33 -0.12 -0.10 0.00 -0.94 0.00 0.00 39.48 38.65 1afr n PHE 67 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1afr s LEU 68 N -2.02 2.55 0.46 4.37 1.43 -1.18 -5.00 118.68 119.29 1afr s LEU 68 Ca 0.20 -1.04 -0.24 0.00 -1.03 0.00 0.00 54.13 52.02 1afr s LEU 68 Cb 0.17 -0.73 -0.09 0.00 0.03 0.00 0.00 46.19 45.57 1afr s LEU 68 CO 0.03 -0.16 1.20 -2.65 0.23 0.00 0.00 176.35 175.01 1afr n PRO 69 N -0.43 1.69 -2.91 1.29 -0.02 -1.26 -4.91 135.00 128.45 1afr n PRO 69 Ca -0.07 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.59 1afr n PRO 69 Cb 0.61 -2.33 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 1afr n PRO 69 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1afr s ASP 70 N -0.69 6.47 0.31 2.55 -1.08 -1.26 -4.92 116.67 118.05 1afr s ASP 70 Ca 0.64 0.06 0.26 0.00 -0.52 0.00 0.00 52.55 52.99 1afr s ASP 70 Cb -0.50 -2.41 1.05 0.00 -1.46 0.00 0.00 42.92 39.60 1afr s ASP 70 CO 0.56 -0.92 1.77 1.55 0.52 0.00 0.00 175.17 178.64 1afr h PRO 71 N 8.91 0.00 -0.73 4.34 0.13 -1.95 -2.76 132.00 139.93 1afr h PRO 71 Ca -0.24 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.57 1afr h PRO 71 Cb 1.08 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.03 1afr h PRO 71 CO 0.97 0.00 0.33 0.00 -0.23 0.00 0.00 178.00 179.08 1afr n ALA 72 N -1.84 4.82 -2.43 -0.56 0.00 -1.26 -4.95 120.51 114.29 1afr n ALA 72 Ca 0.02 -2.72 -0.22 0.00 0.00 0.00 0.00 53.44 50.52 1afr n ALA 72 Cb 0.25 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1afr n ALA 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afr s SER 73 N -1.50 2.93 0.52 0.00 0.15 -1.04 -5.02 113.70 109.74 1afr s SER 73 Ca 0.53 -0.91 0.30 0.00 0.70 0.00 0.00 55.95 56.57 1afr s SER 73 Cb 0.44 -0.19 1.21 0.00 -1.71 0.00 0.00 66.02 65.77 1afr s SER 73 CO 0.10 -0.02 1.93 0.44 1.20 0.00 0.00 173.24 176.89 1afr h ASP 74 N 2.98 0.00 -0.37 5.45 3.32 -1.92 -2.81 116.42 123.07 1afr h ASP 74 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1afr h ASP 74 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1afr h ASP 74 CO 0.54 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.73 1afr n GLY 75 N 0.08 2.15 0.04 2.75 0.00 -1.26 -4.43 105.19 104.53 1afr n GLY 75 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.36 1afr n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1afr h PHE 76 N 2.45 -0.01 -0.04 1.61 3.57 -1.65 -1.28 116.94 121.60 1afr h PHE 76 Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1afr h PHE 76 Cb 1.25 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1afr h PHE 76 CO 0.60 -0.00 -0.06 -0.44 -2.23 0.00 0.00 178.31 176.18 1afr h ASP 77 N -0.02 -0.17 0.30 0.41 3.32 -1.85 -0.50 116.42 117.91 1afr h ASP 77 Ca -0.00 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1afr h ASP 77 Cb 0.01 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1afr h ASP 77 CO 0.00 -0.08 -0.35 1.05 -1.72 0.00 0.00 179.24 178.14 1afr h GLU 78 N -0.08 0.08 -0.37 3.56 4.11 -1.86 -0.40 114.58 119.61 1afr h GLU 78 Ca 0.04 -0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.38 1afr h GLU 78 Cb 0.13 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1afr h GLU 78 CO -0.09 0.42 -0.00 1.96 0.07 0.00 0.00 179.01 181.37 1afr h GLN 79 N 0.07 0.66 -0.45 1.06 4.20 -0.73 -0.24 115.11 119.67 1afr h GLN 79 Ca 0.01 -0.21 -0.12 0.00 0.06 0.00 0.00 58.65 58.38 1afr h GLN 79 Cb 0.65 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1afr h GLN 79 CO 0.05 0.76 -0.19 0.28 -0.67 0.00 0.00 178.83 179.06 1afr h VAL 80 N 0.47 1.27 -0.16 -0.54 2.07 -0.86 -1.54 116.25 116.97 1afr h VAL 80 Ca 0.10 -1.34 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1afr h VAL 80 Cb 0.47 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1afr h VAL 80 CO 0.02 0.46 0.09 -0.09 0.02 0.00 0.00 177.57 178.07 1afr h ARG 81 N 0.77 0.18 -0.58 1.57 2.43 -0.87 -0.84 114.38 117.04 1afr h ARG 81 Ca 0.10 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1afr h ARG 81 Cb 0.76 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1afr h ARG 81 CO 0.06 0.12 0.29 0.93 -1.51 0.00 0.00 179.97 179.87 1afr h GLU 82 N 0.19 0.82 -0.86 0.20 5.08 -0.95 0.04 114.58 119.10 1afr h GLU 82 Ca 0.06 -0.11 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1afr h GLU 82 Cb -0.00 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.03 1afr h GLU 82 CO -0.03 0.65 0.53 1.25 -1.00 0.00 0.00 179.01 180.41 1afr h LEU 83 N 0.78 0.81 -0.54 1.33 6.46 -0.90 -1.20 115.31 122.05 1afr h LEU 83 Ca 0.20 0.03 -0.16 0.00 -0.12 0.00 0.00 57.88 57.83 1afr h LEU 83 Cb 0.09 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1afr h LEU 83 CO -0.03 0.50 -0.61 0.03 -0.62 0.00 0.00 178.44 177.71 1afr h ARG 84 N 0.93 0.42 -0.25 1.25 3.08 -0.38 -2.34 114.38 117.10 1afr h ARG 84 Ca 0.39 -0.29 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1afr h ARG 84 Cb 0.24 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1afr h ARG 84 CO -0.20 0.90 -0.05 0.93 -1.07 0.00 0.00 179.97 180.48 1afr h GLU 85 N 0.31 0.47 -0.83 0.04 5.08 -0.54 -3.04 114.58 116.07 1afr h GLU 85 Ca -0.01 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1afr h GLU 85 Cb 1.14 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1afr h GLU 85 CO 0.11 0.68 0.50 0.00 -1.00 0.00 0.00 179.01 179.29 1afr h ARG 86 N 0.22 1.12 0.00 2.33 3.08 -1.21 -2.16 114.38 117.76 1afr h ARG 86 Ca 0.06 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1afr h ARG 86 Cb 0.50 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 1afr h ARG 86 CO 0.02 0.78 -0.04 0.00 -1.07 0.00 0.00 179.97 179.66 1afr h ALA 87 N 1.41 1.41 0.00 0.04 0.00 -1.31 -0.76 119.26 120.05 1afr h ALA 87 Ca 0.30 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 1afr h ALA 87 Cb -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1afr h ALA 87 CO -0.06 0.05 -0.29 0.87 0.00 0.00 0.00 179.25 179.83 1afr h LYS 88 N 0.00 0.00 0.00 0.00 1.57 -1.28 -2.56 116.57 114.29 1afr h LYS 88 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1afr h LYS 88 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1afr h LYS 88 CO 0.01 0.29 0.00 0.39 -0.57 0.00 0.00 179.45 179.57 1afr n GLU 89 N -3.54 0.11 -3.52 3.15 1.02 -0.29 -4.71 120.64 112.85 1afr n GLU 89 Ca -0.00 0.12 -0.39 0.00 -0.02 0.00 0.00 57.16 56.87 1afr n GLU 89 Cb 0.44 -1.63 -0.10 0.00 -0.02 0.00 0.00 31.44 30.12 1afr n GLU 89 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1afr s ILE 90 N -3.06 5.27 0.78 -3.67 1.01 -0.97 -4.98 121.20 115.59 1afr s ILE 90 Ca 0.12 0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.76 1afr s ILE 90 Cb 0.15 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 39.06 1afr s ILE 90 CO 0.53 0.13 1.22 -2.16 0.00 0.00 0.00 174.94 174.66 1afr s PRO 91 N 1.83 1.77 0.53 2.79 0.04 -1.26 -4.86 135.00 135.84 1afr s PRO 91 Ca 0.09 1.80 0.19 0.00 0.04 0.00 0.00 61.00 63.11 1afr s PRO 91 Cb -0.16 -1.79 1.36 0.00 0.04 0.00 0.00 34.50 33.95 1afr s PRO 91 CO 0.11 -2.12 2.15 -0.44 0.04 0.00 0.00 177.00 176.73 1afr h ASP 92 N -0.69 0.00 0.16 6.66 3.32 -1.97 -2.22 116.42 121.68 1afr h ASP 92 Ca -0.47 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.59 1afr h ASP 92 Cb 1.30 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 1afr h ASP 92 CO 0.47 0.00 -0.24 0.44 -1.72 0.00 0.00 179.24 178.19 1afr h ASP 93 N 0.00 -0.68 -0.52 6.45 3.32 -1.95 -0.80 116.42 122.24 1afr h ASP 93 Ca 0.03 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1afr h ASP 93 Cb 0.11 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.87 1afr h ASP 93 CO -0.00 -0.34 0.30 0.22 -1.72 0.00 0.00 179.24 177.69 1afr h TYR 94 N -0.47 0.55 -0.42 4.55 5.03 -1.78 -2.53 116.97 121.90 1afr h TYR 94 Ca 0.02 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.31 1afr h TYR 94 Cb 0.48 -0.17 -0.02 0.00 1.55 0.00 0.00 36.73 38.56 1afr h TYR 94 CO -0.20 0.30 0.13 0.74 -1.32 0.00 0.00 178.16 177.81 1afr h PHE 95 N 0.58 0.62 -0.79 -3.82 0.04 -1.21 0.03 116.94 112.40 1afr h PHE 95 Ca 0.22 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 1afr h PHE 95 Cb 0.06 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 1afr h PHE 95 CO -0.08 0.51 0.36 0.28 -0.60 0.00 0.00 178.31 178.79 1afr h VAL 96 N 0.61 1.25 -0.07 -0.55 2.07 -0.71 0.22 116.25 119.07 1afr h VAL 96 Ca 0.14 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 1afr h VAL 96 Cb 0.18 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1afr h VAL 96 CO -0.01 0.31 -0.07 0.58 0.02 0.00 0.00 177.57 178.40 1afr h VAL 97 N 1.12 1.37 -0.80 2.57 2.07 -1.29 -1.67 116.25 119.62 1afr h VAL 97 Ca 0.27 -1.24 0.07 0.00 0.82 0.00 0.00 66.70 66.62 1afr h VAL 97 Cb 0.14 2.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.90 1afr h VAL 97 CO -0.03 0.34 0.47 0.25 0.02 0.00 0.00 177.57 178.63 1afr h LEU 98 N -0.27 0.71 -0.61 2.57 5.85 -0.85 0.29 115.31 122.99 1afr h LEU 98 Ca 0.01 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1afr h LEU 98 Cb 0.59 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1afr h LEU 98 CO 0.02 0.44 0.10 0.58 -0.34 0.00 0.00 178.44 179.23 1afr h VAL 99 N 0.84 1.26 -0.70 1.05 2.07 -0.90 -0.53 116.25 119.34 1afr h VAL 99 Ca 0.37 -1.01 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1afr h VAL 99 Cb 0.25 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1afr h VAL 99 CO -0.20 0.37 0.26 1.23 0.02 0.00 0.00 177.57 179.25 1afr h GLY 100 N 0.92 1.14 0.95 2.17 0.00 -0.35 -0.43 103.07 107.47 1afr h GLY 100 Ca 0.19 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1afr h GLY 100 CO 0.01 0.60 0.17 -0.55 0.00 0.00 0.00 176.54 176.77 1afr h ASP 101 N 1.01 0.59 -0.29 0.19 3.32 -0.64 -2.45 116.42 118.15 1afr h ASP 101 Ca 0.23 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1afr h ASP 101 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1afr h ASP 101 CO -0.01 0.60 0.13 -0.03 -1.72 0.00 0.00 179.24 178.21 1afr h MET 102 N 0.54 0.43 -0.77 3.56 4.05 -0.82 -2.33 114.93 119.59 1afr h MET 102 Ca 0.14 -0.07 0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1afr h MET 102 Cb 0.20 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 1afr h MET 102 CO -0.01 0.42 0.51 0.82 0.23 0.00 0.00 176.91 178.88 1afr h ILE 103 N 0.33 1.12 -0.61 1.77 2.04 -0.97 -0.43 117.51 120.76 1afr h ILE 103 Ca 0.10 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1afr h ILE 103 Cb 0.14 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1afr h ILE 103 CO -0.01 0.17 0.04 0.74 0.00 0.00 0.00 178.15 179.09 1afr h THR 104 N 0.94 1.26 -0.45 -0.27 2.02 -1.21 -2.98 112.91 112.22 1afr h THR 104 Ca 0.31 -1.09 -0.05 0.00 0.77 0.00 0.00 66.41 66.35 1afr h THR 104 Cb 0.05 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1afr h THR 104 CO -0.09 0.40 0.10 -0.33 0.37 0.00 0.00 175.52 175.97 1afr h GLU 105 N 0.95 0.74 0.00 6.66 4.39 -0.68 -3.04 114.58 123.59 1afr h GLU 105 Ca 0.18 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1afr h GLU 105 Cb 0.51 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1afr h GLU 105 CO 0.02 0.74 0.00 0.93 -1.16 0.00 0.00 179.01 179.54 1afr h GLU 106 N 0.61 0.00 -0.95 2.33 4.39 -0.99 -2.75 114.58 117.22 1afr h GLU 106 Ca 0.14 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1afr h GLU 106 Cb 0.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1afr h GLU 106 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.86 1afr n ALA 107 N -2.04 2.67 -0.33 3.43 0.00 -1.14 -4.59 120.51 118.51 1afr n ALA 107 Ca -0.02 -0.23 0.15 0.00 0.00 0.00 0.00 53.44 53.34 1afr n ALA 107 Cb 0.13 -1.02 0.30 0.00 0.00 0.00 0.00 19.45 18.87 1afr n ALA 107 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1afr h LEU 108 N 0.49 -0.37 -0.97 0.00 5.85 -1.69 -1.78 115.31 116.84 1afr h LEU 108 Ca 0.00 0.27 0.24 0.00 0.84 0.00 0.00 57.88 59.23 1afr h LEU 108 Cb 0.69 0.44 -0.13 0.00 0.37 0.00 0.00 40.66 42.04 1afr h LEU 108 CO 0.06 -0.33 0.54 -0.65 -0.34 0.00 0.00 178.44 177.72 1afr h PRO 109 N 0.03 0.50 -0.88 5.25 0.11 -1.91 0.15 132.00 135.25 1afr h PRO 109 Ca 0.60 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.68 1afr h PRO 109 Cb 1.26 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1afr h PRO 109 CO -0.87 0.33 0.55 1.15 -0.21 0.00 0.00 178.00 178.95 1afr h THR 110 N 0.51 1.24 -0.04 -1.15 2.02 -1.70 -0.79 112.91 113.00 1afr h THR 110 Ca 0.63 -0.49 -0.14 0.00 0.77 0.00 0.00 66.41 67.18 1afr h THR 110 Cb 1.22 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1afr h THR 110 CO -0.50 0.24 -0.62 1.88 0.37 0.00 0.00 175.52 176.90 1afr h TYR 111 N 1.21 0.18 -0.03 3.16 0.05 -0.82 -0.01 116.97 120.71 1afr h TYR 111 Ca 0.32 -0.07 -0.20 0.00 0.05 0.00 0.00 58.73 58.83 1afr h TYR 111 Cb -0.08 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1afr h TYR 111 CO 0.00 0.72 -0.83 0.37 -1.05 0.00 0.00 178.16 177.37 1afr h GLN 112 N 0.10 0.33 -0.44 4.88 4.15 -0.83 -3.04 115.11 120.26 1afr h GLN 112 Ca -0.01 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.08 1afr h GLN 112 Cb 1.11 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 1afr h GLN 112 CO 0.09 0.99 0.20 1.15 -1.93 0.00 0.00 178.83 179.33 1afr h THR 113 N 0.20 1.19 -0.83 2.39 2.02 -0.74 -1.73 112.91 115.41 1afr h THR 113 Ca -0.05 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.64 1afr h THR 113 Cb 1.44 0.73 -0.05 0.00 -1.74 0.00 0.00 68.15 68.53 1afr h THR 113 CO 0.14 0.21 0.54 0.24 0.37 0.00 0.00 175.52 177.02 1afr h MET 114 N 0.57 0.94 -0.23 6.66 2.86 -0.97 -0.70 114.93 124.07 1afr h MET 114 Ca 0.15 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.57 1afr h MET 114 Cb 0.14 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1afr h MET 114 CO -0.02 0.62 -0.51 -0.07 1.06 0.00 0.00 176.91 177.99 1afr h LEU 115 N 0.96 0.71 0.00 1.22 3.38 -1.37 -2.69 115.31 117.52 1afr h LEU 115 Ca 0.34 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1afr h LEU 115 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1afr h LEU 115 CO -0.11 1.09 0.00 0.59 0.09 0.00 0.00 178.44 180.10 1afr n ASN 116 N -3.99 0.00 0.04 -0.43 3.02 -0.33 -2.33 115.26 111.24 1afr n ASN 116 Ca -0.03 -0.99 0.11 0.00 -0.03 0.00 0.00 54.58 53.65 1afr n ASN 116 Cb 0.59 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.67 1afr n ASN 116 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1afr n THR 117 N -0.88 0.25 -1.95 3.41 -2.24 -0.80 -4.65 114.28 107.42 1afr n THR 117 Ca 0.15 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1afr n THR 117 Cb 0.07 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 1afr n THR 117 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1afr s LEU 118 N -4.73 4.14 0.21 3.22 1.43 -0.98 -4.47 118.68 117.48 1afr s LEU 118 Ca -0.04 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 54.95 1afr s LEU 118 Cb 0.12 -3.53 0.16 0.00 0.03 0.00 0.00 46.19 42.98 1afr s LEU 118 CO 0.85 -1.13 1.56 0.44 0.23 0.00 0.00 176.35 178.31 1afr h ASP 119 N 10.51 -1.38 1.04 2.29 3.32 -1.29 -0.02 116.42 130.90 1afr h ASP 119 Ca -0.39 0.28 -0.17 0.00 0.02 0.00 0.00 57.03 56.76 1afr h ASP 119 Cb 1.18 0.70 -0.03 0.00 0.22 0.00 0.00 39.33 41.40 1afr h ASP 119 CO 0.97 -0.30 -1.01 1.23 -1.72 0.00 0.00 179.24 178.41 1afr h GLY 120 N -0.08 0.00 0.26 2.75 0.00 -1.88 -3.38 103.07 100.74 1afr h GLY 120 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1afr h GLY 120 CO -0.85 0.00 -1.54 3.33 0.00 0.00 0.00 176.54 177.48 1afr n VAL 121 N -3.14 0.13 -1.09 4.60 0.24 -1.11 -4.75 118.33 113.20 1afr n VAL 121 Ca -0.04 -0.40 -0.35 0.00 -2.04 0.00 0.00 64.34 61.52 1afr n VAL 121 Cb 0.85 0.11 0.10 0.00 -1.47 0.00 0.00 33.84 33.43 1afr n VAL 121 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1afr n ARG 122 N -2.17 0.10 -3.18 7.34 1.85 -0.04 -4.12 116.66 116.44 1afr n ARG 122 Ca -0.01 0.09 -0.42 0.00 -1.00 0.00 0.00 57.85 56.50 1afr n ARG 122 Cb 0.51 -1.96 -0.07 0.00 -1.05 0.00 0.00 32.46 29.89 1afr n ARG 122 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1afr s ASP 123 N -1.76 6.31 0.44 2.89 -1.08 -1.26 -4.79 116.67 117.42 1afr s ASP 123 Ca 0.64 -0.27 0.24 0.00 -0.52 0.00 0.00 52.55 52.65 1afr s ASP 123 Cb -0.29 -2.29 0.78 0.00 -1.46 0.00 0.00 42.92 39.65 1afr s ASP 123 CO 0.59 -0.65 1.76 -0.33 0.52 0.00 0.00 175.17 177.07 1afr h GLU 124 N 8.70 0.00 0.00 4.34 4.39 -1.96 -3.38 114.58 126.68 1afr h GLU 124 Ca -0.26 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.35 1afr h GLU 124 Cb 1.11 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1afr h GLU 124 CO 0.84 0.18 -1.34 0.25 -1.16 0.00 0.00 179.01 177.78 1afr n THR 125 N -3.25 0.34 0.00 1.13 -2.24 -1.26 -5.02 114.28 103.98 1afr n THR 125 Ca 0.01 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1afr n THR 125 Cb 0.47 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1afr n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1afr n GLY 126 N 2.98 0.90 0.93 3.38 0.00 -1.26 -4.89 105.19 107.24 1afr n GLY 126 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1afr n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1afr n ALA 127 N -0.49 3.20 -1.82 4.61 0.00 -1.26 -5.11 120.51 119.64 1afr n ALA 127 Ca 0.00 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.43 1afr n ALA 127 Cb 0.00 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1afr n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afr s SER 128 N -0.87 6.55 0.00 0.00 0.15 -1.26 -4.88 113.70 113.38 1afr s SER 128 Ca 0.00 2.79 0.07 0.00 0.70 0.00 0.00 55.95 59.51 1afr s SER 128 Cb 0.00 -2.63 0.42 0.00 -1.71 0.00 0.00 66.02 62.09 1afr s SER 128 CO 0.00 -0.77 0.93 -2.65 1.20 0.00 0.00 173.24 171.95 1afr n PRO 129 N 2.01 0.58 -2.42 5.44 -0.02 -1.26 -4.17 135.00 135.16 1afr n PRO 129 Ca 0.06 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.20 1afr n PRO 129 Cb 0.39 -1.19 -0.02 0.00 -0.02 0.00 0.00 33.50 32.67 1afr n PRO 129 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1afr s THR 130 N -2.00 3.50 0.40 3.45 -4.23 -1.26 -4.85 115.64 110.64 1afr s THR 130 Ca 0.10 0.95 0.09 0.00 -1.18 0.00 0.00 61.69 61.65 1afr s THR 130 Cb 0.05 -3.39 0.30 0.00 1.34 0.00 0.00 72.50 70.80 1afr s THR 130 CO 0.08 -0.19 1.98 0.28 -0.54 0.00 0.00 174.62 176.24 1afr h SER 131 N 1.47 0.52 -0.20 3.99 0.02 -1.89 0.12 113.55 117.59 1afr h SER 131 Ca -0.50 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 1afr h SER 131 Cb 1.24 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 1afr h SER 131 CO 0.58 0.34 -0.10 -0.50 -1.14 0.00 0.00 176.83 176.01 1afr h TRP 132 N 0.59 0.47 -0.40 3.45 4.06 -1.89 -1.59 115.95 120.64 1afr h TRP 132 Ca 0.28 -0.12 -0.08 0.00 2.06 0.00 0.00 58.89 61.03 1afr h TRP 132 Cb 0.32 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 1afr h TRP 132 CO -0.00 0.71 -0.06 0.00 -3.56 0.00 0.00 178.44 175.53 1afr h ALA 133 N 0.69 0.55 -0.92 1.49 0.00 -1.55 -0.99 119.26 118.53 1afr h ALA 133 Ca 0.04 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1afr h ALA 133 Cb 0.58 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1afr h ALA 133 CO 0.03 0.39 0.58 0.82 0.00 0.00 0.00 179.25 181.07 1afr h ILE 134 N 0.57 1.07 0.25 0.00 2.04 -0.75 -0.53 117.51 120.16 1afr h ILE 134 Ca 0.11 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1afr h ILE 134 Cb 0.57 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1afr h ILE 134 CO 0.03 0.19 -0.12 -0.25 0.00 0.00 0.00 178.15 178.00 1afr h TRP 135 N 1.06 -0.32 -0.40 1.37 2.91 -0.89 -0.79 115.95 118.89 1afr h TRP 135 Ca 0.40 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.49 1afr h TRP 135 Cb 0.16 0.10 -0.09 0.00 -0.51 0.00 0.00 29.16 28.83 1afr h TRP 135 CO -0.02 -0.06 -0.23 1.15 -1.03 0.00 0.00 178.44 178.25 1afr h THR 136 N -0.54 0.37 -0.03 2.65 2.02 -0.57 0.41 112.91 117.22 1afr h THR 136 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1afr h THR 136 Cb 0.40 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1afr h THR 136 CO 0.06 0.00 0.01 0.03 0.37 0.00 0.00 175.52 175.99 1afr h ARG 137 N -0.16 0.04 -0.73 6.66 3.08 -1.07 -2.09 114.38 120.11 1afr h ARG 137 Ca 0.19 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1afr h ARG 137 Cb 0.46 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.47 1afr h ARG 137 CO -0.49 0.17 0.20 0.00 -1.07 0.00 0.00 179.97 178.78 1afr h ALA 138 N 0.87 0.97 -0.15 0.04 0.00 -0.61 -0.50 119.26 119.87 1afr h ALA 138 Ca 0.01 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1afr h ALA 138 Cb 0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1afr h ALA 138 CO -0.00 0.67 0.08 2.35 0.00 0.00 0.00 179.25 182.35 1afr h TRP 139 N 1.10 0.20 -0.67 0.00 7.01 -0.18 -1.47 115.95 121.94 1afr h TRP 139 Ca 0.23 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.25 1afr h TRP 139 Cb 0.35 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 1afr h TRP 139 CO 0.03 0.21 0.42 1.15 -2.79 0.00 0.00 178.44 177.46 1afr h THR 140 N 0.14 1.10 -0.92 2.65 2.02 -1.16 -0.39 112.91 116.35 1afr h THR 140 Ca 0.05 -0.29 0.08 0.00 0.77 0.00 0.00 66.41 67.03 1afr h THR 140 Cb 0.07 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.61 1afr h THR 140 CO -0.01 0.15 0.57 0.00 0.37 0.00 0.00 175.52 176.61 1afr h ALA 141 N 1.28 1.31 -0.36 6.16 0.00 -0.75 -1.09 119.26 125.80 1afr h ALA 141 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1afr h ALA 141 Cb -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1afr h ALA 141 CO -0.10 0.28 -0.32 0.93 0.00 0.00 0.00 179.25 180.04 1afr h GLU 142 N 1.00 0.86 0.00 0.00 5.08 -0.45 -3.14 114.58 117.93 1afr h GLU 142 Ca 0.42 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1afr h GLU 142 Cb 0.28 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1afr h GLU 142 CO -0.21 1.08 -0.21 0.93 -1.00 0.00 0.00 179.01 179.61 1afr h GLU 143 N 0.66 0.00 -0.56 2.33 4.39 -0.23 -3.03 114.58 118.14 1afr h GLU 143 Ca 0.06 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.77 1afr h GLU 143 Cb 0.91 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1afr h GLU 143 CO 0.08 0.21 0.37 -0.97 -1.16 0.00 0.00 179.01 177.54 1afr h ASN 144 N 0.00 0.63 0.59 1.42 -1.24 -1.18 -2.03 115.58 113.77 1afr h ASN 144 Ca -0.00 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 56.96 1afr h ASN 144 Cb 0.50 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 1afr h ASN 144 CO 0.03 0.45 -0.17 0.03 -1.29 0.00 0.00 177.43 176.48 1afr h ARG 145 N 0.74 0.00 -0.10 6.67 3.08 -1.67 -2.84 114.38 120.26 1afr h ARG 145 Ca 0.21 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1afr h ARG 145 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1afr h ARG 145 CO -0.05 0.17 -0.01 0.45 -1.07 0.00 0.00 179.97 179.46 1afr h HIS 146 N 0.00 0.21 -0.23 3.04 3.86 -1.52 -1.98 115.15 118.54 1afr h HIS 146 Ca -0.00 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.08 1afr h HIS 146 Cb 0.51 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.92 1afr h HIS 146 CO 0.00 0.47 -0.18 0.78 0.86 0.00 0.00 177.93 179.86 1afr h GLY 147 N -0.11 0.57 0.32 2.45 0.00 -1.61 -2.73 103.07 101.97 1afr h GLY 147 Ca 0.03 -0.56 0.06 0.00 0.00 0.00 0.00 47.33 46.86 1afr h GLY 147 CO 0.01 0.51 -0.13 -0.55 0.00 0.00 0.00 176.54 176.37 1afr h ASP 148 N 0.22 -0.44 -0.24 0.19 5.19 -1.51 0.33 116.42 120.15 1afr h ASP 148 Ca 0.04 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.55 1afr h ASP 148 Cb 0.72 0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 1afr h ASP 148 CO 0.05 -0.17 0.12 0.25 -3.12 0.00 0.00 179.24 176.37 1afr h LEU 149 N -0.10 0.32 -1.02 1.55 5.85 -1.41 -1.39 115.31 119.11 1afr h LEU 149 Ca 0.14 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.63 1afr h LEU 149 Cb 0.31 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1afr h LEU 149 CO -0.33 0.35 -0.45 -0.07 -0.34 0.00 0.00 178.44 177.61 1afr h LEU 150 N 0.26 0.09 0.31 2.25 3.38 -1.27 -2.55 115.31 117.78 1afr h LEU 150 Ca 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1afr h LEU 150 Cb 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1afr h LEU 150 CO -0.01 0.53 -0.15 -1.13 0.09 0.00 0.00 178.44 177.77 1afr h ASN 151 N 0.07 -0.36 -0.63 -0.43 -0.73 -0.06 -1.70 115.58 111.75 1afr h ASN 151 Ca 0.00 -0.17 0.01 0.00 1.87 0.00 0.00 56.30 58.01 1afr h ASN 151 Cb 0.82 0.09 -0.03 0.00 0.27 0.00 0.00 38.32 39.47 1afr h ASN 151 CO 0.06 0.02 0.42 0.11 -0.37 0.00 0.00 177.43 177.66 1afr h LYS 152 N -0.78 0.79 0.22 6.67 6.56 -1.30 -1.95 116.57 126.79 1afr h LYS 152 Ca -0.04 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.49 1afr h LYS 152 Cb 0.51 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 1afr h LYS 152 CO 0.07 0.52 -0.11 -0.92 -2.06 0.00 0.00 179.45 176.96 1afr h TYR 153 N 0.82 -0.27 -0.30 -1.35 3.20 -1.37 -1.42 116.97 116.26 1afr h TYR 153 Ca 0.24 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1afr h TYR 153 Cb -0.04 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 1afr h TYR 153 CO -0.00 -0.04 0.13 -0.07 -1.64 0.00 0.00 178.16 176.54 1afr h LEU 154 N -0.47 0.37 0.18 2.82 3.38 -1.12 -1.70 115.31 118.77 1afr h LEU 154 Ca -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1afr h LEU 154 Cb 0.36 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1afr h LEU 154 CO 0.05 0.34 -0.08 0.22 0.09 0.00 0.00 178.44 179.05 1afr h TYR 155 N 0.42 -0.22 0.00 1.13 3.20 -1.21 -3.16 116.97 117.14 1afr h TYR 155 Ca 0.11 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.91 1afr h TYR 155 Cb 0.08 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 1afr h TYR 155 CO 0.00 0.05 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.18 1afr h LEU 156 N -0.47 0.00 -0.96 2.82 3.38 -1.00 -3.23 115.31 115.85 1afr h LEU 156 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1afr h LEU 156 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1afr h LEU 156 CO 0.04 0.32 0.62 0.77 0.09 0.00 0.00 178.44 180.28 1afr h SER 157 N 0.00 1.03 0.00 -0.43 4.64 -1.27 -3.44 113.55 114.08 1afr h SER 157 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1afr h SER 157 Cb 0.59 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1afr h SER 157 CO 0.04 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 1afr n GLY 158 N -1.36 0.62 0.01 -0.77 0.00 -1.22 -4.75 105.19 97.72 1afr n GLY 158 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.26 1afr n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1afr n ARG 159 N -2.75 0.03 -4.42 1.61 5.12 -1.26 -4.97 116.66 110.02 1afr n ARG 159 Ca 0.00 -0.02 -0.21 0.00 -1.93 0.00 0.00 57.85 55.69 1afr n ARG 159 Cb 0.00 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.70 1afr n ARG 159 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1afr s VAL 160 N -2.99 1.44 -0.74 1.55 -7.23 -1.26 -4.83 120.40 106.34 1afr s VAL 160 Ca 0.10 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 58.02 1afr s VAL 160 Cb 0.17 -2.52 0.15 0.00 0.56 0.00 0.00 36.38 34.74 1afr s VAL 160 CO 0.77 -0.23 0.80 -0.62 -0.31 0.00 0.00 175.10 175.50 1afr s ASP 161 N -3.43 6.47 0.34 4.85 -1.08 0.78 -4.92 116.67 119.68 1afr s ASP 161 Ca 0.31 -2.01 0.02 0.00 -0.52 0.00 0.00 52.55 50.35 1afr s ASP 161 Cb 0.05 -2.28 0.62 0.00 -1.46 0.00 0.00 42.92 39.85 1afr s ASP 161 CO 0.12 -0.90 2.00 0.24 0.52 0.00 0.00 175.17 177.15 1afr h MET 162 N 8.62 0.86 -0.65 4.34 2.86 -1.94 -1.96 114.93 127.05 1afr h MET 162 Ca -0.07 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1afr h MET 162 Cb 1.06 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 1afr h MET 162 CO 0.98 0.57 0.40 -0.09 1.06 0.00 0.00 176.91 179.83 1afr h ARG 163 N 0.89 0.88 -0.36 1.72 2.43 -1.97 0.23 114.38 118.19 1afr h ARG 163 Ca 0.25 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.19 1afr h ARG 163 Cb -0.06 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 1afr h ARG 163 CO -0.06 0.62 -0.38 1.96 -1.51 0.00 0.00 179.97 180.60 1afr h GLN 164 N 0.89 0.87 -0.52 0.20 1.08 -1.79 -1.14 115.11 114.69 1afr h GLN 164 Ca 0.24 -0.45 -0.05 0.00 -1.45 0.00 0.00 58.65 56.94 1afr h GLN 164 Cb -0.04 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1afr h GLN 164 CO -0.05 1.10 0.15 0.82 -0.95 0.00 0.00 178.83 179.90 1afr h ILE 165 N 0.71 1.24 -0.15 2.54 2.04 -0.91 -0.64 117.51 122.33 1afr h ILE 165 Ca 0.06 -0.82 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 1afr h ILE 165 Cb 0.96 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1afr h ILE 165 CO 0.09 0.30 -0.20 -0.33 0.00 0.00 0.00 178.15 178.01 1afr h GLU 166 N 0.73 0.26 -0.36 2.37 5.08 -0.38 -1.16 114.58 121.11 1afr h GLU 166 Ca 0.17 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1afr h GLU 166 Cb 0.30 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1afr h GLU 166 CO -0.00 0.46 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.01 1afr h LYS 167 N 0.24 0.80 -0.78 2.33 3.64 -0.67 -1.75 116.57 120.38 1afr h LYS 167 Ca 0.04 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1afr h LYS 167 Cb 0.50 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 1afr h LYS 167 CO 0.03 1.01 0.43 1.15 -2.27 0.00 0.00 179.45 179.80 1afr h THR 168 N 0.59 1.23 -0.56 1.00 2.02 -0.49 -1.86 112.91 114.84 1afr h THR 168 Ca 0.07 -0.56 -0.11 0.00 0.77 0.00 0.00 66.41 66.59 1afr h THR 168 Cb 0.80 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1afr h THR 168 CO 0.07 0.25 -0.07 0.40 0.37 0.00 0.00 175.52 176.54 1afr h ILE 169 N 1.08 1.27 -0.67 3.11 2.04 -0.95 -1.11 117.51 122.28 1afr h ILE 169 Ca 0.28 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.85 1afr h ILE 169 Cb 0.01 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1afr h ILE 169 CO -0.05 0.43 0.17 -0.61 0.00 0.00 0.00 178.15 178.09 1afr h GLN 170 N 0.91 1.07 0.37 2.37 4.15 -0.76 -2.03 115.11 121.19 1afr h GLN 170 Ca 0.15 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.29 1afr h GLN 170 Cb 0.63 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1afr h GLN 170 CO 0.04 0.96 -0.18 1.88 -1.93 0.00 0.00 178.83 179.60 1afr h TYR 171 N 1.00 -0.46 -0.46 3.99 0.05 -1.20 -2.24 116.97 117.65 1afr h TYR 171 Ca 0.21 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 59.07 1afr h TYR 171 Cb 0.36 0.15 -0.09 0.00 1.01 0.00 0.00 36.73 38.17 1afr h TYR 171 CO 0.03 -0.24 -0.12 1.25 -1.05 0.00 0.00 178.16 178.03 1afr h LEU 172 N -0.56 -0.44 -0.77 3.88 5.85 -0.98 0.12 115.31 122.41 1afr h LEU 172 Ca -0.05 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1afr h LEU 172 Cb 0.42 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1afr h LEU 172 CO 0.08 -0.16 0.18 0.40 -0.34 0.00 0.00 178.44 178.61 1afr h ILE 173 N -0.01 1.26 0.00 4.05 2.04 -1.39 -0.49 117.51 122.97 1afr h ILE 173 Ca 0.22 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 1afr h ILE 173 Cb 0.34 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1afr h ILE 173 CO -0.47 0.37 -0.28 1.23 0.00 0.00 0.00 178.15 178.99 1afr h GLY 174 N 1.08 0.00 1.73 5.37 0.00 -0.53 -2.64 103.07 108.08 1afr h GLY 174 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.34 1afr h GLY 174 CO 0.00 0.00 -1.10 1.76 0.00 0.00 0.00 176.54 177.20 1afr h SER 175 N 0.00 0.00 0.00 0.19 0.02 -0.23 -3.50 113.55 110.04 1afr h SER 175 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1afr h SER 175 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1afr h SER 175 CO 0.04 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 1afr n GLY 176 N 1.38 0.69 3.59 -3.77 0.00 -0.25 -4.93 105.19 101.89 1afr n GLY 176 Ca -0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 1afr n GLY 176 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1afr s MET 177 N 0.00 0.51 -0.29 1.61 0.00 -1.26 -4.87 119.30 115.00 1afr s MET 177 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 55.69 55.82 1afr s MET 177 Cb 0.00 0.24 0.08 0.00 0.00 0.00 0.00 34.83 35.16 1afr s MET 177 CO 0.00 -0.16 0.01 0.34 0.00 0.00 0.00 175.02 175.21 1afr s ASP 178 N -1.15 4.30 0.00 1.11 2.15 -1.26 -4.98 116.67 116.84 1afr s ASP 178 Ca 0.00 -1.68 0.22 0.00 0.43 0.00 0.00 52.55 51.52 1afr s ASP 178 Cb -0.01 -1.32 1.22 0.00 -0.30 0.00 0.00 42.92 42.51 1afr s ASP 178 CO -0.00 -0.32 1.68 -0.81 -0.17 0.00 0.00 175.17 175.54 1afr n PRO 179 N 4.52 0.55 -3.46 4.34 -0.04 -1.26 -4.89 135.00 134.76 1afr n PRO 179 Ca -0.04 0.03 -0.20 0.00 -0.04 0.00 0.00 63.50 63.25 1afr n PRO 179 Cb 0.43 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.46 1afr n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1afr n ARG 180 N -1.10 -7.04 0.00 0.54 1.74 -1.26 -4.80 116.66 104.75 1afr n ARG 180 Ca 0.14 0.77 0.11 0.00 -0.77 0.00 0.00 57.85 58.10 1afr n ARG 180 Cb 0.11 -5.62 0.07 0.00 -1.02 0.00 0.00 32.46 25.99 1afr n ARG 180 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1afr n THR 181 N -4.57 0.00 -4.25 0.55 -2.24 -1.26 -4.98 114.28 97.53 1afr n THR 181 Ca -0.07 -0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 1afr n THR 181 Cb 0.58 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 1afr n THR 181 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1afr n GLU 182 N -0.91 -2.06 -1.21 -0.78 1.02 -1.26 -0.77 120.64 114.66 1afr n GLU 182 Ca 0.07 0.25 -0.07 0.00 -0.02 0.00 0.00 57.16 57.39 1afr n GLU 182 Cb 0.38 -4.45 -0.03 0.00 -0.02 0.00 0.00 31.44 27.32 1afr n GLU 182 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1afr n ASN 183 N -2.76 -5.72 -4.56 1.62 4.13 -1.26 -2.06 115.26 104.65 1afr n ASN 183 Ca -0.13 0.18 -0.40 0.00 1.68 0.00 0.00 54.58 55.92 1afr n ASN 183 Cb 0.59 -3.87 -0.10 0.00 -1.54 0.00 0.00 39.78 34.86 1afr n ASN 183 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1afr s SER 184 N -2.29 6.09 0.60 6.41 0.15 0.05 -0.77 113.70 123.94 1afr s SER 184 Ca 0.00 -0.17 0.30 0.00 0.70 0.00 0.00 55.95 56.78 1afr s SER 184 Cb 0.00 -2.15 1.77 0.00 -1.71 0.00 0.00 66.02 63.93 1afr s SER 184 CO 0.00 -0.19 2.18 -0.65 1.20 0.00 0.00 173.24 175.78 1afr h PRO 185 N 8.41 0.00 -0.03 5.44 0.11 -1.91 0.29 132.00 144.31 1afr h PRO 185 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1afr h PRO 185 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1afr h PRO 185 CO 0.62 0.00 -0.01 1.88 -0.21 0.00 0.00 178.00 180.28 1afr h TYR 186 N 0.00 0.06 -0.20 0.65 0.05 -1.92 -1.74 116.97 113.87 1afr h TYR 186 Ca 0.04 -0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.68 1afr h TYR 186 Cb 0.25 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.98 1afr h TYR 186 CO 0.00 0.44 -0.37 -0.07 -1.05 0.00 0.00 178.16 177.11 1afr h LEU 187 N -0.33 0.68 -0.12 3.88 3.38 -1.54 -3.20 115.31 118.06 1afr h LEU 187 Ca 0.01 -0.54 0.03 0.00 0.09 0.00 0.00 57.88 57.47 1afr h LEU 187 Cb 0.42 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1afr h LEU 187 CO 0.00 1.09 -0.06 1.23 0.09 0.00 0.00 178.44 180.80 1afr h GLY 188 N 0.29 0.05 2.00 0.83 0.00 -0.50 -1.70 103.07 104.04 1afr h GLY 188 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1afr h GLY 188 CO 0.08 -0.07 0.00 0.74 0.00 0.00 0.00 176.54 177.29 1afr h PHE 189 N -0.05 0.00 0.05 5.60 0.04 -1.42 -1.11 116.94 120.05 1afr h PHE 189 Ca 0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 1afr h PHE 189 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1afr h PHE 189 CO -0.19 0.00 -0.02 0.82 -0.60 0.00 0.00 178.31 178.32 1afr h ILE 190 N 0.00 1.30 -0.05 -0.55 1.08 -1.47 -2.68 117.51 115.15 1afr h ILE 190 Ca 0.00 -1.59 0.03 0.00 -0.39 0.00 0.00 64.86 62.91 1afr h ILE 190 Cb 0.50 2.29 -0.06 0.00 -3.07 0.00 0.00 36.82 36.48 1afr h ILE 190 CO 0.00 0.38 -0.45 0.22 -0.69 0.00 0.00 178.15 177.61 1afr h TYR 191 N -0.82 -1.30 -0.65 1.37 3.20 -1.01 -1.44 116.97 116.33 1afr h TYR 191 Ca -0.01 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1afr h TYR 191 Cb 0.66 0.57 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 1afr h TYR 191 CO 0.16 -0.51 0.43 1.79 -1.64 0.00 0.00 178.16 178.39 1afr h THR 192 N -0.57 1.13 -0.79 1.81 1.35 -1.33 -0.26 112.91 114.25 1afr h THR 192 Ca 0.05 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 1afr h THR 192 Cb 0.66 0.23 -0.04 0.00 -1.73 0.00 0.00 68.15 67.28 1afr h THR 192 CO -0.36 0.15 0.46 0.28 -0.25 0.00 0.00 175.52 175.80 1afr h SER 193 N 0.83 0.96 0.30 5.36 0.02 -0.99 -0.07 113.55 119.95 1afr h SER 193 Ca 0.25 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1afr h SER 193 Cb -0.02 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.28 1afr h SER 193 CO -0.06 0.76 -0.14 0.15 -1.14 0.00 0.00 176.83 176.39 1afr h PHE 194 N 1.08 -0.37 -0.94 3.45 3.04 -0.23 -2.94 116.94 120.03 1afr h PHE 194 Ca 0.28 -0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.30 1afr h PHE 194 Cb -0.01 0.12 -0.07 0.00 2.56 0.00 0.00 35.95 38.55 1afr h PHE 194 CO -0.00 -0.04 0.59 1.96 -2.02 0.00 0.00 178.31 178.80 1afr h GLN 195 N -0.74 1.01 -0.74 1.11 1.08 -0.94 0.34 115.11 116.24 1afr h GLN 195 Ca -0.04 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.08 1afr h GLN 195 Cb 0.50 -0.23 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1afr h GLN 195 CO 0.07 0.67 0.37 0.93 -0.95 0.00 0.00 178.83 179.92 1afr h GLU 196 N 1.04 1.04 -0.05 1.46 4.39 -1.03 -0.38 114.58 121.05 1afr h GLU 196 Ca 0.42 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.81 1afr h GLU 196 Cb 0.24 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1afr h GLU 196 CO -0.20 0.79 -0.72 -0.09 -1.16 0.00 0.00 179.01 177.63 1afr h ARG 197 N 1.04 0.29 0.11 2.33 2.43 -1.08 -1.65 114.38 117.86 1afr h ARG 197 Ca 0.26 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1afr h ARG 197 Cb 0.08 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1afr h ARG 197 CO -0.04 0.89 -0.05 0.00 -1.51 0.00 0.00 179.97 179.26 1afr h ALA 198 N 1.04 -0.15 -0.76 2.80 0.00 -0.23 -1.99 119.26 119.97 1afr h ALA 198 Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1afr h ALA 198 Cb 1.29 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 1afr h ALA 198 CO 0.12 -0.53 0.27 1.79 0.00 0.00 0.00 179.25 180.90 1afr h THR 199 N -0.25 1.26 -0.95 0.00 1.35 -1.08 -0.82 112.91 112.42 1afr h THR 199 Ca -0.02 -0.85 0.06 0.00 -0.55 0.00 0.00 66.41 65.06 1afr h THR 199 Cb 0.20 0.38 -0.06 0.00 -1.73 0.00 0.00 68.15 66.94 1afr h THR 199 CO 0.03 0.34 0.61 0.15 -0.25 0.00 0.00 175.52 176.40 1afr h PHE 200 N 1.11 1.13 0.32 4.73 3.57 -1.18 0.56 116.94 127.18 1afr h PHE 200 Ca 0.25 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.76 1afr h PHE 200 Cb 0.25 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1afr h PHE 200 CO 0.02 0.59 -0.15 0.82 -2.23 0.00 0.00 178.31 177.36 1afr h ILE 201 N 1.12 0.63 -0.15 1.41 2.04 -0.61 -0.77 117.51 121.17 1afr h ILE 201 Ca 0.41 -0.67 0.05 0.00 1.00 0.00 0.00 64.86 65.65 1afr h ILE 201 Cb 0.15 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.11 1afr h ILE 201 CO -0.17 0.12 -0.24 0.28 0.00 0.00 0.00 178.15 178.14 1afr h SER 202 N -0.84 -0.76 0.11 1.72 0.02 -0.99 0.13 113.55 112.94 1afr h SER 202 Ca -0.04 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1afr h SER 202 Cb 0.52 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1afr h SER 202 CO 0.07 -0.29 -0.15 0.45 -1.14 0.00 0.00 176.83 175.77 1afr h HIS 203 N -0.30 0.10 0.02 3.45 3.86 -0.96 -1.02 115.15 120.31 1afr h HIS 203 Ca 0.11 -0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 59.07 1afr h HIS 203 Cb 0.46 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1afr h HIS 203 CO -0.35 0.25 -0.99 0.78 0.86 0.00 0.00 177.93 178.48 1afr h GLY 204 N 0.61 0.46 0.84 2.45 0.00 -0.26 -2.41 103.07 104.75 1afr h GLY 204 Ca 0.02 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.40 1afr h GLY 204 CO 0.02 0.75 -0.30 3.43 0.00 0.00 0.00 176.54 180.43 1afr h ASN 205 N 0.22 0.55 -0.65 0.19 2.35 -0.32 -1.54 115.58 116.39 1afr h ASN 205 Ca -0.09 -0.54 -0.02 0.00 -0.55 0.00 0.00 56.30 55.09 1afr h ASN 205 Cb 1.64 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.82 1afr h ASN 205 CO 0.17 0.99 0.34 0.71 -1.65 0.00 0.00 177.43 177.99 1afr h THR 206 N 0.13 1.21 -0.36 2.81 1.35 -1.29 0.19 112.91 116.96 1afr h THR 206 Ca 0.01 -0.56 0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1afr h THR 206 Cb 0.89 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.63 1afr h THR 206 CO 0.07 0.24 0.22 0.00 -0.25 0.00 0.00 175.52 175.80 1afr h ALA 207 N 1.44 0.45 -0.26 6.62 0.00 -1.27 0.69 119.26 126.94 1afr h ALA 207 Ca 0.23 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1afr h ALA 207 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1afr h ALA 207 CO -0.03 -0.11 -0.13 -0.09 0.00 0.00 0.00 179.25 178.88 1afr h ARG 208 N 0.45 0.54 0.15 0.00 2.43 -0.56 -3.10 114.38 114.29 1afr h ARG 208 Ca 0.14 -0.24 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1afr h ARG 208 Cb -0.02 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1afr h ARG 208 CO -0.05 0.80 -0.07 1.96 -1.51 0.00 0.00 179.97 181.10 1afr h GLN 209 N 0.27 -0.19 -0.97 0.20 4.20 -0.37 -2.42 115.11 115.83 1afr h GLN 209 Ca 0.06 0.01 0.22 0.00 0.06 0.00 0.00 58.65 59.00 1afr h GLN 209 Cb 0.64 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.38 1afr h GLN 209 CO 0.04 -0.06 0.63 0.00 -0.67 0.00 0.00 178.83 178.77 1afr h ALA 210 N 0.57 2.13 -0.87 3.87 0.00 -0.94 0.77 119.26 124.79 1afr h ALA 210 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1afr h ALA 210 Cb 0.22 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1afr h ALA 210 CO 0.03 -0.47 0.44 -0.22 0.00 0.00 0.00 179.25 179.04 1afr h LYS 211 N 0.47 1.24 0.00 0.00 3.64 -1.37 0.16 116.57 120.71 1afr h LYS 211 Ca 0.53 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1afr h LYS 211 Cb 1.24 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1afr h LYS 211 CO -0.25 0.93 0.00 0.39 -2.27 0.00 0.00 179.45 178.25 1afr n GLU 212 N -4.32 0.12 -0.24 1.90 -0.58 0.26 -1.34 120.64 116.45 1afr n GLU 212 Ca 0.09 0.40 0.12 0.00 -0.42 0.00 0.00 57.16 57.34 1afr n GLU 212 Cb 0.12 -1.75 0.24 0.00 -0.57 0.00 0.00 31.44 29.49 1afr n GLU 212 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1afr n HIS 213 N -1.97 0.62 -0.61 -0.32 8.25 0.53 -4.96 115.22 116.76 1afr n HIS 213 Ca 0.02 -0.32 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1afr n HIS 213 Cb 0.18 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1afr n HIS 213 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1afr n GLY 214 N 1.54 0.76 3.23 -1.41 0.00 -0.45 -4.77 105.19 104.09 1afr n GLY 214 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1afr n GLY 214 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1afr s ASP 215 N -2.59 6.19 0.35 1.61 -1.08 -0.99 -4.91 116.67 115.26 1afr s ASP 215 Ca 0.00 -2.87 0.16 0.00 -0.52 0.00 0.00 52.55 49.32 1afr s ASP 215 Cb 0.00 -2.06 0.64 0.00 -1.46 0.00 0.00 42.92 40.04 1afr s ASP 215 CO 0.00 -0.46 1.74 0.16 0.52 0.00 0.00 175.17 177.13 1afr h ILE 216 N 4.85 1.10 -0.21 4.11 3.07 -1.89 -2.27 117.51 126.27 1afr h ILE 216 Ca 0.07 -1.58 -0.15 0.00 1.55 0.00 0.00 64.86 64.75 1afr h ILE 216 Cb 0.99 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 39.44 1afr h ILE 216 CO 0.75 0.42 -0.50 0.11 -1.05 0.00 0.00 178.15 177.89 1afr h LYS 217 N 0.00 0.57 0.00 0.16 1.57 -1.98 0.11 116.57 117.00 1afr h LYS 217 Ca -0.00 -0.33 -0.09 0.00 -1.87 0.00 0.00 60.65 58.35 1afr h LYS 217 Cb 0.87 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1afr h LYS 217 CO 0.06 0.94 -0.45 1.25 -0.57 0.00 0.00 179.45 180.67 1afr h LEU 218 N 0.45 0.00 -0.29 2.94 5.85 -1.92 -1.09 115.31 121.25 1afr h LEU 218 Ca 0.02 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.62 1afr h LEU 218 Cb 1.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1afr h LEU 218 CO 0.09 0.45 -0.30 0.00 -0.34 0.00 0.00 178.44 178.35 1afr h ALA 219 N 1.55 0.43 -0.50 1.25 0.00 -0.93 -1.79 119.26 119.27 1afr h ALA 219 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1afr h ALA 219 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1afr h ALA 219 CO 0.06 0.45 0.22 1.96 0.00 0.00 0.00 179.25 181.94 1afr h GLN 220 N 0.46 0.74 0.44 0.00 4.20 -0.40 -1.13 115.11 119.41 1afr h GLN 220 Ca 0.05 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1afr h GLN 220 Cb 0.87 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 1afr h GLN 220 CO 0.07 0.64 -0.49 0.82 -0.67 0.00 0.00 178.83 179.21 1afr h ILE 221 N 0.67 0.00 -0.28 2.54 2.04 -1.05 -0.53 117.51 120.90 1afr h ILE 221 Ca 0.17 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 1afr h ILE 221 Cb 0.16 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1afr h ILE 221 CO -0.02 0.00 0.06 0.00 0.00 0.00 0.00 178.15 178.20 1afr h GLY 223 N 0.62 0.67 1.50 0.00 0.00 -1.02 -1.87 103.07 102.98 1afr h GLY 223 Ca 0.10 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.63 1afr h GLY 223 CO -0.00 0.68 0.10 -0.84 0.00 0.00 0.00 176.54 176.47 1afr h THR 224 N 0.31 1.19 -0.32 4.70 2.02 -0.91 0.01 112.91 119.91 1afr h THR 224 Ca 0.02 -0.70 -0.16 0.00 0.77 0.00 0.00 66.41 66.35 1afr h THR 224 Cb 0.92 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1afr h THR 224 CO 0.08 0.25 -0.41 0.40 0.37 0.00 0.00 175.52 176.21 1afr h ILE 225 N 0.62 1.28 -0.65 3.11 2.04 -1.44 -3.10 117.51 119.38 1afr h ILE 225 Ca 0.14 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 1afr h ILE 225 Cb 0.25 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1afr h ILE 225 CO -0.00 0.52 0.32 0.00 0.00 0.00 0.00 178.15 178.99 1afr h ALA 226 N 0.72 0.84 -0.66 1.87 0.00 -0.71 -2.59 119.26 118.72 1afr h ALA 226 Ca 0.04 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1afr h ALA 226 Cb 1.01 -0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 1afr h ALA 226 CO 0.10 0.40 0.25 0.00 0.00 0.00 0.00 179.25 180.00 1afr h ALA 227 N 1.15 0.88 -0.74 0.00 0.00 -0.98 0.07 119.26 119.64 1afr h ALA 227 Ca 0.23 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1afr h ALA 227 Cb 0.11 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1afr h ALA 227 CO -0.03 -0.19 0.42 -0.44 0.00 0.00 0.00 179.25 179.01 1afr h ASP 228 N 0.43 0.91 -0.90 0.00 5.19 -1.40 -2.69 116.42 117.96 1afr h ASP 228 Ca 0.34 -0.09 0.03 0.00 -0.62 0.00 0.00 57.03 56.70 1afr h ASP 228 Cb 0.46 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.69 1afr h ASP 228 CO -0.34 0.73 0.59 -0.33 -3.12 0.00 0.00 179.24 176.77 1afr h GLU 229 N 1.01 1.13 -0.68 3.56 4.39 -0.68 -2.39 114.58 120.91 1afr h GLU 229 Ca 0.26 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.86 1afr h GLU 229 Cb 0.01 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.38 1afr h GLU 229 CO -0.04 0.75 0.31 -0.22 -1.16 0.00 0.00 179.01 178.64 1afr h LYS 230 N 1.16 1.00 -0.59 2.33 3.64 -1.01 -0.11 116.57 122.99 1afr h LYS 230 Ca 0.35 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 1afr h LYS 230 Cb -0.04 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 1afr h LYS 230 CO -0.09 0.80 0.11 0.00 -2.27 0.00 0.00 179.45 178.00 1afr h ARG 231 N 0.96 0.95 -0.45 1.90 3.08 -1.37 0.80 114.38 120.25 1afr h ARG 231 Ca 0.23 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1afr h ARG 231 Cb 0.15 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1afr h ARG 231 CO -0.03 0.87 -0.13 0.45 -1.07 0.00 0.00 179.97 180.06 1afr h HIS 232 N 0.90 0.94 0.15 3.04 3.86 -0.98 -1.73 115.15 121.33 1afr h HIS 232 Ca 0.19 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1afr h HIS 232 Cb 0.37 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1afr h HIS 232 CO 0.02 0.92 -0.07 1.49 0.86 0.00 0.00 177.93 181.16 1afr h GLU 233 N 0.76 -0.19 -0.49 2.45 4.81 -0.49 -2.09 114.58 119.34 1afr h GLU 233 Ca 0.12 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1afr h GLU 233 Cb 0.65 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.98 1afr h GLU 233 CO 0.05 0.02 -0.13 1.15 -0.73 0.00 0.00 179.01 179.36 1afr h THR 234 N -0.37 0.50 -0.68 0.32 2.02 -0.62 -0.34 112.91 113.74 1afr h THR 234 Ca -0.02 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 1afr h THR 234 Cb 0.29 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1afr h THR 234 CO 0.03 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.10 1afr h ALA 235 N 1.48 1.03 -0.20 6.16 0.00 -1.26 -2.56 119.26 123.91 1afr h ALA 235 Ca 0.24 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1afr h ALA 235 Cb 0.37 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1afr h ALA 235 CO -0.51 0.64 -0.23 1.88 0.00 0.00 0.00 179.25 181.03 1afr h TYR 236 N 1.02 0.62 -0.64 0.00 0.05 -0.63 -2.81 116.97 114.58 1afr h TYR 236 Ca 0.22 -0.19 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1afr h TYR 236 Cb 0.34 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1afr h TYR 236 CO 0.03 0.88 0.42 1.79 -1.05 0.00 0.00 178.16 180.22 1afr h THR 237 N 0.18 1.16 -0.70 -2.88 1.35 -1.06 -1.66 112.91 109.31 1afr h THR 237 Ca 0.03 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1afr h THR 237 Cb 0.78 0.22 -0.03 0.00 -1.73 0.00 0.00 68.15 67.39 1afr h THR 237 CO 0.05 0.16 0.45 0.11 -0.25 0.00 0.00 175.52 176.05 1afr h LYS 238 N 0.86 0.94 -0.76 4.72 1.79 -1.36 0.25 116.57 123.01 1afr h LYS 238 Ca 0.23 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1afr h LYS 238 Cb -0.10 -0.21 -0.04 0.00 -1.58 0.00 0.00 32.23 30.31 1afr h LYS 238 CO -0.05 0.63 0.39 0.82 -1.08 0.00 0.00 179.45 180.17 1afr h ILE 239 N 0.96 1.23 0.02 1.86 2.04 -1.05 -1.52 117.51 121.05 1afr h ILE 239 Ca 0.26 -0.60 -0.26 0.00 1.00 0.00 0.00 64.86 65.26 1afr h ILE 239 Cb -0.09 0.23 0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1afr h ILE 239 CO -0.05 0.26 -1.05 0.58 0.00 0.00 0.00 178.15 177.89 1afr h VAL 240 N 1.06 1.32 -0.46 1.67 2.07 -1.05 -2.63 116.25 118.24 1afr h VAL 240 Ca 0.27 -2.36 0.06 0.00 0.82 0.00 0.00 66.70 65.49 1afr h VAL 240 Cb 0.06 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1afr h VAL 240 CO -0.04 0.72 0.15 -0.08 0.02 0.00 0.00 177.57 178.34 1afr h GLU 241 N 0.32 0.30 0.00 1.57 4.81 -0.17 0.22 114.58 121.63 1afr h GLU 241 Ca -0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1afr h GLU 241 Cb 1.71 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.02 1afr h GLU 241 CO 0.20 0.20 0.00 1.63 -0.73 0.00 0.00 179.01 180.31 1afr n LYS 242 N -5.02 0.42 0.00 1.92 4.76 -0.60 -1.84 118.16 117.79 1afr n LYS 242 Ca 0.04 0.05 0.11 0.00 -2.87 0.00 0.00 58.31 55.64 1afr n LYS 242 Cb 0.18 -1.50 0.07 0.00 -1.84 0.00 0.00 35.03 31.94 1afr n LYS 242 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1afr n LEU 243 N -1.24 1.26 0.05 -0.35 4.77 0.00 -3.96 117.00 117.54 1afr n LEU 243 Ca 0.13 -0.46 -0.19 0.00 -0.03 0.00 0.00 56.01 55.45 1afr n LEU 243 Cb 0.18 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 1afr n LEU 243 CO 0.18 0.26 -0.49 -0.26 -1.33 0.00 0.00 177.39 175.74 1afr h PHE 244 N 1.00 0.54 -0.04 -1.77 0.04 -0.67 -2.83 116.94 113.22 1afr h PHE 244 Ca 0.00 -0.39 -0.17 0.00 2.80 0.00 0.00 57.97 60.21 1afr h PHE 244 Cb 0.58 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.70 1afr h PHE 244 CO 0.00 1.54 -0.73 1.05 -0.60 0.00 0.00 178.31 179.57 1afr h GLU 245 N 0.08 0.22 0.06 1.51 4.11 -1.72 -2.00 114.58 116.83 1afr h GLU 245 Ca -0.31 -0.19 -0.28 0.00 0.07 0.00 0.00 59.36 58.65 1afr h GLU 245 Cb 2.05 0.04 0.02 0.00 0.50 0.00 0.00 28.75 31.37 1afr h GLU 245 CO 0.15 0.85 -1.13 0.82 0.07 0.00 0.00 179.01 179.78 1afr h ILE 246 N 0.15 1.30 -2.02 -1.06 2.04 -1.71 -3.42 117.51 112.78 1afr h ILE 246 Ca -0.02 -2.39 -0.43 0.00 1.00 0.00 0.00 64.86 63.02 1afr h ILE 246 Cb 1.29 2.54 -0.32 0.00 -0.74 0.00 0.00 36.82 39.58 1afr h ILE 246 CO 0.11 0.73 -0.76 -0.62 0.00 0.00 0.00 178.15 177.62 1afr s ASP 247 N -7.32 1.17 0.27 1.72 -1.08 -1.07 -4.99 116.67 105.37 1afr s ASP 247 Ca -0.09 -2.04 0.06 0.00 -0.52 0.00 0.00 52.55 49.96 1afr s ASP 247 Cb 0.07 0.35 0.36 0.00 -1.46 0.00 0.00 42.92 42.24 1afr s ASP 247 CO 0.92 -0.22 1.64 1.55 0.52 0.00 0.00 175.17 179.58 1afr h PRO 248 N 6.48 0.24 0.16 4.34 0.13 -1.56 -2.80 132.00 138.98 1afr h PRO 248 Ca 0.11 -0.14 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1afr h PRO 248 Cb 1.02 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1afr h PRO 248 CO 0.22 0.68 -0.07 -0.44 -0.23 0.00 0.00 178.00 178.16 1afr h ASP 249 N 0.20 -0.18 -0.66 1.44 3.32 -1.90 -2.46 116.42 116.18 1afr h ASP 249 Ca 0.01 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.14 1afr h ASP 249 Cb 0.94 0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.49 1afr h ASP 249 CO 0.08 -0.12 0.43 1.23 -1.72 0.00 0.00 179.24 179.14 1afr h GLY 250 N -0.23 0.80 2.00 2.75 0.00 -1.95 -1.53 103.07 104.90 1afr h GLY 250 Ca -0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 46.94 1afr h GLY 250 CO 0.04 0.17 -0.56 -0.84 0.00 0.00 0.00 176.54 175.35 1afr h THR 251 N 0.61 1.15 0.25 4.70 2.02 -1.57 -0.57 112.91 119.51 1afr h THR 251 Ca 0.29 -2.11 -0.34 0.00 0.77 0.00 0.00 66.41 65.02 1afr h THR 251 Cb 0.35 2.23 0.04 0.00 -1.74 0.00 0.00 68.15 69.02 1afr h THR 251 CO -0.09 0.55 -1.47 0.58 0.37 0.00 0.00 175.52 175.46 1afr h VAL 252 N 0.00 1.29 -0.72 3.16 2.07 -1.00 -2.32 116.25 118.73 1afr h VAL 252 Ca -0.01 -2.71 -0.06 0.00 0.82 0.00 0.00 66.70 64.75 1afr h VAL 252 Cb 1.18 3.03 -0.03 0.00 -1.52 0.00 0.00 31.29 33.95 1afr h VAL 252 CO 0.07 0.81 0.22 -0.07 0.02 0.00 0.00 177.57 178.63 1afr h LEU 253 N 0.15 1.05 -0.01 2.57 3.38 -1.26 -1.44 115.31 119.75 1afr h LEU 253 Ca -0.25 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1afr h LEU 253 Cb 2.16 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.64 1afr h LEU 253 CO 0.28 0.97 -0.00 0.00 0.09 0.00 0.00 178.44 179.78 1afr h ALA 254 N 1.16 0.01 -0.83 1.53 0.00 -1.16 0.61 119.26 120.59 1afr h ALA 254 Ca 0.23 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1afr h ALA 254 Cb 0.30 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1afr h ALA 254 CO -0.01 -0.33 0.48 0.35 0.00 0.00 0.00 179.25 179.73 1afr h PHE 255 N -0.30 0.86 -0.21 0.00 3.57 -1.27 -0.96 116.94 118.64 1afr h PHE 255 Ca 0.00 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.35 1afr h PHE 255 Cb 0.31 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1afr h PHE 255 CO 0.03 0.35 -0.59 0.00 -2.23 0.00 0.00 178.31 175.87 1afr h ALA 256 N 1.46 0.56 -0.41 2.41 0.00 -1.16 -3.11 119.26 119.01 1afr h ALA 256 Ca 0.40 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1afr h ALA 256 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1afr h ALA 256 CO -0.25 0.69 0.27 0.22 0.00 0.00 0.00 179.25 180.18 1afr h ASP 257 N 0.52 0.47 -0.75 0.00 3.58 0.26 -1.05 116.42 119.45 1afr h ASP 257 Ca 0.00 -0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1afr h ASP 257 Cb 1.17 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.06 1afr h ASP 257 CO 0.12 0.34 0.49 0.24 -2.88 0.00 0.00 179.24 177.56 1afr h MET 258 N 0.55 0.86 0.00 0.28 2.86 -1.23 -1.70 114.93 116.55 1afr h MET 258 Ca 0.15 -0.05 -0.23 0.00 -2.06 0.00 0.00 59.70 57.51 1afr h MET 258 Cb -0.06 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.41 1afr h MET 258 CO -0.03 0.57 -0.95 0.52 1.06 0.00 0.00 176.91 178.08 1afr h MET 259 N 0.89 0.43 -0.70 1.72 2.86 -1.37 0.58 114.93 119.35 1afr h MET 259 Ca 0.31 -0.47 0.09 0.00 -2.06 0.00 0.00 59.70 57.57 1afr h MET 259 Cb 0.10 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1afr h MET 259 CO -0.09 1.12 0.46 0.00 1.06 0.00 0.00 176.91 179.46 1afr h ARG 260 N 0.24 0.60 0.11 1.72 3.08 -0.47 -0.58 114.38 119.08 1afr h ARG 260 Ca -0.08 -0.04 -0.30 0.00 0.07 0.00 0.00 59.98 59.63 1afr h ARG 260 Cb 1.59 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 1afr h ARG 260 CO 0.17 0.39 -1.49 0.87 -1.07 0.00 0.00 179.97 178.84 1afr h LYS 261 N 0.61 0.23 0.00 0.04 1.57 -1.16 -3.51 116.57 114.35 1afr h LYS 261 Ca 0.32 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1afr h LYS 261 Cb 0.43 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1afr h LYS 261 CO -0.11 1.09 0.00 1.63 -0.57 0.00 0.00 179.45 181.50 1afr n LYS 262 N -3.44 0.00 -2.34 3.15 5.02 0.20 -4.88 118.16 115.87 1afr n LYS 262 Ca -0.15 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.73 1afr n LYS 262 Cb 1.04 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 36.02 1afr n LYS 262 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1afr s ILE 263 N -1.73 3.70 -0.02 -0.18 -1.09 -1.25 -4.87 121.20 115.77 1afr s ILE 263 Ca 0.00 0.56 -0.24 0.00 -2.23 0.00 0.00 60.65 58.74 1afr s ILE 263 Cb 0.00 -4.39 -0.04 0.00 -1.58 0.00 0.00 42.46 36.45 1afr s ILE 263 CO 0.00 -1.18 0.74 -0.94 -1.23 0.00 0.00 174.94 172.33 1afr s SER 264 N 4.95 7.10 0.38 3.58 1.04 -1.26 -5.04 113.70 124.45 1afr s SER 264 Ca 0.54 1.32 -0.27 0.00 0.48 0.00 0.00 55.95 58.02 1afr s SER 264 Cb -0.11 -2.44 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 1afr s SER 264 CO 0.23 -0.07 1.30 -0.04 0.98 0.00 0.00 173.24 175.64 1afr s MET 265 N 0.47 4.12 0.35 4.02 1.00 -1.26 -4.94 119.30 123.06 1afr s MET 265 Ca 0.39 2.16 0.05 0.00 0.00 0.00 0.00 55.69 58.30 1afr s MET 265 Cb -0.19 -2.87 0.71 0.00 0.00 0.00 0.00 34.83 32.48 1afr s MET 265 CO 0.21 -0.37 1.94 -1.00 0.00 0.00 0.00 175.02 175.79 1afr h PRO 266 N 2.94 0.78 -0.95 2.03 0.13 -2.00 -2.68 132.00 132.25 1afr h PRO 266 Ca -0.49 -0.05 -0.28 0.00 -0.87 0.00 0.00 66.00 64.31 1afr h PRO 266 Cb 1.24 -0.18 -0.17 0.00 0.13 0.00 0.00 31.00 32.03 1afr h PRO 266 CO 0.64 0.51 0.35 0.00 -0.23 0.00 0.00 178.00 179.27 1afr n ALA 267 N -2.44 4.33 0.50 -0.56 0.00 -1.26 -4.49 120.51 116.59 1afr n ALA 267 Ca 0.12 -1.78 0.12 0.00 0.00 0.00 0.00 53.44 51.91 1afr n ALA 267 Cb 0.26 -1.26 0.46 0.00 0.00 0.00 0.00 19.45 18.91 1afr n ALA 267 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1afr n HIS 268 N -0.40 0.76 -0.64 0.00 1.44 -1.01 -2.43 115.22 112.94 1afr n HIS 268 Ca 0.35 0.27 0.06 0.00 -2.01 0.00 0.00 57.72 56.40 1afr n HIS 268 Cb 1.20 -0.94 0.35 0.00 0.12 0.00 0.00 29.99 30.73 1afr n HIS 268 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1afr n LEU 269 N -2.17 5.11 -4.66 2.39 4.77 -1.26 -4.72 117.00 116.46 1afr n LEU 269 Ca 0.03 -2.59 -0.50 0.00 -0.03 0.00 0.00 56.01 52.93 1afr n LEU 269 Cb 0.29 -0.66 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 1afr n LEU 269 CO 0.23 0.59 1.23 0.80 -1.33 0.00 0.00 177.39 178.91 1afr n MET 270 N 0.58 1.80 -3.74 3.23 1.56 -1.02 -4.38 117.12 115.14 1afr n MET 270 Ca 0.24 0.65 -0.13 0.00 -0.27 0.00 0.00 57.70 58.20 1afr n MET 270 Cb 1.07 -2.40 -0.13 0.00 2.15 0.00 0.00 33.22 33.90 1afr n MET 270 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 1afr s TYR 271 N 2.04 -0.28 -0.38 1.12 5.04 -1.26 -4.09 117.35 119.53 1afr s TYR 271 Ca 0.86 0.69 0.16 0.00 -2.44 0.00 0.00 57.07 56.34 1afr s TYR 271 Cb -0.80 0.03 0.57 0.00 0.35 0.00 0.00 41.96 42.11 1afr s TYR 271 CO 0.47 -0.20 1.48 -0.40 -1.34 0.00 0.00 175.55 175.56 1afr n ASP 272 N 4.01 4.17 0.00 4.32 5.75 -1.26 -4.21 116.55 129.33 1afr n ASP 272 Ca -0.23 -2.82 0.00 0.00 -0.01 0.00 0.00 54.79 51.73 1afr n ASP 272 Cb 0.54 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1afr n ASP 272 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1afr n GLY 273 N -0.03 2.55 0.00 6.12 0.00 -1.26 -4.75 105.19 107.82 1afr n GLY 273 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1afr n GLY 273 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1afr n ARG 274 N -2.00 0.05 -3.97 1.61 1.85 -1.26 -4.92 116.66 108.02 1afr n ARG 274 Ca 0.00 -0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.54 1afr n ARG 274 Cb 0.00 -0.21 -0.16 0.00 -1.05 0.00 0.00 32.46 31.04 1afr n ARG 274 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1afr s ASP 275 N -0.01 3.53 0.36 2.89 -1.08 -1.26 -4.99 116.67 116.12 1afr s ASP 275 Ca 0.00 -0.98 0.17 0.00 -0.52 0.00 0.00 52.55 51.23 1afr s ASP 275 Cb 0.00 -1.20 0.64 0.00 -1.46 0.00 0.00 42.92 40.90 1afr s ASP 275 CO 0.00 -0.18 1.72 0.44 0.52 0.00 0.00 175.17 177.68 1afr h ASP 276 N 7.97 0.00 -1.20 -0.34 3.32 -1.94 -3.13 116.42 121.11 1afr h ASP 276 Ca -0.24 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.18 1afr h ASP 276 Cb 1.09 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 1afr h ASP 276 CO 0.45 0.41 -0.00 0.59 -1.72 0.00 0.00 179.24 178.96 1afr n ASN 277 N -3.60 6.11 -0.16 6.45 4.13 -1.26 -4.80 115.26 122.12 1afr n ASN 277 Ca -0.00 -3.77 -0.06 0.00 1.68 0.00 0.00 54.58 52.43 1afr n ASN 277 Cb 0.52 -0.67 0.04 0.00 -1.54 0.00 0.00 39.78 38.12 1afr n ASN 277 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1afr h LEU 278 N 2.36 0.46 -0.38 3.41 5.85 -1.71 -1.57 115.31 123.73 1afr h LEU 278 Ca 0.46 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 1afr h LEU 278 Cb 0.94 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1afr h LEU 278 CO 1.13 0.33 0.19 0.15 -0.34 0.00 0.00 178.44 179.89 1afr h PHE 279 N 0.58 0.55 -0.84 1.25 3.57 -1.85 0.13 116.94 120.33 1afr h PHE 279 Ca 0.20 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1afr h PHE 279 Cb 0.03 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1afr h PHE 279 CO -0.07 0.45 0.40 -0.44 -2.23 0.00 0.00 178.31 176.42 1afr h ASP 280 N 0.48 1.10 -0.21 0.41 3.32 -1.88 0.14 116.42 119.78 1afr h ASP 280 Ca 0.13 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1afr h ASP 280 Cb 0.11 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1afr h ASP 280 CO -0.02 0.93 -0.30 0.45 -1.72 0.00 0.00 179.24 178.58 1afr h HIS 281 N 1.19 0.83 -0.09 4.55 3.86 -0.86 -0.26 115.15 124.36 1afr h HIS 281 Ca 0.29 -0.21 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1afr h HIS 281 Cb 0.12 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1afr h HIS 281 CO 0.01 0.93 -0.02 0.35 0.86 0.00 0.00 177.93 180.07 1afr h PHE 282 N 0.61 0.19 -0.78 2.45 3.57 -0.44 -3.08 116.94 119.45 1afr h PHE 282 Ca 0.07 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1afr h PHE 282 Cb 0.82 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.46 1afr h PHE 282 CO 0.04 0.48 0.48 0.77 -2.23 0.00 0.00 178.31 177.85 1afr h SER 283 N -0.15 0.77 -0.75 0.41 0.02 -0.54 -2.20 113.55 111.12 1afr h SER 283 Ca 0.02 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1afr h SER 283 Cb 0.41 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 1afr h SER 283 CO 0.01 0.51 0.39 0.00 -1.14 0.00 0.00 176.83 176.61 1afr h ALA 284 N 1.36 1.04 -0.34 3.77 0.00 -1.02 0.12 119.26 124.20 1afr h ALA 284 Ca 0.33 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 1afr h ALA 284 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1afr h ALA 284 CO -0.15 0.00 -0.34 0.28 0.00 0.00 0.00 179.25 179.04 1afr h VAL 285 N 0.67 1.28 -0.63 0.00 2.07 -1.33 -0.03 116.25 118.28 1afr h VAL 285 Ca 0.36 -1.50 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1afr h VAL 285 Cb 0.36 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1afr h VAL 285 CO -0.26 0.49 0.04 0.00 0.02 0.00 0.00 177.57 177.86 1afr h ALA 286 N 0.98 0.84 0.34 1.67 0.00 -0.76 0.35 119.26 122.68 1afr h ALA 286 Ca 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1afr h ALA 286 Cb 0.88 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1afr h ALA 286 CO 0.08 0.66 -0.16 0.37 0.00 0.00 0.00 179.25 180.20 1afr h GLN 287 N 1.00 -0.44 -1.00 0.00 5.75 -0.58 0.10 115.11 119.94 1afr h GLN 287 Ca 0.18 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.78 1afr h GLN 287 Cb 0.52 0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.10 1afr h GLN 287 CO 0.02 -0.23 0.65 -0.09 -2.65 0.00 0.00 178.83 176.53 1afr h ARG 288 N -0.56 1.13 0.00 1.69 2.43 -0.79 -0.04 114.38 118.25 1afr h ARG 288 Ca -0.05 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1afr h ARG 288 Cb 0.41 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1afr h ARG 288 CO 0.08 0.75 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.12 1afr h LEU 289 N 1.16 0.00 0.00 3.80 4.07 -0.85 -3.47 115.31 120.02 1afr h LEU 289 Ca 0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.39 1afr h LEU 289 Cb 0.18 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1afr h LEU 289 CO -0.18 0.09 0.00 0.61 -1.08 0.00 0.00 178.44 177.88 1afr n GLY 290 N 0.85 0.68 0.13 0.83 0.00 -0.03 -4.96 105.19 102.68 1afr n GLY 290 Ca 0.03 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 1afr n GLY 290 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1afr h VAL 291 N 0.00 1.25 -1.58 1.61 2.07 -1.10 -3.44 116.25 115.06 1afr h VAL 291 Ca 0.00 -2.51 -0.16 0.00 0.82 0.00 0.00 66.70 64.85 1afr h VAL 291 Cb 0.31 2.96 -0.27 0.00 -1.52 0.00 0.00 31.29 32.77 1afr h VAL 291 CO 0.00 0.74 -0.52 -0.47 0.02 0.00 0.00 177.57 177.34 1afr s TYR 292 N -2.48 -1.12 0.55 1.57 5.04 -1.12 -4.03 117.35 115.76 1afr s TYR 292 Ca -0.16 0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.80 1afr s TYR 292 Cb 0.03 -0.08 0.03 0.00 0.35 0.00 0.00 41.96 42.29 1afr s TYR 292 CO 0.82 -1.01 0.79 0.95 -1.34 0.00 0.00 175.55 175.76 1afr s THR 293 N 2.45 2.96 0.26 4.34 -4.23 -1.26 -3.39 115.64 116.78 1afr s THR 293 Ca 0.11 -0.53 0.30 0.00 -1.18 0.00 0.00 61.69 60.38 1afr s THR 293 Cb -0.12 -3.13 0.31 0.00 1.34 0.00 0.00 72.50 70.91 1afr s THR 293 CO -0.26 -0.10 2.00 0.00 -0.54 0.00 0.00 174.62 175.71 1afr h ALA 294 N 0.04 1.10 -0.67 3.99 0.00 -1.95 -2.17 119.26 119.59 1afr h ALA 294 Ca -0.43 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 1afr h ALA 294 Cb 1.29 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 1afr h ALA 294 CO 0.55 0.14 0.20 0.87 0.00 0.00 0.00 179.25 181.00 1afr h LYS 295 N 0.00 1.06 -0.85 0.00 1.57 -1.94 -2.51 116.57 113.91 1afr h LYS 295 Ca -0.00 -0.24 0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1afr h LYS 295 Cb 0.49 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 1afr h LYS 295 CO 0.01 0.93 0.55 -0.44 -0.57 0.00 0.00 179.45 179.93 1afr h ASP 296 N 0.99 0.69 -0.44 0.86 3.32 -1.78 -0.04 116.42 120.03 1afr h ASP 296 Ca 0.22 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.34 1afr h ASP 296 Cb 0.32 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1afr h ASP 296 CO -0.00 0.39 0.18 0.22 -1.72 0.00 0.00 179.24 178.30 1afr h TYR 297 N 0.75 0.32 0.04 4.55 5.03 -1.50 0.36 116.97 126.52 1afr h TYR 297 Ca 0.40 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.73 1afr h TYR 297 Cb 0.53 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1afr h TYR 297 CO -0.00 0.13 -0.02 0.00 -1.32 0.00 0.00 178.16 176.95 1afr h ALA 298 N 1.27 -0.05 -0.99 1.82 0.00 -1.17 -2.50 119.26 117.64 1afr h ALA 298 Ca 0.20 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.13 1afr h ALA 298 Cb 0.17 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 1afr h ALA 298 CO -0.19 -0.37 0.60 -0.44 0.00 0.00 0.00 179.25 178.85 1afr h ASP 299 N -0.37 0.77 -0.23 0.00 5.19 -0.61 0.25 116.42 121.42 1afr h ASP 299 Ca -0.01 0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.36 1afr h ASP 299 Cb 0.34 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1afr h ASP 299 CO 0.01 0.28 -0.36 0.40 -3.12 0.00 0.00 179.24 176.45 1afr h ILE 300 N 0.77 1.28 -0.07 0.35 2.04 -0.89 -1.11 117.51 119.88 1afr h ILE 300 Ca 0.57 -1.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1afr h ILE 300 Cb 0.86 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1afr h ILE 300 CO -0.38 0.50 0.03 0.25 0.00 0.00 0.00 178.15 178.55 1afr h LEU 301 N 0.63 0.11 -0.85 1.44 5.85 -0.27 -1.21 115.31 121.01 1afr h LEU 301 Ca 0.06 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1afr h LEU 301 Cb 0.90 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1afr h LEU 301 CO 0.08 0.27 0.56 -0.08 -0.34 0.00 0.00 178.44 178.93 1afr h GLU 302 N -0.06 1.10 -0.07 1.25 4.81 -0.58 -1.06 114.58 119.97 1afr h GLU 302 Ca 0.02 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1afr h GLU 302 Cb 0.20 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1afr h GLU 302 CO -0.00 0.73 0.03 0.35 -0.73 0.00 0.00 179.01 179.39 1afr h PHE 303 N 1.14 0.11 -0.77 0.92 3.57 -1.02 -1.71 116.94 119.17 1afr h PHE 303 Ca 0.32 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1afr h PHE 303 Cb -0.11 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 1afr h PHE 303 CO -0.01 0.20 0.48 -0.07 -2.23 0.00 0.00 178.31 176.68 1afr h LEU 304 N -0.01 0.91 -0.29 0.59 3.38 -0.70 0.65 115.31 119.84 1afr h LEU 304 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1afr h LEU 304 Cb 0.13 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1afr h LEU 304 CO -0.00 0.68 0.07 0.58 0.09 0.00 0.00 178.44 179.86 1afr h VAL 305 N 1.06 1.22 0.00 1.22 2.07 -1.09 -1.25 116.25 119.48 1afr h VAL 305 Ca 0.28 -0.72 -0.14 0.00 0.82 0.00 0.00 66.70 66.93 1afr h VAL 305 Cb -0.07 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1afr h VAL 305 CO -0.06 0.24 -0.67 1.23 0.02 0.00 0.00 177.57 178.33 1afr h GLY 306 N 0.31 0.00 0.83 2.17 0.00 -0.73 -1.76 103.07 103.90 1afr h GLY 306 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 1afr h GLY 306 CO 0.00 0.00 -0.37 -0.09 0.00 0.00 0.00 176.54 176.08 1afr h ARG 307 N 0.00 0.49 -0.05 4.80 1.12 0.46 -2.96 114.38 118.23 1afr h ARG 307 Ca -0.01 -0.35 0.00 0.00 -1.11 0.00 0.00 59.98 58.52 1afr h ARG 307 Cb 1.21 0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1afr h ARG 307 CO 0.09 0.96 0.00 0.91 -3.11 0.00 0.00 179.97 178.82 1afr n TRP 308 N -4.33 0.06 -4.06 2.20 8.01 -0.49 -4.92 117.44 113.91 1afr n TRP 308 Ca -0.07 -0.03 -0.33 0.00 -1.31 0.00 0.00 57.50 55.76 1afr n TRP 308 Cb 0.52 0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 29.82 1afr n TRP 308 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1afr n LYS 309 N -0.24 -4.25 -0.01 -0.99 4.76 -0.83 -4.83 118.16 111.76 1afr n LYS 309 Ca 0.18 0.48 0.16 0.00 -2.87 0.00 0.00 58.31 56.26 1afr n LYS 309 Cb 0.23 -5.24 0.60 0.00 -1.84 0.00 0.00 35.03 28.79 1afr n LYS 309 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1afr h VAL 310 N -1.79 0.82 -0.66 -0.18 2.07 -1.65 -0.82 116.25 114.05 1afr h VAL 310 Ca -0.59 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 1afr h VAL 310 Cb 1.38 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1afr h VAL 310 CO 0.72 0.03 0.09 -2.24 0.02 0.00 0.00 177.57 176.19 1afr h ASP 311 N 0.17 1.06 -0.02 0.57 2.03 -1.88 -2.80 116.42 115.55 1afr h ASP 311 Ca 0.24 -0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.28 1afr h ASP 311 Cb 0.73 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.95 1afr h ASP 311 CO -0.04 1.06 0.00 0.29 -1.03 0.00 0.00 179.24 179.52 1afr n LYS 312 N -4.22 1.06 -3.07 4.15 5.02 -0.31 -4.88 118.16 115.91 1afr n LYS 312 Ca 0.04 -0.07 -0.36 0.00 -2.02 0.00 0.00 58.31 55.90 1afr n LYS 312 Cb 0.30 -1.23 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 1afr n LYS 312 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1afr s LEU 313 N -0.59 4.32 0.31 -0.35 1.43 -1.06 -5.07 118.68 117.67 1afr s LEU 313 Ca 0.01 1.45 0.06 0.00 -1.03 0.00 0.00 54.13 54.62 1afr s LEU 313 Cb 0.01 -3.66 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1afr s LEU 313 CO 0.01 0.01 0.24 0.42 0.23 0.00 0.00 176.35 177.25 1afr s THR 314 N -1.56 0.04 -0.94 5.49 -4.23 -1.26 -4.91 115.64 108.26 1afr s THR 314 Ca 0.44 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.90 1afr s THR 314 Cb -0.16 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.19 1afr s THR 314 CO 0.21 0.00 0.82 0.61 -0.54 0.00 0.00 174.62 175.72 1afr n GLY 315 N -0.58 -0.11 3.74 3.99 0.00 -1.26 -5.02 105.19 105.97 1afr n GLY 315 Ca 0.06 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1afr n GLY 315 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1afr s LEU 316 N -5.40 3.63 1.09 0.99 1.43 -1.26 -4.90 118.68 114.26 1afr s LEU 316 Ca 0.36 -0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 1afr s LEU 316 Cb -0.16 -2.29 0.24 0.00 0.03 0.00 0.00 46.19 44.01 1afr s LEU 316 CO 0.51 0.11 1.15 -0.94 0.23 0.00 0.00 176.35 177.42 1afr s SER 317 N -2.81 1.90 0.18 2.29 1.04 -1.26 -4.61 113.70 110.43 1afr s SER 317 Ca 0.29 0.66 -0.13 0.00 0.48 0.00 0.00 55.95 57.25 1afr s SER 317 Cb -0.11 -0.96 0.18 0.00 0.10 0.00 0.00 66.02 65.24 1afr s SER 317 CO 0.21 -3.52 1.70 0.00 0.98 0.00 0.00 173.24 172.61 1afr h ALA 318 N -2.17 0.51 -0.51 5.32 0.00 -2.00 0.35 119.26 120.76 1afr h ALA 318 Ca -0.47 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 1afr h ALA 318 Cb 1.29 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1afr h ALA 318 CO 0.42 -0.35 -0.17 0.93 0.00 0.00 0.00 179.25 180.08 1afr h GLU 319 N 0.18 1.02 -0.30 0.00 3.07 -1.99 -1.65 114.58 114.90 1afr h GLU 319 Ca 0.25 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.68 1afr h GLU 319 Cb 0.35 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.20 1afr h GLU 319 CO -0.36 1.10 0.14 0.78 -1.40 0.00 0.00 179.01 179.26 1afr h GLY 320 N 0.88 0.45 1.05 -3.84 0.00 -1.41 0.17 103.07 100.37 1afr h GLY 320 Ca 0.12 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.08 1afr h GLY 320 CO 0.06 0.19 -0.61 1.46 0.00 0.00 0.00 176.54 177.63 1afr h GLN 321 N 0.42 0.71 0.01 4.80 4.20 -0.04 -1.56 115.11 123.65 1afr h GLN 321 Ca 0.11 -0.54 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 1afr h GLN 321 Cb 0.07 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1afr h GLN 321 CO -0.01 1.16 -0.00 0.87 -0.67 0.00 0.00 178.83 180.17 1afr h LYS 322 N 0.41 -0.01 0.24 1.46 1.57 -0.46 -2.55 116.57 117.23 1afr h LYS 322 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1afr h LYS 322 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1afr h LYS 322 CO 0.13 0.05 -0.23 0.00 -0.57 0.00 0.00 179.45 178.83 1afr h ALA 323 N 0.91 -0.48 -0.76 3.86 0.00 -0.70 -0.29 119.26 121.79 1afr h ALA 323 Ca -0.00 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1afr h ALA 323 Cb 0.07 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1afr h ALA 323 CO 0.00 -0.80 0.34 0.37 0.00 0.00 0.00 179.25 179.16 1afr h GLN 324 N -0.50 0.50 -0.06 0.00 4.15 -1.26 0.89 115.11 118.82 1afr h GLN 324 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1afr h GLN 324 Cb 0.46 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 1afr h GLN 324 CO -0.04 0.33 0.01 0.22 -1.93 0.00 0.00 178.83 177.41 1afr h ASP 325 N 0.51 0.11 -0.38 -0.69 3.58 -1.22 -0.83 116.42 117.50 1afr h ASP 325 Ca 0.41 -0.28 0.08 0.00 0.42 0.00 0.00 57.03 57.65 1afr h ASP 325 Cb 0.57 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.52 1afr h ASP 325 CO -0.36 0.36 -0.09 0.22 -2.88 0.00 0.00 179.24 176.49 1afr h TYR 326 N -0.16 -0.19 -0.52 0.28 5.03 -0.08 0.64 116.97 121.98 1afr h TYR 326 Ca 0.02 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1afr h TYR 326 Cb 0.31 0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 1afr h TYR 326 CO 0.02 -0.16 0.23 0.28 -1.32 0.00 0.00 178.16 177.21 1afr h VAL 327 N 0.01 1.21 -0.03 1.81 2.07 -0.80 -1.05 116.25 119.47 1afr h VAL 327 Ca 0.18 -0.62 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1afr h VAL 327 Cb 0.28 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1afr h VAL 327 CO -0.39 0.24 -0.49 0.00 0.02 0.00 0.00 177.57 176.95 1afr h ARG 329 N 0.05 0.00 -0.03 0.00 3.08 -0.75 -3.40 114.38 113.33 1afr h ARG 329 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1afr h ARG 329 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 1afr h ARG 329 CO 0.07 0.28 -0.14 1.25 -1.07 0.00 0.00 179.97 180.36 1afr h LEU 330 N 0.00 -0.40 -0.62 3.04 5.85 -1.18 -3.09 115.31 118.91 1afr h LEU 330 Ca -0.09 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.78 1afr h LEU 330 Cb 1.42 0.18 -0.11 0.00 0.37 0.00 0.00 40.66 42.51 1afr h LEU 330 CO 0.04 -0.19 -0.45 -0.65 -0.34 0.00 0.00 178.44 176.85 1afr h PRO 331 N -0.21 -0.20 0.00 5.25 0.11 -1.78 0.19 132.00 135.36 1afr h PRO 331 Ca 0.06 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1afr h PRO 331 Cb 0.29 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1afr h PRO 331 CO -0.15 -0.14 -0.28 -1.00 -0.21 0.00 0.00 178.00 176.22 1afr h PRO 332 N -0.21 0.00 -0.06 1.05 0.13 -1.85 0.13 132.00 131.18 1afr h PRO 332 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1afr h PRO 332 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1afr h PRO 332 CO -0.72 0.28 -0.00 -0.09 -0.23 0.00 0.00 178.00 177.24 1afr h ARG 333 N 0.00 0.11 -0.36 0.86 2.43 -1.13 -1.41 114.38 114.89 1afr h ARG 333 Ca -0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1afr h ARG 333 Cb 0.63 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1afr h ARG 333 CO 0.04 0.40 0.09 0.82 -1.51 0.00 0.00 179.97 179.81 1afr h ILE 334 N -0.19 1.22 -0.31 1.20 2.04 -0.45 -1.16 117.51 119.87 1afr h ILE 334 Ca 0.02 -0.75 0.05 0.00 1.00 0.00 0.00 64.86 65.18 1afr h ILE 334 Cb 0.35 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 1afr h ILE 334 CO 0.00 0.25 0.02 -0.09 0.00 0.00 0.00 178.15 178.34 1afr h ARG 335 N 0.42 0.11 -0.43 2.37 2.43 -0.90 0.37 114.38 118.75 1afr h ARG 335 Ca 0.11 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1afr h ARG 335 Cb 0.29 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1afr h ARG 335 CO 0.00 0.07 0.13 0.00 -1.51 0.00 0.00 179.97 178.67 1afr h ARG 336 N 0.11 0.62 -0.23 0.20 -0.00 -1.07 0.28 114.38 114.29 1afr h ARG 336 Ca 0.15 -0.10 -0.12 0.00 -0.50 0.00 0.00 59.98 59.41 1afr h ARG 336 Cb 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 30.05 1afr h ARG 336 CO -0.23 0.55 -0.34 1.25 0.00 0.00 0.00 179.97 181.20 1afr h LEU 337 N 0.61 0.70 0.09 3.04 5.85 0.15 -3.38 115.31 122.37 1afr h LEU 337 Ca 0.14 -0.51 -0.37 0.00 0.84 0.00 0.00 57.88 57.99 1afr h LEU 337 Cb 0.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1afr h LEU 337 CO -0.01 1.08 -2.10 -0.62 -0.34 0.00 0.00 178.44 176.45 1afr n GLU 338 N -4.27 0.73 -0.73 1.25 -0.58 0.11 -4.65 120.64 112.50 1afr n GLU 338 Ca -0.05 0.23 -0.25 0.00 -0.42 0.00 0.00 57.16 56.68 1afr n GLU 338 Cb 0.50 -1.67 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 1afr n GLU 338 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1afr n GLU 339 N -3.39 1.64 0.00 3.49 2.13 0.97 -2.41 120.64 123.06 1afr n GLU 339 Ca -0.34 -1.41 0.00 0.00 0.66 0.00 0.00 57.16 56.07 1afr n GLU 339 Cb 1.04 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 30.25 1afr n GLU 339 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1afr n ARG 340 N 5.03 0.00 -2.81 5.31 0.63 -1.26 -4.89 116.66 118.67 1afr n ARG 340 Ca 0.40 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.90 1afr n ARG 340 Cb 0.18 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.05 1afr n ARG 340 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1afr s ALA 341 N 0.00 3.07 -0.02 5.13 0.00 -1.01 -4.72 121.76 124.20 1afr s ALA 341 Ca 0.00 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.36 1afr s ALA 341 Cb 0.00 -3.90 -0.08 0.00 0.00 0.00 0.00 23.12 19.15 1afr s ALA 341 CO 0.00 -2.78 0.09 0.00 0.00 0.00 0.00 175.76 173.08 1afr n GLN 342 N 7.91 0.88 -0.42 0.00 -0.00 -1.26 -4.19 117.38 120.30 1afr n GLN 342 Ca -0.02 -0.04 0.34 0.00 -0.00 0.00 0.00 57.00 57.29 1afr n GLN 342 Cb 0.46 -1.13 0.63 0.00 -0.00 0.00 0.00 30.24 30.20 1afr n GLN 342 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1afr h GLY 343 N 0.99 1.17 0.00 2.61 0.00 -2.01 -2.70 103.07 103.13 1afr h GLY 343 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1afr h GLY 343 CO 0.00 -0.31 -0.48 0.54 0.00 0.00 0.00 176.54 176.30 1afr n ARG 344 N -4.63 0.25 0.00 4.80 1.74 -1.26 -4.42 116.66 113.15 1afr n ARG 344 Ca 0.34 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1afr n ARG 344 Cb 1.32 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.86 1afr n ARG 344 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1afr n ALA 345 N -3.65 0.00 0.04 7.54 0.00 -1.11 0.16 120.51 123.50 1afr n ALA 345 Ca -0.07 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.19 1afr n ALA 345 Cb 0.25 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 1afr n ALA 345 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1afr h LYS 346 N 0.00 0.25 -0.32 0.00 3.64 -1.79 -3.35 116.57 115.01 1afr h LYS 346 Ca 0.00 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1afr h LYS 346 Cb 0.00 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1afr h LYS 346 CO 0.00 1.10 0.00 0.39 -2.27 0.00 0.00 179.45 178.67 1afr n GLU 347 N -3.43 1.73 -2.02 1.90 1.02 0.54 -4.93 120.64 115.44 1afr n GLU 347 Ca -0.22 -1.11 -0.42 0.00 -0.02 0.00 0.00 57.16 55.39 1afr n GLU 347 Cb 1.05 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 31.19 1afr n GLU 347 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1afr s ALA 348 N -1.59 3.67 1.20 0.62 0.00 0.43 -4.92 121.76 121.17 1afr s ALA 348 Ca 0.21 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 1afr s ALA 348 Cb 0.11 -3.64 0.29 0.00 0.00 0.00 0.00 23.12 19.88 1afr s ALA 348 CO 0.14 -0.92 1.04 -1.25 0.00 0.00 0.00 175.76 174.77 1afr s PRO 349 N 2.02 -1.20 0.07 0.00 0.04 -1.26 -4.27 135.00 130.40 1afr s PRO 349 Ca 0.70 0.36 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 1afr s PRO 349 Cb -0.39 -1.56 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 1afr s PRO 349 CO 0.31 -3.79 0.28 0.99 0.04 0.00 0.00 177.00 174.83 1afr s THR 350 N -2.67 5.29 -0.08 1.26 2.01 -1.26 -0.89 115.64 119.30 1afr s THR 350 Ca 0.68 -0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 1afr s THR 350 Cb -0.17 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.76 1afr s THR 350 CO 0.59 0.19 0.30 -0.32 -0.69 0.00 0.00 174.62 174.70 1afr s MET 351 N -2.28 0.47 0.23 4.92 0.00 -0.03 -4.92 119.30 117.69 1afr s MET 351 Ca 0.34 0.19 -0.21 0.00 0.00 0.00 0.00 55.69 56.01 1afr s MET 351 Cb -0.13 0.22 -0.08 0.00 0.00 0.00 0.00 34.83 34.83 1afr s MET 351 CO 0.22 -0.09 0.76 -1.25 0.00 0.00 0.00 175.02 174.66 1afr s PRO 352 N -0.38 4.33 -0.10 4.11 0.04 -1.26 -0.86 135.00 140.87 1afr s PRO 352 Ca -0.05 0.97 0.02 0.00 0.04 0.00 0.00 61.00 61.98 1afr s PRO 352 Cb -0.03 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1afr s PRO 352 CO 0.02 0.40 -0.17 -0.06 0.04 0.00 0.00 177.00 177.22 1afr s PHE 353 N -1.49 2.11 0.54 0.56 0.40 -0.87 -4.95 117.98 114.28 1afr s PHE 353 Ca 0.43 -0.95 0.28 0.00 -0.60 0.00 0.00 56.93 56.09 1afr s PHE 353 Cb -0.18 -1.48 1.69 0.00 0.51 0.00 0.00 43.02 43.56 1afr s PHE 353 CO 0.22 -0.45 2.20 0.66 0.70 0.00 0.00 175.22 178.55 1afr h SER 354 N 7.19 0.00 -0.01 1.36 4.64 -1.93 -0.18 113.55 124.62 1afr h SER 354 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1afr h SER 354 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1afr h SER 354 CO 0.49 0.03 0.01 -0.50 -0.87 0.00 0.00 176.83 175.99 1afr h TRP 355 N 0.00 0.00 -0.66 4.77 6.55 -1.92 -2.28 115.95 122.42 1afr h TRP 355 Ca -0.00 0.00 -0.48 0.00 0.95 0.00 0.00 58.89 59.36 1afr h TRP 355 Cb 0.09 0.00 -0.37 0.00 -0.86 0.00 0.00 29.16 28.02 1afr h TRP 355 CO 0.00 0.00 -0.74 0.44 -1.05 0.00 0.00 178.44 177.09 1afr n ILE 356 N -3.86 2.51 -2.67 1.49 -5.35 -0.18 -0.16 119.36 111.13 1afr n ILE 356 Ca -0.03 -4.06 -0.20 0.00 -0.27 0.00 0.00 62.75 58.19 1afr n ILE 356 Cb 0.09 -1.02 0.01 0.00 -1.74 0.00 0.00 39.64 36.98 1afr n ILE 356 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1afr n PHE 357 N -0.77 -1.38 -1.37 4.28 3.72 -0.86 -2.14 117.46 118.94 1afr n PHE 357 Ca 0.41 0.25 -0.13 0.00 -0.05 0.00 0.00 57.45 57.93 1afr n PHE 357 Cb 0.93 -4.00 -0.06 0.00 -0.94 0.00 0.00 39.48 35.42 1afr n PHE 357 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1afr n ASP 358 N -1.93 -4.64 -4.79 4.37 8.00 -0.58 -4.98 116.55 112.00 1afr n ASP 358 Ca -0.16 0.32 -0.32 0.00 0.71 0.00 0.00 54.79 55.34 1afr n ASP 358 Cb 0.64 -3.27 0.05 0.00 -0.02 0.00 0.00 41.12 38.51 1afr n ASP 358 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1afr s ARG 359 N -3.06 2.89 0.01 -1.24 0.52 -0.91 -4.49 118.95 112.67 1afr s ARG 359 Ca 0.00 1.16 0.04 0.00 -0.52 0.00 0.00 55.73 56.41 1afr s ARG 359 Cb 0.00 -1.98 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 1afr s ARG 359 CO 0.00 -1.15 -0.09 -0.65 0.02 0.00 0.00 175.30 173.43 1afr s GLN 360 N -4.53 2.48 0.11 3.54 -0.21 -1.26 -2.06 119.66 117.73 1afr s GLN 360 Ca 0.62 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 55.29 1afr s GLN 360 Cb -0.16 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 1afr s GLN 360 CO 0.47 0.59 -0.11 0.14 -2.12 0.00 0.00 175.29 174.27 1afr s VAL 361 N -0.97 1.05 0.34 1.09 -7.23 -0.04 -4.85 120.40 109.78 1afr s VAL 361 Ca 0.16 -1.75 -0.27 0.00 -1.81 0.00 0.00 61.98 58.32 1afr s VAL 361 Cb -0.11 -1.50 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 1afr s VAL 361 CO 0.07 -0.58 1.09 -0.75 -0.31 0.00 0.00 175.10 174.62 1afr s LYS 362 N -2.99 4.38 0.00 4.82 2.20 -1.26 -0.85 119.74 126.04 1afr s LYS 362 Ca 0.08 1.71 0.29 0.00 -0.36 0.00 0.00 55.97 57.69 1afr s LYS 362 Cb -0.02 -2.88 1.20 0.00 -1.51 0.00 0.00 37.83 34.61 1afr s LYS 362 CO 0.01 0.00 1.83 1.28 -0.36 0.00 0.00 175.35 178.11