#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a46 s GLU 3 N 0.00 2.29 0.15 -0.52 2.02 -1.26 -4.89 118.70 116.49 3a46 s GLU 3 Ca 0.00 -1.94 -0.21 0.00 0.02 0.00 0.00 54.97 52.84 3a46 s GLU 3 Cb 0.00 -2.10 0.05 0.00 0.10 0.00 0.00 34.13 32.18 3a46 s GLU 3 CO 0.00 -0.48 1.26 0.41 0.02 0.00 0.00 175.26 176.48 3a46 n GLY 4 N -1.64 -1.95 0.19 -1.39 0.00 0.23 -1.50 105.19 99.14 3a46 n GLY 4 Ca -0.02 0.95 -0.03 0.00 0.00 0.00 0.00 46.02 46.92 3a46 n GLY 4 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3a46 h PRO 5 N 0.00 0.27 0.12 1.61 0.11 -1.87 -0.03 132.00 132.20 3a46 h PRO 5 Ca 0.19 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 3a46 h PRO 5 Cb 0.40 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.45 3a46 h PRO 5 CO -0.79 0.18 -0.06 0.93 -0.21 0.00 0.00 178.00 178.05 3a46 h GLU 6 N 0.28 -0.16 -0.33 1.05 3.07 -1.61 -0.98 114.58 115.90 3a46 h GLU 6 Ca 0.23 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.15 3a46 h GLU 6 Cb 0.28 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 3a46 h GLU 6 CO -0.27 -0.09 0.08 0.28 -1.40 0.00 0.00 179.01 177.60 3a46 h VAL 7 N -0.17 0.86 0.20 3.13 2.07 -1.13 0.67 116.25 121.88 3a46 h VAL 7 Ca -0.02 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3a46 h VAL 7 Cb 0.13 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3a46 h VAL 7 CO 0.03 0.04 -0.20 0.00 0.02 0.00 0.00 177.57 177.45 3a46 h ALA 8 N 1.24 -0.41 -0.95 1.67 0.00 -0.85 -0.97 119.26 118.99 3a46 h ALA 8 Ca 0.16 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3a46 h ALA 8 Cb 0.16 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3a46 h ALA 8 CO -0.19 -0.76 0.61 1.25 0.00 0.00 0.00 179.25 180.16 3a46 h LEU 9 N -0.44 1.01 -0.78 0.00 5.85 -0.98 -1.76 115.31 118.21 3a46 h LEU 9 Ca -0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3a46 h LEU 9 Cb 0.41 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 3a46 h LEU 9 CO -0.05 0.68 0.50 0.74 -0.34 0.00 0.00 178.44 179.98 3a46 h THR 10 N 1.17 1.21 -0.54 1.05 2.02 -0.41 -1.76 112.91 115.65 3a46 h THR 10 Ca 0.39 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 3a46 h THR 10 Cb 0.04 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.51 3a46 h THR 10 CO -0.13 0.21 0.33 0.00 0.37 0.00 0.00 175.52 176.29 3a46 h ALA 11 N 1.27 0.68 -0.94 6.16 0.00 -0.37 0.98 119.26 127.05 3a46 h ALA 11 Ca 0.28 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3a46 h ALA 11 Cb -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.43 3a46 h ALA 11 CO -0.06 0.16 0.62 -0.44 0.00 0.00 0.00 179.25 179.53 3a46 h ASP 12 N 0.72 1.05 -0.38 0.00 3.32 -0.88 0.25 116.42 120.51 3a46 h ASP 12 Ca 0.19 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 3a46 h ASP 12 Cb -0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3a46 h ASP 12 CO -0.04 0.74 -0.32 0.40 -1.72 0.00 0.00 179.24 178.31 3a46 h ILE 13 N 1.23 1.28 -0.47 0.35 2.04 -0.84 -1.18 117.51 119.92 3a46 h ILE 13 Ca 0.36 -1.49 -0.08 0.00 1.00 0.00 0.00 64.86 64.66 3a46 h ILE 13 Cb -0.07 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3a46 h ILE 13 CO -0.10 0.49 -0.03 -0.07 0.00 0.00 0.00 178.15 178.44 3a46 h LEU 14 N 0.68 0.78 -0.58 1.44 3.38 -0.22 -2.52 115.31 118.27 3a46 h LEU 14 Ca 0.07 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 3a46 h LEU 14 Cb 0.90 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3a46 h LEU 14 CO 0.08 0.86 0.16 -0.33 0.09 0.00 0.00 178.44 179.30 3a46 h GLU 15 N 0.74 0.91 -0.54 1.13 5.08 -0.37 0.88 114.58 122.42 3a46 h GLU 15 Ca 0.14 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3a46 h GLU 15 Cb 0.50 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3a46 h GLU 15 CO 0.03 0.84 0.21 -0.22 -1.00 0.00 0.00 179.01 178.86 3a46 h LYS 16 N 0.82 0.79 0.00 2.33 3.64 -0.86 -0.70 116.57 122.59 3a46 h LYS 16 Ca 0.18 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3a46 h LYS 16 Cb 0.32 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3a46 h LYS 16 CO -0.00 0.65 -1.64 0.66 -2.27 0.00 0.00 179.45 176.86 3a46 n TYR 17 N -4.33 0.17 0.00 1.91 4.01 -0.98 -4.68 117.16 113.25 3a46 n TYR 17 Ca 0.04 0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3a46 n TYR 17 Cb 0.17 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.69 3a46 n TYR 17 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3a46 n PHE 18 N -2.20 0.00 -1.68 -0.72 3.72 0.29 -4.89 117.46 111.98 3a46 n PHE 18 Ca -0.02 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.93 3a46 n PHE 18 Cb 0.52 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.03 3a46 n PHE 18 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3a46 n LYS 19 N -1.16 2.35 0.00 -1.08 4.81 -0.28 -0.68 118.16 122.13 3a46 n LYS 19 Ca 0.00 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3a46 n LYS 19 Cb 0.00 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.40 3a46 n LYS 19 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a46 n GLY 20 N 3.61 2.39 3.88 3.14 0.00 0.11 -4.99 105.19 113.32 3a46 n GLY 20 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3a46 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a46 s LYS 21 N -0.46 3.60 -0.28 1.61 -0.14 0.15 -4.70 119.74 119.53 3a46 s LYS 21 Ca 0.00 0.65 -0.11 0.00 -1.36 0.00 0.00 55.97 55.16 3a46 s LYS 21 Cb 0.00 -2.14 -0.05 0.00 -1.68 0.00 0.00 37.83 33.96 3a46 s LYS 21 CO 0.00 -0.49 0.18 0.99 -0.76 0.00 0.00 175.35 175.28 3a46 s THR 22 N -3.07 5.28 -0.16 2.17 2.01 -1.26 -1.26 115.64 119.34 3a46 s THR 22 Ca 0.54 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 62.45 3a46 s THR 22 Cb -0.11 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 3a46 s THR 22 CO 0.51 0.26 0.79 -0.22 -0.69 0.00 0.00 174.62 175.27 3a46 s LEU 23 N 1.70 4.19 -0.21 4.42 2.96 0.56 -1.12 118.68 131.18 3a46 s LEU 23 Ca 0.07 1.13 0.11 0.00 -0.22 0.00 0.00 54.13 55.22 3a46 s LEU 23 Cb -0.16 -3.17 -0.21 0.00 0.50 0.00 0.00 46.19 43.15 3a46 s LEU 23 CO 0.10 -0.35 -0.05 -0.62 -1.32 0.00 0.00 176.35 174.12 3a46 n GLU 24 N 5.02 0.76 -3.54 1.98 1.02 0.62 -1.90 120.64 124.59 3a46 n GLU 24 Ca 0.03 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 3a46 n GLU 24 Cb 0.49 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 3a46 n GLU 24 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3a46 s TYR 25 N -2.48 -0.40 -0.05 -0.32 6.04 -0.95 -4.57 117.35 114.61 3a46 s TYR 25 Ca -0.19 0.27 0.02 0.00 0.04 0.00 0.00 57.07 57.21 3a46 s TYR 25 Cb 0.07 0.39 0.01 0.00 -1.04 0.00 0.00 41.96 41.40 3a46 s TYR 25 CO 0.70 -0.73 -0.09 0.42 -1.54 0.00 0.00 175.55 174.31 3a46 s ILE 26 N -3.25 0.91 -0.08 3.14 1.09 -1.26 -0.52 121.20 121.22 3a46 s ILE 26 Ca -0.01 -0.35 0.01 0.00 -1.10 0.00 0.00 60.65 59.19 3a46 s ILE 26 Cb -0.00 -0.85 0.02 0.00 -1.06 0.00 0.00 42.46 40.57 3a46 s ILE 26 CO -0.08 0.30 -0.08 -1.81 -0.10 0.00 0.00 174.94 173.16 3a46 s ASP 27 N 0.68 1.81 -0.85 3.58 -0.00 0.15 -4.97 116.67 117.08 3a46 s ASP 27 Ca -0.12 -0.26 -0.15 0.00 -0.00 0.00 0.00 52.55 52.02 3a46 s ASP 27 Cb -0.15 -0.75 0.21 0.00 -0.00 0.00 0.00 42.92 42.23 3a46 s ASP 27 CO 0.02 -0.05 0.83 -0.36 -0.00 0.00 0.00 175.17 175.61 3a46 s PHE 28 N 1.20 3.67 0.17 4.23 0.40 -1.26 0.37 117.98 126.76 3a46 s PHE 28 Ca -0.05 -1.90 0.35 0.00 -0.60 0.00 0.00 56.93 54.73 3a46 s PHE 28 Cb -0.14 -3.89 1.49 0.00 0.51 0.00 0.00 43.02 40.99 3a46 s PHE 28 CO -0.02 -1.07 2.03 -0.84 0.70 0.00 0.00 175.22 176.02 3a46 h ILE 29 N 4.94 0.02 -2.73 0.64 3.07 -1.57 -3.35 117.51 118.52 3a46 h ILE 29 Ca 0.12 -0.47 0.03 0.00 1.55 0.00 0.00 64.86 66.09 3a46 h ILE 29 Cb 1.04 1.45 -0.00 0.00 -0.27 0.00 0.00 36.82 39.04 3a46 h ILE 29 CO 0.81 0.01 0.33 -1.54 -1.05 0.00 0.00 178.15 176.70 3a46 n SER 30 N -3.10 -1.87 -0.01 2.16 3.41 -1.22 -4.94 113.62 108.04 3a46 n SER 30 Ca 0.00 -2.21 0.00 0.00 -0.26 0.00 0.00 58.87 56.40 3a46 n SER 30 Cb 0.28 3.09 0.00 0.00 -0.26 0.00 0.00 64.21 67.32 3a46 n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a46 n GLY 31 N -0.52 -2.07 0.38 5.00 0.00 -1.26 -3.91 105.19 102.81 3a46 n GLY 31 Ca -0.06 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.69 3a46 n GLY 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a46 h ARG 32 N 0.00 0.50 -0.00 1.61 0.11 -1.95 -2.11 114.38 112.54 3a46 h ARG 32 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 3a46 h ARG 32 Cb 0.00 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 30.97 3a46 h ARG 32 CO 0.00 0.33 -0.11 0.66 0.10 0.00 0.00 179.97 180.95 3a46 n TYR 33 N -4.52 0.00 0.93 4.08 4.01 -1.26 -2.40 117.16 117.99 3a46 n TYR 33 Ca 0.17 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 58.04 3a46 n TYR 33 Cb 0.56 -0.20 0.37 0.00 -0.31 0.00 0.00 39.34 39.77 3a46 n TYR 33 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3a46 n SER 34 N -1.00 0.38 -0.05 7.72 3.41 -0.79 -3.82 113.62 119.46 3a46 n SER 34 Ca 0.14 0.09 -0.04 0.00 -0.26 0.00 0.00 58.87 58.81 3a46 n SER 34 Cb 0.28 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 3a46 n SER 34 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a46 n LYS 35 N -1.62 1.53 -3.70 4.33 5.02 -1.13 -4.98 118.16 117.61 3a46 n LYS 35 Ca 0.06 -0.03 -0.12 0.00 -2.02 0.00 0.00 58.31 56.20 3a46 n LYS 35 Cb 0.35 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 33.90 3a46 n LYS 35 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3a46 s SER 36 N -4.41 -0.24 0.36 4.39 1.04 -1.01 -5.15 113.70 108.68 3a46 s SER 36 Ca -0.06 0.68 -0.28 0.00 0.48 0.00 0.00 55.95 56.76 3a46 s SER 36 Cb 0.05 0.63 -0.11 0.00 0.10 0.00 0.00 66.02 66.69 3a46 s SER 36 CO 0.55 -0.19 1.44 -1.61 0.98 0.00 0.00 173.24 174.41 3a46 s GLU 37 N 1.58 4.18 0.82 4.02 2.02 -1.26 -4.16 118.70 125.91 3a46 s GLU 37 Ca -0.07 2.47 -0.11 0.00 0.02 0.00 0.00 54.97 57.28 3a46 s GLU 37 Cb -0.10 -3.00 0.09 0.00 0.10 0.00 0.00 34.13 31.22 3a46 s GLU 37 CO -0.10 -0.44 1.13 -2.14 0.02 0.00 0.00 175.26 173.72 3a46 s PRO 38 N -1.95 1.74 0.23 0.39 0.02 -1.26 -4.89 135.00 129.28 3a46 s PRO 38 Ca 0.52 1.39 -0.31 0.00 0.02 0.00 0.00 61.00 62.62 3a46 s PRO 38 Cb -0.45 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.13 3a46 s PRO 38 CO 0.60 -2.06 1.69 -2.00 -0.33 0.00 0.00 177.00 174.89 3a46 s GLU 39 N -4.67 4.13 0.00 5.54 2.12 -1.26 -2.21 118.70 122.34 3a46 s GLU 39 Ca 0.65 2.59 0.00 0.00 0.36 0.00 0.00 54.97 58.57 3a46 s GLU 39 Cb -0.21 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3a46 s GLU 39 CO 0.55 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 3a46 n GLY 40 N 3.55 0.87 0.21 -1.50 0.00 -1.26 -0.81 105.19 106.25 3a46 n GLY 40 Ca 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3a46 n GLY 40 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3a46 h TYR 41 N 0.00 0.38 -0.85 1.61 3.20 -1.71 -2.13 116.97 117.48 3a46 h TYR 41 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3a46 h TYR 41 Cb 0.01 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 3a46 h TYR 41 CO 0.01 0.14 0.48 -0.44 -1.64 0.00 0.00 178.16 176.71 3a46 h ASP 42 N 0.41 1.04 -0.31 -2.11 3.45 -1.92 -1.79 116.42 115.19 3a46 h ASP 42 Ca 0.25 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.59 3a46 h ASP 42 Cb 0.25 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 3a46 h ASP 42 CO -0.23 0.83 0.05 0.44 -1.57 0.00 0.00 179.24 178.76 3a46 h ASP 43 N 1.17 0.49 -0.47 6.45 5.19 -1.93 -2.45 116.42 124.86 3a46 h ASP 43 Ca 0.30 -0.26 0.02 0.00 -0.62 0.00 0.00 57.03 56.47 3a46 h ASP 43 Cb 0.00 -0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 3a46 h ASP 43 CO -0.05 0.62 0.28 0.15 -3.12 0.00 0.00 179.24 177.12 3a46 h PHE 44 N 0.34 0.52 -0.15 4.55 3.04 -1.09 -2.63 116.94 121.51 3a46 h PHE 44 Ca 0.09 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.98 3a46 h PHE 44 Cb 0.34 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 3a46 h PHE 44 CO 0.02 0.30 -0.24 0.82 -2.02 0.00 0.00 178.31 177.19 3a46 h ILE 45 N 0.56 1.24 0.00 1.41 2.04 -1.30 -1.74 117.51 119.73 3a46 h ILE 45 Ca 0.19 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3a46 h ILE 45 Cb 0.02 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3a46 h ILE 45 CO -0.09 0.34 0.00 0.00 0.00 0.00 0.00 178.15 178.41 3a46 n ALA 46 N -2.48 1.79 0.30 1.87 0.00 -0.93 -2.75 120.51 118.31 3a46 n ALA 46 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.46 3a46 n ALA 46 Cb 0.36 -1.31 0.08 0.00 0.00 0.00 0.00 19.45 18.58 3a46 n ALA 46 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3a46 n ASN 47 N -1.68 2.23 -4.86 0.00 3.02 -0.67 -4.99 115.26 108.31 3a46 n ASN 47 Ca 0.04 -1.62 -0.31 0.00 -0.03 0.00 0.00 54.58 52.65 3a46 n ASN 47 Cb 0.22 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.32 3a46 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a46 s LEU 48 N -0.97 3.36 0.55 3.41 1.43 -1.11 -4.45 118.68 120.90 3a46 s LEU 48 Ca 0.16 1.49 -0.18 0.00 -1.03 0.00 0.00 54.13 54.58 3a46 s LEU 48 Cb 0.10 -4.49 -0.05 0.00 0.03 0.00 0.00 46.19 41.78 3a46 s LEU 48 CO 0.15 -0.81 1.06 -2.16 0.23 0.00 0.00 176.35 174.82 3a46 s PRO 49 N -4.77 3.48 0.05 1.29 0.04 -1.26 -5.06 135.00 128.77 3a46 s PRO 49 Ca 0.57 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.93 3a46 s PRO 49 Cb -0.11 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3a46 s PRO 49 CO 0.46 -0.69 -0.06 -0.51 0.04 0.00 0.00 177.00 176.24 3a46 s LEU 50 N -4.07 2.34 -0.11 -3.56 1.43 -0.80 -4.90 118.68 109.00 3a46 s LEU 50 Ca 0.66 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.96 3a46 s LEU 50 Cb -0.17 -0.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.98 3a46 s LEU 50 CO 0.30 -0.34 0.23 -0.75 0.23 0.00 0.00 176.35 176.02 3a46 s LYS 51 N -2.37 3.82 -0.39 1.70 2.20 -0.08 -0.32 119.74 124.30 3a46 s LYS 51 Ca -0.04 0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.30 3a46 s LYS 51 Cb -0.04 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 33.02 3a46 s LYS 51 CO -0.03 0.58 1.11 0.08 -0.36 0.00 0.00 175.35 176.73 3a46 s VAL 52 N -0.54 4.37 -0.13 4.02 1.01 -0.39 -1.33 120.40 127.40 3a46 s VAL 52 Ca 0.16 1.50 0.18 0.00 0.00 0.00 0.00 61.98 63.82 3a46 s VAL 52 Cb -0.13 -4.51 -0.14 0.00 0.00 0.00 0.00 36.38 31.60 3a46 s VAL 52 CO 0.05 -0.73 0.78 -1.54 0.00 0.00 0.00 175.10 173.67 3a46 n SER 53 N 7.33 0.77 -3.52 3.32 3.41 0.45 0.04 113.62 125.42 3a46 n SER 53 Ca 0.12 0.34 -0.08 0.00 -0.26 0.00 0.00 58.87 58.99 3a46 n SER 53 Cb 0.48 0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 64.73 3a46 n SER 53 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3a46 s ASN 54 N -5.67 -0.34 -0.15 4.04 0.01 -0.98 -4.81 114.94 107.03 3a46 s ASN 54 Ca -0.03 -0.01 -0.05 0.00 -0.71 0.00 0.00 52.86 52.06 3a46 s ASN 54 Cb 0.09 0.37 0.06 0.00 0.41 0.00 0.00 41.25 42.18 3a46 s ASN 54 CO 0.82 -0.60 0.10 -0.69 -1.51 0.00 0.00 177.10 175.21 3a46 s VAL 55 N -3.07 -0.11 0.34 1.60 1.01 -1.26 0.38 120.40 119.29 3a46 s VAL 55 Ca 0.06 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3a46 s VAL 55 Cb -0.01 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3a46 s VAL 55 CO -0.08 -0.21 0.12 -0.62 0.00 0.00 0.00 175.10 174.31 3a46 s ASP 56 N 2.16 2.11 0.07 3.32 2.15 -0.31 -4.75 116.67 121.42 3a46 s ASP 56 Ca 0.03 -1.54 -0.10 0.00 0.43 0.00 0.00 52.55 51.36 3a46 s ASP 56 Cb -0.15 0.31 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 3a46 s ASP 56 CO -0.08 -0.83 0.22 0.42 -0.17 0.00 0.00 175.17 174.72 3a46 s THR 57 N -3.42 0.12 -0.17 1.71 -4.23 -1.26 -1.12 115.64 107.27 3a46 s THR 57 Ca 0.32 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.80 3a46 s THR 57 Cb 0.05 -1.13 0.07 0.00 1.34 0.00 0.00 72.50 72.83 3a46 s THR 57 CO 0.16 -0.54 0.15 -0.75 -0.54 0.00 0.00 174.62 173.10 3a46 s LYS 58 N -3.24 0.11 7.76 3.99 2.20 -0.44 -5.02 119.74 125.10 3a46 s LYS 58 Ca 0.00 0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 3a46 s LYS 58 Cb 0.02 -1.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.98 3a46 s LYS 58 CO -0.08 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 3a46 n GLY 59 N 5.30 3.28 1.12 5.54 0.00 -1.26 -1.71 105.19 117.47 3a46 n GLY 59 Ca -0.06 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3a46 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a46 n LYS 60 N 13.37 2.48 -3.40 1.61 5.02 -1.26 -4.25 118.16 131.73 3a46 n LYS 60 Ca 0.00 -2.22 -0.38 0.00 -2.02 0.00 0.00 58.31 53.69 3a46 n LYS 60 Cb 0.00 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.43 3a46 n LYS 60 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3a46 s PHE 61 N -1.62 3.36 0.04 2.13 5.36 -0.69 -4.42 117.98 122.13 3a46 s PHE 61 Ca 0.36 0.58 0.07 0.00 -0.96 0.00 0.00 56.93 56.98 3a46 s PHE 61 Cb 0.22 -2.52 -0.03 0.00 -0.34 0.00 0.00 43.02 40.35 3a46 s PHE 61 CO 0.32 -0.03 -0.19 -1.17 -1.46 0.00 0.00 175.22 172.68 3a46 s LEU 62 N 1.39 2.53 -0.02 6.12 0.20 -0.32 -1.33 118.68 127.26 3a46 s LEU 62 Ca 0.18 -0.44 -0.11 0.00 0.69 0.00 0.00 54.13 54.45 3a46 s LEU 62 Cb -0.15 -1.48 0.02 0.00 -0.43 0.00 0.00 46.19 44.15 3a46 s LEU 62 CO 0.08 0.26 0.24 -1.66 -0.29 0.00 0.00 176.35 174.98 3a46 s TRP 63 N -0.89 -0.11 -0.06 5.38 -2.14 -0.28 -0.33 118.94 120.52 3a46 s TRP 63 Ca 0.14 0.17 -0.02 0.00 2.66 0.00 0.00 56.10 59.05 3a46 s TRP 63 Cb -0.10 0.04 -0.04 0.00 -3.10 0.00 0.00 33.47 30.27 3a46 s TRP 63 CO 0.04 -0.32 0.06 -0.06 -2.66 0.00 0.00 176.95 174.02 3a46 s PHE 64 N -1.15 3.30 -0.14 1.66 0.40 -0.45 -1.16 117.98 120.45 3a46 s PHE 64 Ca -0.12 0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.49 3a46 s PHE 64 Cb -0.06 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 3a46 s PHE 64 CO 0.03 0.56 -0.16 -2.00 0.70 0.00 0.00 175.22 174.35 3a46 s GLU 65 N -1.22 3.25 0.12 0.44 2.12 0.16 -1.66 118.70 121.92 3a46 s GLU 65 Ca 0.17 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.79 3a46 s GLU 65 Cb -0.12 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 3a46 s GLU 65 CO 0.07 0.12 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.29 3a46 s LEU 66 N 0.57 2.47 0.22 2.70 1.02 0.85 -0.42 118.68 126.09 3a46 s LEU 66 Ca -0.10 -0.92 -0.14 0.00 0.02 0.00 0.00 54.13 52.99 3a46 s LEU 66 Cb -0.16 -0.32 0.01 0.00 0.02 0.00 0.00 46.19 45.73 3a46 s LEU 66 CO 0.04 -0.30 0.48 0.72 0.02 0.00 0.00 176.35 177.31 3a46 s PHE 67 N -2.91 0.18 -0.27 0.29 -0.71 -0.44 0.35 117.98 114.47 3a46 s PHE 67 Ca 0.11 -0.54 -0.09 0.00 -1.04 0.00 0.00 56.93 55.37 3a46 s PHE 67 Cb 0.00 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 42.04 3a46 s PHE 67 CO 0.00 -0.95 0.12 0.34 -1.34 0.00 0.00 175.22 173.39 3a46 s ASP 68 N -2.96 5.48 0.58 1.98 3.68 -1.25 -0.90 116.67 123.27 3a46 s ASP 68 Ca 0.17 -0.18 0.31 0.00 2.13 0.00 0.00 52.55 54.97 3a46 s ASP 68 Cb -0.01 -2.00 1.41 0.00 -1.45 0.00 0.00 42.92 40.87 3a46 s ASP 68 CO 0.04 -0.06 1.78 -0.65 0.13 0.00 0.00 175.17 176.41 3a46 h PRO 69 N 8.30 0.00 0.00 4.34 0.11 -1.94 0.76 132.00 143.56 3a46 h PRO 69 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3a46 h PRO 69 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3a46 h PRO 69 CO 0.57 0.00 -0.54 0.09 -0.21 0.00 0.00 178.00 177.92 3a46 n ASN 70 N -3.77 0.65 -2.74 -2.05 3.02 -1.26 -4.09 115.26 105.02 3a46 n ASN 70 Ca 0.15 0.12 -0.11 0.00 -0.03 0.00 0.00 54.58 54.71 3a46 n ASN 70 Cb 0.97 0.08 0.02 0.00 -0.61 0.00 0.00 39.78 40.23 3a46 n ASN 70 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3a46 n ASP 71 N -2.01 1.44 -0.20 6.41 -0.08 0.23 -4.99 116.55 117.35 3a46 n ASP 71 Ca 0.04 -2.79 0.19 0.00 -1.51 0.00 0.00 54.79 50.72 3a46 n ASP 71 Cb 0.42 -0.54 0.35 0.00 2.34 0.00 0.00 41.12 43.68 3a46 n ASP 71 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3a46 n LYS 72 N -0.02 -0.04 0.04 -0.67 4.81 0.62 0.74 118.16 123.65 3a46 n LYS 72 Ca 0.13 0.87 0.13 0.00 -0.87 0.00 0.00 58.31 58.56 3a46 n LYS 72 Cb 0.79 -1.54 0.50 0.00 0.02 0.00 0.00 35.03 34.79 3a46 n LYS 72 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3a46 n SER 73 N -4.47 0.30 -4.50 3.14 7.64 -1.26 -4.48 113.62 110.00 3a46 n SER 73 Ca 0.23 0.54 -0.43 0.00 1.01 0.00 0.00 58.87 60.22 3a46 n SER 73 Cb 0.77 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 3a46 n SER 73 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3a46 s ASN 74 N -3.57 6.60 -0.01 6.43 3.04 0.23 -4.99 114.94 122.67 3a46 s ASN 74 Ca 0.11 -1.86 -0.18 0.00 0.04 0.00 0.00 52.86 50.97 3a46 s ASN 74 Cb 0.15 -2.47 -0.05 0.00 -1.54 0.00 0.00 41.25 37.33 3a46 s ASN 74 CO 0.50 -1.23 0.51 -0.54 -3.04 0.00 0.00 177.10 173.30 3a46 s LYS 75 N 3.60 4.20 0.12 0.43 1.02 -1.26 -3.95 119.74 123.89 3a46 s LYS 75 Ca 0.39 0.58 0.10 0.00 0.02 0.00 0.00 55.97 57.06 3a46 s LYS 75 Cb -0.02 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 3a46 s LYS 75 CO -0.09 0.46 -0.21 -1.58 -0.92 0.00 0.00 175.35 173.01 3a46 s TRP 76 N -0.42 2.45 0.02 3.18 0.52 0.15 -4.45 118.94 120.39 3a46 s TRP 76 Ca 0.27 -0.31 0.03 0.00 0.02 0.00 0.00 56.10 56.12 3a46 s TRP 76 Cb -0.17 -1.31 -0.02 0.00 -1.15 0.00 0.00 33.47 30.83 3a46 s TRP 76 CO 0.15 0.37 -0.10 0.71 0.02 0.00 0.00 176.95 178.10 3a46 s TYR 77 N -1.13 0.86 -0.26 -1.98 1.51 0.21 -0.11 117.35 116.45 3a46 s TYR 77 Ca 0.17 -0.30 -0.03 0.00 -1.01 0.00 0.00 57.07 55.90 3a46 s TYR 77 Cb -0.10 -0.52 0.02 0.00 -0.11 0.00 0.00 41.96 41.24 3a46 s TYR 77 CO 0.09 -0.01 -0.01 0.42 -1.11 0.00 0.00 175.55 174.92 3a46 s ILE 78 N -0.70 3.23 0.03 2.71 1.01 -0.66 -1.27 121.20 125.55 3a46 s ILE 78 Ca -0.01 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.55 3a46 s ILE 78 Cb -0.06 -2.65 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 3a46 s ILE 78 CO 0.00 0.16 0.53 0.26 0.00 0.00 0.00 174.94 175.89 3a46 s TRP 79 N 1.38 3.75 -0.11 3.97 0.52 0.16 -1.34 118.94 127.27 3a46 s TRP 79 Ca 0.01 1.16 -0.08 0.00 0.02 0.00 0.00 56.10 57.21 3a46 s TRP 79 Cb -0.17 -2.47 0.04 0.00 -1.15 0.00 0.00 33.47 29.72 3a46 s TRP 79 CO -0.02 0.53 0.28 1.21 0.02 0.00 0.00 176.95 178.97 3a46 s ASN 80 N -0.81 -0.31 0.02 2.95 3.04 0.56 -1.82 114.94 118.57 3a46 s ASN 80 Ca 0.28 0.59 0.05 0.00 0.04 0.00 0.00 52.86 53.82 3a46 s ASN 80 Cb -0.18 0.54 -0.02 0.00 -1.54 0.00 0.00 41.25 40.05 3a46 s ASN 80 CO 0.17 -0.14 -0.16 0.42 -3.04 0.00 0.00 177.10 174.35 3a46 s THR 81 N 0.73 1.28 -0.46 -5.21 -4.23 -0.90 -1.17 115.64 105.67 3a46 s THR 81 Ca -0.05 -0.93 0.24 0.00 -1.18 0.00 0.00 61.69 59.76 3a46 s THR 81 Cb -0.06 -1.12 0.15 0.00 1.34 0.00 0.00 72.50 72.82 3a46 s THR 81 CO -0.05 0.17 1.38 -0.26 -0.54 0.00 0.00 174.62 175.32 3a46 h PHE 82 N 5.19 0.00 0.00 3.99 -1.00 -1.89 -0.80 116.94 122.43 3a46 h PHE 82 Ca -0.38 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.40 3a46 h PHE 82 Cb 1.17 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.73 3a46 h PHE 82 CO 0.48 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.59 3a46 n GLY 83 N 1.21 1.47 0.09 -1.45 0.00 -1.26 -0.34 105.19 104.91 3a46 n GLY 83 Ca 0.03 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.54 3a46 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a46 n LEU 84 N 0.00 0.66 0.00 0.99 4.77 -1.26 -2.90 117.00 119.26 3a46 n LEU 84 Ca 0.00 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3a46 n LEU 84 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3a46 n LEU 84 CO 0.00 -0.13 0.32 0.35 -1.33 0.00 0.00 177.39 176.61 3a46 n THR 85 N -2.51 0.30 -1.98 -5.08 -2.24 -1.22 -4.25 114.28 97.30 3a46 n THR 85 Ca -0.00 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 3a46 n THR 85 Cb 0.54 0.86 0.02 0.00 -2.10 0.00 0.00 70.33 69.64 3a46 n THR 85 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a46 s GLY 86 N -0.30 2.86 -0.22 3.38 0.00 0.54 -4.24 107.32 109.35 3a46 s GLY 86 Ca 0.00 1.20 -0.20 0.00 0.00 0.00 0.00 44.72 45.72 3a46 s GLY 86 CO 0.00 1.71 0.58 1.06 0.00 0.00 0.00 173.10 176.45 3a46 s MET 87 N -2.71 0.67 0.16 2.90 -1.94 0.28 -4.64 119.30 114.02 3a46 s MET 87 Ca 0.66 0.82 0.03 0.00 -1.71 0.00 0.00 55.69 55.49 3a46 s MET 87 Cb -0.36 0.32 -0.04 0.00 2.01 0.00 0.00 34.83 36.76 3a46 s MET 87 CO 0.44 -0.08 0.26 -1.58 -0.01 0.00 0.00 175.02 174.05 3a46 s TRP 88 N 0.36 3.42 0.16 -0.03 0.52 -1.26 0.51 118.94 122.61 3a46 s TRP 88 Ca -0.00 0.08 -0.24 0.00 0.02 0.00 0.00 56.10 55.96 3a46 s TRP 88 Cb -0.04 -1.63 0.06 0.00 -1.15 0.00 0.00 33.47 30.72 3a46 s TRP 88 CO 0.00 0.51 0.69 -1.54 0.02 0.00 0.00 176.95 176.64 3a46 s SER 89 N -3.28 -0.45 0.00 2.95 1.04 0.12 -4.36 113.70 109.72 3a46 s SER 89 Ca 0.34 -0.15 0.26 0.00 0.48 0.00 0.00 55.95 56.87 3a46 s SER 89 Cb -0.11 0.58 0.60 0.00 0.10 0.00 0.00 66.02 67.20 3a46 s SER 89 CO 0.28 -0.99 1.47 0.18 0.98 0.00 0.00 173.24 175.16 3a46 n LEU 90 N -0.38 1.33 -4.23 2.42 4.77 -1.26 -0.82 117.00 118.83 3a46 n LEU 90 Ca -0.12 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.23 3a46 n LEU 90 Cb 0.63 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.51 3a46 n LEU 90 CO 0.12 0.25 -0.50 0.72 -1.33 0.00 0.00 177.39 176.65 3a46 s PHE 91 N -2.44 1.57 -0.96 -1.77 -0.71 -1.26 -4.81 117.98 107.60 3a46 s PHE 91 Ca 0.24 -0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 55.47 3a46 s PHE 91 Cb 0.19 -0.88 -0.07 0.00 -1.21 0.00 0.00 43.02 41.04 3a46 s PHE 91 CO 0.51 0.13 2.00 -2.00 -1.34 0.00 0.00 175.22 174.52 3a46 s GLU 92 N -1.68 2.37 0.92 1.99 2.12 -1.26 -4.77 118.70 118.39 3a46 s GLU 92 Ca 0.04 -0.41 -0.14 0.00 0.36 0.00 0.00 54.97 54.82 3a46 s GLU 92 Cb -0.10 -5.07 0.18 0.00 0.26 0.00 0.00 34.13 29.40 3a46 s GLU 92 CO 0.03 -3.74 1.27 0.00 -0.54 0.00 0.00 175.26 172.28 3a46 s ALA 93 N 11.15 2.46 0.42 6.30 0.00 -1.26 -4.98 121.76 135.85 3a46 s ALA 93 Ca 0.73 -1.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.22 3a46 s ALA 93 Cb -0.06 -2.70 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3a46 s ALA 93 CO 0.04 -2.24 1.26 0.21 0.00 0.00 0.00 175.76 175.03 3a46 s LYS 94 N -5.77 3.88 -0.31 0.00 2.20 -1.26 -2.74 119.74 115.75 3a46 s LYS 94 Ca 0.72 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 3a46 s LYS 94 Cb -0.05 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 3a46 s LYS 94 CO 0.52 -0.53 0.00 0.66 -0.36 0.00 0.00 175.35 175.64 3a46 n TYR 95 N -0.06 0.00 -1.75 4.03 0.53 -1.26 -4.74 117.16 113.91 3a46 n TYR 95 Ca 0.05 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.51 3a46 n TYR 95 Cb 0.45 -0.89 -0.03 0.00 -1.03 0.00 0.00 39.34 37.84 3a46 n TYR 95 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 3a46 s THR 96 N -2.03 3.16 -0.23 -0.72 2.01 -1.11 -1.81 115.64 114.91 3a46 s THR 96 Ca 0.00 0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.26 3a46 s THR 96 Cb 0.00 -3.13 -0.20 0.00 0.01 0.00 0.00 72.50 69.17 3a46 s THR 96 CO 0.00 -0.03 -0.08 0.54 -0.69 0.00 0.00 174.62 174.36 3a46 n ARG 97 N 7.64 0.67 -4.77 4.92 5.12 0.15 -4.37 116.66 126.02 3a46 n ARG 97 Ca 0.21 0.11 -0.24 0.00 -1.93 0.00 0.00 57.85 56.00 3a46 n ARG 97 Cb 0.42 -1.54 -0.15 0.00 -1.16 0.00 0.00 32.46 30.03 3a46 n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a46 s ALA 98 N -2.51 1.36 -0.22 7.54 0.00 -1.04 -1.53 121.76 125.35 3a46 s ALA 98 Ca -0.25 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.01 3a46 s ALA 98 Cb 0.08 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.90 3a46 s ALA 98 CO 0.69 0.33 -0.12 0.08 0.00 0.00 0.00 175.76 176.74 3a46 s VAL 99 N -0.40 1.94 -0.30 0.00 1.01 0.16 -1.66 120.40 121.15 3a46 s VAL 99 Ca 0.06 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.63 3a46 s VAL 99 Cb -0.06 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 3a46 s VAL 99 CO -0.01 0.13 0.25 -0.76 0.00 0.00 0.00 175.10 174.72 3a46 s LEU 100 N 1.25 4.18 -0.25 3.92 1.02 0.00 -0.67 118.68 128.14 3a46 s LEU 100 Ca -0.04 -0.08 -0.10 0.00 0.02 0.00 0.00 54.13 53.94 3a46 s LEU 100 Cb -0.17 -2.20 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 3a46 s LEU 100 CO -0.08 -0.15 0.15 -0.44 0.02 0.00 0.00 176.35 175.85 3a46 s SER 101 N 1.73 5.90 0.45 2.29 0.01 0.32 -1.60 113.70 122.80 3a46 s SER 101 Ca 0.09 0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.45 3a46 s SER 101 Cb -0.16 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 63.99 3a46 s SER 101 CO 0.11 0.03 0.38 -0.36 0.41 0.00 0.00 173.24 173.81 3a46 s PHE 102 N 1.26 2.39 0.55 2.43 0.40 0.83 -0.28 117.98 125.56 3a46 s PHE 102 Ca 0.07 -0.60 -0.21 0.00 -0.60 0.00 0.00 56.93 55.59 3a46 s PHE 102 Cb -0.14 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 3a46 s PHE 102 CO 0.06 -0.22 1.27 0.34 0.70 0.00 0.00 175.22 177.37 3a46 s ASP 103 N -4.16 5.34 -0.87 1.36 3.68 -0.27 -3.47 116.67 118.27 3a46 s ASP 103 Ca 0.45 2.56 -0.05 0.00 2.13 0.00 0.00 52.55 57.64 3a46 s ASP 103 Cb -0.02 -2.62 0.01 0.00 -1.45 0.00 0.00 42.92 38.84 3a46 s ASP 103 CO 0.26 -1.50 0.75 0.59 0.13 0.00 0.00 175.17 175.40 3a46 n ASN 104 N -1.18 -4.32 -0.22 -0.34 3.02 -1.26 -3.38 115.26 107.58 3a46 n ASN 104 Ca 0.11 -0.36 -0.03 0.00 -0.03 0.00 0.00 54.58 54.27 3a46 n ASN 104 Cb 0.47 -3.47 -0.01 0.00 -0.61 0.00 0.00 39.78 36.16 3a46 n ASN 104 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a46 n GLU 105 N -3.37 -1.52 -2.39 3.52 -0.58 -1.23 -4.97 120.64 110.10 3a46 n GLU 105 Ca -0.03 0.52 -0.41 0.00 -0.42 0.00 0.00 57.16 56.81 3a46 n GLU 105 Cb 0.55 -4.72 -0.03 0.00 -0.57 0.00 0.00 31.44 26.67 3a46 n GLU 105 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a46 s LEU 106 N -0.65 4.44 0.03 -4.62 2.01 -1.22 -4.91 118.68 113.76 3a46 s LEU 106 Ca 0.00 2.18 0.04 0.00 0.01 0.00 0.00 54.13 56.36 3a46 s LEU 106 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 46.19 42.58 3a46 s LEU 106 CO 0.00 -0.38 -0.11 -0.04 1.01 0.00 0.00 176.35 176.82 3a46 s MET 107 N 0.02 0.79 -0.02 1.70 -1.94 -1.26 -0.12 119.30 118.47 3a46 s MET 107 Ca 0.54 -0.64 0.04 0.00 -1.71 0.00 0.00 55.69 53.92 3a46 s MET 107 Cb -0.32 -0.75 -0.00 0.00 2.01 0.00 0.00 34.83 35.77 3a46 s MET 107 CO 0.35 0.19 -0.13 0.00 -0.01 0.00 0.00 175.02 175.41 3a46 s ALA 108 N -0.78 1.17 0.01 3.03 0.00 -0.63 -4.73 121.76 119.83 3a46 s ALA 108 Ca -0.00 -0.55 0.06 0.00 0.00 0.00 0.00 51.96 51.47 3a46 s ALA 108 Cb -0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3a46 s ALA 108 CO 0.01 0.24 -0.17 0.71 0.00 0.00 0.00 175.76 176.54 3a46 s TYR 109 N -0.08 1.54 -0.16 0.00 1.51 0.00 -0.82 117.35 119.35 3a46 s TYR 109 Ca 0.01 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 3a46 s TYR 109 Cb -0.08 -0.96 -0.00 0.00 -0.11 0.00 0.00 41.96 40.81 3a46 s TYR 109 CO 0.00 0.02 -0.16 0.12 -1.11 0.00 0.00 175.55 174.42 3a46 s PHE 110 N -0.58 2.78 0.10 2.71 5.36 -0.66 -0.70 117.98 126.97 3a46 s PHE 110 Ca 0.06 -1.08 0.05 0.00 -0.96 0.00 0.00 56.93 55.00 3a46 s PHE 110 Cb -0.07 -1.89 -0.04 0.00 -0.34 0.00 0.00 43.02 40.68 3a46 s PHE 110 CO 0.00 -0.49 0.01 -1.12 -1.46 0.00 0.00 175.22 172.16 3a46 s SER 111 N 0.84 5.06 -0.39 6.13 0.01 0.18 0.32 113.70 125.86 3a46 s SER 111 Ca -0.05 -0.18 -0.00 0.00 1.31 0.00 0.00 55.95 57.03 3a46 s SER 111 Cb -0.15 -1.21 0.19 0.00 0.21 0.00 0.00 66.02 65.06 3a46 s SER 111 CO -0.01 0.16 0.85 -0.62 0.41 0.00 0.00 173.24 174.04 3a46 s ASP 112 N -2.40 -0.94 0.14 2.44 2.15 -0.75 -0.56 116.67 116.75 3a46 s ASP 112 Ca 0.26 -0.64 -0.29 0.00 0.43 0.00 0.00 52.55 52.31 3a46 s ASP 112 Cb -0.11 1.21 -0.04 0.00 -0.30 0.00 0.00 42.92 43.68 3a46 s ASP 112 CO 0.19 -0.09 1.58 -0.03 -0.17 0.00 0.00 175.17 176.65 3a46 h MET 113 N 5.81 -0.41 0.00 4.34 1.85 -1.80 -2.41 114.93 122.31 3a46 h MET 113 Ca 0.01 0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 3a46 h MET 113 Cb 1.19 0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.31 3a46 h MET 113 CO 0.00 -0.28 0.00 0.54 -0.40 0.00 0.00 176.91 176.77 3a46 n ARG 114 N -5.43 0.00 -2.46 0.39 1.74 -1.26 -4.94 116.66 104.70 3a46 n ARG 114 Ca -0.03 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.91 3a46 n ARG 114 Cb 0.36 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 3a46 n ARG 114 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3a46 n ASN 115 N -1.50 -4.58 -0.07 0.55 3.02 -0.91 -4.91 115.26 106.87 3a46 n ASN 115 Ca 0.07 -0.08 0.12 0.00 -0.03 0.00 0.00 54.58 54.66 3a46 n ASN 115 Cb 0.34 -3.62 0.25 0.00 -0.61 0.00 0.00 39.78 36.13 3a46 n ASN 115 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3a46 n PHE 116 N -4.06 0.00 -1.18 3.10 3.72 -1.26 -4.86 117.46 112.92 3a46 n PHE 116 Ca -0.14 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.96 3a46 n PHE 116 Cb 0.62 -0.20 0.12 0.00 -0.94 0.00 0.00 39.48 39.08 3a46 n PHE 116 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3a46 s GLY 117 N -2.87 1.64 0.05 1.37 0.00 -1.25 -4.31 107.32 101.95 3a46 s GLY 117 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3a46 s GLY 117 CO 0.67 0.55 -0.04 -0.51 0.00 0.00 0.00 173.10 173.76 3a46 s THR 118 N -2.89 0.31 0.01 0.90 -4.23 -0.31 -4.93 115.64 104.51 3a46 s THR 118 Ca 0.63 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 3a46 s THR 118 Cb -0.18 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 3a46 s THR 118 CO 0.57 -0.70 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.52 3a46 s PHE 119 N -2.58 0.64 -0.12 3.99 0.40 -1.26 -2.12 117.98 116.94 3a46 s PHE 119 Ca -0.03 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 3a46 s PHE 119 Cb -0.02 -0.40 0.03 0.00 0.51 0.00 0.00 43.02 43.14 3a46 s PHE 119 CO -0.04 -0.02 0.33 0.21 0.70 0.00 0.00 175.22 176.40 3a46 s LYS 120 N -0.60 0.42 -0.09 0.44 2.20 -0.76 -4.23 119.74 117.13 3a46 s LYS 120 Ca -0.01 0.41 0.04 0.00 -0.36 0.00 0.00 55.97 56.04 3a46 s LYS 120 Cb -0.05 0.20 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 3a46 s LYS 120 CO 0.00 -0.06 -0.22 -0.06 -0.36 0.00 0.00 175.35 174.66 3a46 s PHE 121 N 0.04 2.58 0.03 4.03 0.08 0.01 0.40 117.98 125.15 3a46 s PHE 121 Ca -0.01 -0.83 -0.07 0.00 0.12 0.00 0.00 56.93 56.14 3a46 s PHE 121 Cb -0.03 -1.70 -0.01 0.00 -0.57 0.00 0.00 43.02 40.72 3a46 s PHE 121 CO 0.01 -0.29 0.13 0.45 -0.10 0.00 0.00 175.22 175.42 3a46 s SER 122 N 0.15 0.12 -0.16 1.36 0.15 -0.39 -4.11 113.70 110.82 3a46 s SER 122 Ca -0.12 -0.45 0.14 0.00 0.70 0.00 0.00 55.95 56.23 3a46 s SER 122 Cb -0.16 0.24 0.35 0.00 -1.71 0.00 0.00 66.02 64.75 3a46 s SER 122 CO 0.06 -0.51 1.18 -0.46 1.20 0.00 0.00 173.24 174.71 3a46 n ASN 123 N 0.81 1.79 -4.16 5.45 6.94 -1.26 0.66 115.26 125.49 3a46 n ASN 123 Ca -0.19 -3.38 -0.35 0.00 -0.02 0.00 0.00 54.58 50.64 3a46 n ASN 123 Cb 0.58 -0.46 -0.14 0.00 -2.36 0.00 0.00 39.78 37.41 3a46 n ASN 123 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3a46 s SER 124 N -2.90 4.88 0.39 0.53 0.15 -1.26 -4.78 113.70 110.71 3a46 s SER 124 Ca 0.34 -1.34 0.15 0.00 0.70 0.00 0.00 55.95 55.79 3a46 s SER 124 Cb 0.32 -1.71 0.82 0.00 -1.71 0.00 0.00 66.02 63.74 3a46 s SER 124 CO -0.04 -0.27 1.86 -0.08 1.20 0.00 0.00 173.24 175.91 3a46 h GLU 125 N 7.98 0.00 0.12 5.44 4.81 -1.93 -2.85 114.58 128.15 3a46 h GLU 125 Ca -0.20 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.04 3a46 h GLU 125 Cb 1.06 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3a46 h GLU 125 CO 0.54 0.33 -0.17 0.87 -0.73 0.00 0.00 179.01 179.85 3a46 h LYS 126 N 0.00 -0.32 -0.37 1.92 1.79 -2.00 -1.21 116.57 116.38 3a46 h LYS 126 Ca -0.00 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 3a46 h LYS 126 Cb 0.61 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.32 3a46 h LYS 126 CO 0.04 -0.22 0.06 1.49 -1.08 0.00 0.00 179.45 179.74 3a46 h GLU 127 N -0.34 0.56 -0.14 3.15 4.81 -1.94 -2.25 114.58 118.43 3a46 h GLU 127 Ca 0.02 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3a46 h GLU 127 Cb 0.34 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3a46 h GLU 127 CO -0.08 0.54 0.00 1.25 -0.73 0.00 0.00 179.01 180.00 3a46 h LEU 128 N 0.54 0.24 -0.36 1.64 5.85 -1.26 -1.43 115.31 120.53 3a46 h LEU 128 Ca 0.12 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3a46 h LEU 128 Cb 0.26 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3a46 h LEU 128 CO 0.00 0.48 0.02 0.50 -0.34 0.00 0.00 178.44 179.10 3a46 h LYS 129 N -0.01 0.12 -0.45 1.25 3.64 -0.91 0.25 116.57 120.46 3a46 h LYS 129 Ca 0.04 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3a46 h LYS 129 Cb 0.35 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 3a46 h LYS 129 CO 0.01 0.08 0.14 0.00 -2.27 0.00 0.00 179.45 177.40 3a46 h ARG 130 N 0.12 0.65 -0.32 1.90 3.08 -1.36 -0.94 114.38 117.51 3a46 h ARG 130 Ca 0.17 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3a46 h ARG 130 Cb 0.23 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3a46 h ARG 130 CO -0.27 0.58 0.12 -0.22 -1.07 0.00 0.00 179.97 179.10 3a46 h LYS 131 N 0.64 0.49 -0.13 0.04 1.63 0.11 -2.58 116.57 116.77 3a46 h LYS 131 Ca 0.15 -0.10 -0.05 0.00 -0.85 0.00 0.00 60.65 59.80 3a46 h LYS 131 Cb 0.20 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3a46 h LYS 131 CO -0.01 0.51 -0.17 -0.07 -3.45 0.00 0.00 179.45 176.27 3a46 h LEU 132 N 0.37 0.20 -0.31 5.20 3.38 -0.11 -1.98 115.31 122.06 3a46 h LEU 132 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3a46 h LEU 132 Cb 0.21 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3a46 h LEU 132 CO -0.01 0.39 0.00 0.59 0.09 0.00 0.00 178.44 179.50 3a46 n ASN 133 N -4.25 0.35 -0.04 -0.43 3.02 -0.40 -2.00 115.26 111.51 3a46 n ASN 133 Ca -0.01 0.58 0.14 0.00 -0.03 0.00 0.00 54.58 55.26 3a46 n ASN 133 Cb 0.29 -0.66 0.54 0.00 -0.61 0.00 0.00 39.78 39.35 3a46 n ASN 133 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a46 n GLU 134 N -1.88 0.29 -4.66 3.52 1.02 -0.74 -4.78 120.64 113.40 3a46 n GLU 134 Ca 0.03 -0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 56.75 3a46 n GLU 134 Cb 0.22 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.03 3a46 n GLU 134 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a46 s LEU 135 N -2.77 3.04 1.17 -4.62 1.43 -0.85 -4.55 118.68 111.53 3a46 s LEU 135 Ca 0.20 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 3a46 s LEU 135 Cb 0.19 -1.67 0.27 0.00 0.03 0.00 0.00 46.19 45.01 3a46 s LEU 135 CO 0.54 0.30 1.08 -0.83 0.23 0.00 0.00 176.35 177.68 3a46 s GLY 136 N -0.44 1.56 0.35 -3.19 0.00 0.75 -4.93 107.32 101.41 3a46 s GLY 136 Ca 0.06 -0.74 -0.27 0.00 0.00 0.00 0.00 44.72 43.77 3a46 s GLY 136 CO 0.02 0.08 1.20 -1.05 0.00 0.00 0.00 173.10 173.35 3a46 n PRO 137 N -4.70 1.86 -2.14 2.90 -0.02 -1.26 -3.65 135.00 127.99 3a46 n PRO 137 Ca 0.10 0.65 -0.43 0.00 -2.02 0.00 0.00 63.50 61.81 3a46 n PRO 137 Cb 0.59 -2.20 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3a46 n PRO 137 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3a46 s ASP 138 N -0.44 6.42 0.58 2.55 -1.08 -1.26 -0.18 116.67 123.26 3a46 s ASP 138 Ca 0.58 1.61 0.27 0.00 -0.52 0.00 0.00 52.55 54.49 3a46 s ASP 138 Cb -0.59 -2.53 1.68 0.00 -1.46 0.00 0.00 42.92 40.02 3a46 s ASP 138 CO 0.61 -1.22 2.19 -0.26 0.52 0.00 0.00 175.17 177.00 3a46 h PHE 139 N 10.53 0.00 0.10 -5.34 0.05 -1.59 0.13 116.94 120.82 3a46 h PHE 139 Ca -0.33 0.00 -0.32 0.00 3.82 0.00 0.00 57.97 61.14 3a46 h PHE 139 Cb 1.15 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 39.08 3a46 h PHE 139 CO 0.90 0.00 -1.72 1.25 -0.18 0.00 0.00 178.31 178.56 3a46 h LEU 140 N 0.00 0.33 0.00 1.54 5.85 -1.90 -3.42 115.31 117.71 3a46 h LEU 140 Ca 0.03 -0.84 -0.20 0.00 0.84 0.00 0.00 57.88 57.72 3a46 h LEU 140 Cb 0.18 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3a46 h LEU 140 CO -0.00 1.74 -1.40 0.11 -0.34 0.00 0.00 178.44 178.55 3a46 h LYS 141 N -0.23 0.00 -5.14 1.25 1.57 -1.93 -3.40 116.57 108.68 3a46 h LYS 141 Ca -0.38 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.73 3a46 h LYS 141 Cb 1.83 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.97 3a46 h LYS 141 CO 0.02 0.39 -0.08 1.21 -0.57 0.00 0.00 179.45 180.42 3a46 s ASN 142 N -5.95 6.27 0.00 0.86 3.84 0.02 -4.88 114.94 115.10 3a46 s ASN 142 Ca -0.03 -0.29 0.28 0.00 0.21 0.00 0.00 52.86 53.03 3a46 s ASN 142 Cb 0.08 -2.26 1.25 0.00 -0.55 0.00 0.00 41.25 39.78 3a46 s ASN 142 CO 0.81 -0.56 1.85 -0.67 -2.79 0.00 0.00 177.10 175.74 3a46 n ASP 143 N 5.78 1.01 -3.02 -4.21 2.03 -1.26 -4.30 116.55 112.59 3a46 n ASP 143 Ca -0.05 -1.38 -0.20 0.00 0.52 0.00 0.00 54.79 53.67 3a46 n ASP 143 Cb 0.48 -0.01 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 3a46 n ASP 143 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3a46 n ASP 144 N -0.19 2.24 -4.82 1.67 5.75 -1.26 -5.08 116.55 114.86 3a46 n ASP 144 Ca 0.20 -3.23 -0.38 0.00 -0.01 0.00 0.00 54.79 51.37 3a46 n ASP 144 Cb 0.27 -0.58 -0.06 0.00 -1.03 0.00 0.00 41.12 39.71 3a46 n ASP 144 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3a46 s ILE 145 N -3.31 5.05 -0.62 2.12 1.01 -1.26 -5.03 121.20 119.16 3a46 s ILE 145 Ca 0.42 0.84 -0.17 0.00 0.00 0.00 0.00 60.65 61.75 3a46 s ILE 145 Cb 0.34 -3.72 0.14 0.00 0.01 0.00 0.00 42.46 39.23 3a46 s ILE 145 CO -0.09 0.55 0.63 -0.62 0.00 0.00 0.00 174.94 175.41 3a46 s ASP 146 N -0.89 6.30 0.00 3.58 2.15 -1.26 -4.85 116.67 121.71 3a46 s ASP 146 Ca 0.24 -1.85 0.27 0.00 0.43 0.00 0.00 52.55 51.64 3a46 s ASP 146 Cb -0.16 -2.24 1.55 0.00 -0.30 0.00 0.00 42.92 41.76 3a46 s ASP 146 CO 0.13 -0.89 2.00 2.30 -0.17 0.00 0.00 175.17 178.54 3a46 n ILE 147 N 5.13 0.01 0.41 4.11 -5.35 -1.26 -3.33 119.36 119.08 3a46 n ILE 147 Ca -0.06 -0.03 0.05 0.00 -0.27 0.00 0.00 62.75 62.43 3a46 n ILE 147 Cb 0.42 -0.32 0.24 0.00 -1.74 0.00 0.00 39.64 38.24 3a46 n ILE 147 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3a46 n SER 148 N -0.79 0.00 0.28 7.28 3.41 -1.26 -0.81 113.62 121.72 3a46 n SER 148 Ca 0.20 0.38 0.18 0.00 -0.26 0.00 0.00 58.87 59.38 3a46 n SER 148 Cb 0.12 -0.43 0.84 0.00 -0.26 0.00 0.00 64.21 64.48 3a46 n SER 148 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3a46 h LYS 149 N 0.00 0.00 -0.88 4.33 3.64 -1.97 -2.48 116.57 119.20 3a46 h LYS 149 Ca 0.00 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 3a46 h LYS 149 Cb 0.16 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.89 3a46 h LYS 149 CO 0.00 0.00 0.50 0.82 -2.27 0.00 0.00 179.45 178.50 3a46 h ILE 150 N 0.00 0.80 -0.19 2.00 1.08 -1.27 -1.16 117.51 118.77 3a46 h ILE 150 Ca 0.00 -0.25 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 3a46 h ILE 150 Cb 0.29 -0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.03 3a46 h ILE 150 CO 0.00 0.13 0.24 0.11 -0.69 0.00 0.00 178.15 177.94 3a46 h LYS 151 N 0.74 0.00 0.00 2.37 1.57 -1.48 -0.77 116.57 119.00 3a46 h LYS 151 Ca 0.47 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.21 3a46 h LYS 151 Cb 0.59 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3a46 h LYS 151 CO -0.32 0.00 -0.15 0.87 -0.57 0.00 0.00 179.45 179.27 3a46 h LYS 152 N 0.00 0.00 -5.55 3.15 1.79 -1.40 -3.32 116.57 111.24 3a46 h LYS 152 Ca 0.09 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.97 3a46 h LYS 152 Cb 0.57 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.12 3a46 h LYS 152 CO -0.00 0.15 -0.27 0.71 -1.08 0.00 0.00 179.45 178.97 3a46 s TYR 153 N -3.38 3.46 -1.02 -1.35 2.02 -0.29 -4.90 117.35 111.89 3a46 s TYR 153 Ca 0.03 0.67 -0.02 0.00 -0.37 0.00 0.00 57.07 57.38 3a46 s TYR 153 Cb 0.08 -2.41 0.31 0.00 -0.40 0.00 0.00 41.96 39.54 3a46 s TYR 153 CO 0.65 0.20 1.60 1.17 -1.57 0.00 0.00 175.55 177.59 3a46 n LYS 154 N 3.69 4.83 -3.83 -0.62 4.81 -1.26 0.12 118.16 125.90 3a46 n LYS 154 Ca -0.10 -4.63 -0.10 0.00 -0.87 0.00 0.00 58.31 52.61 3a46 n LYS 154 Cb 0.52 -2.47 -0.08 0.00 0.02 0.00 0.00 35.03 33.02 3a46 n LYS 154 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3a46 s GLN 155 N -3.54 0.76 0.08 1.64 -0.21 -1.26 -4.93 119.66 112.20 3a46 s GLN 155 Ca 0.36 -0.70 -0.36 0.00 0.02 0.00 0.00 55.36 54.68 3a46 s GLN 155 Cb 0.13 0.32 -0.15 0.00 1.00 0.00 0.00 33.01 34.30 3a46 s GLN 155 CO -0.02 -0.23 1.48 -2.30 -2.12 0.00 0.00 175.29 172.11 3a46 n PRO 156 N 0.44 1.57 -0.17 2.91 -0.02 -1.26 -1.42 135.00 137.05 3a46 n PRO 156 Ca -0.18 0.57 0.24 0.00 -2.02 0.00 0.00 63.50 62.12 3a46 n PRO 156 Cb 0.60 -2.27 0.66 0.00 -0.02 0.00 0.00 33.50 32.47 3a46 n PRO 156 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3a46 h ILE 157 N 3.68 0.62 -0.61 4.25 6.09 -0.37 0.61 117.51 131.78 3a46 h ILE 157 Ca -0.47 -0.04 -0.08 0.00 -1.37 0.00 0.00 64.86 62.90 3a46 h ILE 157 Cb 1.30 0.48 -0.02 0.00 0.47 0.00 0.00 36.82 39.05 3a46 h ILE 157 CO 0.84 0.02 0.07 1.62 -3.07 0.00 0.00 178.15 177.64 3a46 h VAL 158 N 0.12 1.26 -0.38 2.19 3.04 -1.79 -1.67 116.25 119.03 3a46 h VAL 158 Ca 0.41 -1.03 -0.12 0.00 -1.01 0.00 0.00 66.70 64.95 3a46 h VAL 158 Cb 1.44 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 3a46 h VAL 158 CO -0.06 0.38 -0.24 0.00 -1.01 0.00 0.00 177.57 176.64 3a46 h ALA 159 N 1.12 0.54 -0.65 3.17 0.00 -1.19 -1.66 119.26 120.59 3a46 h ALA 159 Ca 0.19 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3a46 h ALA 159 Cb 0.45 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3a46 h ALA 159 CO 0.02 0.53 0.40 -0.07 0.00 0.00 0.00 179.25 180.12 3a46 h LEU 160 N 0.63 0.77 -0.02 0.00 3.38 -1.16 -1.64 115.31 117.28 3a46 h LEU 160 Ca 0.08 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 3a46 h LEU 160 Cb 0.81 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3a46 h LEU 160 CO 0.07 0.59 -0.78 -0.07 0.09 0.00 0.00 178.44 178.34 3a46 h LEU 161 N 0.90 0.00 -0.63 1.67 3.38 -1.20 -3.22 115.31 116.20 3a46 h LEU 161 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3a46 h LEU 161 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3a46 h LEU 161 CO -0.05 0.78 -0.27 0.24 0.09 0.00 0.00 178.44 179.24 3a46 h MET 162 N 0.00 0.00 -6.82 1.13 2.86 -0.81 -3.42 114.93 107.86 3a46 h MET 162 Ca -0.01 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.11 3a46 h MET 162 Cb 1.59 0.00 0.05 0.00 0.06 0.00 0.00 31.60 33.30 3a46 h MET 162 CO 0.10 0.27 0.61 0.34 1.06 0.00 0.00 176.91 179.29 3a46 s ASP 163 N -6.25 6.91 0.00 1.22 -1.08 -0.66 -4.92 116.67 111.88 3a46 s ASP 163 Ca 0.03 2.54 0.26 0.00 -0.52 0.00 0.00 52.55 54.85 3a46 s ASP 163 Cb 0.09 -2.64 0.60 0.00 -1.46 0.00 0.00 42.92 39.51 3a46 s ASP 163 CO 0.67 -0.45 1.47 0.00 0.52 0.00 0.00 175.17 177.38 3a46 n GLN 164 N 1.26 0.96 -0.02 4.34 1.13 -1.26 -4.54 117.38 119.25 3a46 n GLN 164 Ca 0.01 -0.63 -0.03 0.00 -1.94 0.00 0.00 57.00 54.41 3a46 n GLN 164 Cb 0.43 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 3a46 n GLN 164 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3a46 n LYS 165 N -0.47 0.10 -0.08 -1.09 3.00 -1.26 -0.18 118.16 118.17 3a46 n LYS 165 Ca 0.12 0.03 -0.08 0.00 -0.00 0.00 0.00 58.31 58.38 3a46 n LYS 165 Cb 0.38 -0.95 -0.02 0.00 0.00 0.00 0.00 35.03 34.44 3a46 n LYS 165 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3a46 h LYS 166 N -0.05 -0.25 0.00 1.64 1.57 -1.88 -3.34 116.57 114.27 3a46 h LYS 166 Ca -0.10 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3a46 h LYS 166 Cb 1.13 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 3a46 h LYS 166 CO -0.03 -0.17 -0.57 -0.89 -0.57 0.00 0.00 179.45 177.22 3a46 n ILE 167 N -5.40 1.15 -3.93 1.86 2.08 -1.26 -5.00 119.36 108.85 3a46 n ILE 167 Ca 0.00 0.23 -0.09 0.00 0.56 0.00 0.00 62.75 63.45 3a46 n ILE 167 Cb 0.32 -1.79 -0.03 0.00 -0.75 0.00 0.00 39.64 37.39 3a46 n ILE 167 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 3a46 s GLY 168 N -4.48 0.40 0.26 7.39 0.00 -1.26 -4.17 107.32 105.46 3a46 s GLY 168 Ca -0.10 -0.74 0.11 0.00 0.00 0.00 0.00 44.72 43.99 3a46 s GLY 168 CO 0.14 -0.44 -0.14 -1.35 0.00 0.00 0.00 173.10 171.31 3a46 s SER 169 N -3.02 3.88 0.00 1.64 1.04 0.75 -4.19 113.70 113.80 3a46 s SER 169 Ca 0.18 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.73 3a46 s SER 169 Cb -0.03 -0.47 0.00 0.00 0.10 0.00 0.00 66.02 65.62 3a46 s SER 169 CO 0.10 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.97 3a46 n GLY 170 N -0.57 2.52 3.71 7.32 0.00 -1.26 -1.57 105.19 115.34 3a46 n GLY 170 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3a46 n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a46 s LEU 171 N 0.00 4.31 0.00 0.99 1.43 -1.26 0.77 118.68 124.92 3a46 s LEU 171 Ca 0.00 1.26 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3a46 s LEU 171 Cb 0.00 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.05 3a46 s LEU 171 CO 0.00 -0.17 0.03 0.61 0.23 0.00 0.00 176.35 177.05 3a46 n GLY 172 N 3.11 3.71 0.38 -3.19 0.00 -1.26 -4.66 105.19 103.28 3a46 n GLY 172 Ca 0.00 -2.23 0.16 0.00 0.00 0.00 0.00 46.02 43.95 3a46 n GLY 172 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3a46 h ASN 173 N 0.23 0.57 0.53 1.61 -1.24 -1.96 -1.97 115.58 113.36 3a46 h ASN 173 Ca -0.09 0.06 -0.29 0.00 0.71 0.00 0.00 56.30 56.69 3a46 h ASN 173 Cb 0.28 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.27 3a46 h ASN 173 CO 0.14 0.23 -1.45 0.10 -1.29 0.00 0.00 177.43 175.17 3a46 h TYR 174 N 0.58 0.38 -0.31 0.67 -0.00 -1.96 -3.26 116.97 113.07 3a46 h TYR 174 Ca 0.50 -0.28 -0.05 0.00 -0.00 0.00 0.00 58.73 58.90 3a46 h TYR 174 Cb 1.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 37.71 3a46 h TYR 174 CO -0.00 1.30 0.00 -0.07 -0.00 0.00 0.00 178.16 179.40 3a46 h LEU 175 N 0.06 0.54 -1.06 0.10 3.38 -1.86 -2.60 115.31 113.87 3a46 h LEU 175 Ca -0.21 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 3a46 h LEU 175 Cb 1.98 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 3a46 h LEU 175 CO 0.16 0.71 0.38 0.58 0.09 0.00 0.00 178.44 180.36 3a46 h VAL 176 N 0.35 1.23 -0.15 1.22 2.07 -1.52 0.82 116.25 120.27 3a46 h VAL 176 Ca 0.09 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 3a46 h VAL 176 Cb 0.43 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3a46 h VAL 176 CO 0.02 0.26 0.03 0.00 0.02 0.00 0.00 177.57 177.90 3a46 h ALA 177 N 1.38 0.20 -0.76 1.67 0.00 -1.58 -0.79 119.26 119.38 3a46 h ALA 177 Ca 0.26 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3a46 h ALA 177 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3a46 h ALA 177 CO -0.04 -0.15 0.33 0.93 0.00 0.00 0.00 179.25 180.32 3a46 h GLU 178 N 0.03 1.11 -0.13 0.00 4.39 -1.18 -2.13 114.58 116.67 3a46 h GLU 178 Ca 0.05 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3a46 h GLU 178 Cb 0.28 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3a46 h GLU 178 CO 0.00 0.88 0.04 0.82 -1.16 0.00 0.00 179.01 179.60 3a46 h ILE 179 N 1.08 1.18 -0.03 3.13 2.04 -0.71 -1.92 117.51 122.27 3a46 h ILE 179 Ca 0.26 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 3a46 h ILE 179 Cb 0.16 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3a46 h ILE 179 CO -0.03 0.16 -0.22 -0.07 0.00 0.00 0.00 178.15 177.99 3a46 h LEU 180 N 0.04 0.05 -0.08 1.44 3.38 -1.06 -1.45 115.31 117.62 3a46 h LEU 180 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3a46 h LEU 180 Cb 0.22 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3a46 h LEU 180 CO -0.00 0.27 -0.08 0.22 0.09 0.00 0.00 178.44 178.94 3a46 h TYR 181 N 0.05 0.24 -0.72 1.13 3.20 -1.21 0.22 116.97 119.88 3a46 h TYR 181 Ca 0.01 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.78 3a46 h TYR 181 Cb 0.42 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3a46 h TYR 181 CO 0.00 0.63 0.36 0.00 -1.64 0.00 0.00 178.16 177.51 3a46 h ARG 182 N -0.22 1.02 -0.00 1.82 2.47 -1.14 -1.51 114.38 116.82 3a46 h ARG 182 Ca 0.01 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 3a46 h ARG 182 Cb 0.59 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3a46 h ARG 182 CO 0.02 0.77 -0.04 0.00 0.56 0.00 0.00 179.97 181.28 3a46 n ALA 183 N -2.43 2.66 -3.65 0.04 0.00 -0.56 -4.93 120.51 111.62 3a46 n ALA 183 Ca 0.07 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 53.03 3a46 n ALA 183 Cb 0.13 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.24 3a46 n ALA 183 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a46 n LYS 184 N -0.96 -7.58 -4.66 0.00 5.02 -0.57 -4.93 118.16 104.49 3a46 n LYS 184 Ca 0.17 0.79 -0.33 0.00 -2.02 0.00 0.00 58.31 56.92 3a46 n LYS 184 Cb 0.23 -5.82 -0.12 0.00 -0.02 0.00 0.00 35.03 29.29 3a46 n LYS 184 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a46 s ILE 185 N -3.32 3.49 0.03 -0.18 1.01 -0.02 -4.13 121.20 118.08 3a46 s ILE 185 Ca 0.60 -0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.41 3a46 s ILE 185 Cb -0.27 -2.45 -0.07 0.00 0.01 0.00 0.00 42.46 39.68 3a46 s ILE 185 CO 0.75 0.56 1.48 -0.62 0.00 0.00 0.00 174.94 177.11 3a46 s ASP 186 N -0.27 6.76 0.48 3.58 -1.08 -1.26 -4.62 116.67 120.27 3a46 s ASP 186 Ca 0.03 2.25 0.23 0.00 -0.52 0.00 0.00 52.55 54.55 3a46 s ASP 186 Cb -0.13 -2.56 1.26 0.00 -1.46 0.00 0.00 42.92 40.03 3a46 s ASP 186 CO 0.03 -0.77 1.90 -0.65 0.52 0.00 0.00 175.17 176.19 3a46 h PRO 187 N 7.92 0.20 0.00 4.34 0.11 -1.93 -0.31 132.00 142.33 3a46 h PRO 187 Ca -0.40 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3a46 h PRO 187 Cb 1.19 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3a46 h PRO 187 CO 0.91 0.13 -0.03 0.45 -0.21 0.00 0.00 178.00 179.25 3a46 h HIS 188 N 0.21 0.00 -2.17 0.65 3.86 -1.95 -2.94 115.15 112.81 3a46 h HIS 188 Ca 0.41 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 59.02 3a46 h HIS 188 Cb 1.28 0.00 0.04 0.00 1.06 0.00 0.00 27.41 29.79 3a46 h HIS 188 CO -0.00 0.03 0.93 1.17 0.86 0.00 0.00 177.93 180.92 3a46 n LYS 189 N -3.12 2.17 -2.13 2.45 4.81 -0.13 -4.43 118.16 117.79 3a46 n LYS 189 Ca 0.02 0.79 -0.41 0.00 -0.87 0.00 0.00 58.31 57.84 3a46 n LYS 189 Cb 0.40 -2.59 -0.02 0.00 0.02 0.00 0.00 35.03 32.84 3a46 n LYS 189 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3a46 s LEU 190 N 2.34 4.42 0.48 3.14 1.02 -1.26 0.04 118.68 128.85 3a46 s LEU 190 Ca 0.85 2.62 0.13 0.00 0.02 0.00 0.00 54.13 57.75 3a46 s LEU 190 Cb -0.68 -3.64 1.10 0.00 0.02 0.00 0.00 46.19 42.99 3a46 s LEU 190 CO 0.44 -0.55 2.11 1.23 0.02 0.00 0.00 176.35 179.60 3a46 h GLY 191 N 4.02 0.24 2.00 -3.19 0.00 -1.12 -0.40 103.07 104.62 3a46 h GLY 191 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3a46 h GLY 191 CO 0.70 0.09 0.00 -1.14 0.00 0.00 0.00 176.54 176.18 3a46 n SER 192 N -4.51 0.23 -0.59 0.19 3.41 0.12 -2.38 113.62 110.09 3a46 n SER 192 Ca -0.00 0.55 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 3a46 n SER 192 Cb 0.09 -0.60 0.05 0.00 -0.26 0.00 0.00 64.21 63.48 3a46 n SER 192 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3a46 n ASN 193 N -1.75 2.18 -4.76 4.04 3.02 -0.17 -4.96 115.26 112.86 3a46 n ASN 193 Ca 0.03 -1.59 -0.40 0.00 -0.03 0.00 0.00 54.58 52.59 3a46 n ASN 193 Cb 0.21 0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.47 3a46 n ASN 193 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a46 s LEU 194 N -1.60 4.50 0.50 3.41 1.43 -1.00 -4.99 118.68 120.93 3a46 s LEU 194 Ca 0.18 2.24 -0.07 0.00 -1.03 0.00 0.00 54.13 55.45 3a46 s LEU 194 Cb 0.14 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 3a46 s LEU 194 CO 0.27 -0.20 0.84 0.42 0.23 0.00 0.00 176.35 177.91 3a46 s THR 195 N -1.23 4.85 0.56 5.49 -4.23 -1.26 -4.90 115.64 114.92 3a46 s THR 195 Ca 0.46 0.40 0.24 0.00 -1.18 0.00 0.00 61.69 61.62 3a46 s THR 195 Cb -0.31 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.00 3a46 s THR 195 CO 0.39 -0.88 2.21 0.44 -0.54 0.00 0.00 174.62 176.24 3a46 h ASP 196 N 0.22 0.00 -0.21 3.99 3.32 -1.99 0.24 116.42 121.99 3a46 h ASP 196 Ca -0.46 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.50 3a46 h ASP 196 Cb 1.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 3a46 h ASP 196 CO 0.62 0.00 -0.21 -0.61 -1.72 0.00 0.00 179.24 177.32 3a46 h GLN 197 N 0.00 0.51 -0.37 3.56 -0.00 -2.00 -2.50 115.11 114.31 3a46 h GLN 197 Ca 0.00 -0.27 -0.10 0.00 -0.00 0.00 0.00 58.65 58.28 3a46 h GLN 197 Cb 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 27.48 27.50 3a46 h GLN 197 CO -0.00 0.85 -0.18 0.93 0.00 0.00 0.00 178.83 180.44 3a46 h GLU 198 N 0.19 0.69 0.22 1.69 5.08 -1.51 -2.27 114.58 118.67 3a46 h GLU 198 Ca 0.03 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3a46 h GLU 198 Cb 0.76 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 3a46 h GLU 198 CO 0.05 0.82 -0.14 0.82 -1.00 0.00 0.00 179.01 179.57 3a46 h ILE 199 N 0.61 0.71 0.00 3.13 1.08 -0.92 0.17 117.51 122.29 3a46 h ILE 199 Ca 0.10 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.51 3a46 h ILE 199 Cb 0.64 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 3a46 h ILE 199 CO 0.05 0.00 -0.28 1.05 -0.69 0.00 0.00 178.15 178.27 3a46 h GLU 200 N -0.35 0.00 -0.17 2.37 4.11 -1.41 -0.43 114.58 118.70 3a46 h GLU 200 Ca -0.02 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.24 3a46 h GLU 200 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3a46 h GLU 200 CO 0.02 0.28 -0.58 -0.97 0.07 0.00 0.00 179.01 177.83 3a46 h ASN 201 N 0.00 0.62 -0.26 3.06 -1.24 -0.98 -2.44 115.58 114.34 3a46 h ASN 201 Ca -0.00 -0.34 -0.06 0.00 0.71 0.00 0.00 56.30 56.60 3a46 h ASN 201 Cb 0.50 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 3a46 h ASN 201 CO 0.04 1.07 -0.09 0.25 -1.29 0.00 0.00 177.43 177.40 3a46 h LEU 202 N 0.42 0.52 -0.73 0.34 5.85 -0.00 -2.66 115.31 119.05 3a46 h LEU 202 Ca 0.00 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.40 3a46 h LEU 202 Cb 1.13 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 3a46 h LEU 202 CO 0.11 0.79 0.41 -0.25 -0.34 0.00 0.00 178.44 179.16 3a46 h TRP 203 N 0.25 0.75 -0.08 1.25 -0.00 -1.04 -0.43 115.95 116.65 3a46 h TRP 203 Ca 0.06 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.98 3a46 h TRP 203 Cb 0.58 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 29.50 3a46 h TRP 203 CO 0.06 0.34 0.05 -0.92 -0.00 0.00 0.00 178.44 177.96 3a46 h TYR 204 N 0.73 0.09 -0.02 2.65 3.20 -1.32 -2.14 116.97 120.16 3a46 h TYR 204 Ca 0.33 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.10 3a46 h TYR 204 Cb 0.24 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3a46 h TYR 204 CO -0.07 0.05 -0.46 -1.49 -1.64 0.00 0.00 178.16 174.55 3a46 h TRP 205 N 0.10 0.06 -0.08 -3.82 4.06 -1.09 -0.88 115.95 114.30 3a46 h TRP 205 Ca 0.03 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3a46 h TRP 205 Cb -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3a46 h TRP 205 CO -0.08 0.50 0.05 0.82 -3.56 0.00 0.00 178.44 176.17 3a46 h ILE 206 N 0.04 1.04 -0.59 1.49 2.04 -0.85 0.91 117.51 121.58 3a46 h ILE 206 Ca -0.00 -0.09 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 3a46 h ILE 206 Cb 0.83 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3a46 h ILE 206 CO 0.06 0.03 0.20 0.11 0.00 0.00 0.00 178.15 178.56 3a46 h LYS 207 N 0.09 0.91 0.67 2.37 1.57 -1.13 -1.80 116.57 119.24 3a46 h LYS 207 Ca 0.03 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3a46 h LYS 207 Cb 0.01 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3a46 h LYS 207 CO -0.01 0.80 -0.34 -0.92 -0.57 0.00 0.00 179.45 178.41 3a46 h TYR 208 N 0.83 -0.89 -0.63 -1.35 3.20 -0.89 -1.70 116.97 115.54 3a46 h TYR 208 Ca 0.19 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3a46 h TYR 208 Cb 0.26 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 3a46 h TYR 208 CO 0.02 -0.54 0.28 0.93 -1.64 0.00 0.00 178.16 177.21 3a46 h GLU 209 N -0.93 0.91 -0.24 1.82 4.39 -0.80 0.50 114.58 120.23 3a46 h GLU 209 Ca -0.09 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 3a46 h GLU 209 Cb 0.72 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3a46 h GLU 209 CO 0.13 0.75 0.07 1.79 -1.16 0.00 0.00 179.01 180.59 3a46 h THR 210 N 0.86 1.20 -0.76 1.13 1.35 -1.36 -0.06 112.91 115.28 3a46 h THR 210 Ca 0.21 -0.64 -0.05 0.00 -0.55 0.00 0.00 66.41 65.38 3a46 h THR 210 Cb 0.15 1.17 -0.03 0.00 -1.73 0.00 0.00 68.15 67.71 3a46 h THR 210 CO -0.02 0.20 0.28 0.50 -0.25 0.00 0.00 175.52 176.23 3a46 h LYS 211 N 0.21 1.16 -0.64 4.72 3.64 -1.17 0.16 116.57 124.64 3a46 h LYS 211 Ca 0.08 -0.22 -0.08 0.00 -1.27 0.00 0.00 60.65 59.15 3a46 h LYS 211 Cb 0.25 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3a46 h LYS 211 CO -0.00 0.96 0.09 1.25 -2.27 0.00 0.00 179.45 179.47 3a46 h LEU 212 N 1.12 1.03 -0.20 5.20 5.85 -0.73 -1.28 115.31 126.30 3a46 h LEU 212 Ca 0.25 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3a46 h LEU 212 Cb 0.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3a46 h LEU 212 CO -0.02 1.04 0.01 0.00 -0.34 0.00 0.00 178.44 179.14 3a46 h ALA 213 N 1.03 0.26 -0.48 1.25 0.00 -0.61 -2.61 119.26 118.10 3a46 h ALA 213 Ca 0.19 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3a46 h ALA 213 Cb 0.46 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3a46 h ALA 213 CO 0.02 -0.03 0.16 -0.92 0.00 0.00 0.00 179.25 178.47 3a46 h TYR 214 N 0.11 0.27 0.00 0.00 3.20 -0.52 -2.08 116.97 117.94 3a46 h TYR 214 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3a46 h TYR 214 Cb 0.37 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3a46 h TYR 214 CO 0.03 0.08 0.00 -0.44 -1.64 0.00 0.00 178.16 176.19 3a46 h ASP 215 N 0.32 0.00 -4.23 -2.11 3.32 -1.15 -3.46 116.42 109.11 3a46 h ASP 215 Ca 0.23 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.77 3a46 h ASP 215 Cb 0.26 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.92 3a46 h ASP 215 CO -0.25 0.00 0.36 -0.44 -1.72 0.00 0.00 179.24 177.18 3a46 s SER 216 N -4.44 4.95 -0.01 6.45 0.01 -0.78 -4.99 113.70 114.89 3a46 s SER 216 Ca 0.04 1.94 0.12 0.00 1.31 0.00 0.00 55.95 59.36 3a46 s SER 216 Cb 0.09 -2.54 -0.15 0.00 0.21 0.00 0.00 66.02 63.63 3a46 s SER 216 CO 0.41 -1.73 0.44 0.59 0.41 0.00 0.00 173.24 173.36 3a46 n ASN 217 N -2.74 1.04 -2.75 2.44 3.02 -1.26 -4.85 115.26 110.17 3a46 n ASN 217 Ca 0.10 -0.55 -0.09 0.00 -0.03 0.00 0.00 54.58 54.01 3a46 n ASN 217 Cb 0.52 1.17 0.07 0.00 -0.61 0.00 0.00 39.78 40.93 3a46 n ASN 217 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a46 n HIS 218 N -1.48 -2.96 0.13 3.10 1.44 -1.26 -4.67 115.22 109.52 3a46 n HIS 218 Ca 0.01 -2.04 -0.01 0.00 -2.01 0.00 0.00 57.72 53.67 3a46 n HIS 218 Cb 0.23 1.56 0.25 0.00 0.12 0.00 0.00 29.99 32.15 3a46 n HIS 218 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3a46 h ILE 219 N 2.95 1.33 0.00 0.61 2.04 -1.89 -3.48 117.51 119.07 3a46 h ILE 219 Ca -0.11 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.16 3a46 h ILE 219 Cb 1.07 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3a46 h ILE 219 CO 0.21 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.43 3a46 n GLY 220 N -0.16 1.24 0.95 5.37 0.00 -1.26 -5.01 105.19 106.30 3a46 n GLY 220 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 3a46 n GLY 220 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a46 n TYR 221 N 0.00 0.17 -2.75 1.61 4.02 -1.26 -4.37 117.16 114.57 3a46 n TYR 221 Ca 0.00 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.90 57.69 3a46 n TYR 221 Cb 0.00 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.35 3a46 n TYR 221 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3a46 n MET 222 N 1.28 1.11 0.16 -0.72 0.00 -1.26 -4.82 117.12 112.88 3a46 n MET 222 Ca 0.15 -3.12 0.09 0.00 0.00 0.00 0.00 57.70 54.82 3a46 n MET 222 Cb 0.56 -1.21 0.60 0.00 0.00 0.00 0.00 33.22 33.17 3a46 n MET 222 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 3a46 h VAL 223 N 2.57 0.98 0.00 3.17 3.04 -1.96 -2.01 116.25 122.05 3a46 h VAL 223 Ca -0.08 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.56 3a46 h VAL 223 Cb 1.15 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 3a46 h VAL 223 CO 0.44 0.02 0.00 0.59 -1.01 0.00 0.00 177.57 177.61 3a46 n ASN 224 N -4.51 0.03 -0.02 3.17 5.03 -1.26 -2.37 115.26 115.33 3a46 n ASN 224 Ca 0.00 0.51 0.00 0.00 0.87 0.00 0.00 54.58 55.97 3a46 n ASN 224 Cb 0.16 -0.52 0.00 0.00 -1.02 0.00 0.00 39.78 38.41 3a46 n ASN 224 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a46 n LEU 225 N -1.54 1.64 -0.32 3.41 4.77 -0.76 -4.60 117.00 119.59 3a46 n LEU 225 Ca 0.03 -1.60 0.24 0.00 -0.03 0.00 0.00 56.01 54.65 3a46 n LEU 225 Cb 0.14 -0.01 0.54 0.00 -2.33 0.00 0.00 43.42 41.77 3a46 n LEU 225 CO 0.11 0.41 1.23 -0.33 -1.33 0.00 0.00 177.39 177.48 3a46 h GLU 226 N 0.09 0.33 -0.22 3.23 5.08 -1.38 0.83 114.58 122.53 3a46 h GLU 226 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3a46 h GLU 226 Cb 0.31 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3a46 h GLU 226 CO 0.00 0.22 -0.31 -0.91 -1.00 0.00 0.00 179.01 177.00 3a46 h ASN 227 N 0.34 0.66 -0.60 1.42 2.35 -1.86 -3.09 115.58 114.80 3a46 h ASN 227 Ca 0.59 -0.51 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3a46 h ASN 227 Cb 1.59 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.75 3a46 h ASN 227 CO -0.26 1.04 0.23 -0.33 -1.65 0.00 0.00 177.43 176.46 3a46 h GLU 228 N 0.30 0.94 -0.88 0.81 3.07 -1.32 -2.76 114.58 114.74 3a46 h GLU 228 Ca 0.02 -0.17 0.15 0.00 -0.50 0.00 0.00 59.36 58.87 3a46 h GLU 228 Cb 0.89 -0.16 -0.10 0.00 -0.84 0.00 0.00 28.75 28.55 3a46 h GLU 228 CO 0.07 0.79 0.47 0.77 -1.40 0.00 0.00 179.01 179.71 3a46 h SER 229 N 0.92 0.59 1.37 1.42 0.02 -0.86 -1.07 113.55 115.94 3a46 h SER 229 Ca 0.21 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 3a46 h SER 229 Cb 0.22 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3a46 h SER 229 CO -0.01 0.24 -0.49 0.77 -1.14 0.00 0.00 176.83 176.20 3a46 h SER 230 N 0.66 0.00 -0.06 3.07 4.64 -1.48 -3.25 113.55 117.13 3a46 h SER 230 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3a46 h SER 230 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3a46 h SER 230 CO -0.36 0.49 0.00 0.29 -0.87 0.00 0.00 176.83 176.38 3a46 n LYS 231 N -3.28 1.45 -4.34 4.77 5.02 -0.44 -4.87 118.16 116.48 3a46 n LYS 231 Ca 0.02 -0.67 -0.20 0.00 -2.02 0.00 0.00 58.31 55.43 3a46 n LYS 231 Cb 0.70 -1.42 -0.11 0.00 -0.02 0.00 0.00 35.03 34.19 3a46 n LYS 231 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3a46 s ILE 232 N -1.92 1.77 0.00 -0.18 2.07 -0.98 -5.07 121.20 116.89 3a46 s ILE 232 Ca 0.36 -2.06 0.00 0.00 -1.41 0.00 0.00 60.65 57.53 3a46 s ILE 232 Cb 0.18 -1.93 0.00 0.00 0.13 0.00 0.00 42.46 40.84 3a46 s ILE 232 CO 0.29 -0.46 0.00 0.61 -1.91 0.00 0.00 174.94 173.47 3a46 n GLY 233 N -0.05 -0.34 2.95 1.50 0.00 -1.26 -4.95 105.19 103.05 3a46 n GLY 233 Ca -0.10 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 3a46 n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a46 s ARG 234 N 0.29 0.24 0.64 1.61 1.81 -1.26 -5.08 118.95 117.19 3a46 s ARG 234 Ca 0.00 -0.45 -0.15 0.00 -1.72 0.00 0.00 55.73 53.41 3a46 s ARG 234 Cb 0.00 0.05 -0.01 0.00 -0.45 0.00 0.00 34.95 34.54 3a46 s ARG 234 CO 0.00 -0.03 1.09 0.15 -0.68 0.00 0.00 175.30 175.83 3a46 s LYS 235 N -1.06 2.99 -1.31 3.54 -0.14 -1.26 -4.93 119.74 117.57 3a46 s LYS 235 Ca -0.11 1.29 -0.07 0.00 -1.36 0.00 0.00 55.97 55.72 3a46 s LYS 235 Cb -0.07 -1.98 0.14 0.00 -1.68 0.00 0.00 37.83 34.23 3a46 s LYS 235 CO -0.01 -1.09 2.17 -1.71 -0.76 0.00 0.00 175.35 173.95 3a46 n ASN 236 N -2.33 6.77 -4.81 2.83 5.15 -1.26 -4.98 115.26 116.62 3a46 n ASN 236 Ca 0.10 -3.12 -0.33 0.00 -0.60 0.00 0.00 54.58 50.62 3a46 n ASN 236 Cb 0.52 -1.41 -0.05 0.00 -0.53 0.00 0.00 39.78 38.31 3a46 n ASN 236 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3a46 s TYR 237 N -0.46 3.14 -0.98 1.20 2.02 -1.26 -3.81 117.35 117.21 3a46 s TYR 237 Ca 0.48 1.58 -0.13 0.00 -0.37 0.00 0.00 57.07 58.63 3a46 s TYR 237 Cb 0.14 -2.97 0.02 0.00 -0.40 0.00 0.00 41.96 38.75 3a46 s TYR 237 CO -0.05 -0.54 0.64 0.72 -1.57 0.00 0.00 175.55 174.75 3a46 n HIS 238 N -0.90 -1.83 -0.22 2.71 8.25 -1.26 -4.82 115.22 117.15 3a46 n HIS 238 Ca 0.08 0.55 0.02 0.00 -0.26 0.00 0.00 57.72 58.11 3a46 n HIS 238 Cb 0.53 -2.83 0.13 0.00 1.12 0.00 0.00 29.99 28.94 3a46 n HIS 238 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3a46 h PRO 239 N -1.17 0.37 0.00 -0.41 0.11 -1.99 -2.46 132.00 126.44 3a46 h PRO 239 Ca -0.65 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.44 3a46 h PRO 239 Cb 1.39 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3a46 h PRO 239 CO 0.42 0.24 0.00 0.09 -0.21 0.00 0.00 178.00 178.55 3a46 n ASN 240 N -5.04 0.00 -4.59 -2.05 5.03 -1.26 -4.74 115.26 102.62 3a46 n ASN 240 Ca 0.10 -0.46 -0.34 0.00 0.87 0.00 0.00 54.58 54.76 3a46 n ASN 240 Cb 0.33 -0.13 -0.11 0.00 -1.02 0.00 0.00 39.78 38.85 3a46 n ASN 240 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3a46 s ILE 241 N -2.26 3.88 -0.35 2.41 1.09 -0.93 -5.09 121.20 119.95 3a46 s ILE 241 Ca 0.31 -0.40 -0.01 0.00 -1.10 0.00 0.00 60.65 59.45 3a46 s ILE 241 Cb 0.17 -2.62 0.13 0.00 -1.06 0.00 0.00 42.46 39.08 3a46 s ILE 241 CO 0.33 0.58 0.19 -1.00 -0.10 0.00 0.00 174.94 174.93 3a46 s HIS 242 N -0.57 0.89 0.58 3.97 3.76 -1.26 -4.97 115.29 117.68 3a46 s HIS 242 Ca 0.09 -1.60 -0.18 0.00 -0.15 0.00 0.00 55.06 53.22 3a46 s HIS 242 Cb -0.12 -1.11 -0.10 0.00 1.11 0.00 0.00 32.58 32.37 3a46 s HIS 242 CO 0.02 -0.83 0.35 -2.30 -0.85 0.00 0.00 174.74 171.13 3a46 n PRO 243 N 4.26 0.36 0.00 8.40 -0.02 -1.26 -4.94 135.00 141.80 3a46 n PRO 243 Ca 0.07 0.14 -0.20 0.00 -2.02 0.00 0.00 63.50 61.49 3a46 n PRO 243 Cb 0.38 -1.53 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 3a46 n PRO 243 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3a46 h THR 244 N 0.10 1.21 -4.27 3.45 2.02 -2.00 -3.47 112.91 109.96 3a46 h THR 244 Ca -0.44 -2.41 -0.50 0.00 0.77 0.00 0.00 66.41 63.82 3a46 h THR 244 Cb 1.40 2.86 0.08 0.00 -1.74 0.00 0.00 68.15 70.75 3a46 h THR 244 CO 0.45 0.67 0.37 -1.83 0.37 0.00 0.00 175.52 175.55 3a46 s GLU 245 N -2.43 3.13 0.12 6.66 1.03 -1.26 -4.98 118.70 120.96 3a46 s GLU 245 Ca -0.19 1.07 0.18 0.00 0.03 0.00 0.00 54.97 56.06 3a46 s GLU 245 Cb 0.03 -2.01 -0.08 0.00 -0.80 0.00 0.00 34.13 31.27 3a46 s GLU 245 CO 0.76 -0.95 0.95 1.57 -1.33 0.00 0.00 175.26 176.26 3a46 h LYS 246 N -0.14 0.00 -5.06 -4.83 2.10 -1.99 -3.47 116.57 103.17 3a46 h LYS 246 Ca -0.45 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.85 3a46 h LYS 246 Cb 1.21 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.36 3a46 h LYS 246 CO 0.57 0.25 -0.74 -2.00 -2.00 0.00 0.00 179.45 175.53 3a46 s GLU 247 N -3.01 0.84 -0.24 0.07 2.56 -1.26 -4.75 118.70 112.91 3a46 s GLU 247 Ca -0.02 -1.11 -0.26 0.00 0.00 0.00 0.00 54.97 53.58 3a46 s GLU 247 Cb 0.09 -0.62 0.00 0.00 2.00 0.00 0.00 34.13 35.60 3a46 s GLU 247 CO 0.80 0.11 0.92 0.12 -0.56 0.00 0.00 175.26 176.64 3a46 s PHE 248 N -2.12 3.32 -0.00 5.30 5.36 -1.26 -5.04 117.98 123.53 3a46 s PHE 248 Ca 0.04 1.27 0.06 0.00 -0.96 0.00 0.00 56.93 57.33 3a46 s PHE 248 Cb -0.05 -3.14 -0.03 0.00 -0.34 0.00 0.00 43.02 39.46 3a46 s PHE 248 CO 0.01 -0.43 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.66 3a46 s ASP 249 N 1.28 3.84 -0.24 6.13 -0.00 -1.26 -4.87 116.67 121.55 3a46 s ASP 249 Ca 0.39 -0.33 -0.29 0.00 -0.00 0.00 0.00 52.55 52.32 3a46 s ASP 249 Cb -0.15 -0.69 0.00 0.00 -0.00 0.00 0.00 42.92 42.08 3a46 s ASP 249 CO 0.07 0.30 1.14 -0.36 -0.00 0.00 0.00 175.17 176.32 3a46 s PHE 250 N -0.81 3.07 0.00 4.23 0.08 -1.26 -4.90 117.98 118.40 3a46 s PHE 250 Ca 0.13 1.20 -0.02 0.00 0.12 0.00 0.00 56.93 58.37 3a46 s PHE 250 Cb -0.10 -3.51 -0.27 0.00 -0.57 0.00 0.00 43.02 38.57 3a46 s PHE 250 CO 0.03 -1.05 0.85 -0.07 -0.10 0.00 0.00 175.22 174.88 3a46 h LEU 251 N 9.84 0.34 0.00 -0.37 4.07 -1.97 -3.43 115.31 123.80 3a46 h LEU 251 Ca -0.22 -0.49 0.00 0.00 0.08 0.00 0.00 57.88 57.25 3a46 h LEU 251 Cb 1.08 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.71 3a46 h LEU 251 CO 1.00 1.41 -0.40 1.33 -1.08 0.00 0.00 178.44 180.69 3a46 n VAL 252 N -3.42 0.00 -1.67 1.22 0.24 -1.26 -4.26 118.33 109.18 3a46 n VAL 252 Ca -0.16 0.00 -0.48 0.00 -2.04 0.00 0.00 64.34 61.66 3a46 n VAL 252 Cb 1.04 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 33.09 3a46 n VAL 252 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a46 n TYR 253 N -0.99 2.28 -1.80 6.34 4.19 -1.26 -1.07 117.16 124.84 3a46 n TYR 253 Ca 0.00 -0.01 -0.19 0.00 3.31 0.00 0.00 57.90 61.02 3a46 n TYR 253 Cb 0.16 -2.67 -0.06 0.00 0.49 0.00 0.00 39.34 37.26 3a46 n TYR 253 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3a46 n ARG 254 N 6.86 -1.53 -4.09 2.98 1.74 -1.26 -4.92 116.66 116.44 3a46 n ARG 254 Ca 0.24 1.05 -0.22 0.00 -0.77 0.00 0.00 57.85 58.15 3a46 n ARG 254 Cb 0.30 -5.49 -0.04 0.00 -1.02 0.00 0.00 32.46 26.21 3a46 n ARG 254 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3a46 s LYS 255 N -4.02 2.99 -0.06 5.56 -0.14 -0.24 -5.02 119.74 118.81 3a46 s LYS 255 Ca 0.00 -1.00 0.20 0.00 -1.36 0.00 0.00 55.97 53.81 3a46 s LYS 255 Cb 0.00 -2.61 -0.27 0.00 -1.68 0.00 0.00 37.83 33.26 3a46 s LYS 255 CO 0.00 0.41 0.41 1.63 -0.76 0.00 0.00 175.35 177.04 3a46 n LYS 256 N -1.13 0.66 -3.85 1.68 4.76 -1.26 -4.68 118.16 114.34 3a46 n LYS 256 Ca -0.08 -0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.17 3a46 n LYS 256 Cb 0.57 -1.56 -0.10 0.00 -1.84 0.00 0.00 35.03 32.10 3a46 n LYS 256 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3a46 s LYS 257 N -3.12 0.48 0.81 1.97 1.02 -1.26 -1.02 119.74 118.62 3a46 s LYS 257 Ca -0.08 -0.32 -0.13 0.00 0.02 0.00 0.00 55.97 55.47 3a46 s LYS 257 Cb 0.11 0.20 0.18 0.00 -0.52 0.00 0.00 37.83 37.80 3a46 s LYS 257 CO 0.87 -0.12 1.10 -0.40 -0.92 0.00 0.00 175.35 175.88 3a46 n ASP 258 N 1.57 0.17 0.21 2.83 5.75 -0.17 -4.86 116.55 122.04 3a46 n ASP 258 Ca -0.22 -1.45 0.17 0.00 -0.01 0.00 0.00 54.79 53.29 3a46 n ASP 258 Cb 0.56 -0.83 0.83 0.00 -1.03 0.00 0.00 41.12 40.65 3a46 n ASP 258 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3a46 h PRO 259 N 0.00 0.00 0.00 0.11 0.11 -1.91 -2.06 132.00 128.25 3a46 h PRO 259 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3a46 h PRO 259 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3a46 h PRO 259 CO 0.26 0.00 -0.64 0.09 -0.21 0.00 0.00 178.00 177.50 3a46 n ASN 260 N -3.78 0.59 0.00 -2.05 3.02 -1.26 -4.94 115.26 106.84 3a46 n ASN 260 Ca 0.01 -0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3a46 n ASN 260 Cb 0.32 0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 3a46 n ASN 260 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a46 n GLY 261 N 1.46 0.68 3.75 7.41 0.00 -0.78 -5.07 105.19 112.64 3a46 n GLY 261 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3a46 n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a46 s ASN 262 N -2.26 7.03 0.43 1.61 0.02 -1.26 -4.73 114.94 115.77 3a46 s ASN 262 Ca 0.00 2.41 -0.26 0.00 -1.02 0.00 0.00 52.86 54.00 3a46 s ASN 262 Cb 0.00 -2.63 -0.08 0.00 0.02 0.00 0.00 41.25 38.56 3a46 s ASN 262 CO 0.00 -0.36 1.35 -0.75 0.02 0.00 0.00 177.10 177.36 3a46 s LYS 263 N -1.12 3.83 -0.19 -0.60 2.20 -1.26 -1.00 119.74 121.59 3a46 s LYS 263 Ca 0.49 2.26 -0.04 0.00 -0.36 0.00 0.00 55.97 58.32 3a46 s LYS 263 Cb -0.35 -2.70 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 3a46 s LYS 263 CO 0.43 -0.64 -0.03 0.08 -0.36 0.00 0.00 175.35 174.83 3a46 s VAL 264 N -1.24 3.70 -0.11 4.02 1.01 -0.19 -4.14 120.40 123.45 3a46 s VAL 264 Ca 0.59 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 3a46 s VAL 264 Cb -0.40 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 3a46 s VAL 264 CO 0.52 0.45 0.35 -0.63 0.00 0.00 0.00 175.10 175.79 3a46 s ILE 265 N 0.94 5.23 -1.04 2.22 1.01 -0.21 -4.79 121.20 124.56 3a46 s ILE 265 Ca 0.00 0.69 -0.15 0.00 0.00 0.00 0.00 60.65 61.19 3a46 s ILE 265 Cb -0.15 -3.68 0.18 0.00 0.01 0.00 0.00 42.46 38.83 3a46 s ILE 265 CO 0.01 0.43 1.17 0.00 0.00 0.00 0.00 174.94 176.56 3a46 s ALA 266 N 0.04 3.89 0.18 9.38 0.00 -1.26 -2.35 121.76 131.64 3a46 s ALA 266 Ca 0.20 -3.21 -0.14 0.00 0.00 0.00 0.00 51.96 48.81 3a46 s ALA 266 Cb -0.14 -3.92 -0.07 0.00 0.00 0.00 0.00 23.12 18.98 3a46 s ALA 266 CO 0.08 -2.69 0.58 0.34 0.00 0.00 0.00 175.76 174.06 3a46 s ASP 267 N 2.80 6.82 -0.74 0.00 3.68 0.17 -4.85 116.67 124.55 3a46 s ASP 267 Ca 0.34 1.10 -0.03 0.00 2.13 0.00 0.00 52.55 56.08 3a46 s ASP 267 Cb -0.06 -2.30 0.19 0.00 -1.45 0.00 0.00 42.92 39.30 3a46 s ASP 267 CO -0.06 0.05 0.59 -0.54 0.13 0.00 0.00 175.17 175.34 3a46 s LYS 268 N -2.15 2.92 -0.24 4.34 1.02 -1.26 0.15 119.74 124.52 3a46 s LYS 268 Ca 0.41 -2.81 -0.12 0.00 0.02 0.00 0.00 55.97 53.47 3a46 s LYS 268 Cb -0.14 -3.87 -0.17 0.00 -0.52 0.00 0.00 37.83 33.13 3a46 s LYS 268 CO 0.20 -1.22 -0.10 -0.89 -0.92 0.00 0.00 175.35 172.41 3a46 n ILE 269 N 3.09 1.56 -3.71 2.17 5.41 -1.26 -5.00 119.36 121.62 3a46 n ILE 269 Ca 0.13 -0.38 -0.30 0.00 1.00 0.00 0.00 62.75 63.21 3a46 n ILE 269 Cb 0.38 -1.80 -0.04 0.00 -0.71 0.00 0.00 39.64 37.47 3a46 n ILE 269 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3a46 s ILE 270 N -2.48 5.21 0.00 1.39 -4.36 -1.26 -5.01 121.20 114.68 3a46 s ILE 270 Ca -0.34 -0.19 0.00 0.00 -0.26 0.00 0.00 60.65 59.86 3a46 s ILE 270 Cb 0.10 -3.67 0.00 0.00 1.25 0.00 0.00 42.46 40.14 3a46 s ILE 270 CO 0.57 -0.05 0.00 0.61 0.24 0.00 0.00 174.94 176.31 3a46 n GLY 271 N -0.24 -0.52 3.48 6.27 0.00 -1.26 -2.40 105.19 110.52 3a46 n GLY 271 Ca -0.04 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 3a46 n GLY 271 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a46 s SER 272 N -2.70 0.98 0.03 1.61 1.04 -1.26 -4.70 113.70 108.69 3a46 s SER 272 Ca 0.00 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.92 3a46 s SER 272 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3a46 s SER 272 CO 0.00 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.54 3a46 n GLY 273 N -0.57 2.12 1.97 7.32 0.00 -1.26 -0.55 105.19 114.22 3a46 n GLY 273 Ca 0.01 0.33 -0.05 0.00 0.00 0.00 0.00 46.02 46.32 3a46 n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a46 n LYS 274 N 13.69 3.80 -0.04 1.61 4.01 -1.26 -4.28 118.16 135.69 3a46 n LYS 274 Ca 0.00 -2.98 0.02 0.00 -0.51 0.00 0.00 58.31 54.83 3a46 n LYS 274 Cb 0.00 -2.20 0.02 0.00 -0.51 0.00 0.00 35.03 32.34 3a46 n LYS 274 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 3a46 n ASN 275 N -0.03 1.49 -4.77 4.39 0.23 0.29 -5.06 115.26 111.79 3a46 n ASN 275 Ca 0.38 -1.95 -0.40 0.00 -0.53 0.00 0.00 54.58 52.08 3a46 n ASN 275 Cb 1.34 -0.08 0.01 0.00 -2.08 0.00 0.00 39.78 38.97 3a46 n ASN 275 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3a46 s LYS 276 N -1.01 3.82 0.21 -3.83 1.02 -1.20 -4.51 119.74 114.23 3a46 s LYS 276 Ca 0.05 2.36 0.11 0.00 0.02 0.00 0.00 55.97 58.51 3a46 s LYS 276 Cb 0.04 -2.72 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 3a46 s LYS 276 CO 0.00 -0.69 -0.20 1.03 -0.92 0.00 0.00 175.35 174.57 3a46 s ARG 277 N -2.35 1.66 -0.24 1.68 1.81 -1.01 -4.99 118.95 115.51 3a46 s ARG 277 Ca 0.59 -1.53 -0.10 0.00 -1.72 0.00 0.00 55.73 52.96 3a46 s ARG 277 Cb -0.42 -1.89 -0.05 0.00 -0.45 0.00 0.00 34.95 32.14 3a46 s ARG 277 CO 0.55 0.39 0.16 0.99 -0.68 0.00 0.00 175.30 176.71 3a46 s THR 278 N -1.87 5.32 -0.27 0.02 2.01 -1.26 -4.10 115.64 115.49 3a46 s THR 278 Ca 0.24 0.17 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 3a46 s THR 278 Cb -0.07 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.93 3a46 s THR 278 CO 0.12 0.33 0.09 -0.89 -0.69 0.00 0.00 174.62 173.58 3a46 s THR 279 N 1.16 4.28 -0.09 -0.82 2.01 0.40 -4.91 115.64 117.67 3a46 s THR 279 Ca 0.07 -0.33 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 3a46 s THR 279 Cb -0.14 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 3a46 s THR 279 CO 0.05 0.23 0.39 -0.31 -0.69 0.00 0.00 174.62 174.30 3a46 s TYR 280 N 1.59 3.57 0.08 4.92 2.02 -1.26 -0.65 117.35 127.62 3a46 s TYR 280 Ca 0.05 0.83 -0.21 0.00 -0.37 0.00 0.00 57.07 57.37 3a46 s TYR 280 Cb -0.16 -2.38 0.05 0.00 -0.40 0.00 0.00 41.96 39.07 3a46 s TYR 280 CO 0.04 0.37 0.50 1.67 -1.57 0.00 0.00 175.55 176.55 3a46 s TRP 281 N -0.05 -0.38 -0.44 2.71 1.48 -0.99 -4.77 118.94 116.50 3a46 s TRP 281 Ca 0.22 0.30 -0.08 0.00 -1.06 0.00 0.00 56.10 55.48 3a46 s TRP 281 Cb -0.15 0.35 0.11 0.00 -1.16 0.00 0.00 33.47 32.62 3a46 s TRP 281 CO 0.09 -0.68 0.29 0.00 -4.06 0.00 0.00 176.95 172.59 3a46 s ALA 282 N -2.97 3.32 0.33 2.67 0.00 -1.26 -1.05 121.76 122.80 3a46 s ALA 282 Ca -0.02 -2.42 0.12 0.00 0.00 0.00 0.00 51.96 49.63 3a46 s ALA 282 Cb -0.00 -2.70 0.95 0.00 0.00 0.00 0.00 23.12 21.37 3a46 s ALA 282 CO -0.06 -1.81 1.72 -1.35 0.00 0.00 0.00 175.76 174.26 3a46 h PRO 283 N 8.37 0.50 -0.49 0.00 0.11 -1.80 0.17 132.00 138.86 3a46 h PRO 283 Ca -0.20 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.85 3a46 h PRO 283 Cb 1.07 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3a46 h PRO 283 CO 0.80 0.33 0.19 0.00 -0.21 0.00 0.00 178.00 179.11 3a46 h ALA 284 N 1.73 1.41 0.06 -0.75 0.00 -1.93 -3.26 119.26 116.52 3a46 h ALA 284 Ca 0.66 -0.14 -0.31 0.00 0.00 0.00 0.00 54.91 55.11 3a46 h ALA 284 Cb 1.34 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3a46 h ALA 284 CO -0.47 0.45 -1.72 -0.89 0.00 0.00 0.00 179.25 176.62 3a46 n ILE 285 N -4.34 1.66 -3.10 0.00 -0.00 -0.30 -4.62 119.36 108.65 3a46 n ILE 285 Ca 0.04 -0.37 -0.45 0.00 -0.00 0.00 0.00 62.75 61.97 3a46 n ILE 285 Cb 0.16 -1.87 -0.01 0.00 -0.00 0.00 0.00 39.64 37.93 3a46 n ILE 285 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3a46 s GLN 286 N -2.47 3.93 0.52 0.38 -0.21 0.45 -4.74 119.66 117.52 3a46 s GLN 286 Ca -0.26 -2.53 0.04 0.00 0.02 0.00 0.00 55.36 52.62 3a46 s GLN 286 Cb 0.07 -4.80 0.10 0.00 1.00 0.00 0.00 33.01 29.38 3a46 s GLN 286 CO 0.68 -1.56 0.72 1.63 -2.12 0.00 0.00 175.29 174.64 3a46 n LYS 287 N 4.84 0.35 -3.29 2.91 5.02 -1.25 -4.25 118.16 122.49 3a46 n LYS 287 Ca 0.27 -2.31 -0.09 0.00 -2.02 0.00 0.00 58.31 54.16 3a46 n LYS 287 Cb 0.44 -0.37 0.01 0.00 -0.02 0.00 0.00 35.03 35.09 3a46 n LYS 287 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3a46 n LEU 288 N 0.00 -5.27 0.00 -0.35 7.99 -1.26 -4.03 117.00 114.08 3a46 n LEU 288 Ca 0.13 -0.38 0.00 0.00 -0.01 0.00 0.00 56.01 55.75 3a46 n LEU 288 Cb 0.47 -2.83 0.00 0.00 -0.11 0.00 0.00 43.42 40.96 3a46 n LEU 288 CO 0.31 -0.60 0.20 -1.84 -1.51 0.00 0.00 177.39 173.95