#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 4.18 0.26 2.12 0.02 -1.26 -4.91 135.00 135.42 1afr s PRO 20 Ca 0.00 2.47 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1afr s PRO 20 Cb 0.00 -3.03 -0.13 0.00 0.02 0.00 0.00 34.50 31.35 1afr s PRO 20 CO 0.00 -0.51 1.38 -2.30 -0.33 0.00 0.00 177.00 175.24 1afr n PRO 21 N 1.62 2.06 -4.08 5.54 -0.02 -1.26 -5.00 135.00 133.86 1afr n PRO 21 Ca 0.05 0.73 -0.22 0.00 -2.02 0.00 0.00 63.50 62.04 1afr n PRO 21 Cb 0.39 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1afr n PRO 21 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1afr s ARG 22 N -0.74 2.54 0.33 -0.52 0.52 -1.26 -4.86 118.95 114.96 1afr s ARG 22 Ca 0.65 -1.37 -0.29 0.00 -0.52 0.00 0.00 55.73 54.21 1afr s ARG 22 Cb -0.63 -2.32 -0.10 0.00 0.52 0.00 0.00 34.95 32.43 1afr s ARG 22 CO 0.52 0.22 1.24 -1.21 0.02 0.00 0.00 175.30 176.09 1afr s GLU 23 N -3.84 4.39 -0.59 3.54 0.41 -1.26 -4.95 118.70 116.40 1afr s GLU 23 Ca 0.36 2.08 0.01 0.00 -0.41 0.00 0.00 54.97 57.01 1afr s GLU 23 Cb -0.05 -3.06 0.44 0.00 -1.78 0.00 0.00 34.13 29.67 1afr s GLU 23 CO 0.23 -0.10 1.78 1.33 -0.49 0.00 0.00 175.26 178.01 1afr n VAL 24 N 0.82 3.29 -4.18 2.63 0.24 -1.26 -4.98 118.33 114.89 1afr n VAL 24 Ca 0.00 -3.54 -0.12 0.00 -2.04 0.00 0.00 64.34 58.64 1afr n VAL 24 Cb 0.43 -1.17 -0.09 0.00 -1.47 0.00 0.00 33.84 31.54 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 -3.79 1.12 -0.06 6.34 3.76 -1.26 -5.14 115.29 116.26 1afr s HIS 25 Ca 0.59 -1.33 -0.20 0.00 -0.15 0.00 0.00 55.06 53.97 1afr s HIS 25 Cb 0.47 -0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.63 1afr s HIS 25 CO -0.06 -0.71 0.55 0.14 -0.85 0.00 0.00 174.74 173.81 1afr s VAL 26 N -4.06 5.05 -0.44 -0.90 -7.23 -1.26 -5.00 120.40 106.55 1afr s VAL 26 Ca 0.37 1.13 -0.27 0.00 -1.81 0.00 0.00 61.98 61.41 1afr s VAL 26 Cb 0.06 -3.89 -0.05 0.00 0.56 0.00 0.00 36.38 33.06 1afr s VAL 26 CO 0.13 0.37 2.16 -1.58 -0.31 0.00 0.00 175.10 175.87 1afr s GLN 27 N 0.23 2.59 -0.24 4.82 0.74 -1.26 -4.96 119.66 121.58 1afr s GLN 27 Ca 0.30 1.35 -0.08 0.00 0.05 0.00 0.00 55.36 56.97 1afr s GLN 27 Cb -0.17 -4.44 -0.04 0.00 1.10 0.00 0.00 33.01 29.46 1afr s GLN 27 CO 0.14 -2.73 0.10 0.08 -0.55 0.00 0.00 175.29 172.33 1afr s VAL 28 N 10.00 4.64 -0.04 1.34 1.01 -1.26 -5.09 120.40 131.00 1afr s VAL 28 Ca 0.89 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.86 1afr s VAL 28 Cb -0.20 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1afr s VAL 28 CO 0.28 0.34 -0.22 0.42 0.00 0.00 0.00 175.10 175.92 1afr s THR 29 N 1.38 1.76 -0.99 3.92 -4.23 -1.26 -4.31 115.64 111.91 1afr s THR 29 Ca 0.06 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.59 1afr s THR 29 Cb -0.15 -1.49 -0.05 0.00 1.34 0.00 0.00 72.50 72.15 1afr s THR 29 CO 0.05 0.50 0.87 1.41 -0.54 0.00 0.00 174.62 176.91 1afr n HIS 30 N 2.82 -2.56 1.11 3.99 8.25 -0.22 -4.93 115.22 123.68 1afr n HIS 30 Ca -0.17 0.90 0.13 0.00 -0.26 0.00 0.00 57.72 58.33 1afr n HIS 30 Cb 0.52 -4.11 0.50 0.00 1.12 0.00 0.00 29.99 28.02 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 -2.93 0.28 -4.76 0.41 3.41 -1.05 -4.83 113.62 104.15 1afr n SER 31 Ca -0.06 -0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.15 1afr n SER 31 Cb 0.60 -0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.86 4.27 -0.14 4.33 0.00 -1.26 -5.03 119.30 118.61 1afr s MET 32 Ca 0.17 0.60 -0.36 0.00 0.00 0.00 0.00 55.69 56.10 1afr s MET 32 Cb 0.19 -3.36 -0.13 0.00 0.00 0.00 0.00 34.83 31.53 1afr s MET 32 CO 0.57 0.34 1.86 -2.30 0.00 0.00 0.00 175.02 175.49 1afr n PRO 33 N 2.92 1.94 -0.04 4.11 -0.02 -1.26 -4.87 135.00 137.78 1afr n PRO 33 Ca -0.08 0.71 0.23 0.00 -2.02 0.00 0.00 63.50 62.35 1afr n PRO 33 Cb 0.51 -2.52 0.57 0.00 -0.02 0.00 0.00 33.50 32.04 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 8.80 0.00 0.00 0.52 0.11 -1.95 0.48 132.00 139.96 1afr h PRO 34 Ca -0.48 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 1afr h PRO 34 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1afr h PRO 34 CO 0.95 0.00 -0.88 1.96 -0.21 0.00 0.00 178.00 179.82 1afr h GLN 35 N 0.00 0.00 0.00 1.05 7.50 -2.05 -3.21 115.11 118.40 1afr h GLN 35 Ca 0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.48 1afr h GLN 35 Cb 2.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.57 1afr h GLN 35 CO -0.00 0.88 0.00 1.63 -1.50 0.00 0.00 178.83 179.84 1afr n LYS 36 N -3.37 0.17 0.06 1.46 5.02 0.17 -1.80 118.16 119.87 1afr n LYS 36 Ca 0.00 0.53 0.05 0.00 -2.02 0.00 0.00 58.31 56.87 1afr n LYS 36 Cb 0.87 -1.91 0.48 0.00 -0.02 0.00 0.00 35.03 34.46 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 1.07 -0.86 -0.18 2.04 -1.65 -1.28 117.51 116.65 1afr h ILE 37 Ca 0.00 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1afr h ILE 37 Cb 0.19 0.62 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1afr h ILE 37 CO 0.00 0.08 0.56 -0.33 0.00 0.00 0.00 178.15 178.46 1afr h GLU 38 N 0.42 0.93 -0.61 2.37 4.39 -1.59 -1.25 114.58 119.24 1afr h GLU 38 Ca 0.12 -0.06 0.10 0.00 0.34 0.00 0.00 59.36 59.86 1afr h GLU 38 Cb -0.02 -0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 28.35 1afr h GLU 38 CO -0.03 0.62 0.22 0.82 -1.16 0.00 0.00 179.01 179.48 1afr h ILE 39 N 0.96 0.76 -0.30 3.13 2.04 -1.42 0.14 117.51 122.82 1afr h ILE 39 Ca 0.37 -0.14 -0.17 0.00 1.00 0.00 0.00 64.86 65.92 1afr h ILE 39 Cb 0.22 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1afr h ILE 39 CO -0.14 0.07 -0.50 -0.26 0.00 0.00 0.00 178.15 177.32 1afr h PHE 40 N 0.40 1.04 0.00 1.37 -1.00 -1.32 -0.09 116.94 117.34 1afr h PHE 40 Ca 0.31 -0.35 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 1afr h PHE 40 Cb 0.39 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1afr h PHE 40 CO -0.17 1.17 -0.27 0.87 -1.61 0.00 0.00 178.31 178.29 1afr h LYS 41 N 0.66 0.00 -0.00 1.51 1.79 -0.73 -1.81 116.57 117.98 1afr h LYS 41 Ca 0.03 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.30 1afr h LYS 41 Cb 1.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.74 1afr h LYS 41 CO 0.11 0.27 -0.88 0.77 -1.08 0.00 0.00 179.45 178.64 1afr h SER 42 N 0.00 0.32 -0.07 0.86 0.02 -0.40 -3.12 113.55 111.16 1afr h SER 42 Ca -0.00 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1afr h SER 42 Cb 0.53 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1afr h SER 42 CO 0.04 1.05 0.00 0.18 -1.14 0.00 0.00 176.83 176.95 1afr n LEU 43 N -3.68 0.88 0.06 5.07 4.77 -0.08 -4.28 117.00 119.74 1afr n LEU 43 Ca -0.04 -0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 55.37 1afr n LEU 43 Cb 0.81 -0.26 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 1afr n LEU 43 CO 0.48 0.18 0.80 -0.78 -1.33 0.00 0.00 177.39 176.75 1afr h ASP 44 N 0.41 -0.07 0.76 -1.43 1.82 -1.46 0.37 116.42 116.82 1afr h ASP 44 Ca 0.00 -0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 56.44 1afr h ASP 44 Cb 0.35 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 1afr h ASP 44 CO 0.02 0.04 -0.55 0.78 -1.61 0.00 0.00 179.24 177.92 1afr h ASN 45 N -0.18 0.00 -0.35 2.28 2.35 -1.86 -2.20 115.58 115.63 1afr h ASN 45 Ca -0.01 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 1afr h ASN 45 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1afr h ASN 45 CO 0.01 0.55 0.05 -0.25 -1.65 0.00 0.00 177.43 176.14 1afr h TRP 46 N 0.00 0.62 0.16 1.19 7.01 -1.77 -2.62 115.95 120.53 1afr h TRP 46 Ca -0.01 -0.09 0.01 0.00 2.11 0.00 0.00 58.89 60.91 1afr h TRP 46 Cb 1.08 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.95 1afr h TRP 46 CO 0.00 0.65 -0.22 0.00 -2.79 0.00 0.00 178.44 176.08 1afr h ALA 47 N 0.89 -0.41 -0.38 2.65 0.00 -0.77 0.13 119.26 121.38 1afr h ALA 47 Ca 0.10 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1afr h ALA 47 Cb 0.37 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1afr h ALA 47 CO 0.01 -0.77 0.43 1.49 0.00 0.00 0.00 179.25 180.42 1afr h GLU 48 N -0.44 0.00 0.01 0.00 4.81 -1.29 0.12 114.58 117.79 1afr h GLU 48 Ca 0.02 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.86 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 -0.10 0.00 -2.43 0.39 -0.73 0.00 0.00 179.01 176.15 1afr n GLU 49 N -3.67 0.66 -0.00 1.92 -0.58 -0.89 -4.41 120.64 113.67 1afr n GLU 49 Ca 0.07 0.16 0.09 0.00 -0.42 0.00 0.00 57.16 57.05 1afr n GLU 49 Cb 0.60 -1.54 -0.11 0.00 -0.57 0.00 0.00 31.44 29.82 1afr n GLU 49 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1afr n ASN 50 N -3.26 0.84 -0.04 1.62 3.02 -0.02 -4.56 115.26 112.86 1afr n ASN 50 Ca -0.44 -0.66 -0.09 0.00 -0.03 0.00 0.00 54.58 53.36 1afr n ASN 50 Cb 1.00 1.23 -0.03 0.00 -0.61 0.00 0.00 39.78 41.37 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 -1.61 1.09 0.00 2.41 2.08 0.38 -4.64 119.36 119.07 1afr n ILE 51 Ca 0.01 0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.41 1afr n ILE 51 Cb 0.33 -1.83 0.00 0.00 -0.75 0.00 0.00 39.64 37.39 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 -3.80 0.00 -0.06 1.39 4.77 -1.03 -0.40 117.00 117.88 1afr n LEU 52 Ca -0.15 0.22 0.13 0.00 -0.03 0.00 0.00 56.01 56.18 1afr n LEU 52 Cb 0.44 -0.22 0.45 0.00 -2.33 0.00 0.00 43.42 41.76 1afr n LEU 52 CO 0.06 -0.22 0.71 1.33 -1.33 0.00 0.00 177.39 177.95 1afr n VAL 53 N -1.20 0.00 1.36 4.08 0.24 -1.26 -3.47 118.33 118.07 1afr n VAL 53 Ca 0.00 -0.03 0.13 0.00 -2.04 0.00 0.00 64.34 62.40 1afr n VAL 53 Cb 0.02 -0.01 0.45 0.00 -1.47 0.00 0.00 33.84 32.83 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 -1.26 0.09 -3.35 6.34 8.25 0.47 -4.82 115.22 120.93 1afr n HIS 54 Ca 0.09 -0.04 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 1afr n HIS 54 Cb 0.32 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.83 4.24 -0.04 2.41 1.43 -1.23 -4.81 118.68 118.85 1afr s LEU 55 Ca 0.36 0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 53.90 1afr s LEU 55 Cb 0.20 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 1afr s LEU 55 CO 0.31 -0.01 0.86 -0.75 0.23 0.00 0.00 176.35 176.98 1afr s LYS 56 N 0.79 4.49 0.39 1.70 2.47 -1.26 -5.01 119.74 123.30 1afr s LYS 56 Ca 0.23 1.17 -0.27 0.00 -1.56 0.00 0.00 55.97 55.55 1afr s LYS 56 Cb -0.15 -3.47 -0.09 0.00 -1.46 0.00 0.00 37.83 32.67 1afr s LYS 56 CO 0.09 -0.03 1.30 -1.25 0.16 0.00 0.00 175.35 175.61 1afr s PRO 57 N 1.05 4.06 0.29 4.03 0.04 -1.26 -4.85 135.00 138.34 1afr s PRO 57 Ca 0.45 2.15 -0.05 0.00 0.04 0.00 0.00 61.00 63.60 1afr s PRO 57 Cb -0.19 -2.82 0.56 0.00 0.04 0.00 0.00 34.50 32.08 1afr s PRO 57 CO 0.22 -0.42 1.57 0.28 0.04 0.00 0.00 177.00 178.70 1afr h VAL 58 N 2.58 0.04 0.00 -0.36 2.07 -1.96 0.19 116.25 118.81 1afr h VAL 58 Ca -0.49 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1afr h VAL 58 Cb 1.24 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1afr h VAL 58 CO 0.63 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.89 1afr h GLU 59 N 0.01 0.00 -0.44 1.57 4.39 -2.02 -2.13 114.58 115.96 1afr h GLU 59 Ca 0.51 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.21 1afr h GLU 59 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1afr h GLU 59 CO -0.95 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 178.53 1afr n LYS 60 N -2.99 3.12 -3.71 2.33 5.02 0.65 -4.99 118.16 117.59 1afr n LYS 60 Ca -0.01 -2.52 -0.31 0.00 -2.02 0.00 0.00 58.31 53.45 1afr n LYS 60 Cb 0.17 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.66 3.38 0.16 0.00 1.48 -1.26 -5.04 118.94 116.00 1afr s TRP 62 Ca 0.40 1.49 0.10 0.00 -1.06 0.00 0.00 56.10 57.03 1afr s TRP 62 Cb -0.12 -2.78 -0.04 0.00 -1.16 0.00 0.00 33.47 29.37 1afr s TRP 62 CO 0.26 -0.21 -0.22 -0.65 -4.06 0.00 0.00 176.95 172.07 1afr s GLN 63 N -3.59 1.35 0.30 3.25 -1.52 -1.26 -5.03 119.66 113.16 1afr s GLN 63 Ca 0.59 -1.40 0.05 0.00 -1.95 0.00 0.00 55.36 52.66 1afr s GLN 63 Cb -0.10 -1.61 0.80 0.00 -0.22 0.00 0.00 33.01 31.88 1afr s GLN 63 CO 0.22 0.35 1.64 -1.35 -0.25 0.00 0.00 175.29 175.91 1afr h PRO 64 N 3.48 0.19 0.00 2.91 0.11 -1.98 0.22 132.00 136.93 1afr h PRO 64 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1afr h PRO 64 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1afr h PRO 64 CO 0.46 0.13 0.15 0.37 -0.21 0.00 0.00 178.00 178.90 1afr h GLN 65 N 0.20 0.00 0.00 1.05 5.75 -1.96 0.29 115.11 120.45 1afr h GLN 65 Ca 0.60 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.10 1afr h GLN 65 Cb 1.26 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.81 1afr h GLN 65 CO -0.68 0.00 0.00 -0.44 -2.65 0.00 0.00 178.83 175.06 1afr h ASP 66 N 0.00 0.00 0.00 -0.69 3.32 -0.97 -3.18 116.42 114.90 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 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 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 -3.06 0.00 -4.47 4.55 3.72 0.09 -5.05 117.46 113.24 1afr n PHE 67 Ca 0.00 -0.52 -0.24 0.00 -0.05 0.00 0.00 57.45 56.64 1afr n PHE 67 Cb 0.29 -0.06 -0.10 0.00 -0.94 0.00 0.00 39.48 38.67 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 2.59 0.42 4.37 1.43 -1.19 -5.01 118.68 120.17 1afr s LEU 68 Ca 0.03 -1.03 -0.25 0.00 -1.03 0.00 0.00 54.13 51.86 1afr s LEU 68 Cb 0.03 -1.10 -0.10 0.00 0.03 0.00 0.00 46.19 45.05 1afr s LEU 68 CO 0.00 0.04 1.12 -2.65 0.23 0.00 0.00 176.35 175.09 1afr n PRO 69 N -0.60 1.57 -2.98 1.29 -0.02 -1.26 -4.91 135.00 128.09 1afr n PRO 69 Ca -0.05 0.56 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1afr n PRO 69 Cb 0.60 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.67 6.40 0.31 2.55 -1.08 -1.26 -4.92 116.67 118.00 1afr s ASP 70 Ca 0.63 -0.14 0.25 0.00 -0.52 0.00 0.00 52.55 52.76 1afr s ASP 70 Cb -0.53 -2.38 1.09 0.00 -1.46 0.00 0.00 42.92 39.64 1afr s ASP 70 CO 0.57 -0.90 1.75 1.55 0.52 0.00 0.00 175.17 178.66 1afr h PRO 71 N 8.97 0.00 -0.62 4.34 0.13 -1.95 -2.47 132.00 140.40 1afr h PRO 71 Ca -0.25 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.66 1afr h PRO 71 Cb 1.09 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.08 1afr h PRO 71 CO 0.95 0.00 0.21 0.00 -0.23 0.00 0.00 178.00 178.94 1afr n ALA 72 N -1.82 4.43 -2.44 -0.56 0.00 -1.26 -4.95 120.51 113.90 1afr n ALA 72 Ca 0.01 -2.61 -0.26 0.00 0.00 0.00 0.00 53.44 50.59 1afr n ALA 72 Cb 0.21 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.56 3.09 0.52 0.00 0.15 -0.93 -5.02 113.70 109.95 1afr s SER 73 Ca 0.51 -0.81 0.33 0.00 0.70 0.00 0.00 55.95 56.69 1afr s SER 73 Cb 0.42 -0.21 1.45 0.00 -1.71 0.00 0.00 66.02 65.98 1afr s SER 73 CO 0.09 0.09 1.99 0.44 1.20 0.00 0.00 173.24 177.05 1afr h ASP 74 N 3.52 0.00 -0.41 5.45 3.32 -1.92 -2.28 116.42 124.10 1afr h ASP 74 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1afr h ASP 74 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1afr h ASP 74 CO 0.45 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.58 1afr n GLY 75 N -0.15 1.29 0.49 2.75 0.00 -1.26 -4.48 105.19 103.83 1afr n GLY 75 Ca 0.00 -0.48 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.42 -0.23 1.61 3.57 -1.55 -1.21 116.94 120.16 1afr h PHE 76 Ca 0.00 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1afr h PHE 76 Cb 0.74 0.58 -0.07 0.00 2.79 0.00 0.00 35.95 39.98 1afr h PHE 76 CO 0.36 -0.63 -0.33 -0.44 -2.23 0.00 0.00 178.31 175.04 1afr h ASP 77 N -0.88 -1.04 0.20 0.41 3.32 -1.85 0.15 116.42 116.72 1afr h ASP 77 Ca -0.03 0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1afr h ASP 77 Cb 0.82 0.46 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1afr h ASP 77 CO -0.16 -0.35 -0.21 1.05 -1.72 0.00 0.00 179.24 177.85 1afr h GLU 78 N -0.35 0.03 -0.19 3.56 4.11 -1.86 -0.28 114.58 119.60 1afr h GLU 78 Ca 0.12 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.51 1afr h GLU 78 Cb 0.54 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1afr h GLU 78 CO -0.42 0.24 -0.01 1.96 0.07 0.00 0.00 179.01 180.86 1afr h GLN 79 N 0.03 0.33 -0.68 1.06 4.20 0.14 -0.13 115.11 120.05 1afr h GLN 79 Ca 0.00 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1afr h GLN 79 Cb 0.40 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1afr h GLN 79 CO 0.03 0.55 0.12 0.28 -0.67 0.00 0.00 178.83 179.14 1afr h VAL 80 N 0.08 1.26 -0.51 -0.54 2.07 -0.38 -1.08 116.25 117.15 1afr h VAL 80 Ca 0.05 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1afr h VAL 80 Cb 0.40 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1afr h VAL 80 CO 0.01 0.39 0.24 -0.09 0.02 0.00 0.00 177.57 178.14 1afr h ARG 81 N 1.05 0.74 -0.33 1.57 2.43 -0.90 -1.57 114.38 117.37 1afr h ARG 81 Ca 0.21 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1afr h ARG 81 Cb 0.43 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1afr h ARG 81 CO 0.01 0.62 0.04 0.93 -1.51 0.00 0.00 179.97 180.06 1afr h GLU 82 N 0.68 0.55 -0.78 0.20 5.08 -0.85 -0.96 114.58 118.50 1afr h GLU 82 Ca 0.18 -0.15 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1afr h GLU 82 Cb 0.12 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.23 1afr h GLU 82 CO -0.02 0.65 0.40 1.25 -1.00 0.00 0.00 179.01 180.29 1afr h LEU 83 N 0.38 0.51 -0.67 1.33 6.46 -0.98 -1.47 115.31 120.87 1afr h LEU 83 Ca 0.10 0.07 -0.14 0.00 -0.12 0.00 0.00 57.88 57.79 1afr h LEU 83 Cb 0.37 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 1afr h LEU 83 CO 0.01 0.27 -0.64 0.03 -0.62 0.00 0.00 178.44 177.48 1afr h ARG 84 N 0.64 0.09 -0.12 1.25 3.08 -0.97 -2.40 114.38 115.95 1afr h ARG 84 Ca 0.40 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.34 1afr h ARG 84 Cb 0.47 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 1afr h ARG 84 CO -0.30 0.70 -0.11 0.93 -1.07 0.00 0.00 179.97 180.12 1afr h GLU 85 N 0.06 0.28 -0.95 0.04 5.08 -0.51 -3.09 114.58 115.49 1afr h GLU 85 Ca -0.01 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1afr h GLU 85 Cb 1.15 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.34 1afr h GLU 85 CO 0.09 0.68 0.61 0.00 -1.00 0.00 0.00 179.01 179.39 1afr h ARG 86 N -0.12 1.13 0.00 2.33 3.08 -1.28 -2.16 114.38 117.36 1afr h ARG 86 Ca 0.02 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1afr h ARG 86 Cb 0.63 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1afr h ARG 86 CO 0.03 0.74 -0.00 0.00 -1.07 0.00 0.00 179.97 179.67 1afr h ALA 87 N 1.41 1.37 0.00 0.04 0.00 -1.40 -0.74 119.26 119.94 1afr h ALA 87 Ca 0.39 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 1afr h ALA 87 Cb 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1afr h ALA 87 CO -0.14 0.00 -0.54 0.87 0.00 0.00 0.00 179.25 179.44 1afr h LYS 88 N 0.00 0.00 0.00 0.00 1.57 -1.31 -2.82 116.57 114.01 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 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1afr h LYS 88 CO 0.00 0.54 0.00 0.39 -0.57 0.00 0.00 179.45 179.81 1afr n GLU 89 N -3.59 0.03 -3.49 3.15 1.02 -0.29 -4.68 120.64 112.79 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 0.61 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.39 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 -3.02 5.24 0.57 -3.67 1.01 -1.07 -4.99 121.20 115.28 1afr s ILE 90 Ca 0.11 0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.83 1afr s ILE 90 Cb 0.15 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 1afr s ILE 90 CO 0.44 0.15 1.21 -2.16 0.00 0.00 0.00 174.94 174.58 1afr s PRO 91 N 1.90 3.08 0.50 2.79 0.04 -1.26 -4.87 135.00 137.18 1afr s PRO 91 Ca 0.10 1.85 0.27 0.00 0.04 0.00 0.00 61.00 63.26 1afr s PRO 91 Cb -0.16 -2.01 1.36 0.00 0.04 0.00 0.00 34.50 33.73 1afr s PRO 91 CO 0.11 -1.13 1.89 -0.44 0.04 0.00 0.00 177.00 177.47 1afr h ASP 92 N 1.06 0.12 -0.09 6.66 3.32 -1.96 -1.33 116.42 124.20 1afr h ASP 92 Ca -0.50 0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.60 1afr h ASP 92 Cb 1.29 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.79 1afr h ASP 92 CO 0.56 0.05 -0.16 0.44 -1.72 0.00 0.00 179.24 178.40 1afr h ASP 93 N 0.12 -0.50 -0.50 6.45 3.32 -1.94 -1.15 116.42 122.21 1afr h ASP 93 Ca 0.43 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.56 1afr h ASP 93 Cb 1.49 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 41.25 1afr h ASP 93 CO -0.06 -0.22 0.30 0.22 -1.72 0.00 0.00 179.24 177.77 1afr h TYR 94 N -0.22 0.66 -0.64 4.55 5.03 -1.62 -2.85 116.97 121.88 1afr h TYR 94 Ca 0.08 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 1afr h TYR 94 Cb 0.34 -0.22 -0.03 0.00 1.55 0.00 0.00 36.73 38.37 1afr h TYR 94 CO -0.26 0.46 0.36 0.74 -1.32 0.00 0.00 178.16 178.14 1afr h PHE 95 N 0.67 0.86 -0.81 -3.82 0.04 -1.13 0.47 116.94 113.22 1afr h PHE 95 Ca 0.18 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 1afr h PHE 95 Cb -0.01 -0.28 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 1afr h PHE 95 CO -0.03 0.59 0.36 0.28 -0.60 0.00 0.00 178.31 178.91 1afr h VAL 96 N 0.89 1.26 -0.08 -0.55 2.07 -0.99 0.11 116.25 118.96 1afr h VAL 96 Ca 0.23 -0.76 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1afr h VAL 96 Cb 0.01 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1afr h VAL 96 CO -0.04 0.32 -0.18 0.58 0.02 0.00 0.00 177.57 178.27 1afr h VAL 97 N 1.17 1.41 -0.85 2.57 2.07 -1.31 -1.58 116.25 119.72 1afr h VAL 97 Ca 0.28 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.38 1afr h VAL 97 Cb 0.16 2.18 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 1afr h VAL 97 CO -0.03 0.42 0.52 0.25 0.02 0.00 0.00 177.57 178.75 1afr h LEU 98 N -0.21 0.81 -0.43 2.57 5.85 -0.74 -0.37 115.31 122.79 1afr h LEU 98 Ca 0.00 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1afr h LEU 98 Cb 0.77 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1afr h LEU 98 CO 0.04 0.51 0.09 0.58 -0.34 0.00 0.00 178.44 179.31 1afr h VAL 99 N 0.94 1.24 -0.90 1.05 2.07 -0.72 -0.60 116.25 119.32 1afr h VAL 99 Ca 0.38 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1afr h VAL 99 Cb 0.21 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1afr h VAL 99 CO -0.19 0.29 0.50 1.23 0.02 0.00 0.00 177.57 179.43 1afr h GLY 100 N 0.56 1.34 0.93 2.17 0.00 -0.44 0.55 103.07 108.18 1afr h GLY 100 Ca 0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 1afr h GLY 100 CO 0.00 0.58 0.11 -0.55 0.00 0.00 0.00 176.54 176.68 1afr h ASP 101 N 1.26 0.58 -0.51 0.19 3.32 -0.79 -2.20 116.42 118.27 1afr h ASP 101 Ca 0.32 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1afr h ASP 101 Cb 0.01 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1afr h ASP 101 CO -0.05 0.64 0.29 -0.03 -1.72 0.00 0.00 179.24 178.37 1afr h MET 102 N 0.49 0.70 -0.91 3.56 4.05 -0.53 -2.18 114.93 120.11 1afr h MET 102 Ca 0.13 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1afr h MET 102 Cb 0.28 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 1afr h MET 102 CO -0.00 0.53 0.54 0.82 0.23 0.00 0.00 176.91 179.04 1afr h ILE 103 N 0.68 1.25 -0.44 1.77 2.04 -0.77 -0.68 117.51 121.36 1afr h ILE 103 Ca 0.18 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1afr h ILE 103 Cb 0.03 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 1afr h ILE 103 CO -0.03 0.26 0.22 0.74 0.00 0.00 0.00 178.15 179.35 1afr h THR 104 N 1.25 1.17 -0.67 -0.27 2.02 -1.08 -2.85 112.91 112.49 1afr h THR 104 Ca 0.33 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1afr h THR 104 Cb -0.05 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1afr h THR 104 CO -0.06 0.18 0.39 -0.33 0.37 0.00 0.00 175.52 176.07 1afr h GLU 105 N 0.57 0.91 0.00 6.66 4.39 -0.74 -2.54 114.58 123.82 1afr h GLU 105 Ca 0.15 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1afr h GLU 105 Cb 0.09 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1afr h GLU 105 CO -0.02 0.66 0.00 0.93 -1.16 0.00 0.00 179.01 179.42 1afr h GLU 106 N 0.91 0.00 -0.93 2.33 4.39 -0.95 -2.86 114.58 117.47 1afr h GLU 106 Ca 0.24 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1afr h GLU 106 Cb -0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1afr h GLU 106 CO -0.04 0.00 0.01 0.00 -1.16 0.00 0.00 179.01 177.82 1afr n ALA 107 N -1.92 2.77 -0.32 3.43 0.00 -0.96 -4.62 120.51 118.88 1afr n ALA 107 Ca -0.00 -0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.19 1afr n ALA 107 Cb 0.16 -1.03 0.22 0.00 0.00 0.00 0.00 19.45 18.80 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 0.72 -0.52 -0.97 0.00 5.85 -1.69 -2.27 115.31 116.43 1afr h LEU 108 Ca 0.01 0.26 0.25 0.00 0.84 0.00 0.00 57.88 59.24 1afr h LEU 108 Cb 0.80 0.47 -0.13 0.00 0.37 0.00 0.00 40.66 42.17 1afr h LEU 108 CO 0.09 -0.29 0.52 -0.65 -0.34 0.00 0.00 178.44 177.77 1afr h PRO 109 N 0.04 0.46 -0.92 5.25 0.11 -1.91 0.23 132.00 135.25 1afr h PRO 109 Ca 0.52 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.61 1afr h PRO 109 Cb 0.97 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 1afr h PRO 109 CO -0.86 0.30 0.61 1.15 -0.21 0.00 0.00 178.00 179.00 1afr h THR 110 N 0.47 1.22 -0.10 -1.15 2.02 -1.79 -1.38 112.91 112.21 1afr h THR 110 Ca 0.63 -0.42 -0.16 0.00 0.77 0.00 0.00 66.41 67.23 1afr h THR 110 Cb 1.25 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1afr h THR 110 CO -0.52 0.22 -0.64 1.88 0.37 0.00 0.00 175.52 176.84 1afr h TYR 111 N 1.23 0.48 -0.15 3.16 0.05 -0.66 -0.39 116.97 120.70 1afr h TYR 111 Ca 0.34 -0.19 -0.15 0.00 0.05 0.00 0.00 58.73 58.78 1afr h TYR 111 Cb -0.11 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 1afr h TYR 111 CO -0.00 0.90 -0.55 0.37 -1.05 0.00 0.00 178.16 177.83 1afr h GLN 112 N 0.27 0.44 -0.36 4.88 4.15 -1.03 -2.87 115.11 120.58 1afr h GLN 112 Ca -0.01 -0.27 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 1afr h GLN 112 Cb 1.18 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.88 1afr h GLN 112 CO 0.11 0.87 0.14 1.15 -1.93 0.00 0.00 178.83 179.16 1afr h THR 113 N 0.34 1.19 -0.61 2.39 2.02 -0.89 -1.73 112.91 115.61 1afr h THR 113 Ca 0.01 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.60 1afr h THR 113 Cb 1.07 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 1afr h THR 113 CO 0.10 0.21 0.41 0.24 0.37 0.00 0.00 175.52 176.85 1afr h MET 114 N 0.43 0.77 -0.31 6.66 2.86 -0.97 -1.47 114.93 122.90 1afr h MET 114 Ca 0.12 -0.05 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 1afr h MET 114 Cb 0.20 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1afr h MET 114 CO -0.01 0.51 -0.44 -0.07 1.06 0.00 0.00 176.91 177.96 1afr h LEU 115 N 0.79 0.87 0.00 1.22 3.38 -1.27 -2.83 115.31 117.47 1afr h LEU 115 Ca 0.23 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1afr h LEU 115 Cb -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1afr h LEU 115 CO -0.06 1.19 0.00 0.59 0.09 0.00 0.00 178.44 180.25 1afr n ASN 116 N -4.03 0.00 0.04 -0.43 3.02 -0.62 -2.48 115.26 110.76 1afr n ASN 116 Ca -0.03 -1.09 0.11 0.00 -0.03 0.00 0.00 54.58 53.54 1afr n ASN 116 Cb 0.56 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.84 0.30 -1.94 3.41 -2.24 -0.78 -4.63 114.28 107.56 1afr n THR 117 Ca 0.14 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 1afr n THR 117 Cb 0.06 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 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 4.35 0.17 3.22 1.43 -1.03 -4.49 118.68 117.42 1afr s LEU 118 Ca -0.04 2.34 -0.23 0.00 -1.03 0.00 0.00 54.13 55.17 1afr s LEU 118 Cb 0.12 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.87 1afr s LEU 118 CO 0.85 -0.94 1.59 0.44 0.23 0.00 0.00 176.35 178.52 1afr h ASP 119 N 9.62 -1.12 1.14 2.29 3.32 -1.22 -0.93 116.42 129.53 1afr h ASP 119 Ca -0.42 0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.66 1afr h ASP 119 Cb 1.19 0.53 -0.02 0.00 0.22 0.00 0.00 39.33 41.25 1afr h ASP 119 CO 0.95 -0.32 -0.82 1.23 -1.72 0.00 0.00 179.24 178.56 1afr h GLY 120 N -0.24 0.00 0.19 2.75 0.00 -1.88 -3.38 103.07 100.52 1afr h GLY 120 Ca 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1afr h GLY 120 CO -0.57 0.00 -1.86 3.33 0.00 0.00 0.00 176.54 177.44 1afr n VAL 121 N -3.33 0.29 -1.18 4.60 0.24 -1.19 -4.61 118.33 113.16 1afr n VAL 121 Ca 0.01 -0.55 -0.37 0.00 -2.04 0.00 0.00 64.34 61.38 1afr n VAL 121 Cb 0.86 -0.13 0.03 0.00 -1.47 0.00 0.00 33.84 33.13 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 -2.40 0.07 -3.34 7.34 1.85 -0.36 -4.15 116.66 115.68 1afr n ARG 122 Ca -0.07 0.03 -0.43 0.00 -1.00 0.00 0.00 57.85 56.39 1afr n ARG 122 Cb 0.64 -1.21 -0.09 0.00 -1.05 0.00 0.00 32.46 30.76 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 -1.12 6.18 0.50 2.89 -1.08 -1.26 -4.77 116.67 118.01 1afr s ASP 123 Ca 0.54 -0.78 0.29 0.00 -0.52 0.00 0.00 52.55 52.08 1afr s ASP 123 Cb -0.37 -2.21 1.03 0.00 -1.46 0.00 0.00 42.92 39.90 1afr s ASP 123 CO 0.69 -0.59 1.86 -0.33 0.52 0.00 0.00 175.17 177.32 1afr h GLU 124 N 8.73 0.00 0.00 4.34 4.39 -1.95 -3.37 114.58 126.72 1afr h GLU 124 Ca -0.27 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1afr h GLU 124 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1afr h GLU 124 CO 0.80 0.04 -0.99 0.25 -1.16 0.00 0.00 179.01 177.96 1afr n THR 125 N -3.14 0.00 0.00 1.13 -2.24 -1.26 -5.02 114.28 103.76 1afr n THR 125 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1afr n THR 125 Cb 0.39 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 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 2.91 0.60 0.00 3.38 0.00 -1.26 -4.85 105.19 105.97 1afr n GLY 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.31 0.66 -1.53 4.61 0.00 -1.26 -5.10 120.51 116.58 1afr n ALA 127 Ca 0.00 -0.24 -0.49 0.00 0.00 0.00 0.00 53.44 52.71 1afr n ALA 127 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1afr n ALA 127 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1afr n SER 128 N 0.00 0.50 0.00 0.00 2.88 -1.26 -4.87 113.62 110.87 1afr n SER 128 Ca 0.00 1.15 0.01 0.00 -1.33 0.00 0.00 58.87 58.70 1afr n SER 128 Cb 0.41 -1.13 0.05 0.00 -0.75 0.00 0.00 64.21 62.80 1afr n SER 128 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1afr n PRO 129 N 1.30 0.95 -2.51 -1.46 -0.02 -1.26 -4.29 135.00 127.71 1afr n PRO 129 Ca 0.15 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.26 1afr n PRO 129 Cb 0.24 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 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 3.64 0.36 3.45 -4.23 -1.26 -4.87 115.64 110.73 1afr s THR 130 Ca 0.03 1.29 0.10 0.00 -1.18 0.00 0.00 61.69 61.93 1afr s THR 130 Cb 0.01 -3.69 0.33 0.00 1.34 0.00 0.00 72.50 70.49 1afr s THR 130 CO 0.02 0.05 1.87 0.28 -0.54 0.00 0.00 174.62 176.30 1afr h SER 131 N 2.61 0.62 -0.41 3.99 0.02 -1.90 0.99 113.55 119.46 1afr h SER 131 Ca -0.48 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.40 1afr h SER 131 Cb 1.22 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 1afr h SER 131 CO 0.63 0.31 -0.16 -0.50 -1.14 0.00 0.00 176.83 175.96 1afr h TRP 132 N 0.65 0.96 -0.34 3.45 4.06 -1.89 -1.79 115.95 121.06 1afr h TRP 132 Ca 0.44 -0.23 -0.11 0.00 2.06 0.00 0.00 58.89 61.06 1afr h TRP 132 Cb 0.75 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.68 1afr h TRP 132 CO -0.00 0.99 -0.20 0.00 -3.56 0.00 0.00 178.44 175.66 1afr h ALA 133 N 0.83 0.48 -0.96 1.49 0.00 -1.33 -1.60 119.26 118.18 1afr h ALA 133 Ca 0.10 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1afr h ALA 133 Cb 0.71 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1afr h ALA 133 CO 0.05 0.43 0.63 0.82 0.00 0.00 0.00 179.25 181.19 1afr h ILE 134 N 0.51 1.23 -0.05 0.00 2.04 -0.83 -0.95 117.51 119.45 1afr h ILE 134 Ca 0.07 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1afr h ILE 134 Cb 0.75 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1afr h ILE 134 CO 0.06 0.23 0.00 -0.25 0.00 0.00 0.00 178.15 178.20 1afr h TRP 135 N 1.28 0.10 -0.26 1.37 2.91 -1.09 -0.74 115.95 119.52 1afr h TRP 135 Ca 0.35 -0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.42 1afr h TRP 135 Cb -0.13 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 28.43 1afr h TRP 135 CO -0.00 0.35 -0.20 1.15 -1.03 0.00 0.00 178.44 178.72 1afr h THR 136 N -0.18 0.47 -0.23 2.65 2.02 -0.77 0.34 112.91 117.21 1afr h THR 136 Ca 0.02 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 1afr h THR 136 Cb 0.31 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1afr h THR 136 CO 0.00 0.00 0.01 0.03 0.37 0.00 0.00 175.52 175.93 1afr h ARG 137 N -0.18 0.40 -0.55 6.66 3.08 -1.17 -2.06 114.38 120.54 1afr h ARG 137 Ca 0.14 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1afr h ARG 137 Cb 0.40 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1afr h ARG 137 CO -0.37 0.57 -0.00 0.00 -1.07 0.00 0.00 179.97 179.10 1afr h ALA 138 N 0.81 0.95 -0.25 0.04 0.00 -0.87 0.49 119.26 120.43 1afr h ALA 138 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1afr h ALA 138 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1afr h ALA 138 CO 0.01 0.63 0.05 2.35 0.00 0.00 0.00 179.25 182.29 1afr h TRP 139 N 0.87 0.42 -0.49 0.00 7.01 -0.35 -1.77 115.95 121.66 1afr h TRP 139 Ca 0.16 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 1afr h TRP 139 Cb 0.52 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 1afr h TRP 139 CO 0.03 0.51 0.30 1.15 -2.79 0.00 0.00 178.44 177.64 1afr h THR 140 N 0.22 1.15 -0.68 2.65 2.02 -1.16 -1.11 112.91 116.00 1afr h THR 140 Ca 0.08 -0.32 0.10 0.00 0.77 0.00 0.00 66.41 67.04 1afr h THR 140 Cb 0.30 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 67.12 1afr h THR 140 CO 0.00 0.15 0.30 0.00 0.37 0.00 0.00 175.52 176.34 1afr h ALA 141 N 1.15 0.92 -0.52 6.16 0.00 -0.65 -0.94 119.26 125.38 1afr h ALA 141 Ca 0.18 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1afr h ALA 141 Cb -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1afr h ALA 141 CO -0.03 -0.13 -0.05 0.93 0.00 0.00 0.00 179.25 179.96 1afr h GLU 142 N 0.50 0.95 0.00 0.00 5.08 -0.87 -3.02 114.58 117.22 1afr h GLU 142 Ca 0.35 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1afr h GLU 142 Cb 0.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1afr h GLU 142 CO -0.31 0.99 -0.17 0.93 -1.00 0.00 0.00 179.01 179.46 1afr h GLU 143 N 0.82 0.00 -0.22 2.33 4.39 0.05 -2.91 114.58 119.05 1afr h GLU 143 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 1afr h GLU 143 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1afr h GLU 143 CO 0.04 0.17 0.09 -0.97 -1.16 0.00 0.00 179.01 177.17 1afr h ASN 144 N 0.00 0.27 0.65 1.42 -1.24 -1.12 -1.87 115.58 113.68 1afr h ASN 144 Ca -0.00 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.93 1afr h ASN 144 Cb 0.37 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1afr h ASN 144 CO 0.02 0.25 -0.30 0.03 -1.29 0.00 0.00 177.43 176.14 1afr h ARG 145 N 0.30 0.00 -0.37 6.67 3.08 -1.64 -2.82 114.38 119.60 1afr h ARG 145 Ca 0.08 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1afr h ARG 145 Cb 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1afr h ARG 145 CO -0.01 0.30 0.07 0.45 -1.07 0.00 0.00 179.97 179.72 1afr h HIS 146 N 0.00 0.65 -0.15 3.04 3.86 -1.48 -1.52 115.15 119.54 1afr h HIS 146 Ca -0.00 -0.08 -0.12 0.00 -1.16 0.00 0.00 60.37 59.01 1afr h HIS 146 Cb 0.71 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.00 1afr h HIS 146 CO 0.00 0.64 -0.35 0.78 0.86 0.00 0.00 177.93 179.86 1afr h GLY 147 N 0.46 0.56 0.65 2.45 0.00 -1.60 -2.85 103.07 102.74 1afr h GLY 147 Ca 0.12 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.79 1afr h GLY 147 CO 0.00 0.62 -0.07 -0.55 0.00 0.00 0.00 176.54 176.55 1afr h ASP 148 N 0.14 -0.22 -0.01 0.19 5.19 -1.43 0.18 116.42 120.46 1afr h ASP 148 Ca -0.00 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1afr h ASP 148 Cb 0.96 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 1afr h ASP 148 CO 0.08 -0.09 0.01 0.25 -3.12 0.00 0.00 179.24 176.37 1afr h LEU 149 N -0.05 0.02 -1.23 1.55 5.85 -1.36 -0.77 115.31 119.31 1afr h LEU 149 Ca 0.08 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1afr h LEU 149 Cb 0.17 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1afr h LEU 149 CO -0.17 0.07 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.66 1afr h LEU 150 N -0.04 0.18 0.39 2.25 3.38 -1.39 -1.84 115.31 118.25 1afr h LEU 150 Ca 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1afr h LEU 150 Cb 0.05 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1afr h LEU 150 CO -0.00 0.45 -0.19 -1.13 0.09 0.00 0.00 178.44 177.66 1afr h ASN 151 N 0.17 -0.45 -0.59 -0.43 -0.73 -0.27 -2.01 115.58 111.28 1afr h ASN 151 Ca 0.03 -0.13 -0.00 0.00 1.87 0.00 0.00 56.30 58.07 1afr h ASN 151 Cb 0.57 0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.24 1afr h ASN 151 CO 0.04 -0.08 0.36 0.11 -0.37 0.00 0.00 177.43 177.49 1afr h LYS 152 N -0.87 0.80 0.49 6.67 6.56 -1.13 -2.18 116.57 126.91 1afr h LYS 152 Ca -0.05 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.45 1afr h LYS 152 Cb 0.55 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 1afr h LYS 152 CO 0.09 0.55 -0.23 -0.92 -2.06 0.00 0.00 179.45 176.88 1afr h TYR 153 N 0.81 -0.61 -0.41 -1.35 3.20 -1.25 -1.97 116.97 115.39 1afr h TYR 153 Ca 0.22 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1afr h TYR 153 Cb -0.04 0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1afr h TYR 153 CO 0.00 -0.34 0.28 -0.07 -1.64 0.00 0.00 178.16 176.39 1afr h LEU 154 N -0.74 0.36 -0.02 2.82 3.38 -1.23 -1.63 115.31 118.25 1afr h LEU 154 Ca -0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1afr h LEU 154 Cb 0.54 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1afr h LEU 154 CO 0.11 0.25 0.01 0.22 0.09 0.00 0.00 178.44 179.12 1afr h TYR 155 N 0.42 0.04 0.00 1.13 3.20 -1.25 -3.14 116.97 117.38 1afr h TYR 155 Ca 0.17 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1afr h TYR 155 Cb 0.15 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1afr h TYR 155 CO -0.00 0.23 -0.45 -0.07 -1.64 0.00 0.00 178.16 176.22 1afr h LEU 156 N -0.16 0.00 -1.59 2.82 3.38 -0.91 -3.22 115.31 115.63 1afr h LEU 156 Ca 0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1afr h LEU 156 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1afr h LEU 156 CO -0.00 0.45 0.38 0.77 0.09 0.00 0.00 178.44 180.13 1afr h SER 157 N 0.00 0.43 0.00 -0.43 4.64 -1.25 -3.44 113.55 113.50 1afr h SER 157 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1afr h SER 157 Cb 0.82 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 1afr h SER 157 CO 0.06 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1afr n GLY 158 N -1.50 0.37 0.12 -0.77 0.00 -1.22 -4.79 105.19 97.41 1afr n GLY 158 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.66 0.34 -4.39 1.61 5.12 -1.26 -4.96 116.66 111.46 1afr n ARG 159 Ca 0.00 -0.25 -0.19 0.00 -1.93 0.00 0.00 57.85 55.48 1afr n ARG 159 Cb 0.15 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 29.85 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 -2.83 1.15 -0.67 1.55 -7.23 -1.26 -4.83 120.40 106.28 1afr s VAL 160 Ca 0.13 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.10 1afr s VAL 160 Cb 0.17 -2.54 0.14 0.00 0.56 0.00 0.00 36.38 34.71 1afr s VAL 160 CO 0.71 -0.18 0.70 -0.62 -0.31 0.00 0.00 175.10 175.40 1afr s ASP 161 N -3.39 6.37 0.47 4.85 -1.08 0.64 -4.92 116.67 119.60 1afr s ASP 161 Ca 0.32 -1.90 0.18 0.00 -0.52 0.00 0.00 52.55 50.63 1afr s ASP 161 Cb 0.07 -2.26 1.11 0.00 -1.46 0.00 0.00 42.92 40.38 1afr s ASP 161 CO 0.12 -0.91 2.01 0.24 0.52 0.00 0.00 175.17 177.16 1afr h MET 162 N 8.73 0.00 -0.61 4.34 2.86 -1.94 -2.32 114.93 125.99 1afr h MET 162 Ca -0.16 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 1afr h MET 162 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1afr h MET 162 CO 1.00 0.17 -0.01 -0.09 1.06 0.00 0.00 176.91 179.04 1afr h ARG 163 N 0.00 1.08 -0.20 1.72 2.43 -1.97 0.90 114.38 118.34 1afr h ARG 163 Ca -0.00 -0.35 -0.20 0.00 -0.81 0.00 0.00 59.98 58.62 1afr h ARG 163 Cb 0.32 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1afr h ARG 163 CO 0.02 1.06 -0.65 1.96 -1.51 0.00 0.00 179.97 180.85 1afr h GLN 164 N 0.98 0.75 -0.36 0.20 1.08 -1.80 -1.71 115.11 114.26 1afr h GLN 164 Ca 0.17 -0.54 -0.02 0.00 -1.45 0.00 0.00 58.65 56.81 1afr h GLN 164 Cb 0.58 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 1afr h GLN 164 CO 0.03 1.16 0.15 0.82 -0.95 0.00 0.00 178.83 180.05 1afr h ILE 165 N 0.55 1.18 -0.12 2.54 2.04 -1.25 -0.62 117.51 121.83 1afr h ILE 165 Ca -0.02 -0.55 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 1afr h ILE 165 Cb 1.26 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1afr h ILE 165 CO 0.13 0.20 -0.17 -0.33 0.00 0.00 0.00 178.15 177.98 1afr h GLU 166 N 0.44 0.19 -0.28 2.37 5.08 -0.74 -0.67 114.58 120.97 1afr h GLU 166 Ca 0.12 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.27 1afr h GLU 166 Cb 0.17 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 1afr h GLU 166 CO -0.01 0.37 -0.45 -0.22 -1.00 0.00 0.00 179.01 177.70 1afr h LYS 167 N 0.18 0.80 -0.49 2.33 3.64 -0.96 -2.17 116.57 119.90 1afr h LYS 167 Ca 0.04 -0.48 -0.04 0.00 -1.27 0.00 0.00 60.65 58.89 1afr h LYS 167 Cb 0.42 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1afr h LYS 167 CO 0.03 1.11 0.15 1.15 -2.27 0.00 0.00 179.45 179.62 1afr h THR 168 N 0.56 1.20 -0.42 1.00 2.02 -0.22 -2.01 112.91 115.04 1afr h THR 168 Ca 0.02 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 1afr h THR 168 Cb 1.05 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1afr h THR 168 CO 0.10 0.26 -0.08 0.40 0.37 0.00 0.00 175.52 176.57 1afr h ILE 169 N 0.72 1.27 -0.71 3.11 2.04 -0.99 -1.36 117.51 121.60 1afr h ILE 169 Ca 0.17 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.81 1afr h ILE 169 Cb 0.22 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 1afr h ILE 169 CO -0.01 0.40 0.30 -0.61 0.00 0.00 0.00 178.15 178.23 1afr h GLN 170 N 0.63 1.05 0.31 2.37 4.15 -0.95 -1.09 115.11 121.58 1afr h GLN 170 Ca 0.11 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1afr h GLN 170 Cb 0.61 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1afr h GLN 170 CO 0.04 0.85 -0.15 1.88 -1.93 0.00 0.00 178.83 179.52 1afr h TYR 171 N 1.01 -0.39 -0.24 3.99 0.05 -1.27 -1.92 116.97 118.21 1afr h TYR 171 Ca 0.24 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.07 1afr h TYR 171 Cb 0.18 0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.99 1afr h TYR 171 CO 0.01 -0.18 -0.17 1.25 -1.05 0.00 0.00 178.16 178.03 1afr h LEU 172 N -0.51 -0.55 -0.87 3.88 5.85 -0.98 0.18 115.31 122.31 1afr h LEU 172 Ca -0.04 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1afr h LEU 172 Cb 0.38 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1afr h LEU 172 CO 0.07 -0.21 0.55 0.40 -0.34 0.00 0.00 178.44 178.91 1afr h ILE 173 N -0.16 1.23 0.00 4.05 2.04 -1.21 0.09 117.51 123.55 1afr h ILE 173 Ca 0.13 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 1afr h ILE 173 Cb 0.36 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1afr h ILE 173 CO -0.33 0.23 -0.22 1.23 0.00 0.00 0.00 178.15 179.06 1afr h GLY 174 N 1.18 0.00 1.64 5.37 0.00 -0.41 -2.51 103.07 108.34 1afr h GLY 174 Ca 0.31 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.39 1afr h GLY 174 CO -0.06 0.00 -1.25 1.76 0.00 0.00 0.00 176.54 176.99 1afr h SER 175 N 0.00 0.15 0.00 0.19 0.02 0.21 -3.50 113.55 110.62 1afr h SER 175 Ca -0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1afr h SER 175 Cb 0.49 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1afr h SER 175 CO 0.03 1.15 0.00 0.61 -1.14 0.00 0.00 176.83 177.48 1afr n GLY 176 N 1.47 0.56 3.53 -3.77 0.00 -0.07 -4.93 105.19 101.99 1afr n GLY 176 Ca -0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 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 0.86 -0.30 1.61 0.00 -1.26 -4.87 119.30 115.34 1afr s MET 177 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 55.69 55.75 1afr s MET 177 Cb 0.00 0.40 0.09 0.00 0.00 0.00 0.00 34.83 35.32 1afr s MET 177 CO 0.00 -0.30 0.03 0.34 0.00 0.00 0.00 175.02 175.09 1afr s ASP 178 N -1.55 4.32 0.00 1.11 2.15 -1.26 -4.98 116.67 116.46 1afr s ASP 178 Ca -0.03 -1.74 0.19 0.00 0.43 0.00 0.00 52.55 51.39 1afr s ASP 178 Cb -0.00 -1.29 1.03 0.00 -0.30 0.00 0.00 42.92 42.35 1afr s ASP 178 CO 0.01 -0.35 1.57 -0.81 -0.17 0.00 0.00 175.17 175.42 1afr n PRO 179 N 4.53 0.40 -3.32 4.34 -0.04 -1.26 -4.89 135.00 134.76 1afr n PRO 179 Ca -0.02 0.07 -0.19 0.00 -0.04 0.00 0.00 63.50 63.32 1afr n PRO 179 Cb 0.42 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.17 -6.07 0.01 0.54 1.74 -1.26 -4.80 116.66 105.65 1afr n ARG 180 Ca 0.11 0.65 0.11 0.00 -0.77 0.00 0.00 57.85 57.95 1afr n ARG 180 Cb 0.12 -5.13 0.08 0.00 -1.02 0.00 0.00 32.46 26.51 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 -4.44 0.03 -4.12 0.55 -2.24 -1.26 -4.98 114.28 97.83 1afr n THR 181 Ca 0.00 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.40 1afr n THR 181 Cb 0.55 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.59 -3.82 -1.21 -0.78 1.02 -1.26 -1.06 120.64 111.93 1afr n GLU 182 Ca 0.04 0.44 -0.07 0.00 -0.02 0.00 0.00 57.16 57.55 1afr n GLU 182 Cb 0.35 -5.15 -0.03 0.00 -0.02 0.00 0.00 31.44 26.59 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 -2.74 -5.29 -4.52 1.62 4.13 -1.26 -1.06 115.26 106.14 1afr n ASN 183 Ca 0.03 0.18 -0.41 0.00 1.68 0.00 0.00 54.58 56.06 1afr n ASN 183 Cb 0.52 -3.44 -0.10 0.00 -1.54 0.00 0.00 39.78 35.22 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 -2.35 6.09 0.58 6.41 0.15 -0.22 -0.65 113.70 123.71 1afr s SER 184 Ca 0.00 -0.44 0.28 0.00 0.70 0.00 0.00 55.95 56.49 1afr s SER 184 Cb 0.00 -2.15 1.67 0.00 -1.71 0.00 0.00 66.02 63.83 1afr s SER 184 CO 0.00 -0.28 2.14 -0.65 1.20 0.00 0.00 173.24 175.65 1afr h PRO 185 N 8.50 0.00 0.00 5.44 0.11 -1.91 0.45 132.00 144.59 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 -0.00 1.88 -0.21 0.00 0.00 178.00 180.32 1afr h TYR 186 N 0.00 -0.00 -0.12 0.65 -1.99 -1.92 -2.11 116.97 111.47 1afr h TYR 186 Ca 0.07 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.75 1afr h TYR 186 Cb 0.37 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 1afr h TYR 186 CO 0.00 0.41 -0.11 -0.07 -0.00 0.00 0.00 178.16 178.39 1afr h LEU 187 N -0.41 0.31 -0.52 3.88 3.38 -1.41 -3.15 115.31 117.39 1afr h LEU 187 Ca -0.00 -0.46 0.09 0.00 0.09 0.00 0.00 57.88 57.60 1afr h LEU 187 Cb 0.41 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1afr h LEU 187 CO 0.00 0.71 0.09 1.23 0.09 0.00 0.00 178.44 180.56 1afr h GLY 188 N -0.09 0.62 2.00 0.83 0.00 -0.23 -0.61 103.07 105.59 1afr h GLY 188 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1afr h GLY 188 CO 0.03 -0.09 0.00 0.74 0.00 0.00 0.00 176.54 177.22 1afr h PHE 189 N 0.22 0.00 0.05 5.60 0.04 -1.46 -1.39 116.94 120.00 1afr h PHE 189 Ca 0.26 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.93 1afr h PHE 189 Cb 0.37 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.53 1afr h PHE 189 CO -0.25 0.00 -0.44 0.82 -0.60 0.00 0.00 178.31 177.84 1afr h ILE 190 N 0.00 1.56 0.38 -0.55 1.08 -1.21 -2.89 117.51 115.88 1afr h ILE 190 Ca 0.00 -2.24 -0.00 0.00 -0.39 0.00 0.00 64.86 62.23 1afr h ILE 190 Cb 0.58 3.00 -0.03 0.00 -3.07 0.00 0.00 36.82 37.30 1afr h ILE 190 CO 0.00 0.62 -0.49 0.22 -0.69 0.00 0.00 178.15 177.81 1afr h TYR 191 N -0.49 -1.38 -0.84 1.37 3.20 -0.87 -2.10 116.97 115.87 1afr h TYR 191 Ca -0.07 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.89 1afr h TYR 191 Cb 1.26 0.55 -0.05 0.00 1.54 0.00 0.00 36.73 40.03 1afr h TYR 191 CO 0.20 -0.63 0.54 1.79 -1.64 0.00 0.00 178.16 178.42 1afr h THR 192 N -0.91 1.03 -0.70 1.81 1.35 -1.39 -0.05 112.91 114.06 1afr h THR 192 Ca -0.04 -0.31 -0.03 0.00 -0.55 0.00 0.00 66.41 65.48 1afr h THR 192 Cb 0.82 0.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.27 1afr h THR 192 CO -0.13 0.16 0.30 0.28 -0.25 0.00 0.00 175.52 175.88 1afr h SER 193 N 0.89 0.92 0.54 5.36 0.02 -1.28 -0.81 113.55 119.20 1afr h SER 193 Ca 0.37 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1afr h SER 193 Cb 0.27 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.58 1afr h SER 193 CO -0.14 0.81 -0.26 0.15 -1.14 0.00 0.00 176.83 176.25 1afr h PHE 194 N 1.00 -0.67 -0.68 3.45 3.04 -0.38 -3.04 116.94 119.67 1afr h PHE 194 Ca 0.24 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.30 1afr h PHE 194 Cb 0.16 0.22 -0.09 0.00 2.56 0.00 0.00 35.95 38.80 1afr h PHE 194 CO 0.01 -0.36 0.21 1.96 -2.02 0.00 0.00 178.31 178.11 1afr h GLN 195 N -1.11 0.34 -0.76 1.11 1.08 -1.09 -0.17 115.11 114.50 1afr h GLN 195 Ca -0.07 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.17 1afr h GLN 195 Cb 0.61 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.90 1afr h GLN 195 CO 0.12 0.23 0.45 0.93 -0.95 0.00 0.00 178.83 179.61 1afr h GLU 196 N 0.35 0.79 -0.08 1.46 4.39 -1.21 0.11 114.58 120.39 1afr h GLU 196 Ca 0.36 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.89 1afr h GLU 196 Cb 0.54 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1afr h GLU 196 CO -0.40 0.52 -0.51 -0.09 -1.16 0.00 0.00 179.01 177.37 1afr h ARG 197 N 0.81 0.21 -0.05 2.33 2.43 -1.18 -0.79 114.38 118.14 1afr h ARG 197 Ca 0.34 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1afr h ARG 197 Cb 0.21 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1afr h ARG 197 CO -0.19 0.67 0.02 0.00 -1.51 0.00 0.00 179.97 178.97 1afr h ALA 198 N 1.31 0.07 -0.41 2.80 0.00 0.80 -1.56 119.26 122.26 1afr h ALA 198 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1afr h ALA 198 Cb 0.96 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1afr h ALA 198 CO 0.08 -0.36 -0.15 1.79 0.00 0.00 0.00 179.25 180.61 1afr h THR 199 N -0.05 1.26 -0.88 0.00 1.35 -0.76 -1.06 112.91 112.76 1afr h THR 199 Ca 0.02 -1.22 0.02 0.00 -0.55 0.00 0.00 66.41 64.68 1afr h THR 199 Cb 0.14 1.11 -0.05 0.00 -1.73 0.00 0.00 68.15 67.62 1afr h THR 199 CO -0.00 0.41 0.58 0.15 -0.25 0.00 0.00 175.52 176.41 1afr h PHE 200 N 0.68 1.08 0.29 4.73 3.57 -0.95 0.44 116.94 126.78 1afr h PHE 200 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1afr h PHE 200 Cb 0.63 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1afr h PHE 200 CO 0.03 0.65 -0.14 0.82 -2.23 0.00 0.00 178.31 177.44 1afr h ILE 201 N 1.13 0.52 -0.24 1.41 2.04 -0.75 -1.18 117.51 120.45 1afr h ILE 201 Ca 0.34 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.43 1afr h ILE 201 Cb -0.05 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 1afr h ILE 201 CO -0.09 0.12 -0.29 0.28 0.00 0.00 0.00 178.15 178.18 1afr h SER 202 N -0.95 -0.91 0.01 1.72 0.02 -1.10 0.22 113.55 112.55 1afr h SER 202 Ca -0.04 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1afr h SER 202 Cb 0.50 0.41 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 1afr h SER 202 CO 0.07 -0.31 -0.10 0.45 -1.14 0.00 0.00 176.83 175.79 1afr h HIS 203 N -0.30 0.22 -0.10 3.45 3.86 -1.01 -1.33 115.15 119.94 1afr h HIS 203 Ca 0.13 -0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.13 1afr h HIS 203 Cb 0.51 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 1afr h HIS 203 CO -0.43 0.32 -0.72 0.78 0.86 0.00 0.00 177.93 178.74 1afr h GLY 204 N 0.66 0.54 0.81 2.45 0.00 0.06 -2.33 103.07 105.26 1afr h GLY 204 Ca 0.04 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.52 1afr h GLY 204 CO 0.02 0.66 -0.36 3.43 0.00 0.00 0.00 176.54 180.29 1afr h ASN 205 N 0.34 0.53 -0.65 0.19 2.35 -0.23 -1.53 115.58 116.58 1afr h ASN 205 Ca -0.03 -0.59 -0.00 0.00 -0.55 0.00 0.00 56.30 55.13 1afr h ASN 205 Cb 1.30 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 1afr h ASN 205 CO 0.13 1.03 0.41 0.71 -1.65 0.00 0.00 177.43 178.05 1afr h THR 206 N 0.06 1.18 0.09 2.81 1.35 -1.30 0.38 112.91 117.47 1afr h THR 206 Ca -0.01 -0.38 -0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1afr h THR 206 Cb 0.97 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1afr h THR 206 CO 0.08 0.18 -0.04 0.00 -0.25 0.00 0.00 175.52 175.49 1afr h ALA 207 N 1.55 -0.12 -0.68 6.62 0.00 -1.31 0.31 119.26 125.64 1afr h ALA 207 Ca 0.24 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1afr h ALA 207 Cb -0.06 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1afr h ALA 207 CO -0.05 -0.52 0.43 -0.09 0.00 0.00 0.00 179.25 179.02 1afr h ARG 208 N -0.20 0.84 -0.18 0.00 1.12 -0.41 -2.10 114.38 113.44 1afr h ARG 208 Ca -0.01 -0.05 -0.13 0.00 -1.11 0.00 0.00 59.98 58.68 1afr h ARG 208 Cb 0.17 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 29.94 1afr h ARG 208 CO 0.02 0.56 -0.38 1.96 -3.11 0.00 0.00 179.97 179.02 1afr h GLN 209 N 0.87 0.58 -0.72 0.20 4.20 -0.77 -3.09 115.11 116.38 1afr h GLN 209 Ca 0.26 -0.38 0.13 0.00 0.06 0.00 0.00 58.65 58.73 1afr h GLN 209 Cb -0.03 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 1afr h GLN 209 CO -0.08 0.99 0.48 0.00 -0.67 0.00 0.00 178.83 179.55 1afr h ALA 210 N 0.58 2.06 -0.32 3.87 0.00 -0.19 0.47 119.26 125.74 1afr h ALA 210 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1afr h ALA 210 Cb 0.98 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1afr h ALA 210 CO 0.08 -0.25 -0.23 -0.22 0.00 0.00 0.00 179.25 178.64 1afr h LYS 211 N 0.44 0.61 0.00 0.00 3.64 -1.31 -1.73 116.57 118.22 1afr h LYS 211 Ca 0.35 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.33 1afr h LYS 211 Cb 0.75 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1afr h LYS 211 CO -0.11 0.80 -0.79 1.05 -2.27 0.00 0.00 179.45 178.12 1afr h GLU 212 N 0.54 0.00 0.00 1.90 4.11 -0.86 -2.86 114.58 117.41 1afr h GLU 212 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.51 1afr h GLU 212 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1afr h GLU 212 CO 0.05 0.79 0.00 0.72 0.07 0.00 0.00 179.01 180.64 1afr n HIS 213 N -3.52 0.00 -0.40 2.06 8.25 -0.71 -4.85 115.22 116.05 1afr n HIS 213 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1afr n HIS 213 Cb 0.78 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.89 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 0.40 0.80 3.32 -1.41 0.00 -1.08 -4.78 105.19 102.44 1afr n GLY 214 Ca 0.06 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.99 6.59 0.29 1.61 -1.08 -0.66 -4.90 116.67 115.53 1afr s ASP 215 Ca 0.00 -2.52 0.12 0.00 -0.52 0.00 0.00 52.55 49.63 1afr s ASP 215 Cb 0.00 -2.19 0.41 0.00 -1.46 0.00 0.00 42.92 39.67 1afr s ASP 215 CO 0.00 -0.62 1.62 0.16 0.52 0.00 0.00 175.17 176.86 1afr h ILE 216 N 5.02 1.30 -0.24 4.11 3.07 -1.85 -2.50 117.51 126.43 1afr h ILE 216 Ca 0.02 -2.03 -0.14 0.00 1.55 0.00 0.00 64.86 64.26 1afr h ILE 216 Cb 1.05 2.13 -0.01 0.00 -0.27 0.00 0.00 36.82 39.72 1afr h ILE 216 CO 0.80 0.56 -0.44 0.11 -1.05 0.00 0.00 178.15 178.13 1afr h LYS 217 N 0.00 0.60 -0.15 0.16 1.57 -1.95 -0.08 116.57 116.72 1afr h LYS 217 Ca -0.01 -0.32 -0.12 0.00 -1.87 0.00 0.00 60.65 58.33 1afr h LYS 217 Cb 1.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1afr h LYS 217 CO 0.07 0.92 -0.42 1.25 -0.57 0.00 0.00 179.45 180.70 1afr h LEU 218 N 0.48 0.37 -0.58 2.94 5.85 -1.91 -1.48 115.31 120.98 1afr h LEU 218 Ca 0.03 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1afr h LEU 218 Cb 0.97 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1afr h LEU 218 CO 0.09 0.75 0.13 0.00 -0.34 0.00 0.00 178.44 179.07 1afr h ALA 219 N 1.27 0.77 -0.45 1.25 0.00 -1.13 -1.23 119.26 119.73 1afr h ALA 219 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1afr h ALA 219 Cb 0.87 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1afr h ALA 219 CO 0.07 0.48 0.19 1.96 0.00 0.00 0.00 179.25 181.95 1afr h GLN 220 N 0.84 0.66 0.37 0.00 4.20 -0.63 -0.68 115.11 119.86 1afr h GLN 220 Ca 0.18 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 1afr h GLN 220 Cb 0.36 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1afr h GLN 220 CO 0.00 0.59 -0.42 0.82 -0.67 0.00 0.00 178.83 179.15 1afr h ILE 221 N 0.58 0.15 -0.27 2.54 2.04 -0.81 -0.09 117.51 121.64 1afr h ILE 221 Ca 0.15 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 1afr h ILE 221 Cb 0.17 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1afr h ILE 221 CO -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.03 1afr h GLY 223 N 0.87 0.89 1.39 0.00 0.00 -0.88 -1.12 103.07 104.22 1afr h GLY 223 Ca 0.08 -0.76 -0.07 0.00 0.00 0.00 0.00 47.33 46.59 1afr h GLY 223 CO 0.02 0.69 -0.00 -0.84 0.00 0.00 0.00 176.54 176.41 1afr h THR 224 N 0.64 1.24 -0.31 4.70 2.02 -0.85 -0.62 112.91 119.73 1afr h THR 224 Ca 0.10 -0.98 -0.13 0.00 0.77 0.00 0.00 66.41 66.17 1afr h THR 224 Cb 0.67 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1afr h THR 224 CO 0.05 0.34 -0.33 0.40 0.37 0.00 0.00 175.52 176.35 1afr h ILE 225 N 0.70 1.29 -0.45 3.11 2.04 -1.35 -3.11 117.51 119.75 1afr h ILE 225 Ca 0.14 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.51 1afr h ILE 225 Cb 0.44 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1afr h ILE 225 CO 0.02 0.49 0.28 0.00 0.00 0.00 0.00 178.15 178.94 1afr h ALA 226 N 0.72 0.57 -0.99 1.87 0.00 -0.76 -2.23 119.26 118.44 1afr h ALA 226 Ca 0.05 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1afr h ALA 226 Cb 0.91 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1afr h ALA 226 CO 0.08 -0.01 0.62 0.00 0.00 0.00 0.00 179.25 179.94 1afr h ALA 227 N 1.18 1.68 -0.33 0.00 0.00 -1.08 0.22 119.26 120.93 1afr h ALA 227 Ca 0.17 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1afr h ALA 227 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1afr h ALA 227 CO -0.06 -0.01 -0.21 -0.44 0.00 0.00 0.00 179.25 178.53 1afr h ASP 228 N 0.80 0.64 -0.71 0.00 5.19 -1.34 -3.01 116.42 117.98 1afr h ASP 228 Ca 0.54 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.71 1afr h ASP 228 Cb 0.80 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.10 1afr h ASP 228 CO -0.32 0.85 0.34 -0.33 -3.12 0.00 0.00 179.24 176.66 1afr h GLU 229 N 0.56 1.03 -0.68 3.56 4.39 -0.29 -2.64 114.58 120.51 1afr h GLU 229 Ca 0.08 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1afr h GLU 229 Cb 0.68 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1afr h GLU 229 CO 0.05 0.81 0.43 -0.22 -1.16 0.00 0.00 179.01 178.91 1afr h LYS 230 N 1.00 0.91 -0.72 2.33 3.64 -1.24 0.35 116.57 122.84 1afr h LYS 230 Ca 0.25 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1afr h LYS 230 Cb 0.12 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 1afr h LYS 230 CO -0.03 0.63 0.34 0.00 -2.27 0.00 0.00 179.45 178.12 1afr h ARG 231 N 0.92 1.03 -0.58 1.90 3.08 -1.50 0.88 114.38 120.11 1afr h ARG 231 Ca 0.25 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1afr h ARG 231 Cb -0.06 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.78 1afr h ARG 231 CO -0.05 0.81 0.11 0.45 -1.07 0.00 0.00 179.97 180.22 1afr h HIS 232 N 1.00 0.97 0.07 3.04 3.86 -1.05 -1.40 115.15 121.64 1afr h HIS 232 Ca 0.25 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1afr h HIS 232 Cb 0.12 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.31 1afr h HIS 232 CO 0.01 0.83 -0.03 1.49 0.86 0.00 0.00 177.93 181.08 1afr h GLU 233 N 0.88 -0.09 -0.43 2.45 4.81 -0.15 -1.94 114.58 120.11 1afr h GLU 233 Ca 0.18 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.50 1afr h GLU 233 Cb 0.37 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1afr h GLU 233 CO 0.01 0.06 -0.03 1.15 -0.73 0.00 0.00 179.01 179.47 1afr h THR 234 N -0.23 0.64 -0.58 0.32 2.02 -0.56 -0.06 112.91 114.47 1afr h THR 234 Ca -0.01 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 1afr h THR 234 Cb 0.19 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1afr h THR 234 CO 0.02 0.01 0.07 0.00 0.37 0.00 0.00 175.52 175.99 1afr h ALA 235 N 1.39 1.04 -0.18 6.16 0.00 -1.17 -2.73 119.26 123.78 1afr h ALA 235 Ca 0.21 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1afr h ALA 235 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1afr h ALA 235 CO -0.38 0.61 -0.41 1.88 0.00 0.00 0.00 179.25 180.95 1afr h TYR 236 N 0.89 0.75 -0.44 0.00 0.05 -0.67 -2.93 116.97 114.61 1afr h TYR 236 Ca 0.18 -0.28 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 1afr h TYR 236 Cb 0.42 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1afr h TYR 236 CO 0.03 1.04 0.24 1.79 -1.05 0.00 0.00 178.16 180.20 1afr h THR 237 N 0.24 1.14 -0.50 -2.88 1.35 -1.01 -1.97 112.91 109.28 1afr h THR 237 Ca -0.00 -0.35 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 1afr h THR 237 Cb 1.01 0.55 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1afr h THR 237 CO 0.09 0.15 0.29 0.11 -0.25 0.00 0.00 175.52 175.91 1afr h LYS 238 N 0.61 0.68 -0.74 4.72 1.79 -1.43 0.99 116.57 123.19 1afr h LYS 238 Ca 0.16 -0.07 0.01 0.00 -2.18 0.00 0.00 60.65 58.57 1afr h LYS 238 Cb 0.02 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 1afr h LYS 238 CO -0.03 0.52 0.49 0.82 -1.08 0.00 0.00 179.45 180.17 1afr h ILE 239 N 0.66 1.18 -0.03 1.86 2.04 -1.18 -1.52 117.51 120.53 1afr h ILE 239 Ca 0.18 -0.34 -0.20 0.00 1.00 0.00 0.00 64.86 65.50 1afr h ILE 239 Cb 0.02 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.19 1afr h ILE 239 CO -0.03 0.18 -0.83 0.58 0.00 0.00 0.00 178.15 178.05 1afr h VAL 240 N 0.99 1.42 -0.94 1.67 2.07 -1.12 -2.83 116.25 117.51 1afr h VAL 240 Ca 0.27 -2.36 0.04 0.00 0.82 0.00 0.00 66.70 65.48 1afr h VAL 240 Cb -0.10 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.91 1afr h VAL 240 CO -0.06 0.70 0.61 -0.08 0.02 0.00 0.00 177.57 178.76 1afr h GLU 241 N 0.21 1.13 0.00 1.57 4.81 0.17 0.22 114.58 122.69 1afr h GLU 241 Ca -0.05 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 1afr h GLU 241 Cb 1.43 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 1afr h GLU 241 CO 0.14 0.75 -0.49 -0.22 -0.73 0.00 0.00 179.01 178.45 1afr h LYS 242 N 1.16 0.00 -0.13 1.92 1.63 -1.37 -3.05 116.57 116.73 1afr h LYS 242 Ca 0.39 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 60.02 1afr h LYS 242 Cb 0.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.67 1afr h LYS 242 CO -0.14 0.49 -0.60 -0.07 -3.45 0.00 0.00 179.45 175.68 1afr h LEU 243 N 0.00 0.50 -0.63 5.20 3.38 -0.76 -1.41 115.31 121.58 1afr h LEU 243 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1afr h LEU 243 Cb 0.98 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1afr h LEU 243 CO 0.06 0.98 0.00 -0.26 0.09 0.00 0.00 178.44 179.32 1afr h PHE 244 N 0.33 0.00 0.10 1.13 0.04 -1.07 -0.75 116.94 116.72 1afr h PHE 244 Ca -0.00 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.55 1afr h PHE 244 Cb 1.14 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.29 1afr h PHE 244 CO 0.04 0.00 -1.07 1.49 -0.60 0.00 0.00 178.31 178.17 1afr h GLU 245 N 0.00 0.22 0.00 1.51 4.81 -1.33 -2.48 114.58 117.32 1afr h GLU 245 Ca 0.00 -0.37 -0.19 0.00 -0.13 0.00 0.00 59.36 58.67 1afr h GLU 245 Cb 0.54 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1afr h GLU 245 CO 0.00 1.18 -0.91 0.82 -0.73 0.00 0.00 179.01 179.37 1afr h ILE 246 N -0.45 1.64 -1.05 2.32 2.04 -1.21 -3.41 117.51 117.39 1afr h ILE 246 Ca -0.23 -3.06 -0.27 0.00 1.00 0.00 0.00 64.86 62.30 1afr h ILE 246 Cb 1.61 2.66 -0.21 0.00 -0.74 0.00 0.00 36.82 40.14 1afr h ILE 246 CO 0.06 0.88 -0.62 -0.67 0.00 0.00 0.00 178.15 177.80 1afr n ASP 247 N -3.48 -2.57 -0.14 1.72 2.03 -0.30 -5.01 116.55 108.80 1afr n ASP 247 Ca -0.01 -2.91 -0.04 0.00 0.52 0.00 0.00 54.79 52.36 1afr n ASP 247 Cb 0.86 1.22 0.05 0.00 -0.72 0.00 0.00 41.12 42.53 1afr n ASP 247 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1afr h PRO 248 N 4.78 0.20 0.27 -0.67 0.11 -1.57 -2.43 132.00 132.69 1afr h PRO 248 Ca 0.04 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1afr h PRO 248 Cb 1.04 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 1afr h PRO 248 CO 0.18 0.13 -0.47 0.22 -0.21 0.00 0.00 178.00 177.85 1afr h ASP 249 N 0.20 -1.35 -0.69 -2.05 3.58 -1.90 0.67 116.42 114.88 1afr h ASP 249 Ca 0.22 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1afr h ASP 249 Cb 0.29 0.48 -0.03 0.00 1.72 0.00 0.00 39.33 41.78 1afr h ASP 249 CO -0.30 -0.55 0.41 1.23 -2.88 0.00 0.00 179.24 177.15 1afr h GLY 250 N -0.79 1.01 2.00 -0.78 0.00 -1.94 -0.53 103.07 102.04 1afr h GLY 250 Ca -0.03 -0.42 -0.11 0.00 0.00 0.00 0.00 47.33 46.77 1afr h GLY 250 CO -0.16 0.41 -0.54 -0.84 0.00 0.00 0.00 176.54 175.41 1afr h THR 251 N 0.97 1.28 -0.16 4.70 2.02 -1.23 -0.67 112.91 119.81 1afr h THR 251 Ca 0.25 -1.90 -0.12 0.00 0.77 0.00 0.00 66.41 65.41 1afr h THR 251 Cb -0.03 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1afr h THR 251 CO -0.05 0.53 -0.36 0.58 0.37 0.00 0.00 175.52 176.59 1afr h VAL 252 N 0.00 1.35 -0.36 3.16 2.07 -0.16 -1.14 116.25 121.17 1afr h VAL 252 Ca -0.01 -1.61 0.04 0.00 0.82 0.00 0.00 66.70 65.94 1afr h VAL 252 Cb 1.01 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 1afr h VAL 252 CO 0.07 0.49 0.13 0.25 0.02 0.00 0.00 177.57 178.53 1afr h LEU 253 N 0.17 0.15 -0.13 2.57 5.85 -0.90 0.39 115.31 123.42 1afr h LEU 253 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1afr h LEU 253 Cb 0.96 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1afr h LEU 253 CO 0.08 0.12 0.08 0.00 -0.34 0.00 0.00 178.44 178.39 1afr h ALA 254 N 1.23 0.16 -0.99 1.25 0.00 -1.08 0.32 119.26 120.14 1afr h ALA 254 Ca 0.16 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1afr h ALA 254 Cb 0.13 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 1afr h ALA 254 CO -0.16 -0.34 0.63 0.35 0.00 0.00 0.00 179.25 179.73 1afr h PHE 255 N 0.16 1.14 -0.27 0.00 3.57 -0.65 -1.22 116.94 119.67 1afr h PHE 255 Ca 0.05 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.39 1afr h PHE 255 Cb 0.00 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.38 1afr h PHE 255 CO -0.06 0.49 -0.55 0.00 -2.23 0.00 0.00 178.31 175.96 1afr h ALA 256 N 1.51 0.43 -0.47 2.41 0.00 -0.16 -2.94 119.26 120.04 1afr h ALA 256 Ca 0.47 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1afr h ALA 256 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1afr h ALA 256 CO -0.24 0.65 0.26 0.22 0.00 0.00 0.00 179.25 180.14 1afr h ASP 257 N 0.62 0.40 -0.67 0.00 3.58 0.70 -1.48 116.42 119.57 1afr h ASP 257 Ca 0.01 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1afr h ASP 257 Cb 1.16 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 1afr h ASP 257 CO 0.12 0.29 0.38 0.24 -2.88 0.00 0.00 179.24 177.39 1afr h MET 258 N 0.52 0.94 -0.53 0.28 2.86 -1.27 -1.95 114.93 115.79 1afr h MET 258 Ca 0.19 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1afr h MET 258 Cb 0.05 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1afr h MET 258 CO -0.11 0.68 -0.05 0.52 1.06 0.00 0.00 176.91 179.01 1afr h MET 259 N 0.95 0.96 -0.17 1.72 2.86 -1.12 0.67 114.93 120.80 1afr h MET 259 Ca 0.24 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1afr h MET 259 Cb 0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1afr h MET 259 CO -0.04 1.00 0.06 0.00 1.06 0.00 0.00 176.91 178.99 1afr h ARG 260 N 0.83 0.26 -0.85 1.72 3.08 -1.04 -2.76 114.38 115.62 1afr h ARG 260 Ca 0.14 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1afr h ARG 260 Cb 0.59 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.56 1afr h ARG 260 CO 0.04 0.35 0.45 0.87 -1.07 0.00 0.00 179.97 180.61 1afr h LYS 261 N 0.11 1.18 0.00 0.04 1.57 -1.15 -3.49 116.57 114.84 1afr h LYS 261 Ca 0.06 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1afr h LYS 261 Cb 0.19 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1afr h LYS 261 CO -0.00 0.88 0.00 1.63 -0.57 0.00 0.00 179.45 181.38 1afr n LYS 262 N -4.33 0.00 -2.51 3.15 5.02 0.23 -4.89 118.16 114.83 1afr n LYS 262 Ca 0.09 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 1afr n LYS 262 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 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 -1.86 3.90 -0.01 -0.18 -1.09 -1.25 -4.89 121.20 115.81 1afr s ILE 263 Ca 0.00 0.75 -0.24 0.00 -2.23 0.00 0.00 60.65 58.94 1afr s ILE 263 Cb 0.00 -4.66 -0.05 0.00 -1.58 0.00 0.00 42.46 36.17 1afr s ILE 263 CO 0.00 -1.36 0.71 -0.94 -1.23 0.00 0.00 174.94 172.12 1afr s SER 264 N 3.56 7.08 0.37 3.58 1.04 -1.26 -5.04 113.70 123.03 1afr s SER 264 Ca 0.45 1.30 -0.27 0.00 0.48 0.00 0.00 55.95 57.90 1afr s SER 264 Cb -0.09 -2.43 -0.09 0.00 0.10 0.00 0.00 66.02 63.51 1afr s SER 264 CO 0.24 -0.03 1.25 -0.04 0.98 0.00 0.00 173.24 175.64 1afr s MET 265 N 0.28 4.19 0.38 4.02 1.00 -1.26 -4.93 119.30 122.98 1afr s MET 265 Ca 0.37 2.05 0.08 0.00 0.00 0.00 0.00 55.69 58.19 1afr s MET 265 Cb -0.19 -2.89 0.82 0.00 0.00 0.00 0.00 34.83 32.57 1afr s MET 265 CO 0.20 -0.27 1.95 -1.00 0.00 0.00 0.00 175.02 175.91 1afr h PRO 266 N 3.02 0.65 -0.96 2.03 0.13 -1.99 -2.55 132.00 132.32 1afr h PRO 266 Ca -0.49 -0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 64.27 1afr h PRO 266 Cb 1.23 -0.15 -0.20 0.00 0.13 0.00 0.00 31.00 32.02 1afr h PRO 266 CO 0.64 0.43 0.42 0.00 -0.23 0.00 0.00 178.00 179.26 1afr n ALA 267 N -2.46 4.61 0.72 -0.56 0.00 -1.26 -4.46 120.51 117.09 1afr n ALA 267 Ca 0.11 -2.02 0.11 0.00 0.00 0.00 0.00 53.44 51.64 1afr n ALA 267 Cb 0.29 -1.30 0.47 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 -0.56 0.20 -0.69 0.00 1.44 -0.96 -2.60 115.22 112.04 1afr n HIS 268 Ca 0.41 0.07 0.06 0.00 -2.01 0.00 0.00 57.72 56.25 1afr n HIS 268 Cb 1.31 -0.61 0.36 0.00 0.12 0.00 0.00 29.99 31.17 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 -1.67 5.24 -4.67 2.39 4.77 -1.26 -4.76 117.00 117.04 1afr n LEU 269 Ca 0.05 -2.66 -0.48 0.00 -0.03 0.00 0.00 56.01 52.89 1afr n LEU 269 Cb 0.28 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 1afr n LEU 269 CO 0.22 0.59 1.31 0.80 -1.33 0.00 0.00 177.39 178.98 1afr n MET 270 N 0.57 2.08 -3.73 3.23 1.56 -1.07 -4.24 117.12 115.52 1afr n MET 270 Ca 0.25 0.76 -0.12 0.00 -0.27 0.00 0.00 57.70 58.31 1afr n MET 270 Cb 1.10 -2.55 -0.12 0.00 2.15 0.00 0.00 33.22 33.80 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 2.30 -0.39 -0.25 1.12 5.04 -1.26 -3.98 117.35 119.94 1afr s TYR 271 Ca 0.86 0.90 0.16 0.00 -2.44 0.00 0.00 57.07 56.54 1afr s TYR 271 Cb -0.71 0.11 0.54 0.00 0.35 0.00 0.00 41.96 42.25 1afr s TYR 271 CO 0.45 -0.24 1.44 -0.40 -1.34 0.00 0.00 175.55 175.46 1afr n ASP 272 N 3.94 3.97 0.00 4.32 5.75 -1.26 -4.29 116.55 128.97 1afr n ASP 272 Ca -0.22 -2.94 0.00 0.00 -0.01 0.00 0.00 54.79 51.62 1afr n ASP 272 Cb 0.55 -0.53 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 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 -0.34 2.13 0.00 6.12 0.00 -1.26 -4.75 105.19 107.09 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 -3.90 1.61 1.85 -1.26 -4.99 116.66 107.97 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 -0.26 -0.16 0.00 -1.05 0.00 0.00 32.46 30.99 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 3.51 0.41 2.89 -1.08 -1.26 -4.99 116.67 116.16 1afr s ASP 275 Ca 0.00 -1.02 0.21 0.00 -0.52 0.00 0.00 52.55 51.22 1afr s ASP 275 Cb 0.00 -1.04 0.85 0.00 -1.46 0.00 0.00 42.92 41.27 1afr s ASP 275 CO 0.00 -0.23 1.81 0.44 0.52 0.00 0.00 175.17 177.71 1afr h ASP 276 N 8.03 0.00 -1.31 -0.34 3.32 -1.95 -3.07 116.42 121.10 1afr h ASP 276 Ca -0.19 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.23 1afr h ASP 276 Cb 1.09 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.26 1afr h ASP 276 CO 0.40 0.29 -0.18 0.59 -1.72 0.00 0.00 179.24 178.63 1afr n ASN 277 N -3.53 5.75 -0.15 6.45 4.13 -1.26 -4.80 115.26 121.85 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 0.44 -0.62 0.01 0.00 -1.54 0.00 0.00 39.78 38.08 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 2.46 0.52 -0.52 3.41 5.85 -1.68 -1.55 115.31 123.80 1afr h LEU 278 Ca 0.42 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 1afr h LEU 278 Cb 0.91 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 1afr h LEU 278 CO 1.05 0.39 0.23 0.15 -0.34 0.00 0.00 178.44 179.91 1afr h PHE 279 N 0.61 0.77 -0.61 1.25 3.57 -1.86 -0.08 116.94 120.59 1afr h PHE 279 Ca 0.16 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1afr h PHE 279 Cb -0.06 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.42 1afr h PHE 279 CO -0.04 0.62 0.27 -0.44 -2.23 0.00 0.00 178.31 176.49 1afr h ASP 280 N 0.69 0.81 -0.57 0.41 3.32 -1.89 0.11 116.42 119.31 1afr h ASP 280 Ca 0.18 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1afr h ASP 280 Cb 0.16 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1afr h ASP 280 CO -0.02 0.74 0.08 0.45 -1.72 0.00 0.00 179.24 178.77 1afr h HIS 281 N 0.84 1.04 -0.23 4.55 3.86 -1.04 0.35 115.15 124.51 1afr h HIS 281 Ca 0.21 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1afr h HIS 281 Cb 0.16 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1afr h HIS 281 CO 0.00 0.89 -0.01 0.35 0.86 0.00 0.00 177.93 180.03 1afr h PHE 282 N 0.92 0.45 -0.74 2.45 3.57 -0.68 -2.90 116.94 120.02 1afr h PHE 282 Ca 0.18 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1afr h PHE 282 Cb 0.43 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1afr h PHE 282 CO 0.03 0.60 0.47 0.77 -2.23 0.00 0.00 178.31 177.95 1afr h SER 283 N 0.18 0.87 -0.87 0.41 0.02 -0.43 -2.44 113.55 111.29 1afr h SER 283 Ca 0.06 -0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 1afr h SER 283 Cb 0.42 -0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.67 1afr h SER 283 CO 0.01 0.65 0.50 0.00 -1.14 0.00 0.00 176.83 176.85 1afr h ALA 284 N 1.26 1.26 -0.09 3.77 0.00 -0.81 0.32 119.26 124.96 1afr h ALA 284 Ca 0.27 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1afr h ALA 284 Cb -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1afr h ALA 284 CO -0.06 0.11 -0.58 0.28 0.00 0.00 0.00 179.25 179.01 1afr h VAL 285 N 0.82 1.37 -0.35 0.00 2.07 -1.26 -0.07 116.25 118.84 1afr h VAL 285 Ca 0.42 -1.90 -0.17 0.00 0.82 0.00 0.00 66.70 65.87 1afr h VAL 285 Cb 0.41 1.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1afr h VAL 285 CO -0.26 0.57 -0.44 0.00 0.02 0.00 0.00 177.57 177.45 1afr h ALA 286 N 1.17 0.52 0.25 1.67 0.00 -0.73 -0.19 119.26 121.96 1afr h ALA 286 Ca -0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1afr h ALA 286 Cb 1.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1afr h ALA 286 CO 0.09 0.67 -0.12 0.37 0.00 0.00 0.00 179.25 180.26 1afr h GLN 287 N 0.72 -0.33 -0.90 0.00 5.75 -0.25 -0.13 115.11 119.97 1afr h GLN 287 Ca 0.04 0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.61 1afr h GLN 287 Cb 1.05 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 29.62 1afr h GLN 287 CO 0.11 -0.16 0.58 -0.09 -2.65 0.00 0.00 178.83 176.62 1afr h ARG 288 N -0.42 1.07 0.00 1.69 2.43 -0.91 -1.75 114.38 116.48 1afr h ARG 288 Ca -0.03 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1afr h ARG 288 Cb 0.32 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1afr h ARG 288 CO 0.06 0.71 0.00 -0.07 -1.51 0.00 0.00 179.97 179.16 1afr h LEU 289 N 1.10 0.00 0.00 3.80 4.07 -0.85 -3.47 115.31 119.97 1afr h LEU 289 Ca 0.37 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.33 1afr h LEU 289 Cb 0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.78 1afr h LEU 289 CO -0.13 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.84 1afr n GLY 290 N 0.73 0.52 0.13 0.83 0.00 -0.22 -4.95 105.19 102.23 1afr n GLY 290 Ca 0.03 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 1.32 -1.47 1.61 2.07 -1.37 -3.44 116.25 114.97 1afr h VAL 291 Ca 0.00 -2.60 -0.14 0.00 0.82 0.00 0.00 66.70 64.78 1afr h VAL 291 Cb 0.03 3.06 -0.26 0.00 -1.52 0.00 0.00 31.29 32.60 1afr h VAL 291 CO 0.00 0.77 -0.50 -0.47 0.02 0.00 0.00 177.57 177.39 1afr s TYR 292 N -2.52 -1.24 0.58 1.57 5.04 -1.17 -4.01 117.35 115.61 1afr s TYR 292 Ca -0.12 0.38 -0.01 0.00 -2.44 0.00 0.00 57.07 54.88 1afr s TYR 292 Cb 0.03 -0.01 0.04 0.00 0.35 0.00 0.00 41.96 42.37 1afr s TYR 292 CO 0.88 -1.03 0.83 0.95 -1.34 0.00 0.00 175.55 175.84 1afr s THR 293 N 2.41 2.64 0.12 4.34 -4.23 -1.26 -3.43 115.64 116.23 1afr s THR 293 Ca 0.11 -0.55 0.31 0.00 -1.18 0.00 0.00 61.69 60.38 1afr s THR 293 Cb -0.11 -3.03 0.35 0.00 1.34 0.00 0.00 72.50 71.05 1afr s THR 293 CO -0.24 -0.02 1.95 0.00 -0.54 0.00 0.00 174.62 175.77 1afr h ALA 294 N -0.08 1.02 -0.58 3.99 0.00 -1.94 -2.57 119.26 119.11 1afr h ALA 294 Ca -0.43 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 1afr h ALA 294 Cb 1.30 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1afr h ALA 294 CO 0.54 0.08 -0.04 0.87 0.00 0.00 0.00 179.25 180.70 1afr h LYS 295 N 0.00 1.05 -0.08 0.00 1.57 -1.94 -2.75 116.57 114.43 1afr h LYS 295 Ca -0.00 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1afr h LYS 295 Cb 0.56 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1afr h LYS 295 CO 0.01 1.05 0.06 -0.44 -0.57 0.00 0.00 179.45 179.55 1afr h ASP 296 N 0.94 0.01 -0.30 0.86 3.32 -1.84 -0.09 116.42 119.31 1afr h ASP 296 Ca 0.16 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1afr h ASP 296 Cb 0.60 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 1afr h ASP 296 CO 0.04 0.01 0.18 0.22 -1.72 0.00 0.00 179.24 177.97 1afr h TYR 297 N 0.01 0.39 -0.15 4.55 5.03 -1.56 0.66 116.97 125.91 1afr h TYR 297 Ca 0.04 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1afr h TYR 297 Cb 0.13 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.28 1afr h TYR 297 CO -0.00 0.28 0.02 0.00 -1.32 0.00 0.00 178.16 177.13 1afr h ALA 298 N 1.08 0.20 -0.82 1.82 0.00 -1.19 -2.40 119.26 117.95 1afr h ALA 298 Ca 0.11 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1afr h ALA 298 Cb -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1afr h ALA 298 CO -0.02 -0.13 0.54 -0.44 0.00 0.00 0.00 179.25 179.19 1afr h ASP 299 N 0.02 0.66 0.02 0.00 5.19 -0.66 0.15 116.42 121.81 1afr h ASP 299 Ca 0.04 0.02 -0.18 0.00 -0.62 0.00 0.00 57.03 56.30 1afr h ASP 299 Cb 0.32 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.71 1afr h ASP 299 CO 0.00 0.38 -0.64 0.40 -3.12 0.00 0.00 179.24 176.27 1afr h ILE 300 N 0.73 1.32 0.29 0.35 2.04 -0.76 -1.70 117.51 119.78 1afr h ILE 300 Ca 0.39 -1.91 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 1afr h ILE 300 Cb 0.51 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1afr h ILE 300 CO -0.16 0.59 -0.14 0.25 0.00 0.00 0.00 178.15 178.70 1afr h LEU 301 N 0.44 -0.33 -0.66 1.44 5.85 -0.56 -1.18 115.31 120.30 1afr h LEU 301 Ca -0.01 -0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.74 1afr h LEU 301 Cb 1.21 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 1afr h LEU 301 CO 0.12 -0.14 0.27 -0.08 -0.34 0.00 0.00 178.44 178.27 1afr h GLU 302 N -0.51 0.44 0.02 1.25 4.81 -0.78 -0.73 114.58 119.09 1afr h GLU 302 Ca -0.04 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1afr h GLU 302 Cb 0.38 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1afr h GLU 302 CO 0.07 0.29 -0.01 0.35 -0.73 0.00 0.00 179.01 178.98 1afr h PHE 303 N 0.46 -0.02 -0.74 0.92 3.57 -1.14 -2.00 116.94 117.99 1afr h PHE 303 Ca 0.34 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 1afr h PHE 303 Cb 0.43 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.14 1afr h PHE 303 CO -0.16 0.08 0.45 -0.07 -2.23 0.00 0.00 178.31 176.38 1afr h LEU 304 N -0.12 0.88 -0.03 0.59 3.38 -0.34 0.60 115.31 120.27 1afr h LEU 304 Ca -0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1afr h LEU 304 Cb 0.11 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1afr h LEU 304 CO 0.00 0.67 0.01 0.58 0.09 0.00 0.00 178.44 179.80 1afr h VAL 305 N 1.02 1.12 0.00 1.22 2.07 -1.05 -0.57 116.25 120.06 1afr h VAL 305 Ca 0.27 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 1afr h VAL 305 Cb -0.05 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1afr h VAL 305 CO -0.05 0.10 -0.41 1.23 0.02 0.00 0.00 177.57 178.45 1afr h GLY 306 N -0.09 0.00 1.27 2.17 0.00 -0.81 0.86 103.07 106.47 1afr h GLY 306 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 1afr h GLY 306 CO -0.00 0.00 -1.00 -0.09 0.00 0.00 0.00 176.54 175.45 1afr h ARG 307 N 0.00 0.66 -0.00 4.80 1.12 0.42 -3.14 114.38 118.24 1afr h ARG 307 Ca -0.00 -0.69 0.00 0.00 -1.11 0.00 0.00 59.98 58.17 1afr h ARG 307 Cb 0.89 0.19 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 1afr h ARG 307 CO 0.05 1.28 -0.37 0.91 -3.11 0.00 0.00 179.97 178.74 1afr n TRP 308 N -3.84 0.00 -3.58 2.20 8.01 -0.24 -4.95 117.44 115.03 1afr n TRP 308 Ca -0.10 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.86 1afr n TRP 308 Cb 0.86 -0.30 0.08 0.00 -2.01 0.00 0.00 31.31 29.94 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 -1.46 -7.53 -0.31 -0.99 5.02 0.18 -4.88 118.16 108.19 1afr n LYS 309 Ca 0.06 0.82 0.14 0.00 -2.02 0.00 0.00 58.31 57.31 1afr n LYS 309 Cb 0.33 -5.85 0.37 0.00 -0.02 0.00 0.00 35.03 29.86 1afr n LYS 309 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1afr h VAL 310 N -2.50 0.75 -0.59 -0.18 2.07 -1.54 0.28 116.25 114.55 1afr h VAL 310 Ca -0.58 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 66.76 1afr h VAL 310 Cb 1.36 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1afr h VAL 310 CO 0.55 0.13 0.31 -2.24 0.02 0.00 0.00 177.57 176.34 1afr h ASP 311 N 0.69 0.45 -0.48 0.57 2.03 -1.90 -2.99 116.42 114.79 1afr h ASP 311 Ca 0.52 0.03 -0.30 0.00 -0.73 0.00 0.00 57.03 56.55 1afr h ASP 311 Cb 0.88 -0.06 -0.12 0.00 -0.83 0.00 0.00 39.33 39.21 1afr h ASP 311 CO -0.28 0.30 0.23 0.29 -1.03 0.00 0.00 179.24 178.75 1afr n LYS 312 N -4.84 1.85 -4.73 4.15 5.02 0.09 -4.90 118.16 114.79 1afr n LYS 312 Ca 0.06 -1.42 -0.33 0.00 -2.02 0.00 0.00 58.31 54.60 1afr n LYS 312 Cb 0.16 -1.70 -0.12 0.00 -0.02 0.00 0.00 35.03 33.35 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 -1.35 2.92 0.00 -0.35 1.43 -1.13 -5.05 118.68 115.14 1afr s LEU 313 Ca 0.38 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1afr s LEU 313 Cb 0.25 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1afr s LEU 313 CO -0.06 0.33 0.05 0.35 0.23 0.00 0.00 176.35 177.25 1afr n THR 314 N 2.11 0.00 -2.74 5.49 -2.24 -1.26 -4.84 114.28 110.80 1afr n THR 314 Ca -0.17 -2.22 -0.20 0.00 -2.27 0.00 0.00 64.05 59.19 1afr n THR 314 Cb 0.52 0.57 0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1afr n THR 314 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1afr n GLY 315 N -0.61 -0.51 3.88 3.38 0.00 -1.26 -4.93 105.19 105.14 1afr n GLY 315 Ca -0.15 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -6.23 4.39 1.14 0.99 1.43 -1.26 -4.90 118.68 114.24 1afr s LEU 316 Ca 0.15 0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.60 1afr s LEU 316 Cb -0.07 -2.41 0.26 0.00 0.03 0.00 0.00 46.19 43.99 1afr s LEU 316 CO 0.19 0.32 1.07 -0.94 0.23 0.00 0.00 176.35 177.22 1afr s SER 317 N -1.45 1.40 0.56 2.29 1.04 -1.26 -4.51 113.70 111.76 1afr s SER 317 Ca 0.22 1.04 0.24 0.00 0.48 0.00 0.00 55.95 57.93 1afr s SER 317 Cb -0.13 -1.58 1.53 0.00 0.10 0.00 0.00 66.02 65.94 1afr s SER 317 CO 0.12 -3.87 2.14 0.00 0.98 0.00 0.00 173.24 172.60 1afr h ALA 318 N -2.40 1.90 0.04 5.32 0.00 -1.98 0.74 119.26 122.87 1afr h ALA 318 Ca -0.53 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 1afr h ALA 318 Cb 1.32 0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1afr h ALA 318 CO 0.47 -0.18 -0.43 1.49 0.00 0.00 0.00 179.25 180.60 1afr h GLU 319 N 0.00 0.22 0.00 0.00 4.81 -1.99 -2.45 114.58 115.17 1afr h GLU 319 Ca 0.06 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 1afr h GLU 319 Cb 0.28 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1afr h GLU 319 CO -0.00 1.06 -0.18 0.78 -0.73 0.00 0.00 179.01 179.94 1afr h GLY 320 N -0.47 0.00 1.48 1.92 0.00 -1.57 -0.51 103.07 103.92 1afr h GLY 320 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.03 1afr h GLY 320 CO 0.08 0.00 -0.95 -1.61 0.00 0.00 0.00 176.54 174.06 1afr h GLN 321 N 0.00 0.47 -0.21 4.80 4.15 0.41 -1.20 115.11 123.53 1afr h GLN 321 Ca -0.00 -0.50 -0.03 0.00 0.77 0.00 0.00 58.65 58.89 1afr h GLN 321 Cb 0.55 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.37 1afr h GLN 321 CO 0.02 1.15 0.00 0.87 -1.93 0.00 0.00 178.83 178.94 1afr h LYS 322 N 0.27 0.37 0.28 1.69 1.57 -0.86 -2.46 116.57 117.43 1afr h LYS 322 Ca -0.09 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1afr h LYS 322 Cb 1.59 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 1afr h LYS 322 CO 0.17 0.56 -0.21 0.00 -0.57 0.00 0.00 179.45 179.40 1afr h ALA 323 N 0.80 -0.48 -0.77 3.86 0.00 -1.09 -0.23 119.26 121.36 1afr h ALA 323 Ca 0.06 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1afr h ALA 323 Cb 0.39 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1afr h ALA 323 CO 0.01 -0.79 0.36 0.37 0.00 0.00 0.00 179.25 179.20 1afr h GLN 324 N -0.49 0.53 -0.33 0.00 4.15 -1.22 0.96 115.11 118.70 1afr h GLN 324 Ca -0.02 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.29 1afr h GLN 324 Cb 0.43 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1afr h GLN 324 CO -0.00 0.35 -0.09 0.22 -1.93 0.00 0.00 178.83 177.38 1afr h ASP 325 N 0.55 0.66 -0.25 -0.69 3.58 -1.19 -1.29 116.42 117.79 1afr h ASP 325 Ca 0.41 -0.37 0.02 0.00 0.42 0.00 0.00 57.03 57.51 1afr h ASP 325 Cb 0.55 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1afr h ASP 325 CO -0.35 0.88 0.11 0.22 -2.88 0.00 0.00 179.24 177.22 1afr h TYR 326 N 0.43 0.21 -0.48 0.28 3.20 -0.04 -0.48 116.97 120.10 1afr h TYR 326 Ca 0.08 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1afr h TYR 326 Cb 0.60 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1afr h TYR 326 CO 0.05 0.12 0.28 0.28 -1.64 0.00 0.00 178.16 177.25 1afr h VAL 327 N 0.25 1.16 0.00 1.81 2.07 -0.75 -0.83 116.25 119.95 1afr h VAL 327 Ca 0.10 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1afr h VAL 327 Cb 0.04 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1afr h VAL 327 CO -0.08 0.16 -0.48 0.00 0.02 0.00 0.00 177.57 177.20 1afr h ARG 329 N 0.00 0.00 -0.09 0.00 3.08 -0.85 -3.40 114.38 113.12 1afr h ARG 329 Ca -0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.07 1afr h ARG 329 Cb 0.91 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.93 1afr h ARG 329 CO 0.06 0.60 -0.08 1.25 -1.07 0.00 0.00 179.97 180.73 1afr h LEU 330 N 0.00 -0.24 -0.53 3.04 5.85 -1.15 -3.11 115.31 119.17 1afr h LEU 330 Ca -0.11 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1afr h LEU 330 Cb 1.70 0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.75 1afr h LEU 330 CO 0.08 -0.11 -0.44 -0.65 -0.34 0.00 0.00 178.44 176.98 1afr h PRO 331 N -0.09 -0.25 -0.10 5.25 0.11 -1.77 0.13 132.00 135.28 1afr h PRO 331 Ca 0.06 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 1afr h PRO 331 Cb 0.18 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1afr h PRO 331 CO -0.14 -0.17 -0.16 -1.35 -0.21 0.00 0.00 178.00 175.97 1afr h PRO 332 N -0.26 0.16 0.23 1.05 0.11 -1.84 -0.99 132.00 130.45 1afr h PRO 332 Ca 0.16 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1afr h PRO 332 Cb 0.57 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1afr h PRO 332 CO -0.66 0.32 -0.11 -0.09 -0.21 0.00 0.00 178.00 177.25 1afr h ARG 333 N 0.15 -0.29 -0.54 1.05 2.43 -1.10 -2.25 114.38 113.83 1afr h ARG 333 Ca 0.03 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1afr h ARG 333 Cb 0.37 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1afr h ARG 333 CO 0.02 -0.14 0.26 0.82 -1.51 0.00 0.00 179.97 179.43 1afr h ILE 334 N -0.38 1.20 -0.65 1.20 2.04 -0.50 -2.13 117.51 118.28 1afr h ILE 334 Ca -0.03 -0.55 0.12 0.00 1.00 0.00 0.00 64.86 65.40 1afr h ILE 334 Cb 0.29 0.58 -0.09 0.00 -0.74 0.00 0.00 36.82 36.86 1afr h ILE 334 CO 0.05 0.22 0.18 -0.09 0.00 0.00 0.00 178.15 178.51 1afr h ARG 335 N 0.72 0.30 0.48 2.37 9.65 -1.02 0.21 114.38 127.10 1afr h ARG 335 Ca 0.18 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.02 1afr h ARG 335 Cb 0.11 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 1afr h ARG 335 CO -0.02 0.20 -0.23 0.00 2.80 0.00 0.00 179.97 182.71 1afr h ARG 336 N 0.31 -0.63 -0.03 0.20 2.47 -0.98 -2.33 114.38 113.39 1afr h ARG 336 Ca 0.35 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 59.14 1afr h ARG 336 Cb 0.52 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 1afr h ARG 336 CO -0.41 -0.36 -0.22 1.25 0.56 0.00 0.00 179.97 180.79 1afr h LEU 337 N -0.77 -0.66 0.00 3.04 5.85 -0.83 -3.24 115.31 118.70 1afr h LEU 337 Ca -0.07 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1afr h LEU 337 Cb 0.55 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.86 1afr h LEU 337 CO 0.11 -0.28 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.20 1afr h GLU 338 N -0.33 0.00 -0.00 1.25 5.08 -0.68 -3.33 114.58 116.56 1afr h GLU 338 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1afr h GLU 338 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1afr h GLU 338 CO -0.22 0.10 -0.09 -0.85 -1.00 0.00 0.00 179.01 176.95 1afr n GLU 339 N -3.01 0.80 0.00 2.33 0.28 -0.88 -3.77 120.64 116.39 1afr n GLU 339 Ca 0.02 -0.27 0.15 0.00 -0.16 0.00 0.00 57.16 56.89 1afr n GLU 339 Cb 0.59 -1.49 0.72 0.00 1.43 0.00 0.00 31.44 32.68 1afr n GLU 339 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1afr n ARG 340 N -0.86 0.44 -1.72 3.44 0.63 -1.23 -4.92 116.66 112.44 1afr n ARG 340 Ca 0.16 -0.04 -0.59 0.00 -0.92 0.00 0.00 57.85 56.46 1afr n ARG 340 Cb 0.27 -1.50 -0.08 0.00 0.45 0.00 0.00 32.46 31.60 1afr n ARG 340 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1afr n ALA 341 N -1.25 -0.36 0.00 5.13 0.00 -1.25 -4.82 120.51 117.97 1afr n ALA 341 Ca 0.14 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1afr n ALA 341 Cb 0.25 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.52 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 5.21 1.09 0.42 0.00 7.27 -1.26 -4.66 117.38 125.46 1afr n GLN 342 Ca 0.27 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 57.18 1afr n GLN 342 Cb 0.10 -0.84 -0.08 0.00 2.41 0.00 0.00 30.24 31.82 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 -1.13 0.72 1.69 0.00 -1.96 -3.19 103.07 99.20 1afr h GLY 343 Ca 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.74 1afr h GLY 343 CO 0.00 -0.41 -0.01 -0.09 0.00 0.00 0.00 176.54 176.03 1afr h ARG 344 N -1.08 0.15 0.00 4.80 9.65 -1.90 -3.06 114.38 122.94 1afr h ARG 344 Ca -0.11 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1afr h ARG 344 Cb 0.83 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 1afr h ARG 344 CO 0.18 0.45 0.00 0.00 2.80 0.00 0.00 179.97 183.40 1afr n ALA 345 N -2.30 0.00 0.08 2.80 0.00 -1.24 -1.28 120.51 118.57 1afr n ALA 345 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 1afr n ALA 345 Cb 0.21 0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 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 0.46 -1.20 0.00 3.64 -1.75 -3.32 116.57 114.41 1afr h LYS 346 Ca 0.00 -0.59 -0.48 0.00 -1.27 0.00 0.00 60.65 58.31 1afr h LYS 346 Cb 0.00 0.19 -0.22 0.00 -0.41 0.00 0.00 32.23 31.79 1afr h LYS 346 CO 0.00 1.23 0.62 0.39 -2.27 0.00 0.00 179.45 179.42 1afr n GLU 347 N -3.72 2.19 -2.97 1.90 1.02 -1.16 -4.94 120.64 112.97 1afr n GLU 347 Ca -0.10 -2.42 -0.40 0.00 -0.02 0.00 0.00 57.16 54.22 1afr n GLU 347 Cb 0.93 -1.95 -0.04 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.78 3.36 1.05 0.62 0.00 -0.40 -4.75 121.76 118.85 1afr s ALA 348 Ca 0.47 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 1afr s ALA 348 Cb 0.38 -3.06 0.21 0.00 0.00 0.00 0.00 23.12 20.65 1afr s ALA 348 CO 0.01 -0.25 1.10 -1.25 0.00 0.00 0.00 175.76 175.37 1afr s PRO 349 N 1.14 0.01 0.11 0.00 0.04 -1.26 -4.37 135.00 130.67 1afr s PRO 349 Ca 0.39 0.36 -0.04 0.00 0.04 0.00 0.00 61.00 61.76 1afr s PRO 349 Cb -0.18 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 1afr s PRO 349 CO 0.18 -2.98 0.32 0.99 0.04 0.00 0.00 177.00 175.55 1afr s THR 350 N -2.98 5.23 -0.11 1.26 2.01 -1.26 -0.60 115.64 119.20 1afr s THR 350 Ca 0.67 -0.07 -0.18 0.00 0.31 0.00 0.00 61.69 62.42 1afr s THR 350 Cb -0.17 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.76 1afr s THR 350 CO 0.57 0.09 0.44 -0.32 -0.69 0.00 0.00 174.62 174.72 1afr s MET 351 N -2.54 0.65 0.23 4.92 0.00 -0.52 -4.91 119.30 117.12 1afr s MET 351 Ca 0.38 0.33 -0.26 0.00 0.00 0.00 0.00 55.69 56.15 1afr s MET 351 Cb -0.12 0.31 -0.09 0.00 0.00 0.00 0.00 34.83 34.92 1afr s MET 351 CO 0.25 -0.14 0.85 -1.25 0.00 0.00 0.00 175.02 174.73 1afr s PRO 352 N -0.43 4.60 -0.12 4.11 0.04 -1.26 -1.25 135.00 140.68 1afr s PRO 352 Ca -0.06 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1afr s PRO 352 Cb -0.03 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.42 1afr s PRO 352 CO 0.03 0.46 -0.20 -0.06 0.04 0.00 0.00 177.00 177.27 1afr s PHE 353 N -1.33 2.38 0.53 0.56 0.40 -0.83 -4.94 117.98 114.75 1afr s PHE 353 Ca 0.42 -1.11 0.34 0.00 -0.60 0.00 0.00 56.93 55.98 1afr s PHE 353 Cb -0.22 -1.64 1.87 0.00 0.51 0.00 0.00 43.02 43.55 1afr s PHE 353 CO 0.26 -0.51 2.22 0.66 0.70 0.00 0.00 175.22 178.56 1afr h SER 354 N 7.17 0.00 0.11 1.36 4.64 -1.92 -0.25 113.55 124.65 1afr h SER 354 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 1afr h SER 354 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1afr h SER 354 CO 0.51 0.03 -0.07 -0.50 -0.87 0.00 0.00 176.83 175.93 1afr h TRP 355 N 0.00 0.00 -0.89 4.77 6.55 -1.92 -2.70 115.95 121.76 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 0.13 0.00 -0.40 0.00 -0.86 0.00 0.00 29.16 28.02 1afr h TRP 355 CO 0.00 0.07 -0.52 0.44 -1.05 0.00 0.00 178.44 177.38 1afr n ILE 356 N -4.17 2.70 -2.71 1.49 -5.35 -0.23 -0.26 119.36 110.83 1afr n ILE 356 Ca -0.03 -4.11 -0.20 0.00 -0.27 0.00 0.00 62.75 58.14 1afr n ILE 356 Cb 0.15 -1.16 0.01 0.00 -1.74 0.00 0.00 39.64 36.90 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 -0.71 -1.48 -1.26 4.28 3.72 -1.02 -1.67 117.46 119.32 1afr n PHE 357 Ca 0.46 0.23 -0.09 0.00 -0.05 0.00 0.00 57.45 58.01 1afr n PHE 357 Cb 0.88 -3.93 -0.04 0.00 -0.94 0.00 0.00 39.48 35.45 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 -2.20 -4.42 -4.77 4.37 8.00 -0.48 -4.98 116.55 112.07 1afr n ASP 358 Ca -0.17 0.22 -0.33 0.00 0.71 0.00 0.00 54.79 55.23 1afr n ASP 358 Cb 0.64 -2.71 0.06 0.00 -0.02 0.00 0.00 41.12 39.09 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 -2.57 2.68 -0.04 -1.24 0.52 -0.67 -4.40 118.95 113.23 1afr s ARG 359 Ca 0.00 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1afr s ARG 359 Cb 0.00 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.50 1afr s ARG 359 CO 0.00 -1.34 -0.01 -0.65 0.02 0.00 0.00 175.30 173.32 1afr s GLN 360 N -4.29 2.83 0.08 3.54 -0.21 -1.26 -1.96 119.66 118.38 1afr s GLN 360 Ca 0.65 -0.54 0.04 0.00 0.02 0.00 0.00 55.36 55.53 1afr s GLN 360 Cb -0.20 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.10 1afr s GLN 360 CO 0.45 0.66 -0.12 0.14 -2.12 0.00 0.00 175.29 174.30 1afr s VAL 361 N -0.97 0.97 0.38 1.09 -7.23 -0.38 -4.87 120.40 109.38 1afr s VAL 361 Ca 0.16 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.69 1afr s VAL 361 Cb -0.11 -1.09 -0.09 0.00 0.56 0.00 0.00 36.38 35.65 1afr s VAL 361 CO 0.06 -0.36 1.18 -0.75 -0.31 0.00 0.00 175.10 174.93 1afr s LYS 362 N -2.04 4.15 0.00 4.82 2.20 -1.26 -1.44 119.74 126.17 1afr s LYS 362 Ca -0.01 1.89 0.29 0.00 -0.36 0.00 0.00 55.97 57.78 1afr s LYS 362 Cb -0.08 -2.78 1.18 0.00 -1.51 0.00 0.00 37.83 34.64 1afr s LYS 362 CO 0.01 -0.25 1.82 1.28 -0.36 0.00 0.00 175.35 177.85