#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfj s THR 46 N 0.00 4.96 -0.15 1.39 -1.32 -0.02 -4.17 115.64 116.34 3dfj s THR 46 Ca 0.00 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 3dfj s THR 46 Cb 0.00 -3.15 0.00 0.00 -1.51 0.00 0.00 72.50 67.84 3dfj s THR 46 CO 0.00 0.59 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 3dfj n GLY 47 N 2.31 0.51 0.00 6.08 0.00 -1.22 -2.22 105.19 110.66 3dfj n GLY 47 Ca -0.19 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3dfj n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dfj n GLY 48 N -2.49 1.88 3.11 -0.02 0.00 -1.26 -4.88 105.19 101.54 3dfj n GLY 48 Ca -0.01 -1.95 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 3dfj n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dfj s SER 49 N -1.00 0.45 0.07 1.61 1.04 -0.29 -4.95 113.70 110.63 3dfj s SER 49 Ca 0.00 -1.07 -0.31 0.00 0.48 0.00 0.00 55.95 55.05 3dfj s SER 49 Cb 0.00 0.23 -0.07 0.00 0.10 0.00 0.00 66.02 66.28 3dfj s SER 49 CO 0.00 -0.64 1.33 -0.44 0.98 0.00 0.00 173.24 174.47 3dfj s SER 50 N -2.96 6.91 1.06 7.02 0.01 -1.26 -0.41 113.70 124.06 3dfj s SER 50 Ca 0.13 2.18 -0.13 0.00 1.31 0.00 0.00 55.95 59.43 3dfj s SER 50 Cb 0.08 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 63.95 3dfj s SER 50 CO -0.06 -0.61 1.09 0.00 0.41 0.00 0.00 173.24 174.07 3dfj s ALA 51 N 1.38 0.67 0.14 1.44 0.00 0.05 -4.87 121.76 120.57 3dfj s ALA 51 Ca 0.62 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 3dfj s ALA 51 Cb -0.33 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3dfj s ALA 51 CO 0.29 -3.10 0.36 0.08 0.00 0.00 0.00 175.76 173.39 3dfj s VAL 52 N -2.91 5.19 0.14 0.00 1.01 -1.26 -4.83 120.40 117.74 3dfj s VAL 52 Ca 0.66 -0.05 -0.35 0.00 0.00 0.00 0.00 61.98 62.25 3dfj s VAL 52 Cb -0.18 -3.63 -0.15 0.00 0.00 0.00 0.00 36.38 32.42 3dfj s VAL 52 CO 0.58 0.03 1.49 0.00 0.00 0.00 0.00 175.10 177.21 3dfj n ALA 53 N 0.04 0.62 -0.94 5.51 0.00 -1.26 -1.73 120.51 122.75 3dfj n ALA 53 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3dfj n ALA 53 Cb 0.52 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.71 3dfj n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dfj n GLY 54 N 3.08 0.89 0.18 0.00 0.00 -1.26 -4.91 105.19 103.17 3dfj n GLY 54 Ca 0.17 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.20 3dfj n GLY 54 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3dfj h GLN 55 N 2.76 0.04 -2.21 1.61 4.15 -1.70 -3.31 115.11 116.46 3dfj h GLN 55 Ca 0.00 -0.02 -0.59 0.00 0.77 0.00 0.00 58.65 58.81 3dfj h GLN 55 Cb 0.00 -0.00 -0.41 0.00 0.21 0.00 0.00 27.48 27.28 3dfj h GLN 55 CO 0.00 0.47 -0.79 0.91 -1.93 0.00 0.00 178.83 177.50 3dfj n TRP 56 N -4.01 2.01 1.10 3.99 7.02 -1.26 -4.97 117.44 121.31 3dfj n TRP 56 Ca -0.02 -3.92 0.10 0.00 -1.02 0.00 0.00 57.50 52.64 3dfj n TRP 56 Cb 0.47 -0.45 0.56 0.00 -2.42 0.00 0.00 31.31 29.47 3dfj n TRP 56 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 3dfj n PRO 57 N 1.23 0.43 0.04 -0.99 -0.04 -1.25 -1.35 135.00 133.07 3dfj n PRO 57 Ca 0.26 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.90 3dfj n PRO 57 Cb 0.45 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.59 3dfj n PRO 57 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3dfj n TRP 58 N -1.18 0.38 -2.19 0.54 2.14 -1.07 -2.09 117.44 113.97 3dfj n TRP 58 Ca 0.12 0.11 -0.42 0.00 2.07 0.00 0.00 57.50 59.38 3dfj n TRP 58 Cb 0.13 -0.53 -0.03 0.00 -0.81 0.00 0.00 31.31 30.07 3dfj n TRP 58 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3dfj s GLN 59 N -3.13 4.30 0.22 -2.67 2.00 -0.45 -0.64 119.66 119.28 3dfj s GLN 59 Ca 0.07 2.03 0.10 0.00 -2.00 0.00 0.00 55.36 55.55 3dfj s GLN 59 Cb 0.15 -3.45 -0.05 0.00 0.80 0.00 0.00 33.01 30.46 3dfj s GLN 59 CO 0.72 -0.53 -0.18 0.14 -0.50 0.00 0.00 175.29 174.95 3dfj s VAL 60 N 1.90 2.06 -0.16 1.34 -7.23 -0.50 -4.39 120.40 113.41 3dfj s VAL 60 Ca 0.65 -2.18 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 3dfj s VAL 60 Cb -0.34 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 3dfj s VAL 60 CO 0.28 -0.41 0.05 -0.55 -0.31 0.00 0.00 175.10 174.16 3dfj s SER 61 N -3.14 5.56 -0.20 4.85 0.15 -0.57 -2.30 113.70 118.05 3dfj s SER 61 Ca 0.23 0.10 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 3dfj s SER 61 Cb -0.04 -1.90 -0.02 0.00 -1.71 0.00 0.00 66.02 62.35 3dfj s SER 61 CO 0.10 0.21 -0.03 -0.63 1.20 0.00 0.00 173.24 174.09 3dfj s ILE 62 N 0.12 3.64 0.12 6.45 1.01 0.01 -0.30 121.20 132.25 3dfj s ILE 62 Ca 0.04 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.34 3dfj s ILE 62 Cb -0.12 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3dfj s ILE 62 CO 0.01 0.44 -0.07 0.42 0.00 0.00 0.00 174.94 175.74 3dfj s THR 63 N 1.05 3.50 -0.12 2.92 -4.23 -0.13 -0.77 115.64 117.87 3dfj s THR 63 Ca 0.01 -1.29 0.01 0.00 -1.18 0.00 0.00 61.69 59.25 3dfj s THR 63 Cb -0.15 -2.67 0.02 0.00 1.34 0.00 0.00 72.50 71.04 3dfj s THR 63 CO 0.01 0.06 -0.14 -0.47 -0.54 0.00 0.00 174.62 173.53 3dfj s TYR 64 N -1.35 1.96 -1.59 3.99 5.04 -0.16 -1.62 117.35 123.63 3dfj s TYR 64 Ca 0.23 -0.97 -0.13 0.00 -2.44 0.00 0.00 57.07 53.77 3dfj s TYR 64 Cb -0.11 -1.44 0.10 0.00 0.35 0.00 0.00 41.96 40.87 3dfj s TYR 64 CO 0.15 -0.52 0.75 0.39 -1.34 0.00 0.00 175.55 174.98 3dfj n GLU 65 N 4.38 -3.81 -0.35 4.97 1.02 -0.01 -2.03 120.64 124.81 3dfj n GLU 65 Ca -0.18 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 3dfj n GLU 65 Cb 0.51 -5.07 0.00 0.00 -0.02 0.00 0.00 31.44 26.86 3dfj n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dfj n GLY 66 N -1.61 1.58 3.49 0.62 0.00 -1.26 -5.02 105.19 102.99 3dfj n GLY 66 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3dfj n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dfj s VAL 67 N -3.09 3.95 0.08 1.61 1.01 -0.86 -5.00 120.40 118.09 3dfj s VAL 67 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 61.98 61.33 3dfj s VAL 67 Cb 0.00 -2.75 -0.11 0.00 0.00 0.00 0.00 36.38 33.52 3dfj s VAL 67 CO 0.00 0.47 1.86 1.57 0.00 0.00 0.00 175.10 179.00 3dfj n HIS 68 N 3.76 2.53 -0.01 5.22 -0.00 -1.26 -0.99 115.22 124.47 3dfj n HIS 68 Ca -0.17 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.72 57.37 3dfj n HIS 68 Cb 0.52 -2.73 -0.02 0.00 -0.00 0.00 0.00 29.99 27.76 3dfj n HIS 68 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.34 177.67 3dfj n VAL 69 N 4.88 0.20 -3.82 3.57 0.24 0.05 -4.92 118.33 118.54 3dfj n VAL 69 Ca 0.19 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.34 62.28 3dfj n VAL 69 Cb 0.36 -0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 31.81 3dfj n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dfj s GLY 71 N -2.91 1.80 0.26 0.00 0.00 0.46 -0.81 107.32 106.13 3dfj s GLY 71 Ca 0.12 -1.77 -0.20 0.00 0.00 0.00 0.00 44.72 42.87 3dfj s GLY 71 CO -0.01 -1.36 0.87 -0.32 0.00 0.00 0.00 173.10 172.28 3dfj s GLY 72 N -4.58 0.08 -0.07 0.20 0.00 -0.97 -3.47 107.32 98.50 3dfj s GLY 72 Ca 0.61 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.98 3dfj s GLY 72 CO 0.39 0.45 -0.09 -0.56 0.00 0.00 0.00 173.10 173.29 3dfj s SER 73 N -3.09 1.63 0.11 1.64 0.01 0.23 -1.41 113.70 112.81 3dfj s SER 73 Ca 0.15 -0.25 -0.31 0.00 1.31 0.00 0.00 55.95 56.85 3dfj s SER 73 Cb -0.04 -0.72 -0.08 0.00 0.21 0.00 0.00 66.02 65.40 3dfj s SER 73 CO 0.07 -0.03 1.39 -0.22 0.41 0.00 0.00 173.24 174.86 3dfj s LEU 74 N 0.97 4.37 0.00 2.44 2.96 0.18 -0.41 118.68 129.19 3dfj s LEU 74 Ca -0.09 2.31 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 3dfj s LEU 74 Cb -0.15 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3dfj s LEU 74 CO 0.00 -0.65 0.00 1.33 -1.32 0.00 0.00 176.35 175.71 3dfj n VAL 75 N 3.99 0.00 -3.57 1.68 0.24 -0.46 -1.49 118.33 118.72 3dfj n VAL 75 Ca 0.11 -0.32 -0.04 0.00 -2.04 0.00 0.00 64.34 62.05 3dfj n VAL 75 Cb 0.42 0.87 0.02 0.00 -1.47 0.00 0.00 33.84 33.68 3dfj n VAL 75 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3dfj n SER 76 N -0.92 -1.33 0.27 -1.34 3.41 -1.15 -4.75 113.62 107.82 3dfj n SER 76 Ca 0.00 -1.86 0.13 0.00 -0.26 0.00 0.00 58.87 56.88 3dfj n SER 76 Cb 0.00 2.20 0.79 0.00 -0.26 0.00 0.00 64.21 66.94 3dfj n SER 76 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3dfj h GLU 77 N 0.00 0.00 0.00 4.33 4.11 -1.99 -3.24 114.58 117.79 3dfj h GLU 77 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3dfj h GLU 77 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3dfj h GLU 77 CO 0.25 0.07 0.00 0.00 0.07 0.00 0.00 179.01 179.40 3dfj n GLN 78 N -3.82 0.17 -5.07 1.06 10.64 -1.26 -0.84 117.38 118.26 3dfj n GLN 78 Ca -0.02 -0.55 -0.29 0.00 -1.83 0.00 0.00 57.00 54.31 3dfj n GLN 78 Cb 0.17 -0.80 -0.16 0.00 -0.86 0.00 0.00 30.24 28.59 3dfj n GLN 78 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3dfj s TRP 79 N -0.19 2.08 -0.04 2.61 0.52 -1.23 -0.70 118.94 121.99 3dfj s TRP 79 Ca 0.00 -0.58 0.07 0.00 0.02 0.00 0.00 56.10 55.61 3dfj s TRP 79 Cb 0.00 -1.37 -0.02 0.00 -1.15 0.00 0.00 33.47 30.93 3dfj s TRP 79 CO 0.00 -0.17 -0.25 0.08 0.02 0.00 0.00 176.95 176.63 3dfj s VAL 80 N -0.14 2.04 -0.19 4.03 1.01 -0.26 -1.36 120.40 125.54 3dfj s VAL 80 Ca -0.02 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 60.79 3dfj s VAL 80 Cb -0.12 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3dfj s VAL 80 CO 0.02 0.57 0.11 -0.76 0.00 0.00 0.00 175.10 175.05 3dfj s LEU 81 N -0.40 4.14 0.00 3.92 1.43 0.45 -0.32 118.68 127.90 3dfj s LEU 81 Ca 0.04 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3dfj s LEU 81 Cb -0.12 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.05 3dfj s LEU 81 CO 0.01 0.21 0.00 -0.24 0.23 0.00 0.00 176.35 176.56 3dfj n SER 82 N 3.33 0.00 -4.87 2.29 2.88 -0.41 -0.60 113.62 116.24 3dfj n SER 82 Ca -0.17 -0.41 -0.36 0.00 -1.33 0.00 0.00 58.87 56.60 3dfj n SER 82 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 3dfj n SER 82 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dfj s ALA 83 N -1.92 3.84 0.46 -1.46 0.00 -1.26 -0.78 121.76 120.65 3dfj s ALA 83 Ca 0.00 -0.67 0.12 0.00 0.00 0.00 0.00 51.96 51.41 3dfj s ALA 83 Cb 0.00 -1.92 1.06 0.00 0.00 0.00 0.00 23.12 22.26 3dfj s ALA 83 CO 0.00 0.63 2.10 0.00 0.00 0.00 0.00 175.76 178.49 3dfj h ALA 84 N 4.88 1.85 0.00 0.00 0.00 -1.71 -2.16 119.26 122.12 3dfj h ALA 84 Ca -0.54 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3dfj h ALA 84 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3dfj h ALA 84 CO 0.59 0.14 0.00 1.12 0.00 0.00 0.00 179.25 181.10 3dfj h HIS 85 N 0.26 0.00 0.00 0.00 2.07 -1.92 -1.54 115.15 114.02 3dfj h HIS 85 Ca 0.07 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.59 3dfj h HIS 85 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 3dfj h HIS 85 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 3dfj n PHE 87 N -1.43 1.10 -1.80 0.00 3.01 -0.58 -5.02 117.46 112.73 3dfj n PHE 87 Ca 0.08 -3.77 -0.40 0.00 1.01 0.00 0.00 57.45 54.37 3dfj n PHE 87 Cb 0.28 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 39.46 3dfj n PHE 87 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3dfj s PRO 88 N -1.29 3.67 0.56 -1.08 0.04 -1.26 -4.89 135.00 130.75 3dfj s PRO 88 Ca 0.34 2.41 0.33 0.00 0.04 0.00 0.00 61.00 64.12 3dfj s PRO 88 Cb 0.10 -2.64 1.64 0.00 0.04 0.00 0.00 34.50 33.63 3dfj s PRO 88 CO -0.11 -0.82 2.11 0.66 0.04 0.00 0.00 177.00 178.87 3dfj h SER 89 N 2.30 0.00 1.37 6.66 4.64 -1.99 -2.23 113.55 124.30 3dfj h SER 89 Ca -0.51 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 3dfj h SER 89 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3dfj h SER 89 CO 0.61 0.06 -0.05 1.05 -0.87 0.00 0.00 176.83 177.63 3dfj h GLU 90 N 0.00 0.00 -6.91 4.77 9.09 -2.05 -3.45 114.58 116.04 3dfj h GLU 90 Ca -0.00 0.00 -0.50 0.00 0.05 0.00 0.00 59.36 58.91 3dfj h GLU 90 Cb 0.33 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.47 3dfj h GLU 90 CO 0.01 0.05 0.49 -1.01 0.05 0.00 0.00 179.01 178.60 3dfj s HIS 91 N -3.48 3.22 -0.04 2.06 3.76 -0.84 -5.01 115.29 114.96 3dfj s HIS 91 Ca 0.03 1.60 -0.23 0.00 -0.15 0.00 0.00 55.06 56.31 3dfj s HIS 91 Cb 0.08 -3.34 -0.04 0.00 1.11 0.00 0.00 32.58 30.38 3dfj s HIS 91 CO 0.61 -1.05 0.67 -1.01 -0.85 0.00 0.00 174.74 173.11 3dfj s HIS 92 N -1.38 3.61 0.29 1.40 3.76 -1.26 -4.97 115.29 116.75 3dfj s HIS 92 Ca 0.54 1.24 0.04 0.00 -0.15 0.00 0.00 55.06 56.72 3dfj s HIS 92 Cb -0.30 -2.75 0.67 0.00 1.11 0.00 0.00 32.58 31.31 3dfj s HIS 92 CO 0.38 0.17 1.77 -0.22 -0.85 0.00 0.00 174.74 175.99 3dfj h LYS 93 N 6.41 0.71 0.00 1.40 3.64 -1.95 -1.55 116.57 125.23 3dfj h LYS 93 Ca -0.42 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3dfj h LYS 93 Cb 1.20 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3dfj h LYS 93 CO 0.74 0.47 0.00 -0.85 -2.27 0.00 0.00 179.45 177.54 3dfj n GLU 94 N -4.79 0.25 0.00 1.90 0.00 -1.26 -2.30 120.64 114.43 3dfj n GLU 94 Ca 0.21 0.11 0.12 0.00 0.00 0.00 0.00 57.16 57.61 3dfj n GLU 94 Cb 0.52 -1.50 0.27 0.00 0.00 0.00 0.00 31.44 30.73 3dfj n GLU 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dfj n ALA 95 N -1.30 3.38 -2.51 -1.84 0.00 -0.58 -4.92 120.51 112.73 3dfj n ALA 95 Ca 0.09 -0.42 -0.31 0.00 0.00 0.00 0.00 53.44 52.79 3dfj n ALA 95 Cb 0.15 -1.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 3dfj n ALA 95 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3dfj s TYR 96 N -2.68 3.45 0.08 0.00 2.02 -0.97 -0.83 117.35 118.41 3dfj s TYR 96 Ca 0.19 0.74 0.02 0.00 -0.37 0.00 0.00 57.07 57.65 3dfj s TYR 96 Cb 0.18 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.55 3dfj s TYR 96 CO 0.60 0.31 -0.07 -1.21 -1.57 0.00 0.00 175.55 173.61 3dfj s GLU 97 N -2.87 0.76 -0.14 -0.62 2.02 -0.64 -4.39 118.70 112.83 3dfj s GLU 97 Ca 0.45 -1.19 0.02 0.00 0.02 0.00 0.00 54.97 54.27 3dfj s GLU 97 Cb -0.11 -0.24 0.01 0.00 0.10 0.00 0.00 34.13 33.89 3dfj s GLU 97 CO 0.23 0.00 -0.20 0.08 0.02 0.00 0.00 175.26 175.40 3dfj s VAL 98 N -3.06 1.91 -0.25 2.63 1.01 0.34 -0.95 120.40 122.03 3dfj s VAL 98 Ca 0.06 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 3dfj s VAL 98 Cb 0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3dfj s VAL 98 CO -0.03 0.52 0.07 -0.75 0.00 0.00 0.00 175.10 174.91 3dfj s LYS 99 N 0.96 3.62 0.19 2.72 2.20 0.58 -0.78 119.74 129.23 3dfj s LYS 99 Ca -0.05 -0.50 0.08 0.00 -0.36 0.00 0.00 55.97 55.15 3dfj s LYS 99 Cb -0.15 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3dfj s LYS 99 CO -0.04 -0.20 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.22 3dfj s LEU 100 N 1.61 3.22 -1.13 5.43 1.02 0.62 -1.50 118.68 127.95 3dfj s LEU 100 Ca 0.06 -0.47 0.00 0.00 0.02 0.00 0.00 54.13 53.75 3dfj s LEU 100 Cb -0.15 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.19 3dfj s LEU 100 CO 0.03 0.08 0.00 0.61 0.02 0.00 0.00 176.35 177.10 3dfj n GLY 101 N -0.18 1.02 3.89 -3.19 0.00 -1.25 -0.85 105.19 104.62 3dfj n GLY 101 Ca -0.10 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3dfj n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfj s ALA 102 N -2.43 3.86 0.01 4.61 0.00 -1.26 -3.74 121.76 122.81 3dfj s ALA 102 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 3dfj s ALA 102 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 23.12 21.07 3dfj s ALA 102 CO 0.00 0.68 -0.04 1.58 0.00 0.00 0.00 175.76 177.98 3dfj n HIS 103 N 0.79 0.00 -3.29 0.00 -0.00 -1.26 -4.82 115.22 106.63 3dfj n HIS 103 Ca -0.08 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.67 3dfj n HIS 103 Cb 0.52 -0.06 -0.08 0.00 -0.12 0.00 0.00 29.99 30.25 3dfj n HIS 103 CO 0.00 0.00 0.00 -0.65 0.46 0.00 0.00 176.34 176.15 3dfj s GLN 104 N -1.51 3.34 0.29 1.57 -0.21 -1.26 -0.94 119.66 120.95 3dfj s GLN 104 Ca -0.03 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 54.85 3dfj s GLN 104 Cb 0.00 -3.89 0.51 0.00 1.00 0.00 0.00 33.01 30.63 3dfj s GLN 104 CO 0.05 -0.75 1.89 -0.07 -2.12 0.00 0.00 175.29 174.28 3dfj h LEU 105 N 9.08 0.94 -0.44 2.90 3.38 -0.87 -2.40 115.31 127.90 3dfj h LEU 105 Ca -0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3dfj h LEU 105 Cb 1.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3dfj h LEU 105 CO 0.78 0.58 -0.16 0.47 0.09 0.00 0.00 178.44 180.21 3dfj n ASP 106 N -4.51 0.85 -4.86 -0.43 10.43 -0.73 -4.85 116.55 112.45 3dfj n ASP 106 Ca 0.15 -0.86 -0.36 0.00 2.57 0.00 0.00 54.79 56.30 3dfj n ASP 106 Cb 0.23 0.03 -0.06 0.00 1.84 0.00 0.00 41.12 43.17 3dfj n ASP 106 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3dfj s SER 107 N -2.41 6.71 0.18 -2.24 0.01 -0.91 -5.02 113.70 110.03 3dfj s SER 107 Ca 0.29 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 58.13 3dfj s SER 107 Cb 0.20 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 64.14 3dfj s SER 107 CO 0.47 0.20 1.09 -0.47 0.41 0.00 0.00 173.24 174.95 3dfj s TYR 108 N -1.32 3.61 -0.02 2.43 6.14 -1.26 -4.89 117.35 122.04 3dfj s TYR 108 Ca 0.31 1.62 0.00 0.00 0.64 0.00 0.00 57.07 59.64 3dfj s TYR 108 Cb -0.15 -3.26 0.03 0.00 0.42 0.00 0.00 41.96 39.00 3dfj s TYR 108 CO 0.17 -0.53 0.02 0.45 0.64 0.00 0.00 175.55 176.30 3dfj s SER 109 N -0.17 0.11 0.22 4.32 0.15 -1.26 -5.00 113.70 112.06 3dfj s SER 109 Ca 0.49 0.03 0.22 0.00 0.70 0.00 0.00 55.95 57.38 3dfj s SER 109 Cb -0.29 -0.08 0.92 0.00 -1.71 0.00 0.00 66.02 64.86 3dfj s SER 109 CO 0.35 -0.12 1.66 -0.62 1.20 0.00 0.00 173.24 175.71 3dfj n GLU 110 N 4.11 0.16 0.10 5.44 1.02 -1.26 -2.71 120.64 127.49 3dfj n GLU 110 Ca -0.27 0.41 0.06 0.00 -0.02 0.00 0.00 57.16 57.34 3dfj n GLU 110 Cb 0.51 -1.82 -0.01 0.00 -0.02 0.00 0.00 31.44 30.10 3dfj n GLU 110 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3dfj h ASP 111 N 0.00 0.00 -4.13 1.62 3.32 -1.95 -3.46 116.42 111.82 3dfj h ASP 111 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 3dfj h ASP 111 Cb 0.33 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.90 3dfj h ASP 111 CO 0.00 0.27 0.37 0.00 -1.72 0.00 0.00 179.24 178.17 3dfj s ALA 112 N -3.14 2.93 0.00 3.45 0.00 -1.10 -4.64 121.76 119.26 3dfj s ALA 112 Ca 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 51.96 52.36 3dfj s ALA 112 Cb 0.08 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.01 3dfj s ALA 112 CO 0.78 -0.31 -0.00 0.15 0.00 0.00 0.00 175.76 176.38 3dfj s LYS 113 N -3.64 0.06 -0.05 0.00 -0.14 -0.03 -4.98 119.74 110.96 3dfj s LYS 113 Ca 0.63 -0.10 0.05 0.00 -1.36 0.00 0.00 55.97 55.19 3dfj s LYS 113 Cb -0.13 0.02 -0.02 0.00 -1.68 0.00 0.00 37.83 36.02 3dfj s LYS 113 CO 0.25 -0.01 -0.21 0.08 -0.76 0.00 0.00 175.35 174.71 3dfj s VAL 114 N -0.26 2.46 0.06 3.17 1.01 -1.26 -0.28 120.40 125.31 3dfj s VAL 114 Ca -0.03 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3dfj s VAL 114 Cb -0.02 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 3dfj s VAL 114 CO -0.00 0.57 -0.11 -0.55 0.00 0.00 0.00 175.10 175.02 3dfj s SER 115 N -0.39 1.29 0.66 3.32 0.15 0.04 -4.98 113.70 113.79 3dfj s SER 115 Ca 0.03 -0.63 0.04 0.00 0.70 0.00 0.00 55.95 56.10 3dfj s SER 115 Cb -0.12 -0.00 0.12 0.00 -1.71 0.00 0.00 66.02 64.31 3dfj s SER 115 CO 0.02 -0.17 0.89 0.35 1.20 0.00 0.00 173.24 175.53 3dfj n THR 116 N 1.20 0.00 -5.10 6.45 -2.24 -1.26 -0.50 114.28 112.82 3dfj n THR 116 Ca -0.21 -1.71 -0.32 0.00 -2.27 0.00 0.00 64.05 59.55 3dfj n THR 116 Cb 0.55 -0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 67.90 3dfj n THR 116 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3dfj s LEU 117 N 0.00 2.36 -0.00 3.22 1.43 -1.26 -0.97 118.68 123.45 3dfj s LEU 117 Ca 0.63 -0.37 0.22 0.00 -1.03 0.00 0.00 54.13 53.57 3dfj s LEU 117 Cb -0.04 -1.45 -0.17 0.00 0.03 0.00 0.00 46.19 44.56 3dfj s LEU 117 CO 0.41 0.30 0.90 2.29 0.23 0.00 0.00 176.35 180.48 3dfj n LYS 118 N 2.60 0.09 -3.53 1.70 2.85 0.91 -4.67 118.16 118.11 3dfj n LYS 118 Ca -0.17 -0.02 -0.17 0.00 -1.05 0.00 0.00 58.31 56.90 3dfj n LYS 118 Cb 0.52 -1.51 -0.06 0.00 -0.65 0.00 0.00 35.03 33.33 3dfj n LYS 118 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3dfj s ASP 119 N -3.22 -0.61 -0.15 -5.58 -1.08 -1.14 -4.98 116.67 99.91 3dfj s ASP 119 Ca 0.06 0.64 0.00 0.00 -0.52 0.00 0.00 52.55 52.73 3dfj s ASP 119 Cb 0.16 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 42.15 3dfj s ASP 119 CO 0.86 -0.58 -0.10 -0.63 0.52 0.00 0.00 175.17 175.24 3dfj s ILE 120 N -1.28 1.32 -0.49 4.11 1.01 -1.26 -0.95 121.20 123.66 3dfj s ILE 120 Ca -0.09 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3dfj s ILE 120 Cb -0.00 -1.34 0.13 0.00 0.01 0.00 0.00 42.46 41.26 3dfj s ILE 120 CO 0.08 0.32 0.24 -0.63 0.00 0.00 0.00 174.94 174.95 3dfj s ILE 121 N 1.57 2.24 0.53 2.92 1.01 0.66 -5.00 121.20 125.14 3dfj s ILE 121 Ca 0.03 -3.06 -0.19 0.00 0.00 0.00 0.00 60.65 57.42 3dfj s ILE 121 Cb -0.14 -2.56 -0.06 0.00 0.01 0.00 0.00 42.46 39.71 3dfj s ILE 121 CO -0.09 -0.82 1.11 -2.16 0.00 0.00 0.00 174.94 172.98 3dfj s PRO 122 N -0.06 3.45 0.28 2.79 0.04 -1.26 -1.10 135.00 139.14 3dfj s PRO 122 Ca 0.17 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 3dfj s PRO 122 Cb -0.25 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.14 3dfj s PRO 122 CO -0.00 -0.76 1.57 1.58 0.04 0.00 0.00 177.00 179.43 3dfj n HIS 123 N -1.26 2.75 0.24 0.56 -0.00 -0.43 -4.85 115.22 112.24 3dfj n HIS 123 Ca 0.11 0.27 0.18 0.00 0.46 0.00 0.00 57.72 58.74 3dfj n HIS 123 Cb 0.51 -2.58 0.88 0.00 -0.12 0.00 0.00 29.99 28.68 3dfj n HIS 123 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3dfj h PRO 124 N 4.78 0.00 0.00 1.57 0.11 -1.92 -1.51 132.00 135.03 3dfj h PRO 124 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3dfj h PRO 124 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3dfj h PRO 124 CO 0.79 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.45 3dfj n SER 125 N -3.60 0.60 -4.69 -2.05 3.41 -1.26 -4.81 113.62 101.22 3dfj n SER 125 Ca 0.00 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.77 3dfj n SER 125 Cb 0.29 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 3dfj n SER 125 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3dfj s TYR 126 N -3.13 2.90 0.00 7.33 5.04 -0.57 -4.75 117.35 124.17 3dfj s TYR 126 Ca 0.10 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.61 3dfj s TYR 126 Cb 0.13 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.81 3dfj s TYR 126 CO 0.52 -2.25 0.00 1.28 -1.34 0.00 0.00 175.55 173.76 3dfj n LEU 127 N 5.36 0.00 -5.01 6.97 4.77 -1.26 -5.00 117.00 122.83 3dfj n LEU 127 Ca 0.13 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 3dfj n LEU 127 Cb 0.44 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3dfj n LEU 127 CO 0.58 0.00 0.31 -1.10 -1.33 0.00 0.00 177.39 175.85 3dfj s GLN 128 N 1.01 2.45 0.15 3.23 -0.21 -1.26 -4.98 119.66 120.05 3dfj s GLN 128 Ca 0.00 -1.28 -0.34 0.00 0.02 0.00 0.00 55.36 53.76 3dfj s GLN 128 Cb 0.00 -2.62 -0.16 0.00 1.00 0.00 0.00 33.01 31.24 3dfj s GLN 128 CO 0.00 -0.70 1.29 -1.91 -2.12 0.00 0.00 175.29 171.85 3dfj n GLU 129 N -2.20 1.36 -0.05 2.91 2.13 -1.26 -1.70 120.64 121.83 3dfj n GLU 129 Ca 0.12 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.42 3dfj n GLU 129 Cb 0.60 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.24 3dfj n GLU 129 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dfj n GLY 130 N 2.32 1.00 3.77 8.31 0.00 -1.26 -5.06 105.19 114.27 3dfj n GLY 130 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3dfj n GLY 130 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dfj s SER 131 N -2.74 4.53 0.90 1.61 0.15 -0.69 -4.86 113.70 112.60 3dfj s SER 131 Ca 0.00 1.86 -0.11 0.00 0.70 0.00 0.00 55.95 58.40 3dfj s SER 131 Cb 0.00 -2.53 0.13 0.00 -1.71 0.00 0.00 66.02 61.92 3dfj s SER 131 CO 0.00 -2.02 1.11 -1.10 1.20 0.00 0.00 173.24 172.42 3dfj s GLN 132 N -4.80 1.18 -0.04 5.44 -0.21 -1.26 -4.09 119.66 115.88 3dfj s GLN 132 Ca 0.62 1.22 0.00 0.00 0.02 0.00 0.00 55.36 57.22 3dfj s GLN 132 Cb -0.18 -1.77 0.00 0.00 1.00 0.00 0.00 33.01 32.06 3dfj s GLN 132 CO 0.54 -2.41 0.00 0.41 -2.12 0.00 0.00 175.29 171.71 3dfj n GLY 133 N -0.38 0.39 3.34 3.09 0.00 -1.26 -3.80 105.19 106.58 3dfj n GLY 133 Ca 0.09 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 3dfj n GLY 133 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dfj n ASP 134 N 1.93 3.95 -3.62 1.61 2.03 -1.26 -4.22 116.55 116.97 3dfj n ASP 134 Ca -0.00 -2.82 -0.15 0.00 0.52 0.00 0.00 54.79 52.34 3dfj n ASP 134 Cb 0.18 -1.65 -0.07 0.00 -0.72 0.00 0.00 41.12 38.86 3dfj n ASP 134 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3dfj s ILE 135 N 5.80 0.00 -0.06 5.18 2.07 -1.26 -4.08 121.20 128.85 3dfj s ILE 135 Ca 0.57 -0.04 -0.05 0.00 -1.41 0.00 0.00 60.65 59.72 3dfj s ILE 135 Cb 0.06 -0.91 0.02 0.00 0.13 0.00 0.00 42.46 41.76 3dfj s ILE 135 CO 0.06 -0.02 0.15 0.00 -1.91 0.00 0.00 174.94 173.22 3dfj s ALA 136 N -0.32 -0.35 -0.18 1.50 0.00 0.04 -1.32 121.76 121.12 3dfj s ALA 136 Ca -0.05 0.47 -0.16 0.00 0.00 0.00 0.00 51.96 52.22 3dfj s ALA 136 Cb -0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3dfj s ALA 136 CO 0.04 -0.09 0.41 -0.51 0.00 0.00 0.00 175.76 175.62 3dfj s LEU 137 N 0.29 4.18 -0.20 0.00 1.43 -0.26 -1.29 118.68 122.84 3dfj s LEU 137 Ca -0.02 0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 3dfj s LEU 137 Cb -0.03 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 3dfj s LEU 137 CO -0.01 -0.06 -0.05 -0.76 0.23 0.00 0.00 176.35 175.70 3dfj s LEU 138 N 1.14 2.91 -0.32 1.79 1.43 0.57 -0.24 118.68 125.96 3dfj s LEU 138 Ca 0.20 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.80 3dfj s LEU 138 Cb -0.15 -1.73 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 3dfj s LEU 138 CO 0.08 0.02 0.38 -1.58 0.23 0.00 0.00 176.35 175.48 3dfj s GLN 139 N 1.22 3.69 0.53 1.70 0.74 -0.12 -1.10 119.66 126.32 3dfj s GLN 139 Ca 0.03 -0.28 -0.21 0.00 0.05 0.00 0.00 55.36 54.95 3dfj s GLN 139 Cb -0.14 -3.77 -0.05 0.00 1.10 0.00 0.00 33.01 30.15 3dfj s GLN 139 CO -0.01 -0.47 1.24 -0.51 -0.55 0.00 0.00 175.29 174.98 3dfj s LEU 140 N 2.07 3.85 0.38 3.68 1.43 0.12 -0.06 118.68 130.14 3dfj s LEU 140 Ca 0.13 2.47 0.08 0.00 -1.03 0.00 0.00 54.13 55.79 3dfj s LEU 140 Cb -0.16 -4.37 0.82 0.00 0.03 0.00 0.00 46.19 42.50 3dfj s LEU 140 CO 0.11 -1.34 1.95 0.28 0.23 0.00 0.00 176.35 177.58 3dfj h SER 141 N 1.48 0.60 -5.07 2.29 0.02 -1.33 -3.38 113.55 108.16 3dfj h SER 141 Ca -0.50 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.31 3dfj h SER 141 Cb 1.28 -0.12 -0.19 0.00 0.14 0.00 0.00 62.40 63.52 3dfj h SER 141 CO 0.58 0.37 -0.65 -0.13 -1.14 0.00 0.00 176.83 175.85 3dfj s ARG 142 N -5.61 0.45 0.43 3.45 1.81 -1.26 -4.84 118.95 113.37 3dfj s ARG 142 Ca -0.09 -0.78 -0.24 0.00 -1.72 0.00 0.00 55.73 52.89 3dfj s ARG 142 Cb 0.20 0.16 -0.08 0.00 -0.45 0.00 0.00 34.95 34.78 3dfj s ARG 142 CO 0.77 -0.09 1.20 -1.25 -0.68 0.00 0.00 175.30 175.25 3dfj s PRO 143 N -2.30 3.89 0.45 3.54 0.04 -1.26 -4.87 135.00 134.48 3dfj s PRO 143 Ca -0.08 1.90 0.01 0.00 0.04 0.00 0.00 61.00 62.86 3dfj s PRO 143 Cb -0.04 -2.58 -0.00 0.00 0.04 0.00 0.00 34.50 31.93 3dfj s PRO 143 CO -0.04 -0.48 0.66 0.96 0.04 0.00 0.00 177.00 178.15 3dfj s ILE 144 N -1.42 3.92 -0.20 0.56 -5.25 -0.02 -5.00 121.20 113.79 3dfj s ILE 144 Ca 0.60 -0.54 -0.09 0.00 -0.99 0.00 0.00 60.65 59.63 3dfj s ILE 144 Cb -0.32 -3.45 -0.05 0.00 2.95 0.00 0.00 42.46 41.60 3dfj s ILE 144 CO 0.40 -0.30 0.11 -0.89 -1.79 0.00 0.00 174.94 172.47 3dfj s THR 145 N -2.54 5.21 0.52 8.37 2.01 -1.26 -4.82 115.64 123.12 3dfj s THR 145 Ca 0.49 0.12 -0.21 0.00 0.31 0.00 0.00 61.69 62.39 3dfj s THR 145 Cb -0.10 -3.38 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 3dfj s THR 145 CO 0.37 0.43 1.20 -0.36 -0.69 0.00 0.00 174.62 175.57 3dfj s PHE 146 N 0.47 2.65 0.31 4.92 2.99 -1.26 -4.92 117.98 123.14 3dfj s PHE 146 Ca 0.06 1.51 0.03 0.00 0.00 0.00 0.00 56.93 58.53 3dfj s PHE 146 Cb -0.12 -3.44 -0.01 0.00 0.00 0.00 0.00 43.02 39.45 3dfj s PHE 146 CO -0.00 -1.87 0.35 -1.13 -0.00 0.00 0.00 175.22 172.56 3dfj n SER 147 N -0.96 -0.94 0.16 1.36 3.41 -0.24 -4.96 113.62 111.46 3dfj n SER 147 Ca 0.10 -2.90 0.13 0.00 -0.26 0.00 0.00 58.87 55.94 3dfj n SER 147 Cb 0.48 1.92 0.55 0.00 -0.26 0.00 0.00 64.21 66.90 3dfj n SER 147 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3dfj h ARG 148 N 0.00 0.00 0.00 4.33 3.08 -1.99 -2.60 114.38 117.20 3dfj h ARG 148 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3dfj h ARG 148 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3dfj h ARG 148 CO 0.33 0.00 -1.21 0.66 -1.07 0.00 0.00 179.97 178.67 3dfj n TYR 149 N -2.37 0.00 -3.74 3.04 4.02 -1.26 -4.84 117.16 112.01 3dfj n TYR 149 Ca 0.01 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.60 3dfj n TYR 149 Cb 0.21 -0.13 -0.15 0.00 -0.02 0.00 0.00 39.34 39.25 3dfj n TYR 149 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3dfj s ILE 150 N -3.03 0.89 0.01 -0.72 1.01 -0.98 -3.93 121.20 114.44 3dfj s ILE 150 Ca 0.03 -1.42 0.00 0.00 0.00 0.00 0.00 60.65 59.27 3dfj s ILE 150 Cb 0.15 -1.68 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 3dfj s ILE 150 CO 0.83 -0.68 -0.02 -0.13 0.00 0.00 0.00 174.94 174.95 3dfj s ARG 151 N 1.60 0.15 0.47 2.79 1.81 -0.89 -1.08 118.95 123.80 3dfj s ARG 151 Ca 0.10 -0.20 -0.21 0.00 -1.72 0.00 0.00 55.73 53.70 3dfj s ARG 151 Cb -0.17 -0.04 -0.09 0.00 -0.45 0.00 0.00 34.95 34.20 3dfj s ARG 151 CO -0.25 0.00 1.03 -1.25 -0.68 0.00 0.00 175.30 174.15 3dfj s PRO 152 N -0.43 3.91 0.03 3.54 0.04 -1.26 -2.60 135.00 138.24 3dfj s PRO 152 Ca -0.04 1.34 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 3dfj s PRO 152 Cb -0.03 -2.16 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 3dfj s PRO 152 CO -0.00 -0.33 0.48 -1.50 0.04 0.00 0.00 177.00 175.69 3dfj s ILE 153 N -1.97 4.91 0.28 0.56 2.07 -0.55 -4.90 121.20 121.60 3dfj s ILE 153 Ca 0.65 1.01 -0.29 0.00 -1.41 0.00 0.00 60.65 60.60 3dfj s ILE 153 Cb -0.16 -3.80 -0.10 0.00 0.13 0.00 0.00 42.46 38.54 3dfj s ILE 153 CO 0.20 0.56 1.39 -0.44 -1.91 0.00 0.00 174.94 174.74 3dfj s SER 154 N -1.05 6.69 0.00 4.50 0.01 -1.25 -4.72 113.70 117.88 3dfj s SER 154 Ca 0.26 2.69 -0.14 0.00 1.31 0.00 0.00 55.95 60.07 3dfj s SER 154 Cb -0.18 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.36 3dfj s SER 154 CO 0.16 -0.65 0.40 -0.76 0.41 0.00 0.00 173.24 172.80 3dfj s LEU 155 N -0.96 4.46 0.45 2.44 1.43 -1.26 -1.32 118.68 123.91 3dfj s LEU 155 Ca 0.55 0.94 -0.22 0.00 -1.03 0.00 0.00 54.13 54.37 3dfj s LEU 155 Cb -0.41 -2.60 -0.09 0.00 0.03 0.00 0.00 46.19 43.12 3dfj s LEU 155 CO 0.48 0.32 1.06 -2.16 0.23 0.00 0.00 176.35 176.27 3dfj s PRO 156 N -1.15 3.95 0.91 1.29 0.04 -1.26 -4.93 135.00 133.85 3dfj s PRO 156 Ca 0.24 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.64 3dfj s PRO 156 Cb -0.16 -2.32 0.14 0.00 0.04 0.00 0.00 34.50 32.20 3dfj s PRO 156 CO 0.13 -0.32 1.10 0.00 0.04 0.00 0.00 177.00 177.96 3dfj s ALA 157 N -1.79 1.38 0.37 8.56 0.00 -1.26 -4.53 121.76 124.49 3dfj s ALA 157 Ca 0.63 0.27 0.11 0.00 0.00 0.00 0.00 51.96 52.97 3dfj s ALA 157 Cb -0.20 -3.33 0.87 0.00 0.00 0.00 0.00 23.12 20.47 3dfj s ALA 157 CO 0.25 -2.61 1.87 0.00 0.00 0.00 0.00 175.76 175.27 3dfj h ALA 158 N -1.74 1.90 -0.68 0.00 0.00 -1.93 -2.14 119.26 114.67 3dfj h ALA 158 Ca -0.47 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3dfj h ALA 158 Cb 1.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dfj h ALA 158 CO 0.48 -0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.67 3dfj n ASN 159 N -4.55 3.88 -4.71 0.00 4.13 -1.26 -4.67 115.26 108.07 3dfj n ASN 159 Ca 0.17 -2.00 -0.42 0.00 1.68 0.00 0.00 54.58 54.02 3dfj n ASN 159 Cb 0.51 -0.45 -0.03 0.00 -1.54 0.00 0.00 39.78 38.27 3dfj n ASN 159 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dfj s ALA 160 N -1.08 3.63 -0.12 5.41 0.00 -0.81 -5.01 121.76 123.78 3dfj s ALA 160 Ca 0.47 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.61 3dfj s ALA 160 Cb 0.25 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3dfj s ALA 160 CO 0.33 -0.69 -0.22 -1.54 0.00 0.00 0.00 175.76 173.64 3dfj s SER 161 N 1.25 3.18 -0.23 0.00 1.04 -1.26 -4.92 113.70 112.75 3dfj s SER 161 Ca 0.66 -0.56 -0.05 0.00 0.48 0.00 0.00 55.95 56.48 3dfj s SER 161 Cb -0.38 -1.44 -0.01 0.00 0.10 0.00 0.00 66.02 64.29 3dfj s SER 161 CO 0.30 0.12 -0.01 -0.36 0.98 0.00 0.00 173.24 174.27 3dfj s PHE 162 N 0.56 3.00 0.44 5.02 0.40 -1.26 -5.08 117.98 121.05 3dfj s PHE 162 Ca -0.13 -0.85 -0.22 0.00 -0.60 0.00 0.00 56.93 55.13 3dfj s PHE 162 Cb -0.17 -2.14 -0.09 0.00 0.51 0.00 0.00 43.02 41.13 3dfj s PHE 162 CO 0.04 -0.51 1.06 -1.25 0.70 0.00 0.00 175.22 175.25 3dfj s PRO 163 N 1.51 3.99 0.18 0.24 0.04 -1.26 -4.97 135.00 134.72 3dfj s PRO 163 Ca 0.06 1.48 -0.32 0.00 0.04 0.00 0.00 61.00 62.25 3dfj s PRO 163 Cb -0.15 -2.36 -0.16 0.00 0.04 0.00 0.00 34.50 31.87 3dfj s PRO 163 CO -0.02 -0.29 1.08 0.09 0.04 0.00 0.00 177.00 177.90 3dfj n ASN 164 N -0.45 1.00 0.00 6.66 3.02 -1.26 -1.82 115.26 122.41 3dfj n ASN 164 Ca 0.07 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.76 3dfj n ASN 164 Cb 0.51 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 3dfj n ASN 164 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dfj n GLY 165 N 1.88 1.62 3.74 7.41 0.00 -0.27 -4.92 105.19 114.66 3dfj n GLY 165 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3dfj n GLY 165 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dfj n LEU 166 N 0.00 4.34 -4.48 0.99 7.94 -0.76 -4.45 117.00 120.59 3dfj n LEU 166 Ca 0.00 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.61 3dfj n LEU 166 Cb 0.00 -1.59 -0.03 0.00 0.53 0.00 0.00 43.42 42.32 3dfj n LEU 166 CO 0.00 0.16 0.95 -1.00 -1.11 0.00 0.00 177.39 176.39 3dfj s HIS 167 N 0.11 2.70 0.54 1.96 3.76 -1.26 -1.45 115.29 121.65 3dfj s HIS 167 Ca 0.65 -0.70 0.09 0.00 -0.15 0.00 0.00 55.06 54.95 3dfj s HIS 167 Cb -0.50 -4.38 0.07 0.00 1.11 0.00 0.00 32.58 28.88 3dfj s HIS 167 CO 0.47 -1.71 0.73 0.00 -0.85 0.00 0.00 174.74 173.38 3dfj s THR 169 N -2.61 1.31 -0.09 0.00 2.01 0.06 -0.23 115.64 116.09 3dfj s THR 169 Ca 0.59 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 3dfj s THR 169 Cb -0.06 -1.16 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3dfj s THR 169 CO 0.37 0.39 -0.00 0.54 -0.69 0.00 0.00 174.62 175.23 3dfj s VAL 170 N 0.38 4.28 0.10 3.82 0.11 -0.40 -0.62 120.40 128.07 3dfj s VAL 170 Ca -0.11 -0.26 0.05 0.00 -2.93 0.00 0.00 61.98 58.73 3dfj s VAL 170 Cb -0.14 -2.80 -0.03 0.00 -1.53 0.00 0.00 36.38 31.87 3dfj s VAL 170 CO 0.04 0.60 -0.12 0.42 -3.33 0.00 0.00 175.10 172.70 3dfj s THR 171 N -0.78 1.11 0.00 5.04 -4.23 -1.22 -1.07 115.64 114.50 3dfj s THR 171 Ca 0.12 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3dfj s THR 171 Cb -0.11 -1.35 0.00 0.00 1.34 0.00 0.00 72.50 72.38 3dfj s THR 171 CO 0.02 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 3dfj n GLY 172 N 0.71 0.57 1.05 3.99 0.00 -0.62 -4.51 105.19 106.39 3dfj n GLY 172 Ca -0.17 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 44.92 3dfj n GLY 172 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dfj n TRP 173 N -0.48 1.12 -1.03 1.61 8.01 -1.26 -1.99 117.44 123.42 3dfj n TRP 173 Ca 0.00 -0.85 -0.14 0.00 -1.31 0.00 0.00 57.50 55.20 3dfj n TRP 173 Cb 0.00 -0.34 0.11 0.00 -2.01 0.00 0.00 31.31 29.07 3dfj n TRP 173 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dfj n GLY 174 N -0.32 -2.09 3.65 6.99 0.00 -1.26 -4.65 105.19 107.52 3dfj n GLY 174 Ca 0.22 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 3dfj n GLY 174 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dfj n HIS 175 N -3.32 1.31 1.10 1.61 8.25 -0.60 -3.32 115.22 120.24 3dfj n HIS 175 Ca 0.07 0.46 0.12 0.00 -0.26 0.00 0.00 57.72 58.11 3dfj n HIS 175 Cb 0.28 -2.22 0.15 0.00 1.12 0.00 0.00 29.99 29.31 3dfj n HIS 175 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 3dfj n VAL 176 N -1.29 0.00 -3.50 1.59 0.24 -0.32 -0.40 118.33 114.65 3dfj n VAL 176 Ca 0.12 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 62.08 3dfj n VAL 176 Cb 0.45 1.00 -0.02 0.00 -1.47 0.00 0.00 33.84 33.80 3dfj n VAL 176 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dfj s ALA 177 N -2.40 -1.82 -0.01 2.33 0.00 -1.21 -4.22 121.76 114.42 3dfj s ALA 177 Ca 0.22 1.00 -0.38 0.00 0.00 0.00 0.00 51.96 52.81 3dfj s ALA 177 Cb 0.19 0.42 -0.16 0.00 0.00 0.00 0.00 23.12 23.57 3dfj s ALA 177 CO 0.51 -0.69 1.46 -2.30 0.00 0.00 0.00 175.76 174.75 3dfj n PRO 178 N -0.24 1.18 -0.92 0.00 -0.02 -1.26 -0.75 135.00 132.99 3dfj n PRO 178 Ca -0.09 0.43 -0.02 0.00 -2.02 0.00 0.00 63.50 61.80 3dfj n PRO 178 Cb 0.62 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 3dfj n PRO 178 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3dfj n SER 179 N 3.36 -5.14 -4.16 2.55 7.64 -1.26 -4.94 113.62 111.67 3dfj n SER 179 Ca 0.21 0.04 -0.35 0.00 1.01 0.00 0.00 58.87 59.78 3dfj n SER 179 Cb 0.18 -3.20 -0.13 0.00 -1.01 0.00 0.00 64.21 60.05 3dfj n SER 179 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dfj s VAL 180 N -1.02 3.06 0.52 0.44 1.01 0.07 -5.09 120.40 119.39 3dfj s VAL 180 Ca 0.00 -1.57 -0.21 0.00 0.00 0.00 0.00 61.98 60.19 3dfj s VAL 180 Cb 0.00 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 3dfj s VAL 180 CO 0.00 -0.27 1.22 -0.44 0.00 0.00 0.00 175.10 175.62 3dfj s SER 181 N 1.38 5.64 0.14 3.32 0.01 -1.26 -1.17 113.70 121.76 3dfj s SER 181 Ca -0.01 2.44 -0.31 0.00 1.31 0.00 0.00 55.95 59.37 3dfj s SER 181 Cb -0.20 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.31 3dfj s SER 181 CO -0.02 -1.29 1.78 -0.22 0.41 0.00 0.00 173.24 173.90 3dfj s LEU 182 N -3.49 4.39 0.41 2.44 2.96 -1.26 -4.61 118.68 119.52 3dfj s LEU 182 Ca 0.70 2.76 -0.23 0.00 -0.22 0.00 0.00 54.13 57.15 3dfj s LEU 182 Cb -0.32 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.70 3dfj s LEU 182 CO 0.37 -0.98 0.99 -0.76 -1.32 0.00 0.00 176.35 174.65 3dfj s LEU 183 N 2.23 4.06 0.33 -0.68 1.43 -1.26 -4.77 118.68 120.02 3dfj s LEU 183 Ca 0.78 1.85 -0.27 0.00 -1.03 0.00 0.00 54.13 55.47 3dfj s LEU 183 Cb -0.46 -4.34 -0.13 0.00 0.03 0.00 0.00 46.19 41.28 3dfj s LEU 183 CO 0.35 -0.41 0.97 1.07 0.23 0.00 0.00 176.35 178.56 3dfj n THR 184 N -0.30 2.09 1.26 5.49 5.66 -1.26 -0.88 114.28 126.34 3dfj n THR 184 Ca 0.06 -0.50 0.02 0.00 -3.05 0.00 0.00 64.05 60.58 3dfj n THR 184 Cb 0.52 -1.00 0.08 0.00 -1.55 0.00 0.00 70.33 68.38 3dfj n THR 184 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3dfj n PRO 185 N 0.56 1.49 -2.81 1.09 -0.04 -1.26 -4.99 135.00 129.04 3dfj n PRO 185 Ca 0.10 -0.61 -0.09 0.00 -0.04 0.00 0.00 63.50 62.86 3dfj n PRO 185 Cb 0.34 -1.26 0.04 0.00 -0.04 0.00 0.00 33.50 32.59 3dfj n PRO 185 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3dfj n LYS 186 N 0.01 -1.57 -2.23 0.54 5.02 -0.05 -1.78 118.16 118.10 3dfj n LYS 186 Ca 0.06 0.80 -0.41 0.00 -2.02 0.00 0.00 58.31 56.74 3dfj n LYS 186 Cb 0.22 -4.81 -0.03 0.00 -0.02 0.00 0.00 35.03 30.38 3dfj n LYS 186 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3dfj s PRO 187 N -3.83 4.44 0.21 1.97 0.04 -1.26 -1.87 135.00 134.69 3dfj s PRO 187 Ca 0.28 2.08 -0.32 0.00 0.04 0.00 0.00 61.00 63.07 3dfj s PRO 187 Cb -0.04 -3.13 -0.13 0.00 0.04 0.00 0.00 34.50 31.24 3dfj s PRO 187 CO 0.57 -0.10 1.52 -0.11 0.04 0.00 0.00 177.00 178.92 3dfj n LEU 188 N 1.31 3.31 -4.91 -3.56 7.94 -0.11 -4.87 117.00 116.10 3dfj n LEU 188 Ca 0.01 1.11 -0.31 0.00 -1.11 0.00 0.00 56.01 55.71 3dfj n LEU 188 Cb 0.43 -1.46 -0.04 0.00 0.53 0.00 0.00 43.42 42.88 3dfj n LEU 188 CO 0.58 -0.29 -0.16 -1.10 -1.11 0.00 0.00 177.39 175.31 3dfj s GLN 189 N 0.20 3.40 0.06 1.96 -1.52 -0.84 -0.77 119.66 122.14 3dfj s GLN 189 Ca 0.72 -0.46 0.03 0.00 -1.95 0.00 0.00 55.36 53.71 3dfj s GLN 189 Cb -0.63 -3.02 -0.03 0.00 -0.22 0.00 0.00 33.01 29.11 3dfj s GLN 189 CO 0.44 0.61 -0.10 1.14 -0.25 0.00 0.00 175.29 177.13 3dfj s GLN 190 N -2.49 0.66 -0.15 2.91 -2.07 0.45 -1.58 119.66 117.38 3dfj s GLN 190 Ca 0.34 -0.89 -0.07 0.00 -1.82 0.00 0.00 55.36 52.92 3dfj s GLN 190 Cb -0.13 -0.46 0.06 0.00 -1.09 0.00 0.00 33.01 31.39 3dfj s GLN 190 CO 0.27 0.09 0.35 -1.17 -1.32 0.00 0.00 175.29 173.51 3dfj s LEU 191 N -1.80 -0.07 -0.00 2.60 2.96 -0.23 -1.13 118.68 121.00 3dfj s LEU 191 Ca -0.05 0.77 -0.30 0.00 -0.22 0.00 0.00 54.13 54.33 3dfj s LEU 191 Cb -0.08 1.09 -0.04 0.00 0.50 0.00 0.00 46.19 47.66 3dfj s LEU 191 CO 0.01 -0.20 1.12 -0.70 -1.32 0.00 0.00 176.35 175.26 3dfj s GLU 192 N 1.69 4.45 -0.04 1.98 2.12 -1.26 -1.27 118.70 126.36 3dfj s GLU 192 Ca -0.07 1.62 0.00 0.00 0.36 0.00 0.00 54.97 56.88 3dfj s GLU 192 Cb -0.10 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.87 3dfj s GLU 192 CO -0.11 -0.25 -0.02 0.14 -0.54 0.00 0.00 175.26 174.48 3dfj s VAL 193 N 1.43 0.36 0.31 3.70 -7.23 0.69 -4.98 120.40 114.68 3dfj s VAL 193 Ca 0.55 0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.45 3dfj s VAL 193 Cb -0.25 -0.44 -0.09 0.00 0.56 0.00 0.00 36.38 36.16 3dfj s VAL 193 CO 0.26 0.20 1.03 -2.16 -0.31 0.00 0.00 175.10 174.12 3dfj s PRO 194 N 1.16 4.55 0.28 4.82 0.04 -1.26 -1.28 135.00 143.31 3dfj s PRO 194 Ca -0.08 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 3dfj s PRO 194 Cb -0.14 -2.97 -0.10 0.00 0.04 0.00 0.00 34.50 31.33 3dfj s PRO 194 CO -0.02 0.20 1.34 -0.51 0.04 0.00 0.00 177.00 178.05 3dfj s LEU 195 N -1.80 4.42 -0.09 -3.56 1.43 -0.53 -1.76 118.68 116.79 3dfj s LEU 195 Ca 0.48 2.61 0.02 0.00 -1.03 0.00 0.00 54.13 56.21 3dfj s LEU 195 Cb -0.26 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.34 3dfj s LEU 195 CO 0.33 -0.56 -0.14 -0.63 0.23 0.00 0.00 176.35 175.57 3dfj s ILE 196 N -0.56 1.38 0.73 -0.59 1.01 0.40 -1.11 121.20 122.46 3dfj s ILE 196 Ca 0.53 -0.59 -0.16 0.00 0.00 0.00 0.00 60.65 60.44 3dfj s ILE 196 Cb -0.39 -1.26 0.03 0.00 0.01 0.00 0.00 42.46 40.84 3dfj s ILE 196 CO 0.47 0.42 1.12 -1.54 0.00 0.00 0.00 174.94 175.41 3dfj n SER 197 N 4.06 1.06 0.14 3.58 3.41 -1.26 -1.40 113.62 123.22 3dfj n SER 197 Ca -0.20 0.69 0.05 0.00 -0.26 0.00 0.00 58.87 59.15 3dfj n SER 197 Cb 0.51 -1.48 0.51 0.00 -0.26 0.00 0.00 64.21 63.50 3dfj n SER 197 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3dfj h ARG 198 N -0.25 0.23 -0.18 4.33 0.11 -1.93 -0.78 114.38 115.92 3dfj h ARG 198 Ca -0.48 -0.02 -0.05 0.00 0.10 0.00 0.00 59.98 59.53 3dfj h ARG 198 Cb 1.32 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 32.35 3dfj h ARG 198 CO 0.48 0.20 -0.07 0.93 0.10 0.00 0.00 179.97 181.61 3dfj h GLU 199 N 0.24 0.36 -0.64 0.08 3.07 -1.93 0.86 114.58 116.62 3dfj h GLU 199 Ca 0.06 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 58.73 3dfj h GLU 199 Cb 0.06 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 3dfj h GLU 199 CO -0.01 0.65 0.22 1.15 -1.40 0.00 0.00 179.01 179.62 3dfj h THR 200 N 0.06 1.24 -0.46 1.13 2.02 -1.87 -2.81 112.91 112.21 3dfj h THR 200 Ca 0.04 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 3dfj h THR 200 Cb 0.53 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3dfj h THR 200 CO 0.02 0.31 0.26 0.00 0.37 0.00 0.00 175.52 176.48 3dfj h ASN 202 N 0.61 0.97 -0.37 0.00 2.35 -0.75 -0.33 115.58 118.05 3dfj h ASN 202 Ca 0.16 -0.01 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 3dfj h ASN 202 Cb 0.04 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3dfj h ASN 202 CO -0.03 0.67 -0.14 0.00 -1.65 0.00 0.00 177.43 176.28 3dfj h ALA 203 N 1.37 0.92 -0.35 -0.83 0.00 -1.18 -2.29 119.26 116.90 3dfj h ALA 203 Ca 0.36 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dfj h ALA 203 Cb -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3dfj h ALA 203 CO -0.12 0.62 0.09 -0.07 0.00 0.00 0.00 179.25 179.78 3dfj h LEU 204 N 0.74 0.52 -2.18 0.00 3.38 -0.66 -2.78 115.31 114.33 3dfj h LEU 204 Ca 0.12 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3dfj h LEU 204 Cb 0.64 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dfj h LEU 204 CO 0.05 0.61 -0.06 1.88 0.09 0.00 0.00 178.44 181.00 3dfj h TYR 205 N 0.41 0.00 0.00 1.13 0.05 -0.94 -1.54 116.97 116.08 3dfj h TYR 205 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3dfj h TYR 205 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3dfj h TYR 205 CO 0.01 0.06 0.00 0.09 -1.05 0.00 0.00 178.16 177.27 3dfj n ASN 206 N -3.80 0.17 -4.66 3.88 3.02 -0.87 -4.26 115.26 108.73 3dfj n ASN 206 Ca -0.02 0.52 -0.43 0.00 -0.03 0.00 0.00 54.58 54.62 3dfj n ASN 206 Cb 0.16 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 3dfj n ASN 206 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dfj s ILE 207 N -3.03 4.47 -1.57 2.41 1.01 -0.58 -3.40 121.20 120.50 3dfj s ILE 207 Ca 0.12 1.78 -0.15 0.00 0.00 0.00 0.00 60.65 62.40 3dfj s ILE 207 Cb 0.16 -4.15 0.10 0.00 0.01 0.00 0.00 42.46 38.58 3dfj s ILE 207 CO 0.48 -0.14 0.94 0.47 0.00 0.00 0.00 174.94 176.69 3dfj n ASP 208 N 6.33 -4.41 -4.79 3.58 8.00 -1.26 -4.95 116.55 119.05 3dfj n ASP 208 Ca 0.13 -0.84 -0.33 0.00 0.71 0.00 0.00 54.79 54.46 3dfj n ASP 208 Cb 0.46 -3.62 0.02 0.00 -0.02 0.00 0.00 41.12 37.96 3dfj n ASP 208 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dfj s ALA 209 N -3.31 2.65 -0.07 2.24 0.00 -1.22 -5.06 121.76 116.99 3dfj s ALA 209 Ca 0.67 0.43 0.05 0.00 0.00 0.00 0.00 51.96 53.11 3dfj s ALA 209 Cb -0.34 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 3dfj s ALA 209 CO 0.85 -0.98 -0.24 0.15 0.00 0.00 0.00 175.76 175.54 3dfj s LYS 210 N -4.13 2.69 0.56 0.00 1.02 -1.26 -5.02 119.74 113.61 3dfj s LYS 210 Ca 0.64 -0.89 0.27 0.00 0.02 0.00 0.00 55.97 56.01 3dfj s LYS 210 Cb -0.17 -2.21 1.66 0.00 -0.52 0.00 0.00 37.83 36.58 3dfj s LYS 210 CO 0.39 0.34 2.20 -1.00 -0.92 0.00 0.00 175.35 176.36 3dfj h PRO 211 N 6.21 0.00 0.00 -1.68 0.13 -2.02 -1.00 132.00 133.65 3dfj h PRO 211 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3dfj h PRO 211 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dfj h PRO 211 CO 0.47 0.03 0.00 -0.85 -0.23 0.00 0.00 178.00 177.42 3dfj n GLU 212 N -3.94 0.19 -3.40 0.86 0.00 -1.26 -4.08 120.64 109.02 3dfj n GLU 212 Ca -0.03 0.27 -0.26 0.00 0.00 0.00 0.00 57.16 57.14 3dfj n GLU 212 Cb 0.11 -1.77 -0.09 0.00 0.00 0.00 0.00 31.44 29.69 3dfj n GLU 212 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 3dfj n GLU 213 N -2.12 1.40 -2.24 3.44 2.13 -0.38 -5.11 120.64 117.76 3dfj n GLU 213 Ca 0.04 -3.89 -0.39 0.00 0.66 0.00 0.00 57.16 53.59 3dfj n GLU 213 Cb 0.33 -1.79 -0.02 0.00 0.27 0.00 0.00 31.44 30.24 3dfj n GLU 213 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3dfj s PRO 214 N -1.47 4.14 -0.03 5.31 0.02 -1.25 -4.52 135.00 137.21 3dfj s PRO 214 Ca 0.35 1.95 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 3dfj s PRO 214 Cb 0.11 -2.80 0.01 0.00 0.02 0.00 0.00 34.50 31.84 3dfj s PRO 214 CO -0.10 -0.28 0.08 -1.01 -0.33 0.00 0.00 177.00 175.36 3dfj s HIS 215 N -1.32 -0.07 -0.12 6.54 3.76 -1.26 -5.05 115.29 117.77 3dfj s HIS 215 Ca 0.55 0.17 -0.06 0.00 -0.15 0.00 0.00 55.06 55.57 3dfj s HIS 215 Cb -0.34 0.02 0.05 0.00 1.11 0.00 0.00 32.58 33.43 3dfj s HIS 215 CO 0.43 -0.05 0.27 0.12 -0.85 0.00 0.00 174.74 174.66 3dfj s PHE 216 N -0.05 -0.39 -0.43 1.40 2.19 -1.26 -4.97 117.98 114.47 3dfj s PHE 216 Ca -0.01 0.90 -0.25 0.00 0.33 0.00 0.00 56.93 57.90 3dfj s PHE 216 Cb -0.01 0.05 0.02 0.00 -1.31 0.00 0.00 43.02 41.77 3dfj s PHE 216 CO 0.00 -0.28 0.89 0.08 1.83 0.00 0.00 175.22 177.74 3dfj s VAL 217 N 1.60 4.55 0.94 3.12 1.01 -1.26 -4.98 120.40 125.38 3dfj s VAL 217 Ca -0.06 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 62.56 3dfj s VAL 217 Cb -0.11 -4.37 0.16 0.00 0.00 0.00 0.00 36.38 32.06 3dfj s VAL 217 CO -0.09 -0.72 1.15 -1.10 0.00 0.00 0.00 175.10 174.34 3dfj s GLN 218 N 3.56 0.90 0.59 2.72 -1.52 -1.26 -4.91 119.66 119.74 3dfj s GLN 218 Ca 0.35 0.19 0.38 0.00 -1.95 0.00 0.00 55.36 54.33 3dfj s GLN 218 Cb -0.11 -1.82 1.77 0.00 -0.22 0.00 0.00 33.01 32.63 3dfj s GLN 218 CO 0.23 -2.34 2.13 0.93 -0.25 0.00 0.00 175.29 175.99 3dfj h GLU 219 N -1.60 0.00 -0.70 2.91 5.08 -2.01 -1.67 114.58 116.59 3dfj h GLU 219 Ca -0.49 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 3dfj h GLU 219 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.54 3dfj h GLU 219 CO 0.57 0.00 0.07 -0.40 -1.00 0.00 0.00 179.01 178.25 3dfj n ASP 220 N -3.08 4.78 -4.30 1.42 5.75 -1.26 -4.95 116.55 114.92 3dfj n ASP 220 Ca -0.01 -2.85 -0.19 0.00 -0.01 0.00 0.00 54.79 51.74 3dfj n ASP 220 Cb 0.22 -0.67 -0.11 0.00 -1.03 0.00 0.00 41.12 39.53 3dfj n ASP 220 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3dfj s MET 221 N -2.50 1.20 0.16 0.11 -1.94 -0.63 -0.69 119.30 115.00 3dfj s MET 221 Ca 0.46 -1.43 0.01 0.00 -1.71 0.00 0.00 55.69 53.02 3dfj s MET 221 Cb 0.35 -1.05 -0.04 0.00 2.01 0.00 0.00 34.83 36.10 3dfj s MET 221 CO 0.13 0.19 0.02 0.54 -0.01 0.00 0.00 175.02 175.88 3dfj s VAL 222 N -2.55 0.51 0.41 -6.03 0.11 -0.10 -4.57 120.40 108.18 3dfj s VAL 222 Ca 0.16 -1.96 0.07 0.00 -2.93 0.00 0.00 61.98 57.33 3dfj s VAL 222 Cb -0.03 -2.09 -0.06 0.00 -1.53 0.00 0.00 36.38 32.67 3dfj s VAL 222 CO 0.05 -0.48 0.09 0.00 -3.33 0.00 0.00 175.10 171.43 3dfj s ALA 224 N -2.64 -1.72 0.00 0.00 0.00 -0.76 -0.45 121.76 116.19 3dfj s ALA 224 Ca 0.38 2.00 0.00 0.00 0.00 0.00 0.00 51.96 54.34 3dfj s ALA 224 Cb 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 22.01 3dfj s ALA 224 CO 0.20 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.04 3dfj n GLY 225 N 2.96 0.32 3.06 0.00 0.00 -0.72 -2.11 105.19 108.70 3dfj n GLY 225 Ca -0.15 -1.19 -0.13 0.00 0.00 0.00 0.00 46.02 44.55 3dfj n GLY 225 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dfj s TYR 226 N -4.00 0.67 0.13 1.61 2.02 -1.26 -4.23 117.35 112.28 3dfj s TYR 226 Ca 0.00 -0.52 -0.10 0.00 -0.37 0.00 0.00 57.07 56.08 3dfj s TYR 226 Cb 0.00 -0.40 -0.09 0.00 -0.40 0.00 0.00 41.96 41.07 3dfj s TYR 226 CO 0.00 -0.09 1.37 0.28 -1.57 0.00 0.00 175.55 175.53 3dfj h VAL 227 N 4.42 1.29 -3.94 0.71 2.07 -1.98 -3.40 116.25 115.43 3dfj h VAL 227 Ca -0.36 -1.91 -0.46 0.00 0.82 0.00 0.00 66.70 64.79 3dfj h VAL 227 Cb 1.20 1.88 0.16 0.00 -1.52 0.00 0.00 31.29 33.00 3dfj h VAL 227 CO 0.42 0.61 0.21 -1.61 0.02 0.00 0.00 177.57 177.21 3dfj s GLU 228 N -3.86 0.65 0.65 1.57 8.01 -1.26 -0.90 118.70 123.55 3dfj s GLU 228 Ca -0.10 0.59 -0.05 0.00 0.01 0.00 0.00 54.97 55.42 3dfj s GLU 228 Cb 0.09 -1.76 0.04 0.00 -4.31 0.00 0.00 34.13 28.20 3dfj s GLU 228 CO 0.89 -2.60 0.94 0.20 0.01 0.00 0.00 175.26 174.70 3dfj s GLY 229 N -3.46 1.69 0.00 -1.39 0.00 -1.26 -4.53 107.32 98.37 3dfj s GLY 229 Ca 0.65 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.42 3dfj s GLY 229 CO 0.57 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.68 3dfj n GLY 230 N -2.73 1.51 2.55 0.20 0.00 0.14 -4.97 105.19 101.90 3dfj n GLY 230 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3dfj n GLY 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dfj s LYS 231 N -0.51 0.51 0.27 1.61 1.02 -1.26 -3.40 119.74 117.98 3dfj s LYS 231 Ca 0.00 -1.07 -0.18 0.00 0.02 0.00 0.00 55.97 54.74 3dfj s LYS 231 Cb 0.00 -1.44 0.07 0.00 -0.52 0.00 0.00 37.83 35.94 3dfj s LYS 231 CO 0.00 -1.11 0.91 -3.47 -0.92 0.00 0.00 175.35 170.76 3dfj n ASP 232 N 4.54 -1.96 -4.78 2.83 2.03 -0.94 -4.52 116.55 113.75 3dfj n ASP 232 Ca 0.03 -2.19 -0.34 0.00 0.52 0.00 0.00 54.79 52.81 3dfj n ASP 232 Cb 0.39 3.22 0.02 0.00 -0.72 0.00 0.00 41.12 44.03 3dfj n ASP 232 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3dfj s ALA 233 N -2.04 2.65 0.37 -1.67 0.00 -1.26 -0.84 121.76 118.97 3dfj s ALA 233 Ca 0.19 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3dfj s ALA 233 Cb -0.04 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3dfj s ALA 233 CO 0.08 -0.90 0.10 0.00 0.00 0.00 0.00 175.76 175.04 3dfj n GLN 235 N -0.81 2.22 0.00 0.00 10.64 -1.19 -1.34 117.38 126.91 3dfj n GLN 235 Ca -0.04 0.81 0.00 0.00 -1.83 0.00 0.00 57.00 55.93 3dfj n GLN 235 Cb 0.66 -2.60 0.00 0.00 -0.86 0.00 0.00 30.24 27.43 3dfj n GLN 235 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3dfj n GLY 236 N 3.69 2.19 0.12 2.61 0.00 -1.26 -1.56 105.19 110.98 3dfj n GLY 236 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3dfj n GLY 236 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dfj h ASP 237 N 0.00 0.00 -4.17 1.61 3.32 -1.50 -3.32 116.42 112.37 3dfj h ASP 237 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3dfj h ASP 237 Cb 0.00 0.00 0.17 0.00 0.22 0.00 0.00 39.33 39.72 3dfj h ASP 237 CO 0.00 0.17 0.41 -0.94 -1.72 0.00 0.00 179.24 177.16 3dfj s SER 238 N -5.62 3.94 0.00 6.45 1.04 -1.26 -1.84 113.70 116.41 3dfj s SER 238 Ca -0.00 2.48 0.00 0.00 0.48 0.00 0.00 55.95 58.91 3dfj s SER 238 Cb 0.09 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.61 3dfj s SER 238 CO 0.78 -2.44 0.00 0.61 0.98 0.00 0.00 173.24 173.17 3dfj n GLY 239 N 0.68 2.94 3.82 7.32 0.00 0.14 -0.40 105.19 119.68 3dfj n GLY 239 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3dfj n GLY 239 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dfj s GLY 240 N -1.51 1.61 0.23 -0.02 0.00 -0.76 -3.46 107.32 103.41 3dfj s GLY 240 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 44.72 43.73 3dfj s GLY 240 CO 0.00 -0.10 0.89 2.56 0.00 0.00 0.00 173.10 176.45 3dfj s PRO 241 N -5.47 4.74 -0.43 2.90 0.04 -1.26 -0.92 135.00 134.60 3dfj s PRO 241 Ca 0.66 1.37 -0.12 0.00 0.04 0.00 0.00 61.00 62.95 3dfj s PRO 241 Cb -0.12 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.27 3dfj s PRO 241 CO 0.52 0.50 0.30 -1.17 0.04 0.00 0.00 177.00 177.20 3dfj s LEU 242 N -1.29 5.22 -0.26 -3.56 2.96 -0.06 -3.39 118.68 118.30 3dfj s LEU 242 Ca 0.41 -1.26 -0.11 0.00 -0.22 0.00 0.00 54.13 52.94 3dfj s LEU 242 Cb -0.24 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.31 3dfj s LEU 242 CO 0.29 -0.53 0.21 -0.44 -1.32 0.00 0.00 176.35 174.56 3dfj s SER 243 N 2.11 6.11 -0.08 3.68 0.01 0.21 -1.59 113.70 124.16 3dfj s SER 243 Ca 0.03 0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.42 3dfj s SER 243 Cb -0.22 -2.13 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 3dfj s SER 243 CO 0.06 -0.01 -0.14 0.00 0.41 0.00 0.00 173.24 173.55 3dfj s PRO 245 N -0.34 4.18 -0.04 0.00 0.04 -1.26 -1.08 135.00 136.50 3dfj s PRO 245 Ca 0.03 0.79 -0.01 0.00 0.04 0.00 0.00 61.00 61.85 3dfj s PRO 245 Cb -0.13 -3.63 0.03 0.00 0.04 0.00 0.00 34.50 30.81 3dfj s PRO 245 CO 0.02 -0.43 0.04 0.08 0.04 0.00 0.00 177.00 176.76 3dfj s VAL 246 N 2.55 -0.03 -1.39 -0.36 1.01 -0.59 -4.92 120.40 116.66 3dfj s VAL 246 Ca 0.32 0.34 -0.07 0.00 0.00 0.00 0.00 61.98 62.57 3dfj s VAL 246 Cb -0.16 -0.18 0.00 0.00 0.00 0.00 0.00 36.38 36.05 3dfj s VAL 246 CO 0.09 0.17 0.38 -0.62 0.00 0.00 0.00 175.10 175.12 3dfj n GLU 247 N 4.98 -2.08 -0.18 2.72 1.02 -1.26 -1.59 120.64 124.26 3dfj n GLU 247 Ca -0.10 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3dfj n GLU 247 Cb 0.50 -4.00 0.00 0.00 -0.02 0.00 0.00 31.44 27.92 3dfj n GLU 247 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dfj n GLY 248 N -2.12 2.31 3.83 0.62 0.00 -1.26 -5.00 105.19 103.56 3dfj n GLY 248 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 3dfj n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dfj s LEU 249 N 0.00 2.84 -0.05 0.99 1.43 -0.62 -5.14 118.68 118.13 3dfj s LEU 249 Ca 0.00 -1.20 0.05 0.00 -1.03 0.00 0.00 54.13 51.95 3dfj s LEU 249 Cb 0.00 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 3dfj s LEU 249 CO 0.00 -0.85 -0.21 0.26 0.23 0.00 0.00 176.35 175.78 3dfj s TRP 250 N -2.70 2.09 0.08 0.29 0.52 -1.26 -1.55 118.94 116.41 3dfj s TRP 250 Ca 0.34 -0.60 0.08 0.00 0.02 0.00 0.00 56.10 55.94 3dfj s TRP 250 Cb 0.00 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 30.91 3dfj s TRP 250 CO 0.20 -0.18 -0.22 0.71 0.02 0.00 0.00 176.95 177.48 3dfj s TYR 251 N -0.10 1.89 -1.09 -1.98 2.02 -0.24 -3.81 117.35 114.03 3dfj s TYR 251 Ca -0.03 -0.40 -0.22 0.00 -0.37 0.00 0.00 57.07 56.06 3dfj s TYR 251 Cb -0.12 -1.07 0.04 0.00 -0.40 0.00 0.00 41.96 40.41 3dfj s TYR 251 CO 0.03 0.18 1.58 -1.17 -1.57 0.00 0.00 175.55 174.60 3dfj s LEU 252 N -1.64 3.55 0.10 -1.29 2.96 -0.43 -1.14 118.68 120.79 3dfj s LEU 252 Ca 0.08 -1.67 -0.13 0.00 -0.22 0.00 0.00 54.13 52.18 3dfj s LEU 252 Cb -0.10 -2.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.91 3dfj s LEU 252 CO 0.03 -1.56 1.37 0.74 -1.32 0.00 0.00 176.35 175.61 3dfj h THR 253 N 6.48 1.29 -4.15 3.68 2.02 -1.63 -3.40 112.91 117.21 3dfj h THR 253 Ca 0.26 -1.71 -0.12 0.00 0.77 0.00 0.00 66.41 65.61 3dfj h THR 253 Cb 0.97 1.74 -0.15 0.00 -1.74 0.00 0.00 68.15 68.97 3dfj h THR 253 CO 1.42 0.55 -0.59 -0.83 0.37 0.00 0.00 175.52 176.43 3dfj s GLY 254 N -3.90 0.43 -0.12 2.16 0.00 -1.10 -1.70 107.32 103.08 3dfj s GLY 254 Ca -0.11 -1.09 0.02 0.00 0.00 0.00 0.00 44.72 43.54 3dfj s GLY 254 CO 0.87 -1.19 -0.18 -0.42 0.00 0.00 0.00 173.10 172.18 3dfj s ILE 255 N -3.92 1.73 -0.14 0.90 1.01 -0.23 -0.88 121.20 119.67 3dfj s ILE 255 Ca 0.08 -0.78 -0.32 0.00 0.00 0.00 0.00 60.65 59.63 3dfj s ILE 255 Cb 0.07 -1.56 -0.10 0.00 0.01 0.00 0.00 42.46 40.88 3dfj s ILE 255 CO -0.09 0.49 2.02 0.52 0.00 0.00 0.00 174.94 177.88 3dfj n VAL 256 N 4.19 0.50 -0.13 2.92 0.31 -0.10 -0.81 118.33 125.22 3dfj n VAL 256 Ca -0.19 -0.21 -0.26 0.00 -0.01 0.00 0.00 64.34 63.67 3dfj n VAL 256 Cb 0.51 -2.05 -0.09 0.00 -0.91 0.00 0.00 33.84 31.30 3dfj n VAL 256 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3dfj n SER 257 N 8.35 1.82 -4.06 4.52 2.88 0.71 -0.69 113.62 127.15 3dfj n SER 257 Ca 0.27 0.32 -0.32 0.00 -1.33 0.00 0.00 58.87 57.80 3dfj n SER 257 Cb 0.33 -0.76 -0.15 0.00 -0.75 0.00 0.00 64.21 62.89 3dfj n SER 257 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3dfj s TRP 258 N -2.50 3.42 -0.11 0.66 -0.11 -0.47 -4.91 118.94 114.91 3dfj s TRP 258 Ca -0.35 -2.50 0.15 0.00 1.22 0.00 0.00 56.10 54.61 3dfj s TRP 258 Cb 0.13 -2.24 0.33 0.00 -1.50 0.00 0.00 33.47 30.18 3dfj s TRP 258 CO 0.45 -0.90 1.16 0.41 -4.62 0.00 0.00 176.95 173.45 3dfj n GLY 259 N 4.39 3.52 0.50 5.86 0.00 -1.26 -1.73 105.19 116.47 3dfj n GLY 259 Ca -0.09 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.07 3dfj n GLY 259 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dfj n ASP 260 N -0.69 1.89 -0.04 1.61 8.00 -1.26 -1.92 116.55 124.13 3dfj n ASP 260 Ca 0.13 -1.43 0.02 0.00 0.71 0.00 0.00 54.79 54.22 3dfj n ASP 260 Cb 0.78 0.29 0.36 0.00 -0.02 0.00 0.00 41.12 42.53 3dfj n ASP 260 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dfj h ALA 261 N 3.99 1.58 -6.32 2.24 0.00 -1.86 -3.42 119.26 115.46 3dfj h ALA 261 Ca 0.00 -0.07 -0.47 0.00 0.00 0.00 0.00 54.91 54.37 3dfj h ALA 261 Cb 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3dfj h ALA 261 CO 0.00 0.35 -0.86 0.00 0.00 0.00 0.00 179.25 178.75 3dfj n GLY 263 N -1.78 0.69 3.75 0.00 0.00 -1.26 -4.55 105.19 102.04 3dfj n GLY 263 Ca -0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 3dfj n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dfj s ALA 264 N -2.28 2.91 0.59 4.61 0.00 -1.06 0.25 121.76 126.78 3dfj s ALA 264 Ca 0.00 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 3dfj s ALA 264 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.53 3dfj s ALA 264 CO 0.00 -1.26 1.20 -0.98 0.00 0.00 0.00 175.76 174.72 3dfj s ARG 265 N -2.80 2.97 -1.92 0.00 1.70 -1.26 -3.24 118.95 114.41 3dfj s ARG 265 Ca 0.69 1.80 0.00 0.00 -0.47 0.00 0.00 55.73 57.75 3dfj s ARG 265 Cb -0.40 -1.93 0.00 0.00 -0.57 0.00 0.00 34.95 32.05 3dfj s ARG 265 CO 0.48 -1.20 0.00 0.09 -1.08 0.00 0.00 175.30 173.59 3dfj n ASN 266 N -1.61 -5.68 -3.17 -2.89 3.02 -0.08 -4.91 115.26 99.94 3dfj n ASN 266 Ca 0.13 0.19 -0.20 0.00 -0.03 0.00 0.00 54.58 54.67 3dfj n ASN 266 Cb 0.50 -4.84 -0.04 0.00 -0.61 0.00 0.00 39.78 34.79 3dfj n ASN 266 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3dfj n ARG 267 N -2.76 1.17 -1.92 3.52 5.12 -1.20 -3.59 116.66 117.00 3dfj n ARG 267 Ca -0.23 -3.52 -0.35 0.00 -1.93 0.00 0.00 57.85 51.82 3dfj n ARG 267 Cb 0.68 -1.70 0.04 0.00 -1.16 0.00 0.00 32.46 30.32 3dfj n ARG 267 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3dfj s PRO 268 N -2.35 2.87 0.42 5.56 0.04 -1.26 -4.76 135.00 135.51 3dfj s PRO 268 Ca 0.40 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 62.91 3dfj s PRO 268 Cb 0.31 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.83 3dfj s PRO 268 CO -0.09 -1.26 1.18 0.41 0.04 0.00 0.00 177.00 177.28 3dfj n GLY 269 N 0.29 0.29 3.54 0.56 0.00 -0.90 -4.73 105.19 104.24 3dfj n GLY 269 Ca 0.13 0.18 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 3dfj n GLY 269 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dfj s VAL 270 N -1.22 4.14 0.01 1.61 1.01 -0.71 -1.83 120.40 123.42 3dfj s VAL 270 Ca 0.62 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.38 3dfj s VAL 270 Cb -0.53 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 3dfj s VAL 270 CO 0.57 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.68 3dfj s TYR 271 N 0.28 1.54 0.03 5.22 1.51 0.60 -0.21 117.35 126.32 3dfj s TYR 271 Ca -0.01 -0.32 -0.30 0.00 -1.01 0.00 0.00 57.07 55.43 3dfj s TYR 271 Cb -0.14 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 3dfj s TYR 271 CO 0.02 0.01 1.07 0.99 -1.11 0.00 0.00 175.55 176.53 3dfj s THR 272 N -0.55 4.54 -0.15 -0.71 2.01 0.01 -0.92 115.64 119.86 3dfj s THR 272 Ca 0.06 1.82 -0.29 0.00 0.31 0.00 0.00 61.69 63.59 3dfj s THR 272 Cb -0.07 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 3dfj s THR 272 CO 0.00 0.14 1.32 -0.76 -0.69 0.00 0.00 174.62 174.63 3dfj s LEU 273 N 1.02 4.19 0.45 4.42 1.43 0.14 -1.06 118.68 129.26 3dfj s LEU 273 Ca 0.55 1.75 0.14 0.00 -1.03 0.00 0.00 54.13 55.54 3dfj s LEU 273 Cb -0.24 -3.54 1.00 0.00 0.03 0.00 0.00 46.19 43.44 3dfj s LEU 273 CO 0.29 -0.79 2.01 0.00 0.23 0.00 0.00 176.35 178.08 3dfj h ALA 274 N 8.42 1.72 -0.43 4.21 0.00 -1.53 -2.30 119.26 129.35 3dfj h ALA 274 Ca -0.28 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.53 3dfj h ALA 274 Cb 1.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3dfj h ALA 274 CO 0.97 0.21 0.29 0.66 0.00 0.00 0.00 179.25 181.38 3dfj h SER 275 N 0.05 0.35 0.38 0.00 4.64 -1.79 -0.90 113.55 116.28 3dfj h SER 275 Ca 0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dfj h SER 275 Cb 0.27 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3dfj h SER 275 CO 0.02 0.24 0.00 -1.20 -0.87 0.00 0.00 176.83 175.01 3dfj n SER 276 N -4.48 0.31 -0.08 4.97 7.64 -0.86 -2.88 113.62 118.24 3dfj n SER 276 Ca 0.05 0.60 0.02 0.00 1.01 0.00 0.00 58.87 60.55 3dfj n SER 276 Cb 0.20 -0.66 0.03 0.00 -1.01 0.00 0.00 64.21 62.78 3dfj n SER 276 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3dfj n TYR 277 N -1.87 0.00 -0.24 1.43 4.01 -0.37 -4.80 117.16 115.32 3dfj n TYR 277 Ca 0.01 -0.45 0.01 0.00 -0.16 0.00 0.00 57.90 57.31 3dfj n TYR 277 Cb 0.13 -0.06 0.13 0.00 -0.31 0.00 0.00 39.34 39.23 3dfj n TYR 277 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dfj h ALA 278 N 0.00 0.97 -0.23 -0.72 0.00 -1.33 0.02 119.26 117.97 3dfj h ALA 278 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3dfj h ALA 278 Cb 0.84 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3dfj h ALA 278 CO 0.00 -0.04 0.05 1.03 0.00 0.00 0.00 179.25 180.30 3dfj h SER 279 N 0.61 0.34 -0.33 0.00 0.87 -1.87 -1.28 113.55 111.90 3dfj h SER 279 Ca 0.34 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 3dfj h SER 279 Cb 0.35 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3dfj h SER 279 CO -0.26 0.48 0.15 -0.25 -0.53 0.00 0.00 176.83 176.42 3dfj h TRP 280 N 0.18 0.48 -0.09 2.24 7.01 -1.83 -1.36 115.95 122.59 3dfj h TRP 280 Ca 0.07 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.04 3dfj h TRP 280 Cb 0.27 -0.15 -0.00 0.00 -2.10 0.00 0.00 29.16 27.18 3dfj h TRP 280 CO 0.01 0.43 0.06 0.82 -2.79 0.00 0.00 178.44 176.97 3dfj h ILE 281 N 0.39 1.04 -0.81 2.65 2.04 -0.94 -1.41 117.51 120.47 3dfj h ILE 281 Ca 0.11 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3dfj h ILE 281 Cb 0.14 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 3dfj h ILE 281 CO -0.01 0.04 0.45 -0.61 0.00 0.00 0.00 178.15 178.02 3dfj h GLN 282 N 0.10 1.13 -0.15 2.37 4.15 -1.15 -0.25 115.11 121.30 3dfj h GLN 282 Ca 0.03 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 3dfj h GLN 282 Cb 0.01 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3dfj h GLN 282 CO -0.01 0.82 0.07 1.03 -1.93 0.00 0.00 178.83 178.82 3dfj h SER 283 N 1.14 0.20 -0.20 -0.69 0.87 -0.98 -1.32 113.55 112.56 3dfj h SER 283 Ca 0.29 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3dfj h SER 283 Cb 0.01 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 3dfj h SER 283 CO -0.05 0.26 0.02 0.11 -0.53 0.00 0.00 176.83 176.64 3dfj h LYS 284 N 0.12 0.34 -0.77 2.24 1.79 -0.93 -1.78 116.57 117.58 3dfj h LYS 284 Ca 0.05 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 3dfj h LYS 284 Cb 0.11 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.69 3dfj h LYS 284 CO -0.01 0.51 0.33 0.28 -1.08 0.00 0.00 179.45 179.48 3dfj h VAL 285 N 0.13 1.25 -0.17 0.50 2.07 -1.05 -2.06 116.25 116.92 3dfj h VAL 285 Ca 0.06 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 3dfj h VAL 285 Cb 0.34 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3dfj h VAL 285 CO 0.01 0.32 -0.22 0.74 0.02 0.00 0.00 177.57 178.43 3dfj h THR 286 N 1.11 1.35 -0.43 2.57 2.02 -1.19 -2.01 112.91 116.32 3dfj h THR 286 Ca 0.26 -1.42 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 3dfj h THR 286 Cb 0.18 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3dfj h THR 286 CO -0.03 0.43 -0.01 -0.08 0.37 0.00 0.00 175.52 176.20 3dfj h GLU 287 N 0.09 0.70 -0.70 6.66 4.81 -1.27 -3.18 114.58 121.68 3dfj h GLU 287 Ca 0.02 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3dfj h GLU 287 Cb 0.78 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.08 3dfj h GLU 287 CO 0.05 0.73 0.00 1.28 -0.73 0.00 0.00 179.01 180.34 3dfj n LEU 288 N -4.23 3.94 -4.69 1.64 4.77 -0.78 -5.00 117.00 112.66 3dfj n LEU 288 Ca 0.02 -2.03 -0.44 0.00 -0.03 0.00 0.00 56.01 53.54 3dfj n LEU 288 Cb 0.29 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3dfj n LEU 288 CO 0.41 0.96 1.01 1.67 -1.33 0.00 0.00 177.39 180.11 3dfj n GLN 289 N 1.54 2.15 -2.25 3.23 7.27 -0.76 -4.98 117.38 123.58 3dfj n GLN 289 Ca 0.24 0.76 -0.28 0.00 0.07 0.00 0.00 57.00 57.79 3dfj n GLN 289 Cb 0.63 -2.41 0.02 0.00 2.41 0.00 0.00 30.24 30.89 3dfj n GLN 289 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3dfj s LEU 290 N -0.32 3.25 0.42 1.69 1.43 -1.26 -5.05 118.68 118.84 3dfj s LEU 290 Ca 0.64 0.97 -0.26 0.00 -1.03 0.00 0.00 54.13 54.45 3dfj s LEU 290 Cb -0.60 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 41.67 3dfj s LEU 290 CO 0.53 -0.98 1.33 0.68 0.23 0.00 0.00 176.35 178.14 3dfj s VAL 291 N -3.05 2.48 -2.00 -1.59 -7.23 -1.26 -5.23 120.40 102.53 3dfj s VAL 291 Ca 0.54 0.43 0.20 0.00 -1.81 0.00 0.00 61.98 61.33 3dfj s VAL 291 Cb -0.11 -3.25 0.56 0.00 0.56 0.00 0.00 36.38 34.15 3dfj s VAL 291 CO 0.48 0.06 1.57 -0.81 -0.31 0.00 0.00 175.10 176.09