#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a45 n GLU 3 N 0.00 1.92 -0.35 -0.52 1.02 -1.26 -4.88 120.64 116.57 3a45 n GLU 3 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 3a45 n GLU 3 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.34 3a45 n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a45 n GLY 4 N 4.29 -2.17 0.34 0.62 0.00 0.22 -1.62 105.19 106.87 3a45 n GLY 4 Ca 0.00 1.00 -0.01 0.00 0.00 0.00 0.00 46.02 47.02 3a45 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a45 h PRO 5 N 0.00 1.09 -0.74 1.61 0.13 -1.89 -2.01 132.00 130.20 3a45 h PRO 5 Ca 0.15 -0.07 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 3a45 h PRO 5 Cb 0.36 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.21 3a45 h PRO 5 CO -0.80 0.72 0.26 0.93 -0.23 0.00 0.00 178.00 178.88 3a45 h GLU 6 N 1.12 1.13 -0.18 0.86 3.07 -1.66 -0.51 114.58 118.41 3a45 h GLU 6 Ca 0.36 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.98 3a45 h GLU 6 Cb 0.03 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 3a45 h GLU 6 CO -0.13 0.94 0.04 0.28 -1.40 0.00 0.00 179.01 178.75 3a45 h VAL 7 N 1.08 1.21 -0.29 3.13 2.07 -1.17 -0.23 116.25 122.05 3a45 h VAL 7 Ca 0.24 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3a45 h VAL 7 Cb 0.26 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 3a45 h VAL 7 CO -0.01 0.20 0.15 0.00 0.02 0.00 0.00 177.57 177.93 3a45 h ALA 8 N 0.85 0.37 -0.39 1.67 0.00 -1.23 0.34 119.26 120.87 3a45 h ALA 8 Ca 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3a45 h ALA 8 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3a45 h ALA 8 CO 0.00 -0.08 -0.02 1.25 0.00 0.00 0.00 179.25 180.40 3a45 h LEU 9 N 0.34 0.59 -0.43 0.00 5.85 -1.05 -0.71 115.31 119.91 3a45 h LEU 9 Ca 0.10 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3a45 h LEU 9 Cb 0.09 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3a45 h LEU 9 CO -0.01 0.68 -0.13 0.74 -0.34 0.00 0.00 178.44 179.37 3a45 h THR 10 N 0.59 1.27 -0.14 1.05 2.02 -0.66 -1.85 112.91 115.20 3a45 h THR 10 Ca 0.12 -1.26 0.01 0.00 0.77 0.00 0.00 66.41 66.06 3a45 h THR 10 Cb 0.40 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 3a45 h THR 10 CO 0.02 0.43 0.04 0.00 0.37 0.00 0.00 175.52 176.37 3a45 h ALA 11 N 0.85 0.14 -0.62 6.16 0.00 -0.43 0.19 119.26 125.55 3a45 h ALA 11 Ca 0.11 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.16 3a45 h ALA 11 Cb 0.68 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 3a45 h ALA 11 CO 0.05 -0.41 -0.01 -0.44 0.00 0.00 0.00 179.25 178.44 3a45 h ASP 12 N 0.10 -0.30 -0.25 0.00 3.32 -0.96 0.48 116.42 118.80 3a45 h ASP 12 Ca 0.06 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3a45 h ASP 12 Cb 0.04 0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3a45 h ASP 12 CO -0.07 -0.12 0.06 0.40 -1.72 0.00 0.00 179.24 177.78 3a45 h ILE 13 N 0.10 1.21 -0.85 0.35 2.04 -0.85 -1.67 117.51 117.84 3a45 h ILE 13 Ca 0.32 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.54 3a45 h ILE 13 Cb 0.52 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 3a45 h ILE 13 CO -0.54 0.23 0.53 -0.07 0.00 0.00 0.00 178.15 178.29 3a45 h LEU 14 N 0.22 0.83 -0.56 1.44 4.07 0.11 -1.73 115.31 119.69 3a45 h LEU 14 Ca 0.08 0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.97 3a45 h LEU 14 Cb 0.29 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 3a45 h LEU 14 CO 0.00 0.53 0.02 -0.33 -1.08 0.00 0.00 178.44 177.59 3a45 h GLU 15 N 0.96 0.98 -0.83 1.13 5.08 0.03 0.18 114.58 122.11 3a45 h GLU 15 Ca 0.37 -0.30 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 3a45 h GLU 15 Cb 0.16 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 3a45 h GLU 15 CO -0.17 0.97 0.48 -0.22 -1.00 0.00 0.00 179.01 179.07 3a45 h LYS 16 N 0.87 0.78 0.00 2.33 3.64 -0.42 -1.28 116.57 122.49 3a45 h LYS 16 Ca 0.16 -0.05 -0.32 0.00 -1.27 0.00 0.00 60.65 59.18 3a45 h LYS 16 Cb 0.51 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 3a45 h LYS 16 CO 0.02 0.52 -1.92 0.66 -2.27 0.00 0.00 179.45 176.46 3a45 n TYR 17 N -4.74 0.72 0.24 1.91 4.01 -0.92 -4.68 117.16 113.71 3a45 n TYR 17 Ca 0.14 0.25 0.03 0.00 -0.16 0.00 0.00 57.90 58.16 3a45 n TYR 17 Cb 0.28 -1.13 -0.02 0.00 -0.31 0.00 0.00 39.34 38.16 3a45 n TYR 17 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3a45 n PHE 18 N -2.98 0.00 -1.85 -0.72 3.72 0.62 -4.87 117.46 111.37 3a45 n PHE 18 Ca -0.22 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.76 3a45 n PHE 18 Cb 1.08 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.59 3a45 n PHE 18 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3a45 s LYS 19 N -1.26 4.18 0.00 -1.08 2.20 -0.49 -1.26 119.74 122.02 3a45 s LYS 19 Ca 0.03 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 3a45 s LYS 19 Cb 0.04 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3a45 s LYS 19 CO 0.18 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 3a45 n GLY 20 N 4.07 0.82 3.94 5.54 0.00 0.43 -4.99 105.19 115.00 3a45 n GLY 20 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 3a45 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a45 s LYS 21 N -0.27 3.50 -0.33 1.61 -0.14 -0.39 -4.74 119.74 118.97 3a45 s LYS 21 Ca 0.00 -0.26 -0.17 0.00 -1.36 0.00 0.00 55.97 54.18 3a45 s LYS 21 Cb 0.00 -2.63 -0.01 0.00 -1.68 0.00 0.00 37.83 33.51 3a45 s LYS 21 CO 0.00 0.11 0.47 0.99 -0.76 0.00 0.00 175.35 176.15 3a45 s THR 22 N -2.36 5.07 -0.06 2.17 2.01 -1.26 -1.39 115.64 119.82 3a45 s THR 22 Ca 0.41 0.34 -0.27 0.00 0.31 0.00 0.00 61.69 62.47 3a45 s THR 22 Cb -0.10 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 3a45 s THR 22 CO 0.37 -0.13 0.89 -0.22 -0.69 0.00 0.00 174.62 174.84 3a45 s LEU 23 N 2.27 4.31 -0.09 4.42 2.96 0.33 -0.81 118.68 132.07 3a45 s LEU 23 Ca 0.17 1.45 0.11 0.00 -0.22 0.00 0.00 54.13 55.64 3a45 s LEU 23 Cb -0.16 -3.39 -0.16 0.00 0.50 0.00 0.00 46.19 42.99 3a45 s LEU 23 CO 0.12 -0.27 0.10 -0.62 -1.32 0.00 0.00 176.35 174.37 3a45 n GLU 24 N 4.20 1.65 -3.65 1.98 1.02 0.16 -2.21 120.64 123.79 3a45 n GLU 24 Ca 0.04 -0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.09 3a45 n GLU 24 Cb 0.50 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.61 3a45 n GLU 24 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3a45 s TYR 25 N -2.44 -0.23 -0.05 -0.32 5.04 -1.02 -4.60 117.35 113.73 3a45 s TYR 25 Ca -0.05 -0.02 -0.02 0.00 -2.44 0.00 0.00 57.07 54.54 3a45 s TYR 25 Cb 0.05 0.60 0.04 0.00 0.35 0.00 0.00 41.96 43.00 3a45 s TYR 25 CO 0.49 -0.75 0.12 0.42 -1.34 0.00 0.00 175.55 174.49 3a45 s ILE 26 N -3.28 -0.05 -0.04 3.14 1.01 -1.26 -1.38 121.20 119.34 3a45 s ILE 26 Ca 0.09 0.19 0.07 0.00 0.00 0.00 0.00 60.65 61.00 3a45 s ILE 26 Cb -0.01 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.24 3a45 s ILE 26 CO -0.02 0.08 -0.25 -1.81 0.00 0.00 0.00 174.94 172.93 3a45 s ASP 27 N 1.14 3.08 -0.44 3.58 1.11 -0.69 -4.96 116.67 119.49 3a45 s ASP 27 Ca -0.09 -0.48 -0.05 0.00 0.18 0.00 0.00 52.55 52.11 3a45 s ASP 27 Cb -0.12 -0.56 0.12 0.00 1.07 0.00 0.00 42.92 43.43 3a45 s ASP 27 CO -0.05 0.29 0.26 -0.36 1.18 0.00 0.00 175.17 176.49 3a45 s PHE 28 N -0.43 3.53 -0.87 4.23 0.40 -1.26 -0.72 117.98 122.87 3a45 s PHE 28 Ca 0.04 -2.25 0.26 0.00 -0.60 0.00 0.00 56.93 54.38 3a45 s PHE 28 Cb -0.12 -3.32 0.66 0.00 0.51 0.00 0.00 43.02 40.75 3a45 s PHE 28 CO 0.01 -0.98 1.54 0.44 0.70 0.00 0.00 175.22 176.94 3a45 n ILE 29 N 4.65 0.17 -3.83 0.64 -5.35 -0.49 -4.33 119.36 110.81 3a45 n ILE 29 Ca -0.04 -0.11 -0.04 0.00 -0.27 0.00 0.00 62.75 62.30 3a45 n ILE 29 Cb 0.41 -0.12 0.01 0.00 -1.74 0.00 0.00 39.64 38.20 3a45 n ILE 29 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3a45 s SER 30 N -3.51 -0.05 0.00 7.28 1.04 -1.25 -4.95 113.70 112.25 3a45 s SER 30 Ca 0.10 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.89 3a45 s SER 30 Cb 0.16 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.82 3a45 s SER 30 CO 0.66 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3a45 n GLY 31 N -0.60 -2.13 0.44 7.32 0.00 -1.26 -3.86 105.19 105.11 3a45 n GLY 31 Ca -0.05 -1.55 0.26 0.00 0.00 0.00 0.00 46.02 44.69 3a45 n GLY 31 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3a45 h ARG 32 N 0.00 0.09 -0.03 1.61 0.11 -1.95 -1.09 114.38 113.12 3a45 h ARG 32 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3a45 h ARG 32 Cb 0.00 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.06 3a45 h ARG 32 CO 0.00 0.06 -0.06 0.66 0.10 0.00 0.00 179.97 180.73 3a45 n TYR 33 N -4.34 0.00 -0.17 4.08 4.01 -1.26 -4.28 117.16 115.21 3a45 n TYR 33 Ca 0.18 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.89 3a45 n TYR 33 Cb 0.88 -0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.94 3a45 n TYR 33 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3a45 h SER 34 N 3.93 -0.52 0.01 7.72 0.87 -1.30 -3.28 113.55 120.98 3a45 h SER 34 Ca 0.00 0.16 -0.42 0.00 -1.23 0.00 0.00 61.79 60.30 3a45 h SER 34 Cb 0.87 0.33 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 3a45 h SER 34 CO 0.00 -0.18 -2.41 0.29 -0.53 0.00 0.00 176.83 174.00 3a45 n LYS 35 N -5.38 0.61 -3.54 2.24 4.01 -1.26 -4.83 118.16 110.02 3a45 n LYS 35 Ca 0.05 0.25 -0.41 0.00 -0.51 0.00 0.00 58.31 57.69 3a45 n LYS 35 Cb 0.28 -1.53 -0.09 0.00 -0.51 0.00 0.00 35.03 33.18 3a45 n LYS 35 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 3a45 s SER 36 N -7.15 5.80 0.83 4.39 0.01 -1.24 -5.07 113.70 111.26 3a45 s SER 36 Ca -0.36 -1.37 -0.12 0.00 1.31 0.00 0.00 55.95 55.41 3a45 s SER 36 Cb 0.12 -2.05 0.09 0.00 0.21 0.00 0.00 66.02 64.39 3a45 s SER 36 CO 0.54 -0.54 1.16 -1.61 0.41 0.00 0.00 173.24 173.20 3a45 s GLU 37 N 1.51 1.61 0.75 12.44 0.41 -1.24 -4.20 118.70 129.97 3a45 s GLU 37 Ca 0.03 1.58 -0.13 0.00 -0.41 0.00 0.00 54.97 56.04 3a45 s GLU 37 Cb -0.23 -1.79 0.05 0.00 -1.78 0.00 0.00 34.13 30.38 3a45 s GLU 37 CO 0.04 -2.20 1.15 -2.14 -0.49 0.00 0.00 175.26 171.62 3a45 s PRO 38 N -4.40 2.14 0.22 0.39 0.02 -1.26 -4.90 135.00 127.21 3a45 s PRO 38 Ca 0.69 1.54 -0.32 0.00 0.02 0.00 0.00 61.00 62.93 3a45 s PRO 38 Cb -0.24 -1.86 -0.14 0.00 0.02 0.00 0.00 34.50 32.28 3a45 s PRO 38 CO 0.53 -1.79 1.43 -1.91 -0.33 0.00 0.00 177.00 174.93 3a45 n GLU 39 N -3.02 2.01 -0.80 5.54 2.13 -1.26 -1.60 120.64 123.63 3a45 n GLU 39 Ca 0.12 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.65 3a45 n GLU 39 Cb 0.51 -2.39 0.00 0.00 0.27 0.00 0.00 31.44 29.83 3a45 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a45 n GLY 40 N 2.40 1.37 0.21 8.31 0.00 -1.26 -1.50 105.19 114.72 3a45 n GLY 40 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 3a45 n GLY 40 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3a45 h TYR 41 N 0.00 -0.42 -0.39 1.61 3.20 -1.57 -0.39 116.97 119.01 3a45 h TYR 41 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 3a45 h TYR 41 Cb 0.00 0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3a45 h TYR 41 CO 0.00 -0.23 0.16 -0.44 -1.64 0.00 0.00 178.16 176.01 3a45 h ASP 42 N -0.21 0.21 -0.70 -2.11 3.45 -1.92 0.11 116.42 115.24 3a45 h ASP 42 Ca 0.09 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.54 3a45 h ASP 42 Cb 0.34 -0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.08 3a45 h ASP 42 CO -0.23 0.16 0.27 -0.78 -1.57 0.00 0.00 179.24 177.08 3a45 h ASP 43 N 0.34 0.98 -0.13 6.45 -0.00 -1.94 -1.69 116.42 120.43 3a45 h ASP 43 Ca 0.17 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.03 57.02 3a45 h ASP 43 Cb 0.12 -0.26 -0.01 0.00 -0.00 0.00 0.00 39.33 39.19 3a45 h ASP 43 CO -0.15 0.90 0.07 0.15 -0.00 0.00 0.00 179.24 180.20 3a45 h PHE 44 N 1.01 0.19 -0.57 0.28 3.04 -0.32 -2.47 116.94 118.09 3a45 h PHE 44 Ca 0.23 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.21 3a45 h PHE 44 Cb 0.23 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.64 3a45 h PHE 44 CO 0.02 0.22 0.34 0.82 -2.02 0.00 0.00 178.31 177.69 3a45 h ILE 45 N 0.10 1.04 -0.11 1.41 1.08 -0.64 -1.28 117.51 119.10 3a45 h ILE 45 Ca 0.05 -0.23 0.03 0.00 -0.39 0.00 0.00 64.86 64.32 3a45 h ILE 45 Cb 0.10 0.32 -0.00 0.00 -3.07 0.00 0.00 36.82 34.17 3a45 h ILE 45 CO -0.01 0.12 0.11 0.00 -0.69 0.00 0.00 178.15 177.69 3a45 h ALA 46 N 1.26 1.80 -0.01 1.87 0.00 -1.09 -1.38 119.26 121.71 3a45 h ALA 46 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3a45 h ALA 46 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3a45 h ALA 46 CO -0.11 -0.17 -0.30 0.09 0.00 0.00 0.00 179.25 178.76 3a45 n ASN 47 N -3.99 1.40 -4.84 0.00 3.02 -0.52 -4.92 115.26 105.40 3a45 n ASN 47 Ca -0.00 -1.14 -0.32 0.00 -0.03 0.00 0.00 54.58 53.09 3a45 n ASN 47 Cb 0.22 0.22 -0.01 0.00 -0.61 0.00 0.00 39.78 39.61 3a45 n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a45 s LEU 48 N -2.45 3.44 0.61 3.41 1.43 -0.52 -4.50 118.68 120.11 3a45 s LEU 48 Ca 0.24 1.56 -0.13 0.00 -1.03 0.00 0.00 54.13 54.77 3a45 s LEU 48 Cb 0.19 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.88 3a45 s LEU 48 CO 0.52 -0.84 1.04 -2.16 0.23 0.00 0.00 176.35 175.14 3a45 s PRO 49 N -4.50 3.42 0.02 1.29 0.04 -1.26 -5.04 135.00 128.97 3a45 s PRO 49 Ca 0.58 0.96 -0.08 0.00 0.04 0.00 0.00 61.00 62.50 3a45 s PRO 49 Cb -0.11 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.37 3a45 s PRO 49 CO 0.41 -0.72 0.17 -0.51 0.04 0.00 0.00 177.00 176.39 3a45 s LEU 50 N -4.88 1.47 0.08 -3.56 1.43 -0.94 -4.86 118.68 107.42 3a45 s LEU 50 Ca 0.59 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 53.26 3a45 s LEU 50 Cb -0.13 0.82 -0.06 0.00 0.03 0.00 0.00 46.19 46.86 3a45 s LEU 50 CO 0.45 -0.48 0.43 -0.54 0.23 0.00 0.00 176.35 176.44 3a45 s LYS 51 N -2.10 3.82 -0.16 1.70 1.02 -0.64 -0.51 119.74 122.87 3a45 s LYS 51 Ca -0.09 0.27 -0.22 0.00 0.02 0.00 0.00 55.97 55.95 3a45 s LYS 51 Cb -0.04 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.24 3a45 s LYS 51 CO -0.02 0.56 0.66 0.08 -0.92 0.00 0.00 175.35 175.71 3a45 s VAL 52 N -1.38 5.02 -0.10 3.17 1.01 -0.48 -1.49 120.40 126.15 3a45 s VAL 52 Ca 0.33 1.27 0.20 0.00 0.00 0.00 0.00 61.98 63.78 3a45 s VAL 52 Cb -0.14 -3.98 -0.30 0.00 0.00 0.00 0.00 36.38 31.96 3a45 s VAL 52 CO 0.18 0.15 0.31 -1.54 0.00 0.00 0.00 175.10 174.19 3a45 n SER 53 N 4.71 0.09 -3.49 3.32 3.41 0.19 0.16 113.62 122.01 3a45 n SER 53 Ca -0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.50 3a45 n SER 53 Cb 0.50 1.58 -0.02 0.00 -0.26 0.00 0.00 64.21 66.00 3a45 n SER 53 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3a45 s ASN 54 N -4.87 -0.42 -0.27 4.04 0.01 -1.16 -4.77 114.94 107.50 3a45 s ASN 54 Ca -0.09 0.06 -0.03 0.00 -0.71 0.00 0.00 52.86 52.09 3a45 s ASN 54 Cb 0.11 0.42 0.09 0.00 0.41 0.00 0.00 41.25 42.28 3a45 s ASN 54 CO 0.86 -0.66 0.10 -0.69 -1.51 0.00 0.00 177.10 175.20 3a45 s VAL 55 N -3.00 0.26 0.39 1.60 1.01 -1.26 -0.92 120.40 118.48 3a45 s VAL 55 Ca 0.03 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.25 3a45 s VAL 55 Cb -0.01 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.19 3a45 s VAL 55 CO -0.08 -0.60 0.10 -0.62 0.00 0.00 0.00 175.10 173.90 3a45 s ASP 56 N 1.94 4.25 0.11 3.32 -1.08 -0.51 -4.71 116.67 119.99 3a45 s ASP 56 Ca 0.07 -1.12 -0.05 0.00 -0.52 0.00 0.00 52.55 50.94 3a45 s ASP 56 Cb -0.16 -0.48 -0.02 0.00 -1.46 0.00 0.00 42.92 40.79 3a45 s ASP 56 CO -0.27 -0.44 0.12 0.42 0.52 0.00 0.00 175.17 175.52 3a45 s THR 57 N -2.60 0.13 -0.25 1.71 -4.23 -1.26 -0.70 115.64 108.44 3a45 s THR 57 Ca 0.38 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3a45 s THR 57 Cb 0.04 -1.69 0.13 0.00 1.34 0.00 0.00 72.50 72.32 3a45 s THR 57 CO 0.21 -0.61 0.35 -0.75 -0.54 0.00 0.00 174.62 173.27 3a45 s LYS 58 N -3.95 0.34 7.15 3.99 2.20 0.06 -5.00 119.74 124.52 3a45 s LYS 58 Ca 0.13 0.30 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 3a45 s LYS 58 Cb 0.06 -0.57 0.00 0.00 -1.51 0.00 0.00 37.83 35.81 3a45 s LYS 58 CO -0.05 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 3a45 n GLY 59 N 5.35 2.19 0.40 5.54 0.00 -1.26 -1.93 105.19 115.48 3a45 n GLY 59 Ca -0.03 -0.36 0.14 0.00 0.00 0.00 0.00 46.02 45.77 3a45 n GLY 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a45 n LYS 60 N 13.11 1.40 -3.26 1.61 5.02 -1.26 -4.52 118.16 130.27 3a45 n LYS 60 Ca 0.00 -0.81 -0.38 0.00 -2.02 0.00 0.00 58.31 55.09 3a45 n LYS 60 Cb 0.00 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 3a45 n LYS 60 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3a45 s PHE 61 N -2.16 3.50 0.10 2.13 5.36 -0.81 -4.53 117.98 121.57 3a45 s PHE 61 Ca 0.34 0.93 0.09 0.00 -0.96 0.00 0.00 56.93 57.33 3a45 s PHE 61 Cb 0.20 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 40.24 3a45 s PHE 61 CO 0.39 0.12 -0.22 -1.17 -1.46 0.00 0.00 175.22 172.88 3a45 s LEU 62 N 0.79 2.28 -0.01 6.12 0.20 -0.58 -0.76 118.68 126.72 3a45 s LEU 62 Ca 0.28 -0.67 -0.18 0.00 0.69 0.00 0.00 54.13 54.24 3a45 s LEU 62 Cb -0.16 -0.98 0.03 0.00 -0.43 0.00 0.00 46.19 44.66 3a45 s LEU 62 CO 0.11 0.11 0.39 -1.66 -0.29 0.00 0.00 176.35 175.02 3a45 s TRP 63 N -1.07 -0.28 -0.08 5.38 -2.14 0.12 -0.58 118.94 120.30 3a45 s TRP 63 Ca 0.08 0.41 -0.04 0.00 2.66 0.00 0.00 56.10 59.21 3a45 s TRP 63 Cb -0.10 0.17 -0.04 0.00 -3.10 0.00 0.00 33.47 30.41 3a45 s TRP 63 CO 0.04 -0.46 0.09 -0.06 -2.66 0.00 0.00 176.95 173.90 3a45 s PHE 64 N -1.53 3.41 -0.18 1.66 0.40 -0.33 -1.42 117.98 119.98 3a45 s PHE 64 Ca -0.11 0.35 -0.01 0.00 -0.60 0.00 0.00 56.93 56.56 3a45 s PHE 64 Cb -0.03 -1.85 0.00 0.00 0.51 0.00 0.00 43.02 41.65 3a45 s PHE 64 CO 0.04 0.62 -0.13 -1.21 0.70 0.00 0.00 175.22 175.23 3a45 s GLU 65 N -1.20 3.22 0.16 0.44 2.02 -0.10 -1.59 118.70 121.65 3a45 s GLU 65 Ca 0.17 -0.73 0.08 0.00 0.02 0.00 0.00 54.97 54.51 3a45 s GLU 65 Cb -0.12 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 3a45 s GLU 65 CO 0.07 -0.08 -0.17 -0.51 0.02 0.00 0.00 175.26 174.58 3a45 s LEU 66 N 1.07 2.44 0.05 1.80 1.02 0.34 -0.63 118.68 124.77 3a45 s LEU 66 Ca -0.00 -0.87 -0.00 0.00 0.02 0.00 0.00 54.13 53.28 3a45 s LEU 66 Cb -0.15 -0.77 -0.04 0.00 0.02 0.00 0.00 46.19 45.26 3a45 s LEU 66 CO -0.04 -0.06 -0.04 0.72 0.02 0.00 0.00 176.35 176.95 3a45 s PHE 67 N -2.14 0.54 -0.32 0.29 -0.71 -0.56 -1.01 117.98 114.07 3a45 s PHE 67 Ca 0.15 -0.90 -0.16 0.00 -1.04 0.00 0.00 56.93 54.99 3a45 s PHE 67 Cb -0.05 -0.37 -0.02 0.00 -1.21 0.00 0.00 43.02 41.37 3a45 s PHE 67 CO 0.06 -0.28 0.40 0.34 -1.34 0.00 0.00 175.22 174.39 3a45 s ASP 68 N -2.56 6.23 0.64 1.98 3.68 -0.95 -1.62 116.67 124.06 3a45 s ASP 68 Ca 0.02 -0.04 0.33 0.00 2.13 0.00 0.00 52.55 54.99 3a45 s ASP 68 Cb 0.03 -2.21 1.84 0.00 -1.45 0.00 0.00 42.92 41.13 3a45 s ASP 68 CO -0.07 -0.32 2.10 -0.65 0.13 0.00 0.00 175.17 176.36 3a45 h PRO 69 N 8.38 0.00 -0.21 4.34 0.11 -1.92 -1.56 132.00 141.14 3a45 h PRO 69 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3a45 h PRO 69 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a45 h PRO 69 CO 0.69 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.57 3a45 n ASN 70 N -3.31 2.91 -3.22 -2.05 3.02 -1.26 -4.80 115.26 106.55 3a45 n ASN 70 Ca -0.00 -1.86 -0.02 0.00 -0.03 0.00 0.00 54.58 52.67 3a45 n ASN 70 Cb 0.29 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.31 3a45 n ASN 70 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a45 s ASP 71 N -1.40 -1.00 0.64 6.41 -1.08 -0.59 -5.01 116.67 114.65 3a45 s ASP 71 Ca 0.28 -0.54 0.27 0.00 -0.52 0.00 0.00 52.55 52.04 3a45 s ASP 71 Cb 0.17 1.71 1.42 0.00 -1.46 0.00 0.00 42.92 44.76 3a45 s ASP 71 CO 0.25 -0.24 1.81 0.07 0.52 0.00 0.00 175.17 177.58 3a45 h LYS 72 N 7.45 0.00 0.00 4.34 2.10 -1.87 0.14 116.57 128.73 3a45 h LYS 72 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 3a45 h LYS 72 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3a45 h LYS 72 CO 0.15 0.00 -0.40 0.77 -2.00 0.00 0.00 179.45 177.97 3a45 h SER 73 N 0.00 0.00 -2.40 7.07 0.02 -1.95 -3.43 113.55 112.87 3a45 h SER 73 Ca 0.09 -0.12 -0.69 0.00 -0.84 0.00 0.00 61.79 60.23 3a45 h SER 73 Cb 1.03 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.39 3a45 h SER 73 CO -0.00 0.06 0.83 0.21 -1.14 0.00 0.00 176.83 176.79 3a45 s ASN 74 N -4.50 6.61 -0.12 3.07 3.04 0.04 -5.01 114.94 118.08 3a45 s ASN 74 Ca 0.07 -2.01 -0.02 0.00 0.04 0.00 0.00 52.86 50.94 3a45 s ASN 74 Cb 0.12 -2.40 -0.03 0.00 -1.54 0.00 0.00 41.25 37.40 3a45 s ASN 74 CO 0.68 -1.08 -0.03 -0.54 -3.04 0.00 0.00 177.10 173.09 3a45 s LYS 75 N 2.75 3.29 0.17 0.43 1.02 -1.26 -2.24 119.74 123.90 3a45 s LYS 75 Ca 0.32 -0.49 0.07 0.00 0.02 0.00 0.00 55.97 55.90 3a45 s LYS 75 Cb -0.05 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 3a45 s LYS 75 CO -0.09 0.46 -0.15 -1.58 -0.92 0.00 0.00 175.35 173.08 3a45 s TRP 76 N -0.24 1.60 0.01 3.18 0.52 -0.18 -4.37 118.94 119.45 3a45 s TRP 76 Ca 0.05 -0.57 0.01 0.00 0.02 0.00 0.00 56.10 55.60 3a45 s TRP 76 Cb -0.13 -0.78 -0.01 0.00 -1.15 0.00 0.00 33.47 31.41 3a45 s TRP 76 CO 0.02 0.26 -0.04 0.71 0.02 0.00 0.00 176.95 177.93 3a45 s TYR 77 N -2.63 0.35 -0.27 -1.98 1.51 0.19 -0.50 117.35 114.01 3a45 s TYR 77 Ca 0.17 -0.18 -0.03 0.00 -1.01 0.00 0.00 57.07 56.02 3a45 s TYR 77 Cb -0.02 -0.22 0.03 0.00 -0.11 0.00 0.00 41.96 41.64 3a45 s TYR 77 CO 0.05 -0.04 -0.02 0.42 -1.11 0.00 0.00 175.55 174.85 3a45 s ILE 78 N -0.44 3.12 -0.04 2.71 1.01 -0.62 -1.38 121.20 125.56 3a45 s ILE 78 Ca -0.03 -1.05 -0.18 0.00 0.00 0.00 0.00 60.65 59.39 3a45 s ILE 78 Cb -0.04 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.74 3a45 s ILE 78 CO -0.00 0.10 0.50 0.26 0.00 0.00 0.00 174.94 175.79 3a45 s TRP 79 N 1.34 3.64 -0.12 3.97 0.52 0.12 -1.19 118.94 127.23 3a45 s TRP 79 Ca -0.01 1.04 -0.07 0.00 0.02 0.00 0.00 56.10 57.08 3a45 s TRP 79 Cb -0.18 -2.49 0.04 0.00 -1.15 0.00 0.00 33.47 29.69 3a45 s TRP 79 CO -0.02 0.38 0.28 1.21 0.02 0.00 0.00 176.95 178.82 3a45 s ASN 80 N -0.21 -0.31 -0.05 2.95 3.04 0.25 -2.06 114.94 118.55 3a45 s ASN 80 Ca 0.27 0.60 0.04 0.00 0.04 0.00 0.00 52.86 53.81 3a45 s ASN 80 Cb -0.17 0.52 -0.00 0.00 -1.54 0.00 0.00 41.25 40.06 3a45 s ASN 80 CO 0.14 -0.15 -0.18 0.42 -3.04 0.00 0.00 177.10 174.29 3a45 s THR 81 N 0.94 1.48 0.02 -5.21 -4.23 -1.07 -1.52 115.64 106.05 3a45 s THR 81 Ca -0.06 -0.74 -0.20 0.00 -1.18 0.00 0.00 61.69 59.51 3a45 s THR 81 Cb -0.07 -1.27 -0.18 0.00 1.34 0.00 0.00 72.50 72.32 3a45 s THR 81 CO -0.06 0.42 1.23 -0.26 -0.54 0.00 0.00 174.62 175.41 3a45 h PHE 82 N 6.28 0.51 0.00 3.99 -1.00 -1.88 -0.55 116.94 124.30 3a45 h PHE 82 Ca -0.32 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 60.25 3a45 h PHE 82 Cb 1.18 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 40.65 3a45 h PHE 82 CO 0.44 0.93 0.00 0.41 -1.61 0.00 0.00 178.31 178.48 3a45 n GLY 83 N 0.58 -2.48 0.32 -1.45 0.00 -1.26 -2.22 105.19 98.68 3a45 n GLY 83 Ca -0.08 -1.60 0.07 0.00 0.00 0.00 0.00 46.02 44.41 3a45 n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a45 h LEU 84 N 0.00 0.41 -3.00 0.99 3.38 -1.92 -3.19 115.31 111.98 3a45 h LEU 84 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a45 h LEU 84 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3a45 h LEU 84 CO 0.00 0.28 0.00 0.35 0.09 0.00 0.00 178.44 179.16 3a45 n THR 85 N -4.48 1.33 -2.46 0.22 -2.24 -1.26 -4.17 114.28 101.21 3a45 n THR 85 Ca 0.05 -1.44 -0.42 0.00 -2.27 0.00 0.00 64.05 59.97 3a45 n THR 85 Cb 0.16 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 3a45 n THR 85 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a45 s GLY 86 N -1.64 2.51 -0.01 3.38 0.00 -0.94 -4.19 107.32 106.43 3a45 s GLY 86 Ca 0.13 0.81 -0.02 0.00 0.00 0.00 0.00 44.72 45.64 3a45 s GLY 86 CO 0.02 1.96 0.03 1.06 0.00 0.00 0.00 173.10 176.18 3a45 s MET 87 N 0.92 0.15 0.20 2.90 -1.94 0.31 -4.81 119.30 117.03 3a45 s MET 87 Ca 0.57 -0.14 0.05 0.00 -1.71 0.00 0.00 55.69 54.46 3a45 s MET 87 Cb -0.28 0.06 -0.03 0.00 2.01 0.00 0.00 34.83 36.58 3a45 s MET 87 CO 0.30 -0.03 0.25 -1.58 -0.01 0.00 0.00 175.02 173.95 3a45 s TRP 88 N -0.46 3.30 0.17 -0.03 0.52 -1.26 0.49 118.94 121.67 3a45 s TRP 88 Ca -0.05 -0.01 -0.24 0.00 0.02 0.00 0.00 56.10 55.82 3a45 s TRP 88 Cb -0.03 -1.54 0.06 0.00 -1.15 0.00 0.00 33.47 30.81 3a45 s TRP 88 CO -0.00 0.50 0.80 -1.54 0.02 0.00 0.00 176.95 176.72 3a45 s SER 89 N -3.56 -0.31 0.00 2.95 1.04 0.15 -4.32 113.70 109.65 3a45 s SER 89 Ca 0.33 -0.33 0.23 0.00 0.48 0.00 0.00 55.95 56.67 3a45 s SER 89 Cb -0.09 0.57 0.47 0.00 0.10 0.00 0.00 66.02 67.07 3a45 s SER 89 CO 0.26 -1.02 1.42 0.18 0.98 0.00 0.00 173.24 175.06 3a45 n LEU 90 N -0.41 3.01 -4.08 2.42 4.77 -1.26 -0.97 117.00 120.47 3a45 n LEU 90 Ca -0.08 -1.24 -0.12 0.00 -0.03 0.00 0.00 56.01 54.54 3a45 n LEU 90 Cb 0.61 -0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.41 3a45 n LEU 90 CO 0.13 0.62 -0.39 0.72 -1.33 0.00 0.00 177.39 177.14 3a45 s PHE 91 N -1.64 0.67 -1.05 -1.77 -0.71 -1.26 -4.85 117.98 107.37 3a45 s PHE 91 Ca 0.36 -0.63 -0.23 0.00 -1.04 0.00 0.00 56.93 55.39 3a45 s PHE 91 Cb 0.21 -0.41 -0.01 0.00 -1.21 0.00 0.00 43.02 41.61 3a45 s PHE 91 CO 0.31 -0.12 1.77 -2.00 -1.34 0.00 0.00 175.22 173.83 3a45 s GLU 92 N -2.22 3.06 0.85 1.99 2.12 -1.26 -4.72 118.70 118.51 3a45 s GLU 92 Ca -0.05 -0.94 -0.12 0.00 0.36 0.00 0.00 54.97 54.22 3a45 s GLU 92 Cb -0.05 -5.25 0.10 0.00 0.26 0.00 0.00 34.13 29.18 3a45 s GLU 92 CO -0.01 -2.98 1.15 0.00 -0.54 0.00 0.00 175.26 172.87 3a45 s ALA 93 N 7.90 2.26 0.47 6.30 0.00 -1.26 -4.96 121.76 132.47 3a45 s ALA 93 Ca 0.60 -0.55 -0.25 0.00 0.00 0.00 0.00 51.96 51.77 3a45 s ALA 93 Cb -0.02 -3.01 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 3a45 s ALA 93 CO 0.00 -1.91 1.40 0.21 0.00 0.00 0.00 175.76 175.47 3a45 s LYS 94 N -5.41 3.60 -0.96 0.00 2.20 -1.26 -2.44 119.74 115.47 3a45 s LYS 94 Ca 0.62 2.36 0.00 0.00 -0.36 0.00 0.00 55.97 58.60 3a45 s LYS 94 Cb -0.13 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 3a45 s LYS 94 CO 0.51 -0.87 0.00 0.66 -0.36 0.00 0.00 175.35 175.30 3a45 n TYR 95 N -0.33 -0.10 -1.78 4.03 0.53 -1.26 -4.75 117.16 113.50 3a45 n TYR 95 Ca 0.06 0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.52 3a45 n TYR 95 Cb 0.43 -1.97 -0.03 0.00 -1.03 0.00 0.00 39.34 36.74 3a45 n TYR 95 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 3a45 s THR 96 N -2.38 2.40 -0.16 -0.72 2.01 -1.02 -2.24 115.64 113.53 3a45 s THR 96 Ca 0.00 0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.16 3a45 s THR 96 Cb 0.00 -3.09 -0.11 0.00 0.01 0.00 0.00 72.50 69.31 3a45 s THR 96 CO 0.00 0.01 -0.13 0.54 -0.69 0.00 0.00 174.62 174.35 3a45 n ARG 97 N 4.73 0.50 -5.15 4.92 5.12 0.32 -4.46 116.66 122.64 3a45 n ARG 97 Ca 0.16 0.08 -0.30 0.00 -1.93 0.00 0.00 57.85 55.87 3a45 n ARG 97 Cb 0.37 -1.32 -0.16 0.00 -1.16 0.00 0.00 32.46 30.19 3a45 n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3a45 s ALA 98 N -2.32 1.99 -0.24 7.54 0.00 -1.08 -1.39 121.76 126.26 3a45 s ALA 98 Ca -0.20 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 50.83 3a45 s ALA 98 Cb 0.05 -0.63 0.05 0.00 0.00 0.00 0.00 23.12 22.59 3a45 s ALA 98 CO 0.37 0.37 -0.13 0.08 0.00 0.00 0.00 175.76 176.45 3a45 s VAL 99 N -0.08 2.17 -0.30 0.00 1.01 0.10 -1.71 120.40 121.59 3a45 s VAL 99 Ca -0.04 -1.42 -0.14 0.00 0.00 0.00 0.00 61.98 60.37 3a45 s VAL 99 Cb -0.13 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3a45 s VAL 99 CO 0.04 0.13 0.31 -0.76 0.00 0.00 0.00 175.10 174.82 3a45 s LEU 100 N 1.16 4.22 -0.30 3.92 1.02 0.26 -1.70 118.68 127.27 3a45 s LEU 100 Ca -0.05 -0.04 -0.11 0.00 0.02 0.00 0.00 54.13 53.95 3a45 s LEU 100 Cb -0.18 -2.29 -0.03 0.00 0.02 0.00 0.00 46.19 43.71 3a45 s LEU 100 CO -0.07 -0.21 0.18 -0.44 0.02 0.00 0.00 176.35 175.83 3a45 s SER 101 N 1.71 5.81 0.46 2.29 0.01 -0.48 -1.51 113.70 121.99 3a45 s SER 101 Ca 0.11 -0.28 0.07 0.00 1.31 0.00 0.00 55.95 57.17 3a45 s SER 101 Cb -0.16 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.00 3a45 s SER 101 CO 0.11 -0.14 0.43 -0.36 0.41 0.00 0.00 173.24 173.70 3a45 s PHE 102 N 1.70 2.36 0.81 2.43 0.40 -0.12 0.39 117.98 125.95 3a45 s PHE 102 Ca 0.06 -0.58 -0.12 0.00 -0.60 0.00 0.00 56.93 55.69 3a45 s PHE 102 Cb -0.17 -2.13 0.08 0.00 0.51 0.00 0.00 43.02 41.31 3a45 s PHE 102 CO 0.09 -0.31 1.10 0.34 0.70 0.00 0.00 175.22 177.14 3a45 s ASP 103 N -4.22 4.40 -1.36 1.36 3.68 0.00 -4.07 116.67 116.45 3a45 s ASP 103 Ca 0.47 1.26 -0.05 0.00 2.13 0.00 0.00 52.55 56.36 3a45 s ASP 103 Cb -0.04 -1.97 0.03 0.00 -1.45 0.00 0.00 42.92 39.49 3a45 s ASP 103 CO 0.28 -2.02 0.89 0.59 0.13 0.00 0.00 175.17 175.04 3a45 n ASN 104 N -3.46 -3.04 0.00 -0.34 3.02 -1.26 -2.90 115.26 107.28 3a45 n ASN 104 Ca 0.07 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3a45 n ASN 104 Cb 0.57 -4.29 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 3a45 n ASN 104 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a45 n GLU 105 N -4.47 0.00 -2.38 3.52 -0.58 -1.26 -4.98 120.64 110.49 3a45 n GLU 105 Ca -0.16 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.17 3a45 n GLU 105 Cb 0.62 -3.13 -0.03 0.00 -0.57 0.00 0.00 31.44 28.32 3a45 n GLU 105 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3a45 s LEU 106 N 0.00 4.45 0.00 -4.62 2.01 -1.14 -4.96 118.68 114.42 3a45 s LEU 106 Ca 0.00 2.24 -0.01 0.00 0.01 0.00 0.00 54.13 56.36 3a45 s LEU 106 Cb 0.00 -3.61 -0.01 0.00 0.01 0.00 0.00 46.19 42.59 3a45 s LEU 106 CO 0.00 -0.37 0.02 -0.04 1.01 0.00 0.00 176.35 176.97 3a45 s MET 107 N -0.26 0.20 0.05 1.70 -1.94 -1.26 -0.95 119.30 116.83 3a45 s MET 107 Ca 0.53 -0.25 0.03 0.00 -1.71 0.00 0.00 55.69 54.29 3a45 s MET 107 Cb -0.33 0.08 -0.02 0.00 2.01 0.00 0.00 34.83 36.57 3a45 s MET 107 CO 0.37 -0.03 -0.11 0.00 -0.01 0.00 0.00 175.02 175.24 3a45 s ALA 108 N -0.71 0.84 0.03 3.03 0.00 -0.57 -4.70 121.76 119.68 3a45 s ALA 108 Ca -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3a45 s ALA 108 Cb -0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 3a45 s ALA 108 CO -0.00 0.09 -0.05 0.71 0.00 0.00 0.00 175.76 176.51 3a45 s TYR 109 N -1.13 0.41 -0.16 0.00 1.51 -0.15 -0.57 117.35 117.26 3a45 s TYR 109 Ca -0.04 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.59 3a45 s TYR 109 Cb -0.09 -0.26 0.01 0.00 -0.11 0.00 0.00 41.96 41.51 3a45 s TYR 109 CO 0.01 -0.12 -0.21 0.12 -1.11 0.00 0.00 175.55 174.24 3a45 s PHE 110 N -1.21 2.70 0.06 2.71 5.36 -0.69 -0.67 117.98 126.23 3a45 s PHE 110 Ca -0.11 -1.47 0.03 0.00 -0.96 0.00 0.00 56.93 54.42 3a45 s PHE 110 Cb -0.09 -1.85 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 3a45 s PHE 110 CO -0.00 -0.70 0.05 -1.12 -1.46 0.00 0.00 175.22 171.99 3a45 s SER 111 N 1.04 5.38 -0.43 6.13 0.01 0.18 -0.52 113.70 125.49 3a45 s SER 111 Ca -0.01 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.24 3a45 s SER 111 Cb -0.14 -1.42 0.19 0.00 0.21 0.00 0.00 66.02 64.86 3a45 s SER 111 CO -0.07 0.20 0.83 -0.62 0.41 0.00 0.00 173.24 173.98 3a45 s ASP 112 N -2.19 -1.08 0.22 2.44 2.15 -0.95 -0.53 116.67 116.73 3a45 s ASP 112 Ca 0.27 -1.02 -0.07 0.00 0.43 0.00 0.00 52.55 52.15 3a45 s ASP 112 Cb -0.12 1.40 0.35 0.00 -0.30 0.00 0.00 42.92 44.25 3a45 s ASP 112 CO 0.19 -0.07 1.75 -0.03 -0.17 0.00 0.00 175.17 176.84 3a45 h MET 113 N 5.34 0.45 0.00 4.34 1.85 -1.79 -2.28 114.93 122.84 3a45 h MET 113 Ca 0.03 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 3a45 h MET 113 Cb 1.15 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.08 3a45 h MET 113 CO -0.01 0.30 -0.13 0.00 -0.40 0.00 0.00 176.91 176.67 3a45 h ARG 114 N 0.47 0.00 -1.04 0.39 2.47 -1.96 -3.48 114.38 111.22 3a45 h ARG 114 Ca 0.35 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.91 3a45 h ARG 114 Cb 0.45 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 3a45 h ARG 114 CO -0.33 0.00 -0.20 0.09 0.56 0.00 0.00 179.97 180.09 3a45 n ASN 115 N -2.33 -3.07 0.07 7.04 3.02 -0.86 -4.93 115.26 114.19 3a45 n ASN 115 Ca 0.05 0.02 0.12 0.00 -0.03 0.00 0.00 54.58 54.74 3a45 n ASN 115 Cb 0.45 -2.21 0.08 0.00 -0.61 0.00 0.00 39.78 37.48 3a45 n ASN 115 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3a45 n PHE 116 N -3.82 0.62 -1.41 3.10 3.72 -1.26 -4.87 117.46 113.54 3a45 n PHE 116 Ca -0.09 0.18 -0.32 0.00 -0.05 0.00 0.00 57.45 57.17 3a45 n PHE 116 Cb 0.53 -0.70 0.08 0.00 -0.94 0.00 0.00 39.48 38.45 3a45 n PHE 116 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3a45 s GLY 117 N -3.89 1.88 0.15 1.37 0.00 -1.14 -4.54 107.32 101.16 3a45 s GLY 117 Ca 0.03 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.22 3a45 s GLY 117 CO 0.76 0.77 -0.11 -0.51 0.00 0.00 0.00 173.10 174.02 3a45 s THR 118 N -2.64 1.26 0.03 0.90 -4.23 -0.21 -4.96 115.64 105.78 3a45 s THR 118 Ca 0.64 -2.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 3a45 s THR 118 Cb -0.19 -1.87 -0.02 0.00 1.34 0.00 0.00 72.50 71.75 3a45 s THR 118 CO 0.50 -0.72 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.46 3a45 s PHE 119 N -3.26 0.39 -0.27 3.99 0.40 -1.26 -2.58 117.98 115.40 3a45 s PHE 119 Ca 0.17 -0.61 -0.24 0.00 -0.60 0.00 0.00 56.93 55.65 3a45 s PHE 119 Cb 0.02 -0.27 0.08 0.00 0.51 0.00 0.00 43.02 43.36 3a45 s PHE 119 CO 0.01 -0.19 0.76 0.21 0.70 0.00 0.00 175.22 176.71 3a45 s LYS 120 N -1.90 0.77 -0.09 0.44 2.20 -0.88 -4.47 119.74 115.82 3a45 s LYS 120 Ca -0.11 0.97 0.03 0.00 -0.36 0.00 0.00 55.97 56.50 3a45 s LYS 120 Cb -0.07 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3a45 s LYS 120 CO -0.02 -0.10 -0.20 -0.06 -0.36 0.00 0.00 175.35 174.61 3a45 s PHE 121 N 0.52 2.61 -0.05 4.03 0.08 -0.56 0.10 117.98 124.70 3a45 s PHE 121 Ca -0.01 -0.72 -0.12 0.00 0.12 0.00 0.00 56.93 56.20 3a45 s PHE 121 Cb -0.05 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 3a45 s PHE 121 CO -0.03 -0.22 0.29 0.45 -0.10 0.00 0.00 175.22 175.62 3a45 s SER 122 N 0.04 -0.22 -0.35 1.36 0.15 -0.48 -4.20 113.70 110.00 3a45 s SER 122 Ca -0.08 0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.91 3a45 s SER 122 Cb -0.15 0.43 0.58 0.00 -1.71 0.00 0.00 66.02 65.17 3a45 s SER 122 CO 0.05 -0.30 1.65 -0.46 1.20 0.00 0.00 173.24 175.39 3a45 n ASN 123 N 1.97 3.06 -4.00 5.45 0.23 -1.26 0.54 115.26 121.24 3a45 n ASN 123 Ca -0.18 -3.69 -0.30 0.00 -0.53 0.00 0.00 54.58 49.87 3a45 n ASN 123 Cb 0.57 -0.72 -0.16 0.00 -2.08 0.00 0.00 39.78 37.39 3a45 n ASN 123 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3a45 s SER 124 N -2.00 3.11 0.25 0.53 0.15 -1.26 -4.78 113.70 109.69 3a45 s SER 124 Ca 0.50 -0.73 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 3a45 s SER 124 Cb 0.44 -1.21 0.30 0.00 -1.71 0.00 0.00 66.02 63.84 3a45 s SER 124 CO 0.05 -0.11 1.70 -0.08 1.20 0.00 0.00 173.24 176.00 3a45 h GLU 125 N 8.01 0.72 -0.28 5.44 4.81 -1.92 -2.71 114.58 128.65 3a45 h GLU 125 Ca -0.32 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 58.71 3a45 h GLU 125 Cb 1.11 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 3a45 h GLU 125 CO 0.50 0.82 0.06 0.87 -0.73 0.00 0.00 179.01 180.52 3a45 h LYS 126 N 0.65 0.15 -0.48 1.92 1.57 -1.99 0.11 116.57 118.51 3a45 h LYS 126 Ca 0.11 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3a45 h LYS 126 Cb 0.60 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3a45 h LYS 126 CO 0.04 0.10 0.17 0.93 -0.57 0.00 0.00 179.45 180.12 3a45 h GLU 127 N 0.16 0.69 -0.68 3.15 4.39 -1.96 0.90 114.58 121.24 3a45 h GLU 127 Ca 0.13 -0.11 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3a45 h GLU 127 Cb 0.13 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3a45 h GLU 127 CO -0.17 0.59 0.12 1.25 -1.16 0.00 0.00 179.01 179.64 3a45 h LEU 128 N 0.69 1.06 -0.65 1.33 5.85 -0.92 0.54 115.31 123.21 3a45 h LEU 128 Ca 0.16 -0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 3a45 h LEU 128 Cb 0.17 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3a45 h LEU 128 CO -0.01 1.04 -0.29 0.11 -0.34 0.00 0.00 178.44 178.95 3a45 h LYS 129 N 1.04 0.74 -0.33 1.25 1.57 -0.04 -0.82 116.57 119.98 3a45 h LYS 129 Ca 0.21 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3a45 h LYS 129 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3a45 h LYS 129 CO 0.01 0.94 0.18 -0.09 -0.57 0.00 0.00 179.45 179.92 3a45 h ARG 130 N 0.63 0.46 -0.73 3.15 2.43 -0.47 -2.34 114.38 117.52 3a45 h ARG 130 Ca 0.08 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3a45 h ARG 130 Cb 0.81 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 3a45 h ARG 130 CO 0.07 0.40 0.33 -0.22 -1.51 0.00 0.00 179.97 179.03 3a45 h LYS 131 N 0.41 1.07 0.00 0.20 1.63 -0.64 -2.32 116.57 116.92 3a45 h LYS 131 Ca 0.12 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 3a45 h LYS 131 Cb 0.07 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.52 3a45 h LYS 131 CO -0.02 0.86 0.00 -0.07 -3.45 0.00 0.00 179.45 176.77 3a45 h LEU 132 N 1.04 0.00 -0.15 5.20 3.38 -0.88 -1.63 115.31 122.27 3a45 h LEU 132 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3a45 h LEU 132 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3a45 h LEU 132 CO -0.03 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.09 3a45 n ASN 133 N -3.00 0.64 0.09 -0.43 4.13 -0.88 -2.56 115.26 113.25 3a45 n ASN 133 Ca -0.00 0.58 0.13 0.00 1.68 0.00 0.00 54.58 56.96 3a45 n ASN 133 Cb 0.23 -0.75 0.46 0.00 -1.54 0.00 0.00 39.78 38.18 3a45 n ASN 133 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3a45 n GLU 134 N -2.13 0.18 -4.46 3.52 1.02 -0.61 -4.80 120.64 113.36 3a45 n GLU 134 Ca 0.05 0.23 -0.32 0.00 -0.02 0.00 0.00 57.16 57.10 3a45 n GLU 134 Cb 0.37 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 3a45 n GLU 134 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a45 s LEU 135 N -4.15 3.14 0.84 -4.62 1.43 -1.06 -4.46 118.68 109.81 3a45 s LEU 135 Ca 0.10 -0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 52.95 3a45 s LEU 135 Cb 0.13 -1.80 0.16 0.00 0.03 0.00 0.00 46.19 44.71 3a45 s LEU 135 CO 0.52 0.28 1.16 -0.83 0.23 0.00 0.00 176.35 177.71 3a45 s GLY 136 N -1.42 1.77 0.36 -3.19 0.00 0.03 -4.94 107.32 99.93 3a45 s GLY 136 Ca 0.17 -1.45 -0.25 0.00 0.00 0.00 0.00 44.72 43.19 3a45 s GLY 136 CO 0.07 -0.78 0.78 -1.05 0.00 0.00 0.00 173.10 172.12 3a45 n PRO 137 N -3.31 0.90 -2.22 2.90 -0.02 -1.26 -3.51 135.00 128.48 3a45 n PRO 137 Ca 0.15 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 3a45 n PRO 137 Cb 0.60 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 3a45 n PRO 137 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3a45 s ASP 138 N -0.80 6.00 0.59 2.55 -1.08 -1.26 -0.02 116.67 122.65 3a45 s ASP 138 Ca 0.62 0.72 0.29 0.00 -0.52 0.00 0.00 52.55 53.66 3a45 s ASP 138 Cb -0.66 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 39.74 3a45 s ASP 138 CO 0.58 -1.73 1.89 -0.26 0.52 0.00 0.00 175.17 176.17 3a45 h PHE 139 N 12.02 0.00 0.07 -5.34 0.05 -1.51 0.35 116.94 122.58 3a45 h PHE 139 Ca -0.29 0.00 -0.32 0.00 3.82 0.00 0.00 57.97 61.19 3a45 h PHE 139 Cb 1.13 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 39.05 3a45 h PHE 139 CO 1.00 0.00 -1.72 -0.11 -0.18 0.00 0.00 178.31 177.29 3a45 n LEU 140 N -3.68 2.32 0.09 1.54 7.94 -1.26 -4.55 117.00 119.39 3a45 n LEU 140 Ca 0.08 0.29 0.03 0.00 -1.11 0.00 0.00 56.01 55.31 3a45 n LEU 140 Cb 0.67 -1.05 -0.02 0.00 0.53 0.00 0.00 43.42 43.54 3a45 n LEU 140 CO 0.27 0.62 0.05 0.11 -1.11 0.00 0.00 177.39 177.33 3a45 h LYS 141 N -0.38 0.00 -5.40 1.96 1.57 -1.80 -3.39 116.57 109.13 3a45 h LYS 141 Ca -0.40 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.75 3a45 h LYS 141 Cb 1.73 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.91 3a45 h LYS 141 CO -0.04 0.29 0.06 1.21 -0.57 0.00 0.00 179.45 180.39 3a45 s ASN 142 N -5.93 6.42 0.00 0.86 3.84 0.12 -4.88 114.94 115.36 3a45 s ASN 142 Ca 0.00 0.29 0.26 0.00 0.21 0.00 0.00 52.86 53.62 3a45 s ASN 142 Cb 0.08 -2.30 0.61 0.00 -0.55 0.00 0.00 41.25 39.09 3a45 s ASN 142 CO 0.78 -0.45 1.48 -0.67 -2.79 0.00 0.00 177.10 175.45 3a45 n ASP 143 N 5.79 1.35 -2.82 -4.21 2.03 -1.26 -4.37 116.55 113.06 3a45 n ASP 143 Ca -0.03 -1.13 -0.23 0.00 0.52 0.00 0.00 54.79 53.93 3a45 n ASP 143 Cb 0.49 0.19 -0.02 0.00 -0.72 0.00 0.00 41.12 41.06 3a45 n ASP 143 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3a45 n ASP 144 N -0.36 3.40 -4.78 1.67 10.43 -1.26 -5.03 116.55 120.62 3a45 n ASP 144 Ca 0.12 -3.42 -0.38 0.00 2.57 0.00 0.00 54.79 53.68 3a45 n ASP 144 Cb 0.38 -0.54 -0.06 0.00 1.84 0.00 0.00 41.12 42.74 3a45 n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3a45 s ILE 145 N -4.19 5.11 -0.43 0.53 1.01 -1.26 -5.05 121.20 116.92 3a45 s ILE 145 Ca 0.44 0.86 -0.16 0.00 0.00 0.00 0.00 60.65 61.79 3a45 s ILE 145 Cb 0.35 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 39.11 3a45 s ILE 145 CO -0.12 0.46 0.38 -0.62 0.00 0.00 0.00 174.94 175.05 3a45 s ASP 146 N -0.27 6.15 -0.18 3.58 2.15 -1.26 -4.93 116.67 121.91 3a45 s ASP 146 Ca 0.24 -0.90 0.13 0.00 0.43 0.00 0.00 52.55 52.45 3a45 s ASP 146 Cb -0.16 -2.19 0.68 0.00 -0.30 0.00 0.00 42.92 40.95 3a45 s ASP 146 CO 0.11 -0.55 1.55 2.30 -0.17 0.00 0.00 175.17 178.41 3a45 n ILE 147 N 5.29 2.15 0.32 4.11 -5.35 -1.26 -4.30 119.36 120.32 3a45 n ILE 147 Ca -0.10 -1.14 0.14 0.00 -0.27 0.00 0.00 62.75 61.38 3a45 n ILE 147 Cb 0.46 -0.21 0.62 0.00 -1.74 0.00 0.00 39.64 38.78 3a45 n ILE 147 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3a45 h SER 148 N 3.44 0.00 0.17 7.28 4.64 -1.97 -1.73 113.55 125.39 3a45 h SER 148 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a45 h SER 148 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 3a45 h SER 148 CO 0.36 0.00 0.00 0.50 -0.87 0.00 0.00 176.83 176.82 3a45 h LYS 149 N 0.00 0.00 -0.35 4.77 3.64 -1.97 -1.99 116.57 120.67 3a45 h LYS 149 Ca 0.00 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3a45 h LYS 149 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3a45 h LYS 149 CO 0.00 0.00 0.24 0.82 -2.27 0.00 0.00 179.45 178.24 3a45 h ILE 150 N 0.00 0.98 -0.19 2.00 1.08 -1.66 -2.43 117.51 117.28 3a45 h ILE 150 Ca 0.00 -0.10 -0.09 0.00 -0.39 0.00 0.00 64.86 64.28 3a45 h ILE 150 Cb 0.09 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 3a45 h ILE 150 CO 0.00 0.05 -0.26 0.11 -0.69 0.00 0.00 178.15 177.36 3a45 h LYS 151 N 0.29 0.36 0.00 2.37 1.57 -1.55 -2.99 116.57 116.63 3a45 h LYS 151 Ca 0.15 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3a45 h LYS 151 Cb 0.23 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3a45 h LYS 151 CO -0.03 0.60 0.00 1.63 -0.57 0.00 0.00 179.45 181.08 3a45 n LYS 152 N -4.13 0.50 -4.57 3.15 4.76 -0.91 -3.42 118.16 113.54 3a45 n LYS 152 Ca -0.01 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.10 3a45 n LYS 152 Cb 0.39 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.93 3a45 n LYS 152 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3a45 s TYR 153 N -2.00 2.76 -0.86 2.13 2.02 -1.13 -4.97 117.35 115.30 3a45 s TYR 153 Ca 0.24 -1.07 -0.03 0.00 -0.37 0.00 0.00 57.07 55.83 3a45 s TYR 153 Cb 0.11 -1.87 0.20 0.00 -0.40 0.00 0.00 41.96 39.99 3a45 s TYR 153 CO 0.18 -0.49 2.32 1.63 -1.57 0.00 0.00 175.55 177.62 3a45 n LYS 154 N 4.04 3.56 -4.23 -0.62 5.02 -1.26 -0.28 118.16 124.38 3a45 n LYS 154 Ca -0.19 -3.34 -0.16 0.00 -2.02 0.00 0.00 58.31 52.60 3a45 n LYS 154 Cb 0.52 -2.35 -0.11 0.00 -0.02 0.00 0.00 35.03 33.08 3a45 n LYS 154 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3a45 s GLN 155 N -2.71 1.01 0.25 1.97 -0.21 -1.26 -4.86 119.66 113.85 3a45 s GLN 155 Ca 0.52 -1.30 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 3a45 s GLN 155 Cb 0.32 -0.75 -0.14 0.00 1.00 0.00 0.00 33.01 33.44 3a45 s GLN 155 CO -0.23 0.12 1.12 -2.30 -2.12 0.00 0.00 175.29 171.89 3a45 n PRO 156 N 0.28 1.43 0.24 2.91 -0.02 -1.26 -0.69 135.00 137.89 3a45 n PRO 156 Ca -0.14 0.51 0.08 0.00 -2.02 0.00 0.00 63.50 61.93 3a45 n PRO 156 Cb 0.58 -1.96 0.61 0.00 -0.02 0.00 0.00 33.50 32.71 3a45 n PRO 156 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3a45 h ILE 157 N 2.36 0.90 -0.52 4.25 2.10 -0.24 -1.95 117.51 124.41 3a45 h ILE 157 Ca -0.42 -0.55 -0.03 0.00 1.08 0.00 0.00 64.86 64.94 3a45 h ILE 157 Cb 1.33 1.31 -0.03 0.00 -1.09 0.00 0.00 36.82 38.35 3a45 h ILE 157 CO 0.66 0.15 0.19 1.62 -1.08 0.00 0.00 178.15 179.68 3a45 h VAL 158 N 0.00 1.20 -0.19 2.19 3.04 -1.78 -1.42 116.25 119.29 3a45 h VAL 158 Ca -0.00 -0.64 -0.18 0.00 -1.01 0.00 0.00 66.70 64.87 3a45 h VAL 158 Cb 0.30 0.60 -0.00 0.00 -2.01 0.00 0.00 31.29 30.18 3a45 h VAL 158 CO 0.02 0.25 -0.62 0.00 -1.01 0.00 0.00 177.57 176.21 3a45 h ALA 159 N 1.47 0.56 -0.33 3.17 0.00 -1.65 -1.80 119.26 120.68 3a45 h ALA 159 Ca 0.18 -0.54 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3a45 h ALA 159 Cb 0.18 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3a45 h ALA 159 CO -0.01 0.70 -0.22 -0.07 0.00 0.00 0.00 179.25 179.64 3a45 h LEU 160 N 0.48 0.64 0.00 0.00 3.38 -1.16 -1.45 115.31 117.20 3a45 h LEU 160 Ca -0.01 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.59 3a45 h LEU 160 Cb 1.20 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 3a45 h LEU 160 CO 0.12 0.85 -0.78 -0.07 0.09 0.00 0.00 178.44 178.65 3a45 h LEU 161 N 0.56 0.00 -0.39 1.67 3.38 -1.26 -3.23 115.31 116.05 3a45 h LEU 161 Ca 0.08 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 3a45 h LEU 161 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3a45 h LEU 161 CO 0.05 0.70 -0.66 0.24 0.09 0.00 0.00 178.44 178.87 3a45 h MET 162 N 0.00 0.00 -7.00 1.13 2.86 -1.19 -3.42 114.93 107.32 3a45 h MET 162 Ca -0.03 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.09 3a45 h MET 162 Cb 1.56 0.00 0.09 0.00 0.06 0.00 0.00 31.60 33.30 3a45 h MET 162 CO 0.09 0.66 0.54 0.34 1.06 0.00 0.00 176.91 179.60 3a45 s ASP 163 N -6.62 5.98 0.00 1.22 -1.08 -0.56 -4.91 116.67 110.70 3a45 s ASP 163 Ca 0.01 2.49 0.24 0.00 -0.52 0.00 0.00 52.55 54.78 3a45 s ASP 163 Cb 0.10 -2.62 0.27 0.00 -1.46 0.00 0.00 42.92 39.21 3a45 s ASP 163 CO 0.76 -1.06 1.29 0.00 0.52 0.00 0.00 175.17 176.68 3a45 n GLN 164 N -0.47 2.03 -0.01 4.34 1.13 -1.26 -4.58 117.38 118.56 3a45 n GLN 164 Ca 0.07 -1.63 -0.02 0.00 -1.94 0.00 0.00 57.00 53.48 3a45 n GLN 164 Cb 0.46 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.34 3a45 n GLN 164 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 3a45 n LYS 165 N 0.94 0.04 -0.23 -1.09 3.00 -1.26 -0.79 118.16 118.77 3a45 n LYS 165 Ca 0.14 0.02 -0.05 0.00 -0.00 0.00 0.00 58.31 58.42 3a45 n LYS 165 Cb 0.54 -0.57 0.01 0.00 0.00 0.00 0.00 35.03 35.01 3a45 n LYS 165 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 3a45 h LYS 166 N -0.06 -0.14 0.00 1.64 1.57 -1.87 -3.36 116.57 114.35 3a45 h LYS 166 Ca -0.04 0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 3a45 h LYS 166 Cb 1.04 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 3a45 h LYS 166 CO -0.03 -0.09 -1.56 -0.89 -0.57 0.00 0.00 179.45 176.31 3a45 n ILE 167 N -5.44 0.56 -3.80 1.86 -0.00 -1.26 -4.99 119.36 106.29 3a45 n ILE 167 Ca 0.05 -0.15 -0.03 0.00 -0.00 0.00 0.00 62.75 62.61 3a45 n ILE 167 Cb 0.36 -1.49 -0.00 0.00 -0.00 0.00 0.00 39.64 38.51 3a45 n ILE 167 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 3a45 s GLY 168 N -5.14 -0.09 0.16 7.39 0.00 -1.26 -4.32 107.32 104.07 3a45 s GLY 168 Ca -0.14 -0.07 0.11 0.00 0.00 0.00 0.00 44.72 44.62 3a45 s GLY 168 CO 0.19 0.81 -0.25 -1.35 0.00 0.00 0.00 173.10 172.50 3a45 s SER 169 N -3.11 3.43 0.00 1.64 1.04 0.98 -4.09 113.70 113.58 3a45 s SER 169 Ca 0.16 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.80 3a45 s SER 169 Cb -0.02 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3a45 s SER 169 CO 0.04 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.02 3a45 n GLY 170 N 0.61 1.35 3.72 7.32 0.00 -1.26 -1.32 105.19 115.61 3a45 n GLY 170 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3a45 n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a45 s LEU 171 N 0.00 4.40 0.00 0.99 1.02 -1.26 0.71 118.68 124.54 3a45 s LEU 171 Ca 0.00 1.94 0.00 0.00 0.02 0.00 0.00 54.13 56.09 3a45 s LEU 171 Cb 0.00 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.63 3a45 s LEU 171 CO 0.00 -0.36 0.00 0.61 0.02 0.00 0.00 176.35 176.62 3a45 n GLY 172 N 2.87 4.99 0.31 -3.19 0.00 -1.26 -4.71 105.19 104.20 3a45 n GLY 172 Ca 0.07 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3a45 n GLY 172 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3a45 h ASN 173 N 0.00 0.66 0.35 1.61 -1.24 -1.96 -1.25 115.58 113.75 3a45 h ASN 173 Ca 0.00 -0.06 -0.32 0.00 0.71 0.00 0.00 56.30 56.62 3a45 h ASN 173 Cb 0.00 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.88 3a45 h ASN 173 CO 0.00 0.57 -1.61 0.10 -1.29 0.00 0.00 177.43 175.20 3a45 h TYR 174 N 0.73 0.58 -0.30 0.67 -0.00 -1.96 -3.11 116.97 113.57 3a45 h TYR 174 Ca 0.18 -0.42 -0.04 0.00 -0.00 0.00 0.00 58.73 58.45 3a45 h TYR 174 Cb 0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 36.79 3a45 h TYR 174 CO 0.01 1.49 0.02 -0.07 -0.00 0.00 0.00 178.16 179.61 3a45 h LEU 175 N 0.09 0.51 -1.05 0.10 3.38 -1.94 -0.93 115.31 115.47 3a45 h LEU 175 Ca -0.28 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.38 3a45 h LEU 175 Cb 2.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 3a45 h LEU 175 CO 0.17 0.68 0.37 0.58 0.09 0.00 0.00 178.44 180.33 3a45 h VAL 176 N 0.33 1.23 -0.18 1.22 2.07 -1.37 0.16 116.25 119.71 3a45 h VAL 176 Ca 0.09 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3a45 h VAL 176 Cb 0.40 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3a45 h VAL 176 CO 0.01 0.27 -0.05 0.00 0.02 0.00 0.00 177.57 177.82 3a45 h ALA 177 N 1.36 0.25 -0.53 1.67 0.00 -1.44 -1.19 119.26 119.38 3a45 h ALA 177 Ca 0.26 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3a45 h ALA 177 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3a45 h ALA 177 CO -0.04 0.02 -0.04 0.93 0.00 0.00 0.00 179.25 180.13 3a45 h GLU 178 N 0.06 0.93 -0.31 0.00 4.39 -0.90 -2.30 114.58 116.44 3a45 h GLU 178 Ca 0.04 -0.29 -0.11 0.00 0.34 0.00 0.00 59.36 59.34 3a45 h GLU 178 Cb 0.50 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 3a45 h GLU 178 CO 0.02 0.94 -0.25 0.82 -1.16 0.00 0.00 179.01 179.38 3a45 h ILE 179 N 0.85 1.30 0.00 3.13 2.04 -0.65 -2.31 117.51 121.87 3a45 h ILE 179 Ca 0.15 -1.41 -0.05 0.00 1.00 0.00 0.00 64.86 64.56 3a45 h ILE 179 Cb 0.55 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3a45 h ILE 179 CO 0.03 0.45 -0.24 -0.07 0.00 0.00 0.00 178.15 178.33 3a45 h LEU 180 N 0.47 0.00 -0.07 1.44 3.38 -1.17 -2.01 115.31 117.34 3a45 h LEU 180 Ca 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3a45 h LEU 180 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3a45 h LEU 180 CO 0.07 0.24 -0.29 0.22 0.09 0.00 0.00 178.44 178.77 3a45 h TYR 181 N 0.00 0.43 -0.75 1.13 3.20 -1.27 -0.99 116.97 118.72 3a45 h TYR 181 Ca -0.00 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.68 3a45 h TYR 181 Cb 0.61 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3a45 h TYR 181 CO 0.00 0.90 0.45 0.00 -1.64 0.00 0.00 178.16 177.88 3a45 h ARG 182 N -0.17 1.01 -0.10 1.82 2.47 -1.24 -1.15 114.38 117.02 3a45 h ARG 182 Ca -0.02 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 3a45 h ARG 182 Cb 0.93 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 3a45 h ARG 182 CO 0.06 0.70 0.00 0.00 0.56 0.00 0.00 179.97 181.29 3a45 n ALA 183 N -2.42 2.55 -3.29 0.04 0.00 -0.77 -4.92 120.51 111.70 3a45 n ALA 183 Ca 0.08 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 3a45 n ALA 183 Cb 0.06 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.35 3a45 n ALA 183 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a45 n LYS 184 N -0.12 -3.47 -4.17 0.00 5.02 -0.43 -4.95 118.16 110.03 3a45 n LYS 184 Ca 0.15 0.52 -0.34 0.00 -2.02 0.00 0.00 58.31 56.61 3a45 n LYS 184 Cb 0.22 -5.23 -0.11 0.00 -0.02 0.00 0.00 35.03 29.88 3a45 n LYS 184 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3a45 s ILE 185 N -2.93 4.22 0.16 -0.18 1.01 -0.43 -2.80 121.20 120.25 3a45 s ILE 185 Ca 0.37 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.47 3a45 s ILE 185 Cb -0.19 -2.89 -0.10 0.00 0.01 0.00 0.00 42.46 39.29 3a45 s ILE 185 CO 0.46 0.46 1.56 -0.62 0.00 0.00 0.00 174.94 176.79 3a45 s ASP 186 N 0.57 6.61 0.41 3.58 3.68 -0.96 -4.68 116.67 125.87 3a45 s ASP 186 Ca -0.00 2.59 0.20 0.00 2.13 0.00 0.00 52.55 57.46 3a45 s ASP 186 Cb -0.14 -2.59 1.14 0.00 -1.45 0.00 0.00 42.92 39.88 3a45 s ASP 186 CO 0.02 -0.81 1.77 -0.65 0.13 0.00 0.00 175.17 175.63 3a45 h PRO 187 N 6.88 0.35 0.00 4.34 0.11 -1.92 -1.05 132.00 140.71 3a45 h PRO 187 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3a45 h PRO 187 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3a45 h PRO 187 CO 0.91 0.23 0.00 0.72 -0.21 0.00 0.00 178.00 179.65 3a45 n HIS 188 N -4.60 0.93 -1.68 0.65 8.25 -1.26 -2.66 115.22 114.84 3a45 n HIS 188 Ca 0.25 0.30 -0.45 0.00 -0.26 0.00 0.00 57.72 57.56 3a45 n HIS 188 Cb 0.91 -0.99 -0.04 0.00 1.12 0.00 0.00 29.99 30.99 3a45 n HIS 188 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3a45 n LYS 189 N -2.29 2.39 -2.24 -0.41 4.81 -0.40 -4.40 118.16 115.62 3a45 n LYS 189 Ca 0.04 0.86 -0.38 0.00 -0.87 0.00 0.00 58.31 57.96 3a45 n LYS 189 Cb 0.37 -2.68 -0.02 0.00 0.02 0.00 0.00 35.03 32.72 3a45 n LYS 189 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3a45 s LEU 190 N 1.67 4.17 0.13 3.14 1.02 -1.26 0.12 118.68 127.67 3a45 s LEU 190 Ca 0.80 2.40 -0.21 0.00 0.02 0.00 0.00 54.13 57.15 3a45 s LEU 190 Cb -0.61 -4.03 -0.02 0.00 0.02 0.00 0.00 46.19 41.55 3a45 s LEU 190 CO 0.38 -0.75 1.69 1.23 0.02 0.00 0.00 176.35 178.92 3a45 h GLY 191 N 2.56 0.05 1.65 -3.19 0.00 -0.78 -1.51 103.07 101.85 3a45 h GLY 191 Ca -0.49 0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3a45 h GLY 191 CO 0.62 -0.12 0.12 -1.14 0.00 0.00 0.00 176.54 176.02 3a45 n SER 192 N -5.25 0.34 -1.00 0.19 3.41 0.61 -1.49 113.62 110.44 3a45 n SER 192 Ca -0.02 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 3a45 n SER 192 Cb 0.17 -0.62 0.16 0.00 -0.26 0.00 0.00 64.21 63.66 3a45 n SER 192 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3a45 n ASN 193 N -1.97 3.14 -4.81 4.04 3.02 -0.57 -4.96 115.26 113.15 3a45 n ASN 193 Ca -0.01 -1.94 -0.35 0.00 -0.03 0.00 0.00 54.58 52.25 3a45 n ASN 193 Cb 0.14 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 3a45 n ASN 193 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a45 s LEU 194 N -1.58 4.13 0.40 3.41 1.43 -0.55 -4.99 118.68 120.93 3a45 s LEU 194 Ca 0.32 1.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 3a45 s LEU 194 Cb 0.20 -4.22 -0.07 0.00 0.03 0.00 0.00 46.19 42.13 3a45 s LEU 194 CO 0.29 -0.21 0.78 0.42 0.23 0.00 0.00 176.35 177.86 3a45 s THR 195 N -1.90 4.76 0.41 5.49 -4.23 -1.26 -4.92 115.64 113.98 3a45 s THR 195 Ca 0.55 0.69 0.15 0.00 -1.18 0.00 0.00 61.69 61.90 3a45 s THR 195 Cb -0.13 -3.72 0.35 0.00 1.34 0.00 0.00 72.50 70.34 3a45 s THR 195 CO 0.18 -0.50 1.89 0.44 -0.54 0.00 0.00 174.62 176.08 3a45 h ASP 196 N 1.33 0.46 -0.08 3.99 3.32 -1.99 -0.14 116.42 123.31 3a45 h ASP 196 Ca -0.47 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 3a45 h ASP 196 Cb 1.19 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 3a45 h ASP 196 CO 0.64 0.22 0.03 -0.61 -1.72 0.00 0.00 179.24 177.80 3a45 h GLN 197 N 0.48 0.12 -0.61 3.56 -0.00 -2.00 -1.89 115.11 114.77 3a45 h GLN 197 Ca 0.42 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 59.06 3a45 h GLN 197 Cb 0.92 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.35 3a45 h GLN 197 CO -0.16 0.26 0.41 0.93 0.00 0.00 0.00 178.83 180.26 3a45 h GLU 198 N -0.05 0.78 -0.03 1.69 5.08 -1.46 0.60 114.58 121.20 3a45 h GLU 198 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3a45 h GLU 198 Cb 0.19 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3a45 h GLU 198 CO -0.00 0.52 0.01 0.82 -1.00 0.00 0.00 179.01 179.36 3a45 h ILE 199 N 0.81 1.00 -0.39 3.13 2.04 -0.83 0.60 117.51 123.87 3a45 h ILE 199 Ca 0.23 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.10 3a45 h ILE 199 Cb -0.05 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3a45 h ILE 199 CO -0.05 0.00 0.22 -0.08 0.00 0.00 0.00 178.15 178.24 3a45 h GLU 200 N 0.03 0.43 -0.78 2.37 4.81 -0.52 0.00 114.58 120.92 3a45 h GLU 200 Ca 0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 3a45 h GLU 200 Cb 0.00 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3a45 h GLU 200 CO -0.01 0.28 0.37 -0.97 -0.73 0.00 0.00 179.01 177.95 3a45 h ASN 201 N 0.44 1.03 -0.08 1.04 -1.24 -0.45 -1.99 115.58 114.34 3a45 h ASN 201 Ca 0.16 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 3a45 h ASN 201 Cb 0.02 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 38.81 3a45 h ASN 201 CO -0.08 0.88 0.02 0.25 -1.29 0.00 0.00 177.43 177.21 3a45 h LEU 202 N 1.11 0.12 -0.67 0.34 5.85 0.69 -2.52 115.31 120.22 3a45 h LEU 202 Ca 0.27 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.91 3a45 h LEU 202 Cb 0.13 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3a45 h LEU 202 CO -0.03 0.29 0.20 -0.25 -0.34 0.00 0.00 178.44 178.31 3a45 h TRP 203 N -0.06 0.33 -0.31 1.25 -0.00 -0.79 -0.98 115.95 115.39 3a45 h TRP 203 Ca 0.03 0.04 0.04 0.00 -0.00 0.00 0.00 58.89 58.99 3a45 h TRP 203 Cb 0.21 -0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.29 3a45 h TRP 203 CO -0.00 -0.00 0.07 -0.92 -0.00 0.00 0.00 178.44 177.59 3a45 h TYR 204 N 0.33 0.12 0.00 2.65 3.20 -1.12 -2.56 116.97 119.59 3a45 h TYR 204 Ca 0.36 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.21 3a45 h TYR 204 Cb 0.55 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3a45 h TYR 204 CO -0.22 0.04 -0.20 -1.49 -1.64 0.00 0.00 178.16 174.64 3a45 h TRP 205 N 0.19 0.00 -0.15 -3.82 4.06 -0.84 -0.82 115.95 114.57 3a45 h TRP 205 Ca 0.14 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.03 3a45 h TRP 205 Cb 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 3a45 h TRP 205 CO -0.16 0.20 -0.15 0.82 -3.56 0.00 0.00 178.44 175.59 3a45 h ILE 206 N 0.00 1.34 -0.63 1.49 2.04 -0.90 0.17 117.51 121.02 3a45 h ILE 206 Ca -0.00 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 3a45 h ILE 206 Cb 0.71 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 3a45 h ILE 206 CO 0.03 0.39 0.26 0.11 0.00 0.00 0.00 178.15 178.93 3a45 h LYS 207 N 0.00 0.95 0.65 2.37 1.57 -1.29 -1.40 116.57 119.41 3a45 h LYS 207 Ca 0.02 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3a45 h LYS 207 Cb 0.69 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3a45 h LYS 207 CO 0.04 0.80 -0.37 -0.92 -0.57 0.00 0.00 179.45 178.42 3a45 h TYR 208 N 0.89 -0.99 -0.46 -1.35 3.20 -1.02 -2.14 116.97 115.10 3a45 h TYR 208 Ca 0.21 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3a45 h TYR 208 Cb 0.20 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3a45 h TYR 208 CO 0.01 -0.58 0.18 0.93 -1.64 0.00 0.00 178.16 177.07 3a45 h GLU 209 N -0.96 0.68 -0.79 1.82 4.39 -0.91 -0.93 114.58 117.88 3a45 h GLU 209 Ca -0.08 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 3a45 h GLU 209 Cb 0.76 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 3a45 h GLU 209 CO 0.10 0.62 0.46 1.79 -1.16 0.00 0.00 179.01 180.82 3a45 h THR 210 N 0.60 1.23 -0.56 1.13 1.35 -1.29 0.15 112.91 115.51 3a45 h THR 210 Ca 0.15 -0.52 -0.10 0.00 -0.55 0.00 0.00 66.41 65.39 3a45 h THR 210 Cb 0.20 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.73 3a45 h THR 210 CO -0.01 0.24 -0.03 0.50 -0.25 0.00 0.00 175.52 175.97 3a45 h LYS 211 N 1.09 1.02 -0.16 4.72 3.64 -1.22 0.81 116.57 126.47 3a45 h LYS 211 Ca 0.28 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3a45 h LYS 211 Cb -0.02 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3a45 h LYS 211 CO -0.05 1.03 0.03 1.25 -2.27 0.00 0.00 179.45 179.44 3a45 h LEU 212 N 0.90 0.24 0.07 5.20 6.46 -0.74 -1.24 115.31 126.20 3a45 h LEU 212 Ca 0.16 -0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.69 3a45 h LEU 212 Cb 0.59 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3a45 h LEU 212 CO 0.04 0.43 -0.16 0.00 -0.62 0.00 0.00 178.44 178.12 3a45 h ALA 213 N 0.82 -0.25 -0.80 1.25 0.00 -0.53 -2.53 119.26 117.23 3a45 h ALA 213 Ca 0.05 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3a45 h ALA 213 Cb 0.28 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 3a45 h ALA 213 CO 0.00 -0.68 0.52 -0.92 0.00 0.00 0.00 179.25 178.18 3a45 h TYR 214 N -0.31 0.91 0.00 0.00 3.20 -0.77 -2.08 116.97 117.93 3a45 h TYR 214 Ca 0.03 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3a45 h TYR 214 Cb 0.34 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3a45 h TYR 214 CO -0.18 0.50 0.00 -0.25 -1.64 0.00 0.00 178.16 176.59 3a45 n ASP 215 N -4.47 0.33 -4.72 -2.11 8.00 -0.48 -4.88 116.55 108.22 3a45 n ASP 215 Ca 0.11 0.54 -0.30 0.00 0.71 0.00 0.00 54.79 55.85 3a45 n ASP 215 Cb 0.17 -0.62 0.13 0.00 -0.02 0.00 0.00 41.12 40.77 3a45 n ASP 215 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a45 s SER 216 N -3.61 3.65 -0.01 -2.24 0.01 -0.78 -5.01 113.70 105.70 3a45 s SER 216 Ca 0.11 1.58 0.04 0.00 1.31 0.00 0.00 55.95 58.99 3a45 s SER 216 Cb 0.15 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 64.06 3a45 s SER 216 CO 0.51 -2.54 0.10 0.59 0.41 0.00 0.00 173.24 172.31 3a45 n ASN 217 N -3.83 3.55 -2.91 2.44 3.02 -1.26 -4.90 115.26 111.37 3a45 n ASN 217 Ca 0.07 -0.08 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 3a45 n ASN 217 Cb 0.55 1.17 0.03 0.00 -0.61 0.00 0.00 39.78 40.91 3a45 n ASN 217 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a45 n HIS 218 N -1.58 -1.86 0.23 3.10 1.44 -1.26 -4.70 115.22 110.60 3a45 n HIS 218 Ca -0.01 -2.68 0.11 0.00 -2.01 0.00 0.00 57.72 53.14 3a45 n HIS 218 Cb 0.10 0.84 0.54 0.00 0.12 0.00 0.00 29.99 31.60 3a45 n HIS 218 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 3a45 h ILE 219 N 2.35 0.53 0.00 0.61 2.04 -1.90 -3.47 117.51 117.66 3a45 h ILE 219 Ca -0.04 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3a45 h ILE 219 Cb 1.03 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3a45 h ILE 219 CO 0.30 0.19 0.00 0.61 0.00 0.00 0.00 178.15 179.25 3a45 n GLY 220 N -0.06 2.26 0.67 5.37 0.00 -1.26 -4.98 105.19 107.19 3a45 n GLY 220 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3a45 n GLY 220 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a45 n TYR 221 N -0.68 0.19 -2.69 1.61 4.02 -1.26 -4.13 117.16 114.22 3a45 n TYR 221 Ca 0.00 -0.09 -0.07 0.00 -0.01 0.00 0.00 57.90 57.73 3a45 n TYR 221 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 3a45 n TYR 221 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3a45 n MET 222 N 0.57 1.25 0.05 -0.72 0.00 -1.26 -4.59 117.12 112.42 3a45 n MET 222 Ca 0.17 -3.00 0.18 0.00 0.00 0.00 0.00 57.70 55.06 3a45 n MET 222 Cb 0.41 -1.05 0.69 0.00 0.00 0.00 0.00 33.22 33.27 3a45 n MET 222 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 3a45 h VAL 223 N 3.27 0.74 0.00 3.17 3.04 -1.95 -0.66 116.25 123.86 3a45 h VAL 223 Ca -0.15 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 3a45 h VAL 223 Cb 1.22 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3a45 h VAL 223 CO 0.34 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.49 3a45 n ASN 224 N -4.34 0.00 -0.04 3.17 5.03 -1.26 -2.49 115.26 115.33 3a45 n ASN 224 Ca 0.07 -0.47 0.01 0.00 0.87 0.00 0.00 54.58 55.06 3a45 n ASN 224 Cb 0.51 -0.06 0.02 0.00 -1.02 0.00 0.00 39.78 39.23 3a45 n ASN 224 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a45 n LEU 225 N -1.06 1.32 -0.28 3.41 4.77 -0.26 -4.54 117.00 120.36 3a45 n LEU 225 Ca 0.13 -1.48 -0.01 0.00 -0.03 0.00 0.00 56.01 54.63 3a45 n LEU 225 Cb 0.09 -0.05 0.18 0.00 -2.33 0.00 0.00 43.42 41.30 3a45 n LEU 225 CO 0.12 0.36 1.23 -0.33 -1.33 0.00 0.00 177.39 177.44 3a45 h GLU 226 N 0.00 1.12 -0.40 3.23 5.08 -1.46 0.66 114.58 122.82 3a45 h GLU 226 Ca 0.00 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 3a45 h GLU 226 Cb 0.77 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3a45 h GLU 226 CO 0.00 0.77 0.11 -0.91 -1.00 0.00 0.00 179.01 177.98 3a45 h ASN 227 N 1.15 0.59 0.91 1.42 2.35 -1.87 -3.01 115.58 117.12 3a45 h ASN 227 Ca 0.30 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 3a45 h ASN 227 Cb -0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 3a45 h ASN 227 CO -0.06 0.65 -0.71 -0.33 -1.65 0.00 0.00 177.43 175.33 3a45 h GLU 228 N 0.49 0.00 -0.93 0.81 3.07 -1.81 -3.26 114.58 112.97 3a45 h GLU 228 Ca 0.13 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.09 3a45 h GLU 228 Cb 0.28 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.11 3a45 h GLU 228 CO -0.00 0.71 0.56 0.77 -1.40 0.00 0.00 179.01 179.65 3a45 h SER 229 N 0.00 0.82 0.35 1.42 0.02 0.46 -0.90 113.55 115.73 3a45 h SER 229 Ca -0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3a45 h SER 229 Cb 1.36 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3a45 h SER 229 CO 0.09 0.46 -0.20 -1.54 -1.14 0.00 0.00 176.83 174.51 3a45 n SER 230 N -4.66 0.67 -1.60 3.07 3.41 -1.21 -3.68 113.62 109.62 3a45 n SER 230 Ca 0.16 -0.62 0.08 0.00 -0.26 0.00 0.00 58.87 58.23 3a45 n SER 230 Cb 0.31 0.02 0.36 0.00 -0.26 0.00 0.00 64.21 64.63 3a45 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a45 n LYS 231 N -0.91 4.15 -3.86 4.33 5.02 -0.35 -4.92 118.16 121.62 3a45 n LYS 231 Ca 0.12 -2.99 -0.11 0.00 -2.02 0.00 0.00 58.31 53.31 3a45 n LYS 231 Cb 0.31 -2.05 -0.10 0.00 -0.02 0.00 0.00 35.03 33.18 3a45 n LYS 231 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3a45 s ILE 232 N -2.41 0.09 0.00 -0.18 2.07 -1.14 -5.04 121.20 114.59 3a45 s ILE 232 Ca 0.51 -0.73 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 3a45 s ILE 232 Cb 0.37 -0.54 0.00 0.00 0.13 0.00 0.00 42.46 42.42 3a45 s ILE 232 CO 0.18 -0.40 0.00 0.61 -1.91 0.00 0.00 174.94 173.42 3a45 n GLY 233 N 1.29 -0.97 3.05 1.50 0.00 -1.26 -4.95 105.19 103.86 3a45 n GLY 233 Ca -0.22 -1.66 -0.19 0.00 0.00 0.00 0.00 46.02 43.95 3a45 n GLY 233 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a45 s ARG 234 N -1.99 0.78 0.79 1.61 1.81 -1.26 -5.07 118.95 115.62 3a45 s ARG 234 Ca 0.00 -0.44 -0.11 0.00 -1.72 0.00 0.00 55.73 53.46 3a45 s ARG 234 Cb 0.00 -0.74 0.06 0.00 -0.45 0.00 0.00 34.95 33.82 3a45 s ARG 234 CO 0.00 0.20 1.09 0.15 -0.68 0.00 0.00 175.30 176.05 3a45 s LYS 235 N -0.47 2.15 -1.22 3.54 1.02 -1.26 -4.94 119.74 118.56 3a45 s LYS 235 Ca 0.02 0.97 -0.06 0.00 0.02 0.00 0.00 55.97 56.92 3a45 s LYS 235 Cb -0.05 -1.90 0.20 0.00 -0.52 0.00 0.00 37.83 35.57 3a45 s LYS 235 CO -0.00 -1.66 1.91 -1.71 -0.92 0.00 0.00 175.35 172.97 3a45 n ASN 236 N -3.51 6.41 -4.82 2.83 5.15 -1.26 -5.00 115.26 115.05 3a45 n ASN 236 Ca 0.08 -3.26 -0.33 0.00 -0.60 0.00 0.00 54.58 50.48 3a45 n ASN 236 Cb 0.54 -1.37 -0.03 0.00 -0.53 0.00 0.00 39.78 38.39 3a45 n ASN 236 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3a45 s TYR 237 N -1.28 3.26 -0.94 1.20 2.02 -1.26 -4.01 117.35 116.34 3a45 s TYR 237 Ca 0.41 1.52 -0.11 0.00 -0.37 0.00 0.00 57.07 58.53 3a45 s TYR 237 Cb 0.12 -2.89 0.01 0.00 -0.40 0.00 0.00 41.96 38.81 3a45 s TYR 237 CO -0.01 -0.53 0.63 0.72 -1.57 0.00 0.00 175.55 174.79 3a45 n HIS 238 N -1.38 -1.87 -0.18 2.71 8.25 -1.26 -4.85 115.22 116.63 3a45 n HIS 238 Ca 0.07 0.61 0.07 0.00 -0.26 0.00 0.00 57.72 58.21 3a45 n HIS 238 Cb 0.54 -2.82 0.35 0.00 1.12 0.00 0.00 29.99 29.18 3a45 n HIS 238 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3a45 h PRO 239 N -0.98 0.73 -0.17 -0.41 0.11 -1.99 -2.93 132.00 126.35 3a45 h PRO 239 Ca -0.64 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.42 3a45 h PRO 239 Cb 1.39 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3a45 h PRO 239 CO 0.41 0.48 0.00 0.09 -0.21 0.00 0.00 178.00 178.78 3a45 n ASN 240 N -4.48 1.51 -4.53 -2.05 5.03 -1.26 -4.80 115.26 104.68 3a45 n ASN 240 Ca 0.11 -1.71 -0.34 0.00 0.87 0.00 0.00 54.58 53.51 3a45 n ASN 240 Cb 0.23 -0.11 -0.12 0.00 -1.02 0.00 0.00 39.78 38.77 3a45 n ASN 240 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3a45 s ILE 241 N -1.79 3.88 -0.50 2.41 -1.09 -1.11 -5.08 121.20 117.93 3a45 s ILE 241 Ca 0.31 -0.38 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 3a45 s ILE 241 Cb 0.16 -2.67 0.15 0.00 -1.58 0.00 0.00 42.46 38.52 3a45 s ILE 241 CO 0.24 0.53 0.32 -1.00 -1.23 0.00 0.00 174.94 173.80 3a45 s HIS 242 N 0.02 2.22 0.31 3.97 3.76 -1.26 -5.01 115.29 119.29 3a45 s HIS 242 Ca 0.00 -2.64 -0.29 0.00 -0.15 0.00 0.00 55.06 51.98 3a45 s HIS 242 Cb -0.13 -1.92 -0.12 0.00 1.11 0.00 0.00 32.58 31.51 3a45 s HIS 242 CO 0.03 -0.73 1.38 -2.30 -0.85 0.00 0.00 174.74 172.26 3a45 n PRO 243 N 3.03 2.21 0.07 8.40 -0.02 -1.26 -4.92 135.00 142.50 3a45 n PRO 243 Ca 0.15 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.28 3a45 n PRO 243 Cb 0.37 -2.42 -0.14 0.00 -0.02 0.00 0.00 33.50 31.30 3a45 n PRO 243 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a45 h THR 244 N 2.83 1.42 -3.96 3.45 1.03 -1.99 -3.46 112.91 112.22 3a45 h THR 244 Ca -0.46 -3.06 -0.50 0.00 -0.01 0.00 0.00 66.41 62.38 3a45 h THR 244 Cb 1.27 2.84 0.04 0.00 -1.07 0.00 0.00 68.15 71.23 3a45 h THR 244 CO 0.69 0.87 0.46 -1.83 -0.01 0.00 0.00 175.52 175.69 3a45 s GLU 245 N -2.66 4.05 0.42 0.00 1.03 -1.26 -4.95 118.70 115.33 3a45 s GLU 245 Ca -0.04 1.67 0.23 0.00 0.03 0.00 0.00 54.97 56.86 3a45 s GLU 245 Cb 0.08 -2.56 0.48 0.00 -0.80 0.00 0.00 34.13 31.33 3a45 s GLU 245 CO 0.86 -0.28 1.65 1.57 -1.33 0.00 0.00 175.26 177.72 3a45 h LYS 246 N 2.46 0.00 -3.30 -4.83 2.10 -2.00 -3.46 116.57 107.54 3a45 h LYS 246 Ca -0.49 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.03 3a45 h LYS 246 Cb 1.23 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 32.36 3a45 h LYS 246 CO 0.62 0.14 -0.39 -2.00 -2.00 0.00 0.00 179.45 175.82 3a45 s GLU 247 N -3.26 0.58 0.08 0.07 2.56 -1.26 -4.84 118.70 112.63 3a45 s GLU 247 Ca 0.05 -0.32 -0.31 0.00 0.00 0.00 0.00 54.97 54.39 3a45 s GLU 247 Cb 0.07 0.25 -0.07 0.00 2.00 0.00 0.00 34.13 36.38 3a45 s GLU 247 CO 0.67 -0.15 1.29 0.12 -0.56 0.00 0.00 175.26 176.63 3a45 s PHE 248 N -1.44 3.31 -0.04 5.30 5.36 -1.26 -5.03 117.98 124.18 3a45 s PHE 248 Ca -0.14 1.12 0.03 0.00 -0.96 0.00 0.00 56.93 56.98 3a45 s PHE 248 Cb -0.06 -3.55 0.00 0.00 -0.34 0.00 0.00 43.02 39.07 3a45 s PHE 248 CO 0.02 -1.83 -0.12 -0.51 -1.46 0.00 0.00 175.22 171.32 3a45 s ASP 249 N 1.14 1.65 -0.10 6.13 -0.00 -1.26 -4.91 116.67 119.32 3a45 s ASP 249 Ca 0.62 -0.27 -0.30 0.00 -0.00 0.00 0.00 52.55 52.60 3a45 s ASP 249 Cb -0.33 -0.53 -0.04 0.00 -0.00 0.00 0.00 42.92 42.02 3a45 s ASP 249 CO 0.29 0.08 1.47 -0.36 -0.00 0.00 0.00 175.17 176.65 3a45 s PHE 250 N 0.27 2.41 -0.05 4.23 0.08 -1.26 -4.88 117.98 118.78 3a45 s PHE 250 Ca -0.06 0.59 0.13 0.00 0.12 0.00 0.00 56.93 57.70 3a45 s PHE 250 Cb -0.11 -3.72 -0.22 0.00 -0.57 0.00 0.00 43.02 38.40 3a45 s PHE 250 CO 0.02 -2.83 0.69 -0.07 -0.10 0.00 0.00 175.22 172.93 3a45 h LEU 251 N 9.90 0.00 0.00 -0.37 4.07 -1.97 -3.43 115.31 123.51 3a45 h LEU 251 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.62 3a45 h LEU 251 Cb 1.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.88 3a45 h LEU 251 CO 0.96 0.95 0.00 1.33 -1.08 0.00 0.00 178.44 180.60 3a45 n VAL 252 N -3.03 0.00 -1.59 1.22 0.24 -1.26 -4.14 118.33 109.77 3a45 n VAL 252 Ca -0.16 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.70 3a45 n VAL 252 Cb 1.03 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.36 3a45 n VAL 252 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a45 n TYR 253 N -0.12 2.00 -2.62 6.34 4.19 -1.26 -1.64 117.16 124.05 3a45 n TYR 253 Ca 0.00 -0.09 -0.21 0.00 3.31 0.00 0.00 57.90 60.91 3a45 n TYR 253 Cb 0.00 -2.70 0.01 0.00 0.49 0.00 0.00 39.34 37.13 3a45 n TYR 253 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3a45 n ARG 254 N 8.37 -2.83 -4.25 2.98 1.74 -1.26 -4.91 116.66 116.50 3a45 n ARG 254 Ca 0.30 0.96 -0.28 0.00 -0.77 0.00 0.00 57.85 58.06 3a45 n ARG 254 Cb 0.40 -5.68 -0.09 0.00 -1.02 0.00 0.00 32.46 26.07 3a45 n ARG 254 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3a45 s LYS 255 N -5.27 2.14 0.15 5.56 -0.14 -0.65 -5.03 119.74 116.50 3a45 s LYS 255 Ca 0.11 -1.15 0.17 0.00 -1.36 0.00 0.00 55.97 53.74 3a45 s LYS 255 Cb -0.05 -2.25 -0.05 0.00 -1.68 0.00 0.00 37.83 33.80 3a45 s LYS 255 CO 0.14 0.47 1.05 -0.22 -0.76 0.00 0.00 175.35 176.03 3a45 h LYS 256 N 3.14 0.00 -3.49 1.68 3.64 -1.88 -3.42 116.57 116.25 3a45 h LYS 256 Ca -0.48 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.78 3a45 h LYS 256 Cb 1.19 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.82 3a45 h LYS 256 CO 0.54 0.33 -0.43 0.15 -2.27 0.00 0.00 179.45 177.76 3a45 s LYS 257 N -2.98 0.59 0.92 1.90 1.02 -1.26 -1.24 119.74 118.69 3a45 s LYS 257 Ca -0.00 -0.48 -0.15 0.00 0.02 0.00 0.00 55.97 55.36 3a45 s LYS 257 Cb 0.08 0.25 0.17 0.00 -0.52 0.00 0.00 37.83 37.81 3a45 s LYS 257 CO 0.79 -0.16 1.28 0.16 -0.92 0.00 0.00 175.35 176.51 3a45 s ASP 258 N -1.68 3.47 0.21 2.83 -4.77 -0.07 -4.86 116.67 111.80 3a45 s ASP 258 Ca -0.11 0.39 -0.15 0.00 -3.30 0.00 0.00 52.55 49.38 3a45 s ASP 258 Cb -0.05 -0.54 0.23 0.00 -1.09 0.00 0.00 42.92 41.47 3a45 s ASP 258 CO -0.00 -2.52 1.61 -0.65 0.70 0.00 0.00 175.17 174.31 3a45 h PRO 259 N -1.49 -0.04 0.54 2.11 0.11 -1.91 -2.72 132.00 128.61 3a45 h PRO 259 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3a45 h PRO 259 Cb 1.26 0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.38 3a45 h PRO 259 CO 0.45 -0.03 -0.26 -0.91 -0.21 0.00 0.00 178.00 177.04 3a45 h ASN 260 N -0.04 -0.61 0.00 -2.05 2.35 -1.96 -3.47 115.58 109.80 3a45 h ASN 260 Ca 0.30 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3a45 h ASN 260 Cb 0.51 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3a45 h ASN 260 CO -0.69 -0.37 0.00 0.61 -1.65 0.00 0.00 177.43 175.33 3a45 n GLY 261 N -1.14 0.13 3.54 2.83 0.00 -1.02 -5.14 105.19 104.38 3a45 n GLY 261 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3a45 n GLY 261 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a45 n ASN 262 N 0.00 -0.25 -4.79 1.61 5.03 -1.26 -4.57 115.26 111.02 3a45 n ASN 262 Ca 0.00 0.70 -0.36 0.00 0.87 0.00 0.00 54.58 55.79 3a45 n ASN 262 Cb 0.00 -1.29 -0.07 0.00 -1.02 0.00 0.00 39.78 37.40 3a45 n ASN 262 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3a45 s LYS 263 N -2.71 4.46 -0.19 3.52 2.20 -1.26 -0.89 119.74 124.86 3a45 s LYS 263 Ca 0.71 1.23 -0.04 0.00 -0.36 0.00 0.00 55.97 57.51 3a45 s LYS 263 Cb -0.39 -2.65 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 3a45 s LYS 263 CO 0.52 0.21 -0.02 0.08 -0.36 0.00 0.00 175.35 175.79 3a45 s VAL 264 N -1.75 3.83 -0.22 4.02 1.01 -0.37 -4.13 120.40 122.79 3a45 s VAL 264 Ca 0.52 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 3a45 s VAL 264 Cb -0.16 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3a45 s VAL 264 CO 0.21 0.44 0.63 -0.63 0.00 0.00 0.00 175.10 175.75 3a45 s ILE 265 N 0.90 5.01 -1.28 2.22 -1.09 0.11 -4.82 121.20 122.24 3a45 s ILE 265 Ca 0.00 1.17 -0.15 0.00 -2.23 0.00 0.00 60.65 59.44 3a45 s ILE 265 Cb -0.14 -3.94 0.12 0.00 -1.58 0.00 0.00 42.46 36.91 3a45 s ILE 265 CO 0.02 0.08 1.70 0.00 -1.23 0.00 0.00 174.94 175.50 3a45 n ALA 266 N 5.30 4.11 -2.71 9.38 0.00 -1.26 -2.69 120.51 132.64 3a45 n ALA 266 Ca -0.01 -4.06 -0.39 0.00 0.00 0.00 0.00 53.44 48.99 3a45 n ALA 266 Cb 0.49 -3.32 -0.06 0.00 0.00 0.00 0.00 19.45 16.56 3a45 n ALA 266 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3a45 s ASP 267 N 3.19 6.74 -0.81 0.00 3.68 0.12 -4.84 116.67 124.75 3a45 s ASP 267 Ca 0.47 0.89 -0.15 0.00 2.13 0.00 0.00 52.55 55.89 3a45 s ASP 267 Cb 0.03 -2.32 0.19 0.00 -1.45 0.00 0.00 42.92 39.37 3a45 s ASP 267 CO 0.02 -0.08 0.80 -0.54 0.13 0.00 0.00 175.17 175.50 3a45 s LYS 268 N 0.93 3.52 -0.20 4.34 1.02 -1.26 0.11 119.74 128.19 3a45 s LYS 268 Ca 0.29 -2.22 -0.16 0.00 0.02 0.00 0.00 55.97 53.89 3a45 s LYS 268 Cb -0.16 -4.49 -0.12 0.00 -0.52 0.00 0.00 37.83 32.55 3a45 s LYS 268 CO 0.12 -1.39 -0.07 -0.89 -0.92 0.00 0.00 175.35 172.21 3a45 n ILE 269 N 4.41 1.49 -4.07 2.17 5.41 -1.25 -5.00 119.36 122.52 3a45 n ILE 269 Ca 0.12 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.65 3a45 n ILE 269 Cb 0.46 -2.15 -0.04 0.00 -0.71 0.00 0.00 39.64 37.20 3a45 n ILE 269 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 3a45 s ILE 270 N -2.41 4.39 0.00 1.39 -5.25 -1.26 -5.04 121.20 113.02 3a45 s ILE 270 Ca -0.26 -1.37 0.00 0.00 -0.99 0.00 0.00 60.65 58.02 3a45 s ILE 270 Cb 0.06 -3.41 0.00 0.00 2.95 0.00 0.00 42.46 42.06 3a45 s ILE 270 CO 0.44 -0.33 0.00 0.61 -1.79 0.00 0.00 174.94 173.88 3a45 n GLY 271 N -1.22 -0.40 3.08 6.27 0.00 -1.26 -2.29 105.19 109.37 3a45 n GLY 271 Ca -0.07 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.15 3a45 n GLY 271 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a45 s SER 272 N -2.02 1.25 1.07 1.61 0.15 -1.26 -4.38 113.70 110.11 3a45 s SER 272 Ca 0.00 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3a45 s SER 272 Cb 0.00 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 3a45 s SER 272 CO 0.00 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.06 3a45 n GLY 273 N 2.16 3.08 0.12 9.45 0.00 -1.26 -1.01 105.19 117.73 3a45 n GLY 273 Ca -0.17 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 45.86 3a45 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3a45 n LYS 274 N 14.00 0.10 0.00 1.61 3.00 -1.26 -1.34 118.16 134.27 3a45 n LYS 274 Ca 0.00 0.59 0.11 0.00 -0.00 0.00 0.00 58.31 59.02 3a45 n LYS 274 Cb 0.00 -1.85 0.10 0.00 0.00 0.00 0.00 35.03 33.28 3a45 n LYS 274 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3a45 n ASN 275 N -2.03 1.24 -4.75 3.14 5.03 -0.18 -4.95 115.26 112.76 3a45 n ASN 275 Ca -0.01 -1.01 -0.41 0.00 0.87 0.00 0.00 54.58 54.02 3a45 n ASN 275 Cb 0.05 0.50 -0.03 0.00 -1.02 0.00 0.00 39.78 39.28 3a45 n ASN 275 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 3a45 s LYS 276 N -2.72 4.35 0.10 3.52 2.20 -0.45 -4.32 119.74 122.42 3a45 s LYS 276 Ca 0.16 2.17 0.04 0.00 -0.36 0.00 0.00 55.97 57.97 3a45 s LYS 276 Cb 0.18 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 3a45 s LYS 276 CO 0.67 -0.26 -0.10 1.03 -0.36 0.00 0.00 175.35 176.32 3a45 s ARG 277 N -0.82 0.86 -0.28 4.03 1.81 -0.97 -4.95 118.95 118.63 3a45 s ARG 277 Ca 0.54 -1.16 -0.11 0.00 -1.72 0.00 0.00 55.73 53.28 3a45 s ARG 277 Cb -0.39 -0.57 -0.04 0.00 -0.45 0.00 0.00 34.95 33.50 3a45 s ARG 277 CO 0.45 0.09 0.18 0.99 -0.68 0.00 0.00 175.30 176.33 3a45 s THR 278 N -2.41 5.20 -0.17 0.02 2.01 -1.26 -3.92 115.64 115.11 3a45 s THR 278 Ca 0.06 0.08 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 3a45 s THR 278 Cb -0.03 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 3a45 s THR 278 CO 0.00 0.23 0.32 -0.89 -0.69 0.00 0.00 174.62 173.58 3a45 s THR 279 N 1.74 5.28 -0.16 -0.82 2.01 0.29 -4.90 115.64 119.08 3a45 s THR 279 Ca 0.07 0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.57 3a45 s THR 279 Cb -0.16 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3a45 s THR 279 CO 0.10 0.35 0.09 -0.31 -0.69 0.00 0.00 174.62 174.17 3a45 s TYR 280 N 0.69 3.37 -0.04 4.92 2.02 -1.26 -0.71 117.35 126.35 3a45 s TYR 280 Ca 0.17 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.83 3a45 s TYR 280 Cb -0.13 -2.02 0.07 0.00 -0.40 0.00 0.00 41.96 39.47 3a45 s TYR 280 CO 0.05 0.38 0.69 1.67 -1.57 0.00 0.00 175.55 176.77 3a45 s TRP 281 N -0.15 -0.64 -0.43 2.71 1.48 -1.10 -4.77 118.94 116.04 3a45 s TRP 281 Ca 0.09 1.05 -0.10 0.00 -1.06 0.00 0.00 56.10 56.07 3a45 s TRP 281 Cb -0.12 0.42 0.08 0.00 -1.16 0.00 0.00 33.47 32.69 3a45 s TRP 281 CO 0.01 -0.62 0.28 0.00 -4.06 0.00 0.00 176.95 172.56 3a45 s ALA 282 N -1.38 3.33 0.61 2.67 0.00 -1.26 0.04 121.76 125.76 3a45 s ALA 282 Ca -0.10 -2.15 0.28 0.00 0.00 0.00 0.00 51.96 49.99 3a45 s ALA 282 Cb -0.00 -2.72 1.44 0.00 0.00 0.00 0.00 23.12 21.84 3a45 s ALA 282 CO 0.08 -1.67 1.84 -1.35 0.00 0.00 0.00 175.76 174.67 3a45 h PRO 283 N 8.46 0.00 -0.52 0.00 0.11 -1.80 0.55 132.00 138.79 3a45 h PRO 283 Ca -0.24 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.78 3a45 h PRO 283 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3a45 h PRO 283 CO 0.78 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 178.52 3a45 h ALA 284 N 1.34 0.94 0.03 -0.75 0.00 -1.93 -3.34 119.26 115.55 3a45 h ALA 284 Ca 0.18 -0.31 -0.38 0.00 0.00 0.00 0.00 54.91 54.40 3a45 h ALA 284 Cb 1.21 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3a45 h ALA 284 CO -0.00 0.63 -2.26 -0.89 0.00 0.00 0.00 179.25 176.72 3a45 n ILE 285 N -4.17 1.58 -3.05 0.00 -0.00 0.04 -4.88 119.36 108.88 3a45 n ILE 285 Ca 0.02 -0.51 -0.43 0.00 -0.00 0.00 0.00 62.75 61.83 3a45 n ILE 285 Cb 0.35 -1.63 -0.06 0.00 -0.00 0.00 0.00 39.64 38.30 3a45 n ILE 285 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 3a45 s GLN 286 N -2.51 3.44 0.19 0.38 -0.21 -0.38 -4.65 119.66 115.92 3a45 s GLN 286 Ca -0.32 -0.14 0.08 0.00 0.02 0.00 0.00 55.36 55.01 3a45 s GLN 286 Cb 0.09 -3.91 -0.04 0.00 1.00 0.00 0.00 33.01 30.15 3a45 s GLN 286 CO 0.62 -0.98 -0.04 0.15 -2.12 0.00 0.00 175.29 172.92 3a45 s LYS 287 N 2.99 2.24 0.19 2.91 -0.14 -1.12 -4.14 119.74 122.66 3a45 s LYS 287 Ca 0.26 -1.22 0.26 0.00 -1.36 0.00 0.00 55.97 53.91 3a45 s LYS 287 Cb -0.13 -2.24 0.86 0.00 -1.68 0.00 0.00 37.83 34.63 3a45 s LYS 287 CO 0.19 0.43 1.78 1.28 -0.76 0.00 0.00 175.35 178.28 3a45 n LEU 288 N -0.15 0.73 0.00 3.17 4.77 -1.26 -2.27 117.00 121.99 3a45 n LEU 288 Ca -0.10 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 3a45 n LEU 288 Cb 0.56 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3a45 n LEU 288 CO 0.37 -0.19 0.00 1.21 -1.33 0.00 0.00 177.39 177.45