#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 2.33 0.13 -0.52 2.02 -1.26 -4.88 118.70 116.51 3a46 s GLU 3 Ca 0.00 -1.82 -0.24 0.00 0.02 0.00 0.00 54.97 52.94 3a46 s GLU 3 Cb 0.00 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 3a46 s GLU 3 CO 0.00 -0.30 1.22 0.41 0.02 0.00 0.00 175.26 176.61 3a46 n GLY 4 N -1.50 -2.03 0.36 -1.39 0.00 0.20 -1.06 105.19 99.77 3a46 n GLY 4 Ca -0.00 0.94 0.09 0.00 0.00 0.00 0.00 46.02 47.04 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 0.88 -0.43 1.61 0.11 -1.88 -0.38 132.00 131.92 3a46 h PRO 5 Ca 0.13 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 3a46 h PRO 5 Cb 0.33 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3a46 h PRO 5 CO -0.75 0.58 -0.14 0.93 -0.21 0.00 0.00 178.00 178.42 3a46 h GLU 6 N 0.91 0.85 -0.48 1.05 3.07 -1.44 -1.69 114.58 116.84 3a46 h GLU 6 Ca 0.50 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.91 3a46 h GLU 6 Cb 0.58 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 3a46 h GLU 6 CO -0.26 0.98 -0.11 0.28 -1.40 0.00 0.00 179.01 178.49 3a46 h VAL 7 N 0.67 1.26 -0.17 3.13 2.07 -0.84 -0.72 116.25 121.66 3a46 h VAL 7 Ca 0.10 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 3a46 h VAL 7 Cb 0.69 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3a46 h VAL 7 CO 0.05 0.42 0.00 0.00 0.02 0.00 0.00 177.57 178.07 3a46 h ALA 8 N 1.07 0.23 -0.73 1.67 0.00 -0.98 -1.13 119.26 119.39 3a46 h ALA 8 Ca 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3a46 h ALA 8 Cb 0.63 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3a46 h ALA 8 CO 0.04 -0.07 0.30 1.25 0.00 0.00 0.00 179.25 180.78 3a46 h LEU 9 N 0.05 1.00 -0.83 0.00 5.85 -1.24 -1.63 115.31 118.52 3a46 h LEU 9 Ca 0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3a46 h LEU 9 Cb 0.37 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3a46 h LEU 9 CO 0.01 0.90 0.53 0.74 -0.34 0.00 0.00 178.44 180.28 3a46 h THR 10 N 1.05 1.22 -0.74 1.05 2.02 -1.01 -1.08 112.91 115.42 3a46 h THR 10 Ca 0.25 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 3a46 h THR 10 Cb 0.20 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 3a46 h THR 10 CO -0.02 0.22 0.23 0.00 0.37 0.00 0.00 175.52 176.32 3a46 h ALA 11 N 1.29 0.97 -0.81 6.16 0.00 -0.75 -0.62 119.26 125.49 3a46 h ALA 11 Ca 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3a46 h ALA 11 Cb -0.10 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.36 3a46 h ALA 11 CO -0.06 0.66 0.41 -0.44 0.00 0.00 0.00 179.25 179.82 3a46 h ASP 12 N 1.10 1.05 -0.31 0.00 3.32 -0.62 0.12 116.42 121.08 3a46 h ASP 12 Ca 0.24 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 3a46 h ASP 12 Cb 0.31 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3a46 h ASP 12 CO -0.01 0.87 -0.10 0.40 -1.72 0.00 0.00 179.24 178.69 3a46 h ILE 13 N 1.14 1.29 -0.75 0.35 2.04 -0.99 -1.25 117.51 119.34 3a46 h ILE 13 Ca 0.28 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 64.99 3a46 h ILE 13 Cb 0.09 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3a46 h ILE 13 CO -0.04 0.37 0.50 -0.07 0.00 0.00 0.00 178.15 178.91 3a46 h LEU 14 N 0.37 0.86 -0.40 1.44 3.38 -0.69 -1.21 115.31 119.07 3a46 h LEU 14 Ca 0.07 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 3a46 h LEU 14 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3a46 h LEU 14 CO 0.04 0.62 -0.15 -0.33 0.09 0.00 0.00 178.44 178.71 3a46 h GLU 15 N 1.02 0.81 -0.44 1.13 5.08 -0.57 0.22 114.58 121.84 3a46 h GLU 15 Ca 0.28 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3a46 h GLU 15 Cb -0.11 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3a46 h GLU 15 CO -0.06 0.96 0.18 -0.22 -1.00 0.00 0.00 179.01 178.87 3a46 h LYS 16 N 0.62 0.36 0.00 2.33 3.64 -0.28 -1.51 116.57 121.74 3a46 h LYS 16 Ca 0.09 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 3a46 h LYS 16 Cb 0.69 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3a46 h LYS 16 CO 0.05 0.24 -1.19 1.88 -2.27 0.00 0.00 179.45 178.16 3a46 h TYR 17 N 0.37 0.00 0.00 1.91 0.05 -1.21 -3.42 116.97 114.68 3a46 h TYR 17 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 3a46 h TYR 17 Cb 0.15 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3a46 h TYR 17 CO -0.13 0.32 0.00 1.19 -1.05 0.00 0.00 178.16 178.49 3a46 n PHE 18 N -2.82 0.00 -2.05 4.88 3.72 0.78 -4.90 117.46 117.08 3a46 n PHE 18 Ca -0.05 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.96 3a46 n PHE 18 Cb 0.71 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 3a46 n PHE 18 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3a46 s LYS 19 N -0.47 3.84 0.00 -1.08 2.20 -0.57 -1.72 119.74 121.94 3a46 s LYS 19 Ca 0.00 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 3a46 s LYS 19 Cb 0.00 -2.65 0.00 0.00 -1.51 0.00 0.00 37.83 33.67 3a46 s LYS 19 CO 0.00 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 3a46 n GLY 20 N 0.64 2.77 3.85 5.54 0.00 0.15 -4.98 105.19 113.16 3a46 n GLY 20 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 3.88 -0.21 1.61 3.01 -0.70 -4.73 119.74 122.60 3a46 s LYS 21 Ca 0.00 0.81 -0.08 0.00 -1.01 0.00 0.00 55.97 55.69 3a46 s LYS 21 Cb 0.00 -2.20 -0.04 0.00 -1.01 0.00 0.00 37.83 34.58 3a46 s LYS 21 CO 0.00 -0.22 0.09 0.99 0.51 0.00 0.00 175.35 176.72 3a46 s THR 22 N -2.59 4.81 -0.17 2.17 2.01 -1.26 -0.73 115.64 119.88 3a46 s THR 22 Ca 0.57 -0.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.33 3a46 s THR 22 Cb -0.10 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.17 3a46 s THR 22 CO 0.33 0.40 0.66 -0.22 -0.69 0.00 0.00 174.62 175.09 3a46 s LEU 23 N 0.87 4.18 -0.18 4.42 2.96 0.13 -1.25 118.68 129.81 3a46 s LEU 23 Ca 0.05 0.93 0.16 0.00 -0.22 0.00 0.00 54.13 55.04 3a46 s LEU 23 Cb -0.13 -2.95 -0.23 0.00 0.50 0.00 0.00 46.19 43.38 3a46 s LEU 23 CO 0.03 -0.25 0.06 -0.62 -1.32 0.00 0.00 176.35 174.24 3a46 n GLU 24 N 4.81 0.96 -3.55 1.98 1.02 0.60 -1.71 120.64 124.75 3a46 n GLU 24 Ca -0.01 -0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 56.99 3a46 n GLU 24 Cb 0.50 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.45 -0.51 -0.07 -0.32 5.04 -0.90 -4.65 117.35 113.50 3a46 s TYR 25 Ca -0.10 0.84 0.01 0.00 -2.44 0.00 0.00 57.07 55.39 3a46 s TYR 25 Cb 0.06 0.44 0.02 0.00 0.35 0.00 0.00 41.96 42.82 3a46 s TYR 25 CO 0.75 -0.48 -0.08 -1.50 -1.34 0.00 0.00 175.55 172.90 3a46 s ILE 26 N -1.27 0.89 -0.01 3.14 2.07 -1.26 0.78 121.20 125.55 3a46 s ILE 26 Ca -0.06 -0.31 0.04 0.00 -1.41 0.00 0.00 60.65 58.92 3a46 s ILE 26 Cb -0.00 -0.86 -0.01 0.00 0.13 0.00 0.00 42.46 41.71 3a46 s ILE 26 CO 0.05 0.31 -0.14 -0.62 -1.91 0.00 0.00 174.94 172.63 3a46 s ASP 27 N 0.97 1.68 -0.48 4.50 2.15 0.35 -4.97 116.67 120.88 3a46 s ASP 27 Ca -0.09 -0.26 -0.09 0.00 0.43 0.00 0.00 52.55 52.53 3a46 s ASP 27 Cb -0.15 -0.19 0.12 0.00 -0.30 0.00 0.00 42.92 42.41 3a46 s ASP 27 CO 0.00 0.17 0.36 -0.36 -0.17 0.00 0.00 175.17 175.17 3a46 s PHE 28 N -0.35 3.42 -0.66 -5.34 0.40 -1.26 -0.16 117.98 114.03 3a46 s PHE 28 Ca 0.05 -1.86 0.25 0.00 -0.60 0.00 0.00 56.93 54.78 3a46 s PHE 28 Cb -0.06 -3.52 0.63 0.00 0.51 0.00 0.00 43.02 40.58 3a46 s PHE 28 CO -0.01 -1.00 1.64 -0.84 0.70 0.00 0.00 175.22 175.72 3a46 h ILE 29 N 6.11 0.00 -2.52 0.64 3.07 -1.63 -3.38 117.51 119.80 3a46 h ILE 29 Ca -0.21 -0.56 0.14 0.00 1.55 0.00 0.00 64.86 65.78 3a46 h ILE 29 Cb 1.07 1.46 -0.05 0.00 -0.27 0.00 0.00 36.82 39.03 3a46 h ILE 29 CO 0.87 0.00 0.48 -0.94 -1.05 0.00 0.00 178.15 177.51 3a46 s SER 30 N -4.71 -0.10 0.00 2.16 1.04 -1.24 -4.96 113.70 105.89 3a46 s SER 30 Ca 0.09 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3a46 s SER 30 Cb 0.11 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.79 3a46 s SER 30 CO 0.64 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 174.41 3a46 n GLY 31 N -0.55 -1.81 0.21 7.32 0.00 -1.26 -4.12 105.19 104.97 3a46 n GLY 31 Ca -0.05 -1.57 -0.04 0.00 0.00 0.00 0.00 46.02 44.35 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 0.52 0.00 1.61 0.11 -1.93 -2.68 114.38 112.02 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 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 30.96 3a46 h ARG 32 CO 0.00 0.34 0.00 0.66 0.10 0.00 0.00 179.97 181.07 3a46 n TYR 33 N -4.86 0.00 0.01 4.08 4.01 -1.24 -0.93 117.16 118.23 3a46 n TYR 33 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3a46 n TYR 33 Cb 0.13 -0.16 -0.10 0.00 -0.31 0.00 0.00 39.34 38.90 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 -1.16 0.68 0.04 7.72 3.41 -1.01 -3.85 113.62 119.44 3a46 n SER 34 Ca 0.13 0.30 -0.11 0.00 -0.26 0.00 0.00 58.87 58.93 3a46 n SER 34 Cb 0.13 0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.38 3a46 n SER 34 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3a46 h LYS 35 N 0.00 0.08 -2.50 4.33 1.79 -1.21 -3.45 116.57 115.60 3a46 h LYS 35 Ca -0.19 -0.14 -0.09 0.00 -2.18 0.00 0.00 60.65 58.05 3a46 h LYS 35 Cb 1.60 0.05 -0.26 0.00 -1.58 0.00 0.00 32.23 32.04 3a46 h LYS 35 CO 0.04 0.89 -0.31 0.45 -1.08 0.00 0.00 179.45 179.43 3a46 s SER 36 N -6.62 -0.42 0.55 0.86 0.15 -0.10 -5.13 113.70 102.99 3a46 s SER 36 Ca -0.04 1.02 -0.20 0.00 0.70 0.00 0.00 55.95 57.43 3a46 s SER 36 Cb 0.08 1.20 -0.05 0.00 -1.71 0.00 0.00 66.02 65.55 3a46 s SER 36 CO 0.83 -0.22 1.18 -1.61 1.20 0.00 0.00 173.24 174.63 3a46 s GLU 37 N 2.17 3.27 0.88 5.44 0.41 -1.25 -3.73 118.70 125.88 3a46 s GLU 37 Ca -0.05 1.77 -0.11 0.00 -0.41 0.00 0.00 54.97 56.17 3a46 s GLU 37 Cb -0.10 -2.07 0.13 0.00 -1.78 0.00 0.00 34.13 30.30 3a46 s GLU 37 CO -0.13 -0.96 1.16 -2.14 -0.49 0.00 0.00 175.26 172.70 3a46 s PRO 38 N -3.17 1.23 0.20 0.39 0.02 -1.26 -4.93 135.00 127.49 3a46 s PRO 38 Ca 0.73 1.60 -0.31 0.00 0.02 0.00 0.00 61.00 63.04 3a46 s PRO 38 Cb -0.28 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.39 3a46 s PRO 38 CO 0.32 -2.48 1.52 -2.00 -0.33 0.00 0.00 177.00 174.03 3a46 s GLU 39 N -4.51 4.23 -0.07 5.54 2.12 -1.26 -2.30 118.70 122.45 3a46 s GLU 39 Ca 0.68 2.35 0.00 0.00 0.36 0.00 0.00 54.97 58.36 3a46 s GLU 39 Cb -0.24 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.02 3a46 s GLU 39 CO 0.56 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.15 3a46 n GLY 40 N 3.05 0.40 0.09 -1.50 0.00 -1.26 -1.37 105.19 104.61 3a46 n GLY 40 Ca 0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 0.20 -0.77 1.61 3.20 -1.74 -2.59 116.97 116.88 3a46 h TYR 41 Ca -0.01 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.86 3a46 h TYR 41 Cb 0.31 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 3a46 h TYR 41 CO 0.19 0.39 0.49 -0.44 -1.64 0.00 0.00 178.16 177.14 3a46 h ASP 42 N -0.05 0.80 -0.47 -2.11 3.45 -1.92 -1.23 116.42 114.90 3a46 h ASP 42 Ca 0.03 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.40 3a46 h ASP 42 Cb 0.30 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 3a46 h ASP 42 CO 0.00 0.55 -0.06 0.44 -1.57 0.00 0.00 179.24 178.61 3a46 h ASP 43 N 0.95 0.86 0.23 6.45 3.32 -1.98 -2.60 116.42 123.65 3a46 h ASP 43 Ca 0.31 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3a46 h ASP 43 Cb 0.02 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.34 3a46 h ASP 43 CO -0.11 0.99 -0.11 0.15 -1.72 0.00 0.00 179.24 178.43 3a46 h PHE 44 N 0.71 -0.29 -0.16 4.55 3.04 -1.05 -2.61 116.94 121.12 3a46 h PHE 44 Ca 0.12 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.07 3a46 h PHE 44 Cb 0.59 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 3a46 h PHE 44 CO 0.04 -0.18 0.11 0.82 -2.02 0.00 0.00 178.31 177.08 3a46 h ILE 45 N -0.31 1.04 0.00 1.41 1.08 -1.25 0.88 117.51 120.35 3a46 h ILE 45 Ca -0.03 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3a46 h ILE 45 Cb 0.24 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3a46 h ILE 45 CO 0.05 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.54 3a46 h ALA 46 N 1.90 1.00 -0.05 1.87 0.00 -1.09 -2.96 119.26 119.93 3a46 h ALA 46 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a46 h ALA 46 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3a46 h ALA 46 CO -0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.33 3a46 n ASN 47 N -2.47 2.50 -4.84 0.00 3.02 0.29 -4.98 115.26 108.77 3a46 n ASN 47 Ca 0.01 -1.74 -0.32 0.00 -0.03 0.00 0.00 54.58 52.51 3a46 n ASN 47 Cb 0.24 -0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.42 3.44 0.66 3.41 1.43 -1.12 -4.51 118.68 120.57 3a46 s LEU 48 Ca 0.21 1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 54.75 3a46 s LEU 48 Cb 0.15 -4.50 -0.00 0.00 0.03 0.00 0.00 46.19 41.86 3a46 s LEU 48 CO 0.22 -0.85 1.07 -2.16 0.23 0.00 0.00 176.35 174.85 3a46 s PRO 49 N -4.50 3.00 -0.02 1.29 0.04 -1.26 -5.07 135.00 128.49 3a46 s PRO 49 Ca 0.58 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 3a46 s PRO 49 Cb -0.12 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3a46 s PRO 49 CO 0.41 -1.06 0.10 -0.51 0.04 0.00 0.00 177.00 175.98 3a46 s LEU 50 N -5.12 1.66 0.00 -3.56 1.43 -0.70 -4.85 118.68 107.54 3a46 s LEU 50 Ca 0.61 -0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.48 3a46 s LEU 50 Cb -0.16 0.45 -0.06 0.00 0.03 0.00 0.00 46.19 46.46 3a46 s LEU 50 CO 0.47 -0.20 0.55 -0.75 0.23 0.00 0.00 176.35 176.66 3a46 s LYS 51 N -0.69 4.25 -0.30 1.70 2.20 -0.26 0.22 119.74 126.86 3a46 s LYS 51 Ca -0.08 0.67 -0.28 0.00 -0.36 0.00 0.00 55.97 55.92 3a46 s LYS 51 Cb -0.05 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 32.97 3a46 s LYS 51 CO 0.00 0.44 0.99 0.08 -0.36 0.00 0.00 175.35 176.51 3a46 s VAL 52 N -0.41 4.62 -0.17 4.02 1.01 0.09 -1.22 120.40 128.33 3a46 s VAL 52 Ca 0.29 1.66 -0.03 0.00 0.00 0.00 0.00 61.98 63.90 3a46 s VAL 52 Cb -0.18 -4.32 -0.23 0.00 0.00 0.00 0.00 36.38 31.65 3a46 s VAL 52 CO 0.16 -0.35 0.15 -1.54 0.00 0.00 0.00 175.10 173.52 3a46 n SER 53 N 6.58 2.04 -3.69 3.32 3.41 -0.08 0.34 113.62 125.54 3a46 n SER 53 Ca 0.10 0.08 -0.10 0.00 -0.26 0.00 0.00 58.87 58.69 3a46 n SER 53 Cb 0.47 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 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 -6.82 -0.25 -0.13 4.04 -0.87 -1.04 -4.70 114.94 105.18 3a46 s ASN 54 Ca -0.27 -0.41 -0.03 0.00 -1.57 0.00 0.00 52.86 50.59 3a46 s ASN 54 Cb 0.07 0.52 0.05 0.00 -0.02 0.00 0.00 41.25 41.87 3a46 s ASN 54 CO 0.71 -0.95 0.05 -0.69 -2.57 0.00 0.00 177.10 173.64 3a46 s VAL 55 N -3.84 0.20 0.32 1.60 1.01 -1.26 -0.57 120.40 117.87 3a46 s VAL 55 Ca 0.07 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.99 3a46 s VAL 55 Cb 0.01 -0.61 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 3a46 s VAL 55 CO -0.07 -0.03 0.07 -0.62 0.00 0.00 0.00 175.10 174.45 3a46 s ASP 56 N 2.02 2.20 0.07 3.32 -1.08 -0.21 -4.77 116.67 118.22 3a46 s ASP 56 Ca 0.03 -1.41 -0.07 0.00 -0.52 0.00 0.00 52.55 50.58 3a46 s ASP 56 Cb -0.15 0.02 -0.01 0.00 -1.46 0.00 0.00 42.92 41.33 3a46 s ASP 56 CO -0.07 -0.66 0.13 0.42 0.52 0.00 0.00 175.17 175.51 3a46 s THR 57 N -3.37 0.16 -0.20 1.71 -4.23 -1.26 -0.86 115.64 107.59 3a46 s THR 57 Ca 0.35 -1.31 -0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3a46 s THR 57 Cb 0.08 -1.34 0.10 0.00 1.34 0.00 0.00 72.50 72.68 3a46 s THR 57 CO 0.15 -0.73 0.26 -0.75 -0.54 0.00 0.00 174.62 173.02 3a46 s LYS 58 N -3.75 0.21 7.91 3.99 2.20 -0.12 -5.01 119.74 125.18 3a46 s LYS 58 Ca 0.04 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 3a46 s LYS 58 Cb 0.05 -0.82 0.00 0.00 -1.51 0.00 0.00 37.83 35.55 3a46 s LYS 58 CO -0.10 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 3a46 n GLY 59 N 5.33 3.65 0.91 5.54 0.00 -1.26 -0.89 105.19 118.48 3a46 n GLY 59 Ca -0.05 -0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 13.87 2.18 -3.54 1.61 5.02 -1.26 -4.40 118.16 131.64 3a46 n LYS 60 Ca 0.00 -1.80 -0.37 0.00 -2.02 0.00 0.00 58.31 54.13 3a46 n LYS 60 Cb 0.00 -1.44 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.51 3.41 0.13 2.13 5.36 -0.07 -4.49 117.98 122.95 3a46 s PHE 61 Ca 0.36 0.51 0.10 0.00 -0.96 0.00 0.00 56.93 56.94 3a46 s PHE 61 Cb 0.20 -2.35 -0.04 0.00 -0.34 0.00 0.00 43.02 40.48 3a46 s PHE 61 CO 0.27 0.16 -0.23 -1.17 -1.46 0.00 0.00 175.22 172.79 3a46 s LEU 62 N 0.74 2.47 -0.06 6.12 0.20 -0.81 -0.94 118.68 126.40 3a46 s LEU 62 Ca 0.15 -0.69 -0.23 0.00 0.69 0.00 0.00 54.13 54.04 3a46 s LEU 62 Cb -0.13 -1.33 0.05 0.00 -0.43 0.00 0.00 46.19 44.34 3a46 s LEU 62 CO 0.04 0.17 0.52 -1.66 -0.29 0.00 0.00 176.35 175.13 3a46 s TRP 63 N -1.17 -0.47 -0.12 5.38 -2.14 -0.04 -0.59 118.94 119.80 3a46 s TRP 63 Ca 0.16 0.86 -0.05 0.00 2.66 0.00 0.00 56.10 59.74 3a46 s TRP 63 Cb -0.10 0.26 -0.04 0.00 -3.10 0.00 0.00 33.47 30.49 3a46 s TRP 63 CO 0.08 -0.47 0.06 -0.06 -2.66 0.00 0.00 176.95 173.90 3a46 s PHE 64 N -1.00 3.33 -0.17 1.66 0.40 -0.29 -1.05 117.98 120.87 3a46 s PHE 64 Ca -0.10 0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.50 3a46 s PHE 64 Cb -0.03 -1.89 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 3a46 s PHE 64 CO 0.06 0.50 -0.10 -2.00 0.70 0.00 0.00 175.22 174.38 3a46 s GLU 65 N -0.70 3.36 0.22 0.44 2.12 0.27 -1.30 118.70 123.10 3a46 s GLU 65 Ca 0.12 -0.67 0.04 0.00 0.36 0.00 0.00 54.97 54.83 3a46 s GLU 65 Cb -0.12 -2.77 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 3a46 s GLU 65 CO 0.02 0.04 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.23 3a46 s LEU 66 N 0.82 2.33 0.13 2.70 1.02 0.10 -0.91 118.68 124.88 3a46 s LEU 66 Ca -0.03 -1.15 -0.20 0.00 0.02 0.00 0.00 54.13 52.77 3a46 s LEU 66 Cb -0.15 -0.36 0.05 0.00 0.02 0.00 0.00 46.19 45.75 3a46 s LEU 66 CO 0.01 -0.43 0.49 0.72 0.02 0.00 0.00 176.35 177.17 3a46 s PHE 67 N -3.32 -0.36 -0.33 0.29 -0.71 -0.36 -0.13 117.98 113.06 3a46 s PHE 67 Ca 0.25 0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 56.06 3a46 s PHE 67 Cb 0.04 0.39 0.00 0.00 -1.21 0.00 0.00 43.02 42.24 3a46 s PHE 67 CO 0.07 -0.75 0.72 0.34 -1.34 0.00 0.00 175.22 174.26 3a46 s ASP 68 N -2.67 6.54 0.29 1.98 3.68 -1.11 -1.10 116.67 124.28 3a46 s ASP 68 Ca 0.01 0.42 0.00 0.00 2.13 0.00 0.00 52.55 55.11 3a46 s ASP 68 Cb 0.00 -2.37 0.69 0.00 -1.45 0.00 0.00 42.92 39.79 3a46 s ASP 68 CO -0.11 -0.61 1.61 -0.65 0.13 0.00 0.00 175.17 175.54 3a46 h PRO 69 N 8.30 0.09 0.00 4.34 0.11 -1.93 0.38 132.00 143.29 3a46 h PRO 69 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3a46 h PRO 69 Cb 1.10 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3a46 h PRO 69 CO 0.86 0.06 0.00 0.09 -0.21 0.00 0.00 178.00 178.80 3a46 n ASN 70 N -5.37 0.52 -3.38 -2.05 4.13 -1.26 -4.15 115.26 103.69 3a46 n ASN 70 Ca 0.21 0.55 -0.26 0.00 1.68 0.00 0.00 54.58 56.76 3a46 n ASN 70 Cb 0.69 -0.69 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 3a46 n ASN 70 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 3a46 n ASP 71 N -1.99 0.82 0.00 6.41 4.64 0.13 -4.96 116.55 121.60 3a46 n ASP 71 Ca 0.06 -2.75 0.00 0.00 -1.38 0.00 0.00 54.79 50.71 3a46 n ASP 71 Cb 0.38 -0.63 0.00 0.00 -1.04 0.00 0.00 41.12 39.83 3a46 n ASP 71 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 3a46 n LYS 72 N 1.90 0.00 0.06 -0.67 5.02 -1.03 -0.93 118.16 122.50 3a46 n LYS 72 Ca 0.25 0.28 -0.15 0.00 -2.02 0.00 0.00 58.31 56.67 3a46 n LYS 72 Cb 0.47 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.81 3a46 n LYS 72 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3a46 h SER 73 N 0.00 0.32 -1.59 4.39 0.87 -1.93 -3.43 113.55 112.18 3a46 h SER 73 Ca 0.00 -0.45 -0.45 0.00 -1.23 0.00 0.00 61.79 59.66 3a46 h SER 73 Cb 0.07 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 61.88 3a46 h SER 73 CO 0.00 1.38 1.15 0.21 -0.53 0.00 0.00 176.83 179.03 3a46 s ASN 74 N -6.88 5.41 -0.14 6.23 3.04 -0.11 -4.96 114.94 117.53 3a46 s ASN 74 Ca -0.08 -0.17 -0.01 0.00 0.04 0.00 0.00 52.86 52.64 3a46 s ASN 74 Cb 0.07 -2.54 -0.02 0.00 -1.54 0.00 0.00 41.25 37.22 3a46 s ASN 74 CO 0.85 -2.37 -0.11 -0.54 -3.04 0.00 0.00 177.10 171.89 3a46 s LYS 75 N 6.75 3.44 0.19 0.43 1.02 -1.26 -2.77 119.74 127.54 3a46 s LYS 75 Ca 0.63 -0.65 0.10 0.00 0.02 0.00 0.00 55.97 56.07 3a46 s LYS 75 Cb -0.09 -2.71 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 3a46 s LYS 75 CO 0.12 0.19 -0.17 -1.58 -0.92 0.00 0.00 175.35 172.99 3a46 s TRP 76 N 0.43 2.47 0.03 3.18 0.52 0.81 -4.45 118.94 121.95 3a46 s TRP 76 Ca -0.08 -0.29 0.04 0.00 0.02 0.00 0.00 56.10 55.79 3a46 s TRP 76 Cb -0.15 -1.22 -0.02 0.00 -1.15 0.00 0.00 33.47 30.93 3a46 s TRP 76 CO 0.04 0.51 -0.13 0.71 0.02 0.00 0.00 176.95 178.10 3a46 s TYR 77 N -1.69 1.12 -0.23 -1.98 1.51 0.20 0.01 117.35 116.28 3a46 s TYR 77 Ca 0.23 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 55.97 3a46 s TYR 77 Cb -0.08 -0.67 0.05 0.00 -0.11 0.00 0.00 41.96 41.15 3a46 s TYR 77 CO 0.13 0.02 -0.14 0.42 -1.11 0.00 0.00 175.55 174.87 3a46 s ILE 78 N -0.83 2.09 -0.00 2.71 1.01 -0.42 -1.62 121.20 124.13 3a46 s ILE 78 Ca 0.01 -1.37 -0.21 0.00 0.00 0.00 0.00 60.65 59.07 3a46 s ILE 78 Cb -0.08 -2.10 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3a46 s ILE 78 CO 0.01 0.16 0.63 0.26 0.00 0.00 0.00 174.94 176.00 3a46 s TRP 79 N 1.18 3.68 -0.01 3.97 0.52 0.21 -1.13 118.94 127.36 3a46 s TRP 79 Ca -0.04 1.24 -0.00 0.00 0.02 0.00 0.00 56.10 57.32 3a46 s TRP 79 Cb -0.18 -2.66 0.01 0.00 -1.15 0.00 0.00 33.47 29.50 3a46 s TRP 79 CO -0.08 0.31 0.02 1.21 0.02 0.00 0.00 176.95 178.44 3a46 s ASN 80 N -0.06 0.02 -0.03 2.95 3.04 0.25 -1.52 114.94 119.59 3a46 s ASN 80 Ca 0.33 0.04 0.06 0.00 0.04 0.00 0.00 52.86 53.33 3a46 s ASN 80 Cb -0.18 -0.01 -0.01 0.00 -1.54 0.00 0.00 41.25 39.50 3a46 s ASN 80 CO 0.18 -0.06 -0.21 0.28 -3.04 0.00 0.00 177.10 174.25 3a46 s THR 81 N 0.48 1.72 -0.08 -5.21 -1.32 -0.12 -1.93 115.64 109.19 3a46 s THR 81 Ca -0.04 -0.91 0.14 0.00 -1.21 0.00 0.00 61.69 59.67 3a46 s THR 81 Cb -0.06 -1.44 -0.12 0.00 -1.51 0.00 0.00 72.50 69.37 3a46 s THR 81 CO -0.01 0.49 1.00 -0.26 -2.21 0.00 0.00 174.62 173.62 3a46 h PHE 82 N 5.80 0.00 0.00 9.09 -1.00 -1.87 0.27 116.94 129.23 3a46 h PHE 82 Ca -0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.41 3a46 h PHE 82 Cb 1.15 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.71 3a46 h PHE 82 CO 0.41 0.71 0.00 0.41 -1.61 0.00 0.00 178.31 178.23 3a46 n GLY 83 N 1.38 1.17 0.07 -1.45 0.00 -1.26 -0.96 105.19 104.15 3a46 n GLY 83 Ca -0.07 -0.74 0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 0.43 -0.04 0.99 4.77 -1.26 -4.60 117.00 117.29 3a46 n LEU 84 Ca 0.00 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3a46 n LEU 84 Cb 0.00 0.11 0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3a46 n LEU 84 CO 0.00 0.11 0.35 0.35 -1.33 0.00 0.00 177.39 176.87 3a46 n THR 85 N -2.63 0.42 -2.02 -5.08 -2.24 -1.25 -4.57 114.28 96.91 3a46 n THR 85 Ca -0.11 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 60.84 3a46 n THR 85 Cb 0.77 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.54 2.95 -0.11 3.38 0.00 -0.14 -4.22 107.32 108.63 3a46 s GLY 86 Ca 0.01 1.30 -0.14 0.00 0.00 0.00 0.00 44.72 45.89 3a46 s GLY 86 CO 0.00 1.91 0.38 1.06 0.00 0.00 0.00 173.10 176.45 3a46 s MET 87 N -2.13 0.52 0.19 2.90 -1.94 0.41 -4.76 119.30 114.48 3a46 s MET 87 Ca 0.55 0.37 0.05 0.00 -1.71 0.00 0.00 55.69 54.95 3a46 s MET 87 Cb -0.40 0.25 -0.04 0.00 2.01 0.00 0.00 34.83 36.65 3a46 s MET 87 CO 0.52 -0.09 0.19 -1.58 -0.01 0.00 0.00 175.02 174.05 3a46 s TRP 88 N -0.17 3.21 0.17 -0.03 0.52 -1.26 0.04 118.94 121.42 3a46 s TRP 88 Ca -0.03 -0.02 -0.23 0.00 0.02 0.00 0.00 56.10 55.84 3a46 s TRP 88 Cb -0.03 -1.51 0.06 0.00 -1.15 0.00 0.00 33.47 30.83 3a46 s TRP 88 CO 0.02 0.51 0.69 -1.54 0.02 0.00 0.00 176.95 176.65 3a46 s SER 89 N -3.35 -0.44 0.00 2.95 1.04 0.17 -4.36 113.70 109.71 3a46 s SER 89 Ca 0.32 -0.19 0.26 0.00 0.48 0.00 0.00 55.95 56.82 3a46 s SER 89 Cb -0.10 0.60 0.62 0.00 0.10 0.00 0.00 66.02 67.25 3a46 s SER 89 CO 0.25 -1.03 1.48 0.18 0.98 0.00 0.00 173.24 175.10 3a46 n LEU 90 N -0.39 0.94 -4.27 2.42 4.77 -1.26 -0.65 117.00 118.56 3a46 n LEU 90 Ca -0.12 -0.23 -0.19 0.00 -0.03 0.00 0.00 56.01 55.45 3a46 n LEU 90 Cb 0.63 -0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 3a46 n LEU 90 CO 0.13 0.19 -0.45 0.72 -1.33 0.00 0.00 177.39 176.64 3a46 s PHE 91 N -2.65 1.52 -1.22 -1.77 -0.71 -1.26 -4.77 117.98 107.11 3a46 s PHE 91 Ca 0.20 -0.55 -0.21 0.00 -1.04 0.00 0.00 56.93 55.33 3a46 s PHE 91 Cb 0.19 -0.77 -0.01 0.00 -1.21 0.00 0.00 43.02 41.22 3a46 s PHE 91 CO 0.58 0.20 1.82 -2.00 -1.34 0.00 0.00 175.22 174.49 3a46 s GLU 92 N -2.86 3.25 0.99 1.99 2.12 -1.26 -4.70 118.70 118.23 3a46 s GLU 92 Ca 0.12 -1.53 -0.17 0.00 0.36 0.00 0.00 54.97 53.75 3a46 s GLU 92 Cb -0.04 -5.38 0.25 0.00 0.26 0.00 0.00 34.13 29.21 3a46 s GLU 92 CO 0.04 -3.08 0.82 0.00 -0.54 0.00 0.00 175.26 172.49 3a46 n ALA 93 N 11.33 -2.93 -1.73 6.30 0.00 -1.26 -4.94 120.51 127.29 3a46 n ALA 93 Ca 0.46 -1.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.31 3a46 n ALA 93 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 3a46 n ALA 93 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3a46 s LYS 94 N -4.87 3.49 -1.33 0.00 2.20 -1.26 -3.23 119.74 114.73 3a46 s LYS 94 Ca 0.55 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 3a46 s LYS 94 Cb -0.06 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.21 3a46 s LYS 94 CO 0.43 -0.69 0.00 0.66 -0.36 0.00 0.00 175.35 175.38 3a46 n TYR 95 N -1.49 -0.16 -1.96 4.03 0.53 -1.26 -4.69 117.16 112.16 3a46 n TYR 95 Ca 0.10 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.56 3a46 n TYR 95 Cb 0.52 -2.51 -0.03 0.00 -1.03 0.00 0.00 39.34 36.29 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 -2.53 2.72 -0.10 -0.72 2.01 -1.20 -0.98 115.64 114.84 3a46 s THR 96 Ca 0.00 0.51 0.00 0.00 0.31 0.00 0.00 61.69 62.51 3a46 s THR 96 Cb 0.00 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.12 3a46 s THR 96 CO 0.00 0.04 -0.09 0.54 -0.69 0.00 0.00 174.62 174.41 3a46 n ARG 97 N 4.06 0.25 -5.10 4.92 5.12 0.70 -4.46 116.66 122.15 3a46 n ARG 97 Ca 0.14 0.06 -0.29 0.00 -1.93 0.00 0.00 57.85 55.83 3a46 n ARG 97 Cb 0.39 -1.17 -0.16 0.00 -1.16 0.00 0.00 32.46 30.36 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 -2.20 1.87 -0.20 7.54 0.00 -0.84 -1.63 121.76 126.31 3a46 s ALA 98 Ca -0.14 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3a46 s ALA 98 Cb 0.04 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.66 3a46 s ALA 98 CO 0.23 0.41 -0.14 0.08 0.00 0.00 0.00 175.76 176.33 3a46 s VAL 99 N -0.31 1.88 -0.26 0.00 1.01 0.77 -1.75 120.40 121.73 3a46 s VAL 99 Ca 0.03 -1.06 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 3a46 s VAL 99 Cb -0.11 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3a46 s VAL 99 CO 0.01 0.29 0.15 -0.76 0.00 0.00 0.00 175.10 174.79 3a46 s LEU 100 N 1.31 3.88 -0.32 3.92 1.02 -0.20 -0.49 118.68 127.80 3a46 s LEU 100 Ca 0.00 -0.04 -0.11 0.00 0.02 0.00 0.00 54.13 54.00 3a46 s LEU 100 Cb -0.15 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 43.98 3a46 s LEU 100 CO -0.10 -0.02 0.20 -0.44 0.02 0.00 0.00 176.35 176.01 3a46 s SER 101 N 1.56 5.80 0.46 2.29 0.01 0.23 -1.89 113.70 122.16 3a46 s SER 101 Ca 0.07 -0.48 0.08 0.00 1.31 0.00 0.00 55.95 56.93 3a46 s SER 101 Cb -0.15 -2.07 0.02 0.00 0.21 0.00 0.00 66.02 64.03 3a46 s SER 101 CO 0.08 -0.21 0.59 -0.36 0.41 0.00 0.00 173.24 173.74 3a46 s PHE 102 N 1.67 2.47 0.65 2.43 0.40 0.11 -0.29 117.98 125.41 3a46 s PHE 102 Ca 0.05 -0.49 -0.16 0.00 -0.60 0.00 0.00 56.93 55.73 3a46 s PHE 102 Cb -0.17 -2.31 -0.00 0.00 0.51 0.00 0.00 43.02 41.05 3a46 s PHE 102 CO 0.08 -0.54 1.13 0.34 0.70 0.00 0.00 175.22 176.93 3a46 s ASP 103 N -4.39 5.08 -0.84 1.36 -1.08 -0.38 -3.49 116.67 112.93 3a46 s ASP 103 Ca 0.55 2.07 -0.01 0.00 -0.52 0.00 0.00 52.55 54.64 3a46 s ASP 103 Cb -0.08 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 3a46 s ASP 103 CO 0.33 -1.65 0.13 0.59 0.52 0.00 0.00 175.17 175.09 3a46 n ASN 104 N -2.29 -3.61 0.00 -0.34 3.02 -1.26 -3.16 115.26 107.63 3a46 n ASN 104 Ca 0.11 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 3a46 n ASN 104 Cb 0.52 -2.71 0.00 0.00 -0.61 0.00 0.00 39.78 36.97 3a46 n ASN 104 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3a46 n GLU 105 N -2.16 -0.53 -1.88 3.52 2.13 -1.23 -4.97 120.64 115.52 3a46 n GLU 105 Ca -0.10 0.13 -0.41 0.00 0.66 0.00 0.00 57.16 57.45 3a46 n GLU 105 Cb 0.58 -3.89 -0.01 0.00 0.27 0.00 0.00 31.44 28.39 3a46 n GLU 105 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3a46 s LEU 106 N 0.00 4.35 0.05 4.31 2.01 -1.19 -4.87 118.68 123.34 3a46 s LEU 106 Ca 0.00 2.90 0.03 0.00 0.01 0.00 0.00 54.13 57.07 3a46 s LEU 106 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 46.19 42.53 3a46 s LEU 106 CO 0.00 -0.80 -0.10 -0.04 1.01 0.00 0.00 176.35 176.41 3a46 s MET 107 N -1.28 0.66 -0.01 1.70 -1.94 -1.26 -0.71 119.30 116.45 3a46 s MET 107 Ca 0.56 -0.76 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 3a46 s MET 107 Cb -0.45 -0.55 0.00 0.00 2.01 0.00 0.00 34.83 35.85 3a46 s MET 107 CO 0.54 0.12 -0.04 0.00 -0.01 0.00 0.00 175.02 175.62 3a46 s ALA 108 N -1.16 0.43 0.04 3.03 0.00 -0.80 -4.77 121.76 118.52 3a46 s ALA 108 Ca -0.05 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.80 3a46 s ALA 108 Cb -0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.86 3a46 s ALA 108 CO 0.01 0.08 -0.14 0.71 0.00 0.00 0.00 175.76 176.41 3a46 s TYR 109 N 0.07 1.26 -0.14 0.00 1.51 0.18 -1.03 117.35 119.20 3a46 s TYR 109 Ca -0.00 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.72 3a46 s TYR 109 Cb -0.04 -0.75 0.02 0.00 -0.11 0.00 0.00 41.96 41.08 3a46 s TYR 109 CO -0.00 0.03 -0.16 0.12 -1.11 0.00 0.00 175.55 174.44 3a46 s PHE 110 N -0.81 2.23 0.16 2.71 5.36 -0.72 0.45 117.98 127.35 3a46 s PHE 110 Ca 0.02 -1.21 0.10 0.00 -0.96 0.00 0.00 56.93 54.88 3a46 s PHE 110 Cb -0.08 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 40.95 3a46 s PHE 110 CO 0.01 -0.64 -0.18 -1.54 -1.46 0.00 0.00 175.22 171.42 3a46 s SER 111 N 1.31 3.85 -0.31 6.13 1.04 0.11 -0.22 113.70 125.60 3a46 s SER 111 Ca 0.02 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 55.85 3a46 s SER 111 Cb -0.13 -0.50 0.20 0.00 0.10 0.00 0.00 66.02 65.68 3a46 s SER 111 CO -0.08 0.14 0.62 -0.62 0.98 0.00 0.00 173.24 174.28 3a46 s ASP 112 N -2.47 -1.55 0.14 7.02 2.15 -0.15 -0.45 116.67 121.36 3a46 s ASP 112 Ca 0.20 0.00 -0.24 0.00 0.43 0.00 0.00 52.55 52.94 3a46 s ASP 112 Cb -0.09 1.97 -0.00 0.00 -0.30 0.00 0.00 42.92 44.50 3a46 s ASP 112 CO 0.11 -0.26 1.62 -0.03 -0.17 0.00 0.00 175.17 176.44 3a46 h MET 113 N 7.75 -0.32 -0.00 4.34 1.85 -1.79 -2.55 114.93 124.20 3a46 h MET 113 Ca -0.00 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 3a46 h MET 113 Cb 1.19 0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.29 3a46 h MET 113 CO 0.13 -0.22 -0.14 0.54 -0.40 0.00 0.00 176.91 176.82 3a46 n ARG 114 N -5.39 0.36 -3.17 0.39 1.74 -1.26 -4.95 116.66 104.38 3a46 n ARG 114 Ca -0.02 -0.11 -0.21 0.00 -0.77 0.00 0.00 57.85 56.74 3a46 n ARG 114 Cb 0.31 -1.50 0.05 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 -1.23 -5.86 0.01 0.55 3.02 -0.96 -4.90 115.26 105.90 3a46 n ASN 115 Ca 0.11 -0.35 0.11 0.00 -0.03 0.00 0.00 54.58 54.42 3a46 n ASN 115 Cb 0.30 -4.60 0.07 0.00 -0.61 0.00 0.00 39.78 34.94 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 -4.56 0.14 -1.13 3.10 3.72 -1.26 -4.87 117.46 112.59 3a46 n PHE 116 Ca -0.06 0.04 -0.31 0.00 -0.05 0.00 0.00 57.45 57.07 3a46 n PHE 116 Cb 0.59 -0.30 0.11 0.00 -0.94 0.00 0.00 39.48 38.94 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 -3.33 1.70 0.09 1.37 0.00 -1.25 -4.41 107.32 101.49 3a46 s GLY 117 Ca 0.07 0.36 0.03 0.00 0.00 0.00 0.00 44.72 45.18 3a46 s GLY 117 CO 0.78 0.73 -0.09 -0.51 0.00 0.00 0.00 173.10 174.01 3a46 s THR 118 N -2.82 0.82 -0.01 0.90 -4.23 0.08 -4.94 115.64 105.46 3a46 s THR 118 Ca 0.63 -1.69 0.02 0.00 -1.18 0.00 0.00 61.69 59.47 3a46 s THR 118 Cb -0.19 -1.40 -0.00 0.00 1.34 0.00 0.00 72.50 72.25 3a46 s THR 118 CO 0.56 -0.65 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.56 3a46 s PHE 119 N -2.75 0.62 -0.07 3.99 0.40 -1.26 -0.94 117.98 117.97 3a46 s PHE 119 Ca 0.06 -0.12 -0.10 0.00 -0.60 0.00 0.00 56.93 56.18 3a46 s PHE 119 Cb -0.01 -0.40 0.02 0.00 0.51 0.00 0.00 43.02 43.14 3a46 s PHE 119 CO -0.01 -0.01 0.25 0.21 0.70 0.00 0.00 175.22 176.35 3a46 s LYS 120 N -0.14 0.38 -0.08 0.44 2.20 -0.58 -4.28 119.74 117.69 3a46 s LYS 120 Ca 0.02 0.18 0.05 0.00 -0.36 0.00 0.00 55.97 55.86 3a46 s LYS 120 Cb -0.03 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 3a46 s LYS 120 CO -0.00 -0.07 -0.23 -0.06 -0.36 0.00 0.00 175.35 174.63 3a46 s PHE 121 N -0.28 2.52 0.02 4.03 0.08 -0.47 0.66 117.98 124.55 3a46 s PHE 121 Ca -0.04 -0.82 -0.14 0.00 0.12 0.00 0.00 56.93 56.05 3a46 s PHE 121 Cb -0.03 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.78 3a46 s PHE 121 CO 0.01 -0.28 0.30 0.45 -0.10 0.00 0.00 175.22 175.60 3a46 s SER 122 N 0.05 -0.14 -0.19 1.36 0.15 -0.64 -4.20 113.70 110.09 3a46 s SER 122 Ca -0.09 -0.09 0.14 0.00 0.70 0.00 0.00 55.95 56.60 3a46 s SER 122 Cb -0.15 0.33 0.43 0.00 -1.71 0.00 0.00 66.02 64.92 3a46 s SER 122 CO 0.06 -0.54 1.20 -0.46 1.20 0.00 0.00 173.24 174.70 3a46 n ASN 123 N 0.87 2.06 -4.09 5.45 6.94 -1.26 0.60 115.26 125.83 3a46 n ASN 123 Ca -0.20 -3.47 -0.33 0.00 -0.02 0.00 0.00 54.58 50.57 3a46 n ASN 123 Cb 0.58 -0.46 -0.15 0.00 -2.36 0.00 0.00 39.78 37.40 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 -3.10 4.63 0.34 0.53 0.15 -1.26 -4.84 113.70 110.15 3a46 s SER 124 Ca 0.39 -1.52 0.14 0.00 0.70 0.00 0.00 55.95 55.66 3a46 s SER 124 Cb 0.38 -1.61 0.61 0.00 -1.71 0.00 0.00 66.02 63.69 3a46 s SER 124 CO -0.07 -0.25 1.73 -0.08 1.20 0.00 0.00 173.24 175.77 3a46 h GLU 125 N 7.81 0.00 -0.41 5.44 4.81 -1.93 -2.82 114.58 127.49 3a46 h GLU 125 Ca -0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3a46 h GLU 125 Cb 1.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3a46 h GLU 125 CO 0.50 0.45 0.27 0.87 -0.73 0.00 0.00 179.01 180.37 3a46 h LYS 126 N 0.00 0.54 -0.52 1.92 1.79 -2.00 -1.30 116.57 117.00 3a46 h LYS 126 Ca -0.00 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.33 3a46 h LYS 126 Cb 0.87 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 3a46 h LYS 126 CO 0.06 0.35 -0.08 1.49 -1.08 0.00 0.00 179.45 180.19 3a46 h GLU 127 N 0.55 0.95 -0.66 3.15 4.81 -1.94 -2.39 114.58 119.05 3a46 h GLU 127 Ca 0.15 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 3a46 h GLU 127 Cb -0.06 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3a46 h GLU 127 CO -0.03 0.99 0.27 1.25 -0.73 0.00 0.00 179.01 180.75 3a46 h LEU 128 N 0.85 0.90 -0.34 1.64 5.85 -1.25 -1.71 115.31 121.25 3a46 h LEU 128 Ca 0.14 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3a46 h LEU 128 Cb 0.62 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3a46 h LEU 128 CO 0.04 0.82 0.19 0.50 -0.34 0.00 0.00 178.44 179.65 3a46 h LYS 129 N 0.92 0.48 -0.46 1.25 3.64 -1.06 -0.63 116.57 120.71 3a46 h LYS 129 Ca 0.22 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3a46 h LYS 129 Cb 0.20 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3a46 h LYS 129 CO -0.02 0.39 0.16 0.00 -2.27 0.00 0.00 179.45 177.71 3a46 h ARG 130 N 0.44 0.66 -0.42 1.90 3.08 -1.27 -1.24 114.38 117.52 3a46 h ARG 130 Ca 0.12 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 3a46 h ARG 130 Cb 0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3a46 h ARG 130 CO -0.02 0.57 0.18 -0.22 -1.07 0.00 0.00 179.97 179.41 3a46 h LYS 131 N 0.66 0.62 -0.06 0.04 1.63 -0.67 -2.47 116.57 116.32 3a46 h LYS 131 Ca 0.16 -0.10 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 3a46 h LYS 131 Cb 0.17 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 3a46 h LYS 131 CO -0.01 0.56 -0.28 -0.07 -3.45 0.00 0.00 179.45 176.20 3a46 h LEU 132 N 0.54 0.11 -0.01 5.20 3.38 -0.58 -2.27 115.31 121.67 3a46 h LEU 132 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3a46 h LEU 132 Cb 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3a46 h LEU 132 CO -0.01 0.39 0.00 0.59 0.09 0.00 0.00 178.44 179.49 3a46 n ASN 133 N -4.17 0.01 0.04 -0.43 3.02 -0.52 -2.05 115.26 111.15 3a46 n ASN 133 Ca -0.02 0.50 0.13 0.00 -0.03 0.00 0.00 54.58 55.16 3a46 n ASN 133 Cb 0.35 -0.50 0.38 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.51 0.13 -4.30 3.52 1.02 -0.85 -4.80 120.64 113.84 3a46 n GLU 134 Ca 0.05 0.07 -0.35 0.00 -0.02 0.00 0.00 57.16 56.91 3a46 n GLU 134 Cb 0.23 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 29.94 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 -3.64 3.60 1.05 -4.62 1.43 -0.87 -4.57 118.68 111.06 3a46 s LEU 135 Ca 0.11 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 53.16 3a46 s LEU 135 Cb 0.16 -1.84 0.22 0.00 0.03 0.00 0.00 46.19 44.75 3a46 s LEU 135 CO 0.63 0.32 1.15 -0.83 0.23 0.00 0.00 176.35 177.85 3a46 s GLY 136 N -0.51 1.61 0.28 -3.19 0.00 0.08 -4.94 107.32 100.64 3a46 s GLY 136 Ca 0.09 -0.79 -0.29 0.00 0.00 0.00 0.00 44.72 43.73 3a46 s GLY 136 CO 0.02 -0.05 1.16 -1.05 0.00 0.00 0.00 173.10 173.18 3a46 n PRO 137 N -4.24 1.63 -2.08 2.90 -0.02 -1.26 -3.56 135.00 128.37 3a46 n PRO 137 Ca 0.10 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 3a46 n PRO 137 Cb 0.59 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 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 -0.30 6.14 0.49 2.55 -1.08 -1.26 -0.24 116.67 122.96 3a46 s ASP 138 Ca 0.61 1.38 0.22 0.00 -0.52 0.00 0.00 52.55 54.24 3a46 s ASP 138 Cb -0.68 -2.53 1.26 0.00 -1.46 0.00 0.00 42.92 39.51 3a46 s ASP 138 CO 0.58 -1.49 1.96 -0.26 0.52 0.00 0.00 175.17 176.47 3a46 h PHE 139 N 11.76 0.20 0.07 -5.34 0.05 -1.60 0.63 116.94 122.71 3a46 h PHE 139 Ca -0.33 0.01 -0.16 0.00 3.82 0.00 0.00 57.97 61.30 3a46 h PHE 139 Cb 1.16 -0.06 -0.00 0.00 2.00 0.00 0.00 35.95 39.04 3a46 h PHE 139 CO 0.94 0.08 -0.82 1.25 -0.18 0.00 0.00 178.31 179.58 3a46 h LEU 140 N 0.17 0.22 0.00 1.54 5.85 -1.90 -3.40 115.31 117.80 3a46 h LEU 140 Ca 0.31 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 58.17 3a46 h LEU 140 Cb 0.99 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.95 3a46 h LEU 140 CO -0.05 1.36 -0.59 0.11 -0.34 0.00 0.00 178.44 178.93 3a46 h LYS 141 N -0.65 0.00 -4.72 1.25 1.57 -1.91 -3.40 116.57 108.72 3a46 h LYS 141 Ca -0.18 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.92 3a46 h LYS 141 Cb 1.43 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.51 3a46 h LYS 141 CO 0.02 0.00 -0.54 1.21 -0.57 0.00 0.00 179.45 179.57 3a46 s ASN 142 N -5.22 5.63 0.00 0.86 3.84 0.20 -4.90 114.94 115.34 3a46 s ASN 142 Ca 0.04 -0.66 0.28 0.00 0.21 0.00 0.00 52.86 52.74 3a46 s ASN 142 Cb 0.10 -2.02 1.16 0.00 -0.55 0.00 0.00 41.25 39.94 3a46 s ASN 142 CO 0.73 -0.25 1.82 -0.67 -2.79 0.00 0.00 177.10 175.94 3a46 n ASP 143 N 4.99 0.55 -3.08 -4.21 2.03 -1.26 -4.32 116.55 111.25 3a46 n ASP 143 Ca -0.13 -0.63 -0.24 0.00 0.52 0.00 0.00 54.79 54.31 3a46 n ASP 143 Cb 0.48 -0.05 -0.04 0.00 -0.72 0.00 0.00 41.12 40.79 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 -0.90 2.92 -4.86 1.67 5.75 -1.26 -5.07 116.55 114.79 3a46 n ASP 144 Ca 0.14 -3.37 -0.34 0.00 -0.01 0.00 0.00 54.79 51.21 3a46 n ASP 144 Cb 0.29 -0.60 -0.06 0.00 -1.03 0.00 0.00 41.12 39.73 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 -3.39 4.93 -0.84 2.12 1.01 -1.26 -5.03 121.20 118.74 3a46 s ILE 145 Ca 0.44 0.63 -0.15 0.00 0.00 0.00 0.00 60.65 61.57 3a46 s ILE 145 Cb 0.28 -3.68 0.20 0.00 0.01 0.00 0.00 42.46 39.28 3a46 s ILE 145 CO -0.11 0.15 0.83 -0.62 0.00 0.00 0.00 174.94 175.19 3a46 s ASP 146 N -1.94 6.73 0.00 3.58 2.15 -1.26 -4.84 116.67 121.09 3a46 s ASP 146 Ca 0.40 -2.56 0.30 0.00 0.43 0.00 0.00 52.55 51.12 3a46 s ASP 146 Cb -0.14 -2.24 1.41 0.00 -0.30 0.00 0.00 42.92 41.66 3a46 s ASP 146 CO 0.20 -0.67 1.98 2.30 -0.17 0.00 0.00 175.17 178.81 3a46 n ILE 147 N 4.26 0.00 0.18 4.11 -5.35 -1.26 -3.30 119.36 118.01 3a46 n ILE 147 Ca 0.15 -0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.72 3a46 n ILE 147 Cb 0.47 -0.33 0.62 0.00 -1.74 0.00 0.00 39.64 38.66 3a46 n ILE 147 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3a46 h SER 148 N 0.23 0.00 0.26 7.28 4.64 -1.95 0.10 113.55 124.12 3a46 h SER 148 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a46 h SER 148 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3a46 h SER 148 CO 0.00 0.00 0.00 1.17 -0.87 0.00 0.00 176.83 177.13 3a46 n LYS 149 N -2.30 0.16 -0.36 4.77 4.81 -1.21 -2.18 118.16 121.85 3a46 n LYS 149 Ca -0.01 0.57 0.06 0.00 -0.87 0.00 0.00 58.31 58.05 3a46 n LYS 149 Cb 0.05 -1.94 0.23 0.00 0.02 0.00 0.00 35.03 33.39 3a46 n LYS 149 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3a46 h ILE 150 N 0.00 0.96 -0.01 3.15 1.08 -1.08 -1.93 117.51 119.68 3a46 h ILE 150 Ca 0.00 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 3a46 h ILE 150 Cb 0.13 -0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 33.71 3a46 h ILE 150 CO 0.00 0.19 0.03 0.11 -0.69 0.00 0.00 178.15 177.79 3a46 h LYS 151 N 1.04 0.00 0.00 2.37 1.57 -1.47 -2.23 116.57 117.84 3a46 h LYS 151 Ca 0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 3a46 h LYS 151 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3a46 h LYS 151 CO -0.24 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.27 3a46 n LYS 152 N -3.51 0.09 -4.02 3.15 4.76 -0.72 -3.65 118.16 114.26 3a46 n LYS 152 Ca -0.03 0.18 -0.35 0.00 -2.87 0.00 0.00 58.31 55.25 3a46 n LYS 152 Cb 0.11 -1.63 -0.12 0.00 -1.84 0.00 0.00 35.03 31.54 3a46 n LYS 152 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3a46 s TYR 153 N -3.08 3.08 -1.13 2.13 2.02 -0.84 -4.94 117.35 114.59 3a46 s TYR 153 Ca 0.10 -0.36 -0.06 0.00 -0.37 0.00 0.00 57.07 56.37 3a46 s TYR 153 Cb 0.13 -2.11 0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3a46 s TYR 153 CO 0.46 -0.20 2.70 1.63 -1.57 0.00 0.00 175.55 178.57 3a46 n LYS 154 N 4.25 3.78 -4.10 -0.62 4.01 -1.26 -1.13 118.16 123.09 3a46 n LYS 154 Ca -0.17 -2.75 -0.10 0.00 -0.51 0.00 0.00 58.31 54.78 3a46 n LYS 154 Cb 0.52 -2.53 -0.10 0.00 -0.51 0.00 0.00 35.03 32.40 3a46 n LYS 154 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3a46 s GLN 155 N -0.28 0.64 0.15 1.97 -0.21 -1.26 -4.93 119.66 115.74 3a46 s GLN 155 Ca 0.60 -1.08 -0.34 0.00 0.02 0.00 0.00 55.36 54.56 3a46 s GLN 155 Cb 0.23 -0.07 -0.14 0.00 1.00 0.00 0.00 33.01 34.03 3a46 s GLN 155 CO -0.10 -0.03 1.59 -2.30 -2.12 0.00 0.00 175.29 172.33 3a46 n PRO 156 N 0.54 2.15 -0.33 2.91 -0.02 -1.26 -0.87 135.00 138.12 3a46 n PRO 156 Ca -0.16 0.78 0.20 0.00 -2.02 0.00 0.00 63.50 62.30 3a46 n PRO 156 Cb 0.59 -2.55 0.46 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.71 0.55 -0.26 4.25 6.09 -0.44 0.31 117.51 131.72 3a46 h ILE 157 Ca -0.45 -0.16 -0.05 0.00 -1.37 0.00 0.00 64.86 62.83 3a46 h ILE 157 Cb 1.25 0.03 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 3a46 h ILE 157 CO 0.89 0.09 -0.05 1.62 -3.07 0.00 0.00 178.15 177.63 3a46 h VAL 158 N 0.48 1.19 -0.17 2.19 3.04 -1.79 -1.97 116.25 119.21 3a46 h VAL 158 Ca 0.60 -0.77 -0.08 0.00 -1.01 0.00 0.00 66.70 65.45 3a46 h VAL 158 Cb 1.37 1.05 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3a46 h VAL 158 CO -0.35 0.25 -0.19 0.00 -1.01 0.00 0.00 177.57 176.28 3a46 h ALA 159 N 1.57 0.25 -0.54 3.17 0.00 -0.68 -2.06 119.26 120.96 3a46 h ALA 159 Ca 0.08 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3a46 h ALA 159 Cb 0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3a46 h ALA 159 CO 0.01 0.17 0.33 -0.07 0.00 0.00 0.00 179.25 179.70 3a46 h LEU 160 N 0.06 0.63 -0.05 0.00 3.38 -1.15 -1.59 115.31 116.60 3a46 h LEU 160 Ca 0.02 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3a46 h LEU 160 Cb 0.74 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3a46 h LEU 160 CO 0.05 0.48 -0.78 -0.07 0.09 0.00 0.00 178.44 178.21 3a46 h LEU 161 N 0.74 0.00 -0.44 1.67 3.38 -1.34 -3.18 115.31 116.13 3a46 h LEU 161 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 3a46 h LEU 161 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3a46 h LEU 161 CO -0.04 0.78 -0.44 0.24 0.09 0.00 0.00 178.44 179.07 3a46 h MET 162 N 0.00 0.00 -6.94 1.13 2.86 -0.82 -3.42 114.93 107.74 3a46 h MET 162 Ca -0.01 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.10 3a46 h MET 162 Cb 1.58 0.00 0.09 0.00 0.06 0.00 0.00 31.60 33.33 3a46 h MET 162 CO 0.10 0.44 0.69 0.34 1.06 0.00 0.00 176.91 179.54 3a46 s ASP 163 N -6.42 6.36 0.00 1.22 -1.08 -0.65 -4.91 116.67 111.19 3a46 s ASP 163 Ca 0.02 2.83 0.23 0.00 -0.52 0.00 0.00 52.55 55.11 3a46 s ASP 163 Cb 0.09 -2.65 0.51 0.00 -1.46 0.00 0.00 42.92 39.41 3a46 s ASP 163 CO 0.71 -0.83 1.44 0.00 0.52 0.00 0.00 175.17 177.01 3a46 n GLN 164 N 0.35 2.25 0.00 4.34 1.13 -1.26 -4.58 117.38 119.61 3a46 n GLN 164 Ca 0.02 -1.87 0.00 0.00 -1.94 0.00 0.00 57.00 53.21 3a46 n GLN 164 Cb 0.41 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.29 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 1.11 0.00 -0.10 -1.09 3.00 -1.26 -0.74 118.16 119.08 3a46 n LYS 165 Ca 0.18 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.40 3a46 n LYS 165 Cb 0.52 -0.55 -0.03 0.00 0.00 0.00 0.00 35.03 34.97 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 0.00 -0.29 0.00 1.64 1.57 -1.87 -3.35 116.57 114.27 3a46 h LYS 166 Ca 0.00 0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.56 3a46 h LYS 166 Cb 0.71 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 3a46 h LYS 166 CO 0.00 -0.20 -1.78 -0.89 -0.57 0.00 0.00 179.45 176.02 3a46 n ILE 167 N -5.42 0.81 -3.80 1.86 2.08 -1.26 -5.01 119.36 108.62 3a46 n ILE 167 Ca -0.00 -0.19 -0.04 0.00 0.56 0.00 0.00 62.75 63.08 3a46 n ILE 167 Cb 0.34 -1.70 -0.00 0.00 -0.75 0.00 0.00 39.64 37.52 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 -5.25 -0.09 0.25 7.39 0.00 -1.26 -4.37 107.32 103.99 3a46 s GLY 168 Ca -0.20 -0.09 0.11 0.00 0.00 0.00 0.00 44.72 44.54 3a46 s GLY 168 CO 0.25 0.46 -0.16 -1.35 0.00 0.00 0.00 173.10 172.30 3a46 s SER 169 N -3.05 3.80 0.00 1.64 1.04 0.67 -4.08 113.70 113.72 3a46 s SER 169 Ca 0.14 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3a46 s SER 169 Cb -0.02 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.66 3a46 s SER 169 CO 0.04 0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3a46 n GLY 170 N -0.45 1.62 3.74 7.32 0.00 -1.26 -1.59 105.19 114.57 3a46 n GLY 170 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 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 4.53 0.00 0.99 1.43 -1.26 0.58 118.68 124.95 3a46 s LEU 171 Ca 0.00 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3a46 s LEU 171 Cb 0.00 -3.50 -0.00 0.00 0.03 0.00 0.00 46.19 42.72 3a46 s LEU 171 CO 0.00 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.22 3a46 n GLY 172 N 2.04 4.13 0.34 -3.19 0.00 -1.26 -4.72 105.19 102.54 3a46 n GLY 172 Ca -0.00 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 43.97 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 0.06 0.81 0.40 1.61 -1.24 -1.96 -1.77 115.58 113.49 3a46 h ASN 173 Ca -0.02 0.06 -0.30 0.00 0.71 0.00 0.00 56.30 56.75 3a46 h ASN 173 Cb 0.06 -0.10 0.02 0.00 0.73 0.00 0.00 38.32 39.04 3a46 h ASN 173 CO 0.03 0.41 -1.33 0.10 -1.29 0.00 0.00 177.43 175.35 3a46 h TYR 174 N 0.88 0.77 -0.60 0.67 -0.00 -1.97 -3.22 116.97 113.50 3a46 h TYR 174 Ca 0.48 -0.55 -0.05 0.00 -0.00 0.00 0.00 58.73 58.62 3a46 h TYR 174 Cb 0.53 -0.04 -0.03 0.00 -0.00 0.00 0.00 36.73 37.20 3a46 h TYR 174 CO -0.03 1.42 0.20 -0.07 -0.00 0.00 0.00 178.16 179.67 3a46 h LEU 175 N 0.14 0.87 -0.65 0.10 3.38 -1.89 -2.49 115.31 114.77 3a46 h LEU 175 Ca -0.19 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 3a46 h LEU 175 Cb 2.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.53 3a46 h LEU 175 CO 0.24 0.84 -0.03 0.58 0.09 0.00 0.00 178.44 180.16 3a46 h VAL 176 N 0.86 1.26 -0.55 1.22 2.07 -1.45 -0.42 116.25 119.24 3a46 h VAL 176 Ca 0.20 -1.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3a46 h VAL 176 Cb 0.28 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3a46 h VAL 176 CO -0.01 0.42 0.30 0.00 0.02 0.00 0.00 177.57 178.31 3a46 h ALA 177 N 1.02 0.70 -0.42 1.67 0.00 -1.54 -1.17 119.26 119.53 3a46 h ALA 177 Ca 0.16 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3a46 h ALA 177 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3a46 h ALA 177 CO 0.03 0.22 -0.29 0.93 0.00 0.00 0.00 179.25 180.14 3a46 h GLU 178 N 0.74 0.91 -0.47 0.00 4.39 -1.27 -2.67 114.58 116.21 3a46 h GLU 178 Ca 0.19 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.39 3a46 h GLU 178 Cb 0.04 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3a46 h GLU 178 CO -0.03 1.08 -0.02 0.82 -1.16 0.00 0.00 179.01 179.69 3a46 h ILE 179 N 0.77 1.26 -0.05 3.13 2.04 -0.86 -2.12 117.51 121.69 3a46 h ILE 179 Ca 0.09 -1.10 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 3a46 h ILE 179 Cb 0.86 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3a46 h ILE 179 CO 0.08 0.38 -0.47 -0.07 0.00 0.00 0.00 178.15 178.06 3a46 h LEU 180 N 0.70 0.14 -0.22 1.44 3.38 -1.22 -0.60 115.31 118.93 3a46 h LEU 180 Ca 0.13 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3a46 h LEU 180 Cb 0.54 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3a46 h LEU 180 CO 0.03 0.60 -0.15 0.22 0.09 0.00 0.00 178.44 179.22 3a46 h TYR 181 N 0.11 0.58 -0.82 1.13 3.20 -1.38 0.15 116.97 119.94 3a46 h TYR 181 Ca 0.00 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.68 3a46 h TYR 181 Cb 0.88 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 3a46 h TYR 181 CO 0.01 0.80 0.36 0.00 -1.64 0.00 0.00 178.16 177.69 3a46 h ARG 182 N 0.19 1.20 -0.00 1.82 2.47 -1.22 -1.42 114.38 117.42 3a46 h ARG 182 Ca 0.04 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3a46 h ARG 182 Cb 0.68 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 3a46 h ARG 182 CO 0.04 0.95 -0.01 0.00 0.56 0.00 0.00 179.97 181.51 3a46 n ALA 183 N -2.43 2.40 -3.46 0.04 0.00 -0.25 -4.92 120.51 111.89 3a46 n ALA 183 Ca 0.08 -0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.19 3a46 n ALA 183 Cb 0.17 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.43 -7.03 -4.79 0.00 5.02 0.13 -4.93 118.16 105.12 3a46 n LYS 184 Ca 0.09 0.74 -0.33 0.00 -2.02 0.00 0.00 58.31 56.80 3a46 n LYS 184 Cb 0.31 -5.53 -0.14 0.00 -0.02 0.00 0.00 35.03 29.65 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 -3.29 3.03 0.23 -0.18 1.01 0.28 -3.19 121.20 119.09 3a46 s ILE 185 Ca 0.47 -0.67 -0.31 0.00 0.00 0.00 0.00 60.65 60.14 3a46 s ILE 185 Cb -0.21 -2.27 -0.11 0.00 0.01 0.00 0.00 42.46 39.88 3a46 s ILE 185 CO 0.65 0.53 1.61 -0.62 0.00 0.00 0.00 174.94 177.11 3a46 s ASP 186 N 0.32 6.46 0.37 3.58 -1.08 -0.83 -4.62 116.67 120.87 3a46 s ASP 186 Ca -0.11 2.81 0.06 0.00 -0.52 0.00 0.00 52.55 54.79 3a46 s ASP 186 Cb -0.16 -2.61 0.75 0.00 -1.46 0.00 0.00 42.92 39.44 3a46 s ASP 186 CO 0.06 -0.88 1.99 -0.65 0.52 0.00 0.00 175.17 176.20 3a46 h PRO 187 N 5.98 0.71 0.00 4.34 0.11 -1.92 -2.07 132.00 139.14 3a46 h PRO 187 Ca -0.44 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 3a46 h PRO 187 Cb 1.21 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3a46 h PRO 187 CO 0.87 0.47 -0.05 0.45 -0.21 0.00 0.00 178.00 179.54 3a46 h HIS 188 N 0.73 0.00 -2.20 0.65 3.86 -1.95 -2.98 115.15 113.27 3a46 h HIS 188 Ca 0.26 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.89 3a46 h HIS 188 Cb 0.13 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.63 3a46 h HIS 188 CO -0.00 0.05 1.09 1.17 0.86 0.00 0.00 177.93 181.09 3a46 n LYS 189 N -3.18 2.41 -2.06 2.45 4.81 -0.78 -4.43 118.16 117.37 3a46 n LYS 189 Ca -0.00 0.88 -0.40 0.00 -0.87 0.00 0.00 58.31 57.92 3a46 n LYS 189 Cb 0.30 -2.75 -0.01 0.00 0.02 0.00 0.00 35.03 32.59 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 3.53 4.32 0.42 3.14 1.02 -1.26 -0.08 118.68 129.77 3a46 s LEU 190 Ca 0.89 2.70 0.08 0.00 0.02 0.00 0.00 54.13 57.82 3a46 s LEU 190 Cb -0.61 -3.76 0.90 0.00 0.02 0.00 0.00 46.19 42.74 3a46 s LEU 190 CO 0.46 -0.70 2.07 1.23 0.02 0.00 0.00 176.35 179.42 3a46 h GLY 191 N 3.03 0.53 2.00 -3.19 0.00 -0.91 -1.00 103.07 103.53 3a46 h GLY 191 Ca -0.49 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3a46 h GLY 191 CO 0.64 0.19 0.00 -1.14 0.00 0.00 0.00 176.54 176.23 3a46 n SER 192 N -4.48 0.61 -0.87 0.19 3.41 -0.28 -2.35 113.62 109.85 3a46 n SER 192 Ca 0.03 0.67 0.11 0.00 -0.26 0.00 0.00 58.87 59.41 3a46 n SER 192 Cb 0.07 -0.79 0.09 0.00 -0.26 0.00 0.00 64.21 63.32 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 -2.20 2.81 -4.73 4.04 3.02 -0.39 -4.94 115.26 112.88 3a46 n ASN 193 Ca 0.02 -1.90 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 3a46 n ASN 193 Cb 0.20 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.80 4.49 0.75 3.41 1.43 -0.99 -5.00 118.68 120.97 3a46 s LEU 194 Ca 0.25 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 3a46 s LEU 194 Cb 0.18 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.85 3a46 s LEU 194 CO 0.27 -0.17 1.09 0.42 0.23 0.00 0.00 176.35 178.19 3a46 s THR 195 N -0.08 3.34 0.32 5.49 -4.23 -1.26 -4.86 115.64 114.35 3a46 s THR 195 Ca 0.49 0.43 0.22 0.00 -1.18 0.00 0.00 61.69 61.65 3a46 s THR 195 Cb -0.27 -3.28 0.21 0.00 1.34 0.00 0.00 72.50 70.50 3a46 s THR 195 CO 0.33 -0.57 1.92 0.44 -0.54 0.00 0.00 174.62 176.19 3a46 h ASP 196 N -0.88 0.00 -0.30 3.99 3.32 -1.99 -0.42 116.42 120.15 3a46 h ASP 196 Ca -0.46 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.45 3a46 h ASP 196 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 3a46 h ASP 196 CO 0.61 0.24 -0.38 -0.61 -1.72 0.00 0.00 179.24 177.38 3a46 h GLN 197 N 0.00 0.78 -0.39 3.56 -0.00 -2.00 -2.26 115.11 114.80 3a46 h GLN 197 Ca -0.00 -0.44 -0.13 0.00 -0.00 0.00 0.00 58.65 58.08 3a46 h GLN 197 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 3a46 h GLN 197 CO 0.03 1.07 -0.27 0.93 0.00 0.00 0.00 178.83 180.59 3a46 h GLU 198 N 0.54 0.81 0.20 1.69 5.08 -1.76 -2.52 114.58 118.62 3a46 h GLU 198 Ca 0.04 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 3a46 h GLU 198 Cb 0.97 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 3a46 h GLU 198 CO 0.09 0.99 -0.12 0.82 -1.00 0.00 0.00 179.01 179.78 3a46 h ILE 199 N 0.69 0.74 0.00 3.13 1.08 -0.98 0.24 117.51 122.42 3a46 h ILE 199 Ca 0.08 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.52 3a46 h ILE 199 Cb 0.81 0.74 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 3a46 h ILE 199 CO 0.07 0.00 -0.17 1.05 -0.69 0.00 0.00 178.15 178.40 3a46 h GLU 200 N -0.31 0.00 -0.11 2.37 4.11 -1.41 -0.94 114.58 118.29 3a46 h GLU 200 Ca -0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.29 3a46 h GLU 200 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3a46 h GLU 200 CO 0.02 0.17 -0.40 -0.97 0.07 0.00 0.00 179.01 177.91 3a46 h ASN 201 N 0.00 0.53 -0.40 3.06 -1.24 -0.94 -2.40 115.58 114.20 3a46 h ASN 201 Ca -0.00 -0.62 -0.00 0.00 0.71 0.00 0.00 56.30 56.39 3a46 h ASN 201 Cb 0.37 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 3a46 h ASN 201 CO 0.02 1.06 0.25 0.25 -1.29 0.00 0.00 177.43 177.72 3a46 h LEU 202 N 0.03 0.47 -0.71 0.34 5.85 -0.04 -2.14 115.31 119.10 3a46 h LEU 202 Ca -0.02 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.72 3a46 h LEU 202 Cb 1.03 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3a46 h LEU 202 CO 0.08 0.37 0.41 -0.25 -0.34 0.00 0.00 178.44 178.71 3a46 h TRP 203 N 0.53 0.75 -0.32 1.25 -0.00 -1.20 0.11 115.95 117.07 3a46 h TRP 203 Ca 0.14 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 59.11 3a46 h TRP 203 Cb -0.02 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 28.86 3a46 h TRP 203 CO -0.04 0.36 0.03 -0.92 -0.00 0.00 0.00 178.44 177.88 3a46 h TYR 204 N 0.75 0.04 0.00 2.65 3.20 -0.88 -2.54 116.97 120.20 3a46 h TYR 204 Ca 0.32 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.10 3a46 h TYR 204 Cb 0.19 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3a46 h TYR 204 CO -0.07 -0.02 -0.50 -1.49 -1.64 0.00 0.00 178.16 174.44 3a46 h TRP 205 N 0.13 0.00 -0.24 -3.82 4.06 -0.69 -1.58 115.95 113.82 3a46 h TRP 205 Ca 0.15 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.10 3a46 h TRP 205 Cb 0.19 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 3a46 h TRP 205 CO -0.20 0.50 0.13 0.82 -3.56 0.00 0.00 178.44 176.13 3a46 h ILE 206 N 0.00 1.12 -0.28 1.49 2.04 -0.67 0.65 117.51 121.85 3a46 h ILE 206 Ca -0.01 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 3a46 h ILE 206 Cb 0.97 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3a46 h ILE 206 CO 0.07 0.11 0.10 0.11 0.00 0.00 0.00 178.15 178.54 3a46 h LYS 207 N 0.27 0.43 -0.04 2.37 1.57 -1.32 -1.02 116.57 118.82 3a46 h LYS 207 Ca 0.08 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3a46 h LYS 207 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3a46 h LYS 207 CO -0.01 0.47 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.39 3a46 h TYR 208 N 0.30 -0.08 -0.39 -1.35 3.20 -1.09 -1.39 116.97 116.17 3a46 h TYR 208 Ca 0.09 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3a46 h TYR 208 Cb 0.21 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3a46 h TYR 208 CO -0.00 -0.05 -0.17 0.93 -1.64 0.00 0.00 178.16 177.22 3a46 h GLU 209 N -0.04 0.81 -0.55 1.82 4.39 -0.82 -1.08 114.58 119.11 3a46 h GLU 209 Ca 0.03 -0.35 -0.08 0.00 0.34 0.00 0.00 59.36 59.31 3a46 h GLU 209 Cb 0.08 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3a46 h GLU 209 CO -0.07 0.98 0.04 1.79 -1.16 0.00 0.00 179.01 180.59 3a46 h THR 210 N 0.62 1.26 -0.44 1.13 1.35 -1.15 -0.74 112.91 114.93 3a46 h THR 210 Ca 0.09 -1.04 -0.11 0.00 -0.55 0.00 0.00 66.41 64.79 3a46 h THR 210 Cb 0.72 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 3a46 h THR 210 CO 0.05 0.37 -0.18 0.50 -0.25 0.00 0.00 175.52 176.02 3a46 h LYS 211 N 0.82 0.86 -0.47 4.72 3.64 -1.23 0.47 116.57 125.38 3a46 h LYS 211 Ca 0.16 -0.33 -0.08 0.00 -1.27 0.00 0.00 60.65 59.13 3a46 h LYS 211 Cb 0.48 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 3a46 h LYS 211 CO 0.02 0.97 -0.02 1.25 -2.27 0.00 0.00 179.45 179.40 3a46 h LEU 212 N 0.75 0.83 -0.41 5.20 5.85 -1.02 -1.07 115.31 125.44 3a46 h LEU 212 Ca 0.11 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 3a46 h LEU 212 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3a46 h LEU 212 CO 0.05 0.95 0.16 0.00 -0.34 0.00 0.00 178.44 179.26 3a46 h ALA 213 N 0.91 0.53 -0.66 1.25 0.00 -0.89 -2.22 119.26 118.18 3a46 h ALA 213 Ca 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3a46 h ALA 213 Cb 0.53 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3a46 h ALA 213 CO 0.03 0.13 0.35 -0.92 0.00 0.00 0.00 179.25 178.83 3a46 h TYR 214 N 0.51 0.92 0.00 0.00 3.20 -0.78 -2.36 116.97 118.47 3a46 h TYR 214 Ca 0.14 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3a46 h TYR 214 Cb 0.18 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.16 3a46 h TYR 214 CO -0.00 0.67 0.00 -0.25 -1.64 0.00 0.00 178.16 176.94 3a46 n ASP 215 N -4.51 0.57 -4.77 -2.11 8.00 -0.42 -4.84 116.55 108.48 3a46 n ASP 215 Ca 0.05 0.63 -0.32 0.00 0.71 0.00 0.00 54.79 55.86 3a46 n ASP 215 Cb 0.10 -0.75 0.07 0.00 -0.02 0.00 0.00 41.12 40.52 3a46 n ASP 215 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a46 s SER 216 N -4.06 4.73 -0.01 -2.24 0.01 -0.86 -4.99 113.70 106.29 3a46 s SER 216 Ca 0.06 1.93 0.10 0.00 1.31 0.00 0.00 55.95 59.35 3a46 s SER 216 Cb 0.10 -2.54 -0.13 0.00 0.21 0.00 0.00 66.02 63.66 3a46 s SER 216 CO 0.40 -1.88 0.35 0.59 0.41 0.00 0.00 173.24 173.10 3a46 n ASN 217 N -3.01 1.35 -2.75 2.44 3.02 -1.26 -4.86 115.26 110.19 3a46 n ASN 217 Ca 0.10 -0.44 -0.09 0.00 -0.03 0.00 0.00 54.58 54.12 3a46 n ASN 217 Cb 0.52 1.20 0.07 0.00 -0.61 0.00 0.00 39.78 40.96 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 -1.49 -2.98 0.14 3.10 1.44 -1.26 -4.71 115.22 109.46 3a46 n HIS 218 Ca 0.00 -2.03 -0.01 0.00 -2.01 0.00 0.00 57.72 53.67 3a46 n HIS 218 Cb 0.20 1.55 0.18 0.00 0.12 0.00 0.00 29.99 32.05 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 1.43 0.00 0.61 2.04 -1.91 -3.48 117.51 119.15 3a46 h ILE 219 Ca -0.11 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 63.67 3a46 h ILE 219 Cb 1.07 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 3a46 h ILE 219 CO 0.22 0.59 0.00 0.61 0.00 0.00 0.00 178.15 179.57 3a46 n GLY 220 N 0.21 1.17 1.04 5.37 0.00 -1.26 -5.02 105.19 106.71 3a46 n GLY 220 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.01 0.93 -2.77 1.61 4.02 -1.26 -4.44 117.16 115.24 3a46 n TYR 221 Ca 0.00 -0.63 -0.09 0.00 -0.01 0.00 0.00 57.90 57.17 3a46 n TYR 221 Cb 0.00 -0.16 0.07 0.00 -0.02 0.00 0.00 39.34 39.23 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 0.52 1.10 0.23 -0.72 0.00 -1.26 -4.20 117.12 112.79 3a46 n MET 222 Ca 0.19 -2.32 0.06 0.00 0.00 0.00 0.00 57.70 55.63 3a46 n MET 222 Cb 0.70 -0.78 0.52 0.00 0.00 0.00 0.00 33.22 33.65 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 2.34 1.08 0.00 3.17 3.04 -1.95 -2.57 116.25 121.36 3a46 h VAL 223 Ca -0.14 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 3a46 h VAL 223 Cb 1.17 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.79 3a46 h VAL 223 CO 0.17 0.18 0.00 0.59 -1.01 0.00 0.00 177.57 177.49 3a46 n ASN 224 N -4.26 0.00 -0.17 3.17 5.03 -1.26 -2.72 115.26 115.06 3a46 n ASN 224 Ca -0.02 0.37 0.04 0.00 0.87 0.00 0.00 54.58 55.84 3a46 n ASN 224 Cb 0.24 -0.43 0.06 0.00 -1.02 0.00 0.00 39.78 38.63 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 -1.43 1.34 -0.03 3.41 4.77 -0.97 -4.55 117.00 119.53 3a46 n LEU 225 Ca 0.04 -1.92 0.02 0.00 -0.03 0.00 0.00 56.01 54.12 3a46 n LEU 225 Cb 0.14 -0.18 0.36 0.00 -2.33 0.00 0.00 43.42 41.41 3a46 n LEU 225 CO 0.11 0.45 1.10 -0.33 -1.33 0.00 0.00 177.39 177.40 3a46 h GLU 226 N 0.00 0.61 -0.50 3.23 5.08 -1.47 0.18 114.58 121.71 3a46 h GLU 226 Ca 0.00 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3a46 h GLU 226 Cb 1.02 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 3a46 h GLU 226 CO 0.00 0.47 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.51 3a46 h ASN 227 N 0.61 0.91 -0.02 1.42 2.35 -1.87 -2.93 115.58 116.05 3a46 h ASN 227 Ca 0.16 -0.33 -0.11 0.00 -0.55 0.00 0.00 56.30 55.46 3a46 h ASN 227 Cb 0.05 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3a46 h ASN 227 CO -0.02 1.03 -0.31 -0.33 -1.65 0.00 0.00 177.43 176.14 3a46 h GLU 228 N 0.78 0.48 -0.82 0.81 4.39 -1.69 -3.13 114.58 115.39 3a46 h GLU 228 Ca 0.13 -0.20 0.13 0.00 0.34 0.00 0.00 59.36 59.76 3a46 h GLU 228 Cb 0.60 -0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.15 3a46 h GLU 228 CO 0.04 0.74 0.43 0.77 -1.16 0.00 0.00 179.01 179.83 3a46 h SER 229 N 0.41 0.54 0.23 1.42 0.02 -0.49 -0.84 113.55 114.85 3a46 h SER 229 Ca 0.05 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3a46 h SER 229 Cb 0.76 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3a46 h SER 229 CO 0.06 0.26 -0.03 -1.54 -1.14 0.00 0.00 176.83 174.44 3a46 n SER 230 N -4.84 0.30 -0.71 3.07 3.41 -1.19 -3.34 113.62 110.32 3a46 n SER 230 Ca 0.15 -0.74 0.06 0.00 -0.26 0.00 0.00 58.87 58.08 3a46 n SER 230 Cb 0.37 -0.08 0.17 0.00 -0.26 0.00 0.00 64.21 64.41 3a46 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a46 n LYS 231 N -0.92 2.81 -4.14 4.33 5.02 -0.34 -4.96 118.16 119.95 3a46 n LYS 231 Ca 0.19 -2.09 -0.17 0.00 -2.02 0.00 0.00 58.31 54.21 3a46 n LYS 231 Cb 0.21 -1.30 -0.12 0.00 -0.02 0.00 0.00 35.03 33.81 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 -1.00 0.96 0.00 -0.18 2.07 -1.11 -5.08 121.20 116.86 3a46 s ILE 232 Ca 0.26 -1.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.24 3a46 s ILE 232 Cb 0.13 -0.96 0.00 0.00 0.13 0.00 0.00 42.46 41.76 3a46 s ILE 232 CO 0.18 -0.27 0.00 0.61 -1.91 0.00 0.00 174.94 173.54 3a46 n GLY 233 N 1.31 -0.97 2.83 1.50 0.00 -1.26 -4.95 105.19 103.65 3a46 n GLY 233 Ca -0.21 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.15 -0.01 0.50 1.61 1.81 -1.26 -5.09 118.95 116.36 3a46 s ARG 234 Ca 0.00 0.08 -0.22 0.00 -1.72 0.00 0.00 55.73 53.87 3a46 s ARG 234 Cb 0.00 -0.10 -0.06 0.00 -0.45 0.00 0.00 34.95 34.34 3a46 s ARG 234 CO 0.00 -0.07 1.22 0.15 -0.68 0.00 0.00 175.30 175.92 3a46 s LYS 235 N 0.43 3.50 -1.36 3.54 -0.14 -1.26 -4.89 119.74 119.57 3a46 s LYS 235 Ca -0.04 1.90 -0.13 0.00 -1.36 0.00 0.00 55.97 56.35 3a46 s LYS 235 Cb -0.05 -2.31 0.10 0.00 -1.68 0.00 0.00 37.83 33.89 3a46 s LYS 235 CO -0.01 -0.80 1.99 -1.71 -0.76 0.00 0.00 175.35 174.06 3a46 n ASN 236 N -0.77 4.53 -4.81 2.83 5.15 -1.26 -4.97 115.26 115.97 3a46 n ASN 236 Ca 0.09 -2.96 -0.33 0.00 -0.60 0.00 0.00 54.58 50.78 3a46 n ASN 236 Cb 0.47 -1.59 -0.02 0.00 -0.53 0.00 0.00 39.78 38.11 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 2.11 3.10 -1.06 1.20 2.02 -1.26 -3.64 117.35 119.81 3a46 s TYR 237 Ca 0.45 1.54 -0.20 0.00 -0.37 0.00 0.00 57.07 58.48 3a46 s TYR 237 Cb 0.10 -2.98 0.02 0.00 -0.40 0.00 0.00 41.96 38.70 3a46 s TYR 237 CO -0.03 -0.79 0.69 0.72 -1.57 0.00 0.00 175.55 174.57 3a46 n HIS 238 N -1.43 -1.77 -0.34 2.71 8.25 -1.26 -4.79 115.22 116.59 3a46 n HIS 238 Ca 0.08 0.42 0.21 0.00 -0.26 0.00 0.00 57.72 58.17 3a46 n HIS 238 Cb 0.53 -3.00 0.44 0.00 1.12 0.00 0.00 29.99 29.09 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 -1.66 0.46 -0.00 -0.41 0.11 -1.99 -1.84 132.00 126.67 3a46 h PRO 239 Ca -0.64 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.44 3a46 h PRO 239 Cb 1.37 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3a46 h PRO 239 CO 0.46 0.31 -0.04 0.09 -0.21 0.00 0.00 178.00 178.60 3a46 n ASN 240 N -4.82 0.14 -4.70 -2.05 5.03 -1.26 -4.81 115.26 102.78 3a46 n ASN 240 Ca 0.27 -0.28 -0.35 0.00 0.87 0.00 0.00 54.58 55.09 3a46 n ASN 240 Cb 0.84 -0.21 -0.08 0.00 -1.02 0.00 0.00 39.78 39.31 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 -2.54 5.23 -0.32 2.41 -1.09 -0.69 -5.07 121.20 119.12 3a46 s ILE 241 Ca 0.29 0.12 0.01 0.00 -2.23 0.00 0.00 60.65 58.84 3a46 s ILE 241 Cb 0.20 -3.38 0.10 0.00 -1.58 0.00 0.00 42.46 37.81 3a46 s ILE 241 CO 0.47 0.45 0.08 -1.00 -1.23 0.00 0.00 174.94 173.71 3a46 s HIS 242 N 0.33 2.31 0.26 3.97 3.76 -1.26 -5.00 115.29 119.67 3a46 s HIS 242 Ca 0.07 -2.09 -0.30 0.00 -0.15 0.00 0.00 55.06 52.59 3a46 s HIS 242 Cb -0.11 -2.05 -0.10 0.00 1.11 0.00 0.00 32.58 31.43 3a46 s HIS 242 CO -0.01 -0.89 1.33 -2.14 -0.85 0.00 0.00 174.74 172.17 3a46 s PRO 243 N 1.41 4.36 0.04 8.40 0.02 -1.26 -4.95 135.00 143.01 3a46 s PRO 243 Ca 0.10 2.16 -0.19 0.00 0.02 0.00 0.00 61.00 63.09 3a46 s PRO 243 Cb -0.18 -3.13 -0.18 0.00 0.02 0.00 0.00 34.50 31.04 3a46 s PRO 243 CO -0.20 -0.24 1.24 1.79 -0.33 0.00 0.00 177.00 179.26 3a46 h THR 244 N 3.40 1.38 -4.02 0.99 1.35 -1.99 -3.45 112.91 110.56 3a46 h THR 244 Ca -0.47 -1.75 -0.51 0.00 -0.55 0.00 0.00 66.41 63.14 3a46 h THR 244 Cb 1.22 2.18 0.07 0.00 -1.73 0.00 0.00 68.15 69.88 3a46 h THR 244 CO 0.72 0.52 0.48 -1.83 -0.25 0.00 0.00 175.52 175.16 3a46 s GLU 245 N -3.74 3.66 0.01 4.72 1.03 -1.26 -4.94 118.70 118.17 3a46 s GLU 245 Ca -0.13 1.75 0.25 0.00 0.03 0.00 0.00 54.97 56.87 3a46 s GLU 245 Cb 0.05 -2.32 0.54 0.00 -0.80 0.00 0.00 34.13 31.61 3a46 s GLU 245 CO 0.81 -0.63 1.44 0.36 -1.33 0.00 0.00 175.26 175.91 3a46 n LYS 246 N -0.67 0.02 -3.75 -4.83 2.85 -1.26 -4.86 118.16 105.66 3a46 n LYS 246 Ca 0.08 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.22 3a46 n LYS 246 Cb 0.49 -1.51 -0.11 0.00 -0.65 0.00 0.00 35.03 33.24 3a46 n LYS 246 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 3a46 s GLU 247 N -3.01 0.33 0.39 -1.58 2.56 -1.26 -4.79 118.70 111.33 3a46 s GLU 247 Ca 0.11 0.51 -0.28 0.00 0.00 0.00 0.00 54.97 55.31 3a46 s GLU 247 Cb 0.17 0.07 -0.11 0.00 2.00 0.00 0.00 34.13 36.27 3a46 s GLU 247 CO 0.69 -0.09 1.46 0.34 -0.56 0.00 0.00 175.26 177.10 3a46 n PHE 248 N 3.45 2.89 -3.87 5.30 7.35 -1.26 -5.02 117.46 126.31 3a46 n PHE 248 Ca -0.18 0.45 -0.12 0.00 -0.76 0.00 0.00 57.45 56.85 3a46 n PHE 248 Cb 0.56 -2.51 -0.14 0.00 0.35 0.00 0.00 39.48 37.74 3a46 n PHE 248 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 3a46 s ASP 249 N -0.20 -0.01 -0.39 -2.13 -0.00 -1.26 -4.92 116.67 107.76 3a46 s ASP 249 Ca 0.55 0.01 -0.29 0.00 -0.00 0.00 0.00 52.55 52.82 3a46 s ASP 249 Cb -0.48 0.02 0.02 0.00 -0.00 0.00 0.00 42.92 42.48 3a46 s ASP 249 CO 0.63 -0.01 1.13 -0.36 -0.00 0.00 0.00 175.17 176.56 3a46 s PHE 250 N -0.01 2.95 0.05 4.23 0.08 -1.26 -4.88 117.98 119.13 3a46 s PHE 250 Ca -0.00 0.94 0.04 0.00 0.12 0.00 0.00 56.93 58.03 3a46 s PHE 250 Cb -0.00 -4.07 -0.24 0.00 -0.57 0.00 0.00 43.02 38.14 3a46 s PHE 250 CO 0.00 -1.09 1.01 -0.07 -0.10 0.00 0.00 175.22 174.96 3a46 h LEU 251 N 10.72 0.17 0.00 -0.37 4.07 -1.97 -3.43 115.31 124.49 3a46 h LEU 251 Ca -0.22 -0.22 0.00 0.00 0.08 0.00 0.00 57.88 57.52 3a46 h LEU 251 Cb 1.06 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.75 3a46 h LEU 251 CO 1.08 1.18 -0.30 0.55 -1.08 0.00 0.00 178.44 179.87 3a46 n VAL 252 N -3.34 0.00 -1.65 1.22 3.14 -1.26 -4.06 118.33 112.38 3a46 n VAL 252 Ca -0.09 0.00 -0.48 0.00 -2.96 0.00 0.00 64.34 60.81 3a46 n VAL 252 Cb 1.00 -0.23 -0.05 0.00 -1.06 0.00 0.00 33.84 33.51 3a46 n VAL 252 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3a46 n TYR 253 N -1.32 2.23 -2.47 1.45 4.19 -1.26 -1.02 117.16 118.97 3a46 n TYR 253 Ca 0.00 -0.02 -0.18 0.00 3.31 0.00 0.00 57.90 61.02 3a46 n TYR 253 Cb 0.15 -2.67 0.00 0.00 0.49 0.00 0.00 39.34 37.31 3a46 n TYR 253 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 3a46 n ARG 254 N 7.10 -2.05 -4.25 2.98 0.63 -1.26 -4.93 116.66 114.88 3a46 n ARG 254 Ca 0.25 0.82 -0.28 0.00 -0.92 0.00 0.00 57.85 57.72 3a46 n ARG 254 Cb 0.31 -5.30 -0.10 0.00 0.45 0.00 0.00 32.46 27.83 3a46 n ARG 254 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3a46 s LYS 255 N -5.02 2.11 0.09 -0.14 -0.14 -0.19 -5.02 119.74 111.43 3a46 s LYS 255 Ca 0.06 -1.12 0.07 0.00 -1.36 0.00 0.00 55.97 53.63 3a46 s LYS 255 Cb -0.03 -2.25 -0.22 0.00 -1.68 0.00 0.00 37.83 33.65 3a46 s LYS 255 CO 0.08 0.48 1.15 -0.22 -0.76 0.00 0.00 175.35 176.08 3a46 h LYS 256 N 3.30 0.02 -2.57 1.68 1.63 -1.87 -3.43 116.57 115.33 3a46 h LYS 256 Ca -0.48 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.22 3a46 h LYS 256 Cb 1.18 0.01 -0.18 0.00 -0.60 0.00 0.00 32.23 32.64 3a46 h LYS 256 CO 0.53 0.92 0.02 -1.59 -3.45 0.00 0.00 179.45 175.88 3a46 s LYS 257 N -2.69 0.97 1.11 1.90 -2.85 -1.26 -1.54 119.74 115.38 3a46 s LYS 257 Ca -0.00 -0.06 -0.16 0.00 -1.00 0.00 0.00 55.97 54.74 3a46 s LYS 257 Cb 0.09 0.44 0.24 0.00 -2.06 0.00 0.00 37.83 36.55 3a46 s LYS 257 CO 0.82 -0.32 1.12 0.16 0.10 0.00 0.00 175.35 177.23 3a46 s ASP 258 N -1.57 1.70 0.57 0.03 -4.77 -0.23 -4.82 116.67 107.57 3a46 s ASP 258 Ca -0.09 0.80 0.24 0.00 -3.30 0.00 0.00 52.55 50.20 3a46 s ASP 258 Cb -0.01 -1.19 1.28 0.00 -1.09 0.00 0.00 42.92 41.91 3a46 s ASP 258 CO 0.04 -3.66 1.69 -0.65 0.70 0.00 0.00 175.17 173.29 3a46 h PRO 259 N -2.26 0.00 -0.40 2.11 0.11 -1.92 -1.56 132.00 128.09 3a46 h PRO 259 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a46 h PRO 259 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3a46 h PRO 259 CO 0.44 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.32 3a46 n ASN 260 N -2.63 4.04 0.00 -2.05 3.02 -1.26 -4.96 115.26 111.42 3a46 n ASN 260 Ca -0.02 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 51.90 3a46 n ASN 260 Cb 0.39 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 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 0.21 0.82 3.75 7.41 0.00 -0.58 -5.04 105.19 111.75 3a46 n GLY 261 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.89 7.32 0.23 1.61 -0.87 -1.26 -4.79 114.94 114.28 3a46 s ASN 262 Ca 0.00 2.13 -0.32 0.00 -1.57 0.00 0.00 52.86 53.10 3a46 s ASN 262 Cb 0.00 -2.61 -0.12 0.00 -0.02 0.00 0.00 41.25 38.49 3a46 s ASN 262 CO 0.00 -0.15 1.61 1.17 -2.57 0.00 0.00 177.10 177.17 3a46 n LYS 263 N 1.89 2.54 -3.87 -0.60 3.00 -1.26 -1.07 118.16 118.79 3a46 n LYS 263 Ca 0.01 0.91 -0.36 0.00 -0.00 0.00 0.00 58.31 58.87 3a46 n LYS 263 Cb 0.46 -2.70 -0.12 0.00 0.00 0.00 0.00 35.03 32.68 3a46 n LYS 263 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3a46 s VAL 264 N 0.58 4.48 -0.04 3.15 1.01 -0.59 -4.18 120.40 124.81 3a46 s VAL 264 Ca 0.71 -0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 3a46 s VAL 264 Cb -0.55 -3.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 3a46 s VAL 264 CO 0.41 0.38 0.41 -0.63 0.00 0.00 0.00 175.10 175.66 3a46 s ILE 265 N 1.19 5.09 -0.90 2.22 1.01 0.32 -4.78 121.20 125.35 3a46 s ILE 265 Ca 0.05 0.83 -0.10 0.00 0.00 0.00 0.00 60.65 61.43 3a46 s ILE 265 Cb -0.14 -3.72 0.23 0.00 0.01 0.00 0.00 42.46 38.83 3a46 s ILE 265 CO 0.03 0.51 0.84 0.00 0.00 0.00 0.00 174.94 176.32 3a46 s ALA 266 N -0.55 4.25 0.22 9.38 0.00 -1.26 -1.90 121.76 131.90 3a46 s ALA 266 Ca 0.23 -3.53 -0.13 0.00 0.00 0.00 0.00 51.96 48.53 3a46 s ALA 266 Cb -0.16 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 3a46 s ALA 266 CO 0.12 -2.22 0.61 0.34 0.00 0.00 0.00 175.76 174.60 3a46 s ASP 267 N 1.50 6.77 -0.84 0.00 3.68 0.05 -4.82 116.67 123.02 3a46 s ASP 267 Ca 0.23 1.10 -0.05 0.00 2.13 0.00 0.00 52.55 55.95 3a46 s ASP 267 Cb -0.11 -2.30 0.21 0.00 -1.45 0.00 0.00 42.92 39.28 3a46 s ASP 267 CO -0.08 -0.04 0.73 -0.54 0.13 0.00 0.00 175.17 175.37 3a46 s LYS 268 N -2.49 3.28 -0.22 4.34 -0.14 -1.26 0.80 119.74 124.04 3a46 s LYS 268 Ca 0.45 -2.92 -0.13 0.00 -1.36 0.00 0.00 55.97 52.02 3a46 s LYS 268 Cb -0.13 -4.07 -0.18 0.00 -1.68 0.00 0.00 37.83 31.78 3a46 s LYS 268 CO 0.20 -1.24 -0.01 -0.89 -0.76 0.00 0.00 175.35 172.65 3a46 n ILE 269 N 3.00 1.57 -3.06 2.17 5.41 -1.26 -5.00 119.36 122.20 3a46 n ILE 269 Ca 0.17 -0.35 -0.28 0.00 1.00 0.00 0.00 62.75 63.29 3a46 n ILE 269 Cb 0.39 -1.83 -0.02 0.00 -0.71 0.00 0.00 39.64 37.47 3a46 n ILE 269 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3a46 s ILE 270 N -2.47 4.96 0.21 1.39 1.01 -1.26 -5.00 121.20 120.03 3a46 s ILE 270 Ca -0.32 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3a46 s ILE 270 Cb 0.09 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.77 3a46 s ILE 270 CO 0.59 -0.55 0.00 0.61 0.00 0.00 0.00 174.94 175.60 3a46 n GLY 271 N -1.51 -1.88 0.60 6.18 0.00 -1.26 -2.85 105.19 104.46 3a46 n GLY 271 Ca -0.01 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.66 3a46 n GLY 271 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a46 n SER 272 N -3.00 -0.23 0.00 1.61 3.41 -1.26 -4.72 113.62 109.43 3a46 n SER 272 Ca -0.01 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 3a46 n SER 272 Cb 0.35 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.74 3a46 n SER 272 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a46 n GLY 273 N -0.11 1.65 1.83 5.00 0.00 -1.26 -0.73 105.19 111.57 3a46 n GLY 273 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 10.01 4.18 -0.16 1.61 4.01 -1.26 -4.30 118.16 132.26 3a46 n LYS 274 Ca 0.00 -3.11 0.07 0.00 -0.51 0.00 0.00 58.31 54.76 3a46 n LYS 274 Cb 0.00 -2.20 0.10 0.00 -0.51 0.00 0.00 35.03 32.42 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 0.15 1.77 -4.70 4.39 0.23 0.09 -5.05 115.26 112.15 3a46 n ASN 275 Ca 0.33 -2.74 -0.42 0.00 -0.53 0.00 0.00 54.58 51.21 3a46 n ASN 275 Cb 1.25 -0.34 -0.03 0.00 -2.08 0.00 0.00 39.78 38.58 3a46 n ASN 275 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 3a46 s LYS 276 N -2.08 4.27 0.14 -3.83 2.47 -1.15 -4.47 119.74 115.09 3a46 s LYS 276 Ca 0.22 2.14 0.04 0.00 -1.56 0.00 0.00 55.97 56.81 3a46 s LYS 276 Cb 0.20 -3.42 -0.04 0.00 -1.46 0.00 0.00 37.83 33.11 3a46 s LYS 276 CO 0.02 -0.57 0.16 1.03 0.16 0.00 0.00 175.35 176.15 3a46 s ARG 277 N 1.88 3.02 -0.22 4.03 1.81 -1.13 -5.00 118.95 123.33 3a46 s ARG 277 Ca 0.67 -0.77 -0.15 0.00 -1.72 0.00 0.00 55.73 53.77 3a46 s ARG 277 Cb -0.37 -2.74 -0.04 0.00 -0.45 0.00 0.00 34.95 31.35 3a46 s ARG 277 CO 0.30 0.51 0.35 0.99 -0.68 0.00 0.00 175.30 176.77 3a46 s THR 278 N -1.67 5.22 -0.27 0.02 2.01 -1.26 -4.11 115.64 115.59 3a46 s THR 278 Ca 0.31 0.59 -0.07 0.00 0.31 0.00 0.00 61.69 62.83 3a46 s THR 278 Cb -0.11 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 3a46 s THR 278 CO 0.24 0.25 0.07 -0.89 -0.69 0.00 0.00 174.62 173.60 3a46 s THR 279 N 1.43 4.11 -0.18 -0.82 2.01 0.24 -4.91 115.64 117.53 3a46 s THR 279 Ca 0.16 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.61 3a46 s THR 279 Cb -0.15 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 3a46 s THR 279 CO 0.08 0.25 0.38 -0.31 -0.69 0.00 0.00 174.62 174.32 3a46 s TYR 280 N 1.56 3.42 0.10 4.92 2.02 -1.26 -0.77 117.35 127.35 3a46 s TYR 280 Ca 0.05 0.65 -0.16 0.00 -0.37 0.00 0.00 57.07 57.24 3a46 s TYR 280 Cb -0.16 -2.48 0.03 0.00 -0.40 0.00 0.00 41.96 38.96 3a46 s TYR 280 CO 0.03 0.09 0.39 1.67 -1.57 0.00 0.00 175.55 176.15 3a46 s TRP 281 N 0.95 -0.19 -0.40 2.71 1.48 -0.80 -4.74 118.94 117.95 3a46 s TRP 281 Ca 0.19 -0.07 -0.04 0.00 -1.06 0.00 0.00 56.10 55.13 3a46 s TRP 281 Cb -0.14 0.22 0.10 0.00 -1.16 0.00 0.00 33.47 32.49 3a46 s TRP 281 CO 0.07 -0.65 0.20 0.00 -4.06 0.00 0.00 176.95 172.50 3a46 s ALA 282 N -3.47 3.15 0.45 2.67 0.00 -1.26 -0.53 121.76 122.77 3a46 s ALA 282 Ca 0.01 -2.38 0.23 0.00 0.00 0.00 0.00 51.96 49.82 3a46 s ALA 282 Cb 0.01 -2.42 1.23 0.00 0.00 0.00 0.00 23.12 21.95 3a46 s ALA 282 CO -0.09 -1.72 1.83 -1.35 0.00 0.00 0.00 175.76 174.43 3a46 h PRO 283 N 8.12 0.26 -0.03 0.00 0.11 -1.80 0.19 132.00 138.86 3a46 h PRO 283 Ca -0.16 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.86 3a46 h PRO 283 Cb 1.06 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3a46 h PRO 283 CO 0.70 0.17 -0.32 0.00 -0.21 0.00 0.00 178.00 178.34 3a46 h ALA 284 N 1.58 1.41 0.01 -0.75 0.00 -1.94 -3.33 119.26 116.24 3a46 h ALA 284 Ca 0.51 -0.31 -0.42 0.00 0.00 0.00 0.00 54.91 54.70 3a46 h ALA 284 Cb 1.53 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 19.19 3a46 h ALA 284 CO -0.16 0.43 -2.42 -0.89 0.00 0.00 0.00 179.25 176.21 3a46 n ILE 285 N -4.14 1.53 -3.06 0.00 -0.00 -0.06 -4.92 119.36 108.70 3a46 n ILE 285 Ca -0.02 -0.46 -0.41 0.00 -0.00 0.00 0.00 62.75 61.87 3a46 n ILE 285 Cb 0.37 -1.70 -0.06 0.00 -0.00 0.00 0.00 39.64 38.26 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 -2.51 4.00 0.42 0.38 -0.21 0.48 -4.75 119.66 117.47 3a46 s GLN 286 Ca -0.36 0.48 0.03 0.00 0.02 0.00 0.00 55.36 55.54 3a46 s GLN 286 Cb 0.12 -3.70 -0.02 0.00 1.00 0.00 0.00 33.01 30.40 3a46 s GLN 286 CO 0.55 -0.54 0.11 0.15 -2.12 0.00 0.00 175.29 173.44 3a46 s LYS 287 N 2.67 1.97 -1.14 2.91 -0.14 -1.19 -4.38 119.74 120.45 3a46 s LYS 287 Ca 0.28 -2.21 -0.04 0.00 -1.36 0.00 0.00 55.97 52.64 3a46 s LYS 287 Cb -0.15 -0.76 0.26 0.00 -1.68 0.00 0.00 37.83 35.51 3a46 s LYS 287 CO 0.11 -0.46 1.80 1.28 -0.76 0.00 0.00 175.35 177.32 3a46 n LEU 288 N -0.96 7.02 0.00 3.17 4.32 -1.26 -1.97 117.00 127.31 3a46 n LEU 288 Ca -0.08 -5.13 0.00 0.00 -0.02 0.00 0.00 56.01 50.78 3a46 n LEU 288 Cb 0.65 -1.29 0.00 0.00 -1.62 0.00 0.00 43.42 41.17 3a46 n LEU 288 CO 0.36 1.81 0.00 1.21 -1.22 0.00 0.00 177.39 179.55