#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 4.35 0.11 2.12 0.02 -1.26 -4.96 135.00 135.39 1afr s PRO 20 Ca 0.00 2.15 -0.31 0.00 0.02 0.00 0.00 61.00 62.86 1afr s PRO 20 Cb 0.00 -3.15 -0.10 0.00 0.02 0.00 0.00 34.50 31.27 1afr s PRO 20 CO 0.00 -0.29 1.81 -2.14 -0.33 0.00 0.00 177.00 176.05 1afr s PRO 21 N -0.43 4.15 0.39 5.54 0.02 -1.26 -5.01 135.00 138.39 1afr s PRO 21 Ca 0.56 2.55 0.08 0.00 0.02 0.00 0.00 61.00 64.21 1afr s PRO 21 Cb -0.39 -3.62 -0.00 0.00 0.02 0.00 0.00 34.50 30.52 1afr s PRO 21 CO 0.42 -0.83 0.48 1.03 -0.33 0.00 0.00 177.00 177.77 1afr s ARG 22 N 2.79 2.83 0.47 5.54 0.52 -1.26 -4.85 118.95 124.99 1afr s ARG 22 Ca 0.80 -1.25 -0.22 0.00 -0.52 0.00 0.00 55.73 54.54 1afr s ARG 22 Cb -0.45 -2.68 -0.07 0.00 0.52 0.00 0.00 34.95 32.27 1afr s ARG 22 CO 0.36 -0.14 1.13 -1.21 0.02 0.00 0.00 175.30 175.46 1afr s GLU 23 N -4.23 3.72 -0.62 3.54 0.41 -1.26 -4.97 118.70 115.29 1afr s GLU 23 Ca 0.50 1.67 0.02 0.00 -0.41 0.00 0.00 54.97 56.75 1afr s GLU 23 Cb -0.08 -2.31 0.39 0.00 -1.78 0.00 0.00 34.13 30.35 1afr s GLU 23 CO 0.31 -0.56 1.49 1.33 -0.49 0.00 0.00 175.26 177.34 1afr n VAL 24 N -0.65 2.96 -3.75 2.63 0.24 -1.26 -4.98 118.33 113.51 1afr n VAL 24 Ca 0.08 -4.72 -0.13 0.00 -2.04 0.00 0.00 64.34 57.53 1afr n VAL 24 Cb 0.49 -1.27 -0.09 0.00 -1.47 0.00 0.00 33.84 31.51 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 -3.77 -0.21 0.44 6.34 3.76 -1.26 -5.14 115.29 115.45 1afr s HIS 25 Ca 0.49 0.33 -0.23 0.00 -0.15 0.00 0.00 55.06 55.51 1afr s HIS 25 Cb 0.41 0.11 -0.08 0.00 1.11 0.00 0.00 32.58 34.13 1afr s HIS 25 CO -0.28 -0.38 1.13 0.14 -0.85 0.00 0.00 174.74 174.49 1afr s VAL 26 N -1.23 3.30 -0.57 -0.90 -7.23 -1.26 -4.96 120.40 107.55 1afr s VAL 26 Ca -0.13 0.97 -0.20 0.00 -1.81 0.00 0.00 61.98 60.81 1afr s VAL 26 Cb -0.05 -3.49 0.07 0.00 0.56 0.00 0.00 36.38 33.47 1afr s VAL 26 CO 0.04 -0.02 0.76 -1.58 -0.31 0.00 0.00 175.10 173.99 1afr s GLN 27 N -2.67 3.13 -0.05 4.82 0.74 -1.26 -5.03 119.66 119.34 1afr s GLN 27 Ca 0.62 -0.91 -0.12 0.00 0.05 0.00 0.00 55.36 55.00 1afr s GLN 27 Cb -0.26 -4.16 -0.05 0.00 1.10 0.00 0.00 33.01 29.63 1afr s GLN 27 CO 0.32 -1.46 0.31 0.08 -0.55 0.00 0.00 175.29 173.99 1afr s VAL 28 N 3.11 5.21 0.29 1.34 1.01 -1.26 -5.10 120.40 125.00 1afr s VAL 28 Ca 0.18 0.61 0.05 0.00 0.00 0.00 0.00 61.98 62.81 1afr s VAL 28 Cb -0.19 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.53 1afr s VAL 28 CO 0.11 0.59 -0.01 0.42 0.00 0.00 0.00 175.10 176.21 1afr s THR 29 N -1.00 1.43 -0.66 3.92 -4.23 -1.26 -4.45 115.64 109.39 1afr s THR 29 Ca 0.20 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.49 1afr s THR 29 Cb -0.15 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.14 1afr s THR 29 CO 0.10 -0.19 0.30 1.41 -0.54 0.00 0.00 174.62 175.70 1afr n HIS 30 N -0.61 -0.70 0.53 3.99 8.25 -0.59 -4.82 115.22 121.27 1afr n HIS 30 Ca -0.04 0.06 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 1afr n HIS 30 Cb 0.65 -1.43 0.45 0.00 1.12 0.00 0.00 29.99 30.77 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 -0.76 0.76 -4.70 0.41 3.41 -1.01 -4.75 113.62 106.98 1afr n SER 31 Ca -0.07 0.62 -0.41 0.00 -0.26 0.00 0.00 58.87 58.74 1afr n SER 31 Cb 0.30 -0.80 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 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 -3.20 4.46 -0.20 4.33 0.00 -1.26 -4.99 119.30 118.45 1afr s MET 32 Ca 0.08 1.18 -0.30 0.00 0.00 0.00 0.00 55.69 56.65 1afr s MET 32 Cb 0.11 -3.48 -0.07 0.00 0.00 0.00 0.00 34.83 31.39 1afr s MET 32 CO 0.51 -0.09 2.17 -2.30 0.00 0.00 0.00 175.02 175.31 1afr n PRO 33 N 4.19 1.97 -0.43 4.11 -0.02 -1.26 -4.90 135.00 138.67 1afr n PRO 33 Ca 0.04 0.58 0.35 0.00 -2.02 0.00 0.00 63.50 62.45 1afr n PRO 33 Cb 0.50 -3.06 0.56 0.00 -0.02 0.00 0.00 33.50 31.48 1afr n PRO 33 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1afr n PRO 34 N 8.39 -0.02 0.01 0.52 -0.02 -1.26 -0.61 135.00 142.01 1afr n PRO 34 Ca 0.30 0.93 0.12 0.00 -2.02 0.00 0.00 63.50 62.83 1afr n PRO 34 Cb 0.40 -1.92 0.53 0.00 -0.02 0.00 0.00 33.50 32.49 1afr n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1afr n GLN 35 N -3.99 0.03 0.05 -0.52 0.00 -1.26 -2.56 117.38 109.13 1afr n GLN 35 Ca 0.32 0.09 0.12 0.00 0.00 0.00 0.00 57.00 57.53 1afr n GLN 35 Cb 1.33 -1.54 0.47 0.00 0.00 0.00 0.00 30.24 30.50 1afr n GLN 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1afr n LYS 36 N -1.59 0.11 0.22 2.61 5.02 0.22 -3.07 118.16 121.68 1afr n LYS 36 Ca 0.06 0.19 0.07 0.00 -2.02 0.00 0.00 58.31 56.61 1afr n LYS 36 Cb 0.31 -1.66 0.53 0.00 -0.02 0.00 0.00 35.03 34.19 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 0.95 0.00 -0.18 2.04 -1.68 -1.82 117.51 116.82 1afr h ILE 37 Ca 0.00 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 64.98 1afr h ILE 37 Cb 0.49 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1afr h ILE 37 CO 0.00 0.22 -0.15 -0.33 0.00 0.00 0.00 178.15 177.89 1afr h GLU 38 N 0.00 0.00 0.28 2.37 4.39 -1.76 -2.86 114.58 117.00 1afr h GLU 38 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1afr h GLU 38 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1afr h GLU 38 CO 0.03 0.15 -0.14 0.82 -1.16 0.00 0.00 179.01 178.72 1afr h ILE 39 N 0.00 0.73 -0.92 3.13 2.04 -1.52 -1.80 117.51 119.17 1afr h ILE 39 Ca -0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1afr h ILE 39 Cb 0.76 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 1afr h ILE 39 CO 0.02 0.01 0.54 -0.26 0.00 0.00 0.00 178.15 178.46 1afr h PHE 40 N -0.40 1.22 -0.75 1.37 0.04 -1.65 0.64 116.94 117.41 1afr h PHE 40 Ca -0.04 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.83 1afr h PHE 40 Cb 0.31 -0.40 -0.05 0.00 2.20 0.00 0.00 35.95 38.01 1afr h PHE 40 CO -0.05 0.81 0.49 -0.22 -0.60 0.00 0.00 178.31 178.74 1afr h LYS 41 N 1.27 0.58 0.08 1.51 1.63 -1.24 -0.88 116.57 119.51 1afr h LYS 41 Ca 0.33 -0.03 -0.20 0.00 -0.85 0.00 0.00 60.65 59.89 1afr h LYS 41 Cb -0.04 -0.13 0.02 0.00 -0.60 0.00 0.00 32.23 31.48 1afr h LYS 41 CO -0.06 0.38 -0.84 0.77 -3.45 0.00 0.00 179.45 176.25 1afr h SER 42 N 0.59 0.60 0.19 4.20 0.02 -0.41 -3.24 113.55 115.52 1afr h SER 42 Ca 0.35 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1afr h SER 42 Cb 0.57 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1afr h SER 42 CO -0.13 1.38 0.00 0.18 -1.14 0.00 0.00 176.83 177.13 1afr n LEU 43 N -4.08 0.46 -0.47 5.07 4.77 0.11 -3.64 117.00 119.23 1afr n LEU 43 Ca -0.12 0.68 0.42 0.00 -0.03 0.00 0.00 56.01 56.96 1afr n LEU 43 Cb 0.81 -0.70 0.77 0.00 -2.33 0.00 0.00 43.42 41.96 1afr n LEU 43 CO 0.50 -0.75 1.39 -0.78 -1.33 0.00 0.00 177.39 176.42 1afr h ASP 44 N 0.00 0.00 0.38 -1.43 1.82 -1.32 0.21 116.42 116.08 1afr h ASP 44 Ca 0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.36 1afr h ASP 44 Cb 0.10 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.06 1afr h ASP 44 CO 0.00 0.00 -1.85 -3.20 -1.61 0.00 0.00 179.24 172.58 1afr n ASN 45 N -4.00 0.60 -0.19 2.28 2.85 -1.24 -3.58 115.26 111.98 1afr n ASN 45 Ca 0.33 0.28 -0.07 0.00 -0.11 0.00 0.00 54.58 55.01 1afr n ASN 45 Cb 1.57 0.34 0.07 0.00 1.24 0.00 0.00 39.78 43.01 1afr n ASN 45 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 1afr h TRP 46 N 0.00 1.08 -0.58 1.20 7.01 -0.87 -2.50 115.95 121.28 1afr h TRP 46 Ca -0.32 -0.16 -0.07 0.00 2.11 0.00 0.00 58.89 60.44 1afr h TRP 46 Cb 1.96 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 28.71 1afr h TRP 46 CO 0.00 0.94 0.08 0.00 -2.79 0.00 0.00 178.44 176.67 1afr h ALA 47 N 1.10 0.77 0.00 2.65 0.00 -1.46 0.05 119.26 122.37 1afr h ALA 47 Ca 0.18 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1afr h ALA 47 Cb 0.49 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1afr h ALA 47 CO 0.02 0.53 -0.02 1.49 0.00 0.00 0.00 179.25 181.28 1afr h GLU 48 N 0.87 0.00 0.01 0.00 4.81 -1.52 0.88 114.58 119.62 1afr h GLU 48 Ca 0.17 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.06 1afr h GLU 48 Cb 0.44 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.76 1afr h GLU 48 CO 0.01 0.02 -2.14 0.39 -0.73 0.00 0.00 179.01 176.56 1afr n GLU 49 N -3.45 0.67 0.00 1.92 1.02 -0.76 -4.51 120.64 115.53 1afr n GLU 49 Ca -0.03 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1afr n GLU 49 Cb 0.11 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 1afr n GLU 49 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1afr n ASN 50 N -2.94 1.83 -0.10 1.62 3.02 -0.07 -4.74 115.26 113.89 1afr n ASN 50 Ca -0.28 -0.26 -0.16 0.00 -0.03 0.00 0.00 54.58 53.85 1afr n ASN 50 Cb 1.10 0.88 -0.05 0.00 -0.61 0.00 0.00 39.78 41.10 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 -1.06 1.44 0.00 2.41 2.08 0.21 -4.51 119.36 119.92 1afr n ILE 51 Ca 0.00 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.26 1afr n ILE 51 Cb 0.00 -2.10 0.00 0.00 -0.75 0.00 0.00 39.64 36.79 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 -4.27 0.00 0.04 1.39 4.77 -0.62 -0.45 117.00 117.87 1afr n LEU 52 Ca -0.28 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1afr n LEU 52 Cb 0.63 -0.28 0.39 0.00 -2.33 0.00 0.00 43.42 41.83 1afr n LEU 52 CO 0.12 -0.28 0.71 1.33 -1.33 0.00 0.00 177.39 177.94 1afr n VAL 53 N -1.27 0.24 1.61 4.08 0.24 -1.26 -3.46 118.33 118.51 1afr n VAL 53 Ca 0.00 -0.14 0.14 0.00 -2.04 0.00 0.00 64.34 62.30 1afr n VAL 53 Cb 0.01 -0.30 0.62 0.00 -1.47 0.00 0.00 33.84 32.70 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 -1.84 0.02 -3.24 6.34 8.25 0.41 -4.81 115.22 120.34 1afr n HIS 54 Ca 0.06 -0.01 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 1afr n HIS 54 Cb 0.39 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.95 4.27 -0.02 2.41 1.43 -1.22 -4.81 118.68 118.78 1afr s LEU 55 Ca 0.40 0.90 -0.28 0.00 -1.03 0.00 0.00 54.13 54.12 1afr s LEU 55 Cb 0.21 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 1afr s LEU 55 CO 0.33 -0.05 0.88 -0.75 0.23 0.00 0.00 176.35 177.00 1afr s LYS 56 N 0.78 4.52 0.36 1.70 2.47 -1.26 -5.01 119.74 123.30 1afr s LYS 56 Ca 0.29 1.23 -0.28 0.00 -1.56 0.00 0.00 55.97 55.65 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 0.01 1.34 -1.25 0.16 0.00 0.00 175.35 175.73 1afr s PRO 57 N 0.88 4.19 0.30 4.03 0.04 -1.26 -4.85 135.00 138.33 1afr s PRO 57 Ca 0.47 2.27 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1afr s PRO 57 Cb -0.20 -2.96 0.70 0.00 0.04 0.00 0.00 34.50 32.08 1afr s PRO 57 CO 0.25 -0.35 1.58 0.28 0.04 0.00 0.00 177.00 178.80 1afr h VAL 58 N 2.86 0.07 0.00 -0.36 2.07 -1.96 0.27 116.25 119.20 1afr h VAL 58 Ca -0.50 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1afr h VAL 58 Cb 1.23 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1afr h VAL 58 CO 0.64 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.86 1afr h GLU 59 N 0.03 0.00 -0.45 1.57 4.39 -2.01 -2.60 114.58 115.50 1afr h GLU 59 Ca 0.57 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.27 1afr h GLU 59 Cb 1.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1afr h GLU 59 CO -0.89 0.05 0.00 1.63 -1.16 0.00 0.00 179.01 178.64 1afr n LYS 60 N -3.23 3.43 -3.90 2.33 5.02 0.93 -4.99 118.16 117.76 1afr n LYS 60 Ca -0.01 -2.73 -0.35 0.00 -2.02 0.00 0.00 58.31 53.21 1afr n LYS 60 Cb 0.25 -1.79 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 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 -1.23 2.82 0.11 0.00 1.48 -1.26 -5.03 118.94 115.82 1afr s TRP 62 Ca 0.23 1.40 0.04 0.00 -1.06 0.00 0.00 56.10 56.71 1afr s TRP 62 Cb -0.12 -3.00 -0.04 0.00 -1.16 0.00 0.00 33.47 29.15 1afr s TRP 62 CO 0.14 -1.62 -0.11 -0.65 -4.06 0.00 0.00 176.95 170.65 1afr s GLN 63 N -5.01 0.90 0.30 3.25 -1.52 -1.26 -5.05 119.66 111.28 1afr s GLN 63 Ca 0.60 -1.20 0.05 0.00 -1.95 0.00 0.00 55.36 52.86 1afr s GLN 63 Cb -0.15 -0.63 0.76 0.00 -0.22 0.00 0.00 33.01 32.76 1afr s GLN 63 CO 0.55 0.10 1.69 -1.35 -0.25 0.00 0.00 175.29 176.04 1afr h PRO 64 N 3.50 0.38 -0.03 2.91 0.11 -1.98 0.40 132.00 137.29 1afr h PRO 64 Ca -0.38 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1afr h PRO 64 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1afr h PRO 64 CO 0.53 0.25 0.14 0.37 -0.21 0.00 0.00 178.00 179.08 1afr h GLN 65 N 0.39 0.00 0.00 1.05 5.75 -1.96 -0.34 115.11 120.00 1afr h GLN 65 Ca 0.58 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.08 1afr h GLN 65 Cb 1.11 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.66 1afr h GLN 65 CO -0.54 0.00 0.00 -0.44 -2.65 0.00 0.00 178.83 175.20 1afr h ASP 66 N 0.00 0.00 0.00 -0.69 3.32 -1.32 -3.17 116.42 114.56 1afr h ASP 66 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1afr h ASP 66 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1afr h ASP 66 CO -0.00 0.00 -0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1afr n PHE 67 N -2.76 0.00 -4.42 4.55 3.72 -0.14 -5.05 117.46 113.35 1afr n PHE 67 Ca 0.01 -0.52 -0.22 0.00 -0.05 0.00 0.00 57.45 56.67 1afr n PHE 67 Cb 0.25 -0.06 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.13 2.56 0.43 4.37 1.43 -1.19 -5.00 118.68 120.16 1afr s LEU 68 Ca 0.03 -1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 51.88 1afr s LEU 68 Cb 0.03 -0.93 -0.10 0.00 0.03 0.00 0.00 46.19 45.22 1afr s LEU 68 CO 0.00 -0.04 1.13 -2.65 0.23 0.00 0.00 176.35 175.02 1afr n PRO 69 N -0.45 1.57 -2.95 1.29 -0.02 -1.26 -4.91 135.00 128.27 1afr n PRO 69 Ca -0.07 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.55 1afr n PRO 69 Cb 0.60 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.82 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 6.38 0.49 2.55 -1.08 -1.26 -4.92 116.67 118.14 1afr s ASP 70 Ca 0.63 -0.22 0.33 0.00 -0.52 0.00 0.00 52.55 52.77 1afr s ASP 70 Cb -0.53 -2.39 1.50 0.00 -1.46 0.00 0.00 42.92 40.05 1afr s ASP 70 CO 0.56 -0.98 1.98 1.55 0.52 0.00 0.00 175.17 178.80 1afr h PRO 71 N 9.06 0.00 -0.74 4.34 0.13 -1.95 -2.48 132.00 140.35 1afr h PRO 71 Ca -0.25 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.60 1afr h PRO 71 Cb 1.08 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.05 1afr h PRO 71 CO 0.99 0.00 0.32 0.00 -0.23 0.00 0.00 178.00 179.08 1afr n ALA 72 N -1.98 4.72 -2.43 -0.56 0.00 -1.26 -4.94 120.51 114.06 1afr n ALA 72 Ca -0.00 -2.56 -0.23 0.00 0.00 0.00 0.00 53.44 50.66 1afr n ALA 72 Cb 0.20 -1.22 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.30 3.14 0.43 0.00 0.15 -0.93 -5.02 113.70 110.17 1afr s SER 73 Ca 0.54 -0.97 0.29 0.00 0.70 0.00 0.00 55.95 56.50 1afr s SER 73 Cb 0.44 -0.23 1.03 0.00 -1.71 0.00 0.00 66.02 65.56 1afr s SER 73 CO 0.11 -0.01 1.83 0.44 1.20 0.00 0.00 173.24 176.81 1afr h ASP 74 N 2.66 0.00 -0.49 5.45 3.32 -1.92 -2.89 116.42 122.55 1afr h ASP 74 Ca -0.41 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1afr h ASP 74 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1afr h ASP 74 CO 0.57 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.70 1afr n GLY 75 N 0.35 1.51 0.36 2.75 0.00 -1.26 -4.49 105.19 104.42 1afr n GLY 75 Ca 0.02 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 2.90 -0.97 -0.11 1.61 3.57 -1.66 -1.18 116.94 121.11 1afr h PHE 76 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1afr h PHE 76 Cb 0.79 0.41 -0.05 0.00 2.79 0.00 0.00 35.95 39.89 1afr h PHE 76 CO 0.39 -0.46 -0.18 -0.44 -2.23 0.00 0.00 178.31 175.39 1afr h ASP 77 N -0.58 -0.56 -0.00 0.41 3.32 -1.86 -0.50 116.42 116.65 1afr h ASP 77 Ca 0.03 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 1afr h ASP 77 Cb 0.61 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1afr h ASP 77 CO -0.21 -0.24 -0.16 1.05 -1.72 0.00 0.00 179.24 177.97 1afr h GLU 78 N -0.24 0.31 -0.20 3.56 4.11 -1.85 -0.64 114.58 119.63 1afr h GLU 78 Ca 0.09 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 1afr h GLU 78 Cb 0.37 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1afr h GLU 78 CO -0.25 0.47 0.06 1.96 0.07 0.00 0.00 179.01 181.32 1afr h GLN 79 N 0.29 0.32 -0.64 1.06 4.20 -0.49 -0.38 115.11 119.48 1afr h GLN 79 Ca 0.06 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1afr h GLN 79 Cb 0.45 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1afr h GLN 79 CO 0.03 0.43 0.18 0.28 -0.67 0.00 0.00 178.83 179.08 1afr h VAL 80 N 0.15 1.25 -0.68 -0.54 2.07 -0.89 -1.05 116.25 116.57 1afr h VAL 80 Ca 0.06 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1afr h VAL 80 Cb 0.25 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1afr h VAL 80 CO -0.00 0.34 0.41 -0.09 0.02 0.00 0.00 177.57 178.25 1afr h ARG 81 N 0.94 0.92 -0.36 1.57 2.43 -0.89 -0.88 114.38 118.10 1afr h ARG 81 Ca 0.20 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1afr h ARG 81 Cb 0.33 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1afr h ARG 81 CO -0.00 0.65 -0.05 0.93 -1.51 0.00 0.00 179.97 179.99 1afr h GLU 82 N 0.93 0.68 -0.90 0.20 5.08 -0.83 -0.67 114.58 119.06 1afr h GLU 82 Ca 0.24 -0.24 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 1afr h GLU 82 Cb -0.04 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.10 1afr h GLU 82 CO -0.05 0.81 0.59 1.25 -1.00 0.00 0.00 179.01 180.61 1afr h LEU 83 N 0.48 0.87 -0.47 1.33 6.46 -0.73 -0.67 115.31 122.59 1afr h LEU 83 Ca 0.10 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.71 1afr h LEU 83 Cb 0.54 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1afr h LEU 83 CO 0.03 0.54 -0.76 0.03 -0.62 0.00 0.00 178.44 177.66 1afr h ARG 84 N 0.98 0.07 -0.07 1.25 3.08 -0.78 -2.20 114.38 116.72 1afr h ARG 84 Ca 0.40 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 1afr h ARG 84 Cb 0.28 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1afr h ARG 84 CO -0.16 0.80 -0.07 0.93 -1.07 0.00 0.00 179.97 180.40 1afr h GLU 85 N 0.04 0.17 -0.79 0.04 5.08 -0.21 -3.10 114.58 115.80 1afr h GLU 85 Ca -0.02 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1afr h GLU 85 Cb 1.34 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.55 1afr h GLU 85 CO 0.11 0.62 0.50 0.00 -1.00 0.00 0.00 179.01 179.23 1afr h ARG 86 N -0.28 0.92 -0.04 2.33 3.08 -1.17 -1.72 114.38 117.50 1afr h ARG 86 Ca 0.01 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.02 1afr h ARG 86 Cb 0.59 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1afr h ARG 86 CO 0.02 0.61 0.08 0.00 -1.07 0.00 0.00 179.97 179.61 1afr h ALA 87 N 1.35 1.42 0.00 0.04 0.00 -1.37 -0.33 119.26 120.37 1afr h ALA 87 Ca 0.33 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 1afr h ALA 87 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1afr h ALA 87 CO -0.13 -0.10 -0.42 0.87 0.00 0.00 0.00 179.25 179.47 1afr h LYS 88 N 0.00 0.00 0.00 0.00 1.57 -1.24 -2.66 116.57 114.24 1afr h LYS 88 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1afr h LYS 88 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1afr h LYS 88 CO -0.00 0.42 0.00 0.39 -0.57 0.00 0.00 179.45 179.69 1afr n GLU 89 N -3.58 0.13 -3.46 3.15 1.02 -0.14 -4.70 120.64 113.05 1afr n GLU 89 Ca -0.00 0.15 -0.38 0.00 -0.02 0.00 0.00 57.16 56.91 1afr n GLU 89 Cb 0.53 -1.67 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 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 -3.07 5.23 0.76 -3.67 1.01 -1.00 -4.99 121.20 115.47 1afr s ILE 90 Ca 0.11 0.48 -0.13 0.00 0.00 0.00 0.00 60.65 61.11 1afr s ILE 90 Cb 0.14 -3.65 0.06 0.00 0.01 0.00 0.00 42.46 39.03 1afr s ILE 90 CO 0.52 0.22 1.14 -2.16 0.00 0.00 0.00 174.94 174.67 1afr s PRO 91 N 1.68 2.07 0.53 2.79 0.04 -1.26 -4.89 135.00 135.96 1afr s PRO 91 Ca 0.13 1.48 0.19 0.00 0.04 0.00 0.00 61.00 62.85 1afr s PRO 91 Cb -0.15 -1.85 1.37 0.00 0.04 0.00 0.00 34.50 33.91 1afr s PRO 91 CO 0.09 -1.83 2.16 -0.44 0.04 0.00 0.00 177.00 177.01 1afr h ASP 92 N -0.78 0.00 0.07 6.66 3.32 -1.97 -2.12 116.42 121.60 1afr h ASP 92 Ca -0.45 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1afr h ASP 92 Cb 1.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.80 1afr h ASP 92 CO 0.49 0.02 -0.12 0.44 -1.72 0.00 0.00 179.24 178.36 1afr h ASP 93 N 0.00 -0.32 -0.42 6.45 3.32 -1.95 -1.49 116.42 122.01 1afr h ASP 93 Ca -0.00 0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1afr h ASP 93 Cb 0.04 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1afr h ASP 93 CO 0.00 -0.17 0.25 0.22 -1.72 0.00 0.00 179.24 177.82 1afr h TYR 94 N -0.23 0.48 -0.45 4.55 5.03 -1.77 -2.62 116.97 121.96 1afr h TYR 94 Ca 0.02 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 1afr h TYR 94 Cb 0.25 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.35 1afr h TYR 94 CO -0.14 0.28 0.19 0.74 -1.32 0.00 0.00 178.16 177.91 1afr h PHE 95 N 0.52 0.64 -0.63 -3.82 0.04 -1.33 -0.22 116.94 112.12 1afr h PHE 95 Ca 0.16 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 1afr h PHE 95 Cb -0.01 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 37.91 1afr h PHE 95 CO -0.07 0.50 0.31 0.28 -0.60 0.00 0.00 178.31 178.73 1afr h VAL 96 N 0.64 1.22 -0.12 -0.55 2.07 -0.89 0.36 116.25 118.98 1afr h VAL 96 Ca 0.16 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1afr h VAL 96 Cb 0.12 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1afr h VAL 96 CO -0.02 0.25 -0.11 0.58 0.02 0.00 0.00 177.57 178.30 1afr h VAL 97 N 0.87 1.35 -0.80 2.57 2.07 -1.32 -1.81 116.25 119.18 1afr h VAL 97 Ca 0.22 -1.24 0.10 0.00 0.82 0.00 0.00 66.70 66.59 1afr h VAL 97 Cb 0.11 1.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.72 1afr h VAL 97 CO -0.03 0.36 0.44 0.25 0.02 0.00 0.00 177.57 178.61 1afr h LEU 98 N -0.11 0.61 -0.57 2.57 5.85 -0.85 0.06 115.31 122.88 1afr h LEU 98 Ca 0.02 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1afr h LEU 98 Cb 0.62 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1afr h LEU 98 CO 0.03 0.34 -0.02 0.58 -0.34 0.00 0.00 178.44 179.03 1afr h VAL 99 N 0.73 1.27 -0.51 1.05 2.07 -0.85 -1.18 116.25 118.83 1afr h VAL 99 Ca 0.39 -1.17 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1afr h VAL 99 Cb 0.39 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1afr h VAL 99 CO -0.26 0.42 0.02 1.23 0.02 0.00 0.00 177.57 179.00 1afr h GLY 100 N 0.91 0.90 0.98 2.17 0.00 -0.34 -0.35 103.07 107.34 1afr h GLY 100 Ca 0.16 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1afr h GLY 100 CO 0.03 0.56 -0.00 -0.55 0.00 0.00 0.00 176.54 176.58 1afr h ASP 101 N 0.78 0.78 -0.23 0.19 3.32 -0.78 -2.44 116.42 118.05 1afr h ASP 101 Ca 0.15 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1afr h ASP 101 Cb 0.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1afr h ASP 101 CO 0.02 0.90 0.07 -0.03 -1.72 0.00 0.00 179.24 178.48 1afr h MET 102 N 0.64 0.35 -0.96 3.56 4.05 -0.92 -2.09 114.93 119.56 1afr h MET 102 Ca 0.13 -0.08 0.05 0.00 -0.28 0.00 0.00 59.70 59.52 1afr h MET 102 Cb 0.50 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.19 1afr h MET 102 CO 0.02 0.45 0.62 0.82 0.23 0.00 0.00 176.91 179.05 1afr h ILE 103 N 0.19 1.11 -0.67 1.77 2.04 -1.03 0.10 117.51 121.02 1afr h ILE 103 Ca 0.07 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1afr h ILE 103 Cb 0.24 -0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1afr h ILE 103 CO -0.00 0.21 0.26 0.74 0.00 0.00 0.00 178.15 179.36 1afr h THR 104 N 1.15 1.24 -0.51 -0.27 2.02 -1.24 -2.81 112.91 112.50 1afr h THR 104 Ca 0.41 -0.77 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1afr h THR 104 Cb 0.11 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1afr h THR 104 CO -0.16 0.30 0.14 -0.33 0.37 0.00 0.00 175.52 175.85 1afr h GLU 105 N 0.95 0.81 0.00 6.66 4.39 -0.50 -2.81 114.58 124.08 1afr h GLU 105 Ca 0.22 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1afr h GLU 105 Cb 0.22 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1afr h GLU 105 CO -0.02 0.77 0.00 0.93 -1.16 0.00 0.00 179.01 179.53 1afr h GLU 106 N 0.71 0.00 -0.69 2.33 4.39 -0.79 -2.87 114.58 117.66 1afr h GLU 106 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1afr h GLU 106 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1afr h GLU 106 CO -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1afr n ALA 107 N -1.96 2.56 -0.33 3.43 0.00 -1.06 -4.57 120.51 118.58 1afr n ALA 107 Ca -0.01 -0.11 0.20 0.00 0.00 0.00 0.00 53.44 53.53 1afr n ALA 107 Cb 0.15 -1.00 0.39 0.00 0.00 0.00 0.00 19.45 18.99 1afr n ALA 107 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1afr n LEU 108 N -0.08 0.04 -0.33 0.00 7.94 -1.08 -1.50 117.00 121.98 1afr n LEU 108 Ca 0.02 1.67 0.13 0.00 -1.11 0.00 0.00 56.01 56.72 1afr n LEU 108 Cb 0.23 -0.68 0.32 0.00 0.53 0.00 0.00 43.42 43.82 1afr n LEU 108 CO 0.02 -1.75 1.14 -0.65 -1.11 0.00 0.00 177.39 175.03 1afr h PRO 109 N 0.00 0.60 -0.78 1.96 0.11 -1.91 0.70 132.00 132.68 1afr h PRO 109 Ca 0.68 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.76 1afr h PRO 109 Cb 1.57 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.51 1afr h PRO 109 CO -0.88 0.40 0.50 1.15 -0.21 0.00 0.00 178.00 178.96 1afr h THR 110 N 0.62 1.21 -0.16 -1.15 2.02 -1.64 -1.65 112.91 112.15 1afr h THR 110 Ca 0.57 -0.42 -0.17 0.00 0.77 0.00 0.00 66.41 67.16 1afr h THR 110 Cb 0.98 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1afr h THR 110 CO -0.43 0.21 -0.61 1.88 0.37 0.00 0.00 175.52 176.93 1afr h TYR 111 N 1.07 0.72 -0.25 3.16 0.05 -0.98 -1.00 116.97 119.74 1afr h TYR 111 Ca 0.28 -0.28 -0.14 0.00 0.05 0.00 0.00 58.73 58.65 1afr h TYR 111 Cb -0.09 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1afr h TYR 111 CO 0.00 1.03 -0.43 0.37 -1.05 0.00 0.00 178.16 178.08 1afr h GLN 112 N 0.42 0.63 -0.75 4.88 4.15 -1.03 -2.97 115.11 120.43 1afr h GLN 112 Ca -0.01 -0.34 -0.04 0.00 0.77 0.00 0.00 58.65 59.04 1afr h GLN 112 Cb 1.18 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 1afr h GLN 112 CO 0.12 0.94 0.31 1.15 -1.93 0.00 0.00 178.83 179.42 1afr h THR 113 N 0.51 1.25 0.00 2.39 2.02 -1.07 -1.40 112.91 116.61 1afr h THR 113 Ca 0.04 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 1afr h THR 113 Cb 0.96 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1afr h THR 113 CO 0.09 0.32 -0.20 0.24 0.37 0.00 0.00 175.52 176.34 1afr h MET 114 N 1.08 0.00 0.01 6.66 2.86 -1.04 -1.39 114.93 123.12 1afr h MET 114 Ca 0.25 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.64 1afr h MET 114 Cb 0.19 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.87 1afr h MET 114 CO -0.02 0.20 -1.03 -0.07 1.06 0.00 0.00 176.91 177.04 1afr h LEU 115 N 0.00 0.78 0.00 1.22 3.38 -1.29 -2.97 115.31 116.43 1afr h LEU 115 Ca -0.00 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1afr h LEU 115 Cb 0.39 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1afr h LEU 115 CO 0.03 1.44 0.00 0.59 0.09 0.00 0.00 178.44 180.59 1afr n ASN 116 N -3.81 0.00 0.06 -0.43 3.02 -0.57 -2.27 115.26 111.25 1afr n ASN 116 Ca -0.10 -0.75 0.11 0.00 -0.03 0.00 0.00 54.58 53.81 1afr n ASN 116 Cb 0.88 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 40.01 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 -1.00 0.38 -1.89 3.41 -2.24 -0.67 -4.59 114.28 107.69 1afr n THR 117 Ca 0.18 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 61.05 1afr n THR 117 Cb 0.08 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 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 -4.89 4.36 0.18 3.22 1.43 -0.96 -4.52 118.68 117.51 1afr s LEU 118 Ca -0.02 2.41 -0.21 0.00 -1.03 0.00 0.00 54.13 55.29 1afr s LEU 118 Cb 0.12 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.91 1afr s LEU 118 CO 0.82 -0.95 1.59 0.44 0.23 0.00 0.00 176.35 178.48 1afr h ASP 119 N 9.57 -1.10 1.16 2.29 3.32 -1.21 -0.46 116.42 130.01 1afr h ASP 119 Ca -0.43 0.22 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 1afr h ASP 119 Cb 1.20 0.55 -0.02 0.00 0.22 0.00 0.00 39.33 41.27 1afr h ASP 119 CO 0.95 -0.30 -0.86 1.23 -1.72 0.00 0.00 179.24 178.53 1afr h GLY 120 N -0.17 0.00 -1.48 2.75 0.00 -1.87 -3.38 103.07 98.92 1afr h GLY 120 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1afr h GLY 120 CO -0.65 0.00 0.00 3.33 0.00 0.00 0.00 176.54 179.22 1afr n VAL 121 N -3.23 0.36 -1.74 4.60 0.24 -1.16 -4.71 118.33 112.69 1afr n VAL 121 Ca -0.01 -0.68 -0.36 0.00 -2.04 0.00 0.00 64.34 61.25 1afr n VAL 121 Cb 0.85 1.04 0.06 0.00 -1.47 0.00 0.00 33.84 34.32 1afr n VAL 121 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1afr s ARG 122 N -1.21 2.57 -0.48 7.34 3.52 -0.19 -4.26 118.95 126.24 1afr s ARG 122 Ca 0.24 1.91 -0.19 0.00 -0.13 0.00 0.00 55.73 57.56 1afr s ARG 122 Cb 0.15 -1.87 0.05 0.00 -1.56 0.00 0.00 34.95 31.72 1afr s ARG 122 CO 0.21 -1.54 0.59 0.34 -0.81 0.00 0.00 175.30 174.08 1afr s ASP 123 N -1.63 6.23 0.29 -2.12 -1.08 -1.26 -4.79 116.67 112.31 1afr s ASP 123 Ca 0.79 -0.80 0.26 0.00 -0.52 0.00 0.00 52.55 52.27 1afr s ASP 123 Cb -0.33 -2.28 0.92 0.00 -1.46 0.00 0.00 42.92 39.77 1afr s ASP 123 CO 0.39 -0.81 1.76 -0.33 0.52 0.00 0.00 175.17 176.70 1afr h GLU 124 N 8.92 0.00 0.00 4.34 4.39 -1.95 -3.37 114.58 126.91 1afr h GLU 124 Ca -0.27 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 1afr h GLU 124 Cb 1.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 1afr h GLU 124 CO 0.92 0.00 -1.15 0.25 -1.16 0.00 0.00 179.01 177.87 1afr n THR 125 N -2.42 0.15 0.00 1.13 -2.24 -1.26 -5.01 114.28 104.63 1afr n THR 125 Ca 0.03 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1afr n THR 125 Cb 0.33 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 3.24 0.97 1.52 3.38 0.00 -1.26 -4.88 105.19 108.16 1afr n GLY 126 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.58 2.14 -1.97 4.61 0.00 -1.26 -5.11 120.51 118.34 1afr n ALA 127 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 1afr n ALA 127 Cb 0.00 -0.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.80 6.76 0.00 0.00 0.15 -1.26 -4.89 113.70 113.66 1afr s SER 128 Ca 0.03 2.52 0.06 0.00 0.70 0.00 0.00 55.95 59.26 1afr s SER 128 Cb 0.15 -2.61 0.37 0.00 -1.71 0.00 0.00 66.02 62.21 1afr s SER 128 CO -0.04 -0.64 0.83 -2.65 1.20 0.00 0.00 173.24 171.94 1afr n PRO 129 N 2.80 0.49 -2.39 5.44 -0.02 -1.26 -4.27 135.00 135.79 1afr n PRO 129 Ca 0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 1afr n PRO 129 Cb 0.41 -1.20 -0.02 0.00 -0.02 0.00 0.00 33.50 32.68 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 3.41 0.37 3.45 -4.23 -1.26 -4.87 115.64 110.51 1afr s THR 130 Ca 0.09 0.99 0.07 0.00 -1.18 0.00 0.00 61.69 61.67 1afr s THR 130 Cb 0.04 -3.47 0.30 0.00 1.34 0.00 0.00 72.50 70.71 1afr s THR 130 CO 0.07 -0.08 1.95 0.28 -0.54 0.00 0.00 174.62 176.30 1afr h SER 131 N 1.90 0.64 -0.33 3.99 0.02 -1.90 -0.01 113.55 117.86 1afr h SER 131 Ca -0.49 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.40 1afr h SER 131 Cb 1.24 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.64 1afr h SER 131 CO 0.60 0.40 -0.05 -0.50 -1.14 0.00 0.00 176.83 176.13 1afr h TRP 132 N 0.72 0.69 -0.54 3.45 4.06 -1.89 -1.51 115.95 120.92 1afr h TRP 132 Ca 0.33 -0.14 -0.11 0.00 2.06 0.00 0.00 58.89 61.03 1afr h TRP 132 Cb 0.35 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 1afr h TRP 132 CO -0.00 0.77 -0.10 0.00 -3.56 0.00 0.00 178.44 175.56 1afr h ALA 133 N 0.82 0.74 -0.89 1.49 0.00 -1.55 -1.11 119.26 118.75 1afr h ALA 133 Ca 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1afr h ALA 133 Cb 0.54 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1afr h ALA 133 CO 0.03 0.64 0.55 0.82 0.00 0.00 0.00 179.25 181.30 1afr h ILE 134 N 0.89 1.24 0.00 0.00 2.04 -0.93 -0.19 117.51 120.57 1afr h ILE 134 Ca 0.14 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1afr h ILE 134 Cb 0.66 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1afr h ILE 134 CO 0.05 0.25 -0.00 -0.25 0.00 0.00 0.00 178.15 178.19 1afr h TRP 135 N 1.22 -0.00 -0.27 1.37 2.91 -0.96 -0.47 115.95 119.75 1afr h TRP 135 Ca 0.32 -0.00 0.07 0.00 1.13 0.00 0.00 58.89 60.41 1afr h TRP 135 Cb -0.08 0.00 -0.08 0.00 -0.51 0.00 0.00 29.16 28.50 1afr h TRP 135 CO -0.00 0.20 -0.27 1.15 -1.03 0.00 0.00 178.44 178.49 1afr h THR 136 N -0.21 0.34 0.02 2.65 2.02 -0.52 0.29 112.91 117.49 1afr h THR 136 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1afr h THR 136 Cb 0.21 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1afr h THR 136 CO 0.00 0.00 -0.01 0.03 0.37 0.00 0.00 175.52 175.91 1afr h ARG 137 N -0.26 -0.02 -0.72 6.66 3.08 -0.99 -1.88 114.38 120.25 1afr h ARG 137 Ca 0.14 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1afr h ARG 137 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1afr h ARG 137 CO -0.42 0.12 0.27 0.00 -1.07 0.00 0.00 179.97 178.86 1afr h ALA 138 N 0.82 1.11 -0.35 0.04 0.00 -0.71 -0.46 119.26 119.71 1afr h ALA 138 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1afr h ALA 138 Cb 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1afr h ALA 138 CO 0.00 0.63 0.12 2.35 0.00 0.00 0.00 179.25 182.35 1afr h TRP 139 N 1.05 0.56 -0.93 0.00 7.01 -0.40 -1.49 115.95 121.75 1afr h TRP 139 Ca 0.24 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1afr h TRP 139 Cb 0.23 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 1afr h TRP 139 CO 0.02 0.54 0.56 1.15 -2.79 0.00 0.00 178.44 177.92 1afr h THR 140 N 0.42 1.26 -0.78 2.65 2.02 -1.00 -0.76 112.91 116.72 1afr h THR 140 Ca 0.12 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 66.74 1afr h THR 140 Cb 0.23 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.55 1afr h THR 140 CO -0.01 0.27 0.52 0.00 0.37 0.00 0.00 175.52 176.67 1afr h ALA 141 N 1.31 0.99 -0.46 6.16 0.00 -0.66 -1.64 119.26 124.96 1afr h ALA 141 Ca 0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1afr h ALA 141 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1afr h ALA 141 CO -0.06 0.40 0.02 0.93 0.00 0.00 0.00 179.25 180.54 1afr h GLU 142 N 1.06 0.79 0.00 0.00 5.08 -0.78 -3.05 114.58 117.68 1afr h GLU 142 Ca 0.29 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1afr h GLU 142 Cb -0.12 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1afr h GLU 142 CO -0.06 0.84 -0.19 0.93 -1.00 0.00 0.00 179.01 179.52 1afr h GLU 143 N 0.65 0.00 -0.74 2.33 4.39 -0.60 -3.06 114.58 117.55 1afr h GLU 143 Ca 0.13 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.84 1afr h GLU 143 Cb 0.47 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 1afr h GLU 143 CO 0.02 0.19 0.49 -0.97 -1.16 0.00 0.00 179.01 177.58 1afr h ASN 144 N 0.00 0.86 0.45 1.42 -1.24 -1.20 -2.09 115.58 113.78 1afr h ASN 144 Ca -0.00 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 56.94 1afr h ASN 144 Cb 0.45 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1afr h ASN 144 CO 0.03 0.63 -0.18 0.03 -1.29 0.00 0.00 177.43 176.64 1afr h ARG 145 N 1.01 0.00 -0.32 6.67 3.08 -1.65 -2.74 114.38 120.42 1afr h ARG 145 Ca 0.27 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 1afr h ARG 145 Cb -0.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1afr h ARG 145 CO -0.06 0.18 0.02 0.45 -1.07 0.00 0.00 179.97 179.50 1afr h HIS 146 N 0.00 0.60 -0.15 3.04 3.86 -1.52 -1.77 115.15 119.22 1afr h HIS 146 Ca -0.00 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 1afr h HIS 146 Cb 0.46 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.77 1afr h HIS 146 CO 0.00 0.66 -0.37 0.78 0.86 0.00 0.00 177.93 179.85 1afr h GLY 147 N 0.37 0.56 0.45 2.45 0.00 -1.59 -2.81 103.07 102.50 1afr h GLY 147 Ca 0.09 -0.70 0.04 0.00 0.00 0.00 0.00 47.33 46.76 1afr h GLY 147 CO 0.01 0.63 -0.18 -0.55 0.00 0.00 0.00 176.54 176.44 1afr h ASP 148 N 0.13 -0.56 -0.02 0.19 5.19 -1.46 0.18 116.42 120.07 1afr h ASP 148 Ca -0.01 0.09 0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1afr h ASP 148 Cb 0.99 0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1afr h ASP 148 CO 0.08 -0.24 -0.04 0.25 -3.12 0.00 0.00 179.24 176.17 1afr h LEU 149 N -0.25 -0.11 -1.33 1.55 5.85 -1.40 -0.93 115.31 118.69 1afr h LEU 149 Ca 0.08 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 1afr h LEU 149 Cb 0.37 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1afr h LEU 149 CO -0.24 -0.06 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.46 1afr h LEU 150 N -0.06 0.09 0.34 2.25 3.38 -1.31 -2.09 115.31 117.91 1afr h LEU 150 Ca 0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1afr h LEU 150 Cb 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1afr h LEU 150 CO -0.05 0.37 -0.17 -1.13 0.09 0.00 0.00 178.44 177.55 1afr h ASN 151 N 0.09 -0.39 -0.65 -0.43 -0.73 -0.18 -1.66 115.58 111.62 1afr h ASN 151 Ca 0.01 -0.16 0.05 0.00 1.87 0.00 0.00 56.30 58.07 1afr h ASN 151 Cb 0.54 0.10 -0.04 0.00 0.27 0.00 0.00 38.32 39.19 1afr h ASN 151 CO 0.04 0.01 0.43 0.11 -0.37 0.00 0.00 177.43 177.66 1afr h LYS 152 N -0.88 0.69 0.42 6.67 6.56 -1.15 -1.82 116.57 127.06 1afr h LYS 152 Ca -0.05 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.48 1afr h LYS 152 Cb 0.53 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1afr h LYS 152 CO 0.08 0.45 -0.20 -0.92 -2.06 0.00 0.00 179.45 176.80 1afr h TYR 153 N 0.71 -0.52 -0.49 -1.35 3.20 -1.28 -1.86 116.97 115.39 1afr h TYR 153 Ca 0.27 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 1afr h TYR 153 Cb 0.19 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1afr h TYR 153 CO -0.00 -0.24 0.32 -0.07 -1.64 0.00 0.00 178.16 176.54 1afr h LEU 154 N -0.74 0.49 0.42 2.82 3.38 -1.13 -1.66 115.31 118.88 1afr h LEU 154 Ca -0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1afr h LEU 154 Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1afr h LEU 154 CO 0.09 0.34 -0.20 0.22 0.09 0.00 0.00 178.44 178.99 1afr h TYR 155 N 0.57 -0.52 -0.07 1.13 3.20 -1.23 -3.13 116.97 116.92 1afr h TYR 155 Ca 0.19 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1afr h TYR 155 Cb 0.06 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1afr h TYR 155 CO -0.00 -0.26 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.04 1afr h LEU 156 N -0.69 0.10 -1.46 2.82 3.38 -1.08 -3.20 115.31 115.18 1afr h LEU 156 Ca -0.06 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.97 1afr h LEU 156 Cb 0.50 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1afr h LEU 156 CO 0.09 0.27 0.45 0.77 0.09 0.00 0.00 178.44 180.12 1afr h SER 157 N 0.10 0.56 0.00 -0.43 4.64 -1.25 -3.44 113.55 113.74 1afr h SER 157 Ca 0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1afr h SER 157 Cb 0.34 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1afr h SER 157 CO 0.02 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 1afr n GLY 158 N -1.47 0.60 0.03 -0.77 0.00 -1.21 -4.77 105.19 97.60 1afr n GLY 158 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.05 0.16 -4.43 1.61 5.12 -1.26 -4.96 116.66 110.84 1afr n ARG 159 Ca 0.00 0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 55.73 1afr n ARG 159 Cb 0.05 -1.58 -0.10 0.00 -1.16 0.00 0.00 32.46 29.67 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 -3.10 1.45 -0.63 1.55 -7.23 -1.26 -4.83 120.40 106.36 1afr s VAL 160 Ca 0.08 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.00 1afr s VAL 160 Cb 0.15 -2.57 0.13 0.00 0.56 0.00 0.00 36.38 34.65 1afr s VAL 160 CO 0.73 -0.20 0.69 -0.62 -0.31 0.00 0.00 175.10 175.39 1afr s ASP 161 N -3.45 6.28 0.43 4.85 -1.08 0.82 -4.92 116.67 119.60 1afr s ASP 161 Ca 0.32 -1.73 0.15 0.00 -0.52 0.00 0.00 52.55 50.77 1afr s ASP 161 Cb 0.06 -2.27 0.96 0.00 -1.46 0.00 0.00 42.92 40.21 1afr s ASP 161 CO 0.13 -0.98 1.95 0.24 0.52 0.00 0.00 175.17 177.03 1afr h MET 162 N 8.91 0.00 -0.35 4.34 2.86 -1.94 -2.34 114.93 126.40 1afr h MET 162 Ca -0.22 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 1afr h MET 162 Cb 1.08 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 1afr h MET 162 CO 1.04 0.23 0.05 -0.09 1.06 0.00 0.00 176.91 179.21 1afr h ARG 163 N 0.00 0.59 -0.48 1.72 2.43 -1.97 0.11 114.38 116.78 1afr h ARG 163 Ca -0.00 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 58.88 1afr h ARG 163 Cb 0.42 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1afr h ARG 163 CO 0.03 0.67 -0.19 1.96 -1.51 0.00 0.00 179.97 180.92 1afr h GLN 164 N 0.42 0.96 -0.66 0.20 1.08 -1.83 -0.85 115.11 114.43 1afr h GLN 164 Ca 0.11 -0.40 -0.05 0.00 -1.45 0.00 0.00 58.65 56.86 1afr h GLN 164 Cb 0.37 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1afr h GLN 164 CO 0.01 1.06 0.23 0.82 -0.95 0.00 0.00 178.83 180.00 1afr h ILE 165 N 0.84 1.25 -0.06 2.54 2.04 -1.24 -0.67 117.51 122.20 1afr h ILE 165 Ca 0.11 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1afr h ILE 165 Cb 0.76 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1afr h ILE 165 CO 0.06 0.32 -0.38 -0.33 0.00 0.00 0.00 178.15 177.82 1afr h GLU 166 N 0.96 0.13 -0.26 2.37 5.08 -0.54 -1.35 114.58 120.97 1afr h GLU 166 Ca 0.22 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 1afr h GLU 166 Cb 0.27 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1afr h GLU 166 CO -0.01 0.50 -0.50 -0.22 -1.00 0.00 0.00 179.01 177.78 1afr h LYS 167 N 0.11 0.73 -0.59 2.33 3.64 -0.59 -2.28 116.57 119.92 1afr h LYS 167 Ca 0.01 -0.44 -0.08 0.00 -1.27 0.00 0.00 60.65 58.87 1afr h LYS 167 Cb 0.73 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.57 1afr h LYS 167 CO 0.05 1.06 0.04 1.15 -2.27 0.00 0.00 179.45 179.48 1afr h THR 168 N 0.57 1.26 -0.51 1.00 2.02 -0.67 -2.35 112.91 114.23 1afr h THR 168 Ca 0.02 -1.06 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 1afr h THR 168 Cb 1.07 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 1afr h THR 168 CO 0.11 0.39 -0.10 0.40 0.37 0.00 0.00 175.52 176.68 1afr h ILE 169 N 0.92 1.26 -0.68 3.11 2.04 -1.15 -0.93 117.51 122.09 1afr h ILE 169 Ca 0.17 -1.23 -0.08 0.00 1.00 0.00 0.00 64.86 64.73 1afr h ILE 169 Cb 0.48 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 1afr h ILE 169 CO 0.02 0.43 0.12 -0.61 0.00 0.00 0.00 178.15 178.12 1afr h GLN 170 N 0.85 1.11 0.29 2.37 4.15 -1.22 -1.29 115.11 121.36 1afr h GLN 170 Ca 0.14 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 1afr h GLN 170 Cb 0.64 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1afr h GLN 170 CO 0.04 1.00 -0.14 1.88 -1.93 0.00 0.00 178.83 179.69 1afr h TYR 171 N 1.04 -0.36 -0.44 3.99 0.05 -1.23 -2.13 116.97 117.89 1afr h TYR 171 Ca 0.21 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 59.06 1afr h TYR 171 Cb 0.42 0.12 -0.07 0.00 1.01 0.00 0.00 36.73 38.21 1afr h TYR 171 CO 0.03 -0.13 0.03 1.25 -1.05 0.00 0.00 178.16 178.30 1afr h LEU 172 N -0.53 -0.12 -0.86 3.88 5.85 -1.00 0.26 115.31 122.79 1afr h LEU 172 Ca -0.04 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1afr h LEU 172 Cb 0.39 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1afr h LEU 172 CO 0.07 -0.02 0.27 0.40 -0.34 0.00 0.00 178.44 178.81 1afr h ILE 173 N 0.15 1.25 -0.33 4.05 2.04 -1.25 -0.69 117.51 122.73 1afr h ILE 173 Ca 0.22 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 65.18 1afr h ILE 173 Cb 0.30 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1afr h ILE 173 CO -0.33 0.33 -0.11 1.23 0.00 0.00 0.00 178.15 179.27 1afr h GLY 174 N 1.11 0.60 1.98 5.37 0.00 -0.42 -2.71 103.07 108.99 1afr h GLY 174 Ca 0.24 -0.42 -0.17 0.00 0.00 0.00 0.00 47.33 46.98 1afr h GLY 174 CO -0.02 0.38 -0.83 1.76 0.00 0.00 0.00 176.54 177.84 1afr h SER 175 N 0.51 0.02 0.00 0.19 0.02 -0.08 -3.49 113.55 110.72 1afr h SER 175 Ca 0.09 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1afr h SER 175 Cb 0.50 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1afr h SER 175 CO 0.03 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.17 1afr n GLY 176 N 0.84 0.55 3.57 -3.77 0.00 -0.31 -4.93 105.19 101.13 1afr n GLY 176 Ca -0.01 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 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 0.63 -0.29 1.61 0.00 -1.26 -4.87 119.30 115.12 1afr s MET 177 Ca 0.00 0.09 0.02 0.00 0.00 0.00 0.00 55.69 55.80 1afr s MET 177 Cb 0.00 0.30 0.09 0.00 0.00 0.00 0.00 34.83 35.21 1afr s MET 177 CO 0.00 -0.21 0.02 0.34 0.00 0.00 0.00 175.02 175.17 1afr s ASP 178 N -1.30 4.27 0.00 1.11 -1.08 -1.26 -4.97 116.67 113.43 1afr s ASP 178 Ca -0.01 -1.67 0.22 0.00 -0.52 0.00 0.00 52.55 50.56 1afr s ASP 178 Cb -0.01 -1.28 1.19 0.00 -1.46 0.00 0.00 42.92 41.37 1afr s ASP 178 CO 0.01 -0.33 1.69 -0.81 0.52 0.00 0.00 175.17 176.24 1afr n PRO 179 N 4.55 0.49 -3.41 4.34 -0.04 -1.26 -4.89 135.00 134.78 1afr n PRO 179 Ca -0.04 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.27 1afr n PRO 179 Cb 0.43 -1.50 0.07 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 -1.15 -6.69 0.00 0.54 1.74 -1.26 -4.81 116.66 105.04 1afr n ARG 180 Ca 0.13 0.72 0.11 0.00 -0.77 0.00 0.00 57.85 58.05 1afr n ARG 180 Cb 0.12 -5.43 0.09 0.00 -1.02 0.00 0.00 32.46 26.22 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 -4.48 0.00 -4.18 0.55 -2.24 -1.26 -4.99 114.28 97.68 1afr n THR 181 Ca -0.04 -0.02 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 1afr n THR 181 Cb 0.57 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 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 -1.38 -3.11 -1.17 -0.78 1.02 -1.26 -0.84 120.64 113.12 1afr n GLU 182 Ca 0.05 0.37 -0.06 0.00 -0.02 0.00 0.00 57.16 57.50 1afr n GLU 182 Cb 0.34 -4.95 -0.02 0.00 -0.02 0.00 0.00 31.44 26.78 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 -2.72 -5.42 -4.54 1.62 4.13 -1.26 -1.54 115.26 105.52 1afr n ASN 183 Ca -0.00 0.14 -0.40 0.00 1.68 0.00 0.00 54.58 56.00 1afr n ASN 183 Cb 0.53 -3.42 -0.10 0.00 -1.54 0.00 0.00 39.78 35.25 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 -2.26 6.13 0.58 6.41 0.15 -0.02 -0.63 113.70 124.05 1afr s SER 184 Ca 0.00 -0.27 0.27 0.00 0.70 0.00 0.00 55.95 56.66 1afr s SER 184 Cb 0.00 -2.17 1.65 0.00 -1.71 0.00 0.00 66.02 63.79 1afr s SER 184 CO 0.00 -0.28 2.15 -0.65 1.20 0.00 0.00 173.24 175.66 1afr h PRO 185 N 8.46 0.00 0.02 5.44 0.11 -1.92 0.43 132.00 144.54 1afr h PRO 185 Ca -0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1afr h PRO 185 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1afr h PRO 185 CO 0.66 0.00 -0.01 1.88 -0.21 0.00 0.00 178.00 180.32 1afr h TYR 186 N 0.00 -0.03 -0.13 0.65 0.05 -1.92 -1.88 116.97 113.71 1afr h TYR 186 Ca 0.06 -0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 1afr h TYR 186 Cb 0.31 0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.06 1afr h TYR 186 CO 0.00 0.32 -0.18 -0.07 -1.05 0.00 0.00 178.16 177.18 1afr h LEU 187 N -0.38 0.38 -0.19 3.88 3.38 -1.46 -3.24 115.31 117.70 1afr h LEU 187 Ca -0.00 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.50 1afr h LEU 187 Cb 0.36 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1afr h LEU 187 CO 0.00 0.82 -0.20 1.23 0.09 0.00 0.00 178.44 180.39 1afr h GLY 188 N -0.05 -0.12 2.00 0.83 0.00 -0.23 -0.90 103.07 104.60 1afr h GLY 188 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1afr h GLY 188 CO 0.04 -0.18 0.00 0.74 0.00 0.00 0.00 176.54 177.14 1afr h PHE 189 N -0.22 0.00 0.01 5.60 0.04 -1.45 -0.60 116.94 120.32 1afr h PHE 189 Ca 0.12 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 1afr h PHE 189 Cb 0.40 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.56 1afr h PHE 189 CO -0.34 0.00 -0.14 0.82 -0.60 0.00 0.00 178.31 178.05 1afr h ILE 190 N 0.00 1.64 0.24 -0.55 1.08 -1.37 -2.74 117.51 115.81 1afr h ILE 190 Ca 0.00 -2.08 0.01 0.00 -0.39 0.00 0.00 64.86 62.40 1afr h ILE 190 Cb 0.39 3.03 -0.04 0.00 -3.07 0.00 0.00 36.82 37.12 1afr h ILE 190 CO 0.00 0.55 -0.46 0.22 -0.69 0.00 0.00 178.15 177.78 1afr h TYR 191 N -0.73 -1.28 -0.88 1.37 3.20 -0.52 -1.61 116.97 116.51 1afr h TYR 191 Ca -0.02 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1afr h TYR 191 Cb 0.99 0.53 -0.05 0.00 1.54 0.00 0.00 36.73 39.73 1afr h TYR 191 CO 0.22 -0.57 0.58 1.79 -1.64 0.00 0.00 178.16 178.53 1afr h THR 192 N -0.77 1.12 -0.97 1.81 1.35 -1.26 -0.21 112.91 113.97 1afr h THR 192 Ca -0.01 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1afr h THR 192 Cb 0.75 -0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.08 1afr h THR 192 CO -0.19 0.19 0.62 0.28 -0.25 0.00 0.00 175.52 176.18 1afr h SER 193 N 1.06 1.13 0.26 5.36 0.02 -1.14 0.03 113.55 120.28 1afr h SER 193 Ca 0.36 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 1afr h SER 193 Cb 0.09 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.35 1afr h SER 193 CO -0.12 0.84 -0.13 0.15 -1.14 0.00 0.00 176.83 176.44 1afr h PHE 194 N 1.32 -0.33 -0.88 3.45 3.04 -0.15 -3.01 116.94 120.38 1afr h PHE 194 Ca 0.35 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.36 1afr h PHE 194 Cb -0.12 0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.44 1afr h PHE 194 CO 0.00 0.02 0.55 1.96 -2.02 0.00 0.00 178.31 178.82 1afr h GLN 195 N -0.73 0.96 -0.92 1.11 1.08 -0.91 -0.45 115.11 115.26 1afr h GLN 195 Ca -0.04 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1afr h GLN 195 Cb 0.49 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.66 1afr h GLN 195 CO 0.06 0.64 0.61 0.93 -0.95 0.00 0.00 178.83 180.11 1afr h GLU 196 N 0.99 1.18 -0.04 1.46 4.39 -1.03 0.23 114.58 121.76 1afr h GLU 196 Ca 0.39 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.86 1afr h GLU 196 Cb 0.18 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1afr h GLU 196 CO -0.18 0.78 -0.68 -0.09 -1.16 0.00 0.00 179.01 177.69 1afr h ARG 197 N 1.22 0.20 -0.21 2.33 2.43 -1.28 -1.79 114.38 117.28 1afr h ARG 197 Ca 0.35 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1afr h ARG 197 Cb -0.10 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1afr h ARG 197 CO -0.09 0.80 0.09 0.00 -1.51 0.00 0.00 179.97 179.26 1afr h ALA 198 N 1.16 0.27 -0.46 2.80 0.00 0.15 -1.84 119.26 121.34 1afr h ALA 198 Ca -0.02 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1afr h ALA 198 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1afr h ALA 198 CO 0.10 -0.14 -0.09 1.79 0.00 0.00 0.00 179.25 180.91 1afr h THR 199 N 0.20 1.27 -0.88 0.00 1.35 -1.00 -1.10 112.91 112.75 1afr h THR 199 Ca 0.07 -1.20 0.12 0.00 -0.55 0.00 0.00 66.41 64.84 1afr h THR 199 Cb 0.16 1.10 -0.08 0.00 -1.73 0.00 0.00 68.15 67.60 1afr h THR 199 CO -0.01 0.41 0.51 0.15 -0.25 0.00 0.00 175.52 176.33 1afr h PHE 200 N 0.72 0.91 0.29 4.73 3.57 -1.21 0.22 116.94 126.16 1afr h PHE 200 Ca 0.12 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1afr h PHE 200 Cb 0.63 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1afr h PHE 200 CO 0.05 0.33 -0.14 0.82 -2.23 0.00 0.00 178.31 177.14 1afr h ILE 201 N 0.80 0.70 -0.15 1.41 2.04 -0.90 -0.52 117.51 120.90 1afr h ILE 201 Ca 0.44 -0.65 0.05 0.00 1.00 0.00 0.00 64.86 65.70 1afr h ILE 201 Cb 0.47 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.53 1afr h ILE 201 CO -0.28 0.12 -0.21 0.28 0.00 0.00 0.00 178.15 178.06 1afr h SER 202 N -0.77 -0.65 -0.08 1.72 0.02 -0.79 0.16 113.55 113.16 1afr h SER 202 Ca -0.04 0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1afr h SER 202 Cb 0.50 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1afr h SER 202 CO 0.07 -0.26 -0.07 0.45 -1.14 0.00 0.00 176.83 175.88 1afr h HIS 203 N -0.26 0.36 -0.23 3.45 3.86 -0.64 -1.13 115.15 120.55 1afr h HIS 203 Ca 0.10 -0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 59.09 1afr h HIS 203 Cb 0.41 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1afr h HIS 203 CO -0.32 0.43 -0.62 0.78 0.86 0.00 0.00 177.93 179.06 1afr h GLY 204 N 0.76 0.87 1.00 2.45 0.00 -0.14 -1.92 103.07 106.09 1afr h GLY 204 Ca 0.07 -1.08 -0.12 0.00 0.00 0.00 0.00 47.33 46.20 1afr h GLY 204 CO 0.02 0.96 -0.26 3.43 0.00 0.00 0.00 176.54 180.69 1afr h ASN 205 N 0.59 0.81 -0.03 0.19 2.35 -0.33 -1.27 115.58 117.88 1afr h ASN 205 Ca -0.01 -0.44 -0.08 0.00 -0.55 0.00 0.00 56.30 55.22 1afr h ASN 205 Cb 1.22 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1afr h ASN 205 CO 0.13 1.08 -0.20 0.71 -1.65 0.00 0.00 177.43 177.50 1afr h THR 206 N 0.55 1.24 -0.13 2.81 1.35 -1.25 -0.63 112.91 116.84 1afr h THR 206 Ca 0.06 -1.11 -0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1afr h THR 206 Cb 0.82 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 1afr h THR 206 CO 0.07 0.35 0.08 0.00 -0.25 0.00 0.00 175.52 175.77 1afr h ALA 207 N 1.42 0.17 -0.05 6.62 0.00 -1.08 0.11 119.26 126.46 1afr h ALA 207 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1afr h ALA 207 Cb 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1afr h ALA 207 CO 0.04 -0.32 0.02 -0.09 0.00 0.00 0.00 179.25 178.90 1afr h ARG 208 N 0.15 0.07 -0.61 0.00 1.12 -0.79 -2.57 114.38 111.75 1afr h ARG 208 Ca 0.05 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.85 1afr h ARG 208 Cb 0.02 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 29.94 1afr h ARG 208 CO -0.01 0.17 0.16 1.96 -3.11 0.00 0.00 179.97 179.15 1afr h GLN 209 N -0.04 0.93 -0.45 0.20 4.20 -1.04 -2.20 115.11 116.71 1afr h GLN 209 Ca 0.02 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.54 1afr h GLN 209 Cb 0.12 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1afr h GLN 209 CO -0.00 0.82 0.28 0.00 -0.67 0.00 0.00 178.83 179.26 1afr h ALA 210 N 1.28 1.65 -0.50 3.87 0.00 -0.62 -1.56 119.26 123.38 1afr h ALA 210 Ca 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1afr h ALA 210 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1afr h ALA 210 CO -0.00 0.31 -0.06 -0.22 0.00 0.00 0.00 179.25 179.28 1afr h LYS 211 N 0.62 0.89 -0.21 0.00 3.64 -0.99 -1.67 116.57 118.84 1afr h LYS 211 Ca 0.16 -0.29 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 1afr h LYS 211 Cb -0.05 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1afr h LYS 211 CO -0.03 0.92 -0.36 0.93 -2.27 0.00 0.00 179.45 178.64 1afr h GLU 212 N 0.81 0.45 0.00 1.90 5.08 -1.02 -2.70 114.58 119.10 1afr h GLU 212 Ca 0.14 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1afr h GLU 212 Cb 0.56 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1afr h GLU 212 CO 0.03 0.75 0.00 0.72 -1.00 0.00 0.00 179.01 179.51 1afr n HIS 213 N -4.05 0.00 -0.45 4.33 8.25 -0.85 -4.87 115.22 117.58 1afr n HIS 213 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1afr n HIS 213 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 0.64 0.76 3.17 -1.41 0.00 -1.02 -4.78 105.19 102.55 1afr n GLY 214 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.29 5.69 0.34 1.61 -1.08 -0.64 -4.92 116.67 115.38 1afr s ASP 215 Ca 0.00 -2.75 0.16 0.00 -0.52 0.00 0.00 52.55 49.43 1afr s ASP 215 Cb 0.00 -1.96 0.60 0.00 -1.46 0.00 0.00 42.92 40.10 1afr s ASP 215 CO 0.00 -0.44 1.71 0.16 0.52 0.00 0.00 175.17 177.12 1afr h ILE 216 N 5.19 1.10 -0.15 4.11 3.07 -1.86 -2.23 117.51 126.74 1afr h ILE 216 Ca 0.01 -1.67 -0.14 0.00 1.55 0.00 0.00 64.86 64.61 1afr h ILE 216 Cb 0.98 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 39.48 1afr h ILE 216 CO 0.73 0.44 -0.51 0.11 -1.05 0.00 0.00 178.15 177.87 1afr h LYS 217 N 0.00 0.42 -0.04 0.16 1.57 -1.95 0.13 116.57 116.85 1afr h LYS 217 Ca -0.00 -0.25 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 1afr h LYS 217 Cb 0.92 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1afr h LYS 217 CO 0.06 0.83 -0.63 1.25 -0.57 0.00 0.00 179.45 180.39 1afr h LEU 218 N 0.33 0.19 -0.58 2.94 5.85 -1.90 -1.61 115.31 120.53 1afr h LEU 218 Ca 0.01 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.51 1afr h LEU 218 Cb 1.01 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1afr h LEU 218 CO 0.09 0.77 -0.09 0.00 -0.34 0.00 0.00 178.44 178.87 1afr h ALA 219 N 1.23 0.79 -0.28 1.25 0.00 -0.99 -1.59 119.26 119.67 1afr h ALA 219 Ca -0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1afr h ALA 219 Cb 1.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1afr h ALA 219 CO 0.09 0.67 0.07 1.96 0.00 0.00 0.00 179.25 182.04 1afr h GLN 220 N 0.92 0.45 0.27 0.00 4.20 -0.52 -1.23 115.11 119.20 1afr h GLN 220 Ca 0.15 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1afr h GLN 220 Cb 0.66 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1afr h GLN 220 CO 0.05 0.54 -0.52 0.82 -0.67 0.00 0.00 178.83 179.04 1afr h ILE 221 N 0.28 0.00 -0.36 2.54 2.04 -1.05 0.64 117.51 121.60 1afr h ILE 221 Ca 0.09 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 1afr h ILE 221 Cb 0.29 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1afr h ILE 221 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.27 1afr h GLY 223 N 0.70 0.90 1.64 0.00 0.00 -0.81 -1.78 103.07 103.72 1afr h GLY 223 Ca 0.12 -0.90 -0.06 0.00 0.00 0.00 0.00 47.33 46.49 1afr h GLY 223 CO -0.01 0.82 -0.10 -0.84 0.00 0.00 0.00 176.54 176.41 1afr h THR 224 N 0.61 1.21 -0.14 4.70 2.02 -0.61 -0.09 112.91 120.62 1afr h THR 224 Ca 0.06 -0.92 -0.11 0.00 0.77 0.00 0.00 66.41 66.21 1afr h THR 224 Cb 0.89 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1afr h THR 224 CO 0.08 0.30 -0.36 0.40 0.37 0.00 0.00 175.52 176.31 1afr h ILE 225 N 0.41 1.36 -0.66 3.11 2.04 -1.42 -3.17 117.51 119.18 1afr h ILE 225 Ca 0.08 -1.64 0.04 0.00 1.00 0.00 0.00 64.86 64.34 1afr h ILE 225 Cb 0.43 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1afr h ILE 225 CO 0.02 0.49 0.40 0.00 0.00 0.00 0.00 178.15 179.06 1afr h ALA 226 N 0.53 0.86 -0.99 1.87 0.00 -0.94 -1.57 119.26 119.03 1afr h ALA 226 Ca -0.01 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.04 1afr h ALA 226 Cb 0.97 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1afr h ALA 226 CO 0.08 0.13 0.62 0.00 0.00 0.00 0.00 179.25 180.08 1afr h ALA 227 N 1.30 1.61 -0.48 0.00 0.00 -1.04 -0.44 119.26 120.21 1afr h ALA 227 Ca 0.27 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1afr h ALA 227 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1afr h ALA 227 CO -0.13 0.11 -0.15 -0.44 0.00 0.00 0.00 179.25 178.64 1afr h ASP 228 N 0.89 0.93 -0.92 0.00 5.19 -1.27 -3.02 116.42 118.22 1afr h ASP 228 Ca 0.51 -0.32 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 1afr h ASP 228 Cb 0.64 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.85 1afr h ASP 228 CO -0.29 1.07 0.57 -0.33 -3.12 0.00 0.00 179.24 177.14 1afr h GLU 229 N 0.82 1.25 -0.51 3.56 4.39 -0.66 -2.55 114.58 120.88 1afr h GLU 229 Ca 0.12 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 1afr h GLU 229 Cb 0.70 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1afr h GLU 229 CO 0.05 0.86 0.31 -0.22 -1.16 0.00 0.00 179.01 178.85 1afr h LYS 230 N 1.27 0.69 -0.64 2.33 3.64 -1.26 -0.14 116.57 122.46 1afr h LYS 230 Ca 0.33 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1afr h LYS 230 Cb -0.07 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.57 1afr h LYS 230 CO -0.06 0.50 0.29 0.00 -2.27 0.00 0.00 179.45 177.91 1afr h ARG 231 N 0.69 0.92 -0.48 1.90 3.08 -1.45 0.80 114.38 119.83 1afr h ARG 231 Ca 0.18 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 1afr h ARG 231 Cb -0.01 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1afr h ARG 231 CO -0.03 0.72 -0.16 0.45 -1.07 0.00 0.00 179.97 179.88 1afr h HIS 232 N 0.91 1.03 0.07 3.04 3.86 -1.02 -1.98 115.15 121.06 1afr h HIS 232 Ca 0.22 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1afr h HIS 232 Cb 0.12 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1afr h HIS 232 CO 0.01 1.00 -0.04 1.49 0.86 0.00 0.00 177.93 181.26 1afr h GLU 233 N 0.81 -0.10 -0.48 2.45 4.81 -0.21 -1.71 114.58 120.16 1afr h GLU 233 Ca 0.12 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.45 1afr h GLU 233 Cb 0.70 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 1afr h GLU 233 CO 0.05 0.08 -0.04 1.15 -0.73 0.00 0.00 179.01 179.53 1afr h THR 234 N -0.26 0.59 -0.67 0.32 2.02 -0.72 0.02 112.91 114.21 1afr h THR 234 Ca -0.01 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 1afr h THR 234 Cb 0.22 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1afr h THR 234 CO 0.02 0.01 0.15 0.00 0.37 0.00 0.00 175.52 176.07 1afr h ALA 235 N 1.44 0.88 -0.18 6.16 0.00 -1.27 -2.69 119.26 123.60 1afr h ALA 235 Ca 0.24 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1afr h ALA 235 Cb 0.36 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1afr h ALA 235 CO -0.43 0.61 -0.09 1.88 0.00 0.00 0.00 179.25 181.23 1afr h TYR 236 N 1.00 0.43 -0.42 0.00 0.05 -0.52 -2.85 116.97 114.67 1afr h TYR 236 Ca 0.21 -0.11 0.02 0.00 0.05 0.00 0.00 58.73 58.90 1afr h TYR 236 Cb 0.38 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1afr h TYR 236 CO 0.03 0.68 0.28 1.79 -1.05 0.00 0.00 178.16 179.89 1afr h THR 237 N 0.06 1.06 -0.81 -2.88 1.35 -1.03 -0.98 112.91 109.67 1afr h THR 237 Ca 0.04 -0.17 -0.03 0.00 -0.55 0.00 0.00 66.41 65.70 1afr h THR 237 Cb 0.57 0.53 -0.04 0.00 -1.73 0.00 0.00 68.15 67.48 1afr h THR 237 CO 0.03 0.09 0.38 0.11 -0.25 0.00 0.00 175.52 175.87 1afr h LYS 238 N 0.49 1.17 -0.71 4.72 1.79 -1.34 0.18 116.57 122.87 1afr h LYS 238 Ca 0.16 -0.18 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1afr h LYS 238 Cb 0.06 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 1afr h LYS 238 CO -0.04 0.91 0.23 0.82 -1.08 0.00 0.00 179.45 180.29 1afr h ILE 239 N 1.15 1.26 -0.07 1.86 2.04 -0.95 0.33 117.51 123.12 1afr h ILE 239 Ca 0.28 -0.88 -0.14 0.00 1.00 0.00 0.00 64.86 65.11 1afr h ILE 239 Cb 0.14 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1afr h ILE 239 CO -0.03 0.35 -0.58 0.58 0.00 0.00 0.00 178.15 178.46 1afr h VAL 240 N 1.04 1.38 0.07 1.67 2.07 -1.13 -2.06 116.25 119.29 1afr h VAL 240 Ca 0.23 -1.94 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 1afr h VAL 240 Cb 0.30 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1afr h VAL 240 CO -0.01 0.57 -0.03 -0.08 0.02 0.00 0.00 177.57 178.04 1afr h GLU 241 N 0.16 -0.09 0.00 1.57 4.81 0.03 0.13 114.58 121.19 1afr h GLU 241 Ca -0.00 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1afr h GLU 241 Cb 1.07 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1afr h GLU 241 CO 0.09 -0.00 -0.22 -0.22 -0.73 0.00 0.00 179.01 177.92 1afr h LYS 242 N -0.16 0.00 -0.04 1.92 3.11 -0.87 -2.26 116.57 118.27 1afr h LYS 242 Ca -0.01 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.60 1afr h LYS 242 Cb 0.13 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1afr h LYS 242 CO 0.02 0.22 -0.91 -0.07 -2.81 0.00 0.00 179.45 175.90 1afr h LEU 243 N 0.00 0.74 -2.42 5.20 3.38 -0.83 -2.99 115.31 118.39 1afr h LEU 243 Ca -0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1afr h LEU 243 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1afr h LEU 243 CO 0.03 1.35 0.07 -0.26 0.09 0.00 0.00 178.44 179.71 1afr h PHE 244 N 0.36 0.00 0.00 1.13 0.04 -0.13 0.12 116.94 118.46 1afr h PHE 244 Ca -0.08 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 1afr h PHE 244 Cb 1.54 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.69 1afr h PHE 244 CO 0.08 0.00 -0.35 1.49 -0.60 0.00 0.00 178.31 178.92 1afr h GLU 245 N 0.00 0.00 -0.49 1.51 4.81 -1.49 -3.23 114.58 115.68 1afr h GLU 245 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1afr h GLU 245 Cb 0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1afr h GLU 245 CO 0.00 0.22 0.18 0.82 -0.73 0.00 0.00 179.01 179.50 1afr h ILE 246 N -1.00 1.22 -2.11 2.32 2.04 -1.19 -3.35 117.51 115.44 1afr h ILE 246 Ca -0.04 -0.69 -0.54 0.00 1.00 0.00 0.00 64.86 64.58 1afr h ILE 246 Cb 0.46 0.75 -0.41 0.00 -0.74 0.00 0.00 36.82 36.88 1afr h ILE 246 CO -0.02 0.26 -0.94 -0.67 0.00 0.00 0.00 178.15 176.77 1afr n ASP 247 N -4.54 2.12 -0.21 1.72 -0.08 0.34 -4.98 116.55 110.92 1afr n ASP 247 Ca 0.01 -3.20 -0.07 0.00 -1.51 0.00 0.00 54.79 50.03 1afr n ASP 247 Cb 0.17 -0.61 -0.02 0.00 2.34 0.00 0.00 41.12 43.00 1afr n ASP 247 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1afr h PRO 248 N 3.35 -0.19 -0.27 -0.67 0.11 -1.69 -0.80 132.00 131.85 1afr h PRO 248 Ca 0.12 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.27 1afr h PRO 248 Cb 0.78 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 1afr h PRO 248 CO 0.63 -0.13 0.09 0.22 -0.21 0.00 0.00 178.00 178.61 1afr h ASP 249 N -0.20 0.11 -0.79 -2.05 3.58 -1.91 -2.46 116.42 112.70 1afr h ASP 249 Ca 0.21 0.03 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 1afr h ASP 249 Cb 0.56 0.01 -0.04 0.00 1.72 0.00 0.00 39.33 41.59 1afr h ASP 249 CO -0.69 0.10 0.37 1.23 -2.88 0.00 0.00 179.24 177.36 1afr h GLY 250 N 0.22 1.24 2.00 -0.78 0.00 -1.72 -1.69 103.07 102.33 1afr h GLY 250 Ca 0.12 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1afr h GLY 250 CO -0.12 0.60 0.00 -0.84 0.00 0.00 0.00 176.54 176.18 1afr h THR 251 N 1.13 0.00 0.04 4.70 2.02 -0.98 -1.55 112.91 118.26 1afr h THR 251 Ca 0.27 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1afr h THR 251 Cb 0.14 1.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1afr h THR 251 CO -0.03 0.00 -0.23 0.58 0.37 0.00 0.00 175.52 176.21 1afr h VAL 252 N 0.00 1.71 -0.67 3.16 2.07 -0.85 -2.93 116.25 118.74 1afr h VAL 252 Ca 0.00 -2.37 -0.07 0.00 0.82 0.00 0.00 66.70 65.08 1afr h VAL 252 Cb 0.44 3.30 -0.03 0.00 -1.52 0.00 0.00 31.29 33.49 1afr h VAL 252 CO 0.00 0.63 0.14 -0.07 0.02 0.00 0.00 177.57 178.29 1afr h LEU 253 N -0.80 1.02 0.05 2.57 3.38 -1.26 -1.97 115.31 118.30 1afr h LEU 253 Ca -0.04 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1afr h LEU 253 Cb 1.16 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1afr h LEU 253 CO 0.04 0.99 -0.02 0.00 0.09 0.00 0.00 178.44 179.54 1afr h ALA 254 N 1.13 -0.07 -0.92 1.53 0.00 -1.42 0.40 119.26 119.92 1afr h ALA 254 Ca 0.21 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1afr h ALA 254 Cb 0.39 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.13 1afr h ALA 254 CO 0.01 -0.43 0.57 0.35 0.00 0.00 0.00 179.25 179.75 1afr h PHE 255 N -0.28 1.05 -0.26 0.00 3.57 -1.45 -1.00 116.94 118.57 1afr h PHE 255 Ca -0.01 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.33 1afr h PHE 255 Cb 0.25 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.66 1afr h PHE 255 CO -0.00 0.50 -0.60 0.00 -2.23 0.00 0.00 178.31 175.98 1afr h ALA 256 N 1.45 0.43 -0.38 2.41 0.00 -1.13 -2.78 119.26 119.26 1afr h ALA 256 Ca 0.41 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1afr h ALA 256 Cb 0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1afr h ALA 256 CO -0.20 0.68 0.18 0.22 0.00 0.00 0.00 179.25 180.14 1afr h ASP 257 N 0.65 0.27 -0.40 0.00 3.58 0.65 0.06 116.42 121.21 1afr h ASP 257 Ca -0.00 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.48 1afr h ASP 257 Cb 1.22 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1afr h ASP 257 CO 0.13 0.20 0.25 0.24 -2.88 0.00 0.00 179.24 177.18 1afr h MET 258 N 0.38 0.49 -0.77 0.28 2.86 -1.20 -1.06 114.93 115.90 1afr h MET 258 Ca 0.16 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 1afr h MET 258 Cb 0.08 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1afr h MET 258 CO -0.12 0.32 0.44 0.52 1.06 0.00 0.00 176.91 179.14 1afr h MET 259 N 0.50 1.07 -0.22 1.72 2.86 -1.14 0.58 114.93 120.31 1afr h MET 259 Ca 0.16 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1afr h MET 259 Cb -0.02 -0.21 -0.05 0.00 0.06 0.00 0.00 31.60 31.38 1afr h MET 259 CO -0.06 0.78 -0.13 0.00 1.06 0.00 0.00 176.91 178.56 1afr h ARG 260 N 1.07 -0.11 -0.26 1.72 3.08 -0.26 -1.62 114.38 118.01 1afr h ARG 260 Ca 0.27 0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.23 1afr h ARG 260 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1afr h ARG 260 CO -0.05 -0.07 -0.28 0.87 -1.07 0.00 0.00 179.97 179.38 1afr h LYS 261 N -0.11 0.50 0.00 0.04 1.57 -0.79 -3.50 116.57 114.28 1afr h LYS 261 Ca 0.12 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1afr h LYS 261 Cb 0.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1afr h LYS 261 CO -0.29 0.74 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 1afr n LYS 262 N -4.10 0.00 -2.42 3.15 5.02 0.20 -4.89 118.16 115.12 1afr n LYS 262 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 1afr n LYS 262 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.41 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 -1.68 3.86 -0.06 -0.18 -1.09 -1.26 -4.89 121.20 115.90 1afr s ILE 263 Ca 0.00 0.77 -0.23 0.00 -2.23 0.00 0.00 60.65 58.96 1afr s ILE 263 Cb 0.00 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.40 1afr s ILE 263 CO 0.00 -1.11 0.69 -0.94 -1.23 0.00 0.00 174.94 172.35 1afr s SER 264 N 4.06 6.98 0.43 3.58 1.04 -1.26 -5.04 113.70 123.49 1afr s SER 264 Ca 0.53 1.18 -0.25 0.00 0.48 0.00 0.00 55.95 57.89 1afr s SER 264 Cb -0.11 -2.41 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 1afr s SER 264 CO 0.27 -0.10 1.31 -0.04 0.98 0.00 0.00 173.24 175.66 1afr s MET 265 N 0.73 3.84 0.46 4.02 1.00 -1.26 -4.93 119.30 123.17 1afr s MET 265 Ca 0.37 2.15 0.12 0.00 0.00 0.00 0.00 55.69 58.34 1afr s MET 265 Cb -0.18 -2.67 1.07 0.00 0.00 0.00 0.00 34.83 33.06 1afr s MET 265 CO 0.18 -0.60 2.08 -1.00 0.00 0.00 0.00 175.02 175.68 1afr h PRO 266 N 2.46 0.29 -0.87 2.03 0.13 -1.99 -2.64 132.00 131.41 1afr h PRO 266 Ca -0.50 -0.02 -0.31 0.00 -0.87 0.00 0.00 66.00 64.31 1afr h PRO 266 Cb 1.25 -0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1afr h PRO 266 CO 0.62 0.19 0.39 0.00 -0.23 0.00 0.00 178.00 178.96 1afr n ALA 267 N -2.52 4.78 0.42 -0.56 0.00 -1.26 -4.54 120.51 116.82 1afr n ALA 267 Ca 0.02 -2.32 0.12 0.00 0.00 0.00 0.00 53.44 51.26 1afr n ALA 267 Cb 0.14 -1.31 0.48 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.45 0.80 -0.54 0.00 1.44 -1.00 -2.27 115.22 113.21 1afr n HIS 268 Ca 0.44 0.31 0.06 0.00 -2.01 0.00 0.00 57.72 56.52 1afr n HIS 268 Cb 1.41 -1.00 0.33 0.00 0.12 0.00 0.00 29.99 30.86 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 -2.23 4.85 -4.66 2.39 4.77 -1.26 -4.72 117.00 116.15 1afr n LEU 269 Ca 0.02 -2.46 -0.49 0.00 -0.03 0.00 0.00 56.01 53.06 1afr n LEU 269 Cb 0.24 -0.64 -0.05 0.00 -2.33 0.00 0.00 43.42 40.64 1afr n LEU 269 CO 0.20 0.58 1.19 0.80 -1.33 0.00 0.00 177.39 178.84 1afr n MET 270 N 0.56 1.86 -3.71 3.23 1.56 -0.96 -4.46 117.12 115.19 1afr n MET 270 Ca 0.23 0.67 -0.12 0.00 -0.27 0.00 0.00 57.70 58.22 1afr n MET 270 Cb 1.01 -2.42 -0.12 0.00 2.15 0.00 0.00 33.22 33.84 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 1.62 -0.45 -0.59 1.12 5.04 -1.26 -4.09 117.35 118.73 1afr s TYR 271 Ca 0.84 1.00 0.15 0.00 -2.44 0.00 0.00 57.07 56.63 1afr s TYR 271 Cb -0.77 0.14 0.56 0.00 0.35 0.00 0.00 41.96 42.24 1afr s TYR 271 CO 0.45 -0.28 1.47 -0.40 -1.34 0.00 0.00 175.55 175.45 1afr n ASP 272 N 4.20 4.08 0.00 4.32 5.75 -1.26 -4.24 116.55 129.41 1afr n ASP 272 Ca -0.24 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 51.90 1afr n ASP 272 Cb 0.54 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 0.25 2.18 0.00 6.12 0.00 -1.26 -4.77 105.19 107.71 1afr n GLY 273 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 -3.96 1.61 1.85 -1.26 -4.98 116.66 107.92 1afr n ARG 274 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.55 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 0.00 3.42 0.40 2.89 -1.08 -1.26 -4.99 116.67 116.04 1afr s ASP 275 Ca 0.00 -0.93 0.20 0.00 -0.52 0.00 0.00 52.55 51.31 1afr s ASP 275 Cb 0.00 -1.16 0.75 0.00 -1.46 0.00 0.00 42.92 41.06 1afr s ASP 275 CO 0.00 -0.18 1.76 0.44 0.52 0.00 0.00 175.17 177.72 1afr h ASP 276 N 8.00 0.00 -1.34 -0.34 3.32 -1.94 -3.15 116.42 120.97 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 -0.37 0.00 0.22 0.00 0.00 39.33 40.27 1afr h ASP 276 CO 0.44 0.32 -0.17 0.59 -1.72 0.00 0.00 179.24 178.70 1afr n ASN 277 N -3.48 5.75 -0.13 6.45 4.13 -1.26 -4.81 115.26 121.91 1afr n ASN 277 Ca -0.00 -3.76 -0.08 0.00 1.68 0.00 0.00 54.58 52.42 1afr n ASN 277 Cb 0.48 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 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 2.48 0.46 -0.66 3.41 5.85 -1.71 -1.44 115.31 123.70 1afr h LEU 278 Ca 0.42 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 1afr h LEU 278 Cb 0.89 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1afr h LEU 278 CO 1.05 0.34 0.28 0.15 -0.34 0.00 0.00 178.44 179.92 1afr h PHE 279 N 0.54 0.99 -0.67 1.25 3.57 -1.85 0.43 116.94 121.20 1afr h PHE 279 Ca 0.14 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.50 1afr h PHE 279 Cb -0.05 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.36 1afr h PHE 279 CO -0.05 0.77 0.10 -0.44 -2.23 0.00 0.00 178.31 176.46 1afr h ASP 280 N 0.93 1.07 -0.13 0.41 3.32 -1.87 0.61 116.42 120.75 1afr h ASP 280 Ca 0.22 -0.26 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 1afr h ASP 280 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1afr h ASP 280 CO -0.02 1.06 -0.32 0.45 -1.72 0.00 0.00 179.24 178.70 1afr h HIS 281 N 1.04 0.71 -0.10 4.55 3.86 -0.88 -0.03 115.15 124.30 1afr h HIS 281 Ca 0.20 -0.18 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1afr h HIS 281 Cb 0.45 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 1afr h HIS 281 CO 0.03 0.86 -0.05 0.35 0.86 0.00 0.00 177.93 179.98 1afr h PHE 282 N 0.53 0.25 -0.76 2.45 3.57 -0.76 -3.08 116.94 119.14 1afr h PHE 282 Ca 0.06 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.55 1afr h PHE 282 Cb 0.80 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 1afr h PHE 282 CO 0.03 0.58 0.46 0.77 -2.23 0.00 0.00 178.31 177.92 1afr h SER 283 N -0.14 0.72 -0.90 0.41 0.02 -0.62 -2.18 113.55 110.84 1afr h SER 283 Ca 0.02 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.07 1afr h SER 283 Cb 0.52 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 1afr h SER 283 CO 0.02 0.47 0.56 0.00 -1.14 0.00 0.00 176.83 176.74 1afr h ALA 284 N 1.36 1.28 -0.23 3.77 0.00 -0.97 0.52 119.26 125.00 1afr h ALA 284 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.08 1afr h ALA 284 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1afr h ALA 284 CO -0.16 0.25 -0.52 0.28 0.00 0.00 0.00 179.25 179.11 1afr h VAL 285 N 0.97 1.31 -0.47 0.00 2.07 -1.32 -0.35 116.25 118.46 1afr h VAL 285 Ca 0.41 -1.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.11 1afr h VAL 285 Cb 0.28 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 1afr h VAL 285 CO -0.21 0.55 -0.07 0.00 0.02 0.00 0.00 177.57 177.86 1afr h ALA 286 N 0.92 0.64 0.20 1.67 0.00 -0.92 -0.09 119.26 121.67 1afr h ALA 286 Ca 0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1afr h ALA 286 Cb 1.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1afr h ALA 286 CO 0.10 0.50 -0.11 0.37 0.00 0.00 0.00 179.25 180.11 1afr h GLN 287 N 0.72 -0.28 -0.89 0.00 5.75 -0.81 0.12 115.11 119.71 1afr h GLN 287 Ca 0.12 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.66 1afr h GLN 287 Cb 0.60 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.16 1afr h GLN 287 CO 0.04 -0.19 0.58 -0.09 -2.65 0.00 0.00 178.83 176.52 1afr h ARG 288 N -0.29 1.14 0.00 1.69 2.43 -0.91 -1.80 114.38 116.63 1afr h ARG 288 Ca -0.02 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1afr h ARG 288 Cb 0.24 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1afr h ARG 288 CO 0.03 0.75 -0.03 -0.07 -1.51 0.00 0.00 179.97 179.14 1afr h LEU 289 N 1.17 0.00 0.00 3.80 4.07 -0.77 -3.47 115.31 120.11 1afr h LEU 289 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1afr h LEU 289 Cb -0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.65 1afr h LEU 289 CO -0.09 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 177.91 1afr n GLY 290 N 0.64 0.62 0.13 0.83 0.00 0.19 -4.96 105.19 102.64 1afr n GLY 290 Ca 0.02 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 1.42 -1.48 1.61 2.07 -1.16 -3.43 116.25 115.28 1afr h VAL 291 Ca 0.00 -2.55 -0.16 0.00 0.82 0.00 0.00 66.70 64.81 1afr h VAL 291 Cb 0.01 3.08 -0.26 0.00 -1.52 0.00 0.00 31.29 32.61 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 -2.57 -1.17 0.58 1.57 5.04 -1.18 -4.10 117.35 115.52 1afr s TYR 292 Ca -0.12 0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.67 1afr s TYR 292 Cb 0.02 -0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.33 1afr s TYR 292 CO 0.87 -1.04 0.86 0.95 -1.34 0.00 0.00 175.55 175.85 1afr s THR 293 N 2.20 3.20 0.23 4.34 -4.23 -1.26 -3.56 115.64 116.55 1afr s THR 293 Ca 0.13 -0.28 0.34 0.00 -1.18 0.00 0.00 61.69 60.70 1afr s THR 293 Cb -0.11 -3.27 0.37 0.00 1.34 0.00 0.00 72.50 70.84 1afr s THR 293 CO -0.19 -0.24 2.04 0.00 -0.54 0.00 0.00 174.62 175.69 1afr h ALA 294 N -0.13 1.03 -0.58 3.99 0.00 -1.93 -1.85 119.26 119.79 1afr h ALA 294 Ca -0.45 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1afr h ALA 294 Cb 1.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1afr h ALA 294 CO 0.58 0.05 0.05 -0.22 0.00 0.00 0.00 179.25 179.71 1afr h LYS 295 N 0.00 0.97 -0.49 0.00 3.64 -1.93 -2.72 116.57 116.04 1afr h LYS 295 Ca -0.00 -0.27 0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1afr h LYS 295 Cb 0.44 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1afr h LYS 295 CO 0.01 0.93 0.33 -0.44 -2.27 0.00 0.00 179.45 178.00 1afr h ASP 296 N 0.90 0.37 -0.11 4.20 3.32 -1.71 -0.71 116.42 122.68 1afr h ASP 296 Ca 0.18 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1afr h ASP 296 Cb 0.46 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1afr h ASP 296 CO 0.02 0.24 0.03 0.22 -1.72 0.00 0.00 179.24 178.03 1afr h TYR 297 N 0.42 0.06 -0.16 4.55 5.03 -1.54 -0.09 116.97 125.24 1afr h TYR 297 Ca 0.21 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.51 1afr h TYR 297 Cb 0.31 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1afr h TYR 297 CO -0.00 0.03 0.01 0.00 -1.32 0.00 0.00 178.16 176.87 1afr h ALA 298 N 1.07 0.21 -0.94 1.82 0.00 -1.34 -2.49 119.26 117.60 1afr h ALA 298 Ca 0.05 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1afr h ALA 298 Cb 0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 1afr h ALA 298 CO -0.06 -0.10 0.60 -0.44 0.00 0.00 0.00 179.25 179.25 1afr h ASP 299 N 0.03 0.74 -0.22 0.00 5.19 -0.90 0.12 116.42 121.37 1afr h ASP 299 Ca 0.05 0.05 -0.18 0.00 -0.62 0.00 0.00 57.03 56.33 1afr h ASP 299 Cb 0.35 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 1afr h ASP 299 CO 0.01 0.36 -0.52 0.40 -3.12 0.00 0.00 179.24 176.37 1afr h ILE 300 N 0.77 1.28 -0.37 0.35 2.04 -0.90 -1.86 117.51 118.83 1afr h ILE 300 Ca 0.48 -1.72 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 1afr h ILE 300 Cb 0.69 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 1afr h ILE 300 CO -0.24 0.56 0.07 0.25 0.00 0.00 0.00 178.15 178.78 1afr h LEU 301 N 0.63 0.58 -0.83 1.44 5.85 -0.57 -1.56 115.31 120.84 1afr h LEU 301 Ca 0.02 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1afr h LEU 301 Cb 1.11 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1afr h LEU 301 CO 0.11 0.69 0.52 -0.08 -0.34 0.00 0.00 178.44 179.34 1afr h GLU 302 N 0.45 1.11 -0.31 1.25 4.81 -0.84 -0.76 114.58 120.29 1afr h GLU 302 Ca 0.11 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1afr h GLU 302 Cb 0.35 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1afr h GLU 302 CO 0.01 0.76 0.09 0.35 -0.73 0.00 0.00 179.01 179.49 1afr h PHE 303 N 1.13 0.51 -0.68 0.92 3.57 -1.17 -2.04 116.94 119.17 1afr h PHE 303 Ca 0.30 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1afr h PHE 303 Cb -0.08 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 1afr h PHE 303 CO -0.01 0.53 0.17 -0.07 -2.23 0.00 0.00 178.31 176.70 1afr h LEU 304 N 0.35 1.02 0.03 0.59 3.38 -0.76 0.50 115.31 120.42 1afr h LEU 304 Ca 0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1afr h LEU 304 Cb 0.26 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1afr h LEU 304 CO -0.00 0.98 -0.01 0.58 0.09 0.00 0.00 178.44 180.08 1afr h VAL 305 N 1.03 1.03 -0.03 1.22 2.07 -1.09 -0.78 116.25 119.71 1afr h VAL 305 Ca 0.22 -0.17 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 1afr h VAL 305 Cb 0.36 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1afr h VAL 305 CO 0.00 0.04 -0.44 1.23 0.02 0.00 0.00 177.57 178.42 1afr h GLY 306 N -0.11 0.06 1.04 2.17 0.00 -1.15 -1.01 103.07 104.08 1afr h GLY 306 Ca -0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 1afr h GLY 306 CO 0.01 0.06 -0.45 -0.09 0.00 0.00 0.00 176.54 176.07 1afr h ARG 307 N 0.05 0.76 -0.01 4.80 1.12 0.30 -2.97 114.38 118.42 1afr h ARG 307 Ca 0.00 -0.47 0.00 0.00 -1.11 0.00 0.00 59.98 58.40 1afr h ARG 307 Cb 0.81 0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.82 1afr h ARG 307 CO 0.06 1.10 -0.05 0.91 -3.11 0.00 0.00 179.97 178.88 1afr n TRP 308 N -4.14 0.00 -3.65 2.20 8.01 -0.32 -4.95 117.44 114.59 1afr n TRP 308 Ca -0.05 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.90 1afr n TRP 308 Cb 0.57 -0.03 0.07 0.00 -2.01 0.00 0.00 31.31 29.90 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 -0.14 -6.99 -0.32 -0.99 4.76 -0.49 -4.90 118.16 109.10 1afr n LYS 309 Ca 0.18 0.77 0.10 0.00 -2.87 0.00 0.00 58.31 56.49 1afr n LYS 309 Cb 0.32 -5.74 0.32 0.00 -1.84 0.00 0.00 35.03 28.09 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 -2.38 0.85 0.00 -0.18 2.07 -1.58 -0.96 116.25 114.08 1afr h VAL 310 Ca -0.58 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1afr h VAL 310 Cb 1.37 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1afr h VAL 310 CO 0.58 0.15 -0.04 -2.24 0.02 0.00 0.00 177.57 176.04 1afr h ASP 311 N 0.83 0.00 1.02 0.57 2.03 -1.91 -2.74 116.42 116.22 1afr h ASP 311 Ca 0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.79 1afr h ASP 311 Cb 0.65 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1afr h ASP 311 CO -0.25 0.04 -0.96 0.50 -1.03 0.00 0.00 179.24 177.54 1afr h LYS 312 N 0.00 0.00 -5.33 4.15 3.64 -1.55 -3.46 116.57 114.02 1afr h LYS 312 Ca -0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1afr h LYS 312 Cb 0.35 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1afr h LYS 312 CO 0.00 0.00 0.97 1.28 -2.27 0.00 0.00 179.45 179.44 1afr n LEU 313 N -2.66 1.29 -4.97 5.20 4.77 -1.03 -4.93 117.00 114.66 1afr n LEU 313 Ca 0.00 -0.90 -0.25 0.00 -0.03 0.00 0.00 56.01 54.83 1afr n LEU 313 Cb 0.54 -1.39 0.12 0.00 -2.33 0.00 0.00 43.42 40.36 1afr n LEU 313 CO 0.40 -1.96 0.63 0.42 -1.33 0.00 0.00 177.39 175.55 1afr s THR 314 N 11.21 2.14 -1.20 -5.08 -4.23 -1.26 -4.50 115.64 112.73 1afr s THR 314 Ca 1.05 -0.40 -0.04 0.00 -1.18 0.00 0.00 61.69 61.11 1afr s THR 314 Cb -0.37 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 70.74 1afr s THR 314 CO 0.25 0.00 1.03 0.61 -0.54 0.00 0.00 174.62 175.97 1afr n GLY 315 N -3.06 -0.38 3.71 3.99 0.00 -1.26 -5.00 105.19 103.18 1afr n GLY 315 Ca 0.14 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 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 -6.51 3.72 1.03 0.99 1.43 -1.26 -4.91 118.68 113.17 1afr s LEU 316 Ca 0.28 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.44 1afr s LEU 316 Cb -0.12 -1.87 0.21 0.00 0.03 0.00 0.00 46.19 44.44 1afr s LEU 316 CO 0.68 0.36 1.08 -0.44 0.23 0.00 0.00 176.35 178.26 1afr s SER 317 N -0.78 2.26 0.12 2.29 0.01 -1.26 -4.62 113.70 111.72 1afr s SER 317 Ca 0.12 1.35 -0.27 0.00 1.31 0.00 0.00 55.95 58.45 1afr s SER 317 Cb -0.12 -2.04 -0.08 0.00 0.21 0.00 0.00 66.02 63.99 1afr s SER 317 CO 0.02 -3.38 1.46 0.00 0.41 0.00 0.00 173.24 171.75 1afr h ALA 318 N -2.06 -0.63 0.00 1.44 0.00 -1.99 0.48 119.26 116.49 1afr h ALA 318 Ca -0.56 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1afr h ALA 318 Cb 1.32 1.15 -0.01 0.00 0.00 0.00 0.00 17.79 20.25 1afr h ALA 318 CO 0.55 -0.90 -0.48 1.49 0.00 0.00 0.00 179.25 179.91 1afr h GLU 319 N -0.23 0.00 0.00 0.00 4.57 -1.99 -1.59 114.58 115.34 1afr h GLU 319 Ca 0.09 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1afr h GLU 319 Cb 0.45 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1afr h GLU 319 CO -0.60 0.48 -0.14 0.78 -1.18 0.00 0.00 179.01 178.34 1afr h GLY 320 N 1.48 0.00 1.16 1.92 0.00 -1.59 0.18 103.07 106.22 1afr h GLY 320 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.11 1afr h GLY 320 CO 0.06 0.00 -0.71 1.46 0.00 0.00 0.00 176.54 177.35 1afr h GLN 321 N 0.00 0.82 -0.39 4.80 4.20 0.02 -1.10 115.11 123.47 1afr h GLN 321 Ca -0.00 -0.62 -0.02 0.00 0.06 0.00 0.00 58.65 58.06 1afr h GLN 321 Cb 0.26 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1afr h GLN 321 CO 0.02 1.24 0.17 -0.22 -0.67 0.00 0.00 178.83 179.36 1afr h LYS 322 N 0.57 0.58 0.08 1.46 1.63 -0.63 -2.39 116.57 117.87 1afr h LYS 322 Ca -0.03 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1afr h LYS 322 Cb 1.33 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1afr h LYS 322 CO 0.15 0.54 -0.04 0.00 -3.45 0.00 0.00 179.45 176.65 1afr h ALA 323 N 1.01 -0.11 -0.77 5.00 0.00 -0.67 -1.39 119.26 122.34 1afr h ALA 323 Ca 0.13 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1afr h ALA 323 Cb 0.17 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1afr h ALA 323 CO -0.01 -0.49 0.42 0.37 0.00 0.00 0.00 179.25 179.54 1afr h GLN 324 N -0.24 0.71 -0.09 0.00 4.15 -1.16 0.10 115.11 118.57 1afr h GLN 324 Ca -0.01 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 1afr h GLN 324 Cb 0.20 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 1afr h GLN 324 CO 0.02 0.47 0.02 0.22 -1.93 0.00 0.00 178.83 177.62 1afr h ASP 325 N 0.73 0.14 -0.65 -0.69 3.58 -1.30 -1.12 116.42 117.10 1afr h ASP 325 Ca 0.37 -0.25 0.06 0.00 0.42 0.00 0.00 57.03 57.62 1afr h ASP 325 Cb 0.33 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 1afr h ASP 325 CO -0.24 0.36 0.36 0.22 -2.88 0.00 0.00 179.24 177.06 1afr h TYR 326 N -0.08 0.66 -0.35 0.28 3.20 -0.71 -0.39 116.97 119.58 1afr h TYR 326 Ca 0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1afr h TYR 326 Cb 0.27 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1afr h TYR 326 CO 0.01 0.32 0.11 0.28 -1.64 0.00 0.00 178.16 177.24 1afr h VAL 327 N 0.67 1.21 -0.07 1.81 2.07 -0.90 -1.35 116.25 119.68 1afr h VAL 327 Ca 0.29 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1afr h VAL 327 Cb 0.18 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1afr h VAL 327 CO -0.18 0.23 -0.38 0.00 0.02 0.00 0.00 177.57 177.26 1afr n ARG 329 N -4.06 0.59 -0.02 0.00 1.74 -0.20 -4.44 116.66 110.26 1afr n ARG 329 Ca -0.01 0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 57.06 1afr n ARG 329 Cb 0.44 -1.79 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1afr n ARG 329 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1afr h LEU 330 N 0.00 -0.02 -0.58 0.55 5.85 -1.24 -3.08 115.31 116.79 1afr h LEU 330 Ca 0.00 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.85 1afr h LEU 330 Cb 0.98 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.94 1afr h LEU 330 CO 0.00 0.01 -0.31 -0.65 -0.34 0.00 0.00 178.44 177.15 1afr h PRO 331 N 0.07 -0.15 -0.21 5.25 0.11 -1.78 0.19 132.00 135.49 1afr h PRO 331 Ca 0.07 0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1afr h PRO 331 Cb 0.07 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 1afr h PRO 331 CO -0.10 -0.10 -0.21 -1.35 -0.21 0.00 0.00 178.00 176.03 1afr h PRO 332 N -0.15 0.38 0.11 1.05 0.11 -1.85 -0.97 132.00 130.68 1afr h PRO 332 Ca 0.24 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1afr h PRO 332 Cb 0.54 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1afr h PRO 332 CO -0.67 0.58 -0.05 -0.09 -0.21 0.00 0.00 178.00 177.56 1afr h ARG 333 N 0.34 -0.14 -0.15 1.05 2.43 -1.12 -2.16 114.38 114.63 1afr h ARG 333 Ca 0.06 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1afr h ARG 333 Cb 0.57 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 1afr h ARG 333 CO 0.04 0.04 -0.03 0.82 -1.51 0.00 0.00 179.97 179.33 1afr h ILE 334 N -0.30 0.85 -0.48 1.20 2.04 -0.46 0.11 117.51 120.46 1afr h ILE 334 Ca -0.01 -0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.93 1afr h ILE 334 Cb 0.25 0.85 -0.10 0.00 -0.74 0.00 0.00 36.82 37.07 1afr h ILE 334 CO 0.02 0.00 -0.32 -0.09 0.00 0.00 0.00 178.15 177.76 1afr h ARG 335 N 0.00 -0.20 -0.54 2.37 2.43 -1.07 0.97 114.38 118.35 1afr h ARG 335 Ca 0.07 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1afr h ARG 335 Cb 0.11 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1afr h ARG 335 CO -0.15 -0.13 0.07 0.00 -1.51 0.00 0.00 179.97 178.25 1afr h ARG 336 N -0.21 0.90 0.00 0.20 2.47 -1.06 -1.56 114.38 115.12 1afr h ARG 336 Ca 0.20 -0.25 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1afr h ARG 336 Cb 0.54 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 1afr h ARG 336 CO -0.60 0.88 0.00 1.25 0.56 0.00 0.00 179.97 182.06 1afr h LEU 337 N 0.78 0.00 -0.78 3.04 5.85 0.82 -2.80 115.31 122.22 1afr h LEU 337 Ca 0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1afr h LEU 337 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1afr h LEU 337 CO 0.01 0.00 -0.47 1.21 -0.34 0.00 0.00 178.44 178.85 1afr n GLU 338 N -2.83 1.43 0.11 1.25 4.07 0.32 -4.48 120.64 120.50 1afr n GLU 338 Ca 0.00 -0.74 -0.23 0.00 -0.06 0.00 0.00 57.16 56.13 1afr n GLU 338 Cb 0.23 -1.36 -0.15 0.00 -0.06 0.00 0.00 31.44 30.10 1afr n GLU 338 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1afr h GLU 339 N 1.73 0.46 -5.56 5.31 4.81 -1.02 -3.41 114.58 116.89 1afr h GLU 339 Ca 0.00 -0.78 -0.38 0.00 -0.13 0.00 0.00 59.36 58.08 1afr h GLU 339 Cb 0.60 0.29 -0.05 0.00 0.63 0.00 0.00 28.75 30.22 1afr h GLU 339 CO 0.00 1.37 1.18 0.50 -0.73 0.00 0.00 179.01 181.33 1afr s ARG 340 N -2.56 2.71 -0.12 1.92 3.52 -1.25 -4.68 118.95 118.49 1afr s ARG 340 Ca -0.11 -1.16 0.15 0.00 -0.13 0.00 0.00 55.73 54.48 1afr s ARG 340 Cb 0.03 -5.26 0.35 0.00 -1.56 0.00 0.00 34.95 28.51 1afr s ARG 340 CO 0.91 -3.66 1.17 0.00 -0.81 0.00 0.00 175.30 172.91 1afr n ALA 341 N 13.48 2.89 -0.18 6.12 0.00 -1.26 -4.96 120.51 136.59 1afr n ALA 341 Ca 0.44 -2.68 -0.02 0.00 0.00 0.00 0.00 53.44 51.18 1afr n ALA 341 Cb 0.47 -0.48 -0.00 0.00 0.00 0.00 0.00 19.45 19.44 1afr n ALA 341 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1afr n GLN 342 N -0.63 -0.14 0.14 0.00 7.27 -1.26 -2.80 117.38 119.97 1afr n GLN 342 Ca 0.13 0.71 -0.06 0.00 0.07 0.00 0.00 57.00 57.84 1afr n GLN 342 Cb 0.80 -1.05 -0.03 0.00 2.41 0.00 0.00 30.24 32.38 1afr n GLN 342 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1afr h GLY 343 N 0.00 -0.43 -0.23 1.69 0.00 -1.97 -3.26 103.07 98.86 1afr h GLY 343 Ca 0.13 0.16 0.03 0.00 0.00 0.00 0.00 47.33 47.65 1afr h GLY 343 CO -0.45 -0.16 -0.11 -2.13 0.00 0.00 0.00 176.54 173.69 1afr n ARG 344 N -4.13 -0.08 -0.08 4.80 0.00 -1.12 -1.49 116.66 114.56 1afr n ARG 344 Ca -0.05 0.35 -0.09 0.00 -0.00 0.00 0.00 57.85 58.06 1afr n ARG 344 Cb 0.16 -0.52 -0.11 0.00 0.00 0.00 0.00 32.46 31.99 1afr n ARG 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1afr n ALA 345 N -3.85 1.60 -0.03 5.13 0.00 -1.26 -4.15 120.51 117.95 1afr n ALA 345 Ca 0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.35 1afr n ALA 345 Cb 0.07 -0.05 -0.11 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.03 -0.32 0.00 3.64 -1.54 -3.31 116.57 115.01 1afr h LYS 346 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1afr h LYS 346 Cb 1.88 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 1afr h LYS 346 CO -0.00 0.65 0.00 0.39 -2.27 0.00 0.00 179.45 178.22 1afr n GLU 347 N -4.76 1.82 -1.63 1.90 1.02 -0.55 -4.98 120.64 113.45 1afr n GLU 347 Ca -0.09 -1.26 -0.50 0.00 -0.02 0.00 0.00 57.16 55.29 1afr n GLU 347 Cb 0.34 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.40 1afr n GLU 347 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1afr n ALA 348 N 0.51 0.10 -1.68 0.62 0.00 -1.21 -5.00 120.51 113.86 1afr n ALA 348 Ca 0.13 0.47 -0.29 0.00 0.00 0.00 0.00 53.44 53.74 1afr n ALA 348 Cb 0.31 -2.22 0.10 0.00 0.00 0.00 0.00 19.45 17.64 1afr n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1afr s PRO 349 N 1.09 1.83 0.19 0.00 0.04 -1.26 -4.53 135.00 132.36 1afr s PRO 349 Ca 0.84 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.13 1afr s PRO 349 Cb -0.84 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 31.72 1afr s PRO 349 CO 0.45 -1.74 0.51 0.99 0.04 0.00 0.00 177.00 177.25 1afr s THR 350 N -3.34 4.97 -0.16 1.26 2.01 -1.26 -1.20 115.64 117.92 1afr s THR 350 Ca 0.62 0.45 -0.16 0.00 0.31 0.00 0.00 61.69 62.91 1afr s THR 350 Cb -0.13 -3.64 0.04 0.00 0.01 0.00 0.00 72.50 68.79 1afr s THR 350 CO 0.52 0.02 0.45 -0.32 -0.69 0.00 0.00 174.62 174.60 1afr s MET 351 N -2.60 0.54 0.26 4.92 0.00 -0.04 -4.93 119.30 117.45 1afr s MET 351 Ca 0.44 0.58 -0.24 0.00 0.00 0.00 0.00 55.69 56.47 1afr s MET 351 Cb -0.12 0.26 -0.09 0.00 0.00 0.00 0.00 34.83 34.88 1afr s MET 351 CO 0.21 -0.07 0.84 -1.25 0.00 0.00 0.00 175.02 174.75 1afr s PRO 352 N 0.13 4.46 -0.09 4.11 0.04 -1.26 -0.71 135.00 141.69 1afr s PRO 352 Ca -0.01 1.13 0.03 0.00 0.04 0.00 0.00 61.00 62.20 1afr s PRO 352 Cb -0.03 -2.90 0.01 0.00 0.04 0.00 0.00 34.50 31.61 1afr s PRO 352 CO 0.01 0.37 -0.19 -0.06 0.04 0.00 0.00 177.00 177.17 1afr s PHE 353 N -1.51 2.08 0.49 0.56 0.40 -0.77 -4.95 117.98 114.28 1afr s PHE 353 Ca 0.45 -0.85 0.23 0.00 -0.60 0.00 0.00 56.93 56.16 1afr s PHE 353 Cb -0.19 -1.44 1.40 0.00 0.51 0.00 0.00 43.02 43.30 1afr s PHE 353 CO 0.23 -0.38 2.11 0.66 0.70 0.00 0.00 175.22 178.54 1afr h SER 354 N 6.90 0.00 -0.29 1.36 4.64 -1.93 -0.34 113.55 123.90 1afr h SER 354 Ca -0.25 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.15 1afr h SER 354 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1afr h SER 354 CO 0.48 0.09 0.23 -0.50 -0.87 0.00 0.00 176.83 176.25 1afr h TRP 355 N 0.00 0.00 -0.83 4.77 6.55 -1.92 -1.95 115.95 122.57 1afr h TRP 355 Ca -0.00 0.00 -0.58 0.00 0.95 0.00 0.00 58.89 59.26 1afr h TRP 355 Cb 0.20 0.00 -0.40 0.00 -0.86 0.00 0.00 29.16 28.09 1afr h TRP 355 CO 0.00 0.00 -0.51 0.44 -1.05 0.00 0.00 178.44 177.32 1afr n ILE 356 N -4.27 2.72 -2.81 1.49 -5.35 -0.25 -0.13 119.36 110.77 1afr n ILE 356 Ca 0.04 -4.03 -0.21 0.00 -0.27 0.00 0.00 62.75 58.27 1afr n ILE 356 Cb 0.39 -1.15 0.02 0.00 -1.74 0.00 0.00 39.64 37.15 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 -0.73 -1.62 -1.23 4.28 3.72 -0.73 -1.82 117.46 119.33 1afr n PHE 357 Ca 0.47 0.32 -0.08 0.00 -0.05 0.00 0.00 57.45 58.11 1afr n PHE 357 Cb 0.90 -4.13 -0.03 0.00 -0.94 0.00 0.00 39.48 35.28 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 -2.30 -4.54 -4.77 4.37 8.00 -0.53 -4.98 116.55 111.80 1afr n ASP 358 Ca -0.15 0.20 -0.32 0.00 0.71 0.00 0.00 54.79 55.23 1afr n ASP 358 Cb 0.64 -2.73 0.07 0.00 -0.02 0.00 0.00 41.12 39.08 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 -2.38 2.47 -0.04 -1.24 0.52 -0.76 -4.44 118.95 113.09 1afr s ARG 359 Ca 0.00 1.25 0.02 0.00 -0.52 0.00 0.00 55.73 56.48 1afr s ARG 359 Cb 0.00 -1.92 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 1afr s ARG 359 CO 0.00 -1.49 -0.09 -0.65 0.02 0.00 0.00 175.30 173.09 1afr s GLN 360 N -4.60 2.61 0.15 3.54 -0.21 -1.26 -1.85 119.66 118.04 1afr s GLN 360 Ca 0.63 -0.65 0.07 0.00 0.02 0.00 0.00 55.36 55.43 1afr s GLN 360 Cb -0.18 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.28 1afr s GLN 360 CO 0.51 0.63 -0.15 0.14 -2.12 0.00 0.00 175.29 174.30 1afr s VAL 361 N -0.85 1.52 0.35 1.09 -7.23 0.12 -4.83 120.40 110.57 1afr s VAL 361 Ca 0.13 -1.91 -0.27 0.00 -1.81 0.00 0.00 61.98 58.13 1afr s VAL 361 Cb -0.11 -1.75 -0.09 0.00 0.56 0.00 0.00 36.38 34.99 1afr s VAL 361 CO 0.03 -0.46 1.10 -0.54 -0.31 0.00 0.00 175.10 174.92 1afr s LYS 362 N -3.02 4.33 0.00 4.82 3.01 -1.26 -0.86 119.74 126.76 1afr s LYS 362 Ca 0.14 1.72 0.28 0.00 -1.01 0.00 0.00 55.97 57.10 1afr s LYS 362 Cb -0.03 -2.84 1.04 0.00 -1.01 0.00 0.00 37.83 34.98 1afr s LYS 362 CO 0.04 -0.05 1.74 1.28 0.51 0.00 0.00 175.35 178.87