#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfa n LYS 67 N 0.00 0.40 0.22 -1.46 4.76 -1.26 -2.75 118.16 118.07 3cfa n LYS 67 Ca 0.00 0.03 0.09 0.00 -2.87 0.00 0.00 58.31 55.57 3cfa n LYS 67 Cb 0.00 -1.50 0.48 0.00 -1.84 0.00 0.00 35.03 32.17 3cfa n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3cfa h THR 68 N 0.00 0.64 -2.93 -0.18 2.02 -2.03 -3.37 112.91 107.06 3cfa h THR 68 Ca 0.00 -1.10 -0.80 0.00 0.77 0.00 0.00 66.41 65.28 3cfa h THR 68 Cb 0.24 1.72 -0.27 0.00 -1.74 0.00 0.00 68.15 68.10 3cfa h THR 68 CO 0.00 0.24 0.81 0.49 0.37 0.00 0.00 175.52 177.43 3cfa n PHE 69 N -3.48 2.93 -4.48 3.16 3.72 -1.11 -4.89 117.46 113.31 3cfa n PHE 69 Ca -0.00 -2.87 -0.22 0.00 -0.05 0.00 0.00 57.45 54.31 3cfa n PHE 69 Cb 0.41 -1.41 -0.16 0.00 -0.94 0.00 0.00 39.48 37.39 3cfa n PHE 69 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3cfa s ILE 70 N -2.23 0.92 -0.42 4.37 1.01 -1.26 -4.42 121.20 119.18 3cfa s ILE 70 Ca 0.32 -0.42 -0.25 0.00 0.00 0.00 0.00 60.65 60.30 3cfa s ILE 70 Cb 0.02 -0.81 0.02 0.00 0.01 0.00 0.00 42.46 41.70 3cfa s ILE 70 CO 0.06 0.28 0.87 -0.75 0.00 0.00 0.00 174.94 175.41 3cfa s LYS 71 N 0.23 3.63 -0.23 2.79 2.20 -0.75 -4.94 119.74 122.67 3cfa s LYS 71 Ca -0.04 0.25 -0.16 0.00 -0.36 0.00 0.00 55.97 55.66 3cfa s LYS 71 Cb -0.10 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.31 3cfa s LYS 71 CO 0.01 -1.06 0.40 0.71 -0.36 0.00 0.00 175.35 175.05 3cfa s TYR 72 N 3.48 3.32 0.43 4.03 1.51 -1.26 -0.54 117.35 128.31 3cfa s TYR 72 Ca 0.35 0.54 0.07 0.00 -1.01 0.00 0.00 57.07 57.03 3cfa s TYR 72 Cb -0.11 -2.56 -0.02 0.00 -0.11 0.00 0.00 41.96 39.16 3cfa s TYR 72 CO 0.22 -0.12 0.35 0.14 -1.11 0.00 0.00 175.55 175.04 3cfa s VAL 73 N 1.68 2.50 -1.82 0.71 -7.23 -0.66 -4.71 120.40 110.87 3cfa s VAL 73 Ca 0.18 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 3cfa s VAL 73 Cb -0.15 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.87 3cfa s VAL 73 CO 0.09 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 173.68 3cfa n SER 74 N -1.52 -5.15 -0.31 4.85 7.64 -1.26 -2.52 113.62 115.34 3cfa n SER 74 Ca 0.03 0.28 -0.04 0.00 1.01 0.00 0.00 58.87 60.14 3cfa n SER 74 Cb 0.62 -4.46 -0.02 0.00 -1.01 0.00 0.00 64.21 59.35 3cfa n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfa n GLY 75 N -0.62 0.68 3.69 0.23 0.00 -1.26 -4.98 105.19 102.92 3cfa n GLY 75 Ca -0.20 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 3cfa n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cfa s ILE 76 N -2.02 3.18 0.41 -0.61 1.01 -1.05 -4.96 121.20 117.17 3cfa s ILE 76 Ca 0.00 0.58 -0.26 0.00 0.00 0.00 0.00 60.65 60.97 3cfa s ILE 76 Cb 0.00 -3.37 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 3cfa s ILE 76 CO 0.00 -0.01 1.28 -2.65 0.00 0.00 0.00 174.94 173.56 3cfa n PRO 77 N 5.77 1.97 -3.36 2.79 -0.02 -1.26 -4.81 135.00 136.07 3cfa n PRO 77 Ca 0.16 0.70 -0.45 0.00 -2.02 0.00 0.00 63.50 61.88 3cfa n PRO 77 Cb 0.41 -2.38 -0.04 0.00 -0.02 0.00 0.00 33.50 31.47 3cfa n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3cfa s ASP 78 N -0.50 6.35 0.42 2.55 -1.08 -1.26 -4.57 116.67 118.58 3cfa s ASP 78 Ca 0.60 -2.26 0.15 0.00 -0.52 0.00 0.00 52.55 50.51 3cfa s ASP 78 Cb -0.51 -2.17 1.02 0.00 -1.46 0.00 0.00 42.92 39.80 3cfa s ASP 78 CO 0.59 -0.69 1.92 0.22 0.52 0.00 0.00 175.17 177.73 3cfa h TYR 79 N 8.25 0.51 0.00 -5.34 3.20 -1.93 -1.63 116.97 120.03 3cfa h TYR 79 Ca -0.09 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 3cfa h TYR 79 Cb 1.06 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3cfa h TYR 79 CO 0.86 0.20 -0.33 0.74 -1.64 0.00 0.00 178.16 177.99 3cfa h PHE 80 N 0.45 0.00 -0.44 -3.82 0.04 -1.91 -3.14 116.94 108.12 3cfa h PHE 80 Ca 0.36 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.09 3cfa h PHE 80 Cb 0.78 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 3cfa h PHE 80 CO -0.00 1.13 0.09 0.87 -0.60 0.00 0.00 178.31 179.80 3cfa h LYS 81 N -1.00 0.66 0.00 1.51 1.57 -1.87 -1.96 116.57 115.48 3cfa h LYS 81 Ca -0.09 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3cfa h LYS 81 Cb 1.08 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 3cfa h LYS 81 CO -0.06 0.61 -0.01 1.96 -0.57 0.00 0.00 179.45 181.39 3cfa h GLN 82 N 0.64 0.00 0.00 3.15 4.20 -1.40 -2.99 115.11 118.71 3cfa h GLN 82 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3cfa h GLN 82 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3cfa h GLN 82 CO -0.00 0.01 0.00 0.77 -0.67 0.00 0.00 178.83 178.93 3cfa h SER 83 N 0.00 0.00 -4.04 1.46 0.02 -1.29 -3.45 113.55 106.24 3cfa h SER 83 Ca -0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3cfa h SER 83 Cb 0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.57 3cfa h SER 83 CO 0.00 0.00 0.38 -0.36 -1.14 0.00 0.00 176.83 175.71 3cfa s PHE 84 N -3.29 3.13 -0.98 3.45 0.08 -1.13 -1.14 117.98 118.11 3cfa s PHE 84 Ca 0.06 1.60 0.29 0.00 0.12 0.00 0.00 56.93 59.00 3cfa s PHE 84 Cb 0.07 -3.03 1.19 0.00 -0.57 0.00 0.00 43.02 40.67 3cfa s PHE 84 CO 0.63 -0.61 1.90 -0.35 -0.10 0.00 0.00 175.22 176.70 3cfa n PRO 85 N -0.68 0.02 -0.23 0.24 -0.04 -1.26 -4.84 135.00 128.20 3cfa n PRO 85 Ca 0.08 0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 3cfa n PRO 85 Cb 0.52 -1.53 0.21 0.00 -0.04 0.00 0.00 33.50 32.66 3cfa n PRO 85 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3cfa h GLU 86 N 0.00 1.03 0.00 0.54 3.07 -1.80 -3.39 114.58 114.03 3cfa h GLU 86 Ca 0.00 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 3cfa h GLU 86 Cb 0.52 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3cfa h GLU 86 CO 0.00 0.72 0.00 0.41 -1.40 0.00 0.00 179.01 178.74 3cfa n GLY 87 N -1.31 -1.79 3.76 -3.84 0.00 -0.29 -4.81 105.19 96.92 3cfa n GLY 87 Ca 0.08 -1.66 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 3cfa n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cfa s PHE 88 N 0.00 0.05 0.29 1.61 -0.12 -0.88 -1.41 117.98 117.52 3cfa s PHE 88 Ca 0.00 -0.48 0.06 0.00 -0.05 0.00 0.00 56.93 56.46 3cfa s PHE 88 Cb 0.00 0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 42.85 3cfa s PHE 88 CO 0.00 -1.17 -0.03 0.95 -0.05 0.00 0.00 175.22 174.91 3cfa s THR 89 N -3.83 1.55 0.05 -4.49 -4.23 0.37 -0.48 115.64 104.58 3cfa s THR 89 Ca 0.16 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.55 3cfa s THR 89 Cb -0.04 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 3cfa s THR 89 CO 0.08 -0.24 0.01 -1.66 -0.54 0.00 0.00 174.62 172.27 3cfa s TRP 90 N -3.07 0.42 0.01 3.99 1.48 -0.54 -0.69 118.94 120.54 3cfa s TRP 90 Ca 0.31 -0.90 -0.01 0.00 -1.06 0.00 0.00 56.10 54.44 3cfa s TRP 90 Cb 0.05 -0.31 -0.01 0.00 -1.16 0.00 0.00 33.47 32.05 3cfa s TRP 90 CO 0.13 -0.38 0.02 -1.83 -4.06 0.00 0.00 176.95 170.83 3cfa s GLU 91 N -3.51 0.24 -0.19 3.25 -1.05 -0.55 -0.47 118.70 116.42 3cfa s GLU 91 Ca 0.03 -0.35 -0.25 0.00 -0.15 0.00 0.00 54.97 54.26 3cfa s GLU 91 Cb 0.05 0.09 0.06 0.00 -0.44 0.00 0.00 34.13 33.89 3cfa s GLU 91 CO -0.09 -0.04 0.65 0.50 0.95 0.00 0.00 175.26 177.23 3cfa s ARG 92 N -0.92 0.84 -0.12 -4.83 3.52 -0.64 -1.42 118.95 115.37 3cfa s ARG 92 Ca -0.10 0.70 0.03 0.00 -0.13 0.00 0.00 55.73 56.22 3cfa s ARG 92 Cb -0.06 0.40 0.01 0.00 -1.56 0.00 0.00 34.95 33.74 3cfa s ARG 92 CO -0.00 -0.16 -0.22 0.99 -0.81 0.00 0.00 175.30 175.11 3cfa s THR 93 N -0.12 1.98 -0.24 4.11 2.01 -0.89 -1.11 115.64 121.38 3cfa s THR 93 Ca -0.03 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 60.93 3cfa s THR 93 Cb -0.03 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.69 3cfa s THR 93 CO 0.03 0.54 0.11 -0.89 -0.69 0.00 0.00 174.62 173.72 3cfa s THR 94 N 0.70 4.77 -0.24 -0.82 2.01 0.48 -1.48 115.64 121.07 3cfa s THR 94 Ca -0.10 -0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.80 3cfa s THR 94 Cb -0.16 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 3cfa s THR 94 CO 0.01 0.34 0.09 0.42 -0.69 0.00 0.00 174.62 174.79 3cfa s THR 95 N 1.33 4.58 0.15 -0.82 -4.23 -0.28 -0.78 115.64 115.59 3cfa s THR 95 Ca 0.06 -0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.40 3cfa s THR 95 Cb -0.15 -3.13 -0.06 0.00 1.34 0.00 0.00 72.50 70.50 3cfa s THR 95 CO 0.05 0.36 0.44 -0.31 -0.54 0.00 0.00 174.62 174.62 3cfa s TYR 96 N 1.32 3.50 0.02 3.99 2.02 0.30 -1.19 117.35 127.31 3cfa s TYR 96 Ca 0.05 0.75 0.32 0.00 -0.37 0.00 0.00 57.07 57.82 3cfa s TYR 96 Cb -0.15 -2.15 1.38 0.00 -0.40 0.00 0.00 41.96 40.65 3cfa s TYR 96 CO 0.04 0.42 1.95 1.05 -1.57 0.00 0.00 175.55 177.44 3cfa h GLU 97 N 3.08 0.00 -0.53 -0.62 4.11 -1.63 -2.19 114.58 116.80 3cfa h GLU 97 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3cfa h GLU 97 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3cfa h GLU 97 CO 0.69 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.37 3cfa n ASP 98 N -2.87 3.05 0.00 3.06 5.75 -1.26 -4.94 116.55 119.34 3cfa n ASP 98 Ca 0.01 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 3cfa n ASP 98 Cb 0.26 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3cfa n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cfa n GLY 99 N 1.41 0.71 3.78 6.12 0.00 -0.82 -4.59 105.19 111.80 3cfa n GLY 99 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3cfa n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfa s GLY 100 N -1.92 2.45 -0.02 -0.02 0.00 -1.20 -4.61 107.32 101.99 3cfa s GLY 100 Ca 0.00 0.70 0.02 0.00 0.00 0.00 0.00 44.72 45.44 3cfa s GLY 100 CO 0.00 1.05 -0.09 -1.36 0.00 0.00 0.00 173.10 172.70 3cfa s PHE 101 N -2.00 0.92 -0.19 1.90 0.08 -0.35 -0.54 117.98 117.80 3cfa s PHE 101 Ca 0.70 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.53 3cfa s PHE 101 Cb -0.22 -0.65 0.05 0.00 -0.57 0.00 0.00 43.02 41.63 3cfa s PHE 101 CO 0.32 -0.09 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.12 3cfa s LEU 102 N 0.14 2.01 -0.08 -0.37 1.98 0.04 -1.14 118.68 121.25 3cfa s LEU 102 Ca -0.02 -0.87 0.01 0.00 -2.89 0.00 0.00 54.13 50.36 3cfa s LEU 102 Cb -0.08 -1.04 -0.03 0.00 0.66 0.00 0.00 46.19 45.70 3cfa s LEU 102 CO 0.00 -0.20 -0.08 -0.89 -1.89 0.00 0.00 176.35 173.30 3cfa s THR 103 N 1.52 3.60 -0.00 3.68 2.01 0.33 -0.39 115.64 126.39 3cfa s THR 103 Ca -0.02 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 3cfa s THR 103 Cb -0.17 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.86 3cfa s THR 103 CO -0.07 0.58 0.10 0.00 -0.69 0.00 0.00 174.62 174.53 3cfa s ALA 104 N -0.58 -0.22 -0.04 7.40 0.00 -0.27 -0.56 121.76 127.50 3cfa s ALA 104 Ca 0.09 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.94 3cfa s ALA 104 Cb -0.12 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 3cfa s ALA 104 CO 0.02 -0.17 -0.19 -1.58 0.00 0.00 0.00 175.76 173.84 3cfa s HIS 105 N -1.15 1.84 -0.00 0.00 2.46 -0.71 -1.62 115.29 116.10 3cfa s HIS 105 Ca -0.12 -0.49 0.04 0.00 0.47 0.00 0.00 55.06 54.96 3cfa s HIS 105 Cb -0.07 -1.22 -0.01 0.00 -0.13 0.00 0.00 32.58 31.15 3cfa s HIS 105 CO 0.01 -0.14 -0.12 -1.14 -2.47 0.00 0.00 174.74 170.87 3cfa s GLN 106 N -0.11 0.98 -0.12 2.88 -0.44 0.38 -1.15 119.66 122.08 3cfa s GLN 106 Ca -0.01 -0.49 0.02 0.00 -2.50 0.00 0.00 55.36 52.38 3cfa s GLN 106 Cb -0.11 -0.95 -0.01 0.00 -1.64 0.00 0.00 33.01 30.30 3cfa s GLN 106 CO 0.02 0.26 -0.19 0.34 0.50 0.00 0.00 175.29 176.22 3cfa s ASP 107 N -0.43 3.52 -0.17 6.67 -1.08 -0.22 -1.46 116.67 123.49 3cfa s ASP 107 Ca 0.04 -0.46 -0.00 0.00 -0.52 0.00 0.00 52.55 51.61 3cfa s ASP 107 Cb -0.05 -1.51 0.00 0.00 -1.46 0.00 0.00 42.92 39.90 3cfa s ASP 107 CO -0.00 0.15 -0.15 -0.89 0.52 0.00 0.00 175.17 174.80 3cfa s THR 108 N 0.42 2.57 0.16 1.71 2.01 0.37 -1.40 115.64 121.46 3cfa s THR 108 Ca -0.14 -0.79 0.06 0.00 0.31 0.00 0.00 61.69 61.14 3cfa s THR 108 Cb -0.17 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.20 3cfa s THR 108 CO 0.06 0.51 -0.13 -0.94 -0.69 0.00 0.00 174.62 173.43 3cfa s SER 109 N 1.08 2.13 -0.30 3.53 1.04 -0.36 -2.07 113.70 118.76 3cfa s SER 109 Ca -0.00 -0.95 -0.07 0.00 0.48 0.00 0.00 55.95 55.41 3cfa s SER 109 Cb -0.14 -0.07 0.01 0.00 0.10 0.00 0.00 66.02 65.92 3cfa s SER 109 CO -0.05 -0.21 0.08 -0.22 0.98 0.00 0.00 173.24 173.82 3cfa s LEU 110 N -2.98 3.90 -0.65 2.42 2.96 -1.26 -0.29 118.68 122.78 3cfa s LEU 110 Ca 0.16 -0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 53.24 3cfa s LEU 110 Cb -0.01 -1.87 0.17 0.00 0.50 0.00 0.00 46.19 44.98 3cfa s LEU 110 CO 0.03 -0.21 0.49 -0.62 -1.32 0.00 0.00 176.35 174.72 3cfa s ASP 111 N 1.48 5.52 0.88 3.68 2.15 -1.26 -4.96 116.67 124.16 3cfa s ASP 111 Ca 0.02 -2.77 0.00 0.00 0.43 0.00 0.00 52.55 50.23 3cfa s ASP 111 Cb -0.18 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 3cfa s ASP 111 CO 0.02 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 3cfa n GLY 112 N 3.65 0.72 2.73 2.66 0.00 -1.26 -4.74 105.19 108.96 3cfa n GLY 112 Ca 0.08 0.48 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 3cfa n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cfa n ASP 113 N 8.13 6.08 -3.91 1.61 5.75 -1.26 -5.20 116.55 127.74 3cfa n ASP 113 Ca 0.00 -3.75 -0.19 0.00 -0.01 0.00 0.00 54.79 50.83 3cfa n ASP 113 Cb 0.00 -0.80 -0.16 0.00 -1.03 0.00 0.00 41.12 39.13 3cfa n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3cfa s LEU 115 N -3.84 1.47 -0.16 -2.12 1.43 -1.26 -5.20 118.68 109.00 3cfa s LEU 115 Ca 0.48 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3cfa s LEU 115 Cb 0.36 -0.42 0.00 0.00 0.03 0.00 0.00 46.19 46.16 3cfa s LEU 115 CO -0.25 -0.03 -0.15 -0.69 0.23 0.00 0.00 176.35 175.46 3cfa s VAL 116 N 0.69 2.61 -0.13 -1.59 1.01 0.60 -4.95 120.40 118.64 3cfa s VAL 116 Ca -0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3cfa s VAL 116 Cb -0.12 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3cfa s VAL 116 CO 0.00 0.51 -0.09 -0.31 0.00 0.00 0.00 175.10 175.22 3cfa s TYR 117 N 0.92 2.91 -0.16 5.22 2.02 -1.26 -1.23 117.35 125.77 3cfa s TYR 117 Ca -0.03 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3cfa s TYR 117 Cb -0.15 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3cfa s TYR 117 CO -0.02 -0.07 -0.18 0.15 -1.57 0.00 0.00 175.55 173.86 3cfa s LYS 118 N 0.21 2.75 -0.05 -0.62 1.02 -0.50 -4.98 119.74 117.58 3cfa s LYS 118 Ca -0.05 -0.74 0.06 0.00 0.02 0.00 0.00 55.97 55.26 3cfa s LYS 118 Cb -0.15 -2.39 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3cfa s LYS 118 CO 0.04 -0.20 -0.24 0.08 -0.92 0.00 0.00 175.35 174.12 3cfa s VAL 119 N 1.30 1.93 -0.06 3.17 1.01 -1.26 -1.06 120.40 125.44 3cfa s VAL 119 Ca 0.04 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.06 3cfa s VAL 119 Cb -0.13 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3cfa s VAL 119 CO -0.11 0.54 -0.21 -0.54 0.00 0.00 0.00 175.10 174.78 3cfa s LYS 120 N -0.17 2.57 -0.05 2.72 -0.14 -0.30 -5.00 119.74 119.37 3cfa s LYS 120 Ca -0.02 -0.83 0.03 0.00 -1.36 0.00 0.00 55.97 53.79 3cfa s LYS 120 Cb -0.13 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.77 3cfa s LYS 120 CO 0.03 0.45 -0.14 0.42 -0.76 0.00 0.00 175.35 175.34 3cfa s ILE 121 N -0.31 1.26 -0.16 2.17 -1.09 -1.26 -1.74 121.20 120.07 3cfa s ILE 121 Ca 0.01 -0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 57.83 3cfa s ILE 121 Cb -0.13 -1.11 0.04 0.00 -1.58 0.00 0.00 42.46 39.69 3cfa s ILE 121 CO 0.02 0.37 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.33 3cfa s LEU 122 N 0.30 1.36 -0.02 2.97 1.43 0.28 -5.01 118.68 119.99 3cfa s LEU 122 Ca -0.08 -0.61 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 3cfa s LEU 122 Cb -0.13 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 3cfa s LEU 122 CO 0.03 -0.22 -0.19 -0.83 0.23 0.00 0.00 176.35 175.37 3cfa s GLY 123 N 1.74 1.45 0.20 -3.19 0.00 -1.26 -0.51 107.32 105.75 3cfa s GLY 123 Ca 0.01 -1.08 -0.14 0.00 0.00 0.00 0.00 44.72 43.51 3cfa s GLY 123 CO -0.07 -0.90 0.45 0.54 0.00 0.00 0.00 173.10 173.12 3cfa s ASN 124 N -0.87 -0.14 -1.55 1.64 2.20 -0.29 -4.95 114.94 110.98 3cfa s ASN 124 Ca 0.12 -0.69 0.00 0.00 -0.94 0.00 0.00 52.86 51.35 3cfa s ASN 124 Cb -0.10 0.55 0.00 0.00 -2.00 0.00 0.00 41.25 39.69 3cfa s ASN 124 CO 0.01 -1.04 0.00 0.59 -2.94 0.00 0.00 177.10 173.72 3cfa n ASN 125 N -0.32 -5.40 -4.70 3.54 3.02 -1.26 -1.21 115.26 108.93 3cfa n ASN 125 Ca -0.07 0.36 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 3cfa n ASN 125 Cb 0.62 -4.18 -0.03 0.00 -0.61 0.00 0.00 39.78 35.59 3cfa n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3cfa s PHE 126 N -2.33 3.07 0.34 3.10 0.08 -1.26 -3.25 117.98 117.73 3cfa s PHE 126 Ca 0.00 0.93 -0.29 0.00 0.12 0.00 0.00 56.93 57.69 3cfa s PHE 126 Cb 0.00 -3.63 -0.11 0.00 -0.57 0.00 0.00 43.02 38.70 3cfa s PHE 126 CO 0.00 -2.26 1.53 -2.14 -0.10 0.00 0.00 175.22 172.25 3cfa s PRO 127 N 1.77 4.12 0.38 0.24 0.02 -1.26 -4.89 135.00 135.38 3cfa s PRO 127 Ca 0.63 2.57 0.06 0.00 0.02 0.00 0.00 61.00 64.29 3cfa s PRO 127 Cb -0.33 -2.99 0.79 0.00 0.02 0.00 0.00 34.50 31.98 3cfa s PRO 127 CO 0.28 -0.57 2.01 0.00 -0.33 0.00 0.00 177.00 178.39 3cfa h ALA 128 N 3.75 1.70 -0.22 -1.55 0.00 -1.98 -2.16 119.26 118.81 3cfa h ALA 128 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3cfa h ALA 128 Cb 1.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3cfa h ALA 128 CO 0.70 0.23 0.00 -0.40 0.00 0.00 0.00 179.25 179.79 3cfa n ASP 129 N -4.47 2.27 -4.89 0.00 5.75 -1.26 -4.21 116.55 109.74 3cfa n ASP 129 Ca 0.07 -1.80 -0.29 0.00 -0.01 0.00 0.00 54.79 52.76 3cfa n ASP 129 Cb 0.14 -0.14 0.04 0.00 -1.03 0.00 0.00 41.12 40.14 3cfa n ASP 129 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3cfa s GLY 130 N -1.58 1.62 0.53 6.12 0.00 -0.81 -4.84 107.32 108.35 3cfa s GLY 130 Ca 0.34 -0.46 0.21 0.00 0.00 0.00 0.00 44.72 44.82 3cfa s GLY 130 CO 0.28 -0.11 2.16 -0.56 0.00 0.00 0.00 173.10 174.87 3cfa h PRO 131 N -0.50 0.00 0.40 2.90 0.13 -1.92 -0.50 132.00 132.50 3cfa h PRO 131 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 3cfa h PRO 131 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3cfa h PRO 131 CO 0.63 0.04 -0.19 0.28 -0.23 0.00 0.00 178.00 178.52 3cfa h VAL 132 N 0.00 0.50 0.00 1.56 2.07 -1.93 0.16 116.25 118.61 3cfa h VAL 132 Ca -0.00 -0.55 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 3cfa h VAL 132 Cb 0.07 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3cfa h VAL 132 CO 0.00 0.08 -0.46 0.24 0.02 0.00 0.00 177.57 177.46 3cfa h MET 133 N -0.90 0.00 -0.00 1.57 2.86 -1.72 -2.53 114.93 114.21 3cfa h MET 133 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3cfa h MET 133 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3cfa h MET 133 CO 0.09 0.46 -0.05 1.04 1.06 0.00 0.00 176.91 179.50 3cfa n GLN 134 N -3.42 0.50 -3.70 1.72 1.13 -0.21 -4.94 117.38 108.46 3cfa n GLN 134 Ca 0.01 -0.08 -0.24 0.00 -1.94 0.00 0.00 57.00 54.75 3cfa n GLN 134 Cb 0.61 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.51 3cfa n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3cfa n ASN 135 N -1.18 -3.42 -0.54 1.08 2.85 -0.72 -4.92 115.26 108.41 3cfa n ASN 135 Ca 0.14 -0.72 0.06 0.00 -0.11 0.00 0.00 54.58 53.95 3cfa n ASN 135 Cb 0.26 -4.38 0.20 0.00 1.24 0.00 0.00 39.78 37.10 3cfa n ASN 135 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3cfa n LYS 136 N -4.52 1.54 -3.10 1.20 5.02 -0.03 -5.04 118.16 113.23 3cfa n LYS 136 Ca -0.14 -3.21 -0.33 0.00 -2.02 0.00 0.00 58.31 52.61 3cfa n LYS 136 Cb 0.61 -1.60 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 3cfa n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cfa s ALA 137 N -3.18 3.29 -0.18 7.82 0.00 -1.23 -4.20 121.76 124.08 3cfa s ALA 137 Ca 0.37 0.10 0.16 0.00 0.00 0.00 0.00 51.96 52.59 3cfa s ALA 137 Cb 0.36 -2.82 0.46 0.00 0.00 0.00 0.00 23.12 21.12 3cfa s ALA 137 CO -0.06 0.31 1.35 0.41 0.00 0.00 0.00 175.76 177.77 3cfa n GLY 138 N -0.32 4.39 0.00 0.00 0.00 0.10 -5.01 105.19 104.36 3cfa n GLY 138 Ca 0.04 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3cfa n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfa n GLY 139 N -0.84 -0.22 3.89 -0.02 0.00 -1.26 -4.70 105.19 102.05 3cfa n GLY 139 Ca 0.21 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 3cfa n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cfa s TRP 140 N -1.23 3.58 0.75 1.61 0.52 -1.26 -0.74 118.94 122.17 3cfa s TRP 140 Ca 0.00 0.52 -0.11 0.00 0.02 0.00 0.00 56.10 56.53 3cfa s TRP 140 Cb 0.00 -1.95 0.04 0.00 -1.15 0.00 0.00 33.47 30.42 3cfa s TRP 140 CO 0.00 0.65 1.08 -1.21 0.02 0.00 0.00 176.95 177.50 3cfa s GLU 141 N -1.60 2.47 0.88 4.98 0.41 -0.63 -4.79 118.70 120.42 3cfa s GLU 141 Ca 0.24 1.10 -0.11 0.00 -0.41 0.00 0.00 54.97 55.80 3cfa s GLU 141 Cb -0.13 -1.93 0.13 0.00 -1.78 0.00 0.00 34.13 30.42 3cfa s GLU 141 CO 0.14 -1.47 1.16 -2.30 -0.49 0.00 0.00 175.26 172.30 3cfa n PRO 142 N -3.39 -0.26 -4.06 0.39 -0.02 -1.26 -4.73 135.00 121.68 3cfa n PRO 142 Ca 0.09 -0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.47 3cfa n PRO 142 Cb 0.53 -2.40 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 3cfa n PRO 142 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cfa s SER 143 N -2.47 0.25 -0.12 2.55 1.04 0.05 -4.87 113.70 110.14 3cfa s SER 143 Ca 0.69 -1.02 0.01 0.00 0.48 0.00 0.00 55.95 56.11 3cfa s SER 143 Cb -0.25 0.32 0.02 0.00 0.10 0.00 0.00 66.02 66.21 3cfa s SER 143 CO 0.56 -0.75 -0.14 0.00 0.98 0.00 0.00 173.24 173.89 3cfa s GLU 145 N 1.19 3.04 -0.13 0.00 2.12 0.26 -4.25 118.70 120.93 3cfa s GLU 145 Ca -0.03 -0.43 -0.07 0.00 0.36 0.00 0.00 54.97 54.80 3cfa s GLU 145 Cb -0.14 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 3cfa s GLU 145 CO -0.04 0.64 0.11 0.96 -0.54 0.00 0.00 175.26 176.39 3cfa s ILE 146 N -0.72 5.26 -0.01 -3.70 -4.36 0.03 -0.56 121.20 117.14 3cfa s ILE 146 Ca 0.11 0.12 0.02 0.00 -0.26 0.00 0.00 60.65 60.65 3cfa s ILE 146 Cb -0.12 -3.30 -0.00 0.00 1.25 0.00 0.00 42.46 40.29 3cfa s ILE 146 CO 0.02 0.59 -0.08 -0.76 0.24 0.00 0.00 174.94 174.95 3cfa s LEU 147 N -0.77 1.98 0.03 0.37 1.02 -0.41 -1.25 118.68 119.65 3cfa s LEU 147 Ca 0.13 -0.15 -0.27 0.00 0.02 0.00 0.00 54.13 53.86 3cfa s LEU 147 Cb -0.12 -0.42 0.09 0.00 0.02 0.00 0.00 46.19 45.76 3cfa s LEU 147 CO 0.03 0.09 0.77 -0.72 0.02 0.00 0.00 176.35 176.54 3cfa s TYR 148 N -0.13 -0.45 0.20 0.29 -0.85 -0.82 -1.69 117.35 113.90 3cfa s TYR 148 Ca 0.02 0.40 -0.30 0.00 -0.52 0.00 0.00 57.07 56.68 3cfa s TYR 148 Cb -0.04 0.52 -0.09 0.00 0.38 0.00 0.00 41.96 42.74 3cfa s TYR 148 CO -0.00 -0.64 1.30 -2.00 -1.52 0.00 0.00 175.55 172.69 3cfa s GLU 149 N -2.92 4.39 -0.08 -3.49 2.12 -1.26 -1.20 118.70 116.27 3cfa s GLU 149 Ca 0.01 2.05 -0.03 0.00 0.36 0.00 0.00 54.97 57.36 3cfa s GLU 149 Cb -0.01 -3.19 0.04 0.00 0.26 0.00 0.00 34.13 31.23 3cfa s GLU 149 CO -0.07 -0.24 0.17 0.08 -0.54 0.00 0.00 175.26 174.65 3cfa s VAL 150 N 0.07 -0.08 -1.46 3.70 1.01 -0.12 -4.88 120.40 118.62 3cfa s VAL 150 Ca 0.56 0.20 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 3cfa s VAL 150 Cb -0.36 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 35.76 3cfa s VAL 150 CO 0.39 0.08 0.48 0.47 0.00 0.00 0.00 175.10 176.51 3cfa n ASP 151 N 4.38 -5.28 0.00 3.32 8.00 -1.26 -1.39 116.55 124.32 3cfa n ASP 151 Ca -0.23 -0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3cfa n ASP 151 Cb 0.52 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.31 3cfa n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cfa n GLY 152 N -1.33 0.38 3.51 0.44 0.00 -1.26 -5.00 105.19 101.93 3cfa n GLY 152 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3cfa n GLY 152 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3cfa n VAL 153 N -2.54 0.00 -3.82 1.61 0.24 -0.48 -4.76 118.33 108.58 3cfa n VAL 153 Ca 0.00 -2.39 -0.36 0.00 -2.04 0.00 0.00 64.34 59.55 3cfa n VAL 153 Cb 0.15 0.66 -0.12 0.00 -1.47 0.00 0.00 33.84 33.05 3cfa n VAL 153 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3cfa s LEU 154 N 0.00 3.47 -0.01 1.34 2.96 -0.99 -0.95 118.68 124.51 3cfa s LEU 154 Ca 0.10 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 3cfa s LEU 154 Cb 0.00 -1.92 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 3cfa s LEU 154 CO 0.07 0.00 0.26 0.00 -1.32 0.00 0.00 176.35 175.36 3cfa s GLY 156 N -1.56 0.54 -0.02 0.00 0.00 0.13 -1.94 107.32 104.46 3cfa s GLY 156 Ca 0.26 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.51 3cfa s GLY 156 CO 0.14 -0.39 0.01 1.20 0.00 0.00 0.00 173.10 174.07 3cfa s GLN 157 N -0.25 0.07 -0.01 2.90 -1.52 -0.38 -0.53 119.66 119.95 3cfa s GLN 157 Ca 0.04 0.09 -0.16 0.00 -1.95 0.00 0.00 55.36 53.38 3cfa s GLN 157 Cb -0.04 -0.24 0.03 0.00 -0.22 0.00 0.00 33.01 32.54 3cfa s GLN 157 CO -0.00 -0.10 0.35 0.45 -0.25 0.00 0.00 175.29 175.74 3cfa s SER 158 N 0.69 -0.23 -0.13 5.90 0.15 -0.99 -0.79 113.70 118.30 3cfa s SER 158 Ca -0.06 0.10 -0.05 0.00 0.70 0.00 0.00 55.95 56.64 3cfa s SER 158 Cb -0.09 0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 3cfa s SER 158 CO -0.02 -0.50 0.03 -0.76 1.20 0.00 0.00 173.24 173.20 3cfa s LEU 159 N -1.45 3.71 0.27 3.45 1.43 -1.26 -0.23 118.68 124.60 3cfa s LEU 159 Ca -0.12 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 3cfa s LEU 159 Cb -0.04 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.23 3cfa s LEU 159 CO 0.03 0.28 -0.13 -0.04 0.23 0.00 0.00 176.35 176.73 3cfa s MET 160 N -0.30 1.58 -0.12 1.70 -1.94 -0.58 -4.48 119.30 115.17 3cfa s MET 160 Ca 0.07 -1.76 -0.02 0.00 -1.71 0.00 0.00 55.69 52.28 3cfa s MET 160 Cb -0.12 -1.44 0.04 0.00 2.01 0.00 0.00 34.83 35.32 3cfa s MET 160 CO 0.02 0.19 0.01 0.00 -0.01 0.00 0.00 175.02 175.22 3cfa s ALA 161 N -2.77 0.82 -0.09 3.03 0.00 -1.26 -1.36 121.76 120.13 3cfa s ALA 161 Ca 0.28 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.65 3cfa s ALA 161 Cb -0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 3cfa s ALA 161 CO 0.12 -0.71 0.78 -1.17 0.00 0.00 0.00 175.76 174.79 3cfa s LEU 162 N 1.93 4.28 0.16 0.00 2.96 0.35 -1.60 118.68 126.76 3cfa s LEU 162 Ca 0.03 1.25 -0.30 0.00 -0.22 0.00 0.00 54.13 54.89 3cfa s LEU 162 Cb -0.14 -3.20 -0.08 0.00 0.50 0.00 0.00 46.19 43.27 3cfa s LEU 162 CO -0.06 -0.23 1.20 -0.54 -1.32 0.00 0.00 176.35 175.40 3cfa s LYS 163 N 1.26 4.48 0.29 1.98 1.02 0.08 -0.75 119.74 128.10 3cfa s LYS 163 Ca 0.40 1.86 0.07 0.00 0.02 0.00 0.00 55.97 58.32 3cfa s LYS 163 Cb -0.18 -3.26 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 3cfa s LYS 163 CO 0.18 -0.12 -0.07 0.00 -0.92 0.00 0.00 175.35 174.42 3cfa n PRO 165 N -0.63 2.37 -1.54 0.00 -0.02 -1.26 -3.13 135.00 130.79 3cfa n PRO 165 Ca -0.05 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3cfa n PRO 165 Cb 0.63 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3cfa n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfa n GLY 166 N 0.60 0.48 2.32 -1.23 0.00 -1.26 -3.86 105.19 102.25 3cfa n GLY 166 Ca 0.03 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 3cfa n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfa n GLY 167 N -1.62 1.13 3.93 -0.02 0.00 -1.20 -5.02 105.19 102.40 3cfa n GLY 167 Ca 0.00 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 3cfa n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cfa s ARG 168 N -3.11 3.29 0.05 1.61 0.52 -1.18 -4.94 118.95 115.18 3cfa s ARG 168 Ca 0.00 -0.16 0.04 0.00 -0.52 0.00 0.00 55.73 55.10 3cfa s ARG 168 Cb 0.00 -2.48 -0.02 0.00 0.52 0.00 0.00 34.95 32.97 3cfa s ARG 168 CO 0.00 -0.22 -0.13 -1.01 0.02 0.00 0.00 175.30 173.96 3cfa s HIS 169 N -2.63 1.12 -0.20 -0.53 3.76 -1.26 -0.38 115.29 115.17 3cfa s HIS 169 Ca 0.47 -0.39 -0.02 0.00 -0.15 0.00 0.00 55.06 54.97 3cfa s HIS 169 Cb -0.10 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 32.94 3cfa s HIS 169 CO 0.41 0.03 -0.12 -1.17 -0.85 0.00 0.00 174.74 173.04 3cfa s LEU 170 N -1.35 2.54 0.36 0.89 2.96 0.07 -4.93 118.68 119.23 3cfa s LEU 170 Ca -0.01 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3cfa s LEU 170 Cb -0.09 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 3cfa s LEU 170 CO 0.01 -0.01 0.57 0.54 -1.32 0.00 0.00 176.35 176.15 3cfa s ASN 171 N 1.37 6.21 0.17 3.68 2.20 -1.26 -0.50 114.94 126.81 3cfa s ASN 171 Ca 0.05 0.41 -0.12 0.00 -0.94 0.00 0.00 52.86 52.26 3cfa s ASN 171 Cb -0.14 -1.93 0.00 0.00 -2.00 0.00 0.00 41.25 37.19 3cfa s ASN 171 CO -0.07 -0.37 0.35 0.00 -2.94 0.00 0.00 177.10 174.07 3cfa s ARG 173 N -3.93 2.38 -0.24 0.00 3.52 -0.34 -1.53 118.95 118.81 3cfa s ARG 173 Ca 0.14 -0.64 -0.12 0.00 -0.13 0.00 0.00 55.73 54.98 3cfa s ARG 173 Cb 0.02 -1.88 -0.05 0.00 -1.56 0.00 0.00 34.95 31.48 3cfa s ARG 173 CO -0.02 0.08 0.21 -0.51 -0.81 0.00 0.00 175.30 174.26 3cfa s LEU 174 N 0.57 4.10 -0.36 -0.88 1.02 0.68 -1.12 118.68 122.69 3cfa s LEU 174 Ca -0.15 0.15 -0.05 0.00 0.02 0.00 0.00 54.13 54.10 3cfa s LEU 174 Cb -0.17 -2.19 0.07 0.00 0.02 0.00 0.00 46.19 43.92 3cfa s LEU 174 CO 0.05 0.00 0.14 -1.00 0.02 0.00 0.00 176.35 175.56 3cfa s HIS 175 N 1.31 3.35 -0.02 0.29 3.76 -0.55 -2.35 115.29 121.08 3cfa s HIS 175 Ca 0.10 -1.78 0.08 0.00 -0.15 0.00 0.00 55.06 53.31 3cfa s HIS 175 Cb -0.14 -2.60 -0.02 0.00 1.11 0.00 0.00 32.58 30.92 3cfa s HIS 175 CO 0.07 -0.83 -0.26 0.99 -0.85 0.00 0.00 174.74 173.86 3cfa s THR 176 N 1.31 2.05 -0.13 1.30 2.01 0.31 -2.10 115.64 120.40 3cfa s THR 176 Ca 0.01 -1.11 0.03 0.00 0.31 0.00 0.00 61.69 60.92 3cfa s THR 176 Cb -0.21 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.60 3cfa s THR 176 CO 0.00 0.58 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.40 3cfa s THR 177 N -0.61 2.17 -0.19 -0.82 2.01 -0.51 -0.70 115.64 117.00 3cfa s THR 177 Ca 0.10 -0.96 -0.07 0.00 0.31 0.00 0.00 61.69 61.07 3cfa s THR 177 Cb -0.10 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 3cfa s THR 177 CO -0.01 0.55 0.06 -0.31 -0.69 0.00 0.00 174.62 174.22 3cfa s TYR 178 N 0.61 3.25 -0.24 4.92 2.02 0.17 -1.49 117.35 126.58 3cfa s TYR 178 Ca -0.12 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 3cfa s TYR 178 Cb -0.16 -2.09 0.06 0.00 -0.40 0.00 0.00 41.96 39.37 3cfa s TYR 178 CO 0.03 0.14 -0.03 1.03 -1.57 0.00 0.00 175.55 175.15 3cfa s ARG 179 N 0.42 1.43 0.54 -0.62 0.52 0.13 -2.34 118.95 119.03 3cfa s ARG 179 Ca 0.03 -0.97 -0.20 0.00 -0.52 0.00 0.00 55.73 54.07 3cfa s ARG 179 Cb -0.12 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 32.77 3cfa s ARG 179 CO 0.00 -0.65 1.16 0.45 0.02 0.00 0.00 175.30 176.29 3cfa s SER 180 N 1.44 5.69 0.00 0.23 0.15 -1.26 -0.48 113.70 119.47 3cfa s SER 180 Ca -0.03 2.27 0.27 0.00 0.70 0.00 0.00 55.95 59.16 3cfa s SER 180 Cb -0.19 -2.59 0.91 0.00 -1.71 0.00 0.00 66.02 62.44 3cfa s SER 180 CO -0.08 -1.25 1.66 0.29 1.20 0.00 0.00 173.24 175.07 3cfa n LYS 181 N -1.18 1.77 -3.17 5.44 5.02 -0.50 -4.81 118.16 120.73 3cfa n LYS 181 Ca 0.11 -1.12 -0.32 0.00 -2.02 0.00 0.00 58.31 54.96 3cfa n LYS 181 Cb 0.50 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 3cfa n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cfa s LYS 182 N -1.97 3.94 0.53 1.97 1.02 -1.26 -4.94 119.74 119.03 3cfa s LYS 182 Ca 0.36 0.57 -0.20 0.00 0.02 0.00 0.00 55.97 56.72 3cfa s LYS 182 Cb 0.21 -2.47 -0.06 0.00 -0.52 0.00 0.00 37.83 34.99 3cfa s LYS 182 CO 0.32 0.17 1.17 -1.25 -0.92 0.00 0.00 175.35 174.85 3cfa s PRO 183 N -3.03 3.35 0.56 -1.68 0.04 -1.26 -4.92 135.00 128.07 3cfa s PRO 183 Ca 0.53 1.74 0.26 0.00 0.04 0.00 0.00 61.00 63.57 3cfa s PRO 183 Cb -0.10 -2.10 1.50 0.00 0.04 0.00 0.00 34.50 33.83 3cfa s PRO 183 CO 0.19 -0.88 2.03 0.00 0.04 0.00 0.00 177.00 178.39 3cfa h ALA 184 N 1.36 2.14 0.00 8.56 0.00 -1.94 0.34 119.26 129.72 3cfa h ALA 184 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3cfa h ALA 184 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3cfa h ALA 184 CO 0.57 -0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.01 3cfa h SER 185 N 0.00 0.00 -0.31 0.00 4.64 -1.96 -2.75 113.55 113.17 3cfa h SER 185 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3cfa h SER 185 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3cfa h SER 185 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3cfa n ALA 186 N -1.96 2.41 -2.43 5.18 0.00 0.11 -4.96 120.51 118.85 3cfa n ALA 186 Ca 0.00 -0.94 -0.30 0.00 0.00 0.00 0.00 53.44 52.21 3cfa n ALA 186 Cb 0.21 -0.78 -0.13 0.00 0.00 0.00 0.00 19.45 18.75 3cfa n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cfa s LEU 187 N -1.44 2.49 -0.46 0.00 2.01 -1.04 -5.01 118.68 115.24 3cfa s LEU 187 Ca 0.34 -0.59 -0.19 0.00 0.01 0.00 0.00 54.13 53.70 3cfa s LEU 187 Cb 0.20 -1.41 0.04 0.00 0.01 0.00 0.00 46.19 45.03 3cfa s LEU 187 CO 0.28 0.21 0.56 -0.54 1.01 0.00 0.00 176.35 177.87 3cfa s LYS 188 N -1.83 3.15 0.09 1.70 1.02 -1.26 -4.99 119.74 117.62 3cfa s LYS 188 Ca 0.15 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 3cfa s LYS 188 Cb -0.10 -4.01 -0.06 0.00 -0.52 0.00 0.00 37.83 33.14 3cfa s LYS 188 CO 0.07 -1.03 1.11 1.41 -0.92 0.00 0.00 175.35 175.99 3cfa s MET 189 N 2.47 4.52 0.56 1.68 -2.45 -1.26 -4.72 119.30 120.10 3cfa s MET 189 Ca 0.16 1.67 -0.19 0.00 -1.25 0.00 0.00 55.69 56.07 3cfa s MET 189 Cb -0.17 -3.35 -0.05 0.00 1.25 0.00 0.00 34.83 32.51 3cfa s MET 189 CO 0.14 -0.09 1.13 -1.25 1.05 0.00 0.00 175.02 176.00 3cfa s PRO 190 N 0.55 3.29 0.92 4.11 0.04 -1.26 -4.92 135.00 137.74 3cfa s PRO 190 Ca 0.54 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 3cfa s PRO 190 Cb -0.27 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.41 3cfa s PRO 190 CO 0.31 -0.89 1.15 -1.21 0.04 0.00 0.00 177.00 176.39 3cfa s GLU 191 N -3.38 1.02 -0.04 4.56 0.41 -1.26 -4.50 118.70 115.52 3cfa s GLU 191 Ca 0.72 0.23 -0.38 0.00 -0.41 0.00 0.00 54.97 55.12 3cfa s GLU 191 Cb -0.24 -1.83 -0.17 0.00 -1.78 0.00 0.00 34.13 30.11 3cfa s GLU 191 CO 0.29 -2.26 1.41 0.34 -0.49 0.00 0.00 175.26 174.54 3cfa n PHE 192 N -3.80 1.53 -3.95 1.61 7.35 -1.26 -4.78 117.46 114.16 3cfa n PHE 192 Ca 0.07 0.70 -0.12 0.00 -0.76 0.00 0.00 57.45 57.34 3cfa n PHE 192 Cb 0.59 -2.32 -0.01 0.00 0.35 0.00 0.00 39.48 38.09 3cfa n PHE 192 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 3cfa s HIS 193 N 1.23 0.58 0.08 -5.13 -3.43 -0.68 -4.95 115.29 102.99 3cfa s HIS 193 Ca 0.89 -1.03 0.09 0.00 -0.80 0.00 0.00 55.06 54.22 3cfa s HIS 193 Cb -1.05 0.38 -0.04 0.00 -1.43 0.00 0.00 32.58 30.44 3cfa s HIS 193 CO 0.54 -1.35 -0.22 -0.06 -2.00 0.00 0.00 174.74 171.66 3cfa s PHE 194 N -2.73 2.45 -0.19 0.38 0.08 0.07 -1.28 117.98 116.75 3cfa s PHE 194 Ca 0.23 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.97 3cfa s PHE 194 Cb -0.03 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 3cfa s PHE 194 CO 0.16 0.28 -0.14 -1.21 -0.10 0.00 0.00 175.22 174.21 3cfa s GLU 195 N -1.73 2.41 -0.03 0.44 2.02 0.27 -0.43 118.70 121.65 3cfa s GLU 195 Ca 0.15 -0.87 -0.22 0.00 0.02 0.00 0.00 54.97 54.05 3cfa s GLU 195 Cb -0.10 -2.48 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 3cfa s GLU 195 CO 0.06 -0.35 0.65 -0.51 0.02 0.00 0.00 175.26 175.14 3cfa s ASP 196 N 1.33 6.99 0.01 -0.19 1.01 0.14 -0.58 116.67 125.40 3cfa s ASP 196 Ca 0.01 1.19 0.05 0.00 0.71 0.00 0.00 52.55 54.51 3cfa s ASP 196 Cb -0.15 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.37 3cfa s ASP 196 CO -0.10 -0.00 -0.16 -1.00 0.21 0.00 0.00 175.17 174.12 3cfa s HIS 197 N 0.27 1.41 -0.07 4.23 3.76 0.36 -1.69 115.29 123.57 3cfa s HIS 197 Ca 0.34 -0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 54.94 3cfa s HIS 197 Cb -0.18 -0.88 0.03 0.00 1.11 0.00 0.00 32.58 32.66 3cfa s HIS 197 CO 0.18 0.01 -0.02 0.50 -0.85 0.00 0.00 174.74 174.56 3cfa s ARG 198 N -0.72 0.76 -0.15 1.40 3.52 -0.71 -0.77 118.95 122.28 3cfa s ARG 198 Ca 0.05 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.67 3cfa s ARG 198 Cb -0.07 -0.99 0.00 0.00 -1.56 0.00 0.00 34.95 32.33 3cfa s ARG 198 CO 0.00 -0.23 -0.17 0.42 -0.81 0.00 0.00 175.30 174.51 3cfa s ILE 199 N 1.63 2.55 -0.09 4.11 1.01 -1.26 -1.97 121.20 127.17 3cfa s ILE 199 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3cfa s ILE 199 Cb -0.13 -2.06 0.01 0.00 0.01 0.00 0.00 42.46 40.29 3cfa s ILE 199 CO -0.04 0.52 -0.16 -1.61 0.00 0.00 0.00 174.94 173.65 3cfa s GLU 200 N 0.79 2.20 -0.07 2.79 2.02 0.25 -4.48 118.70 122.20 3cfa s GLU 200 Ca -0.06 -0.57 0.06 0.00 0.02 0.00 0.00 54.97 54.41 3cfa s GLU 200 Cb -0.15 -1.79 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 3cfa s GLU 200 CO -0.00 0.02 -0.24 0.08 0.02 0.00 0.00 175.26 175.14 3cfa s VAL 201 N 0.73 2.03 -0.16 2.63 1.01 -1.26 -0.69 120.40 124.69 3cfa s VAL 201 Ca -0.12 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 60.82 3cfa s VAL 201 Cb -0.16 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 3cfa s VAL 201 CO 0.03 0.56 -0.14 -0.75 0.00 0.00 0.00 175.10 174.79 3cfa s LYS 202 N -0.04 3.23 -0.59 2.72 2.20 0.21 -4.98 119.74 122.49 3cfa s LYS 202 Ca -0.07 -0.74 -0.24 0.00 -0.36 0.00 0.00 55.97 54.56 3cfa s LYS 202 Cb -0.15 -2.66 0.05 0.00 -1.51 0.00 0.00 37.83 33.56 3cfa s LYS 202 CO 0.05 -0.01 0.95 -2.00 -0.36 0.00 0.00 175.35 173.98 3cfa s GLU 203 N 0.90 3.25 -0.10 4.03 2.12 -1.26 -0.95 118.70 126.68 3cfa s GLU 203 Ca -0.04 -0.46 -0.23 0.00 0.36 0.00 0.00 54.97 54.61 3cfa s GLU 203 Cb -0.15 -4.11 -0.20 0.00 0.26 0.00 0.00 34.13 29.93 3cfa s GLU 203 CO -0.01 -1.61 0.74 0.28 -0.54 0.00 0.00 175.26 174.12 3cfa h VAL 204 N 6.00 1.32 -3.36 3.70 2.07 -1.32 -3.44 116.25 121.22 3cfa h VAL 204 Ca -0.27 -1.78 -0.55 0.00 0.82 0.00 0.00 66.70 64.92 3cfa h VAL 204 Cb 1.07 2.40 -0.34 0.00 -1.52 0.00 0.00 31.29 32.90 3cfa h VAL 204 CO 1.12 0.41 -0.82 -1.58 0.02 0.00 0.00 177.57 176.72 3cfa s GLN 205 N -2.60 1.93 -0.49 1.57 0.74 -0.87 -4.96 119.66 114.99 3cfa s GLN 205 Ca -0.15 -0.48 -0.44 0.00 0.05 0.00 0.00 55.36 54.34 3cfa s GLN 205 Cb -0.01 -1.61 -0.19 0.00 1.10 0.00 0.00 33.01 32.29 3cfa s GLN 205 CO 0.55 -0.01 2.01 1.17 -0.55 0.00 0.00 175.29 178.46 3cfa n LYS 206 N 3.98 0.06 -1.22 1.67 4.81 -1.26 -0.83 118.16 125.37 3cfa n LYS 206 Ca -0.21 0.02 -0.07 0.00 -0.87 0.00 0.00 58.31 57.18 3cfa n LYS 206 Cb 0.52 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.98 3cfa n LYS 206 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cfa n GLY 207 N 6.59 0.81 1.52 3.14 0.00 -1.26 -4.75 105.19 111.25 3cfa n GLY 207 Ca 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3cfa n GLY 207 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cfa n LYS 208 N -1.06 0.00 -4.74 1.61 4.01 -0.01 -5.09 118.16 112.88 3cfa n LYS 208 Ca -0.07 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.44 3cfa n LYS 208 Cb 0.46 -0.23 -0.17 0.00 -0.51 0.00 0.00 35.03 34.58 3cfa n LYS 208 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3cfa s HIS 209 N -1.99 1.99 0.06 2.13 3.76 -0.70 -4.96 115.29 115.58 3cfa s HIS 209 Ca 0.00 -0.84 0.03 0.00 -0.15 0.00 0.00 55.06 54.10 3cfa s HIS 209 Cb 0.00 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.26 3cfa s HIS 209 CO 0.00 -0.40 -0.10 0.71 -0.85 0.00 0.00 174.74 174.10 3cfa s TYR 210 N 0.68 0.89 -0.07 1.40 2.02 -1.26 -0.79 117.35 120.22 3cfa s TYR 210 Ca -0.13 -0.50 0.05 0.00 -0.37 0.00 0.00 57.07 56.11 3cfa s TYR 210 Cb -0.16 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 40.87 3cfa s TYR 210 CO 0.03 -0.03 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.57 3cfa s GLU 211 N -1.75 2.67 -0.08 -0.62 2.02 -0.13 -4.92 118.70 115.90 3cfa s GLU 211 Ca -0.06 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.13 3cfa s GLU 211 Cb -0.09 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.87 3cfa s GLU 211 CO 0.01 0.41 -0.12 -1.14 0.02 0.00 0.00 175.26 174.44 3cfa s GLN 212 N -0.21 1.72 -0.07 1.61 0.74 -1.26 -0.62 119.66 121.56 3cfa s GLN 212 Ca -0.01 -0.40 0.02 0.00 0.05 0.00 0.00 55.36 55.02 3cfa s GLN 212 Cb -0.13 -1.47 -0.03 0.00 1.10 0.00 0.00 33.01 32.48 3cfa s GLN 212 CO 0.03 -0.03 -0.12 -0.47 -0.55 0.00 0.00 175.29 174.16 3cfa s TYR 213 N 0.86 2.80 0.02 1.67 5.04 0.13 -4.98 117.35 122.88 3cfa s TYR 213 Ca -0.11 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 3cfa s TYR 213 Cb -0.15 -1.70 -0.01 0.00 0.35 0.00 0.00 41.96 40.45 3cfa s TYR 213 CO 0.01 0.16 -0.05 -2.00 -1.34 0.00 0.00 175.55 172.33 3cfa s GLU 214 N -0.54 0.41 -0.03 4.97 2.12 -1.26 -0.58 118.70 123.79 3cfa s GLU 214 Ca 0.08 -0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.04 3cfa s GLU 214 Cb -0.12 -0.27 -0.01 0.00 0.26 0.00 0.00 34.13 33.99 3cfa s GLU 214 CO 0.02 0.06 -0.21 0.00 -0.54 0.00 0.00 175.26 174.59 3cfa s ALA 215 N -0.72 1.76 -0.01 6.30 0.00 -0.83 -5.00 121.76 123.26 3cfa s ALA 215 Ca -0.05 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3cfa s ALA 215 Cb -0.06 -0.50 0.01 0.00 0.00 0.00 0.00 23.12 22.57 3cfa s ALA 215 CO -0.00 0.39 -0.00 0.00 0.00 0.00 0.00 175.76 176.14 3cfa s ALA 216 N -0.31 0.14 -0.05 0.00 0.00 -1.26 -1.74 121.76 118.54 3cfa s ALA 216 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.03 3cfa s ALA 216 Cb -0.10 -0.11 0.03 0.00 0.00 0.00 0.00 23.12 22.94 3cfa s ALA 216 CO 0.01 -0.01 -0.02 0.08 0.00 0.00 0.00 175.76 175.82 3cfa s VAL 217 N 0.30 0.39 -0.19 0.00 1.01 -0.68 -1.80 120.40 119.42 3cfa s VAL 217 Ca -0.03 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 3cfa s VAL 217 Cb -0.05 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 3cfa s VAL 217 CO -0.01 0.22 0.18 0.00 0.00 0.00 0.00 175.10 175.49 3cfa s ALA 218 N 1.31 3.66 0.20 5.51 0.00 0.30 -0.68 121.76 132.05 3cfa s ALA 218 Ca -0.05 -0.63 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 3cfa s ALA 218 Cb -0.13 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 20.77 3cfa s ALA 218 CO -0.02 0.13 0.50 -0.98 0.00 0.00 0.00 175.76 175.38 3cfa s ARG 219 N 0.42 1.37 0.00 0.00 1.70 0.43 -1.66 118.95 121.21 3cfa s ARG 219 Ca 0.10 -0.92 0.00 0.00 -0.47 0.00 0.00 55.73 54.44 3cfa s ARG 219 Cb -0.12 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.77 3cfa s ARG 219 CO -0.00 -0.57 0.00 0.66 -1.08 0.00 0.00 175.30 174.31 3cfa n TYR 220 N -0.33 0.00 0.00 5.89 4.01 -1.26 -0.75 117.16 124.72 3cfa n TYR 220 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3cfa n TYR 220 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3cfa n TYR 220 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3cfa n ASP 222 N 0.00 0.00 -0.06 7.72 10.43 -1.26 -4.91 116.55 128.48 3cfa n ASP 222 Ca 0.00 0.00 -0.08 0.00 2.57 0.00 0.00 54.79 57.28 3cfa n ASP 222 Cb 0.00 0.00 0.09 0.00 1.84 0.00 0.00 41.12 43.05 3cfa n ASP 222 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cfa h ALA 223 N 0.00 0.86 -3.15 2.24 0.00 -2.04 -3.36 119.26 113.81 3cfa h ALA 223 Ca 0.00 -0.40 -0.62 0.00 0.00 0.00 0.00 54.91 53.89 3cfa h ALA 223 Cb 0.00 -0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.25 3cfa h ALA 223 CO 0.00 0.63 -0.69 0.00 0.00 0.00 0.00 179.25 179.19 3cfa s ALA 224 N -4.47 2.64 0.69 0.00 0.00 -1.26 -5.12 121.76 114.24 3cfa s ALA 224 Ca -0.09 -2.88 -0.11 0.00 0.00 0.00 0.00 51.96 48.88 3cfa s ALA 224 Cb 0.13 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.25 3cfa s ALA 224 CO 0.83 -2.05 1.06 -1.25 0.00 0.00 0.00 175.76 174.36 3cfa s PRO 225 N 0.07 2.96 0.38 0.00 0.04 -1.26 -5.05 135.00 132.14 3cfa s PRO 225 Ca 0.17 0.86 -0.16 0.00 0.04 0.00 0.00 61.00 61.92 3cfa s PRO 225 Cb -0.25 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.20 3cfa s PRO 225 CO 0.00 -1.06 0.82 0.45 0.04 0.00 0.00 177.00 177.25 3cfa s SER 226 N -3.90 6.76 0.11 6.66 0.15 -1.26 -4.99 113.70 117.22 3cfa s SER 226 Ca 0.58 1.38 0.24 0.00 0.70 0.00 0.00 55.95 58.85 3cfa s SER 226 Cb -0.13 -2.42 0.29 0.00 -1.71 0.00 0.00 66.02 62.05 3cfa s SER 226 CO 0.55 -0.31 1.27 0.29 1.20 0.00 0.00 173.24 176.23 3cfa n LYS 227 N -0.70 0.29 -0.06 5.44 5.02 -1.26 -4.48 118.16 122.41 3cfa n LYS 227 Ca 0.04 0.07 -0.05 0.00 -2.02 0.00 0.00 58.31 56.36 3cfa n LYS 227 Cb 0.54 -1.67 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 3cfa n LYS 227 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cfa n LEU 228 N -2.09 0.00 0.00 -0.35 4.77 -1.26 -5.02 117.00 113.05 3cfa n LEU 228 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3cfa n LEU 228 Cb 0.44 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3cfa n LEU 228 CO 0.37 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3cfa n GLY 229 N 1.99 1.71 3.82 -0.72 0.00 -1.26 -5.14 105.19 105.60 3cfa n GLY 229 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 3cfa n GLY 229 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cfa s HIS 230 N -1.81 3.33 -2.00 1.61 3.76 -1.26 -5.09 115.29 113.83 3cfa s HIS 230 Ca 0.00 1.57 0.06 0.00 -0.15 0.00 0.00 55.06 56.54 3cfa s HIS 230 Cb 0.00 -2.82 0.33 0.00 1.11 0.00 0.00 32.58 31.20 3cfa s HIS 230 CO 0.00 -0.12 0.80 0.72 -0.85 0.00 0.00 174.74 175.29