#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cff n LYS 67 N 0.00 0.82 0.20 -1.46 4.76 -1.26 -2.87 118.16 118.35 3cff n LYS 67 Ca 0.00 -0.10 0.07 0.00 -2.87 0.00 0.00 58.31 55.41 3cff n LYS 67 Cb 0.00 -1.50 0.39 0.00 -1.84 0.00 0.00 35.03 32.09 3cff n LYS 67 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 3cff h THR 68 N 0.24 0.77 -2.83 -0.18 2.02 -2.03 -3.37 112.91 107.53 3cff h THR 68 Ca 0.00 -1.33 -0.79 0.00 0.77 0.00 0.00 66.41 65.05 3cff h THR 68 Cb 0.18 1.84 -0.26 0.00 -1.74 0.00 0.00 68.15 68.17 3cff h THR 68 CO 0.00 0.31 0.90 0.49 0.37 0.00 0.00 175.52 177.59 3cff n PHE 69 N -3.51 3.40 -4.22 3.16 3.72 -1.14 -4.88 117.46 113.99 3cff n PHE 69 Ca -0.00 -3.04 -0.18 0.00 -0.05 0.00 0.00 57.45 54.17 3cff n PHE 69 Cb 0.47 -1.55 -0.15 0.00 -0.94 0.00 0.00 39.48 37.31 3cff n PHE 69 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3cff s ILE 70 N -1.63 0.54 -0.32 4.37 1.01 -1.26 -4.47 121.20 119.45 3cff s ILE 70 Ca 0.33 -0.21 -0.25 0.00 0.00 0.00 0.00 60.65 60.51 3cff s ILE 70 Cb 0.01 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.98 3cff s ILE 70 CO 0.03 0.19 0.90 -0.75 0.00 0.00 0.00 174.94 175.31 3cff s LYS 71 N 0.35 3.97 -0.27 2.79 2.20 -0.48 -4.92 119.74 123.39 3cff s LYS 71 Ca -0.04 0.73 -0.14 0.00 -0.36 0.00 0.00 55.97 56.16 3cff s LYS 71 Cb -0.08 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 3cff s LYS 71 CO -0.00 -0.79 0.31 0.71 -0.36 0.00 0.00 175.35 175.22 3cff s TYR 72 N 3.24 3.25 0.40 4.03 1.51 -1.26 -0.11 117.35 128.41 3cff s TYR 72 Ca 0.37 0.32 0.08 0.00 -1.01 0.00 0.00 57.07 56.83 3cff s TYR 72 Cb -0.13 -2.50 -0.02 0.00 -0.11 0.00 0.00 41.96 39.20 3cff s TYR 72 CO 0.14 -0.18 0.38 0.14 -1.11 0.00 0.00 175.55 174.92 3cff s VAL 73 N 1.89 2.81 -2.01 0.71 -7.23 -0.75 -4.70 120.40 111.13 3cff s VAL 73 Ca 0.12 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 3cff s VAL 73 Cb -0.16 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.76 3cff s VAL 73 CO 0.10 -0.03 0.00 -1.20 -0.31 0.00 0.00 175.10 173.66 3cff n SER 74 N -1.54 -5.43 -0.66 4.85 7.64 -1.26 -2.67 113.62 114.55 3cff n SER 74 Ca 0.03 0.39 -0.09 0.00 1.01 0.00 0.00 58.87 60.21 3cff n SER 74 Cb 0.61 -4.63 -0.04 0.00 -1.01 0.00 0.00 64.21 59.15 3cff n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cff n GLY 75 N -0.64 1.03 3.69 0.23 0.00 -1.26 -4.99 105.19 103.25 3cff n GLY 75 Ca -0.20 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 3cff n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cff s ILE 76 N -2.26 3.11 0.38 -0.61 1.01 -1.09 -4.97 121.20 116.77 3cff s ILE 76 Ca 0.00 0.61 -0.28 0.00 0.00 0.00 0.00 60.65 60.98 3cff s ILE 76 Cb 0.00 -3.39 -0.11 0.00 0.01 0.00 0.00 42.46 38.97 3cff s ILE 76 CO 0.00 0.01 1.46 -2.84 0.00 0.00 0.00 174.94 173.57 3cff s PRO 77 N 2.32 4.08 -0.66 2.79 0.02 -1.26 -4.82 135.00 137.47 3cff s PRO 77 Ca 0.71 2.51 -0.16 0.00 0.02 0.00 0.00 61.00 64.08 3cff s PRO 77 Cb -0.39 -2.94 0.15 0.00 0.02 0.00 0.00 34.50 31.34 3cff s PRO 77 CO 0.31 -0.53 0.67 0.34 -0.33 0.00 0.00 177.00 177.46 3cff s ASP 78 N -0.23 6.38 0.38 2.53 -1.08 -1.26 -4.53 116.67 118.85 3cff s ASP 78 Ca 0.53 -1.96 0.09 0.00 -0.52 0.00 0.00 52.55 50.69 3cff s ASP 78 Cb -0.45 -2.25 0.84 0.00 -1.46 0.00 0.00 42.92 39.60 3cff s ASP 78 CO 0.61 -0.86 1.94 0.22 0.52 0.00 0.00 175.17 177.60 3cff h TYR 79 N 8.66 0.68 0.05 -5.34 3.20 -1.93 -1.71 116.97 120.58 3cff h TYR 79 Ca -0.16 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.63 3cff h TYR 79 Cb 1.08 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3cff h TYR 79 CO 0.87 0.33 -0.49 0.74 -1.64 0.00 0.00 178.16 177.97 3cff h PHE 80 N 0.64 0.19 -0.37 -3.82 0.04 -1.92 -3.12 116.94 108.58 3cff h PHE 80 Ca 0.34 -0.14 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 3cff h PHE 80 Cb 0.46 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 3cff h PHE 80 CO -0.00 1.19 0.03 0.87 -0.60 0.00 0.00 178.31 179.80 3cff h LYS 81 N -0.77 0.58 0.00 1.51 1.57 -1.87 -1.62 116.57 115.97 3cff h LYS 81 Ca -0.11 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3cff h LYS 81 Cb 1.28 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3cff h LYS 81 CO 0.02 0.58 -0.03 1.96 -0.57 0.00 0.00 179.45 181.41 3cff h GLN 82 N 0.55 0.00 0.00 3.15 4.20 -1.40 -3.10 115.11 118.51 3cff h GLN 82 Ca 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 3cff h GLN 82 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3cff h GLN 82 CO 0.01 0.03 -0.01 0.77 -0.67 0.00 0.00 178.83 178.96 3cff h SER 83 N 0.00 0.00 -4.04 1.46 0.02 -1.22 -3.45 113.55 106.32 3cff h SER 83 Ca -0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 3cff h SER 83 Cb 0.21 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.77 3cff h SER 83 CO 0.00 0.01 0.38 -0.36 -1.14 0.00 0.00 176.83 175.72 3cff s PHE 84 N -3.23 3.14 -0.31 3.45 0.08 -1.17 -0.98 117.98 118.96 3cff s PHE 84 Ca 0.07 1.61 0.27 0.00 0.12 0.00 0.00 56.93 58.99 3cff s PHE 84 Cb 0.05 -3.03 0.86 0.00 -0.57 0.00 0.00 43.02 40.34 3cff s PHE 84 CO 0.66 -0.60 1.78 -1.00 -0.10 0.00 0.00 175.22 175.97 3cff h PRO 85 N 1.88 0.00 -0.96 0.24 0.13 -1.90 -3.46 132.00 127.94 3cff h PRO 85 Ca -0.49 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.71 3cff h PRO 85 Cb 1.21 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 3cff h PRO 85 CO 0.60 0.00 0.62 0.93 -0.23 0.00 0.00 178.00 179.92 3cff h GLU 86 N 0.00 1.06 0.00 0.86 3.07 -1.82 -3.38 114.58 114.37 3cff h GLU 86 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3cff h GLU 86 Cb 0.70 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3cff h GLU 86 CO 0.00 0.70 0.00 0.41 -1.40 0.00 0.00 179.01 178.72 3cff n GLY 87 N -1.38 -1.81 3.68 -3.84 0.00 -0.15 -4.80 105.19 96.89 3cff n GLY 87 Ca 0.15 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.34 3cff n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cff s PHE 88 N 0.00 0.06 0.26 1.61 -0.12 -0.93 -1.35 117.98 117.52 3cff s PHE 88 Ca 0.00 -0.46 0.09 0.00 -0.05 0.00 0.00 56.93 56.51 3cff s PHE 88 Cb 0.00 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 3cff s PHE 88 CO 0.00 -1.08 -0.14 0.95 -0.05 0.00 0.00 175.22 174.90 3cff s THR 89 N -3.95 2.06 0.08 -4.49 -4.23 0.41 -0.61 115.64 104.91 3cff s THR 89 Ca 0.16 -2.27 0.01 0.00 -1.18 0.00 0.00 61.69 58.41 3cff s THR 89 Cb -0.03 -2.29 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 3cff s THR 89 CO 0.06 -0.42 -0.06 -1.66 -0.54 0.00 0.00 174.62 172.00 3cff s TRP 90 N -2.76 0.80 -0.01 3.99 1.48 -0.51 -0.42 118.94 121.50 3cff s TRP 90 Ca 0.28 -0.88 -0.03 0.00 -1.06 0.00 0.00 56.10 54.41 3cff s TRP 90 Cb -0.01 -0.48 0.00 0.00 -1.16 0.00 0.00 33.47 31.82 3cff s TRP 90 CO 0.12 -0.18 0.06 -1.83 -4.06 0.00 0.00 176.95 171.06 3cff s GLU 91 N -3.55 0.19 -0.17 3.25 -1.05 -0.49 -0.74 118.70 116.15 3cff s GLU 91 Ca 0.08 -0.13 -0.19 0.00 -0.15 0.00 0.00 54.97 54.57 3cff s GLU 91 Cb 0.04 0.08 0.05 0.00 -0.44 0.00 0.00 34.13 33.86 3cff s GLU 91 CO -0.05 -0.03 0.53 0.50 0.95 0.00 0.00 175.26 177.15 3cff s ARG 92 N -0.51 0.67 -0.11 -4.83 3.52 -0.30 -1.45 118.95 115.95 3cff s ARG 92 Ca -0.06 0.59 0.03 0.00 -0.13 0.00 0.00 55.73 56.17 3cff s ARG 92 Cb -0.04 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.68 3cff s ARG 92 CO 0.00 -0.11 -0.22 0.99 -0.81 0.00 0.00 175.30 175.15 3cff s THR 93 N -0.04 1.93 -0.23 4.11 2.01 -0.93 -0.70 115.64 121.80 3cff s THR 93 Ca -0.03 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 3cff s THR 93 Cb -0.03 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.76 3cff s THR 93 CO 0.02 0.53 0.07 -0.89 -0.69 0.00 0.00 174.62 173.66 3cff s THR 94 N 0.52 4.41 -0.22 -0.82 2.01 0.13 -1.31 115.64 120.37 3cff s THR 94 Ca -0.15 -0.15 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 3cff s THR 94 Cb -0.17 -3.04 -0.03 0.00 0.01 0.00 0.00 72.50 69.27 3cff s THR 94 CO 0.05 0.37 0.06 0.42 -0.69 0.00 0.00 174.62 174.83 3cff s THR 95 N 1.29 4.45 0.06 -0.82 -4.23 -0.06 -1.26 115.64 115.06 3cff s THR 95 Ca 0.05 -0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 3cff s THR 95 Cb -0.15 -3.04 -0.05 0.00 1.34 0.00 0.00 72.50 70.60 3cff s THR 95 CO 0.03 0.40 0.33 -0.31 -0.54 0.00 0.00 174.62 174.53 3cff s TYR 96 N 1.03 3.56 0.33 3.99 2.02 0.42 -1.11 117.35 127.59 3cff s TYR 96 Ca 0.04 0.64 0.38 0.00 -0.37 0.00 0.00 57.07 57.76 3cff s TYR 96 Cb -0.14 -2.05 1.81 0.00 -0.40 0.00 0.00 41.96 41.18 3cff s TYR 96 CO 0.03 0.55 2.14 1.05 -1.57 0.00 0.00 175.55 177.75 3cff h GLU 97 N 3.67 0.00 -0.68 -0.62 4.11 -1.57 -1.92 114.58 117.58 3cff h GLU 97 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3cff h GLU 97 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3cff h GLU 97 CO 0.68 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.36 3cff n ASP 98 N -3.08 4.10 0.00 3.06 5.75 -1.26 -4.93 116.55 120.19 3cff n ASP 98 Ca -0.01 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 3cff n ASP 98 Cb 0.21 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 3cff n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3cff n GLY 99 N 1.38 0.97 3.77 6.12 0.00 -0.72 -4.53 105.19 112.18 3cff n GLY 99 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3cff n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cff s GLY 100 N -2.06 2.64 -0.03 -0.02 0.00 -1.21 -4.56 107.32 102.06 3cff s GLY 100 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 44.72 45.57 3cff s GLY 100 CO 0.00 1.19 -0.10 -1.36 0.00 0.00 0.00 173.10 172.83 3cff s PHE 101 N -1.76 1.08 -0.21 1.90 0.08 -0.28 -0.44 117.98 118.35 3cff s PHE 101 Ca 0.72 -0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.47 3cff s PHE 101 Cb -0.24 -0.78 0.05 0.00 -0.57 0.00 0.00 43.02 41.48 3cff s PHE 101 CO 0.27 -0.14 -0.06 -1.17 -0.10 0.00 0.00 175.22 174.02 3cff s LEU 102 N 0.31 2.17 -0.09 -0.37 1.98 -0.39 -0.95 118.68 121.34 3cff s LEU 102 Ca -0.06 -0.96 -0.02 0.00 -2.89 0.00 0.00 54.13 50.20 3cff s LEU 102 Cb -0.10 -1.08 -0.03 0.00 0.66 0.00 0.00 46.19 45.63 3cff s LEU 102 CO 0.01 -0.21 -0.00 -0.89 -1.89 0.00 0.00 176.35 173.37 3cff s THR 103 N 1.49 4.28 -0.01 3.68 2.01 0.80 -0.70 115.64 127.19 3cff s THR 103 Ca -0.03 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 3cff s THR 103 Cb -0.17 -2.80 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 3cff s THR 103 CO -0.07 0.60 0.03 0.00 -0.69 0.00 0.00 174.62 174.48 3cff s ALA 104 N -0.79 -0.06 -0.05 7.40 0.00 0.12 -0.87 121.76 127.52 3cff s ALA 104 Ca 0.12 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.07 3cff s ALA 104 Cb -0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 3cff s ALA 104 CO 0.02 -0.06 -0.21 -1.58 0.00 0.00 0.00 175.76 173.93 3cff s HIS 105 N -0.38 2.04 -0.02 0.00 5.65 -0.51 -1.15 115.29 120.92 3cff s HIS 105 Ca -0.04 -0.58 0.03 0.00 0.25 0.00 0.00 55.06 54.72 3cff s HIS 105 Cb -0.03 -1.35 -0.00 0.00 -1.18 0.00 0.00 32.58 30.02 3cff s HIS 105 CO -0.00 -0.18 -0.12 -1.14 -0.65 0.00 0.00 174.74 172.65 3cff s GLN 106 N -0.10 1.16 -0.12 2.88 -0.44 0.08 -0.95 119.66 122.18 3cff s GLN 106 Ca -0.03 -0.43 -0.01 0.00 -2.50 0.00 0.00 55.36 52.39 3cff s GLN 106 Cb -0.12 -1.08 -0.02 0.00 -1.64 0.00 0.00 33.01 30.15 3cff s GLN 106 CO 0.03 0.21 -0.08 0.34 0.50 0.00 0.00 175.29 176.28 3cff s ASP 107 N -0.04 4.49 -0.18 6.67 -1.08 -0.00 -1.43 116.67 125.09 3cff s ASP 107 Ca 0.00 -0.16 0.01 0.00 -0.52 0.00 0.00 52.55 51.88 3cff s ASP 107 Cb -0.08 -1.51 0.02 0.00 -1.46 0.00 0.00 42.92 39.89 3cff s ASP 107 CO 0.00 0.23 -0.19 -0.89 0.52 0.00 0.00 175.17 174.85 3cff s THR 108 N -0.02 2.04 0.19 1.71 2.01 0.22 -1.55 115.64 120.24 3cff s THR 108 Ca -0.01 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.10 3cff s THR 108 Cb -0.14 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 3cff s THR 108 CO 0.03 0.49 -0.17 -0.94 -0.69 0.00 0.00 174.62 173.34 3cff s SER 109 N 1.29 2.71 -0.31 3.53 1.04 -0.37 -2.19 113.70 119.40 3cff s SER 109 Ca 0.04 -0.93 -0.08 0.00 0.48 0.00 0.00 55.95 55.46 3cff s SER 109 Cb -0.14 -0.16 0.01 0.00 0.10 0.00 0.00 66.02 65.83 3cff s SER 109 CO -0.12 -0.08 0.11 -0.22 0.98 0.00 0.00 173.24 173.91 3cff s LEU 110 N -2.96 4.01 -0.88 2.42 2.96 -1.26 -0.26 118.68 122.71 3cff s LEU 110 Ca 0.19 -0.73 -0.06 0.00 -0.22 0.00 0.00 54.13 53.31 3cff s LEU 110 Cb -0.04 -1.92 0.22 0.00 0.50 0.00 0.00 46.19 44.96 3cff s LEU 110 CO 0.07 -0.22 0.79 -0.62 -1.32 0.00 0.00 176.35 175.06 3cff s ASP 111 N 1.52 6.31 0.40 3.68 2.15 -1.26 -4.96 116.67 124.51 3cff s ASP 111 Ca 0.03 -3.33 0.00 0.00 0.43 0.00 0.00 52.55 49.68 3cff s ASP 111 Cb -0.17 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 3cff s ASP 111 CO 0.04 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 3cff n GLY 112 N 2.96 1.22 2.67 2.66 0.00 -1.26 -4.77 105.19 108.66 3cff n GLY 112 Ca 0.18 0.28 -0.33 0.00 0.00 0.00 0.00 46.02 46.15 3cff n GLY 112 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cff n ASP 113 N 6.92 6.13 -3.87 1.61 5.75 -1.26 -5.20 116.55 126.63 3cff n ASP 113 Ca 0.00 -3.78 -0.16 0.00 -0.01 0.00 0.00 54.79 50.85 3cff n ASP 113 Cb 0.00 -0.76 -0.15 0.00 -1.03 0.00 0.00 41.12 39.18 3cff n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 3cff s LEU 115 N -3.80 1.59 -0.15 -2.12 1.43 -1.26 -5.19 118.68 109.18 3cff s LEU 115 Ca 0.50 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.58 3cff s LEU 115 Cb 0.42 -0.19 0.00 0.00 0.03 0.00 0.00 46.19 46.46 3cff s LEU 115 CO -0.29 -0.03 -0.19 -0.69 0.23 0.00 0.00 176.35 175.39 3cff s VAL 116 N 0.47 2.37 -0.13 -1.59 1.01 0.64 -4.94 120.40 118.23 3cff s VAL 116 Ca -0.05 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3cff s VAL 116 Cb -0.07 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3cff s VAL 116 CO -0.01 0.53 -0.09 -0.31 0.00 0.00 0.00 175.10 175.23 3cff s TYR 117 N 0.80 2.90 -0.15 5.22 2.02 -1.26 -1.24 117.35 125.64 3cff s TYR 117 Ca -0.06 -0.41 0.01 0.00 -0.37 0.00 0.00 57.07 56.23 3cff s TYR 117 Cb -0.15 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3cff s TYR 117 CO -0.01 -0.06 -0.17 0.15 -1.57 0.00 0.00 175.55 173.89 3cff s LYS 118 N 0.18 2.56 -0.01 -0.62 1.02 -0.59 -4.99 119.74 117.28 3cff s LYS 118 Ca -0.05 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 55.34 3cff s LYS 118 Cb -0.14 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 3cff s LYS 118 CO 0.04 -0.19 -0.19 0.14 -0.92 0.00 0.00 175.35 174.23 3cff s VAL 119 N 1.32 1.48 -0.08 3.17 -7.23 -1.26 -0.82 120.40 116.97 3cff s VAL 119 Ca 0.03 -0.82 0.04 0.00 -1.81 0.00 0.00 61.98 59.42 3cff s VAL 119 Cb -0.13 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.57 3cff s VAL 119 CO -0.10 0.40 -0.22 -0.54 -0.31 0.00 0.00 175.10 174.34 3cff s LYS 120 N -0.47 2.85 -0.05 4.82 1.02 -0.12 -5.00 119.74 122.78 3cff s LYS 120 Ca 0.07 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.26 3cff s LYS 120 Cb -0.07 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3cff s LYS 120 CO -0.01 0.31 -0.15 0.42 -0.92 0.00 0.00 175.35 175.01 3cff s ILE 121 N 0.03 1.32 -0.11 2.17 -1.09 -1.26 -1.42 121.20 120.83 3cff s ILE 121 Ca -0.08 -0.63 -0.00 0.00 -2.23 0.00 0.00 60.65 57.71 3cff s ILE 121 Cb -0.15 -1.16 0.02 0.00 -1.58 0.00 0.00 42.46 39.60 3cff s ILE 121 CO 0.05 0.39 -0.09 -0.76 -1.23 0.00 0.00 174.94 173.30 3cff s LEU 122 N 0.26 1.28 0.02 2.97 1.43 -0.05 -5.01 118.68 119.59 3cff s LEU 122 Ca -0.08 -0.31 0.07 0.00 -1.03 0.00 0.00 54.13 52.77 3cff s LEU 122 Cb -0.13 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.21 3cff s LEU 122 CO 0.03 -0.09 -0.20 -0.83 0.23 0.00 0.00 176.35 175.48 3cff s GLY 123 N 1.55 1.06 0.22 -3.19 0.00 -1.26 -0.14 107.32 105.56 3cff s GLY 123 Ca 0.02 -0.99 -0.18 0.00 0.00 0.00 0.00 44.72 43.58 3cff s GLY 123 CO -0.07 -0.89 0.56 0.54 0.00 0.00 0.00 173.10 173.24 3cff s ASN 124 N -0.94 -0.24 -0.92 1.64 2.20 -0.13 -4.96 114.94 111.60 3cff s ASN 124 Ca 0.07 -0.56 0.00 0.00 -0.94 0.00 0.00 52.86 51.43 3cff s ASN 124 Cb -0.08 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.78 3cff s ASN 124 CO 0.01 -1.13 0.00 0.59 -2.94 0.00 0.00 177.10 173.63 3cff n ASN 125 N -0.37 -5.50 -4.68 3.54 3.02 -1.26 -1.12 115.26 108.88 3cff n ASN 125 Ca -0.08 0.21 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 3cff n ASN 125 Cb 0.62 -3.76 -0.03 0.00 -0.61 0.00 0.00 39.78 36.00 3cff n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3cff s PHE 126 N -1.83 2.45 0.35 3.10 0.08 -1.26 -3.35 117.98 117.51 3cff s PHE 126 Ca 0.00 0.49 -0.29 0.00 0.12 0.00 0.00 56.93 57.25 3cff s PHE 126 Cb 0.00 -3.82 -0.11 0.00 -0.57 0.00 0.00 43.02 38.52 3cff s PHE 126 CO 0.00 -3.26 1.49 -1.25 -0.10 0.00 0.00 175.22 172.10 3cff s PRO 127 N 3.04 4.14 0.41 0.24 0.04 -1.26 -4.88 135.00 136.72 3cff s PRO 127 Ca 0.69 2.53 0.09 0.00 0.04 0.00 0.00 61.00 64.35 3cff s PRO 127 Cb -0.34 -3.00 0.88 0.00 0.04 0.00 0.00 34.50 32.08 3cff s PRO 127 CO 0.28 -0.52 2.02 0.00 0.04 0.00 0.00 177.00 178.83 3cff h ALA 128 N 3.55 1.79 -0.31 8.56 0.00 -1.97 -1.82 119.26 129.06 3cff h ALA 128 Ca -0.50 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3cff h ALA 128 Cb 1.23 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3cff h ALA 128 CO 0.68 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.68 3cff n ASP 129 N -4.47 2.23 -4.91 0.00 5.75 -1.26 -4.22 116.55 109.67 3cff n ASP 129 Ca 0.06 -1.87 -0.27 0.00 -0.01 0.00 0.00 54.79 52.70 3cff n ASP 129 Cb 0.17 -0.20 0.02 0.00 -1.03 0.00 0.00 41.12 40.07 3cff n ASP 129 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3cff s GLY 130 N -1.34 1.57 0.57 6.12 0.00 -0.68 -4.88 107.32 108.67 3cff s GLY 130 Ca 0.32 -0.56 0.25 0.00 0.00 0.00 0.00 44.72 44.74 3cff s GLY 130 CO 0.25 -0.33 2.20 -0.56 0.00 0.00 0.00 173.10 174.66 3cff h PRO 131 N -0.03 0.00 0.28 2.90 0.13 -1.93 -0.64 132.00 132.72 3cff h PRO 131 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3cff h PRO 131 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3cff h PRO 131 CO 0.61 0.00 -0.14 0.28 -0.23 0.00 0.00 178.00 178.53 3cff h VAL 132 N 0.00 0.69 0.00 1.56 2.07 -1.94 0.11 116.25 118.75 3cff h VAL 132 Ca 0.02 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 3cff h VAL 132 Cb 0.08 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3cff h VAL 132 CO -0.00 0.14 -0.38 0.24 0.02 0.00 0.00 177.57 177.59 3cff h MET 133 N -0.81 0.00 -0.00 1.57 2.86 -1.70 -2.63 114.93 114.22 3cff h MET 133 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3cff h MET 133 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3cff h MET 133 CO 0.06 0.38 -0.06 1.04 1.06 0.00 0.00 176.91 179.39 3cff n GLN 134 N -3.38 0.36 -3.57 1.72 1.13 -0.27 -4.95 117.38 108.42 3cff n GLN 134 Ca 0.01 -0.06 -0.22 0.00 -1.94 0.00 0.00 57.00 54.79 3cff n GLN 134 Cb 0.57 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.49 3cff n GLN 134 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3cff n ASN 135 N -1.27 -4.33 -0.35 1.08 2.85 -0.88 -4.93 115.26 107.43 3cff n ASN 135 Ca 0.12 -0.61 0.08 0.00 -0.11 0.00 0.00 54.58 54.06 3cff n ASN 135 Cb 0.28 -4.92 0.16 0.00 1.24 0.00 0.00 39.78 36.54 3cff n ASN 135 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3cff n LYS 136 N -4.62 1.29 -2.60 1.20 5.02 -0.03 -5.05 118.16 113.38 3cff n LYS 136 Ca -0.12 -2.76 -0.33 0.00 -2.02 0.00 0.00 58.31 53.08 3cff n LYS 136 Cb 0.61 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 3cff n LYS 136 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cff s ALA 137 N -2.77 3.03 -0.17 7.82 0.00 -1.22 -4.18 121.76 124.26 3cff s ALA 137 Ca 0.33 0.33 0.16 0.00 0.00 0.00 0.00 51.96 52.78 3cff s ALA 137 Cb 0.30 -3.15 0.40 0.00 0.00 0.00 0.00 23.12 20.67 3cff s ALA 137 CO -0.02 -0.09 1.27 0.41 0.00 0.00 0.00 175.76 177.33 3cff n GLY 138 N -1.00 4.69 0.00 0.00 0.00 0.14 -5.00 105.19 104.03 3cff n GLY 138 Ca 0.07 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3cff n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cff n GLY 139 N -1.11 0.09 3.89 -0.02 0.00 -1.26 -4.74 105.19 102.03 3cff n GLY 139 Ca 0.20 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 3cff n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cff s TRP 140 N -1.77 3.51 0.66 1.61 0.52 -1.26 -0.84 118.94 121.38 3cff s TRP 140 Ca 0.00 0.59 -0.13 0.00 0.02 0.00 0.00 56.10 56.57 3cff s TRP 140 Cb 0.00 -2.02 -0.00 0.00 -1.15 0.00 0.00 33.47 30.30 3cff s TRP 140 CO 0.00 0.49 1.07 -1.21 0.02 0.00 0.00 176.95 177.32 3cff s GLU 141 N -2.36 2.96 0.85 4.98 0.41 -0.61 -4.79 118.70 120.15 3cff s GLU 141 Ca 0.37 1.15 -0.12 0.00 -0.41 0.00 0.00 54.97 55.96 3cff s GLU 141 Cb -0.13 -1.99 0.11 0.00 -1.78 0.00 0.00 34.13 30.35 3cff s GLU 141 CO 0.22 -1.09 1.18 -0.35 -0.49 0.00 0.00 175.26 174.73 3cff n PRO 142 N -2.64 -0.07 -4.11 0.39 -0.04 -1.26 -4.72 135.00 122.54 3cff n PRO 142 Ca 0.09 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 3cff n PRO 142 Cb 0.53 -2.41 -0.09 0.00 -0.04 0.00 0.00 33.50 31.49 3cff n PRO 142 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3cff s GLY 143 N -2.32 1.00 -0.05 0.55 0.00 0.44 -4.88 107.32 102.07 3cff s GLY 143 Ca 0.71 -1.37 0.03 0.00 0.00 0.00 0.00 44.72 44.09 3cff s GLY 143 CO 0.54 -1.18 -0.14 0.00 0.00 0.00 0.00 173.10 172.32 3cff s GLU 145 N 0.25 2.51 -0.14 0.00 2.12 0.20 -4.16 118.70 119.47 3cff s GLU 145 Ca -0.07 -0.71 -0.09 0.00 0.36 0.00 0.00 54.97 54.47 3cff s GLU 145 Cb -0.12 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 3cff s GLU 145 CO 0.02 0.61 0.16 0.96 -0.54 0.00 0.00 175.26 176.47 3cff s ILE 146 N -0.70 5.45 -0.02 -3.70 -4.36 0.24 -0.71 121.20 117.39 3cff s ILE 146 Ca 0.11 0.25 0.03 0.00 -0.26 0.00 0.00 60.65 60.78 3cff s ILE 146 Cb -0.11 -3.45 0.00 0.00 1.25 0.00 0.00 42.46 40.16 3cff s ILE 146 CO 0.01 0.56 -0.09 -0.76 0.24 0.00 0.00 174.94 174.89 3cff s LEU 147 N -0.57 1.81 0.09 0.37 1.02 -0.25 -1.03 118.68 120.13 3cff s LEU 147 Ca 0.14 -0.19 -0.25 0.00 0.02 0.00 0.00 54.13 53.85 3cff s LEU 147 Cb -0.12 -0.55 0.08 0.00 0.02 0.00 0.00 46.19 45.62 3cff s LEU 147 CO 0.03 0.07 0.71 -0.72 0.02 0.00 0.00 176.35 176.46 3cff s TYR 148 N 0.16 -0.47 0.18 0.29 -0.85 -0.82 -1.55 117.35 114.28 3cff s TYR 148 Ca -0.03 0.32 -0.30 0.00 -0.52 0.00 0.00 57.07 56.55 3cff s TYR 148 Cb -0.08 0.55 -0.08 0.00 0.38 0.00 0.00 41.96 42.72 3cff s TYR 148 CO 0.00 -0.73 1.22 -2.00 -1.52 0.00 0.00 175.55 172.53 3cff s GLU 149 N -3.41 4.47 -0.03 -3.49 2.12 -1.26 -1.15 118.70 115.94 3cff s GLU 149 Ca 0.02 1.90 -0.02 0.00 0.36 0.00 0.00 54.97 57.23 3cff s GLU 149 Cb -0.01 -3.24 0.02 0.00 0.26 0.00 0.00 34.13 31.16 3cff s GLU 149 CO -0.11 -0.14 0.08 0.14 -0.54 0.00 0.00 175.26 174.69 3cff s VAL 150 N 0.08 -0.03 -1.85 3.70 -7.23 -0.70 -4.89 120.40 109.47 3cff s VAL 150 Ca 0.54 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 3cff s VAL 150 Cb -0.33 -0.13 0.00 0.00 0.56 0.00 0.00 36.38 36.48 3cff s VAL 150 CO 0.36 0.05 0.00 0.47 -0.31 0.00 0.00 175.10 175.67 3cff n ASP 151 N 3.77 -5.53 -0.14 4.85 8.00 -1.26 -2.14 116.55 124.10 3cff n ASP 151 Ca -0.22 0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.46 3cff n ASP 151 Cb 0.54 -4.65 -0.01 0.00 -0.02 0.00 0.00 41.12 36.99 3cff n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cff n GLY 152 N -0.83 0.54 3.54 0.44 0.00 -1.26 -5.03 105.19 102.59 3cff n GLY 152 Ca -0.22 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 3cff n GLY 152 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cff s VAL 153 N -2.00 0.71 -0.26 1.61 -7.23 -0.91 -4.74 120.40 107.59 3cff s VAL 153 Ca 0.00 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.08 3cff s VAL 153 Cb 0.00 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3cff s VAL 153 CO 0.00 0.00 0.13 -0.22 -0.31 0.00 0.00 175.10 174.70 3cff s LEU 154 N -3.63 3.82 -0.03 1.32 2.96 -0.98 -1.71 118.68 120.42 3cff s LEU 154 Ca 0.23 -0.05 -0.03 0.00 -0.22 0.00 0.00 54.13 54.06 3cff s LEU 154 Cb 0.03 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 3cff s LEU 154 CO 0.13 -0.01 0.14 0.00 -1.32 0.00 0.00 176.35 175.30 3cff s GLY 156 N -1.69 0.69 -0.03 0.00 0.00 0.01 -1.94 107.32 104.36 3cff s GLY 156 Ca 0.24 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.37 3cff s GLY 156 CO 0.14 -0.45 -0.02 1.20 0.00 0.00 0.00 173.10 173.97 3cff s GLN 157 N -0.25 0.50 0.00 2.90 -1.52 -0.19 -0.78 119.66 120.32 3cff s GLN 157 Ca 0.04 -0.02 -0.15 0.00 -1.95 0.00 0.00 55.36 53.28 3cff s GLN 157 Cb -0.06 -0.59 0.02 0.00 -0.22 0.00 0.00 33.01 32.16 3cff s GLN 157 CO -0.00 -0.09 0.32 -1.54 -0.25 0.00 0.00 175.29 173.73 3cff s SER 158 N 0.86 -0.19 -0.11 5.90 1.04 -0.99 -0.59 113.70 119.61 3cff s SER 158 Ca -0.10 0.02 -0.02 0.00 0.48 0.00 0.00 55.95 56.33 3cff s SER 158 Cb -0.13 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.29 3cff s SER 158 CO -0.01 -0.51 -0.01 -0.76 0.98 0.00 0.00 173.24 172.94 3cff s LEU 159 N -1.55 3.50 0.20 2.42 1.43 -1.26 -0.31 118.68 123.11 3cff s LEU 159 Ca -0.11 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3cff s LEU 159 Cb -0.04 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 3cff s LEU 159 CO 0.02 0.32 -0.16 -0.04 0.23 0.00 0.00 176.35 176.72 3cff s MET 160 N -0.51 1.35 -0.13 1.70 -1.94 -0.21 -4.49 119.30 115.06 3cff s MET 160 Ca 0.09 -1.57 -0.01 0.00 -1.71 0.00 0.00 55.69 52.49 3cff s MET 160 Cb -0.12 -1.22 0.04 0.00 2.01 0.00 0.00 34.83 35.54 3cff s MET 160 CO 0.02 0.21 -0.02 0.00 -0.01 0.00 0.00 175.02 175.22 3cff s ALA 161 N -2.75 1.14 -0.12 3.03 0.00 -1.26 -1.04 121.76 120.77 3cff s ALA 161 Ca 0.22 -0.56 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 3cff s ALA 161 Cb -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 3cff s ALA 161 CO 0.07 -0.70 0.78 -1.17 0.00 0.00 0.00 175.76 174.75 3cff s LEU 162 N 1.79 4.24 0.08 0.00 2.96 0.12 -1.57 118.68 126.30 3cff s LEU 162 Ca 0.02 1.20 -0.31 0.00 -0.22 0.00 0.00 54.13 54.82 3cff s LEU 162 Cb -0.14 -3.18 -0.07 0.00 0.50 0.00 0.00 46.19 43.30 3cff s LEU 162 CO -0.07 -0.27 1.32 -0.54 -1.32 0.00 0.00 176.35 175.46 3cff s LYS 163 N 1.54 4.36 0.28 1.98 1.02 -0.02 -0.61 119.74 128.29 3cff s LYS 163 Ca 0.39 1.94 0.07 0.00 0.02 0.00 0.00 55.97 58.39 3cff s LYS 163 Cb -0.17 -3.34 -0.06 0.00 -0.52 0.00 0.00 37.83 33.74 3cff s LYS 163 CO 0.16 -0.39 -0.07 0.00 -0.92 0.00 0.00 175.35 174.13 3cff n PRO 165 N -0.58 1.78 -1.42 0.00 -0.02 -1.26 -2.97 135.00 130.52 3cff n PRO 165 Ca -0.06 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3cff n PRO 165 Cb 0.63 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3cff n PRO 165 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cff n GLY 166 N 0.95 0.38 2.20 -1.23 0.00 -1.26 -3.73 105.19 102.52 3cff n GLY 166 Ca 0.07 -1.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.03 3cff n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cff n GLY 167 N -2.13 0.81 3.94 -0.02 0.00 -1.19 -5.02 105.19 101.58 3cff n GLY 167 Ca 0.00 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 3cff n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cff s ARG 168 N -2.29 3.21 0.06 1.61 1.81 -1.16 -4.94 118.95 117.24 3cff s ARG 168 Ca 0.00 -0.34 0.05 0.00 -1.72 0.00 0.00 55.73 53.72 3cff s ARG 168 Cb 0.00 -2.54 -0.03 0.00 -0.45 0.00 0.00 34.95 31.93 3cff s ARG 168 CO 0.00 -0.20 -0.13 -1.01 -0.68 0.00 0.00 175.30 173.28 3cff s HIS 169 N -2.55 1.15 -0.18 -0.53 3.76 -1.26 -0.68 115.29 114.99 3cff s HIS 169 Ca 0.47 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 3cff s HIS 169 Cb -0.10 -0.66 0.01 0.00 1.11 0.00 0.00 32.58 32.94 3cff s HIS 169 CO 0.39 0.04 -0.17 -1.17 -0.85 0.00 0.00 174.74 172.97 3cff s LEU 170 N -1.52 2.30 0.33 0.89 2.96 0.22 -4.91 118.68 118.94 3cff s LEU 170 Ca -0.02 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.32 3cff s LEU 170 Cb -0.09 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3cff s LEU 170 CO 0.02 0.01 0.52 0.54 -1.32 0.00 0.00 176.35 176.12 3cff s ASN 171 N 1.22 6.30 0.13 3.68 2.20 -1.26 0.13 114.94 127.34 3cff s ASN 171 Ca 0.03 0.39 -0.13 0.00 -0.94 0.00 0.00 52.86 52.20 3cff s ASN 171 Cb -0.14 -2.00 0.02 0.00 -2.00 0.00 0.00 41.25 37.13 3cff s ASN 171 CO -0.09 -0.25 0.35 0.00 -2.94 0.00 0.00 177.10 174.17 3cff s ARG 173 N -3.85 2.64 -0.25 0.00 3.52 -0.27 -1.04 118.95 119.69 3cff s ARG 173 Ca 0.06 -0.76 -0.10 0.00 -0.13 0.00 0.00 55.73 54.80 3cff s ARG 173 Cb 0.02 -2.05 -0.05 0.00 -1.56 0.00 0.00 34.95 31.32 3cff s ARG 173 CO -0.09 0.16 0.15 -0.51 -0.81 0.00 0.00 175.30 174.21 3cff s LEU 174 N 0.36 3.95 -0.38 -0.88 1.02 0.57 -0.88 118.68 122.43 3cff s LEU 174 Ca -0.16 0.01 -0.07 0.00 0.02 0.00 0.00 54.13 53.93 3cff s LEU 174 Cb -0.17 -2.07 0.07 0.00 0.02 0.00 0.00 46.19 44.04 3cff s LEU 174 CO 0.07 0.01 0.18 -1.00 0.02 0.00 0.00 176.35 175.63 3cff s HIS 175 N 1.40 3.35 0.03 0.29 3.76 -0.42 -2.36 115.29 121.33 3cff s HIS 175 Ca 0.07 -1.68 0.08 0.00 -0.15 0.00 0.00 55.06 53.39 3cff s HIS 175 Cb -0.15 -2.73 -0.03 0.00 1.11 0.00 0.00 32.58 30.79 3cff s HIS 175 CO 0.07 -0.83 -0.25 0.99 -0.85 0.00 0.00 174.74 173.87 3cff s THR 176 N 1.36 2.01 -0.11 1.30 2.01 0.04 -2.18 115.64 120.08 3cff s THR 176 Ca 0.02 -1.26 0.03 0.00 0.31 0.00 0.00 61.69 60.78 3cff s THR 176 Cb -0.22 -1.71 0.01 0.00 0.01 0.00 0.00 72.50 70.59 3cff s THR 176 CO 0.01 0.40 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.26 3cff s THR 177 N -0.74 1.75 -0.18 -0.82 2.01 -0.53 -0.81 115.64 116.32 3cff s THR 177 Ca 0.10 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.22 3cff s THR 177 Cb -0.10 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 3cff s THR 177 CO 0.01 0.49 0.05 -0.31 -0.69 0.00 0.00 174.62 174.17 3cff s TYR 178 N 0.70 3.20 -0.24 4.92 2.02 0.14 -1.39 117.35 126.70 3cff s TYR 178 Ca -0.12 -0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.58 3cff s TYR 178 Cb -0.16 -2.08 0.06 0.00 -0.40 0.00 0.00 41.96 39.38 3cff s TYR 178 CO 0.02 0.08 -0.06 1.03 -1.57 0.00 0.00 175.55 175.05 3cff s ARG 179 N 0.48 1.74 0.53 -0.62 0.52 0.44 -2.33 118.95 119.72 3cff s ARG 179 Ca 0.02 -1.08 -0.21 0.00 -0.52 0.00 0.00 55.73 53.94 3cff s ARG 179 Cb -0.13 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.63 3cff s ARG 179 CO 0.01 -0.60 1.21 0.45 0.02 0.00 0.00 175.30 176.39 3cff s SER 180 N 1.33 5.61 0.00 0.23 0.15 -1.26 -0.44 113.70 119.32 3cff s SER 180 Ca -0.06 2.41 0.28 0.00 0.70 0.00 0.00 55.95 59.27 3cff s SER 180 Cb -0.19 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.53 3cff s SER 180 CO -0.06 -1.31 1.72 0.29 1.20 0.00 0.00 173.24 175.08 3cff n LYS 181 N -1.06 1.25 -3.12 5.44 5.02 -0.45 -4.79 118.16 120.44 3cff n LYS 181 Ca 0.11 -0.68 -0.34 0.00 -2.02 0.00 0.00 58.31 55.38 3cff n LYS 181 Cb 0.48 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 3cff n LYS 181 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3cff s LYS 182 N -2.22 4.08 0.64 1.97 1.02 -1.26 -4.95 119.74 119.02 3cff s LYS 182 Ca 0.33 0.74 -0.16 0.00 0.02 0.00 0.00 55.97 56.90 3cff s LYS 182 Cb 0.20 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.94 3cff s LYS 182 CO 0.41 0.23 1.13 -1.25 -0.92 0.00 0.00 175.35 174.95 3cff s PRO 183 N -2.67 2.84 0.50 -1.68 0.04 -1.26 -4.92 135.00 127.84 3cff s PRO 183 Ca 0.51 1.48 0.22 0.00 0.04 0.00 0.00 61.00 63.25 3cff s PRO 183 Cb -0.12 -1.95 1.28 0.00 0.04 0.00 0.00 34.50 33.75 3cff s PRO 183 CO 0.18 -1.24 1.97 0.00 0.04 0.00 0.00 177.00 177.96 3cff h ALA 184 N 0.23 2.37 0.00 8.56 0.00 -1.94 -1.36 119.26 127.12 3cff h ALA 184 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3cff h ALA 184 Cb 1.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3cff h ALA 184 CO 0.54 -0.53 -0.04 0.66 0.00 0.00 0.00 179.25 179.88 3cff h SER 185 N 0.14 0.00 -0.28 0.00 4.64 -1.97 -2.38 113.55 113.70 3cff h SER 185 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3cff h SER 185 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 3cff h SER 185 CO -0.04 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3cff n ALA 186 N -2.13 2.46 -2.47 5.18 0.00 -0.51 -4.94 120.51 118.10 3cff n ALA 186 Ca -0.01 -0.82 -0.31 0.00 0.00 0.00 0.00 53.44 52.30 3cff n ALA 186 Cb 0.24 -0.93 -0.12 0.00 0.00 0.00 0.00 19.45 18.63 3cff n ALA 186 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cff s LEU 187 N -1.58 2.65 -0.44 0.00 1.02 -0.90 -5.01 118.68 114.43 3cff s LEU 187 Ca 0.36 -0.41 -0.19 0.00 0.02 0.00 0.00 54.13 53.91 3cff s LEU 187 Cb 0.21 -1.54 0.03 0.00 0.02 0.00 0.00 46.19 44.91 3cff s LEU 187 CO 0.30 0.25 0.52 -0.75 0.02 0.00 0.00 176.35 176.70 3cff s LYS 188 N -1.47 3.15 0.08 1.70 2.36 -1.26 -4.99 119.74 119.31 3cff s LYS 188 Ca 0.15 -0.65 -0.30 0.00 -2.55 0.00 0.00 55.97 52.61 3cff s LYS 188 Cb -0.11 -3.98 -0.06 0.00 -1.05 0.00 0.00 37.83 32.64 3cff s LYS 188 CO 0.06 -0.94 1.18 -1.64 1.55 0.00 0.00 175.35 175.56 3cff s MET 189 N 2.40 4.45 0.54 4.03 -1.94 -1.26 -4.71 119.30 122.81 3cff s MET 189 Ca 0.16 1.76 -0.18 0.00 -1.71 0.00 0.00 55.69 55.72 3cff s MET 189 Cb -0.16 -3.34 -0.06 0.00 2.01 0.00 0.00 34.83 33.28 3cff s MET 189 CO 0.15 -0.21 1.06 -1.25 -0.01 0.00 0.00 175.02 174.76 3cff s PRO 190 N 0.84 3.52 0.98 2.03 0.04 -1.26 -4.90 135.00 136.25 3cff s PRO 190 Ca 0.57 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.83 3cff s PRO 190 Cb -0.29 -2.05 0.18 0.00 0.04 0.00 0.00 34.50 32.37 3cff s PRO 190 CO 0.30 -0.66 1.10 -1.21 0.04 0.00 0.00 177.00 176.57 3cff s GLU 191 N -3.58 0.54 -0.03 4.56 0.41 -1.26 -4.55 118.70 114.80 3cff s GLU 191 Ca 0.67 0.50 -0.38 0.00 -0.41 0.00 0.00 54.97 55.35 3cff s GLU 191 Cb -0.17 -1.75 -0.17 0.00 -1.78 0.00 0.00 34.13 30.26 3cff s GLU 191 CO 0.28 -2.65 1.44 0.34 -0.49 0.00 0.00 175.26 174.18 3cff n PHE 192 N -4.12 1.62 -3.96 1.61 7.35 -1.26 -4.77 117.46 113.94 3cff n PHE 192 Ca 0.05 0.64 -0.11 0.00 -0.76 0.00 0.00 57.45 57.27 3cff n PHE 192 Cb 0.57 -2.35 -0.02 0.00 0.35 0.00 0.00 39.48 38.04 3cff n PHE 192 CO 0.00 0.00 0.00 -3.38 -0.76 0.00 0.00 176.76 172.62 3cff s HIS 193 N 1.35 0.56 0.09 -5.13 -3.43 -0.60 -4.96 115.29 103.18 3cff s HIS 193 Ca 0.89 -0.99 0.07 0.00 -0.80 0.00 0.00 55.06 54.23 3cff s HIS 193 Cb -1.01 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 30.45 3cff s HIS 193 CO 0.53 -1.30 -0.13 -0.06 -2.00 0.00 0.00 174.74 171.78 3cff s PHE 194 N -2.90 2.68 -0.19 0.38 0.08 -0.22 -1.08 117.98 116.72 3cff s PHE 194 Ca 0.23 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.10 3cff s PHE 194 Cb -0.03 -1.43 0.04 0.00 -0.57 0.00 0.00 43.02 41.03 3cff s PHE 194 CO 0.15 0.40 -0.12 -1.21 -0.10 0.00 0.00 175.22 174.34 3cff s GLU 195 N -2.06 2.17 0.01 0.44 2.02 0.11 -0.90 118.70 120.49 3cff s GLU 195 Ca 0.20 -0.80 -0.23 0.00 0.02 0.00 0.00 54.97 54.16 3cff s GLU 195 Cb -0.11 -2.37 -0.05 0.00 0.10 0.00 0.00 34.13 31.69 3cff s GLU 195 CO 0.12 -0.37 0.68 -0.51 0.02 0.00 0.00 175.26 175.19 3cff s ASP 196 N 1.40 7.08 -0.00 -0.19 1.01 0.18 -0.63 116.67 125.52 3cff s ASP 196 Ca 0.00 1.29 0.02 0.00 0.71 0.00 0.00 52.55 54.58 3cff s ASP 196 Cb -0.15 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 3cff s ASP 196 CO -0.09 0.04 -0.08 -1.00 0.21 0.00 0.00 175.17 174.25 3cff s HIS 197 N -0.00 0.72 -0.07 4.23 3.76 0.11 -1.63 115.29 122.40 3cff s HIS 197 Ca 0.35 -0.16 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 3cff s HIS 197 Cb -0.19 -0.46 0.03 0.00 1.11 0.00 0.00 32.58 33.07 3cff s HIS 197 CO 0.20 -0.01 -0.03 0.50 -0.85 0.00 0.00 174.74 174.55 3cff s ARG 198 N -0.31 0.85 -0.15 1.40 3.52 -0.48 -0.42 118.95 123.36 3cff s ARG 198 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 3cff s ARG 198 Cb -0.04 -1.07 -0.01 0.00 -1.56 0.00 0.00 34.95 32.28 3cff s ARG 198 CO -0.00 -0.24 -0.15 0.42 -0.81 0.00 0.00 175.30 174.51 3cff s ILE 199 N 1.67 2.73 -0.06 4.11 1.01 -1.26 -1.84 121.20 127.56 3cff s ILE 199 Ca 0.01 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.93 3cff s ILE 199 Cb -0.13 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.20 3cff s ILE 199 CO -0.05 0.52 -0.14 -1.61 0.00 0.00 0.00 174.94 173.66 3cff s GLU 200 N 0.67 1.82 -0.05 2.79 2.02 0.33 -4.44 118.70 121.84 3cff s GLU 200 Ca -0.08 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 54.48 3cff s GLU 200 Cb -0.16 -1.50 -0.01 0.00 0.10 0.00 0.00 34.13 32.56 3cff s GLU 200 CO 0.02 0.09 -0.24 0.08 0.02 0.00 0.00 175.26 175.23 3cff s VAL 201 N 0.48 1.98 -0.17 2.63 1.01 -1.26 -0.61 120.40 124.47 3cff s VAL 201 Ca -0.12 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 3cff s VAL 201 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 3cff s VAL 201 CO 0.04 0.55 -0.12 -0.54 0.00 0.00 0.00 175.10 175.04 3cff s LYS 202 N -0.21 3.31 -0.63 2.72 1.02 -0.15 -4.99 119.74 120.82 3cff s LYS 202 Ca -0.01 -0.69 -0.23 0.00 0.02 0.00 0.00 55.97 55.05 3cff s LYS 202 Cb -0.13 -2.73 0.06 0.00 -0.52 0.00 0.00 37.83 34.50 3cff s LYS 202 CO 0.03 0.02 0.97 -2.00 -0.92 0.00 0.00 175.35 173.45 3cff s GLU 203 N 0.86 3.19 -0.03 1.68 2.12 -1.26 -0.83 118.70 124.41 3cff s GLU 203 Ca -0.03 -0.61 -0.23 0.00 0.36 0.00 0.00 54.97 54.46 3cff s GLU 203 Cb -0.15 -4.17 -0.17 0.00 0.26 0.00 0.00 34.13 29.91 3cff s GLU 203 CO 0.00 -1.72 1.02 0.28 -0.54 0.00 0.00 175.26 174.30 3cff h VAL 204 N 5.99 0.88 -3.73 3.70 2.07 -1.46 -3.45 116.25 120.25 3cff h VAL 204 Ca -0.28 -1.00 -0.49 0.00 0.82 0.00 0.00 66.70 65.75 3cff h VAL 204 Cb 1.07 1.41 -0.32 0.00 -1.52 0.00 0.00 31.29 31.93 3cff h VAL 204 CO 1.15 0.20 -0.81 -1.58 0.02 0.00 0.00 177.57 176.56 3cff s GLN 205 N -3.85 1.41 -0.58 1.57 0.74 -0.72 -4.96 119.66 113.28 3cff s GLN 205 Ca -0.13 -0.42 -0.34 0.00 0.05 0.00 0.00 55.36 54.51 3cff s GLN 205 Cb 0.01 -1.24 -0.15 0.00 1.10 0.00 0.00 33.01 32.73 3cff s GLN 205 CO 0.52 0.13 2.36 1.63 -0.55 0.00 0.00 175.29 179.37 3cff n LYS 206 N 3.39 0.58 -1.27 1.67 4.76 -1.26 -1.34 118.16 124.69 3cff n LYS 206 Ca -0.20 0.11 -0.09 0.00 -2.87 0.00 0.00 58.31 55.26 3cff n LYS 206 Cb 0.53 -2.18 -0.04 0.00 -1.84 0.00 0.00 35.03 31.50 3cff n LYS 206 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cff n GLY 207 N 6.63 1.03 1.52 0.72 0.00 -1.26 -4.78 105.19 109.05 3cff n GLY 207 Ca 0.50 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3cff n GLY 207 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cff n LYS 208 N -1.99 0.00 -4.77 1.61 4.76 -0.45 -5.09 118.16 112.23 3cff n LYS 208 Ca -0.09 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.09 3cff n LYS 208 Cb 0.39 -0.24 -0.16 0.00 -1.84 0.00 0.00 35.03 33.18 3cff n LYS 208 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3cff s HIS 209 N -2.00 1.72 0.06 2.13 3.76 -0.79 -4.96 115.29 115.21 3cff s HIS 209 Ca 0.00 -0.61 0.02 0.00 -0.15 0.00 0.00 55.06 54.32 3cff s HIS 209 Cb 0.00 -1.20 -0.03 0.00 1.11 0.00 0.00 32.58 32.46 3cff s HIS 209 CO 0.00 -0.26 -0.08 0.71 -0.85 0.00 0.00 174.74 174.26 3cff s TYR 210 N 0.40 0.72 -0.00 1.40 2.02 -1.26 -1.10 117.35 119.54 3cff s TYR 210 Ca -0.12 -0.60 0.06 0.00 -0.37 0.00 0.00 57.07 56.04 3cff s TYR 210 Cb -0.15 -0.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.96 3cff s TYR 210 CO 0.04 -0.10 -0.19 -1.21 -1.57 0.00 0.00 175.55 172.52 3cff s GLU 211 N -2.13 2.20 -0.04 -0.62 2.02 -0.01 -4.90 118.70 115.21 3cff s GLU 211 Ca -0.05 -0.89 0.01 0.00 0.02 0.00 0.00 54.97 54.06 3cff s GLU 211 Cb -0.06 -2.20 0.02 0.00 0.10 0.00 0.00 34.13 31.99 3cff s GLU 211 CO -0.01 0.57 -0.03 -1.14 0.02 0.00 0.00 175.26 174.67 3cff s GLN 212 N -1.02 0.69 -0.05 1.61 0.74 -1.26 -0.97 119.66 119.40 3cff s GLN 212 Ca 0.12 -0.06 0.04 0.00 0.05 0.00 0.00 55.36 55.51 3cff s GLN 212 Cb -0.10 -0.74 -0.03 0.00 1.10 0.00 0.00 33.01 33.24 3cff s GLN 212 CO 0.02 -0.09 -0.14 -0.47 -0.55 0.00 0.00 175.29 174.05 3cff s TYR 213 N 0.93 2.70 -0.00 1.67 5.04 0.22 -4.98 117.35 122.93 3cff s TYR 213 Ca -0.11 -0.18 0.01 0.00 -2.44 0.00 0.00 57.07 54.35 3cff s TYR 213 Cb -0.14 -1.63 -0.00 0.00 0.35 0.00 0.00 41.96 40.53 3cff s TYR 213 CO -0.00 0.17 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.36 3cff s GLU 214 N -0.70 0.15 -0.01 4.97 2.12 -1.26 -0.52 118.70 123.46 3cff s GLU 214 Ca 0.11 -0.07 0.07 0.00 0.36 0.00 0.00 54.97 55.44 3cff s GLU 214 Cb -0.11 -0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.12 3cff s GLU 214 CO 0.01 0.04 -0.23 0.00 -0.54 0.00 0.00 175.26 174.53 3cff s ALA 215 N -0.05 1.93 -0.08 6.30 0.00 -0.77 -4.98 121.76 124.10 3cff s ALA 215 Ca 0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3cff s ALA 215 Cb -0.01 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.67 3cff s ALA 215 CO -0.00 0.47 0.19 0.00 0.00 0.00 0.00 175.76 176.43 3cff s ALA 216 N -0.56 -0.42 -0.04 0.00 0.00 -1.26 -1.39 121.76 118.09 3cff s ALA 216 Ca 0.09 0.80 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3cff s ALA 216 Cb -0.09 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.52 3cff s ALA 216 CO -0.01 -0.17 -0.13 0.08 0.00 0.00 0.00 175.76 175.54 3cff s VAL 217 N 1.09 1.13 -0.19 0.00 1.01 -0.65 -1.38 120.40 121.41 3cff s VAL 217 Ca -0.08 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 3cff s VAL 217 Cb -0.10 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 3cff s VAL 217 CO -0.06 0.34 0.11 0.00 0.00 0.00 0.00 175.10 175.49 3cff s ALA 218 N 0.28 3.61 0.21 5.51 0.00 0.84 -0.64 121.76 131.57 3cff s ALA 218 Ca -0.07 -0.70 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 3cff s ALA 218 Cb -0.12 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 20.92 3cff s ALA 218 CO 0.02 0.18 0.45 -0.98 0.00 0.00 0.00 175.76 175.43 3cff s ARG 219 N 0.32 1.40 0.00 0.00 1.70 -0.08 -1.80 118.95 120.48 3cff s ARG 219 Ca 0.07 -1.08 0.00 0.00 -0.47 0.00 0.00 55.73 54.24 3cff s ARG 219 Cb -0.11 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3cff s ARG 219 CO -0.01 -0.57 0.00 0.66 -1.08 0.00 0.00 175.30 174.29 3cff n TYR 220 N -0.33 0.00 0.00 5.89 4.01 -1.26 -1.06 117.16 124.41 3cff n TYR 220 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3cff n TYR 220 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 3cff n TYR 220 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3cff n ASP 222 N 0.00 0.00 -0.17 7.72 10.43 -1.26 -4.93 116.55 128.34 3cff n ASP 222 Ca 0.00 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.26 3cff n ASP 222 Cb 0.00 0.00 0.00 0.00 1.84 0.00 0.00 41.12 42.96 3cff n ASP 222 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3cff h ALA 223 N 0.00 0.66 -3.38 2.24 0.00 -2.04 -3.38 119.26 113.35 3cff h ALA 223 Ca 0.00 -0.30 -0.68 0.00 0.00 0.00 0.00 54.91 53.92 3cff h ALA 223 Cb 0.00 -0.18 -0.35 0.00 0.00 0.00 0.00 17.79 17.26 3cff h ALA 223 CO 0.00 0.50 -0.63 0.00 0.00 0.00 0.00 179.25 179.11 3cff s ALA 224 N -4.93 3.00 0.47 0.00 0.00 -1.26 -5.11 121.76 113.92 3cff s ALA 224 Ca -0.12 -2.33 -0.20 0.00 0.00 0.00 0.00 51.96 49.31 3cff s ALA 224 Cb 0.11 -2.17 -0.09 0.00 0.00 0.00 0.00 23.12 20.97 3cff s ALA 224 CO 0.83 -1.63 0.99 -1.25 0.00 0.00 0.00 175.76 174.70 3cff s PRO 225 N 1.11 3.99 0.44 0.00 0.04 -1.26 -5.05 135.00 134.27 3cff s PRO 225 Ca 0.05 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 3cff s PRO 225 Cb -0.21 -2.13 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 3cff s PRO 225 CO -0.04 -0.25 0.92 0.45 0.04 0.00 0.00 177.00 178.11 3cff s SER 226 N -2.18 6.79 0.00 6.66 0.15 -1.26 -4.99 113.70 118.87 3cff s SER 226 Ca 0.64 1.55 0.18 0.00 0.70 0.00 0.00 55.95 59.02 3cff s SER 226 Cb -0.12 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.66 3cff s SER 226 CO 0.18 -0.41 0.88 0.29 1.20 0.00 0.00 173.24 175.39 3cff n LYS 227 N -0.93 1.55 -0.17 5.44 5.02 -1.26 -4.54 118.16 123.27 3cff n LYS 227 Ca 0.06 -0.73 0.10 0.00 -2.02 0.00 0.00 58.31 55.71 3cff n LYS 227 Cb 0.54 -1.32 0.17 0.00 -0.02 0.00 0.00 35.03 34.40 3cff n LYS 227 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3cff n LEU 228 N -0.28 2.72 -0.60 -0.35 4.77 -1.26 -4.98 117.00 117.01 3cff n LEU 228 Ca 0.07 -3.09 -0.07 0.00 -0.03 0.00 0.00 56.01 52.88 3cff n LEU 228 Cb 0.35 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 3cff n LEU 228 CO 0.24 0.72 -0.07 0.61 -1.33 0.00 0.00 177.39 177.55 3cff n GLY 229 N -1.22 0.72 3.96 -0.72 0.00 -1.26 -5.01 105.19 101.65 3cff n GLY 229 Ca 0.17 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 3cff n GLY 229 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cff s HIS 230 N -2.28 3.31 -2.00 1.61 3.76 -1.26 -5.10 115.29 113.32 3cff s HIS 230 Ca 0.00 0.18 0.10 0.00 -0.15 0.00 0.00 55.06 55.20 3cff s HIS 230 Cb 0.00 -2.08 0.62 0.00 1.11 0.00 0.00 32.58 32.23 3cff s HIS 230 CO 0.00 -0.10 1.06 0.72 -0.85 0.00 0.00 174.74 175.58