#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ca8 s PHE 6 N 0.00 3.55 0.59 0.54 2.19 -1.26 -4.98 117.98 118.60 3ca8 s PHE 6 Ca 0.00 1.52 -0.19 0.00 0.33 0.00 0.00 56.93 58.59 3ca8 s PHE 6 Cb 0.00 -3.31 -0.06 0.00 -1.31 0.00 0.00 43.02 38.34 3ca8 s PHE 6 CO 0.00 -0.78 0.89 -2.30 1.83 0.00 0.00 175.22 174.86 3ca8 n PRO 7 N 2.85 0.84 -1.70 10.12 -0.02 -1.26 -1.58 135.00 144.25 3ca8 n PRO 7 Ca 0.05 0.33 -0.44 0.00 -2.02 0.00 0.00 63.50 61.41 3ca8 n PRO 7 Cb 0.46 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3ca8 n PRO 7 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3ca8 n THR 8 N -1.68 0.91 -4.31 3.45 -2.24 -1.25 -4.05 114.28 105.11 3ca8 n THR 8 Ca 0.13 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 3ca8 n THR 8 Cb 0.47 -1.65 -0.09 0.00 -2.10 0.00 0.00 70.33 66.96 3ca8 n THR 8 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3ca8 s LEU 9 N -0.02 2.94 0.56 3.22 1.43 -1.26 -5.00 118.68 120.55 3ca8 s LEU 9 Ca 0.67 -0.63 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 3ca8 s LEU 9 Cb -0.60 -1.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 3ca8 s LEU 9 CO 0.48 0.09 1.28 -0.94 0.23 0.00 0.00 176.35 177.49 3ca8 s SER 10 N -2.97 5.31 0.35 2.29 1.04 -1.26 -4.78 113.70 113.68 3ca8 s SER 10 Ca 0.26 2.59 0.11 0.00 0.48 0.00 0.00 55.95 59.38 3ca8 s SER 10 Cb -0.08 -2.62 0.88 0.00 0.10 0.00 0.00 66.02 64.30 3ca8 s SER 10 CO 0.15 -1.53 1.81 -0.65 0.98 0.00 0.00 173.24 174.01 3ca8 h PRO 11 N 1.31 0.61 -0.61 4.02 0.11 -1.99 -0.71 132.00 134.73 3ca8 h PRO 11 Ca -0.51 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.60 3ca8 h PRO 11 Cb 1.30 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3ca8 h PRO 11 CO 0.57 0.40 0.37 0.00 -0.21 0.00 0.00 178.00 179.13 3ca8 h ALA 12 N 1.62 0.79 -0.13 -0.75 0.00 -2.00 -0.29 119.26 118.51 3ca8 h ALA 12 Ca 0.53 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.22 3ca8 h ALA 12 Cb 1.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ca8 h ALA 12 CO -0.29 0.11 -0.75 1.15 0.00 0.00 0.00 179.25 179.47 3ca8 h THR 13 N 0.73 1.32 -0.67 0.00 2.02 -1.65 -1.99 112.91 112.67 3ca8 h THR 13 Ca 0.25 -2.03 -0.01 0.00 0.77 0.00 0.00 66.41 65.38 3ca8 h THR 13 Cb 0.03 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 3ca8 h THR 13 CO -0.11 0.63 0.36 0.40 0.37 0.00 0.00 175.52 177.18 3ca8 h ILE 14 N 0.44 1.21 -0.45 3.11 1.08 -0.69 -0.36 117.51 121.85 3ca8 h ILE 14 Ca -0.04 -0.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.90 3ca8 h ILE 14 Cb 1.36 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 3ca8 h ILE 14 CO 0.15 0.23 0.29 0.44 -0.69 0.00 0.00 178.15 178.57 3ca8 h ASP 15 N 0.92 0.50 -0.31 1.72 3.45 -0.96 -1.46 116.42 120.27 3ca8 h ASP 15 Ca 0.23 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.68 3ca8 h ASP 15 Cb 0.05 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.69 3ca8 h ASP 15 CO -0.04 0.36 0.16 0.00 -1.57 0.00 0.00 179.24 178.15 3ca8 h ALA 16 N 1.18 0.40 -0.54 3.45 0.00 -1.05 0.43 119.26 123.13 3ca8 h ALA 16 Ca 0.17 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3ca8 h ALA 16 Cb -0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 3ca8 h ALA 16 CO -0.05 -0.06 0.16 0.82 0.00 0.00 0.00 179.25 180.13 3ca8 h ILE 17 N 0.38 0.76 -0.27 0.00 2.04 -0.97 -1.60 117.51 117.85 3ca8 h ILE 17 Ca 0.11 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.76 3ca8 h ILE 17 Cb 0.09 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3ca8 h ILE 17 CO -0.02 0.06 -0.25 0.78 0.00 0.00 0.00 178.15 178.72 3ca8 h ASN 18 N 0.32 0.52 -0.41 1.72 2.35 -0.78 0.20 115.58 119.50 3ca8 h ASN 18 Ca 0.27 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3ca8 h ASN 18 Cb 0.34 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3ca8 h ASN 18 CO -0.31 0.76 0.11 0.58 -1.65 0.00 0.00 177.43 176.92 3ca8 h VAL 19 N 0.45 1.23 -0.12 2.81 2.07 -0.64 -1.06 116.25 120.98 3ca8 h VAL 19 Ca 0.07 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 3ca8 h VAL 19 Cb 0.68 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3ca8 h VAL 19 CO 0.05 0.27 0.03 0.40 0.02 0.00 0.00 177.57 178.34 3ca8 h ILE 20 N 0.52 1.20 -0.69 4.57 2.04 -1.09 -2.48 117.51 121.59 3ca8 h ILE 20 Ca 0.13 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.45 3ca8 h ILE 20 Cb 0.30 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 3ca8 h ILE 20 CO -0.00 0.18 0.34 1.23 0.00 0.00 0.00 178.15 179.90 3ca8 h GLY 21 N -0.01 1.02 0.89 5.37 0.00 -0.95 -1.38 103.07 108.01 3ca8 h GLY 21 Ca 0.04 -0.21 0.01 0.00 0.00 0.00 0.00 47.33 47.17 3ca8 h GLY 21 CO 0.00 0.06 0.01 -1.61 0.00 0.00 0.00 176.54 175.00 3ca8 h GLN 22 N 0.59 0.05 -1.00 4.80 4.15 -1.17 -2.12 115.11 120.40 3ca8 h GLN 22 Ca 0.34 -0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.79 3ca8 h GLN 22 Cb 0.34 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.96 3ca8 h GLN 22 CO -0.26 0.03 0.66 2.35 -1.93 0.00 0.00 178.83 179.68 3ca8 h TRP 23 N 0.05 1.23 -0.14 3.99 7.01 -1.11 -0.77 115.95 126.21 3ca8 h TRP 23 Ca 0.04 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.94 3ca8 h TRP 23 Cb 0.04 -0.41 -0.01 0.00 -2.10 0.00 0.00 29.16 26.68 3ca8 h TRP 23 CO -0.11 0.70 -0.49 -0.07 -2.79 0.00 0.00 178.44 175.67 3ca8 h LEU 24 N 1.26 0.40 -0.18 0.65 3.38 -1.16 -3.24 115.31 116.42 3ca8 h LEU 24 Ca 0.40 -0.20 -0.22 0.00 0.09 0.00 0.00 57.88 57.96 3ca8 h LEU 24 Cb 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ca8 h LEU 24 CO -0.13 0.83 -0.95 0.00 0.09 0.00 0.00 178.44 178.28 3ca8 h ALA 25 N 1.18 0.41 -3.00 1.53 0.00 -0.88 -1.11 119.26 117.39 3ca8 h ALA 25 Ca 0.01 -0.76 -0.67 0.00 0.00 0.00 0.00 54.91 53.49 3ca8 h ALA 25 Cb 0.98 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.45 3ca8 h ALA 25 CO 0.08 0.93 -0.62 -0.65 0.00 0.00 0.00 179.25 178.99 3ca8 s GLN 26 N -3.10 3.19 -0.69 0.00 -0.21 -0.34 -4.65 119.66 113.86 3ca8 s GLN 26 Ca -0.03 -0.79 -0.26 0.00 0.02 0.00 0.00 55.36 54.30 3ca8 s GLN 26 Cb 0.09 -3.35 0.04 0.00 1.00 0.00 0.00 33.01 30.79 3ca8 s GLN 26 CO 0.84 -0.39 1.16 0.34 -2.12 0.00 0.00 175.29 175.12 3ca8 s ASP 27 N 1.52 6.20 0.27 5.90 3.68 -1.26 -4.81 116.67 128.17 3ca8 s ASP 27 Ca 0.03 -0.53 0.06 0.00 2.13 0.00 0.00 52.55 54.24 3ca8 s ASP 27 Cb -0.17 -2.51 0.35 0.00 -1.45 0.00 0.00 42.92 39.14 3ca8 s ASP 27 CO 0.02 -1.66 1.63 -2.24 0.13 0.00 0.00 175.17 173.06 3ca8 h ASP 28 N 9.81 0.24 -0.67 -0.34 3.04 -1.92 -1.78 116.42 124.79 3ca8 h ASP 28 Ca -0.28 -0.12 0.11 0.00 -3.24 0.00 0.00 57.03 53.50 3ca8 h ASP 28 Cb 1.06 -0.07 -0.12 0.00 -1.04 0.00 0.00 39.33 39.16 3ca8 h ASP 28 CO 1.23 0.71 -0.37 0.15 -2.04 0.00 0.00 179.24 178.93 3ca8 h PHE 29 N 0.17 -1.04 0.00 4.15 3.04 -1.99 -2.71 116.94 118.56 3ca8 h PHE 29 Ca 0.00 0.08 0.00 0.00 3.98 0.00 0.00 57.97 62.04 3ca8 h PHE 29 Cb 0.97 0.55 0.00 0.00 2.56 0.00 0.00 35.95 40.03 3ca8 h PHE 29 CO 0.02 -0.39 -0.85 0.66 -2.02 0.00 0.00 178.31 175.72 3ca8 h SER 30 N -0.14 0.00 0.00 0.41 4.64 -1.86 -3.47 113.55 113.13 3ca8 h SER 30 Ca 0.24 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3ca8 h SER 30 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3ca8 h SER 30 CO -0.75 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 175.86 3ca8 n GLY 31 N 1.22 0.26 0.61 -0.77 0.00 -0.68 -2.19 105.19 103.63 3ca8 n GLY 31 Ca 0.01 0.62 0.03 0.00 0.00 0.00 0.00 46.02 46.68 3ca8 n GLY 31 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ca8 n GLU 32 N 0.00 0.33 -1.82 1.61 2.13 -1.26 -4.96 120.64 116.66 3ca8 n GLU 32 Ca 0.00 -1.60 -0.42 0.00 0.66 0.00 0.00 57.16 55.79 3ca8 n GLU 32 Cb 0.00 -0.66 -0.03 0.00 0.27 0.00 0.00 31.44 31.02 3ca8 n GLU 32 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3ca8 s VAL 33 N -0.72 2.84 0.41 6.31 1.01 -0.93 -4.93 120.40 124.39 3ca8 s VAL 33 Ca 0.14 0.28 -0.23 0.00 0.00 0.00 0.00 61.98 62.17 3ca8 s VAL 33 Cb 0.14 -3.18 -0.12 0.00 0.00 0.00 0.00 36.38 33.22 3ca8 s VAL 33 CO -0.03 -0.00 0.70 -2.65 0.00 0.00 0.00 175.10 173.12 3ca8 n PRO 34 N 5.80 0.79 -2.14 2.72 -0.02 -1.26 -4.85 135.00 136.04 3ca8 n PRO 34 Ca 0.17 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.53 3ca8 n PRO 34 Cb 0.40 -1.66 -0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3ca8 n PRO 34 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3ca8 n TYR 35 N -0.69 2.72 -3.81 6.00 4.01 -1.26 -4.87 117.16 119.26 3ca8 n TYR 35 Ca 0.11 -2.80 -0.36 0.00 -0.16 0.00 0.00 57.90 54.68 3ca8 n TYR 35 Cb 0.39 -1.87 -0.13 0.00 -0.31 0.00 0.00 39.34 37.41 3ca8 n TYR 35 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3ca8 s GLN 36 N -0.53 3.31 0.26 -0.72 -0.21 -1.26 -5.08 119.66 115.43 3ca8 s GLN 36 Ca 0.48 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 55.18 3ca8 s GLN 36 Cb 0.15 -3.24 -0.04 0.00 1.00 0.00 0.00 33.01 30.87 3ca8 s GLN 36 CO -0.05 -0.31 0.14 0.00 -2.12 0.00 0.00 175.29 172.95 3ca8 s ALA 37 N 1.52 1.65 -0.77 6.09 0.00 -1.26 -4.99 121.76 124.00 3ca8 s ALA 37 Ca 0.04 -1.79 0.23 0.00 0.00 0.00 0.00 51.96 50.44 3ca8 s ALA 37 Cb -0.16 1.21 0.07 0.00 0.00 0.00 0.00 23.12 24.24 3ca8 s ALA 37 CO 0.01 -0.52 1.06 -0.25 0.00 0.00 0.00 175.76 176.06 3ca8 n ASP 38 N -0.63 0.66 -3.72 0.00 10.43 -0.36 -4.99 116.55 117.95 3ca8 n ASP 38 Ca 0.01 -0.40 -0.05 0.00 2.57 0.00 0.00 54.79 56.92 3ca8 n ASP 38 Cb 0.65 0.76 -0.02 0.00 1.84 0.00 0.00 41.12 44.36 3ca8 n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3ca8 s VAL 40 N -3.39 2.05 -0.23 0.00 1.01 -0.77 -1.70 120.40 117.38 3ca8 s VAL 40 Ca 0.10 -1.05 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 3ca8 s VAL 40 Cb -0.02 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3ca8 s VAL 40 CO 0.01 0.57 0.03 -0.63 0.00 0.00 0.00 175.10 175.07 3ca8 s ILE 41 N 0.05 4.04 -0.41 2.22 1.01 0.10 -0.92 121.20 127.28 3ca8 s ILE 41 Ca -0.10 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 3ca8 s ILE 41 Cb -0.16 -2.86 0.05 0.00 0.01 0.00 0.00 42.46 39.50 3ca8 s ILE 41 CO 0.06 0.38 0.28 -0.22 0.00 0.00 0.00 174.94 175.44 3ca8 s LEU 42 N 1.42 5.09 0.22 2.97 2.96 -0.07 -0.48 118.68 130.79 3ca8 s LEU 42 Ca 0.05 -1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 52.51 3ca8 s LEU 42 Cb -0.15 -2.08 -0.08 0.00 0.50 0.00 0.00 46.19 44.38 3ca8 s LEU 42 CO 0.02 -0.49 0.96 0.00 -1.32 0.00 0.00 176.35 175.52 3ca8 s ALA 43 N 1.57 3.33 0.21 5.97 0.00 0.02 -1.44 121.76 131.42 3ca8 s ALA 43 Ca 0.03 0.64 -0.32 0.00 0.00 0.00 0.00 51.96 52.31 3ca8 s ALA 43 Cb -0.21 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 3ca8 s ALA 43 CO 0.07 0.12 1.73 0.41 0.00 0.00 0.00 175.76 178.09 3ca8 n GLY 44 N 1.62 1.55 3.59 0.00 0.00 0.12 -4.70 105.19 107.37 3ca8 n GLY 44 Ca -0.01 0.62 -0.07 0.00 0.00 0.00 0.00 46.02 46.56 3ca8 n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ca8 n ASN 45 N 4.05 -2.10 -0.27 1.61 0.23 -1.26 -4.89 115.26 112.63 3ca8 n ASN 45 Ca 0.16 -2.40 0.02 0.00 -0.53 0.00 0.00 54.58 51.83 3ca8 n ASN 45 Cb 0.35 3.48 0.06 0.00 -2.08 0.00 0.00 39.78 41.59 3ca8 n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3ca8 n ALA 46 N -0.72 2.09 -3.09 -2.53 0.00 -1.26 -4.77 120.51 110.23 3ca8 n ALA 46 Ca -0.15 -1.04 -0.45 0.00 0.00 0.00 0.00 53.44 51.80 3ca8 n ALA 46 Cb 0.56 -0.18 -0.05 0.00 0.00 0.00 0.00 19.45 19.78 3ca8 n ALA 46 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ca8 s VAL 47 N -0.98 4.97 0.26 0.00 1.01 -1.26 -4.80 120.40 119.61 3ca8 s VAL 47 Ca 0.10 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 3ca8 s VAL 47 Cb 0.05 -4.38 0.27 0.00 0.00 0.00 0.00 36.38 32.31 3ca8 s VAL 47 CO 0.07 -0.96 1.90 0.24 0.00 0.00 0.00 175.10 176.35 3ca8 h MET 48 N 9.04 1.22 -0.54 2.72 2.86 -1.85 -1.07 114.93 127.30 3ca8 h MET 48 Ca -0.29 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3ca8 h MET 48 Cb 1.09 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 32.45 3ca8 h MET 48 CO 1.04 0.80 0.35 -1.35 1.06 0.00 0.00 176.91 178.81 3ca8 h PRO 49 N 1.25 0.72 -0.28 -0.22 0.11 -1.87 0.16 132.00 131.87 3ca8 h PRO 49 Ca 0.41 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.41 3ca8 h PRO 49 Cb 0.03 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3ca8 h PRO 49 CO -0.13 0.49 -0.07 1.15 -0.21 0.00 0.00 178.00 179.23 3ca8 h THR 50 N 0.74 1.28 -0.55 -1.15 2.02 -1.44 -1.46 112.91 112.34 3ca8 h THR 50 Ca 0.20 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 3ca8 h THR 50 Cb -0.06 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3ca8 h THR 50 CO -0.04 0.34 0.22 0.40 0.37 0.00 0.00 175.52 176.81 3ca8 h ILE 51 N 0.29 1.22 -0.14 3.11 2.04 -0.83 -2.07 117.51 121.14 3ca8 h ILE 51 Ca 0.07 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 3ca8 h ILE 51 Cb 0.54 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3ca8 h ILE 51 CO 0.03 0.27 -0.31 0.44 0.00 0.00 0.00 178.15 178.57 3ca8 h ASP 52 N 0.75 0.26 -0.29 1.72 3.32 -0.66 -2.26 116.42 119.28 3ca8 h ASP 52 Ca 0.18 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3ca8 h ASP 52 Cb 0.21 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3ca8 h ASP 52 CO -0.01 0.57 -0.12 0.00 -1.72 0.00 0.00 179.24 177.96 3ca8 h ALA 53 N 1.45 1.05 -0.35 3.45 0.00 -0.59 -1.22 119.26 123.05 3ca8 h ALA 53 Ca 0.03 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3ca8 h ALA 53 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3ca8 h ALA 53 CO 0.05 0.58 -0.12 0.00 0.00 0.00 0.00 179.25 179.76 3ca8 h ALA 54 N 1.23 0.49 -0.54 0.00 0.00 -1.00 -2.41 119.26 117.03 3ca8 h ALA 54 Ca 0.11 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3ca8 h ALA 54 Cb 0.57 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3ca8 h ALA 54 CO 0.04 0.37 0.07 0.00 0.00 0.00 0.00 179.25 179.73 3ca8 h LYS 56 N 0.80 0.45 -0.31 0.00 3.64 -1.18 0.39 116.57 120.36 3ca8 h LYS 56 Ca 0.16 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3ca8 h LYS 56 Cb 0.43 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3ca8 h LYS 56 CO 0.01 0.57 0.17 0.82 -2.27 0.00 0.00 179.45 178.75 3ca8 h ILE 57 N 0.26 1.13 -0.89 2.00 2.04 -1.37 0.31 117.51 120.99 3ca8 h ILE 57 Ca 0.08 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 3ca8 h ILE 57 Cb 0.34 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3ca8 h ILE 57 CO 0.01 0.13 0.50 0.00 0.00 0.00 0.00 178.15 178.79 3ca8 h ALA 58 N 1.04 1.15 0.20 1.87 0.00 -1.21 -0.27 119.26 122.04 3ca8 h ALA 58 Ca 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ca8 h ALA 58 Cb 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3ca8 h ALA 58 CO -0.02 0.65 -0.10 -0.09 0.00 0.00 0.00 179.25 179.69 3ca8 h ARG 59 N 1.25 -0.26 -0.68 0.00 2.43 -0.42 -2.12 114.38 114.58 3ca8 h ARG 59 Ca 0.32 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.48 3ca8 h ARG 59 Cb 0.02 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3ca8 h ARG 59 CO -0.05 0.08 0.33 -0.44 -1.51 0.00 0.00 179.97 178.37 3ca8 h ASP 60 N -0.63 0.87 0.18 -3.80 3.32 -0.31 -2.87 116.42 113.18 3ca8 h ASP 60 Ca -0.03 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3ca8 h ASP 60 Cb 0.46 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3ca8 h ASP 60 CO 0.05 0.74 -0.39 0.00 -1.72 0.00 0.00 179.24 177.91 3ca8 n GLN 61 N -4.34 0.80 -3.62 3.56 6.02 -0.12 -4.96 117.38 114.72 3ca8 n GLN 61 Ca 0.06 -0.54 -0.24 0.00 -0.01 0.00 0.00 57.00 56.27 3ca8 n GLN 61 Cb 0.13 -1.49 0.07 0.00 1.02 0.00 0.00 30.24 29.98 3ca8 n GLN 61 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3ca8 n GLN 62 N -0.63 -7.58 -4.41 -1.09 6.02 -0.82 -5.00 117.38 103.86 3ca8 n GLN 62 Ca 0.10 0.80 -0.24 0.00 -0.01 0.00 0.00 57.00 57.66 3ca8 n GLN 62 Cb 0.38 -5.84 -0.09 0.00 1.02 0.00 0.00 30.24 25.71 3ca8 n GLN 62 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3ca8 s ILE 63 N -3.33 2.78 0.56 5.09 -4.36 -1.04 -5.06 121.20 115.84 3ca8 s ILE 63 Ca 0.54 -2.23 -0.21 0.00 -0.26 0.00 0.00 60.65 58.49 3ca8 s ILE 63 Cb -0.24 -2.50 -0.05 0.00 1.25 0.00 0.00 42.46 40.92 3ca8 s ILE 63 CO 0.74 -0.38 1.26 -2.84 0.24 0.00 0.00 174.94 173.97 3ca8 s PRO 64 N -3.57 3.14 -0.20 0.37 0.02 -1.26 -4.72 135.00 128.77 3ca8 s PRO 64 Ca 0.31 1.99 -0.03 0.00 0.02 0.00 0.00 61.00 63.29 3ca8 s PRO 64 Cb -0.05 -2.13 -0.00 0.00 0.02 0.00 0.00 34.50 32.34 3ca8 s PRO 64 CO 0.17 -1.11 -0.08 -1.17 -0.33 0.00 0.00 177.00 174.47 3ca8 s LEU 65 N -3.70 2.71 -0.33 -5.54 2.96 0.22 -1.84 118.68 113.16 3ca8 s LEU 65 Ca 0.73 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 54.10 3ca8 s LEU 65 Cb -0.34 -1.67 0.01 0.00 0.50 0.00 0.00 46.19 44.68 3ca8 s LEU 65 CO 0.39 -0.00 0.16 -0.22 -1.32 0.00 0.00 176.35 175.36 3ca8 s LEU 66 N 1.35 4.26 -0.27 -0.68 0.20 -0.10 -0.46 118.68 122.99 3ca8 s LEU 66 Ca 0.04 -0.72 -0.09 0.00 0.69 0.00 0.00 54.13 54.05 3ca8 s LEU 66 Cb -0.14 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 3ca8 s LEU 66 CO -0.05 -0.26 0.12 -0.63 -0.29 0.00 0.00 176.35 175.25 3ca8 s ILE 67 N 1.57 4.68 -0.28 6.68 1.01 0.20 -0.89 121.20 134.16 3ca8 s ILE 67 Ca 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 3ca8 s ILE 67 Cb -0.18 -3.24 0.05 0.00 0.01 0.00 0.00 42.46 39.10 3ca8 s ILE 67 CO 0.06 0.26 -0.03 -0.55 0.00 0.00 0.00 174.94 174.67 3ca8 s SER 68 N 1.66 4.71 0.00 3.58 0.15 -0.52 -1.02 113.70 122.26 3ca8 s SER 68 Ca 0.06 -1.24 0.00 0.00 0.70 0.00 0.00 55.95 55.47 3ca8 s SER 68 Cb -0.16 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 3ca8 s SER 68 CO 0.06 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.89 3ca8 n GLY 69 N 4.59 1.74 0.00 9.45 0.00 0.29 -0.70 105.19 120.56 3ca8 n GLY 69 Ca -0.14 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3ca8 n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ca8 n GLY 70 N 0.00 0.08 3.02 -0.02 0.00 0.27 -0.54 105.19 108.00 3ca8 n GLY 70 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3ca8 n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ca8 s ILE 71 N 1.59 1.40 0.00 -0.61 -1.09 -1.14 -1.20 121.20 120.15 3ca8 s ILE 71 Ca 0.00 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 3ca8 s ILE 71 Cb 0.00 -1.31 0.00 0.00 -1.58 0.00 0.00 42.46 39.57 3ca8 s ILE 71 CO 0.00 0.42 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 3ca8 n GLY 72 N 4.42 2.51 0.27 6.18 0.00 -1.26 -4.31 105.19 113.00 3ca8 n GLY 72 Ca -0.18 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.30 3ca8 n GLY 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3ca8 h HIS 73 N 0.00 0.00 -0.13 1.61 3.86 -1.99 -2.13 115.15 116.37 3ca8 h HIS 73 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3ca8 h HIS 73 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3ca8 h HIS 73 CO 0.00 0.04 0.00 0.43 0.86 0.00 0.00 177.93 179.26 3ca8 n SER 74 N -4.23 2.39 -0.05 2.45 7.64 -1.26 -4.53 113.62 116.03 3ca8 n SER 74 Ca -0.03 -1.80 -0.13 0.00 1.01 0.00 0.00 58.87 57.93 3ca8 n SER 74 Cb 0.12 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.17 3ca8 n SER 74 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 3ca8 h THR 75 N 3.47 1.34 0.00 0.44 2.02 -1.75 -1.99 112.91 116.44 3ca8 h THR 75 Ca 0.00 -1.21 -0.11 0.00 0.77 0.00 0.00 66.41 65.86 3ca8 h THR 75 Cb 0.75 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 3ca8 h THR 75 CO 0.00 0.35 -0.52 0.71 0.37 0.00 0.00 175.52 176.43 3ca8 h THR 76 N -0.10 1.34 -0.50 3.16 1.35 -1.79 -1.74 112.91 114.62 3ca8 h THR 76 Ca 0.02 -1.80 -0.02 0.00 -0.55 0.00 0.00 66.41 64.06 3ca8 h THR 76 Cb 0.60 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 3ca8 h THR 76 CO 0.03 0.51 0.23 -0.26 -0.25 0.00 0.00 175.52 175.78 3ca8 h PHE 77 N 0.00 0.73 -0.66 4.73 0.04 -1.82 -1.60 116.94 118.36 3ca8 h PHE 77 Ca -0.01 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3ca8 h PHE 77 Cb 0.94 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.83 3ca8 h PHE 77 CO 0.00 0.58 0.41 1.25 -0.60 0.00 0.00 178.31 179.96 3ca8 h LEU 78 N 0.66 0.68 -0.32 1.54 5.85 -0.85 0.61 115.31 123.49 3ca8 h LEU 78 Ca 0.17 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.93 3ca8 h LEU 78 Cb 0.14 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3ca8 h LEU 78 CO -0.02 0.47 0.08 1.88 -0.34 0.00 0.00 178.44 180.51 3ca8 h TYR 79 N 0.81 0.14 0.00 1.25 0.05 -0.98 -1.81 116.97 116.42 3ca8 h TYR 79 Ca 0.26 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.03 3ca8 h TYR 79 Cb 0.01 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3ca8 h TYR 79 CO -0.05 0.04 -0.17 0.77 -1.05 0.00 0.00 178.16 177.70 3ca8 h SER 80 N 0.20 0.00 0.95 3.88 0.02 -0.92 -2.35 113.55 115.33 3ca8 h SER 80 Ca 0.15 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.90 3ca8 h SER 80 Cb 0.15 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3ca8 h SER 80 CO -0.18 0.17 -0.96 0.00 -1.14 0.00 0.00 176.83 174.72 3ca8 h ALA 81 N 1.83 0.42 -0.14 3.77 0.00 -0.17 -2.79 119.26 122.17 3ca8 h ALA 81 Ca -0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 54.91 53.88 3ca8 h ALA 81 Cb 0.34 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3ca8 h ALA 81 CO 0.02 1.19 -0.54 0.82 0.00 0.00 0.00 179.25 180.74 3ca8 h ILE 82 N 0.00 1.34 0.00 0.00 1.08 -1.26 -3.08 117.51 115.59 3ca8 h ILE 82 Ca -0.01 -1.81 -0.06 0.00 -0.39 0.00 0.00 64.86 62.59 3ca8 h ILE 82 Cb 1.70 2.07 -0.01 0.00 -3.07 0.00 0.00 36.82 37.50 3ca8 h ILE 82 CO 0.13 0.56 -0.27 0.00 -0.69 0.00 0.00 178.15 177.88 3ca8 h ALA 83 N 0.52 1.29 -0.66 1.87 0.00 -1.32 -2.05 119.26 118.91 3ca8 h ALA 83 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3ca8 h ALA 83 Cb 1.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3ca8 h ALA 83 CO 0.11 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.70 3ca8 n GLN 84 N -3.83 2.57 -3.29 0.00 10.64 -1.06 -4.80 117.38 117.61 3ca8 n GLN 84 Ca -0.02 -2.44 -0.38 0.00 -1.83 0.00 0.00 57.00 52.33 3ca8 n GLN 84 Cb 0.36 -1.53 -0.06 0.00 -0.86 0.00 0.00 30.24 28.15 3ca8 n GLN 84 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3ca8 s HIS 85 N -1.12 3.60 -0.26 2.61 2.46 -0.78 -4.96 115.29 116.84 3ca8 s HIS 85 Ca 0.45 1.02 0.26 0.00 0.47 0.00 0.00 55.06 57.26 3ca8 s HIS 85 Cb 0.24 -2.54 1.18 0.00 -0.13 0.00 0.00 32.58 31.32 3ca8 s HIS 85 CO 0.31 0.30 1.78 -1.00 -2.47 0.00 0.00 174.74 173.66 3ca8 h PRO 86 N 6.07 0.00 0.00 2.88 0.13 -1.92 -2.90 132.00 136.25 3ca8 h PRO 86 Ca -0.44 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 3ca8 h PRO 86 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3ca8 h PRO 86 CO 0.72 0.00 -1.33 0.72 -0.23 0.00 0.00 178.00 177.87 3ca8 n HIS 87 N -2.42 0.00 1.42 1.56 8.25 -1.26 -4.79 115.22 117.98 3ca8 n HIS 87 Ca 0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.60 3ca8 n HIS 87 Cb 0.18 -0.23 0.47 0.00 1.12 0.00 0.00 29.99 31.54 3ca8 n HIS 87 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3ca8 n TYR 88 N -2.52 0.03 0.19 4.41 4.01 -1.20 -3.87 117.16 118.21 3ca8 n TYR 88 Ca -0.10 -0.01 0.11 0.00 -0.16 0.00 0.00 57.90 57.74 3ca8 n TYR 88 Cb 0.62 0.00 0.60 0.00 -0.31 0.00 0.00 39.34 40.25 3ca8 n TYR 88 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 3ca8 h ASN 89 N 2.55 0.00 0.71 7.72 7.08 -1.40 -1.08 115.58 131.16 3ca8 h ASN 89 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3ca8 h ASN 89 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.78 3ca8 h ASN 89 CO 0.00 0.00 0.00 0.35 -2.08 0.00 0.00 177.43 175.70 3ca8 n THR 90 N -2.31 0.31 -3.06 6.14 -2.24 -1.25 -4.78 114.28 107.09 3ca8 n THR 90 Ca -0.01 0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.44 3ca8 n THR 90 Cb 0.13 -0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 67.64 3ca8 n THR 90 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ca8 s ILE 91 N -2.87 5.02 0.35 2.28 1.01 -0.41 -5.04 121.20 121.54 3ca8 s ILE 91 Ca 0.15 1.34 -0.28 0.00 0.00 0.00 0.00 60.65 61.86 3ca8 s ILE 91 Cb 0.16 -4.00 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 3ca8 s ILE 91 CO 0.42 0.16 1.42 -0.13 0.00 0.00 0.00 174.94 176.81 3ca8 s ARG 92 N 1.48 4.21 0.02 2.79 3.00 -1.26 -4.93 118.95 124.25 3ca8 s ARG 92 Ca 0.33 2.43 -0.00 0.00 0.00 0.00 0.00 55.73 58.49 3ca8 s ARG 92 Cb -0.17 -3.01 -0.00 0.00 0.00 0.00 0.00 34.95 31.77 3ca8 s ARG 92 CO 0.13 -0.41 -0.00 0.25 0.00 0.00 0.00 175.30 175.27 3ca8 n THR 93 N 0.75 0.26 -1.64 0.02 -2.24 -1.26 -4.85 114.28 105.32 3ca8 n THR 93 Ca 0.01 0.10 -0.47 0.00 -2.27 0.00 0.00 64.05 61.42 3ca8 n THR 93 Cb 0.40 -1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 3ca8 n THR 93 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3ca8 n THR 94 N -2.71 0.42 0.00 4.28 -1.04 -1.26 -1.11 114.28 112.85 3ca8 n THR 94 Ca -0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 3ca8 n THR 94 Cb 0.00 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 3ca8 n THR 94 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3ca8 n GLY 95 N 2.65 2.06 3.93 3.41 0.00 -1.26 -5.04 105.19 110.95 3ca8 n GLY 95 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3ca8 n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ca8 s ARG 96 N -0.33 3.49 0.58 1.61 0.52 -0.27 -5.09 118.95 119.46 3ca8 s ARG 96 Ca 0.00 -0.43 -0.16 0.00 -0.52 0.00 0.00 55.73 54.62 3ca8 s ARG 96 Cb 0.00 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 3ca8 s ARG 96 CO 0.00 0.46 1.06 0.00 0.02 0.00 0.00 175.30 176.84 3ca8 s ALA 97 N -1.79 2.73 0.23 2.13 0.00 -1.26 -4.95 121.76 118.84 3ca8 s ALA 97 Ca 0.37 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.71 3ca8 s ALA 97 Cb -0.11 -3.25 0.37 0.00 0.00 0.00 0.00 23.12 20.13 3ca8 s ALA 97 CO 0.29 -0.78 1.69 0.93 0.00 0.00 0.00 175.76 177.88 3ca8 h GLU 98 N 0.59 0.24 -0.04 0.00 5.08 -1.15 -2.32 114.58 116.97 3ca8 h GLU 98 Ca -0.47 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 3ca8 h GLU 98 Cb 1.22 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 3ca8 h GLU 98 CO 0.57 0.16 -0.38 0.00 -1.00 0.00 0.00 179.01 178.36 3ca8 h ALA 99 N 1.55 1.29 -0.47 3.43 0.00 -1.07 -1.50 119.26 122.49 3ca8 h ALA 99 Ca 0.36 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3ca8 h ALA 99 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ca8 h ALA 99 CO -0.47 0.51 -0.14 1.15 0.00 0.00 0.00 179.25 180.30 3ca8 h THR 100 N 0.07 1.27 -0.15 0.00 2.02 -1.68 -1.15 112.91 113.29 3ca8 h THR 100 Ca 0.01 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 3ca8 h THR 100 Cb 0.71 1.11 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 3ca8 h THR 100 CO 0.05 0.44 -0.06 0.40 0.37 0.00 0.00 175.52 176.72 3ca8 h ILE 101 N 0.78 1.31 -0.00 3.11 2.04 -1.28 -2.80 117.51 120.66 3ca8 h ILE 101 Ca 0.12 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 3ca8 h ILE 101 Cb 0.70 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 3ca8 h ILE 101 CO 0.05 0.32 -0.32 -0.07 0.00 0.00 0.00 178.15 178.13 3ca8 h LEU 102 N -0.02 0.00 -0.88 1.44 3.38 -1.25 -1.59 115.31 116.40 3ca8 h LEU 102 Ca 0.03 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 3ca8 h LEU 102 Cb 0.52 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3ca8 h LEU 102 CO 0.02 0.32 -0.56 0.00 0.09 0.00 0.00 178.44 178.31 3ca8 h ALA 103 N 1.68 1.07 -0.48 1.53 0.00 -1.14 -1.69 119.26 120.24 3ca8 h ALA 103 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3ca8 h ALA 103 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3ca8 h ALA 103 CO 0.04 0.70 0.13 -0.44 0.00 0.00 0.00 179.25 179.68 3ca8 h ASP 104 N 0.00 0.71 -0.35 0.00 3.45 -1.03 0.16 116.42 119.37 3ca8 h ASP 104 Ca -0.01 -0.22 0.03 0.00 0.43 0.00 0.00 57.03 57.26 3ca8 h ASP 104 Cb 0.99 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 39.55 3ca8 h ASP 104 CO 0.07 0.75 0.17 0.40 -1.57 0.00 0.00 179.24 179.06 3ca8 h ILE 105 N 0.64 0.98 -0.55 0.35 2.04 -1.20 0.45 117.51 120.22 3ca8 h ILE 105 Ca 0.15 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3ca8 h ILE 105 Cb 0.31 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3ca8 h ILE 105 CO -0.00 0.06 0.26 0.00 0.00 0.00 0.00 178.15 178.48 3ca8 h ALA 106 N 1.18 0.71 0.00 1.87 0.00 -1.18 -2.15 119.26 119.69 3ca8 h ALA 106 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3ca8 h ALA 106 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3ca8 h ALA 106 CO -0.11 0.27 -0.22 1.25 0.00 0.00 0.00 179.25 180.44 3ca8 h HIS 107 N 0.74 0.00 -0.28 0.00 -0.00 -0.91 -1.94 115.15 112.76 3ca8 h HIS 107 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.46 3ca8 h HIS 107 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.51 3ca8 h HIS 107 CO -0.00 0.26 -0.23 1.96 -0.00 0.00 0.00 177.93 179.91 3ca8 h GLN 108 N -1.00 0.53 0.00 5.26 4.20 -1.01 -1.60 115.11 121.49 3ca8 h GLN 108 Ca -0.03 -0.20 -0.25 0.00 0.06 0.00 0.00 58.65 58.24 3ca8 h GLN 108 Cb 0.37 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 3ca8 h GLN 108 CO -0.02 0.72 -1.92 1.19 -0.67 0.00 0.00 178.83 178.13 3ca8 n PHE 109 N -4.13 0.00 1.00 2.96 3.01 -0.91 -4.51 117.46 114.88 3ca8 n PHE 109 Ca -0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 3ca8 n PHE 109 Cb 0.40 -0.66 -0.01 0.00 -0.01 0.00 0.00 39.48 39.20 3ca8 n PHE 109 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3ca8 n TRP 110 N -2.56 0.00 -2.42 1.38 7.02 -0.86 -4.99 117.44 115.02 3ca8 n TRP 110 Ca -0.23 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.05 3ca8 n TRP 110 Cb 0.92 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.80 3ca8 n TRP 110 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3ca8 n HIS 111 N -0.11 -1.00 -2.45 -5.99 8.25 -0.60 -4.95 115.22 108.37 3ca8 n HIS 111 Ca 0.09 0.04 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 3ca8 n HIS 111 Cb 0.46 -3.84 -0.03 0.00 1.12 0.00 0.00 29.99 27.70 3ca8 n HIS 111 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ca8 s ILE 112 N -2.99 4.21 0.55 1.59 1.01 -0.78 -4.98 121.20 119.82 3ca8 s ILE 112 Ca 0.02 1.55 -0.21 0.00 0.00 0.00 0.00 60.65 62.01 3ca8 s ILE 112 Cb -0.01 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 3ca8 s ILE 112 CO 0.03 0.01 1.36 -2.84 0.00 0.00 0.00 174.94 173.50 3ca8 s PRO 113 N 2.10 3.09 0.34 2.79 0.02 -1.26 -4.26 135.00 137.81 3ca8 s PRO 113 Ca 0.56 2.24 0.14 0.00 0.02 0.00 0.00 61.00 63.96 3ca8 s PRO 113 Cb -0.25 -2.23 1.06 0.00 0.02 0.00 0.00 34.50 33.10 3ca8 s PRO 113 CO 0.23 -1.23 1.67 0.45 -0.33 0.00 0.00 177.00 177.79 3ca8 h HIS 114 N 1.39 0.93 0.00 6.54 3.86 -1.93 -1.08 115.15 124.85 3ca8 h HIS 114 Ca -0.51 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 3ca8 h HIS 114 Cb 1.30 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3ca8 h HIS 114 CO 0.45 -0.15 0.00 -0.85 0.86 0.00 0.00 177.93 178.24 3ca8 n GLU 115 N -5.04 0.12 -0.10 2.45 0.28 -1.26 -1.74 120.64 115.35 3ca8 n GLU 115 Ca 0.31 0.18 0.06 0.00 -0.16 0.00 0.00 57.16 57.55 3ca8 n GLU 115 Cb 0.95 -1.50 0.11 0.00 1.43 0.00 0.00 31.44 32.43 3ca8 n GLU 115 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3ca8 n LYS 116 N -1.39 1.90 -4.32 3.44 4.01 -0.41 -4.92 118.16 116.46 3ca8 n LYS 116 Ca 0.06 -1.69 -0.34 0.00 -0.51 0.00 0.00 58.31 55.83 3ca8 n LYS 116 Cb 0.15 -1.25 -0.14 0.00 -0.51 0.00 0.00 35.03 33.28 3ca8 n LYS 116 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3ca8 s ILE 117 N -0.98 3.24 -0.24 -0.18 1.01 -0.71 -0.61 121.20 122.73 3ca8 s ILE 117 Ca 0.19 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 3ca8 s ILE 117 Cb 0.11 -2.42 0.01 0.00 0.01 0.00 0.00 42.46 40.17 3ca8 s ILE 117 CO 0.15 0.48 -0.05 0.26 0.00 0.00 0.00 174.94 175.78 3ca8 s TRP 118 N 0.88 3.00 -0.27 3.97 0.51 0.39 -4.97 118.94 122.45 3ca8 s TRP 118 Ca -0.02 -1.21 -0.12 0.00 -2.12 0.00 0.00 56.10 52.63 3ca8 s TRP 118 Cb -0.15 -2.09 -0.05 0.00 -0.81 0.00 0.00 33.47 30.37 3ca8 s TRP 118 CO 0.01 -0.64 0.21 0.42 -0.51 0.00 0.00 176.95 176.44 3ca8 s ILE 119 N 1.41 5.30 -0.43 2.03 1.01 -1.26 -0.63 121.20 128.63 3ca8 s ILE 119 Ca 0.03 0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.93 3ca8 s ILE 119 Cb -0.15 -3.55 0.12 0.00 0.01 0.00 0.00 42.46 38.88 3ca8 s ILE 119 CO -0.04 0.26 0.19 -0.70 0.00 0.00 0.00 174.94 174.65 3ca8 s GLU 120 N 1.65 1.90 -0.30 2.79 -6.30 -0.19 -4.97 118.70 113.29 3ca8 s GLU 120 Ca 0.08 -2.08 0.09 0.00 -2.50 0.00 0.00 54.97 50.57 3ca8 s GLU 120 Cb -0.15 -3.44 0.51 0.00 0.00 0.00 0.00 34.13 31.05 3ca8 s GLU 120 CO 0.10 -1.05 1.48 -0.40 0.02 0.00 0.00 175.26 175.41 3ca8 n ASP 121 N 4.07 2.53 0.00 -1.70 3.85 -1.26 -0.55 116.55 123.49 3ca8 n ASP 121 Ca 0.03 -3.77 0.00 0.00 -0.71 0.00 0.00 54.79 50.34 3ca8 n ASP 121 Cb 0.40 -0.64 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 3ca8 n ASP 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ca8 n GLN 122 N -1.11 2.27 -1.82 0.11 1.13 -1.26 -4.06 117.38 112.63 3ca8 n GLN 122 Ca 0.34 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 55.02 3ca8 n GLN 122 Cb 1.06 -0.78 0.04 0.00 0.11 0.00 0.00 30.24 30.67 3ca8 n GLN 122 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3ca8 s SER 123 N -1.39 5.18 0.00 1.08 1.04 -1.26 -4.54 113.70 113.81 3ca8 s SER 123 Ca 0.00 2.69 0.00 0.00 0.48 0.00 0.00 55.95 59.12 3ca8 s SER 123 Cb 0.00 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3ca8 s SER 123 CO 0.00 -1.62 0.23 0.35 0.98 0.00 0.00 173.24 173.17 3ca8 n THR 124 N -1.20 0.00 -3.83 2.02 -2.24 -1.26 -0.56 114.28 107.21 3ca8 n THR 124 Ca 0.11 -0.47 -0.06 0.00 -2.27 0.00 0.00 64.05 61.36 3ca8 n THR 124 Cb 0.46 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.71 3ca8 n THR 124 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3ca8 s ASN 125 N -0.49 -0.17 0.19 3.42 2.20 -1.26 -4.35 114.94 114.48 3ca8 s ASN 125 Ca 0.00 -0.68 -0.12 0.00 -0.94 0.00 0.00 52.86 51.12 3ca8 s ASN 125 Cb 0.00 0.69 0.21 0.00 -2.00 0.00 0.00 41.25 40.15 3ca8 s ASN 125 CO 0.00 -1.30 1.73 0.00 -2.94 0.00 0.00 177.10 174.59 3ca8 h GLY 127 N 0.31 1.00 1.28 0.00 0.00 -1.97 -0.52 103.07 103.18 3ca8 h GLY 127 Ca 0.26 -0.35 -0.26 0.00 0.00 0.00 0.00 47.33 46.99 3ca8 h GLY 127 CO -0.30 0.31 -1.01 0.83 0.00 0.00 0.00 176.54 176.37 3ca8 h GLU 128 N 0.89 0.64 -0.51 4.80 5.08 -1.74 -0.10 114.58 123.65 3ca8 h GLU 128 Ca 0.28 -0.69 0.10 0.00 -1.00 0.00 0.00 59.36 58.06 3ca8 h GLU 128 Cb 0.03 0.19 -0.09 0.00 0.50 0.00 0.00 28.75 29.38 3ca8 h GLU 128 CO -0.08 1.28 -0.09 -0.91 -1.00 0.00 0.00 179.01 178.21 3ca8 h ASN 129 N 0.37 -0.40 -0.04 1.42 -0.26 -0.47 0.96 115.58 117.16 3ca8 h ASN 129 Ca -0.12 0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 3ca8 h ASN 129 Cb 1.66 0.29 -0.00 0.00 -1.06 0.00 0.00 38.32 39.21 3ca8 h ASN 129 CO 0.19 -0.14 -0.03 0.00 -1.06 0.00 0.00 177.43 176.39 3ca8 h ALA 130 N 1.50 0.05 -0.73 -0.83 0.00 -0.99 -2.20 119.26 116.05 3ca8 h ALA 130 Ca 0.25 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ca8 h ALA 130 Cb 0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3ca8 h ALA 130 CO -0.50 -0.19 0.31 -0.09 0.00 0.00 0.00 179.25 178.78 3ca8 h ARG 131 N -0.35 1.08 0.04 0.00 9.65 -0.80 -1.39 114.38 122.61 3ca8 h ARG 131 Ca 0.01 -0.18 -0.24 0.00 -1.10 0.00 0.00 59.98 58.46 3ca8 h ARG 131 Cb 0.50 -0.18 0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3ca8 h ARG 131 CO 0.01 0.87 -1.04 0.74 2.80 0.00 0.00 179.97 183.36 3ca8 h PHE 132 N 1.04 0.65 -0.17 2.20 0.05 -0.87 -1.58 116.94 118.26 3ca8 h PHE 132 Ca 0.25 -0.38 -0.00 0.00 3.82 0.00 0.00 57.97 61.65 3ca8 h PHE 132 Cb 0.18 -0.06 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 3ca8 h PHE 132 CO 0.01 1.22 0.09 0.77 -0.18 0.00 0.00 178.31 180.22 3ca8 h SER 133 N 0.21 0.21 -0.97 2.17 0.02 -1.34 -1.74 113.55 112.12 3ca8 h SER 133 Ca -0.10 -0.10 0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3ca8 h SER 133 Cb 1.69 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 64.12 3ca8 h SER 133 CO 0.18 0.25 0.63 0.40 -1.14 0.00 0.00 176.83 177.15 3ca8 h ILE 134 N 0.16 1.12 -0.56 3.27 2.04 -1.13 -0.06 117.51 122.35 3ca8 h ILE 134 Ca 0.06 -0.40 -0.10 0.00 1.00 0.00 0.00 64.86 65.42 3ca8 h ILE 134 Cb 0.09 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.00 3ca8 h ILE 134 CO -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 178.15 178.31 3ca8 h ALA 135 N 1.46 0.85 -0.40 1.87 0.00 -1.03 -1.07 119.26 120.94 3ca8 h ALA 135 Ca 0.40 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3ca8 h ALA 135 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ca8 h ALA 135 CO -0.14 0.66 -0.36 -0.07 0.00 0.00 0.00 179.25 179.33 3ca8 h LEU 136 N 0.92 1.02 -1.22 0.00 3.38 -0.83 -3.04 115.31 115.53 3ca8 h LEU 136 Ca 0.16 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 3ca8 h LEU 136 Cb 0.59 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3ca8 h LEU 136 CO 0.04 1.26 0.28 -0.07 0.09 0.00 0.00 178.44 180.03 3ca8 h LEU 137 N 0.78 0.74 -1.75 1.67 3.38 -0.77 -2.42 115.31 116.94 3ca8 h LEU 137 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ca8 h LEU 137 Cb 0.96 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3ca8 h LEU 137 CO 0.09 0.63 0.00 -1.13 0.09 0.00 0.00 178.44 178.12 3ca8 h ASN 138 N 0.82 0.00 0.68 -0.43 -1.24 -1.09 -2.50 115.58 111.81 3ca8 h ASN 138 Ca 0.20 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.21 3ca8 h ASN 138 Cb 0.09 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.14 3ca8 h ASN 138 CO -0.03 0.00 -0.16 0.00 -1.29 0.00 0.00 177.43 175.95 3ca8 n GLN 139 N -2.97 0.20 -2.13 6.67 6.02 -0.91 -4.91 117.38 119.35 3ca8 n GLN 139 Ca -0.00 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.52 3ca8 n GLN 139 Cb 0.23 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.97 3ca8 n GLN 139 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ca8 s ALA 140 N -2.84 3.55 -0.02 -1.58 0.00 -0.94 -4.94 121.76 114.99 3ca8 s ALA 140 Ca 0.18 1.21 -0.19 0.00 0.00 0.00 0.00 51.96 53.16 3ca8 s ALA 140 Cb 0.19 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3ca8 s ALA 140 CO 0.56 -0.62 0.78 -0.39 0.00 0.00 0.00 175.76 176.09 3ca8 h VAL 141 N 3.51 0.00 -0.63 0.00 -1.51 -1.91 -3.39 116.25 112.32 3ca8 h VAL 141 Ca -0.46 -0.50 -0.25 0.00 -1.23 0.00 0.00 66.70 64.26 3ca8 h VAL 141 Cb 1.22 0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.34 3ca8 h VAL 141 CO 0.75 0.00 0.66 -1.83 -1.23 0.00 0.00 177.57 175.92 3ca8 s GLU 142 N -3.76 2.40 0.48 5.19 -1.05 -1.26 -4.93 118.70 115.76 3ca8 s GLU 142 Ca -0.10 -0.27 -0.22 0.00 -0.15 0.00 0.00 54.97 54.23 3ca8 s GLU 142 Cb 0.01 -5.04 -0.09 0.00 -0.44 0.00 0.00 34.13 28.57 3ca8 s GLU 142 CO 0.30 -3.62 0.87 0.54 0.95 0.00 0.00 175.26 174.30 3ca8 n ARG 143 N 8.78 1.03 -3.82 -4.83 5.12 -1.26 -5.00 116.66 116.68 3ca8 n ARG 143 Ca 0.42 0.38 -0.36 0.00 -1.93 0.00 0.00 57.85 56.35 3ca8 n ARG 143 Cb 0.46 -1.95 -0.12 0.00 -1.16 0.00 0.00 32.46 29.69 3ca8 n ARG 143 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3ca8 s VAL 144 N -1.42 4.29 -0.13 1.55 1.01 -1.26 -4.98 120.40 119.45 3ca8 s VAL 144 Ca 0.67 -0.18 0.12 0.00 0.00 0.00 0.00 61.98 62.58 3ca8 s VAL 144 Cb -0.52 -2.99 -0.24 0.00 0.00 0.00 0.00 36.38 32.64 3ca8 s VAL 144 CO 0.54 0.36 0.33 1.41 0.00 0.00 0.00 175.10 177.75 3ca8 n HIS 145 N 4.72 0.57 -3.92 5.22 -0.00 -1.26 -4.94 115.22 115.61 3ca8 n HIS 145 Ca -0.16 0.19 -0.17 0.00 -0.00 0.00 0.00 57.72 57.57 3ca8 n HIS 145 Cb 0.51 -1.10 -0.16 0.00 -0.00 0.00 0.00 29.99 29.24 3ca8 n HIS 145 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3ca8 s THR 146 N -2.55 0.19 -0.02 1.59 2.01 -1.26 -4.50 115.64 111.10 3ca8 s THR 146 Ca -0.11 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.02 3ca8 s THR 146 Cb 0.07 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.29 3ca8 s THR 146 CO 0.80 0.15 -0.14 0.00 -0.69 0.00 0.00 174.62 174.74 3ca8 s ALA 147 N 1.07 1.24 -0.15 7.40 0.00 0.54 -1.22 121.76 130.65 3ca8 s ALA 147 Ca -0.09 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.06 3ca8 s ALA 147 Cb -0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 3ca8 s ALA 147 CO -0.02 0.26 0.68 0.42 0.00 0.00 0.00 175.76 177.10 3ca8 s ILE 148 N -0.12 5.01 -0.25 0.00 1.01 -0.69 -1.30 121.20 124.87 3ca8 s ILE 148 Ca 0.01 1.34 -0.09 0.00 0.00 0.00 0.00 60.65 61.91 3ca8 s ILE 148 Cb -0.08 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3ca8 s ILE 148 CO 0.00 0.15 0.12 -0.69 0.00 0.00 0.00 174.94 174.52 3ca8 s VAL 149 N 1.57 4.86 -0.23 2.92 1.01 -0.20 0.01 120.40 130.33 3ca8 s VAL 149 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3ca8 s VAL 149 Cb -0.16 -3.27 0.03 0.00 0.00 0.00 0.00 36.38 32.98 3ca8 s VAL 149 CO 0.13 0.33 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 3ca8 s VAL 150 N 1.38 2.45 0.03 2.92 1.01 0.37 -1.84 120.40 126.71 3ca8 s VAL 150 Ca 0.06 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.90 3ca8 s VAL 150 Cb -0.15 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3ca8 s VAL 150 CO 0.06 0.25 -0.04 -1.58 0.00 0.00 0.00 175.10 173.79 3ca8 s GLN 151 N 1.26 0.40 -0.21 2.72 2.00 -1.26 -0.80 119.66 123.77 3ca8 s GLN 151 Ca -0.00 -0.72 -0.31 0.00 -2.00 0.00 0.00 55.36 52.33 3ca8 s GLN 151 Cb -0.16 0.02 -0.14 0.00 0.80 0.00 0.00 33.01 33.53 3ca8 s GLN 151 CO -0.07 -0.03 0.97 -3.47 -0.50 0.00 0.00 175.29 172.19 3ca8 n ASP 152 N 1.39 0.51 -0.05 6.67 -0.08 -1.26 -4.44 116.55 119.29 3ca8 n ASP 152 Ca -0.23 0.82 0.23 0.00 -1.51 0.00 0.00 54.79 54.11 3ca8 n ASP 152 Cb 0.56 -0.62 0.71 0.00 2.34 0.00 0.00 41.12 44.10 3ca8 n ASP 152 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3ca8 h PRO 153 N 2.94 0.00 0.00 -0.67 0.11 -1.89 -0.70 132.00 131.79 3ca8 h PRO 153 Ca -0.33 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 3ca8 h PRO 153 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 3ca8 h PRO 153 CO 0.59 0.00 -0.33 1.79 -0.21 0.00 0.00 178.00 179.84 3ca8 h THR 154 N 0.00 1.02 -0.20 -1.15 1.35 -1.87 -3.07 112.91 108.99 3ca8 h THR 154 Ca 0.30 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 3ca8 h THR 154 Cb 1.25 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.37 3ca8 h THR 154 CO -0.00 0.32 0.00 0.23 -0.25 0.00 0.00 175.52 175.82 3ca8 n MET 155 N -3.83 1.78 0.02 4.72 2.81 -0.32 -4.58 117.12 117.72 3ca8 n MET 155 Ca -0.01 -1.69 -0.10 0.00 -1.81 0.00 0.00 57.70 54.08 3ca8 n MET 155 Cb 0.41 -1.28 -0.04 0.00 -0.71 0.00 0.00 33.22 31.59 3ca8 n MET 155 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3ca8 h GLN 156 N 2.50 -0.16 -0.37 0.03 5.75 -1.33 -0.69 115.11 120.84 3ca8 h GLN 156 Ca 0.00 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.55 3ca8 h GLN 156 Cb 0.65 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 3ca8 h GLN 156 CO 0.00 -0.11 0.14 -0.09 -2.65 0.00 0.00 178.83 176.12 3ca8 h ARG 157 N -0.17 0.29 -0.63 1.69 2.43 -1.44 -0.85 114.38 115.71 3ca8 h ARG 157 Ca 0.07 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3ca8 h ARG 157 Cb 0.26 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 3ca8 h ARG 157 CO -0.17 0.19 0.19 -0.09 -1.51 0.00 0.00 179.97 178.59 3ca8 h ARG 158 N 0.30 0.98 -0.44 0.20 2.43 -1.83 -2.01 114.38 114.01 3ca8 h ARG 158 Ca 0.16 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 3ca8 h ARG 158 Cb 0.13 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3ca8 h ARG 158 CO -0.16 0.87 0.18 1.15 -1.51 0.00 0.00 179.97 180.50 3ca8 h THR 159 N 0.91 1.20 -0.78 0.20 2.02 -0.57 0.16 112.91 116.05 3ca8 h THR 159 Ca 0.20 -0.61 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3ca8 h THR 159 Cb 0.30 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3ca8 h THR 159 CO -0.01 0.23 0.40 0.24 0.37 0.00 0.00 175.52 176.75 3ca8 h MET 160 N 0.57 1.11 0.00 6.66 2.86 -1.09 -1.35 114.93 123.69 3ca8 h MET 160 Ca 0.15 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3ca8 h MET 160 Cb 0.18 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3ca8 h MET 160 CO -0.01 0.85 -0.39 0.00 1.06 0.00 0.00 176.91 178.41 3ca8 h ALA 161 N 1.20 1.23 0.16 6.32 0.00 -0.58 -1.39 119.26 126.21 3ca8 h ALA 161 Ca 0.27 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3ca8 h ALA 161 Cb 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ca8 h ALA 161 CO -0.04 0.49 -0.08 1.15 0.00 0.00 0.00 179.25 180.78 3ca8 h THR 162 N 0.00 0.98 -0.59 0.00 2.02 -0.43 -1.61 112.91 113.27 3ca8 h THR 162 Ca -0.00 -0.81 0.09 0.00 0.77 0.00 0.00 66.41 66.46 3ca8 h THR 162 Cb 0.75 1.45 -0.07 0.00 -1.74 0.00 0.00 68.15 68.55 3ca8 h THR 162 CO 0.05 0.18 0.23 -0.26 0.37 0.00 0.00 175.52 176.09 3ca8 h PHE 163 N -0.62 0.40 0.00 3.16 -1.00 -1.13 -1.93 116.94 115.83 3ca8 h PHE 163 Ca -0.02 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3ca8 h PHE 163 Cb 0.46 -0.09 -0.00 0.00 3.61 0.00 0.00 35.95 39.93 3ca8 h PHE 163 CO 0.05 0.12 -0.03 0.00 -1.61 0.00 0.00 178.31 176.83 3ca8 h ARG 164 N 0.42 0.00 -0.13 1.51 3.08 -1.29 -2.18 114.38 115.79 3ca8 h ARG 164 Ca 0.29 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 3ca8 h ARG 164 Cb 0.34 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3ca8 h ARG 164 CO -0.29 0.03 -0.34 -0.09 -1.07 0.00 0.00 179.97 178.22 3ca8 h ARG 165 N 0.00 0.26 0.14 0.04 9.65 -0.51 0.25 114.38 124.21 3ca8 h ARG 165 Ca -0.00 -0.11 -0.29 0.00 -1.10 0.00 0.00 59.98 58.48 3ca8 h ARG 165 Cb 0.67 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3ca8 h ARG 165 CO 0.00 0.57 -1.37 0.52 2.80 0.00 0.00 179.97 182.50 3ca8 h MET 166 N 0.23 0.29 0.00 0.20 2.86 -1.07 -3.39 114.93 114.04 3ca8 h MET 166 Ca 0.03 -0.50 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 3ca8 h MET 166 Cb 0.71 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.55 3ca8 h MET 166 CO 0.05 1.20 -0.26 0.25 1.06 0.00 0.00 176.91 179.21 3ca8 n THR 167 N -3.52 0.00 -1.31 2.22 -2.24 -1.07 -5.13 114.28 103.23 3ca8 n THR 167 Ca -0.12 -0.28 0.17 0.00 -2.27 0.00 0.00 64.05 61.55 3ca8 n THR 167 Cb 1.04 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 70.03 3ca8 n THR 167 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ca8 n GLY 168 N 1.23 -2.37 3.60 3.38 0.00 0.88 -5.05 105.19 106.85 3ca8 n GLY 168 Ca 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 3ca8 n GLY 168 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3ca8 s ASP 169 N -6.92 -0.25 -0.26 1.61 3.68 -1.26 -4.84 116.67 108.43 3ca8 s ASP 169 Ca 0.00 -0.56 -0.02 0.00 2.13 0.00 0.00 52.55 54.10 3ca8 s ASP 169 Cb 0.00 0.62 0.03 0.00 -1.45 0.00 0.00 42.92 42.12 3ca8 s ASP 169 CO 0.00 -1.13 -0.04 0.21 0.13 0.00 0.00 175.17 174.34 3ca8 s ASN 170 N -2.90 4.50 0.57 -0.34 3.04 -1.26 -4.99 114.94 113.55 3ca8 s ASN 170 Ca 0.11 -0.97 0.26 0.00 0.04 0.00 0.00 52.86 52.31 3ca8 s ASN 170 Cb -0.02 -1.68 1.54 0.00 -1.54 0.00 0.00 41.25 39.55 3ca8 s ASN 170 CO 0.01 -0.16 2.07 -0.65 -3.04 0.00 0.00 177.10 175.33 3ca8 h PRO 171 N 8.02 0.00 -0.00 0.43 0.11 -2.00 -0.14 132.00 138.42 3ca8 h PRO 171 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3ca8 h PRO 171 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ca8 h PRO 171 CO 0.56 0.00 -0.36 -0.25 -0.21 0.00 0.00 178.00 177.74 3ca8 n ASP 172 N -4.02 0.52 -2.78 -2.05 8.00 -1.26 -4.48 116.55 110.47 3ca8 n ASP 172 Ca 0.03 -0.28 -0.09 0.00 0.71 0.00 0.00 54.79 55.16 3ca8 n ASP 172 Cb 0.38 0.10 0.04 0.00 -0.02 0.00 0.00 41.12 41.63 3ca8 n ASP 172 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ca8 n ALA 173 N -1.32 -1.04 -1.98 2.24 0.00 -0.19 -5.13 120.51 113.09 3ca8 n ALA 173 Ca 0.08 -1.57 -0.42 0.00 0.00 0.00 0.00 53.44 51.52 3ca8 n ALA 173 Cb 0.33 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 3ca8 n ALA 173 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ca8 s PRO 174 N 0.49 4.23 0.30 0.00 0.04 -0.46 -4.19 135.00 135.40 3ca8 s PRO 174 Ca 0.31 2.29 0.15 0.00 0.04 0.00 0.00 61.00 63.80 3ca8 s PRO 174 Cb 0.23 -3.32 0.25 0.00 0.04 0.00 0.00 34.50 31.70 3ca8 s PRO 174 CO -0.22 -0.62 1.53 0.07 0.04 0.00 0.00 177.00 177.80 3ca8 h ARG 175 N 7.32 0.00 -4.99 4.56 0.11 -1.83 -3.44 114.38 116.10 3ca8 h ARG 175 Ca -0.42 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.00 3ca8 h ARG 175 Cb 1.20 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 32.00 3ca8 h ARG 175 CO 0.91 0.51 -0.74 -1.58 0.10 0.00 0.00 179.97 179.18 3ca8 s TRP 176 N -3.16 2.95 0.27 4.08 0.52 -1.26 -0.34 118.94 122.00 3ca8 s TRP 176 Ca 0.02 -1.05 0.08 0.00 0.02 0.00 0.00 56.10 55.17 3ca8 s TRP 176 Cb 0.09 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.29 3ca8 s TRP 176 CO 0.73 -0.59 0.16 -0.51 0.02 0.00 0.00 176.95 176.76 3ca8 s LEU 177 N 1.45 3.62 -0.09 2.99 1.43 -0.42 -4.85 118.68 122.82 3ca8 s LEU 177 Ca 0.05 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 3ca8 s LEU 177 Cb -0.14 -2.16 0.01 0.00 0.03 0.00 0.00 46.19 43.93 3ca8 s LEU 177 CO -0.04 -0.07 -0.16 -0.55 0.23 0.00 0.00 176.35 175.76 3ca8 s SER 178 N -3.82 2.28 -0.46 2.29 0.15 -1.26 -1.04 113.70 111.84 3ca8 s SER 178 Ca 0.34 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.65 3ca8 s SER 178 Cb -0.07 -1.04 0.18 0.00 -1.71 0.00 0.00 66.02 63.38 3ca8 s SER 178 CO 0.24 0.06 0.57 -0.47 1.20 0.00 0.00 173.24 174.83 3ca8 s TYR 179 N 0.67 -0.72 0.12 3.44 5.04 -0.77 -4.90 117.35 120.24 3ca8 s TYR 179 Ca -0.14 -1.00 0.26 0.00 -2.44 0.00 0.00 57.07 53.75 3ca8 s TYR 179 Cb -0.16 -0.11 0.99 0.00 0.35 0.00 0.00 41.96 43.03 3ca8 s TYR 179 CO 0.04 -1.11 1.85 -1.00 -1.34 0.00 0.00 175.55 173.99 3ca8 h PRO 180 N 5.65 0.00 0.00 4.97 0.13 -1.78 -3.38 132.00 137.59 3ca8 h PRO 180 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3ca8 h PRO 180 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3ca8 h PRO 180 CO 0.14 0.18 0.00 0.41 -0.23 0.00 0.00 178.00 178.50 3ca8 n GLY 181 N 0.14 1.99 3.65 1.56 0.00 -1.26 -4.41 105.19 106.86 3ca8 n GLY 181 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 3ca8 n GLY 181 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ca8 s PHE 182 N -2.01 -0.16 -0.34 1.61 -0.12 -1.26 -5.00 117.98 110.69 3ca8 s PHE 182 Ca 0.00 -0.04 -0.02 0.00 -0.05 0.00 0.00 56.93 56.82 3ca8 s PHE 182 Cb 0.00 0.59 0.07 0.00 -0.63 0.00 0.00 43.02 43.05 3ca8 s PHE 182 CO 0.00 -0.59 0.08 0.08 -0.05 0.00 0.00 175.22 174.74 3ca8 s VAL 183 N -3.00 3.14 0.26 -2.49 1.01 -1.26 -4.86 120.40 113.21 3ca8 s VAL 183 Ca 0.11 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.17 3ca8 s VAL 183 Cb 0.00 -2.94 -0.11 0.00 0.00 0.00 0.00 36.38 33.33 3ca8 s VAL 183 CO -0.02 -0.33 1.51 -2.84 0.00 0.00 0.00 175.10 173.42 3ca8 s PRO 184 N 1.22 4.20 -0.02 2.72 0.02 -1.26 -4.94 135.00 136.94 3ca8 s PRO 184 Ca 0.00 2.42 0.01 0.00 0.02 0.00 0.00 61.00 63.45 3ca8 s PRO 184 Cb -0.21 -3.08 0.01 0.00 0.02 0.00 0.00 34.50 31.25 3ca8 s PRO 184 CO -0.02 -0.52 -0.02 -1.14 -0.33 0.00 0.00 177.00 174.98 3ca8 s GLN 185 N -0.33 0.33 0.21 5.54 0.74 -1.26 -4.53 119.66 120.35 3ca8 s GLN 185 Ca 0.62 -0.02 0.07 0.00 0.05 0.00 0.00 55.36 56.08 3ca8 s GLN 185 Cb -0.44 -0.41 -0.04 0.00 1.10 0.00 0.00 33.01 33.21 3ca8 s GLN 185 CO 0.44 -0.04 0.10 -0.51 -0.55 0.00 0.00 175.29 174.73 3ca8 s LEU 186 N 0.55 3.59 0.19 3.68 1.43 -1.26 -0.52 118.68 126.33 3ca8 s LEU 186 Ca -0.06 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 3ca8 s LEU 186 Cb -0.09 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.98 3ca8 s LEU 186 CO -0.01 0.03 0.47 -0.83 0.23 0.00 0.00 176.35 176.25 3ca8 s GLY 187 N -3.36 0.02 0.13 -3.19 0.00 -0.13 -4.78 107.32 96.00 3ca8 s GLY 187 Ca 0.31 -0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.41 3ca8 s GLY 187 CO 0.22 -0.38 0.84 -1.31 0.00 0.00 0.00 173.10 172.47 3ca8 s ASN 188 N -2.89 7.40 -0.13 1.64 0.02 -1.26 -0.89 114.94 118.82 3ca8 s ASN 188 Ca 0.11 1.67 -0.05 0.00 -1.02 0.00 0.00 52.86 53.56 3ca8 s ASN 188 Cb -0.00 -2.53 0.06 0.00 0.02 0.00 0.00 41.25 38.81 3ca8 s ASN 188 CO -0.03 0.09 0.28 0.21 0.02 0.00 0.00 177.10 177.67 3ca8 s ASN 189 N -0.61 0.16 -0.58 -1.22 3.84 0.18 -4.91 114.94 111.80 3ca8 s ASN 189 Ca 0.40 0.63 -0.08 0.00 0.21 0.00 0.00 52.86 54.01 3ca8 s ASN 189 Cb -0.23 0.71 0.01 0.00 -0.55 0.00 0.00 41.25 41.19 3ca8 s ASN 189 CO 0.27 -0.22 0.49 0.00 -2.79 0.00 0.00 177.10 174.85 3ca8 n ALA 190 N 5.12 -2.33 -0.92 1.71 0.00 -1.26 -0.53 120.51 122.30 3ca8 n ALA 190 Ca -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3ca8 n ALA 190 Cb 0.50 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.10 3ca8 n ALA 190 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3ca8 n ASP 191 N -1.46 -0.49 -3.93 0.00 -0.08 -1.26 -4.96 116.55 104.37 3ca8 n ASP 191 Ca -0.21 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 52.95 3ca8 n ASP 191 Cb 0.55 -0.56 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 3ca8 n ASP 191 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 3ca8 s SER 192 N -2.70 0.25 -0.16 1.67 1.04 0.31 -3.78 113.70 110.34 3ca8 s SER 192 Ca 0.00 -1.24 -0.08 0.00 0.48 0.00 0.00 55.95 55.11 3ca8 s SER 192 Cb 0.00 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 3ca8 s SER 192 CO 0.00 -1.04 0.12 -0.69 0.98 0.00 0.00 173.24 172.61 3ca8 s VAL 193 N -3.89 5.36 0.19 5.02 1.01 -0.61 0.51 120.40 127.98 3ca8 s VAL 193 Ca 0.31 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3ca8 s VAL 193 Cb 0.03 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3ca8 s VAL 193 CO 0.13 0.53 0.06 0.27 0.00 0.00 0.00 175.10 176.09 3ca8 s ILE 194 N -0.29 0.39 0.21 2.22 -4.36 -0.07 -4.57 121.20 114.72 3ca8 s ILE 194 Ca 0.11 -1.97 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 3ca8 s ILE 194 Cb -0.12 -2.30 -0.08 0.00 1.25 0.00 0.00 42.46 41.21 3ca8 s ILE 194 CO 0.01 -0.27 0.78 -0.36 0.24 0.00 0.00 174.94 175.34 3ca8 s PHE 195 N -3.87 3.79 -0.16 1.37 0.08 -1.26 -0.95 117.98 116.98 3ca8 s PHE 195 Ca 0.30 1.57 0.16 0.00 0.12 0.00 0.00 56.93 59.08 3ca8 s PHE 195 Cb 0.07 -2.74 0.01 0.00 -0.57 0.00 0.00 43.02 39.80 3ca8 s PHE 195 CO 0.07 0.41 1.27 0.82 -0.10 0.00 0.00 175.22 177.69 3ca8 h ILE 196 N 3.02 0.71 -2.71 0.64 1.08 -1.11 -3.45 117.51 115.69 3ca8 h ILE 196 Ca -0.47 -2.08 -0.53 0.00 -0.39 0.00 0.00 64.86 61.39 3ca8 h ILE 196 Cb 1.20 2.27 0.02 0.00 -3.07 0.00 0.00 36.82 37.24 3ca8 h ILE 196 CO 0.66 0.40 0.98 0.20 -0.69 0.00 0.00 178.15 179.70 3ca8 s ASN 197 N -6.23 6.62 -1.39 1.72 -0.87 -1.25 -4.86 114.94 108.68 3ca8 s ASN 197 Ca 0.02 2.47 -0.12 0.00 -1.57 0.00 0.00 52.86 53.66 3ca8 s ASN 197 Cb 0.08 -2.56 0.09 0.00 -0.02 0.00 0.00 41.25 38.84 3ca8 s ASN 197 CO 0.76 -0.87 2.11 0.00 -2.57 0.00 0.00 177.10 176.53 3ca8 n GLN 198 N 5.51 3.25 -4.52 -0.60 1.13 -1.26 -4.88 117.38 116.02 3ca8 n GLN 198 Ca 0.16 -3.00 -0.21 0.00 -1.94 0.00 0.00 57.00 52.00 3ca8 n GLN 198 Cb 0.41 -3.10 -0.15 0.00 0.11 0.00 0.00 30.24 27.50 3ca8 n GLN 198 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3ca8 s LEU 199 N 1.03 1.89 0.27 1.08 1.43 -1.26 -5.14 118.68 117.98 3ca8 s LEU 199 Ca 0.45 -0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 3ca8 s LEU 199 Cb 0.12 -0.64 -0.09 0.00 0.03 0.00 0.00 46.19 45.61 3ca8 s LEU 199 CO -0.05 0.11 0.74 -1.58 0.23 0.00 0.00 176.35 175.80 3ca8 s GLN 200 N -0.01 4.16 0.00 1.70 0.74 -1.26 -4.35 119.66 120.64 3ca8 s GLN 200 Ca -0.00 0.80 0.00 0.00 0.05 0.00 0.00 55.36 56.21 3ca8 s GLN 200 Cb -0.08 -2.68 0.00 0.00 1.10 0.00 0.00 33.01 31.35 3ca8 s GLN 200 CO 0.00 0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.44 3ca8 n GLY 201 N 0.25 0.84 3.81 2.59 0.00 -1.26 -4.31 105.19 107.11 3ca8 n GLY 201 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3ca8 n GLY 201 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ca8 s LEU 202 N 0.00 3.50 0.56 0.99 1.43 -1.26 -4.13 118.68 119.77 3ca8 s LEU 202 Ca 0.00 1.76 -0.21 0.00 -1.03 0.00 0.00 54.13 54.65 3ca8 s LEU 202 Cb 0.00 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 3ca8 s LEU 202 CO 0.00 -1.06 1.18 0.79 0.23 0.00 0.00 176.35 177.49 3ca8 n TRP 203 N -2.00 1.63 -1.76 0.29 8.01 -1.26 -4.94 117.44 117.41 3ca8 n TRP 203 Ca 0.08 0.45 -0.38 0.00 -1.31 0.00 0.00 57.50 56.34 3ca8 n TRP 203 Cb 0.53 -2.26 0.05 0.00 -2.01 0.00 0.00 31.31 27.61 3ca8 n TRP 203 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 3ca8 s PRO 204 N -2.77 3.03 0.30 -0.99 0.04 -1.26 -4.74 135.00 128.60 3ca8 s PRO 204 Ca 0.73 2.22 0.02 0.00 0.04 0.00 0.00 61.00 64.01 3ca8 s PRO 204 Cb -0.43 -2.18 0.74 0.00 0.04 0.00 0.00 34.50 32.66 3ca8 s PRO 204 CO 0.49 -1.27 1.60 0.28 0.04 0.00 0.00 177.00 178.13 3ca8 h VAL 205 N 1.28 0.14 -0.55 -0.36 2.07 -1.92 0.39 116.25 117.31 3ca8 h VAL 205 Ca -0.51 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.04 3ca8 h VAL 205 Cb 1.31 0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 3ca8 h VAL 205 CO 0.56 0.01 0.27 -0.33 0.02 0.00 0.00 177.57 178.11 3ca8 h GLU 206 N 0.08 0.51 -0.35 1.57 3.07 -1.99 -0.36 114.58 117.11 3ca8 h GLU 206 Ca 0.58 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 59.30 3ca8 h GLU 206 Cb 1.19 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 3ca8 h GLU 206 CO -0.80 0.34 -0.21 -0.09 -1.40 0.00 0.00 179.01 176.85 3ca8 h ARG 207 N 0.52 0.76 -0.27 2.33 9.65 -1.32 -1.74 114.38 124.32 3ca8 h ARG 207 Ca 0.25 -0.35 0.01 0.00 -1.10 0.00 0.00 59.98 58.79 3ca8 h ARG 207 Cb 0.18 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 3ca8 h ARG 207 CO -0.18 0.97 0.16 -0.92 2.80 0.00 0.00 179.97 182.80 3ca8 h TYR 208 N 0.55 0.30 -0.77 2.20 3.20 -0.80 -0.93 116.97 120.72 3ca8 h TYR 208 Ca 0.07 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 3ca8 h TYR 208 Cb 0.76 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3ca8 h TYR 208 CO 0.06 0.18 0.28 -0.07 -1.64 0.00 0.00 178.16 176.97 3ca8 h LEU 209 N 0.33 1.09 -0.57 2.82 3.38 -1.00 0.69 115.31 122.04 3ca8 h LEU 209 Ca 0.10 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3ca8 h LEU 209 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3ca8 h LEU 209 CO -0.05 0.98 0.37 -1.28 0.09 0.00 0.00 178.44 178.56 3ca8 h SER 210 N 1.13 0.64 -0.26 -0.43 0.87 -0.91 0.04 113.55 114.63 3ca8 h SER 210 Ca 0.25 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3ca8 h SER 210 Cb 0.25 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3ca8 h SER 210 CO -0.02 0.46 0.08 -0.07 -0.53 0.00 0.00 176.83 176.76 3ca8 h LEU 211 N 0.76 0.38 -0.35 2.23 3.38 -0.80 -1.52 115.31 119.39 3ca8 h LEU 211 Ca 0.21 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3ca8 h LEU 211 Cb -0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3ca8 h LEU 211 CO -0.05 0.48 -0.05 0.25 0.09 0.00 0.00 178.44 179.16 3ca8 h LEU 212 N 0.26 0.66 -1.02 1.67 6.46 -0.65 -1.75 115.31 120.94 3ca8 h LEU 212 Ca 0.08 -0.34 -0.07 0.00 -0.12 0.00 0.00 57.88 57.43 3ca8 h LEU 212 Cb 0.24 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 3ca8 h LEU 212 CO -0.00 0.85 -0.35 0.71 -0.62 0.00 0.00 178.44 179.02 3ca8 h THR 213 N 0.46 0.86 -0.03 1.05 1.35 -1.03 -3.07 112.91 112.49 3ca8 h THR 213 Ca 0.09 -1.43 -0.12 0.00 -0.55 0.00 0.00 66.41 64.41 3ca8 h THR 213 Cb 0.54 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 3ca8 h THR 213 CO 0.03 0.34 -0.54 1.23 -0.25 0.00 0.00 175.52 176.33 3ca8 h GLY 214 N 1.95 0.11 2.00 5.82 0.00 -0.59 -3.25 103.07 109.10 3ca8 h GLY 214 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 3ca8 h GLY 214 CO 0.05 0.11 -0.57 0.83 0.00 0.00 0.00 176.54 176.96 3ca8 h GLU 215 N 0.08 0.00 0.13 4.80 4.39 -1.24 -3.36 114.58 119.38 3ca8 h GLU 215 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3ca8 h GLU 215 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3ca8 h GLU 215 CO 0.08 0.57 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.36 3ca8 h LEU 216 N 0.00 -0.15 -2.03 1.33 3.38 -1.63 -0.82 115.31 115.40 3ca8 h LEU 216 Ca -0.01 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3ca8 h LEU 216 Cb 1.02 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3ca8 h LEU 216 CO 0.07 0.03 0.04 1.55 0.09 0.00 0.00 178.44 180.22 3ca8 h PRO 217 N -0.32 0.00 -0.20 1.13 0.13 -1.76 -1.51 132.00 129.46 3ca8 h PRO 217 Ca -0.02 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 3ca8 h PRO 217 Cb 0.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 3ca8 h PRO 217 CO 0.03 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 177.63 3ca8 h ARG 218 N 0.00 0.46 -0.13 0.86 3.08 -1.60 -3.22 114.38 113.84 3ca8 h ARG 218 Ca 0.02 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.75 3ca8 h ARG 218 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3ca8 h ARG 218 CO -0.00 0.80 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.30 3ca8 h LEU 219 N 0.14 0.26 -9.25 3.04 3.38 -0.90 0.38 115.31 112.36 3ca8 h LEU 219 Ca 0.04 -0.09 -0.55 0.00 0.09 0.00 0.00 57.88 57.37 3ca8 h LEU 219 Cb 0.70 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3ca8 h LEU 219 CO 0.04 0.58 1.20 -0.60 0.09 0.00 0.00 178.44 179.75 3ca8 s ARG 220 N -4.31 4.02 -1.41 1.13 3.52 -0.59 -4.38 118.95 116.92 3ca8 s ARG 220 Ca -0.05 2.30 -0.13 0.00 -0.13 0.00 0.00 55.73 57.72 3ca8 s ARG 220 Cb 0.14 -4.11 0.07 0.00 -1.56 0.00 0.00 34.95 29.49 3ca8 s ARG 220 CO 0.76 -1.07 2.11 -3.47 -0.81 0.00 0.00 175.30 172.82 3ca8 n ASP 221 N 7.91 4.21 -2.67 -2.12 2.03 -1.26 -3.69 116.55 120.95 3ca8 n ASP 221 Ca 0.20 -2.90 -0.11 0.00 0.52 0.00 0.00 54.79 52.50 3ca8 n ASP 221 Cb 0.43 -1.63 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 3ca8 n ASP 221 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3ca8 n ASP 222 N 5.88 1.73 0.28 1.67 5.68 -1.26 -4.73 116.55 125.79 3ca8 n ASP 222 Ca 0.49 -1.83 0.14 0.00 -0.50 0.00 0.00 54.79 53.09 3ca8 n ASP 222 Cb 0.39 0.28 0.85 0.00 -1.14 0.00 0.00 41.12 41.49 3ca8 n ASP 222 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3ca8 h SER 223 N 0.55 0.00 0.30 -1.12 4.64 -1.89 -1.91 113.55 114.12 3ca8 h SER 223 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3ca8 h SER 223 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3ca8 h SER 223 CO 0.23 0.04 -0.52 0.47 -0.87 0.00 0.00 176.83 176.18 3ca8 n ASP 224 N -3.81 0.85 -4.35 4.97 10.43 -1.26 -4.42 116.55 118.97 3ca8 n ASP 224 Ca -0.03 -0.66 -0.27 0.00 2.57 0.00 0.00 54.79 56.40 3ca8 n ASP 224 Cb 0.13 0.36 0.16 0.00 1.84 0.00 0.00 41.12 43.61 3ca8 n ASP 224 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 3ca8 s GLY 225 N -2.82 1.77 0.00 0.44 0.00 -0.74 -4.82 107.32 101.16 3ca8 s GLY 225 Ca 0.15 -1.43 0.29 0.00 0.00 0.00 0.00 44.72 43.73 3ca8 s GLY 225 CO 0.67 -0.73 1.90 -1.72 0.00 0.00 0.00 173.10 173.21 3ca8 n TYR 226 N -3.40 0.00 -1.44 1.90 4.02 0.12 -1.38 117.16 116.98 3ca8 n TYR 226 Ca 0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.88 3ca8 n TYR 226 Cb 0.60 -0.09 0.11 0.00 -0.02 0.00 0.00 39.34 39.95 3ca8 n TYR 226 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ca8 n GLY 227 N 1.19 -1.44 0.32 2.72 0.00 -1.26 -0.29 105.19 106.43 3ca8 n GLY 227 Ca 0.18 -1.67 0.20 0.00 0.00 0.00 0.00 46.02 44.72 3ca8 n GLY 227 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ca8 h PRO 228 N 0.00 0.00 0.00 1.61 0.11 -1.84 0.14 132.00 132.02 3ca8 h PRO 228 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3ca8 h PRO 228 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3ca8 h PRO 228 CO 0.16 0.01 -0.31 0.54 -0.21 0.00 0.00 178.00 178.20 3ca8 n ARG 229 N -3.20 0.05 0.00 1.05 1.74 -1.26 -4.67 116.66 110.37 3ca8 n ARG 229 Ca -0.02 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3ca8 n ARG 229 Cb 0.14 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3ca8 n ARG 229 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ca8 n GLY 230 N 1.47 1.42 0.17 -0.13 0.00 -0.24 -3.90 105.19 103.97 3ca8 n GLY 230 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3ca8 n GLY 230 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ca8 h ARG 231 N 0.00 0.00 -4.22 1.61 3.08 -1.14 -3.47 114.38 110.24 3ca8 h ARG 231 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3ca8 h ARG 231 Cb 0.00 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.12 3ca8 h ARG 231 CO 0.00 0.00 -0.53 -3.47 -1.07 0.00 0.00 179.97 174.90 3ca8 n ASP 232 N -2.56 -5.49 0.02 7.04 2.03 0.34 -4.92 116.55 113.00 3ca8 n ASP 232 Ca 0.03 -0.31 -0.05 0.00 0.52 0.00 0.00 54.79 54.98 3ca8 n ASP 232 Cb 0.34 -4.25 -0.11 0.00 -0.72 0.00 0.00 41.12 36.38 3ca8 n ASP 232 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 3ca8 h PHE 233 N -1.54 0.00 -3.14 -0.67 0.04 -0.85 -3.47 116.94 107.31 3ca8 h PHE 233 Ca -0.46 0.00 -0.42 0.00 2.80 0.00 0.00 57.97 59.90 3ca8 h PHE 233 Cb 1.31 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 39.32 3ca8 h PHE 233 CO 0.43 0.82 -0.64 0.96 -0.60 0.00 0.00 178.31 179.28 3ca8 s ILE 234 N -2.75 1.10 0.85 -0.55 -4.36 -0.55 -4.54 121.20 110.40 3ca8 s ILE 234 Ca -0.03 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.21 3ca8 s ILE 234 Cb 0.08 -2.52 0.10 0.00 1.25 0.00 0.00 42.46 41.38 3ca8 s ILE 234 CO 0.81 -0.20 1.10 0.68 0.24 0.00 0.00 174.94 177.58 3ca8 s VAL 235 N -3.37 2.79 0.24 8.37 -7.23 -1.05 -3.69 120.40 116.46 3ca8 s VAL 235 Ca 0.32 0.26 -0.31 0.00 -1.81 0.00 0.00 61.98 60.43 3ca8 s VAL 235 Cb 0.07 -2.91 -0.12 0.00 0.56 0.00 0.00 36.38 33.98 3ca8 s VAL 235 CO 0.12 -0.33 1.64 1.57 -0.31 0.00 0.00 175.10 177.78 3ca8 n HIS 236 N -3.64 2.72 -3.94 2.82 -0.00 -1.26 -4.71 115.22 107.21 3ca8 n HIS 236 Ca 0.07 0.17 -0.35 0.00 0.46 0.00 0.00 57.72 58.06 3ca8 n HIS 236 Cb 0.56 -2.62 -0.14 0.00 -0.12 0.00 0.00 29.99 27.67 3ca8 n HIS 236 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 3ca8 s VAL 237 N 0.61 3.49 -0.09 3.57 1.01 -1.26 -5.08 120.40 122.64 3ca8 s VAL 237 Ca 0.71 -0.46 -0.24 0.00 0.00 0.00 0.00 61.98 61.99 3ca8 s VAL 237 Cb -0.53 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 3ca8 s VAL 237 CO 0.40 0.42 0.76 -1.81 0.00 0.00 0.00 175.10 174.87 3ca8 s ASP 238 N 1.41 7.00 -0.30 3.32 1.11 -1.26 -4.65 116.67 123.30 3ca8 s ASP 238 Ca 0.05 1.21 -0.16 0.00 0.18 0.00 0.00 52.55 53.83 3ca8 s ASP 238 Cb -0.14 -2.43 -0.02 0.00 1.07 0.00 0.00 42.92 41.39 3ca8 s ASP 238 CO -0.02 -0.21 0.44 -0.36 1.18 0.00 0.00 175.17 176.20 3ca8 s PHE 239 N 1.21 3.23 0.68 4.23 0.40 -1.26 -5.06 117.98 121.41 3ca8 s PHE 239 Ca 0.39 0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 56.90 3ca8 s PHE 239 Cb -0.18 -2.70 -0.01 0.00 0.51 0.00 0.00 43.02 40.64 3ca8 s PHE 239 CO 0.17 -0.34 0.94 -2.30 0.70 0.00 0.00 175.22 174.39 3ca8 n PRO 240 N 5.48 0.62 -0.36 0.24 -0.02 -1.26 -4.81 135.00 134.88 3ca8 n PRO 240 Ca -0.07 0.26 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 3ca8 n PRO 240 Cb 0.50 -2.18 0.18 0.00 -0.02 0.00 0.00 33.50 31.98 3ca8 n PRO 240 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ca8 h ALA 241 N -0.03 1.41 -0.05 3.55 0.00 -1.99 -2.13 119.26 120.00 3ca8 h ALA 241 Ca -0.48 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 3ca8 h ALA 241 Cb 1.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3ca8 h ALA 241 CO 0.48 0.46 -0.47 1.05 0.00 0.00 0.00 179.25 180.77 3ca8 h GLU 242 N 1.18 0.13 -0.27 0.00 4.11 -1.99 -0.93 114.58 116.80 3ca8 h GLU 242 Ca 0.42 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.72 3ca8 h GLU 242 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3ca8 h GLU 242 CO -0.16 0.57 -0.08 0.28 0.07 0.00 0.00 179.01 179.69 3ca8 h VAL 243 N 0.11 1.29 -0.03 -1.06 2.07 -1.82 -0.97 116.25 115.83 3ca8 h VAL 243 Ca 0.00 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.42 3ca8 h VAL 243 Cb 0.87 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3ca8 h VAL 243 CO 0.07 0.35 -0.08 0.40 0.02 0.00 0.00 177.57 178.34 3ca8 h ILE 244 N 0.29 0.79 -0.74 4.57 2.04 -1.03 -0.09 117.51 123.35 3ca8 h ILE 244 Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3ca8 h ILE 244 Cb 0.57 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3ca8 h ILE 244 CO 0.03 0.00 0.42 -0.74 0.00 0.00 0.00 178.15 177.86 3ca8 h HIS 245 N -0.12 0.76 -0.29 1.37 2.76 -1.19 -1.53 115.15 116.92 3ca8 h HIS 245 Ca 0.04 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 3ca8 h HIS 245 Cb 0.17 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 3ca8 h HIS 245 CO -0.16 0.35 0.16 0.00 -1.30 0.00 0.00 177.93 176.98 3ca8 h ALA 246 N 1.39 0.37 -0.63 5.26 0.00 -0.87 -0.83 119.26 123.94 3ca8 h ALA 246 Ca 0.34 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.29 3ca8 h ALA 246 Cb 0.25 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 3ca8 h ALA 246 CO -0.21 -0.10 0.21 2.35 0.00 0.00 0.00 179.25 181.50 3ca8 h TRP 247 N 0.35 0.36 -0.47 0.00 2.91 -0.52 -0.90 115.95 117.68 3ca8 h TRP 247 Ca 0.10 0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.07 3ca8 h TRP 247 Cb 0.06 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.62 3ca8 h TRP 247 CO -0.03 0.05 -0.05 1.96 -1.03 0.00 0.00 178.44 179.34 3ca8 h GLN 248 N 0.37 0.82 -0.65 2.65 1.08 -0.84 -1.37 115.11 117.17 3ca8 h GLN 248 Ca 0.33 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3ca8 h GLN 248 Cb 0.45 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 3ca8 h GLN 248 CO -0.36 0.86 0.39 1.15 -0.95 0.00 0.00 178.83 179.92 3ca8 h THR 249 N 0.75 1.18 -0.18 -0.54 2.02 -0.40 -2.41 112.91 113.33 3ca8 h THR 249 Ca 0.14 -0.40 -0.14 0.00 0.77 0.00 0.00 66.41 66.78 3ca8 h THR 249 Cb 0.53 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3ca8 h THR 249 CO 0.03 0.19 -0.44 -0.07 0.37 0.00 0.00 175.52 175.60 3ca8 h LEU 250 N 0.89 0.70 -2.55 2.58 3.38 -0.61 -2.75 115.31 116.95 3ca8 h LEU 250 Ca 0.23 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.64 3ca8 h LEU 250 Cb -0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3ca8 h LEU 250 CO -0.04 1.14 0.05 0.11 0.09 0.00 0.00 178.44 179.79 3ca8 h LYS 251 N 0.28 0.00 -0.27 1.13 1.57 -1.06 -2.91 116.57 115.32 3ca8 h LYS 251 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ca8 h LYS 251 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3ca8 h LYS 251 CO 0.10 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.70 3ca8 n HIS 252 N -3.58 0.35 -2.96 -1.35 8.25 -0.93 -4.88 115.22 110.12 3ca8 n HIS 252 Ca -0.02 -0.36 -0.43 0.00 -0.26 0.00 0.00 57.72 56.65 3ca8 n HIS 252 Cb 0.14 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.18 3ca8 n HIS 252 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3ca8 s ASP 253 N -0.99 6.34 0.29 0.41 3.68 -1.05 -4.93 116.67 120.42 3ca8 s ASP 253 Ca 0.21 -0.37 0.14 0.00 2.13 0.00 0.00 52.55 54.67 3ca8 s ASP 253 Cb 0.12 -2.38 0.35 0.00 -1.45 0.00 0.00 42.92 39.56 3ca8 s ASP 253 CO 0.16 -1.02 1.58 0.00 0.13 0.00 0.00 175.17 176.03 3ca8 h ALA 254 N 9.10 0.83 -0.26 3.66 0.00 -1.89 -2.49 119.26 128.21 3ca8 h ALA 254 Ca -0.26 -0.51 -0.09 0.00 0.00 0.00 0.00 54.91 54.05 3ca8 h ALA 254 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3ca8 h ALA 254 CO 1.00 0.70 -0.19 0.28 0.00 0.00 0.00 179.25 181.04 3ca8 h VAL 255 N 0.00 1.31 -0.34 0.00 2.07 -1.98 -2.43 116.25 114.88 3ca8 h VAL 255 Ca -0.01 -1.31 0.01 0.00 0.82 0.00 0.00 66.70 66.21 3ca8 h VAL 255 Cb 1.17 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 3ca8 h VAL 255 CO 0.07 0.41 0.20 0.25 0.02 0.00 0.00 177.57 178.53 3ca8 h LEU 256 N 0.32 0.33 -0.29 2.57 5.85 -1.92 -2.36 115.31 119.80 3ca8 h LEU 256 Ca 0.05 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ca8 h LEU 256 Cb 0.72 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3ca8 h LEU 256 CO 0.05 0.24 0.14 0.40 -0.34 0.00 0.00 178.44 178.93 3ca8 h ILE 257 N 0.41 1.16 -0.13 4.05 2.04 -1.40 -0.94 117.51 122.71 3ca8 h ILE 257 Ca 0.13 -0.46 0.03 0.00 1.00 0.00 0.00 64.86 65.56 3ca8 h ILE 257 Cb -0.01 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3ca8 h ILE 257 CO -0.05 0.16 -0.07 -0.08 0.00 0.00 0.00 178.15 178.11 3ca8 h GLU 258 N 0.34 -0.07 -0.97 2.37 4.81 -1.41 -0.39 114.58 119.27 3ca8 h GLU 258 Ca 0.10 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.45 3ca8 h GLU 258 Cb 0.14 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.45 3ca8 h GLU 258 CO -0.01 -0.04 0.62 0.00 -0.73 0.00 0.00 179.01 178.84 3ca8 h ALA 259 N 1.04 1.56 -0.10 2.92 0.00 -1.14 0.32 119.26 123.87 3ca8 h ALA 259 Ca 0.08 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.76 3ca8 h ALA 259 Cb 0.18 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3ca8 h ALA 259 CO -0.17 0.22 -0.87 0.52 0.00 0.00 0.00 179.25 178.94 3ca8 h MET 260 N 0.97 0.75 -0.02 0.00 2.86 -0.78 -3.26 114.93 115.45 3ca8 h MET 260 Ca 0.47 -0.68 -0.18 0.00 -2.06 0.00 0.00 59.70 57.25 3ca8 h MET 260 Cb 0.46 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3ca8 h MET 260 CO -0.23 1.27 -0.77 0.93 1.06 0.00 0.00 176.91 179.17 3ca8 h GLU 261 N 0.48 0.20 0.00 1.72 5.08 -0.52 -3.07 114.58 118.46 3ca8 h GLU 261 Ca -0.08 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3ca8 h GLU 261 Cb 1.51 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 3ca8 h GLU 261 CO 0.18 0.88 -0.04 0.77 -1.00 0.00 0.00 179.01 179.79 3ca8 h SER 262 N 0.13 0.00 -0.01 1.42 0.02 -0.48 -3.51 113.55 111.11 3ca8 h SER 262 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3ca8 h SER 262 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 3ca8 h SER 262 CO 0.12 0.04 0.00 0.54 -1.14 0.00 0.00 176.83 176.39