#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c18 n GLU 2 N 0.00 0.00 0.08 1.61 0.00 -1.26 -0.93 120.64 120.14 3c18 n GLU 2 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 3c18 n GLU 2 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 31.44 31.47 3c18 n GLU 2 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 3c18 h GLN 3 N 0.00 0.21 0.00 5.31 4.15 -2.03 -1.68 115.11 121.07 3c18 h GLN 3 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.22 3c18 h GLN 3 Cb 0.00 0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.74 3c18 h GLN 3 CO 0.00 0.90 0.00 0.00 -1.93 0.00 0.00 178.83 177.80 3c18 h ALA 4 N 1.03 1.00 -0.04 3.38 0.00 -1.50 -3.19 119.26 119.95 3c18 h ALA 4 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3c18 h ALA 4 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3c18 h ALA 4 CO 0.12 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.62 3c18 n THR 5 N -2.71 0.26 -0.28 0.00 -2.24 -1.16 -4.79 114.28 103.36 3c18 n THR 5 Ca 0.03 -0.63 0.05 0.00 -2.27 0.00 0.00 64.05 61.23 3c18 n THR 5 Cb 0.40 0.93 0.20 0.00 -2.10 0.00 0.00 70.33 69.76 3c18 n THR 5 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3c18 h ARG 6 N 0.81 0.62 0.00 -0.78 2.43 -1.29 0.93 114.38 117.09 3c18 h ARG 6 Ca 0.00 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3c18 h ARG 6 Cb 0.28 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3c18 h ARG 6 CO 0.00 0.41 -0.09 1.15 -1.51 0.00 0.00 179.97 179.93 3c18 h THR 7 N 0.63 0.43 0.05 0.20 2.02 -1.86 -1.31 112.91 113.06 3c18 h THR 7 Ca 0.43 -0.45 -0.29 0.00 0.77 0.00 0.00 66.41 66.87 3c18 h THR 7 Cb 0.55 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3c18 h THR 7 CO -0.33 0.09 -1.55 -0.38 0.37 0.00 0.00 175.52 173.71 3c18 n ILE 8 N -3.51 1.64 0.13 3.11 5.41 0.18 -4.53 119.36 121.79 3c18 n ILE 8 Ca -0.02 -0.27 0.10 0.00 1.00 0.00 0.00 62.75 63.56 3c18 n ILE 8 Cb 0.22 -1.93 0.04 0.00 -0.71 0.00 0.00 39.64 37.27 3c18 n ILE 8 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 176.55 176.65 3c18 h TYR 9 N -0.58 0.00 -0.92 1.39 -0.00 -0.89 -3.38 116.97 112.59 3c18 h TYR 9 Ca -0.38 0.00 0.09 0.00 0.00 0.00 0.00 58.73 58.44 3c18 h TYR 9 Cb 1.59 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 38.26 3c18 h TYR 9 CO 0.09 0.08 0.59 0.77 -0.00 0.00 0.00 178.16 179.69 3c18 h SER 10 N 0.00 0.86 1.09 0.10 0.02 -1.48 0.16 113.55 114.30 3c18 h SER 10 Ca -0.01 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3c18 h SER 10 Cb 1.07 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 3c18 h SER 10 CO 0.01 0.51 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.74 3c18 h GLU 11 N 0.95 0.00 -0.12 3.45 4.39 -1.84 -1.76 114.58 119.65 3c18 h GLU 11 Ca 0.42 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.89 3c18 h GLU 11 Cb 0.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3c18 h GLU 11 CO -0.18 0.14 -0.81 1.88 -1.16 0.00 0.00 179.01 178.87 3c18 h TYR 12 N 0.00 1.06 0.00 4.33 0.05 -0.97 -2.36 116.97 119.08 3c18 h TYR 12 Ca -0.00 -0.49 -0.03 0.00 0.05 0.00 0.00 58.73 58.26 3c18 h TYR 12 Cb 0.73 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.31 3c18 h TYR 12 CO 0.00 1.32 -0.13 0.00 -1.05 0.00 0.00 178.16 178.30 3c18 h ALA 13 N 0.52 1.70 0.00 3.88 0.00 -0.86 -2.42 119.26 122.07 3c18 h ALA 13 Ca -0.07 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 3c18 h ALA 13 Cb 1.45 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3c18 h ALA 13 CO 0.17 0.16 -0.82 0.00 0.00 0.00 0.00 179.25 178.76 3c18 h ALA 14 N 1.87 0.51 -2.53 0.00 0.00 -1.09 -3.45 119.26 114.58 3c18 h ALA 14 Ca -0.00 -0.73 -0.53 0.00 0.00 0.00 0.00 54.91 53.65 3c18 h ALA 14 Cb 0.24 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3c18 h ALA 14 CO 0.02 0.98 0.64 -0.47 0.00 0.00 0.00 179.25 180.41 3c18 s TYR 15 N -2.82 3.35 0.21 0.00 5.04 -0.91 -4.88 117.35 117.33 3c18 s TYR 15 Ca 0.02 1.15 0.34 0.00 -2.44 0.00 0.00 57.07 56.15 3c18 s TYR 15 Cb 0.09 -3.54 1.50 0.00 0.35 0.00 0.00 41.96 40.35 3c18 s TYR 15 CO 0.79 -1.78 2.04 -1.35 -1.34 0.00 0.00 175.55 173.90 3c18 h PRO 16 N 6.63 0.00 -0.00 4.97 0.11 -1.86 -2.40 132.00 139.45 3c18 h PRO 16 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3c18 h PRO 16 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3c18 h PRO 16 CO 0.83 0.02 -0.06 0.39 -0.21 0.00 0.00 178.00 178.97 3c18 n GLU 17 N -3.14 0.63 -2.53 1.05 -0.58 -1.26 -4.82 120.64 109.99 3c18 n GLU 17 Ca -0.00 -0.13 -0.42 0.00 -0.42 0.00 0.00 57.16 56.19 3c18 n GLU 17 Cb 0.28 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.62 3c18 n GLU 17 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3c18 s THR 18 N -2.46 4.36 -0.18 2.62 2.01 -0.90 -0.78 115.64 120.31 3c18 s THR 18 Ca 0.31 1.69 0.09 0.00 0.31 0.00 0.00 61.69 64.08 3c18 s THR 18 Cb 0.20 -4.08 -0.17 0.00 0.01 0.00 0.00 72.50 68.46 3c18 s THR 18 CO 0.46 0.11 -0.04 0.00 -0.69 0.00 0.00 174.62 174.46 3c18 n GLN 19 N 4.12 1.03 -3.46 4.92 1.13 -0.05 -4.49 117.38 120.58 3c18 n GLN 19 Ca 0.08 0.04 -0.14 0.00 -1.94 0.00 0.00 57.00 55.04 3c18 n GLN 19 Cb 0.48 -1.41 -0.04 0.00 0.11 0.00 0.00 30.24 29.38 3c18 n GLN 19 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3c18 s GLY 20 N -5.38 -0.59 -0.05 1.08 0.00 -1.09 -0.65 107.32 100.64 3c18 s GLY 20 Ca -0.16 0.77 -0.02 0.00 0.00 0.00 0.00 44.72 45.31 3c18 s GLY 20 CO 0.58 0.43 0.04 -0.42 0.00 0.00 0.00 173.10 173.74 3c18 s ILE 21 N -2.82 0.01 -0.06 0.90 1.01 0.80 -0.91 121.20 120.12 3c18 s ILE 21 Ca -0.03 0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.99 3c18 s ILE 21 Cb -0.01 -0.23 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 3c18 s ILE 21 CO -0.05 0.19 -0.13 -0.63 0.00 0.00 0.00 174.94 174.33 3c18 s ILE 22 N 2.05 3.19 -0.08 2.92 -1.09 -0.38 -0.37 121.20 127.44 3c18 s ILE 22 Ca 0.04 -0.67 0.02 0.00 -2.23 0.00 0.00 60.65 57.81 3c18 s ILE 22 Cb -0.12 -2.27 -0.02 0.00 -1.58 0.00 0.00 42.46 38.47 3c18 s ILE 22 CO -0.03 0.59 -0.13 0.00 -1.23 0.00 0.00 174.94 174.13 3c18 s ALA 23 N -0.65 2.68 -0.10 9.38 0.00 0.83 -1.29 121.76 132.61 3c18 s ALA 23 Ca 0.10 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3c18 s ALA 23 Cb -0.11 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.94 3c18 s ALA 23 CO 0.01 0.44 -0.10 0.08 0.00 0.00 0.00 175.76 176.19 3c18 s VAL 24 N -0.31 1.13 0.20 0.00 1.01 -0.40 -0.54 120.40 121.49 3c18 s VAL 24 Ca 0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 3c18 s VAL 24 Cb -0.13 -1.09 -0.08 0.00 0.00 0.00 0.00 36.38 35.09 3c18 s VAL 24 CO 0.03 0.37 0.66 -0.70 0.00 0.00 0.00 175.10 175.46 3c18 s GLU 25 N 1.26 4.14 0.48 2.72 2.12 -1.26 -1.12 118.70 127.04 3c18 s GLU 25 Ca -0.03 0.72 -0.24 0.00 0.36 0.00 0.00 54.97 55.78 3c18 s GLU 25 Cb -0.14 -2.87 -0.07 0.00 0.26 0.00 0.00 34.13 31.31 3c18 s GLU 25 CO -0.04 0.41 1.38 -1.59 -0.54 0.00 0.00 175.26 174.88 3c18 s LYS 26 N -2.03 3.55 0.03 4.30 -2.85 -0.13 -4.89 119.74 117.71 3c18 s LYS 26 Ca 0.42 2.30 0.23 0.00 -1.00 0.00 0.00 55.97 57.91 3c18 s LYS 26 Cb -0.16 -2.53 0.08 0.00 -2.06 0.00 0.00 37.83 33.17 3c18 s LYS 26 CO 0.20 -0.89 1.07 0.54 0.10 0.00 0.00 175.35 176.38 3c18 n ARG 27 N -0.44 0.18 -3.76 1.78 1.74 -1.26 -4.99 116.66 109.91 3c18 n ARG 27 Ca 0.07 -0.01 -0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3c18 n ARG 27 Cb 0.43 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 30.31 3c18 n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3c18 s GLN 28 N -3.12 1.12 0.41 5.56 -2.07 -1.26 -5.11 119.66 115.19 3c18 s GLN 28 Ca 0.06 -0.64 -0.26 0.00 -1.82 0.00 0.00 55.36 52.70 3c18 s GLN 28 Cb 0.15 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.36 3c18 s GLN 28 CO 0.80 -0.52 1.30 -2.14 -1.32 0.00 0.00 175.29 173.41 3c18 s PRO 29 N -3.03 3.94 -1.36 9.60 0.02 -1.26 -3.13 135.00 139.79 3c18 s PRO 29 Ca 0.14 2.15 -0.03 0.00 0.02 0.00 0.00 61.00 63.28 3c18 s PRO 29 Cb -0.01 -2.74 0.02 0.00 0.02 0.00 0.00 34.50 31.79 3c18 s PRO 29 CO 0.02 -0.51 0.76 0.54 -0.33 0.00 0.00 177.00 177.48 3c18 n ARG 30 N 0.09 -5.06 -2.61 5.54 1.74 -1.26 -4.91 116.66 110.19 3c18 n ARG 30 Ca 0.04 0.61 -0.43 0.00 -0.77 0.00 0.00 57.85 57.30 3c18 n ARG 30 Cb 0.44 -5.24 -0.02 0.00 -1.02 0.00 0.00 32.46 26.62 3c18 n ARG 30 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3c18 s ASP 31 N -4.13 7.07 0.54 0.55 -1.08 -1.18 -4.76 116.67 113.68 3c18 s ASP 31 Ca 0.15 1.45 0.32 0.00 -0.52 0.00 0.00 52.55 53.94 3c18 s ASP 31 Cb -0.07 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.37 3c18 s ASP 31 CO 0.82 -0.69 2.07 0.77 0.52 0.00 0.00 175.17 178.66 3c18 h SER 32 N 7.61 0.00 -0.48 -0.34 4.64 -1.93 0.23 113.55 123.28 3c18 h SER 32 Ca -0.21 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 3c18 h SER 32 Cb 1.07 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 3c18 h SER 32 CO 0.98 0.08 0.32 0.25 -0.87 0.00 0.00 176.83 177.59 3c18 h LEU 33 N 0.00 0.50 -3.06 5.97 5.85 -1.98 -2.01 115.31 120.59 3c18 h LEU 33 Ca -0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3c18 h LEU 33 Cb 0.38 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3c18 h LEU 33 CO 0.01 0.35 -0.25 0.35 -0.34 0.00 0.00 178.44 178.56 3c18 n THR 34 N -4.47 2.15 -1.72 1.05 -2.24 -0.90 -4.95 114.28 103.19 3c18 n THR 34 Ca 0.05 -2.77 -0.15 0.00 -2.27 0.00 0.00 64.05 58.91 3c18 n THR 34 Cb 0.11 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.05 3c18 n THR 34 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3c18 n ASP 35 N -1.19 -4.65 -0.75 3.42 8.00 -0.75 -1.11 116.55 119.51 3c18 n ASP 35 Ca 0.20 0.23 -0.10 0.00 0.71 0.00 0.00 54.79 55.83 3c18 n ASP 35 Cb 0.73 -3.57 -0.04 0.00 -0.02 0.00 0.00 41.12 38.22 3c18 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3c18 n GLN 36 N -2.52 -0.93 -3.36 -1.24 3.00 0.78 -4.98 117.38 108.13 3c18 n GLN 36 Ca -0.16 0.80 -0.22 0.00 -0.01 0.00 0.00 57.00 57.41 3c18 n GLN 36 Cb 0.53 -4.80 0.04 0.00 0.00 0.00 0.00 30.24 26.02 3c18 n GLN 36 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3c18 s PHE 37 N -2.24 1.34 -0.02 1.08 0.40 -0.27 -4.69 117.98 113.58 3c18 s PHE 37 Ca 0.00 -0.81 -0.10 0.00 -0.60 0.00 0.00 56.93 55.42 3c18 s PHE 37 Cb 0.00 -2.08 -0.31 0.00 0.51 0.00 0.00 43.02 41.14 3c18 s PHE 37 CO 0.00 -0.98 0.77 -0.44 0.70 0.00 0.00 175.22 175.27 3c18 h ASP 38 N 0.34 0.61 -3.64 1.36 3.32 -1.11 -3.42 116.42 113.88 3c18 h ASP 38 Ca -0.31 -0.84 -0.27 0.00 0.02 0.00 0.00 57.03 55.63 3c18 h ASP 38 Cb 1.30 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.34 3c18 h ASP 38 CO 0.46 1.70 -0.73 -0.69 -1.72 0.00 0.00 179.24 178.27 3c18 s VAL 39 N -2.59 -0.00 -0.20 -1.35 1.01 -0.99 -0.96 120.40 115.32 3c18 s VAL 39 Ca -0.13 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3c18 s VAL 39 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 36.35 3c18 s VAL 39 CO 0.87 0.05 -0.02 -0.22 0.00 0.00 0.00 175.10 175.78 3c18 s LEU 40 N 0.47 3.14 -0.19 3.92 0.20 -0.27 -1.24 118.68 124.71 3c18 s LEU 40 Ca -0.04 -0.25 -0.08 0.00 0.69 0.00 0.00 54.13 54.45 3c18 s LEU 40 Cb -0.06 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.87 3c18 s LEU 40 CO -0.01 0.06 0.09 -0.76 -0.29 0.00 0.00 176.35 175.43 3c18 s LEU 41 N 1.02 3.97 -0.29 -0.68 1.43 0.98 -1.27 118.68 123.84 3c18 s LEU 41 Ca 0.01 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 3c18 s LEU 41 Cb -0.14 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.07 3c18 s LEU 41 CO 0.01 0.17 0.08 -0.22 0.23 0.00 0.00 176.35 176.63 3c18 s LEU 42 N 0.38 3.83 -0.27 1.79 2.96 -0.41 0.13 118.68 127.08 3c18 s LEU 42 Ca 0.05 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 3c18 s LEU 42 Cb -0.12 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.68 3c18 s LEU 42 CO -0.01 -0.18 0.03 -0.69 -1.32 0.00 0.00 176.35 174.18 3c18 s VAL 43 N 1.52 3.70 -0.21 1.68 1.01 0.29 -1.25 120.40 127.13 3c18 s VAL 43 Ca 0.03 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 3c18 s VAL 43 Cb -0.17 -2.84 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 3c18 s VAL 43 CO 0.03 0.21 0.19 -0.63 0.00 0.00 0.00 175.10 174.90 3c18 s ILE 44 N 1.48 5.35 0.08 2.22 -1.09 -0.09 -1.18 121.20 127.97 3c18 s ILE 44 Ca 0.03 0.29 0.01 0.00 -2.23 0.00 0.00 60.65 58.75 3c18 s ILE 44 Cb -0.16 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3c18 s ILE 44 CO 0.00 0.37 -0.05 0.28 -1.23 0.00 0.00 174.94 174.31 3c18 s THR 45 N 0.80 0.54 -0.91 2.92 -1.32 -0.33 -0.87 115.64 116.47 3c18 s THR 45 Ca 0.10 -1.88 0.16 0.00 -1.21 0.00 0.00 61.69 58.87 3c18 s THR 45 Cb -0.13 -1.61 0.57 0.00 -1.51 0.00 0.00 72.50 69.82 3c18 s THR 45 CO 0.03 -0.90 1.48 0.54 -2.21 0.00 0.00 174.62 173.56 3c18 n ARG 46 N 0.04 3.30 -1.66 7.08 1.74 0.04 -0.84 116.66 126.37 3c18 n ARG 46 Ca -0.13 -2.65 -0.49 0.00 -0.77 0.00 0.00 57.85 53.82 3c18 n ARG 46 Cb 0.61 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 30.30 3c18 n ARG 46 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3c18 n ASP 47 N 0.64 3.29 0.21 0.55 -0.08 -1.26 -4.84 116.55 115.05 3c18 n ASP 47 Ca 0.21 0.87 0.15 0.00 -1.51 0.00 0.00 54.79 54.51 3c18 n ASP 47 Cb 0.76 -1.37 0.56 0.00 2.34 0.00 0.00 41.12 43.41 3c18 n ASP 47 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3c18 h PRO 48 N 9.89 0.00 -0.00 -0.67 0.13 -1.99 -2.53 132.00 136.82 3c18 h PRO 48 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3c18 h PRO 48 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3c18 h PRO 48 CO 0.96 0.00 -0.02 -1.13 -0.23 0.00 0.00 178.00 177.57 3c18 n SER 49 N -2.71 0.07 -4.62 1.44 3.41 -1.26 -4.85 113.62 105.10 3c18 n SER 49 Ca 0.02 -0.17 -0.34 0.00 -0.26 0.00 0.00 58.87 58.12 3c18 n SER 49 Cb 0.30 -0.26 -0.10 0.00 -0.26 0.00 0.00 64.21 63.88 3c18 n SER 49 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3c18 s VAL 50 N -2.59 4.20 0.00 -3.33 1.01 -0.96 -4.98 120.40 113.75 3c18 s VAL 50 Ca 0.27 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3c18 s VAL 50 Cb 0.20 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3c18 s VAL 50 CO 0.47 0.56 0.00 1.21 0.00 0.00 0.00 175.10 177.34 3c18 n GLU 51 N 2.63 0.00 -3.66 2.72 2.13 -1.26 -4.40 120.64 118.79 3c18 n GLU 51 Ca -0.18 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.56 3c18 n GLU 51 Cb 0.53 -0.12 -0.08 0.00 0.27 0.00 0.00 31.44 32.04 3c18 n GLU 51 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3c18 s TRP 52 N -0.54 -0.90 0.19 4.31 -0.00 -1.26 -0.90 118.94 119.84 3c18 s TRP 52 Ca 0.00 1.78 -0.08 0.00 -0.00 0.00 0.00 56.10 57.79 3c18 s TRP 52 Cb 0.00 0.48 -0.01 0.00 -0.00 0.00 0.00 33.47 33.94 3c18 s TRP 52 CO 0.00 -0.47 0.30 -0.08 -0.00 0.00 0.00 176.95 176.69 3c18 s THR 53 N 1.83 0.04 0.01 5.86 -1.32 0.33 -5.00 115.64 117.39 3c18 s THR 53 Ca -0.08 -1.49 0.03 0.00 -1.21 0.00 0.00 61.69 58.93 3c18 s THR 53 Cb -0.08 -2.02 -0.01 0.00 -1.51 0.00 0.00 72.50 68.88 3c18 s THR 53 CO -0.16 -0.20 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.27 3c18 s VAL 54 N -4.01 0.70 0.04 5.08 1.01 -1.26 -1.11 120.40 120.85 3c18 s VAL 54 Ca 0.22 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.66 3c18 s VAL 54 Cb 0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3c18 s VAL 54 CO 0.04 0.05 -0.16 -0.54 0.00 0.00 0.00 175.10 174.49 3c18 s LYS 55 N -0.59 1.06 -0.13 2.72 1.02 -0.07 -5.00 119.74 118.75 3c18 s LYS 55 Ca 0.01 -0.78 0.02 0.00 0.02 0.00 0.00 55.97 55.24 3c18 s LYS 55 Cb -0.05 -1.09 0.01 0.00 -0.52 0.00 0.00 37.83 36.18 3c18 s LYS 55 CO 0.00 0.28 -0.17 -1.01 -0.92 0.00 0.00 175.35 173.52 3c18 s HIS 56 N -0.79 2.25 0.25 3.18 3.76 -1.26 -0.73 115.29 121.95 3c18 s HIS 56 Ca 0.03 -1.13 0.05 0.00 -0.15 0.00 0.00 55.06 53.86 3c18 s HIS 56 Cb -0.08 -1.59 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 3c18 s HIS 56 CO 0.01 -0.56 -0.04 0.71 -0.85 0.00 0.00 174.74 174.01 3c18 s TYR 57 N 1.02 1.73 -0.04 1.40 2.02 0.51 -5.01 117.35 118.98 3c18 s TYR 57 Ca -0.05 -0.80 0.02 0.00 -0.37 0.00 0.00 57.07 55.88 3c18 s TYR 57 Cb -0.15 -0.98 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 3c18 s TYR 57 CO -0.03 0.13 -0.09 0.50 -1.57 0.00 0.00 175.55 174.48 3c18 s ARG 58 N -3.79 1.10 -0.28 -0.62 3.52 -1.26 -0.48 118.95 117.15 3c18 s ARG 58 Ca 0.28 -0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 55.57 3c18 s ARG 58 Cb 0.04 -1.00 0.09 0.00 -1.56 0.00 0.00 34.95 32.52 3c18 s ARG 58 CO 0.10 0.08 0.07 -1.17 -0.81 0.00 0.00 175.30 173.56 3c18 s LEU 59 N 0.37 2.19 -1.16 -0.88 2.96 0.83 -4.87 118.68 118.13 3c18 s LEU 59 Ca -0.06 -1.47 -0.12 0.00 -0.22 0.00 0.00 54.13 52.25 3c18 s LEU 59 Cb -0.11 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.68 3c18 s LEU 59 CO 0.01 -0.38 0.80 0.59 -1.32 0.00 0.00 176.35 176.05 3c18 n ASN 60 N 4.84 -4.68 0.00 3.68 3.02 -1.26 -1.71 115.26 119.14 3c18 n ASN 60 Ca -0.04 -0.89 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3c18 n ASN 60 Cb 0.43 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.60 3c18 n ASN 60 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3c18 n THR 61 N -3.96 0.00 -2.81 3.41 -2.24 -1.26 -4.99 114.28 102.43 3c18 n THR 61 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3c18 n THR 61 Cb 0.62 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 3c18 n THR 61 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3c18 s LEU 62 N 0.00 4.02 -0.26 3.22 2.96 -0.70 -5.02 118.68 122.90 3c18 s LEU 62 Ca 0.00 0.75 -0.21 0.00 -0.22 0.00 0.00 54.13 54.44 3c18 s LEU 62 Cb 0.00 -3.27 -0.01 0.00 0.50 0.00 0.00 46.19 43.40 3c18 s LEU 62 CO 0.00 -0.77 0.68 -0.13 -1.32 0.00 0.00 176.35 174.81 3c18 s ARG 63 N 3.32 4.10 -0.12 1.98 0.52 -1.26 -0.12 118.95 127.37 3c18 s ARG 63 Ca 0.38 0.61 0.02 0.00 -0.52 0.00 0.00 55.73 56.22 3c18 s ARG 63 Cb -0.13 -3.66 0.01 0.00 0.52 0.00 0.00 34.95 31.69 3c18 s ARG 63 CO 0.15 -0.47 -0.20 0.08 0.02 0.00 0.00 175.30 174.89 3c18 s VAL 64 N 2.61 1.85 -0.18 3.52 1.01 0.37 -0.62 120.40 128.97 3c18 s VAL 64 Ca 0.28 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.35 3c18 s VAL 64 Cb -0.15 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 3c18 s VAL 64 CO 0.09 0.51 0.00 -0.55 0.00 0.00 0.00 175.10 175.15 3c18 s SER 65 N 0.81 5.04 -0.18 3.32 0.15 -0.37 -0.37 113.70 122.11 3c18 s SER 65 Ca -0.08 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.47 3c18 s SER 65 Cb -0.16 -1.84 0.01 0.00 -1.71 0.00 0.00 66.02 62.32 3c18 s SER 65 CO -0.00 0.14 -0.16 -0.22 1.20 0.00 0.00 173.24 174.20 3c18 s LEU 66 N 0.54 2.36 -0.26 3.45 0.20 0.09 -0.01 118.68 125.05 3c18 s LEU 66 Ca -0.01 -0.55 -0.08 0.00 0.69 0.00 0.00 54.13 54.18 3c18 s LEU 66 Cb -0.14 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 3c18 s LEU 66 CO 0.02 0.03 0.10 -1.00 -0.29 0.00 0.00 176.35 175.20 3c18 s HIS 67 N 1.16 3.12 -0.28 5.38 3.76 0.12 -0.89 115.29 127.66 3c18 s HIS 67 Ca 0.01 -0.31 -0.07 0.00 -0.15 0.00 0.00 55.06 54.55 3c18 s HIS 67 Cb -0.14 -2.27 -0.00 0.00 1.11 0.00 0.00 32.58 31.28 3c18 s HIS 67 CO -0.07 -0.32 0.06 -1.17 -0.85 0.00 0.00 174.74 172.39 3c18 s LEU 68 N 1.65 3.65 -0.03 0.89 2.96 -0.26 -0.55 118.68 126.98 3c18 s LEU 68 Ca 0.06 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3c18 s LEU 68 Cb -0.15 -1.87 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 3c18 s LEU 68 CO 0.05 -0.14 -0.12 0.54 -1.32 0.00 0.00 176.35 175.36 3c18 s VAL 69 N 1.52 1.05 0.41 1.68 0.11 -0.33 -0.51 120.40 124.33 3c18 s VAL 69 Ca 0.04 -0.51 -0.25 0.00 -2.93 0.00 0.00 61.98 58.33 3c18 s VAL 69 Cb -0.16 -0.91 -0.08 0.00 -1.53 0.00 0.00 36.38 33.69 3c18 s VAL 69 CO 0.02 0.31 1.19 -2.28 -3.33 0.00 0.00 175.10 171.01 3c18 s HIS 70 N 0.10 2.98 0.45 1.54 2.46 -0.08 -1.19 115.29 121.54 3c18 s HIS 70 Ca -0.03 1.53 0.18 0.00 0.47 0.00 0.00 55.06 57.21 3c18 s HIS 70 Cb -0.09 -3.44 1.13 0.00 -0.13 0.00 0.00 32.58 30.05 3c18 s HIS 70 CO 0.01 -1.50 1.94 1.49 -2.47 0.00 0.00 174.74 174.21 3c18 h GLU 71 N 2.51 0.31 0.00 2.88 4.81 -1.34 -1.42 114.58 122.33 3c18 h GLU 71 Ca -0.49 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 58.54 3c18 h GLU 71 Cb 1.24 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3c18 h GLU 71 CO 0.62 0.20 -0.90 1.96 -0.73 0.00 0.00 179.01 180.16 3c18 h GLN 72 N 0.32 0.00 -0.13 1.92 1.08 -1.91 -0.04 115.11 116.35 3c18 h GLN 72 Ca 0.34 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.41 3c18 h GLN 72 Cb 0.88 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.31 3c18 h GLN 72 CO -0.09 0.83 -0.42 0.28 -0.95 0.00 0.00 178.83 178.48 3c18 h VAL 73 N 0.00 1.36 -0.22 -0.54 2.07 -1.63 -2.18 116.25 115.11 3c18 h VAL 73 Ca -0.02 -1.72 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 3c18 h VAL 73 Cb 1.67 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.54 3c18 h VAL 73 CO 0.11 0.52 0.10 0.25 0.02 0.00 0.00 177.57 178.57 3c18 h LEU 74 N 0.11 0.30 -0.58 2.57 5.85 -1.24 -1.51 115.31 120.81 3c18 h LEU 74 Ca -0.02 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.67 3c18 h LEU 74 Cb 1.05 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.92 3c18 h LEU 74 CO 0.09 0.35 0.13 -1.28 -0.34 0.00 0.00 178.44 177.39 3c18 h SER 75 N 0.22 0.02 -0.50 1.25 0.87 -1.00 -0.34 113.55 114.07 3c18 h SER 75 Ca 0.08 0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 3c18 h SER 75 Cb 0.14 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 3c18 h SER 75 CO -0.01 0.02 0.06 -0.09 -0.53 0.00 0.00 176.83 176.28 3c18 h ARG 76 N 0.27 0.85 -0.86 2.24 2.43 -1.18 0.88 114.38 119.01 3c18 h ARG 76 Ca 0.30 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3c18 h ARG 76 Cb 0.43 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 3c18 h ARG 76 CO -0.38 0.86 0.56 -1.49 -1.51 0.00 0.00 179.97 178.01 3c18 h TRP 77 N 0.72 1.03 0.04 2.20 6.55 -0.42 -1.64 115.95 124.44 3c18 h TRP 77 Ca 0.15 0.03 -0.25 0.00 0.95 0.00 0.00 58.89 59.77 3c18 h TRP 77 Cb 0.44 -0.34 0.01 0.00 -0.86 0.00 0.00 29.16 28.40 3c18 h TRP 77 CO 0.03 0.60 -1.05 -0.07 -1.05 0.00 0.00 178.44 176.90 3c18 h LEU 78 N 1.07 0.59 -1.04 -4.49 3.38 -0.44 0.91 115.31 115.29 3c18 h LEU 78 Ca 0.34 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3c18 h LEU 78 Cb 0.03 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3c18 h LEU 78 CO -0.10 1.33 -0.20 0.40 0.09 0.00 0.00 178.44 179.96 3c18 h ILE 79 N 0.22 1.25 -0.02 1.22 2.04 -0.55 -3.04 117.51 118.62 3c18 h ILE 79 Ca -0.11 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3c18 h ILE 79 Cb 1.71 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3c18 h ILE 79 CO 0.19 0.36 -0.26 0.18 0.00 0.00 0.00 178.15 178.61 3c18 n LEU 80 N -4.16 2.33 -4.02 1.44 4.77 -0.64 -4.81 117.00 111.91 3c18 n LEU 80 Ca -0.00 -0.81 -0.33 0.00 -0.03 0.00 0.00 56.01 54.83 3c18 n LEU 80 Cb 0.36 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 3c18 n LEU 80 CO 0.41 0.41 -0.24 0.59 -1.33 0.00 0.00 177.39 177.23 3c18 n ASN 81 N 0.48 -1.95 -0.98 -1.43 4.13 -0.44 -4.88 115.26 110.19 3c18 n ASN 81 Ca 0.12 -1.15 0.10 0.00 1.68 0.00 0.00 54.58 55.33 3c18 n ASN 81 Cb 0.51 -2.43 0.17 0.00 -1.54 0.00 0.00 39.78 36.48 3c18 n ASN 81 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3c18 n ALA 82 N -4.57 2.41 -3.26 5.41 0.00 0.19 -4.73 120.51 115.96 3c18 n ALA 82 Ca -0.22 -0.90 -0.09 0.00 0.00 0.00 0.00 53.44 52.23 3c18 n ALA 82 Cb 0.64 -0.75 -0.04 0.00 0.00 0.00 0.00 19.45 19.30 3c18 n ALA 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3c18 s ASN 83 N -1.46 -0.17 0.33 0.00 3.84 -1.25 -5.02 114.94 111.22 3c18 s ASN 83 Ca 0.32 -1.29 0.02 0.00 0.21 0.00 0.00 52.86 52.11 3c18 s ASN 83 Cb 0.19 1.23 0.58 0.00 -0.55 0.00 0.00 41.25 42.70 3c18 s ASN 83 CO 0.28 -0.20 1.96 0.03 -2.79 0.00 0.00 177.10 176.37 3c18 h ARG 84 N 6.86 0.80 -0.36 0.43 3.08 -1.94 -2.46 114.38 120.81 3c18 h ARG 84 Ca 0.06 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3c18 h ARG 84 Cb 1.11 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3c18 h ARG 84 CO 0.15 0.59 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.52 3c18 h ARG 85 N 0.81 0.65 0.00 0.04 2.43 -1.99 -2.34 114.38 113.98 3c18 h ARG 85 Ca 0.21 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3c18 h ARG 85 Cb 0.03 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3c18 h ARG 85 CO -0.03 0.79 -0.12 0.00 -1.51 0.00 0.00 179.97 179.10 3c18 h ALA 86 N 0.84 1.74 -0.25 2.80 0.00 -1.87 -0.98 119.26 121.54 3c18 h ALA 86 Ca 0.10 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3c18 h ALA 86 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3c18 h ALA 86 CO 0.03 0.15 -0.58 0.28 0.00 0.00 0.00 179.25 179.12 3c18 h VAL 87 N 0.00 1.29 -0.40 0.00 2.07 -1.26 -2.20 116.25 115.75 3c18 h VAL 87 Ca -0.00 -1.78 -0.10 0.00 0.82 0.00 0.00 66.70 65.64 3c18 h VAL 87 Cb 0.22 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3c18 h VAL 87 CO 0.02 0.57 -0.14 -0.74 0.02 0.00 0.00 177.57 177.30 3c18 h HIS 88 N 0.60 0.80 -0.26 1.57 6.17 -0.73 -1.41 115.15 121.89 3c18 h HIS 88 Ca 0.00 -0.15 -0.04 0.00 0.71 0.00 0.00 60.37 60.89 3c18 h HIS 88 Cb 1.18 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.90 3c18 h HIS 88 CO 0.07 0.82 0.00 -1.49 0.71 0.00 0.00 177.93 178.04 3c18 h TRP 89 N 0.65 0.50 -0.28 5.26 6.55 -1.07 -0.00 115.95 127.55 3c18 h TRP 89 Ca 0.11 -0.09 -0.06 0.00 0.95 0.00 0.00 58.89 59.80 3c18 h TRP 89 Cb 0.61 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.77 3c18 h TRP 89 CO 0.03 0.61 -0.07 0.28 -1.05 0.00 0.00 178.44 178.24 3c18 h VAL 90 N 0.24 1.28 -0.27 1.49 2.07 -1.30 0.18 116.25 119.94 3c18 h VAL 90 Ca 0.07 -1.10 -0.14 0.00 0.82 0.00 0.00 66.70 66.36 3c18 h VAL 90 Cb 0.42 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3c18 h VAL 90 CO 0.01 0.35 -0.36 0.77 0.02 0.00 0.00 177.57 178.36 3c18 h SER 91 N 0.30 0.78 0.00 0.57 4.64 -1.18 -3.33 113.55 115.34 3c18 h SER 91 Ca 0.07 -0.50 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3c18 h SER 91 Cb 0.55 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3c18 h SER 91 CO 0.03 1.13 -1.84 -0.62 -0.87 0.00 0.00 176.83 174.65 3c18 n GLU 92 N -4.21 0.59 -1.10 4.77 -0.58 -0.02 -4.99 120.64 115.11 3c18 n GLU 92 Ca -0.04 -0.17 -0.31 0.00 -0.42 0.00 0.00 57.16 56.22 3c18 n GLU 92 Cb 0.52 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 30.01 3c18 n GLU 92 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3c18 s GLY 93 N -4.25 1.67 -0.19 0.62 0.00 0.62 -5.01 107.32 100.77 3c18 s GLY 93 Ca -0.06 0.29 -0.15 0.00 0.00 0.00 0.00 44.72 44.79 3c18 s GLY 93 CO 0.87 0.68 0.38 -1.59 0.00 0.00 0.00 173.10 173.44 3c18 s THR 94 N -2.84 5.22 -0.15 0.90 2.01 0.30 -4.85 115.64 116.24 3c18 s THR 94 Ca 0.63 0.68 -0.29 0.00 0.31 0.00 0.00 61.69 63.01 3c18 s THR 94 Cb -0.19 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 3c18 s THR 94 CO 0.57 0.28 1.48 -0.63 -0.69 0.00 0.00 174.62 175.63 3c18 s ILE 95 N 1.10 3.90 -0.19 1.82 1.01 -1.26 -0.12 121.20 127.47 3c18 s ILE 95 Ca 0.19 1.07 0.15 0.00 0.00 0.00 0.00 60.65 62.06 3c18 s ILE 95 Cb -0.14 -3.76 -0.24 0.00 0.01 0.00 0.00 42.46 38.33 3c18 s ILE 95 CO 0.07 -0.17 0.08 -0.38 0.00 0.00 0.00 174.94 174.54 3c18 n ILE 96 N 5.71 1.43 -3.62 2.92 2.08 0.51 -4.96 119.36 123.43 3c18 n ILE 96 Ca 0.16 -0.81 -0.11 0.00 0.56 0.00 0.00 62.75 62.55 3c18 n ILE 96 Cb 0.44 -0.66 -0.07 0.00 -0.75 0.00 0.00 39.64 38.60 3c18 n ILE 96 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 3c18 s PHE 97 N -2.50 -0.57 0.02 1.39 5.36 -1.12 -4.97 117.98 115.58 3c18 s PHE 97 Ca -0.13 1.33 -0.21 0.00 -0.96 0.00 0.00 56.93 56.95 3c18 s PHE 97 Cb 0.07 0.35 0.05 0.00 -0.34 0.00 0.00 43.02 43.14 3c18 s PHE 97 CO 0.80 -0.32 0.48 -1.83 -1.46 0.00 0.00 175.22 172.89 3c18 s GLU 98 N 0.01 0.95 -0.06 10.12 -1.05 -1.26 -0.14 118.70 127.28 3c18 s GLU 98 Ca 0.01 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 3c18 s GLU 98 Cb -0.04 0.43 -0.03 0.00 -0.44 0.00 0.00 34.13 34.05 3c18 s GLU 98 CO -0.02 -0.32 -0.04 1.03 0.95 0.00 0.00 175.26 176.86 3c18 s ARG 99 N -2.11 2.80 -1.47 -4.83 0.52 0.18 -4.75 118.95 109.29 3c18 s ARG 99 Ca -0.07 -0.53 -0.11 0.00 -0.52 0.00 0.00 55.73 54.49 3c18 s ARG 99 Cb -0.01 -2.65 0.05 0.00 0.52 0.00 0.00 34.95 32.86 3c18 s ARG 99 CO 0.01 0.66 0.94 0.09 0.02 0.00 0.00 175.30 177.02 3c18 n ASN 100 N 2.02 -5.32 -2.06 0.23 5.03 -1.26 -1.17 115.26 112.72 3c18 n ASN 100 Ca -0.17 -0.61 -0.13 0.00 0.87 0.00 0.00 54.58 54.53 3c18 n ASN 100 Cb 0.53 -4.24 -0.02 0.00 -1.02 0.00 0.00 39.78 35.02 3c18 n ASN 100 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3c18 n ASP 101 N -2.78 -3.86 -0.16 6.41 8.00 -1.26 -4.83 116.55 118.06 3c18 n ASP 101 Ca 0.01 0.23 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 3c18 n ASP 101 Cb 0.55 -3.38 0.07 0.00 -0.02 0.00 0.00 41.12 38.33 3c18 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3c18 h TYR 102 N 0.00 0.08 0.00 1.24 3.20 -1.39 -0.31 116.97 119.79 3c18 h TYR 102 Ca -0.30 0.03 -0.23 0.00 3.14 0.00 0.00 58.73 61.38 3c18 h TYR 102 Cb 1.10 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 3c18 h TYR 102 CO 0.57 -0.06 -1.34 -0.07 -1.64 0.00 0.00 178.16 175.63 3c18 h LEU 103 N 0.18 0.00 -0.68 2.82 3.38 -1.83 -2.19 115.31 116.99 3c18 h LEU 103 Ca 0.26 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.13 3c18 h LEU 103 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 3c18 h LEU 103 CO -0.37 0.89 -0.02 0.74 0.09 0.00 0.00 178.44 179.77 3c18 h THR 104 N 0.00 1.26 0.08 0.22 2.02 -1.89 -1.98 112.91 112.62 3c18 h THR 104 Ca -0.16 -1.15 -0.27 0.00 0.77 0.00 0.00 66.41 65.60 3c18 h THR 104 Cb 1.82 0.84 0.02 0.00 -1.74 0.00 0.00 68.15 69.08 3c18 h THR 104 CO 0.09 0.41 -1.15 0.44 0.37 0.00 0.00 175.52 175.68 3c18 h ASP 105 N 0.92 0.72 -0.14 4.18 3.32 -1.08 -3.10 116.42 121.25 3c18 h ASP 105 Ca 0.16 -0.65 -0.06 0.00 0.02 0.00 0.00 57.03 56.50 3c18 h ASP 105 Cb 0.56 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3c18 h ASP 105 CO 0.03 1.46 -0.10 0.25 -1.72 0.00 0.00 179.24 179.16 3c18 h LEU 106 N 0.25 0.45 -0.70 1.55 5.85 -1.29 0.10 115.31 121.51 3c18 h LEU 106 Ca -0.15 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 3c18 h LEU 106 Cb 1.81 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 3c18 h LEU 106 CO 0.21 0.59 0.04 0.11 -0.34 0.00 0.00 178.44 179.05 3c18 h LYS 107 N 0.44 1.03 -0.25 1.25 1.57 -1.35 -1.85 116.57 117.42 3c18 h LYS 107 Ca 0.09 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.44 3c18 h LYS 107 Cb 0.45 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3c18 h LYS 107 CO 0.02 0.99 -0.34 0.87 -0.57 0.00 0.00 179.45 180.42 3c18 h LYS 108 N 0.96 0.68 0.00 3.15 1.57 -1.26 -2.98 116.57 118.68 3c18 h LYS 108 Ca 0.18 -0.39 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 3c18 h LYS 108 Cb 0.50 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3c18 h LYS 108 CO 0.02 1.01 -0.19 1.96 -0.57 0.00 0.00 179.45 181.68 3c18 h GLN 109 N 0.39 0.00 0.00 3.15 4.20 -0.87 -2.55 115.11 119.44 3c18 h GLN 109 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3c18 h GLN 109 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3c18 h GLN 109 CO 0.08 0.19 0.00 -0.07 -0.67 0.00 0.00 178.83 178.36 3c18 h LEU 110 N 0.00 0.00 -0.74 1.46 3.38 -1.17 -2.53 115.31 115.71 3c18 h LEU 110 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3c18 h LEU 110 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3c18 h LEU 110 CO 0.02 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.09 3c18 n ARG 111 N -2.58 1.49 -4.35 1.13 1.74 -0.96 -4.76 116.66 108.37 3c18 n ARG 111 Ca 0.02 -0.73 -0.20 0.00 -0.77 0.00 0.00 57.85 56.16 3c18 n ARG 111 Cb 0.28 -1.33 -0.13 0.00 -1.02 0.00 0.00 32.46 30.26 3c18 n ARG 111 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3c18 s ASN 112 N -1.47 1.65 -0.62 0.55 2.47 -0.96 -5.10 114.94 111.46 3c18 s ASN 112 Ca 0.28 -0.46 -0.01 0.00 0.42 0.00 0.00 52.86 53.09 3c18 s ASN 112 Cb 0.14 -0.10 0.16 0.00 -1.45 0.00 0.00 41.25 40.00 3c18 s ASN 112 CO 0.22 0.03 0.43 0.12 -3.72 0.00 0.00 177.10 174.18 3c18 s PHE 113 N -0.85 3.38 0.34 0.43 2.19 -1.26 -4.99 117.98 117.22 3c18 s PHE 113 Ca 0.01 -2.83 -0.27 0.00 0.33 0.00 0.00 56.93 54.17 3c18 s PHE 113 Cb -0.08 -3.12 -0.12 0.00 -1.31 0.00 0.00 43.02 38.38 3c18 s PHE 113 CO 0.01 -0.81 1.15 -2.30 1.83 0.00 0.00 175.22 175.10 3c18 n PRO 114 N 3.31 1.74 -0.28 10.12 -0.02 -1.26 -4.81 135.00 143.80 3c18 n PRO 114 Ca 0.08 0.61 -0.01 0.00 -2.02 0.00 0.00 63.50 62.16 3c18 n PRO 114 Cb 0.37 -2.12 0.11 0.00 -0.02 0.00 0.00 33.50 31.83 3c18 n PRO 114 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3c18 h GLU 115 N 2.18 0.91 -0.30 -0.52 4.39 -1.99 -1.10 114.58 118.15 3c18 h GLU 115 Ca -0.44 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 3c18 h GLU 115 Cb 1.31 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 3c18 h GLU 115 CO 0.61 0.60 0.04 1.79 -1.16 0.00 0.00 179.01 180.89 3c18 h THR 116 N 0.94 1.16 -0.09 1.13 1.35 -1.99 0.12 112.91 115.53 3c18 h THR 116 Ca 0.33 -0.61 -0.22 0.00 -0.55 0.00 0.00 66.41 65.36 3c18 h THR 116 Cb 0.07 0.89 0.01 0.00 -1.73 0.00 0.00 68.15 67.40 3c18 h THR 116 CO -0.14 0.21 -0.80 -0.33 -0.25 0.00 0.00 175.52 174.21 3c18 h GLU 117 N 0.44 0.70 -0.55 4.72 5.08 -1.70 -2.13 114.58 121.14 3c18 h GLU 117 Ca 0.10 -0.64 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 3c18 h GLU 117 Cb 0.23 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3c18 h GLU 117 CO 0.00 1.24 0.12 -0.09 -1.00 0.00 0.00 179.01 179.28 3c18 h ARG 118 N 0.39 0.88 -0.21 2.33 2.43 -0.69 -1.77 114.38 117.74 3c18 h ARG 118 Ca -0.07 -0.22 -0.14 0.00 -0.81 0.00 0.00 59.98 58.73 3c18 h ARG 118 Cb 1.45 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3c18 h ARG 118 CO 0.16 0.84 -0.47 0.00 -1.51 0.00 0.00 179.97 178.99 3c18 h LEU 120 N 0.43 0.80 -1.99 0.00 5.85 -1.26 -1.57 115.31 117.56 3c18 h LEU 120 Ca 0.03 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3c18 h LEU 120 Cb 0.98 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.80 3c18 h LEU 120 CO 0.09 0.81 0.00 0.00 -0.34 0.00 0.00 178.44 178.99 3c18 n GLN 121 N -4.44 0.35 0.00 1.25 6.02 -0.68 -1.50 117.38 118.38 3c18 n GLN 121 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3c18 n GLN 121 Cb 0.21 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.15 3c18 n GLN 121 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3c18 n SER 123 N 0.82 0.00 -0.03 1.08 7.64 -0.59 -1.33 113.62 121.21 3c18 n SER 123 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 3c18 n SER 123 Cb 0.18 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.49 3c18 n SER 123 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3c18 h LEU 124 N 0.00 0.63 -0.03 -3.43 3.38 -1.54 -0.27 115.31 114.06 3c18 h LEU 124 Ca 0.00 -0.25 -0.24 0.00 0.09 0.00 0.00 57.88 57.47 3c18 h LEU 124 Cb 0.00 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.59 3c18 h LEU 124 CO 0.00 0.91 -0.94 -1.28 0.09 0.00 0.00 178.44 177.22 3c18 h SER 125 N 0.52 0.87 -0.73 -0.43 0.87 -1.47 -2.70 113.55 110.48 3c18 h SER 125 Ca 0.06 -0.72 -0.02 0.00 -1.23 0.00 0.00 61.79 59.88 3c18 h SER 125 Cb 0.81 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3c18 h SER 125 CO 0.07 1.47 0.37 0.15 -0.53 0.00 0.00 176.83 178.36 3c18 h PHE 126 N 0.35 1.04 -0.84 2.24 3.57 -1.78 -0.69 116.94 120.83 3c18 h PHE 126 Ca -0.11 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 3c18 h PHE 126 Cb 1.59 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 3c18 h PHE 126 CO 0.11 0.76 0.50 0.00 -2.23 0.00 0.00 178.31 177.44 3c18 h ALA 127 N 1.18 1.30 0.05 2.41 0.00 -0.94 -0.61 119.26 122.65 3c18 h ALA 127 Ca 0.25 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 3c18 h ALA 127 Cb 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3c18 h ALA 127 CO -0.04 0.60 -1.05 0.87 0.00 0.00 0.00 179.25 179.64 3c18 h LYS 128 N 1.16 0.35 -0.02 0.00 1.57 -1.20 -2.39 116.57 116.03 3c18 h LYS 128 Ca 0.30 -0.44 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3c18 h LYS 128 Cb -0.04 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3c18 h LYS 128 CO -0.06 1.14 -0.04 1.25 -0.57 0.00 0.00 179.45 181.17 3c18 h LEU 129 N 0.17 -0.12 -0.42 2.94 5.85 -0.74 -1.15 115.31 121.83 3c18 h LEU 129 Ca -0.10 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.70 3c18 h LEU 129 Cb 1.72 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.75 3c18 h LEU 129 CO 0.18 -0.06 0.14 0.25 -0.34 0.00 0.00 178.44 178.61 3c18 h LEU 130 N -0.06 0.14 -0.28 2.25 5.85 -1.10 0.16 115.31 122.27 3c18 h LEU 130 Ca 0.03 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3c18 h LEU 130 Cb 0.10 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3c18 h LEU 130 CO -0.06 0.11 -0.04 -0.09 -0.34 0.00 0.00 178.44 178.03 3c18 h ARG 131 N 0.30 0.52 -0.22 1.25 9.65 -1.32 0.17 114.38 124.73 3c18 h ARG 131 Ca 0.20 -0.18 -0.13 0.00 -1.10 0.00 0.00 59.98 58.77 3c18 h ARG 131 Cb 0.19 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3c18 h ARG 131 CO -0.21 0.70 -0.40 0.00 2.80 0.00 0.00 179.97 182.87 3c18 h ARG 132 N 0.28 0.50 -0.42 0.20 2.47 -0.98 -0.38 114.38 116.06 3c18 h ARG 132 Ca 0.07 -0.25 -0.05 0.00 -1.26 0.00 0.00 59.98 58.50 3c18 h ARG 132 Cb 0.49 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 3c18 h ARG 132 CO 0.02 0.82 0.07 0.35 0.56 0.00 0.00 179.97 181.79 3c18 h PHE 133 N 0.42 0.73 -0.54 3.04 3.57 -0.37 -0.91 116.94 122.88 3c18 h PHE 133 Ca 0.04 -0.10 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 3c18 h PHE 133 Cb 0.88 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3c18 h PHE 133 CO 0.03 0.71 -0.04 1.96 -2.23 0.00 0.00 178.31 178.75 3c18 h GLN 134 N 0.55 0.98 -0.54 1.11 4.20 -0.65 -1.64 115.11 119.13 3c18 h GLN 134 Ca 0.13 -0.33 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 3c18 h GLN 134 Cb 0.37 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3c18 h GLN 134 CO 0.01 1.01 0.01 -0.44 -0.67 0.00 0.00 178.83 178.74 3c18 h ASP 135 N 0.86 0.89 -0.30 1.46 3.32 -0.96 -2.08 116.42 119.62 3c18 h ASP 135 Ca 0.15 -0.23 -0.14 0.00 0.02 0.00 0.00 57.03 56.83 3c18 h ASP 135 Cb 0.58 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3c18 h ASP 135 CO 0.03 0.95 -0.31 1.23 -1.72 0.00 0.00 179.24 179.42 3c18 h GLY 136 N 1.00 0.90 1.34 2.75 0.00 -0.84 -0.84 103.07 107.38 3c18 h GLY 136 Ca 0.16 -0.84 -0.17 0.00 0.00 0.00 0.00 47.33 46.48 3c18 h GLY 136 CO 0.02 0.77 -0.53 -0.09 0.00 0.00 0.00 176.54 176.71 3c18 h ARG 137 N 0.69 0.69 0.06 4.80 2.43 -1.18 -0.54 114.38 121.33 3c18 h ARG 137 Ca 0.08 -0.43 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3c18 h ARG 137 Cb 0.86 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3c18 h ARG 137 CO 0.08 1.05 -0.03 -0.97 -1.51 0.00 0.00 179.97 178.59 3c18 h ASN 138 N 0.54 -0.07 -0.79 -3.80 -1.24 -1.25 -1.40 115.58 107.57 3c18 h ASN 138 Ca 0.01 -0.44 0.06 0.00 0.71 0.00 0.00 56.30 56.64 3c18 h ASN 138 Cb 1.10 0.02 -0.06 0.00 0.73 0.00 0.00 38.32 40.11 3c18 h ASN 138 CO 0.11 0.42 0.48 -0.07 -1.29 0.00 0.00 177.43 177.08 3c18 h LEU 139 N -0.57 0.74 -0.90 0.34 3.38 -1.17 -1.94 115.31 115.18 3c18 h LEU 139 Ca -0.01 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3c18 h LEU 139 Cb 0.50 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3c18 h LEU 139 CO 0.01 0.48 0.60 0.15 0.09 0.00 0.00 178.44 179.77 3c18 h PHE 140 N 0.87 1.13 0.00 1.13 3.57 -0.97 -1.38 116.94 121.29 3c18 h PHE 140 Ca 0.34 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 3c18 h PHE 140 Cb 0.16 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.52 3c18 h PHE 140 CO -0.05 0.69 -0.09 0.66 -2.23 0.00 0.00 178.31 177.30 3c18 h SER 141 N 1.20 0.00 0.23 0.41 4.64 -0.53 -2.26 113.55 117.24 3c18 h SER 141 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3c18 h SER 141 Cb -0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3c18 h SER 141 CO -0.08 0.09 -0.53 0.54 -0.87 0.00 0.00 176.83 175.97 3c18 n ARG 142 N -3.21 0.45 -0.19 4.77 1.74 -0.75 -4.94 116.66 114.52 3c18 n ARG 142 Ca 0.01 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 3c18 n ARG 142 Cb 0.36 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3c18 n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3c18 n GLY 143 N 1.44 0.70 3.51 -0.13 0.00 -0.72 -5.01 105.19 104.99 3c18 n GLY 143 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 3c18 n GLY 143 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3c18 s ASN 144 N -2.66 6.96 0.12 1.61 0.02 -0.60 -4.83 114.94 115.56 3c18 s ASN 144 Ca 0.00 -2.73 -0.05 0.00 -1.02 0.00 0.00 52.86 49.05 3c18 s ASN 144 Cb 0.00 -2.48 -0.13 0.00 0.02 0.00 0.00 41.25 38.66 3c18 s ASN 144 CO 0.00 -0.94 1.27 1.88 0.02 0.00 0.00 177.10 179.33 3c18 h TYR 145 N 7.38 0.65 -0.24 2.20 0.05 -1.90 0.55 116.97 125.66 3c18 h TYR 145 Ca 0.37 -0.37 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 3c18 h TYR 145 Cb 0.87 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.53 3c18 h TYR 145 CO 1.25 1.20 -0.27 1.88 -1.05 0.00 0.00 178.16 181.16 3c18 h TYR 146 N 0.23 0.54 0.06 4.88 0.05 -1.97 -1.65 116.97 119.10 3c18 h TYR 146 Ca -0.09 -0.12 -0.29 0.00 0.05 0.00 0.00 58.73 58.28 3c18 h TYR 146 Cb 1.64 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 39.23 3c18 h TYR 146 CO 0.07 0.70 -1.52 -0.44 -1.05 0.00 0.00 178.16 175.92 3c18 h ASP 147 N 0.42 0.20 -0.96 3.88 3.32 -1.95 -3.23 116.42 118.09 3c18 h ASP 147 Ca 0.06 -0.31 0.07 0.00 0.02 0.00 0.00 57.03 56.87 3c18 h ASP 147 Cb 0.69 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.11 3c18 h ASP 147 CO 0.05 1.26 0.61 0.00 -1.72 0.00 0.00 179.24 179.45 3c18 h ALA 148 N 0.70 1.36 -0.96 3.45 0.00 -0.68 -2.06 119.26 121.06 3c18 h ALA 148 Ca -0.23 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.71 3c18 h ALA 148 Cb 1.97 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.44 3c18 h ALA 148 CO 0.13 0.36 0.63 -0.92 0.00 0.00 0.00 179.25 179.44 3c18 h TYR 149 N 1.08 1.18 -0.17 0.00 3.20 -1.32 -1.29 116.97 119.65 3c18 h TYR 149 Ca 0.43 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.38 3c18 h TYR 149 Cb 0.23 -0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.05 3c18 h TYR 149 CO -0.01 0.69 -0.17 1.15 -1.64 0.00 0.00 178.16 178.17 3c18 h THR 150 N 1.23 0.54 -0.15 1.81 2.02 -1.42 -0.03 112.91 116.91 3c18 h THR 150 Ca 0.38 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.38 3c18 h THR 150 Cb -0.01 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3c18 h THR 150 CO -0.12 0.00 -0.66 0.45 0.37 0.00 0.00 175.52 175.56 3c18 h HIS 151 N -0.20 0.73 -0.59 3.16 3.86 -1.36 -0.99 115.15 119.75 3c18 h HIS 151 Ca 0.11 -0.29 -0.07 0.00 -1.16 0.00 0.00 60.37 58.95 3c18 h HIS 151 Cb 0.36 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 3c18 h HIS 151 CO -0.31 1.06 0.08 0.28 0.86 0.00 0.00 177.93 179.90 3c18 h VAL 152 N 0.41 1.26 -0.26 2.45 2.07 -1.01 0.39 116.25 121.55 3c18 h VAL 152 Ca -0.02 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 3c18 h VAL 152 Cb 1.23 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3c18 h VAL 152 CO 0.12 0.37 0.05 -0.74 0.02 0.00 0.00 177.57 177.40 3c18 h HIS 153 N 0.89 0.45 -0.01 1.57 6.17 -0.83 -1.26 115.15 122.13 3c18 h HIS 153 Ca 0.18 -0.06 0.01 0.00 0.71 0.00 0.00 60.37 61.21 3c18 h HIS 153 Cb 0.44 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 30.23 3c18 h HIS 153 CO 0.03 0.53 -0.06 0.45 0.71 0.00 0.00 177.93 179.59 3c18 h HIS 154 N 0.25 -0.16 -0.78 5.26 3.86 -1.03 -2.12 115.15 120.43 3c18 h HIS 154 Ca 0.08 0.01 0.15 0.00 -1.16 0.00 0.00 60.37 59.44 3c18 h HIS 154 Cb 0.31 0.07 -0.10 0.00 1.06 0.00 0.00 27.41 28.76 3c18 h HIS 154 CO 0.02 -0.10 0.34 0.00 0.86 0.00 0.00 177.93 179.04 3c18 h ALA 155 N 0.89 1.13 -0.49 2.45 0.00 -0.78 0.59 119.26 123.05 3c18 h ALA 155 Ca 0.03 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3c18 h ALA 155 Cb 0.15 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3c18 h ALA 155 CO -0.07 -0.19 -0.02 -0.07 0.00 0.00 0.00 179.25 178.90 3c18 h LEU 156 N 0.48 0.81 -0.95 0.00 3.38 -0.73 -1.41 115.31 116.89 3c18 h LEU 156 Ca 0.43 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 3c18 h LEU 156 Cb 0.65 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3c18 h LEU 156 CO -0.40 0.89 0.29 -0.74 0.09 0.00 0.00 178.44 178.57 3c18 h HIS 157 N 0.78 1.06 -0.34 1.13 2.76 -0.29 -1.31 115.15 118.93 3c18 h HIS 157 Ca 0.15 -0.07 -0.15 0.00 -2.20 0.00 0.00 60.37 58.09 3c18 h HIS 157 Cb 0.49 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 3c18 h HIS 157 CO 0.03 0.80 -0.40 0.45 -1.30 0.00 0.00 177.93 177.51 3c18 h HIS 158 N 1.03 1.00 -0.80 5.26 3.86 -0.65 -1.89 115.15 122.97 3c18 h HIS 158 Ca 0.24 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 59.10 3c18 h HIS 158 Cb 0.18 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.41 3c18 h HIS 158 CO 0.02 1.10 0.32 1.25 0.86 0.00 0.00 177.93 181.47 3c18 h LEU 159 N 0.68 1.10 -0.20 2.43 5.85 -1.04 -0.05 115.31 124.07 3c18 h LEU 159 Ca 0.05 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3c18 h LEU 159 Cb 0.97 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3c18 h LEU 159 CO 0.09 0.97 0.12 0.00 -0.34 0.00 0.00 178.44 179.28 3c18 h ALA 160 N 1.19 0.26 -0.68 1.25 0.00 -0.91 -0.37 119.26 119.99 3c18 h ALA 160 Ca 0.27 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3c18 h ALA 160 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3c18 h ALA 160 CO -0.02 -0.23 0.22 0.00 0.00 0.00 0.00 179.25 179.22 3c18 h ARG 161 N 0.24 1.03 -0.34 0.00 3.08 -1.08 -2.41 114.38 114.89 3c18 h ARG 161 Ca 0.07 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.79 3c18 h ARG 161 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3c18 h ARG 161 CO -0.01 0.88 -0.30 1.25 -1.07 0.00 0.00 179.97 180.72 3c18 h LEU 162 N 1.00 0.76 -0.77 3.04 5.85 -0.62 -1.12 115.31 123.45 3c18 h LEU 162 Ca 0.22 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3c18 h LEU 162 Cb 0.27 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3c18 h LEU 162 CO -0.01 1.00 0.28 0.28 -0.34 0.00 0.00 178.44 179.66 3c18 h SER 163 N 0.62 1.08 -0.34 1.25 0.02 -0.83 0.75 113.55 116.11 3c18 h SER 163 Ca 0.07 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3c18 h SER 163 Cb 0.81 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 3c18 h SER 163 CO 0.07 0.97 -0.26 0.58 -1.14 0.00 0.00 176.83 177.05 3c18 h VAL 164 N 1.12 1.29 -0.97 2.27 2.07 -1.14 -2.56 116.25 118.33 3c18 h VAL 164 Ca 0.25 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.36 3c18 h VAL 164 Cb 0.25 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3c18 h VAL 164 CO -0.02 0.46 0.63 -0.07 0.02 0.00 0.00 177.57 178.60 3c18 h LEU 165 N 0.55 1.12 -1.82 2.57 3.38 -0.89 -2.28 115.31 117.94 3c18 h LEU 165 Ca 0.06 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.01 3c18 h LEU 165 Cb 0.83 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3c18 h LEU 165 CO 0.07 0.82 0.14 -0.33 0.09 0.00 0.00 178.44 179.23 3c18 h GLU 166 N 1.32 0.24 -0.00 1.13 5.08 -0.46 -0.73 114.58 121.15 3c18 h GLU 166 Ca 0.35 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3c18 h GLU 166 Cb -0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3c18 h GLU 166 CO -0.07 0.16 -0.12 1.63 -1.00 0.00 0.00 179.01 179.60 3c18 n LYS 167 N -4.51 0.74 -0.15 2.33 4.01 -0.89 -4.89 118.16 114.80 3c18 n LYS 167 Ca 0.00 -0.28 0.00 0.00 -0.51 0.00 0.00 58.31 57.52 3c18 n LYS 167 Cb 0.10 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.13 3c18 n LYS 167 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3c18 n GLY 168 N 1.28 0.92 3.66 0.72 0.00 -0.28 -5.08 105.19 106.40 3c18 n GLY 168 Ca 0.14 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3c18 n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3c18 s ALA 169 N -2.00 3.18 -0.10 4.61 0.00 -1.02 -4.99 121.76 121.44 3c18 s ALA 169 Ca 0.00 -1.31 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 3c18 s ALA 169 Cb 0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 3c18 s ALA 169 CO 0.00 0.54 1.08 -1.01 0.00 0.00 0.00 175.76 176.37 3c18 s HIS 170 N -1.59 3.38 0.35 0.00 3.76 -1.26 -3.51 115.29 116.42 3c18 s HIS 170 Ca 0.26 1.45 -0.29 0.00 -0.15 0.00 0.00 55.06 56.34 3c18 s HIS 170 Cb -0.10 -3.28 -0.11 0.00 1.11 0.00 0.00 32.58 30.20 3c18 s HIS 170 CO 0.18 -0.62 1.52 -2.30 -0.85 0.00 0.00 174.74 172.67 3c18 n PRO 171 N 5.24 2.69 -3.29 8.40 -0.02 -1.26 -4.99 135.00 141.76 3c18 n PRO 171 Ca 0.10 0.95 -0.22 0.00 -2.02 0.00 0.00 63.50 62.30 3c18 n PRO 171 Cb 0.48 -2.69 0.05 0.00 -0.02 0.00 0.00 33.50 31.31 3c18 n PRO 171 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3c18 s GLU 172 N -1.64 2.23 0.38 -0.52 2.02 -1.26 -5.01 118.70 114.91 3c18 s GLU 172 Ca 0.56 -1.81 0.14 0.00 0.02 0.00 0.00 54.97 53.88 3c18 s GLU 172 Cb -0.48 -2.47 0.75 0.00 0.10 0.00 0.00 34.13 32.03 3c18 s GLU 172 CO 0.59 -0.87 1.83 0.28 0.02 0.00 0.00 175.26 177.12 3c18 h VAL 173 N 0.28 1.22 -3.03 2.63 2.07 -2.05 -3.26 116.25 114.12 3c18 h VAL 173 Ca -0.30 -1.26 -0.79 0.00 0.82 0.00 0.00 66.70 65.17 3c18 h VAL 173 Cb 1.30 1.68 -0.29 0.00 -1.52 0.00 0.00 31.29 32.46 3c18 h VAL 173 CO 0.45 0.36 0.58 1.33 0.02 0.00 0.00 177.57 180.30 3c18 n VAL 174 N -4.06 4.87 0.09 2.57 0.24 -1.26 -4.83 118.33 115.96 3c18 n VAL 174 Ca -0.02 -5.73 -0.07 0.00 -2.04 0.00 0.00 64.34 56.48 3c18 n VAL 174 Cb 0.40 -2.21 -0.00 0.00 -1.47 0.00 0.00 33.84 30.56 3c18 n VAL 174 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3c18 h VAL 175 N 3.48 1.55 0.00 3.34 3.04 -1.98 -3.15 116.25 122.54 3c18 h VAL 175 Ca 0.19 -2.77 0.00 0.00 -1.01 0.00 0.00 66.70 63.11 3c18 h VAL 175 Cb 0.68 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.49 3c18 h VAL 175 CO 1.21 0.80 0.00 -0.50 -1.01 0.00 0.00 177.57 178.07 3c18 h TRP 176 N 0.05 0.00 0.06 3.17 4.06 -1.92 0.59 115.95 121.95 3c18 h TRP 176 Ca -0.03 0.00 -0.32 0.00 2.06 0.00 0.00 58.89 60.60 3c18 h TRP 176 Cb 1.50 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.63 3c18 h TRP 176 CO 0.01 0.00 -1.81 0.93 -3.56 0.00 0.00 178.44 174.02 3c18 h GLU 177 N 0.00 0.12 0.07 0.49 5.08 -1.97 -2.66 114.58 115.71 3c18 h GLU 177 Ca 0.00 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3c18 h GLU 177 Cb 0.51 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3c18 h GLU 177 CO 0.00 0.82 -0.04 1.96 -1.00 0.00 0.00 179.01 180.75 3c18 h GLN 178 N 0.03 -0.10 0.00 2.33 4.20 -1.39 -3.08 115.11 117.11 3c18 h GLN 178 Ca -0.33 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3c18 h GLN 178 Cb 2.02 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.82 3c18 h GLN 178 CO 0.09 0.22 0.00 0.00 -0.67 0.00 0.00 178.83 178.47 3c18 h ALA 179 N 0.47 1.00 0.00 3.87 0.00 0.06 -2.08 119.26 122.57 3c18 h ALA 179 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3c18 h ALA 179 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3c18 h ALA 179 CO 0.02 0.00 0.00 -0.09 0.00 0.00 0.00 179.25 179.18 3c18 h ARG 180 N 0.00 0.00 0.00 0.00 2.43 -1.37 -2.46 114.38 112.97 3c18 h ARG 180 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3c18 h ARG 180 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 3c18 h ARG 180 CO 0.00 0.00 -0.87 1.28 -1.51 0.00 0.00 179.97 178.87 3c18 n LEU 181 N -2.94 1.97 0.14 3.80 4.77 -1.00 -4.19 117.00 119.54 3c18 n LEU 181 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 3c18 n LEU 181 Cb 0.10 0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.69 3c18 n LEU 181 CO 0.19 0.31 0.80 0.47 -1.33 0.00 0.00 177.39 177.84 3c18 n ASP 182 N -2.51 0.51 -2.73 -1.43 8.00 -0.82 -4.17 116.55 113.40 3c18 n ASP 182 Ca 0.00 0.71 -0.01 0.00 0.71 0.00 0.00 54.79 56.20 3c18 n ASP 182 Cb 0.43 -0.79 0.02 0.00 -0.02 0.00 0.00 41.12 40.77 3c18 n ASP 182 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3c18 s ASP 183 N -3.94 -0.45 0.57 -2.24 -1.08 -0.93 -4.78 116.67 103.82 3c18 s ASP 183 Ca -0.01 -0.42 0.27 0.00 -0.52 0.00 0.00 52.55 51.87 3c18 s ASP 183 Cb 0.06 0.58 1.56 0.00 -1.46 0.00 0.00 42.92 43.67 3c18 s ASP 183 CO 0.22 -0.03 2.08 -0.65 0.52 0.00 0.00 175.17 177.31 3c18 h PRO 184 N 4.78 0.00 -0.16 4.34 0.11 -1.72 -1.63 132.00 137.72 3c18 h PRO 184 Ca -0.01 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.96 3c18 h PRO 184 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3c18 h PRO 184 CO -0.08 0.00 -0.50 -0.44 -0.21 0.00 0.00 178.00 176.77 3c18 h ASP 185 N 0.00 0.47 0.28 -2.05 3.32 -1.92 -1.05 116.42 115.47 3c18 h ASP 185 Ca 0.11 -0.24 -0.31 0.00 0.02 0.00 0.00 57.03 56.62 3c18 h ASP 185 Cb 0.56 -0.13 0.03 0.00 0.22 0.00 0.00 39.33 40.00 3c18 h ASP 185 CO -0.00 0.89 -1.34 0.58 -1.72 0.00 0.00 179.24 177.66 3c18 h VAL 186 N 0.34 1.32 -0.72 -1.35 2.07 -1.65 -3.06 116.25 113.21 3c18 h VAL 186 Ca 0.01 -2.66 -0.02 0.00 0.82 0.00 0.00 66.70 64.85 3c18 h VAL 186 Cb 1.00 2.87 -0.03 0.00 -1.52 0.00 0.00 31.29 33.61 3c18 h VAL 186 CO 0.09 0.80 0.35 0.22 0.02 0.00 0.00 177.57 179.05 3c18 h TYR 187 N 0.19 1.03 -0.75 1.57 5.03 -1.34 -2.00 116.97 120.69 3c18 h TYR 187 Ca -0.21 -0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.05 3c18 h TYR 187 Cb 2.02 -0.32 -0.04 0.00 1.55 0.00 0.00 36.73 39.95 3c18 h TYR 187 CO 0.11 0.76 0.44 0.87 -1.32 0.00 0.00 178.16 179.01 3c18 h LYS 188 N 1.00 1.02 -0.51 1.82 1.79 -1.22 0.23 116.57 120.70 3c18 h LYS 188 Ca 0.25 -0.10 0.01 0.00 -2.18 0.00 0.00 60.65 58.63 3c18 h LYS 188 Cb 0.11 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.52 3c18 h LYS 188 CO -0.03 0.73 0.32 -0.07 -1.08 0.00 0.00 179.45 179.33 3c18 h LEU 189 N 1.02 0.55 0.00 2.94 3.38 -1.32 -0.08 115.31 121.80 3c18 h LEU 189 Ca 0.27 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3c18 h LEU 189 Cb -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3c18 h LEU 189 CO -0.05 0.39 -0.00 0.22 0.09 0.00 0.00 178.44 179.09 3c18 h TYR 190 N 0.65 -0.00 -0.41 1.13 3.20 -0.67 -2.10 116.97 118.77 3c18 h TYR 190 Ca 0.19 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3c18 h TYR 190 Cb -0.04 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3c18 h TYR 190 CO -0.05 0.27 0.23 1.49 -1.64 0.00 0.00 178.16 178.46 3c18 h GLU 191 N -0.27 0.56 -0.14 1.82 4.81 -0.29 -1.80 114.58 119.27 3c18 h GLU 191 Ca -0.00 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 58.99 3c18 h GLU 191 Cb 0.27 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3c18 h GLU 191 CO 0.00 0.41 -0.70 1.96 -0.73 0.00 0.00 179.01 179.96 3c18 h GLN 192 N 0.57 0.59 -0.47 1.92 4.20 -0.92 -1.47 115.11 119.53 3c18 h GLN 192 Ca 0.15 -0.45 -0.03 0.00 0.06 0.00 0.00 58.65 58.38 3c18 h GLN 192 Cb 0.01 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3c18 h GLN 192 CO -0.03 1.07 0.15 1.25 -0.67 0.00 0.00 178.83 180.61 3c18 h LEU 193 N 0.42 0.63 0.22 1.46 5.85 -0.63 -0.42 115.31 122.84 3c18 h LEU 193 Ca -0.03 -0.09 -0.31 0.00 0.84 0.00 0.00 57.88 58.29 3c18 h LEU 193 Cb 1.28 -0.16 0.03 0.00 0.37 0.00 0.00 40.66 42.18 3c18 h LEU 193 CO 0.13 0.60 -1.42 -0.07 -0.34 0.00 0.00 178.44 177.34 3c18 h LEU 194 N 0.68 0.74 0.00 2.25 4.07 -1.26 -3.39 115.31 118.39 3c18 h LEU 194 Ca 0.16 -0.93 0.00 0.00 0.08 0.00 0.00 57.88 57.19 3c18 h LEU 194 Cb 0.20 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.70 3c18 h LEU 194 CO -0.01 1.68 -0.79 0.18 -1.08 0.00 0.00 178.44 178.42 3c18 n LEU 195 N -3.77 0.52 -4.75 1.67 4.77 -0.57 -5.00 117.00 109.88 3c18 n LEU 195 Ca -0.18 -0.42 -0.38 0.00 -0.03 0.00 0.00 56.01 55.00 3c18 n LEU 195 Cb 1.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.18 3c18 n LEU 195 CO 0.57 0.13 0.96 -0.44 -1.33 0.00 0.00 177.39 177.28 3c18 s SER 196 N -2.46 5.18 0.00 -1.43 0.01 -0.17 -4.89 113.70 109.94 3c18 s SER 196 Ca 0.03 2.72 0.26 0.00 1.31 0.00 0.00 55.95 60.27 3c18 s SER 196 Cb 0.10 -2.63 0.70 0.00 0.21 0.00 0.00 66.02 64.40 3c18 s SER 196 CO 0.55 -1.63 1.55 -0.62 0.41 0.00 0.00 173.24 173.49 3c18 n GLU 197 N -1.18 1.94 -0.85 12.44 1.02 -1.26 -4.90 120.64 127.85 3c18 n GLU 197 Ca 0.11 -1.37 -0.30 0.00 -0.02 0.00 0.00 57.16 55.58 3c18 n GLU 197 Cb 0.46 -1.47 0.17 0.00 -0.02 0.00 0.00 31.44 30.58 3c18 n GLU 197 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3c18 s GLU 198 N -1.94 0.77 1.09 3.49 0.41 -1.26 -5.01 118.70 116.25 3c18 s GLU 198 Ca 0.34 1.17 -0.12 0.00 -0.41 0.00 0.00 54.97 55.94 3c18 s GLU 198 Cb 0.20 -1.73 0.24 0.00 -1.78 0.00 0.00 34.13 31.07 3c18 s GLU 198 CO 0.31 -2.68 1.06 0.95 -0.49 0.00 0.00 175.26 174.41 3c18 s THR 199 N -2.70 2.07 0.08 3.63 -4.23 -1.26 -4.76 115.64 108.46 3c18 s THR 199 Ca 0.66 0.02 -0.27 0.00 -1.18 0.00 0.00 61.69 60.92 3c18 s THR 199 Cb -0.21 -2.23 -0.17 0.00 1.34 0.00 0.00 72.50 71.22 3c18 s THR 199 CO 0.59 -0.03 1.69 0.25 -0.54 0.00 0.00 174.62 176.58 3c18 h LEU 200 N -2.33 -0.32 -0.90 4.79 5.85 -1.97 -0.59 115.31 119.85 3c18 h LEU 200 Ca -0.58 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.18 3c18 h LEU 200 Cb 1.33 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 3c18 h LEU 200 CO 0.52 -0.22 0.58 1.05 -0.34 0.00 0.00 178.44 180.04 3c18 h GLU 201 N -0.38 1.09 -0.19 1.25 9.09 -1.95 -0.63 114.58 122.87 3c18 h GLU 201 Ca -0.04 -0.07 -0.10 0.00 0.05 0.00 0.00 59.36 59.21 3c18 h GLU 201 Cb 0.29 -0.25 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 3c18 h GLU 201 CO 0.06 0.72 -0.31 1.96 0.05 0.00 0.00 179.01 181.50 3c18 h GLN 202 N 1.12 0.37 -0.42 1.06 4.20 -1.88 -1.56 115.11 118.00 3c18 h GLN 202 Ca 0.36 -0.15 -0.15 0.00 0.06 0.00 0.00 58.65 58.78 3c18 h GLN 202 Cb 0.03 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3c18 h GLN 202 CO -0.13 0.64 -0.32 0.00 -0.67 0.00 0.00 178.83 178.36 3c18 h ARG 203 N 0.32 0.94 -0.34 1.46 3.08 0.03 -1.53 114.38 118.34 3c18 h ARG 203 Ca 0.04 -0.46 -0.17 0.00 0.07 0.00 0.00 59.98 59.47 3c18 h ARG 203 Cb 0.70 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 3c18 h ARG 203 CO 0.05 1.12 -0.44 0.82 -1.07 0.00 0.00 179.97 180.45 3c18 h ILE 204 N 0.79 1.28 0.24 2.04 2.04 -1.03 -2.33 117.51 120.54 3c18 h ILE 204 Ca 0.08 -1.62 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 3c18 h ILE 204 Cb 0.90 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3c18 h ILE 204 CO 0.08 0.53 -0.12 -0.74 0.00 0.00 0.00 178.15 177.91 3c18 h HIS 205 N 0.69 -0.30 -0.18 1.37 2.76 -1.20 -0.16 115.15 118.14 3c18 h HIS 205 Ca 0.04 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3c18 h HIS 205 Cb 1.04 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 3c18 h HIS 205 CO 0.07 -0.17 0.04 -0.07 -1.30 0.00 0.00 177.93 176.50 3c18 h LEU 206 N -0.34 0.22 -0.30 0.26 4.07 -1.29 -1.68 115.31 116.26 3c18 h LEU 206 Ca -0.03 -0.02 -0.20 0.00 0.08 0.00 0.00 57.88 57.71 3c18 h LEU 206 Cb 0.26 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.94 3c18 h LEU 206 CO 0.05 0.24 -0.81 0.00 -1.08 0.00 0.00 178.44 176.84 3c18 h ALA 207 N 1.80 0.49 -0.07 1.53 0.00 -0.79 -2.53 119.26 119.68 3c18 h ALA 207 Ca 0.06 -0.64 -0.16 0.00 0.00 0.00 0.00 54.91 54.17 3c18 h ALA 207 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3c18 h ALA 207 CO -0.00 0.77 -0.66 -0.07 0.00 0.00 0.00 179.25 179.29 3c18 h LEU 208 N 0.29 0.32 -0.41 0.00 3.38 -0.56 0.31 115.31 118.65 3c18 h LEU 208 Ca -0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 3c18 h LEU 208 Cb 1.41 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3c18 h LEU 208 CO 0.14 0.89 0.07 0.40 0.09 0.00 0.00 178.44 180.03 3c18 h ILE 209 N 0.20 1.24 -0.17 1.22 2.04 -1.27 -1.93 117.51 118.84 3c18 h ILE 209 Ca -0.02 -0.86 -0.14 0.00 1.00 0.00 0.00 64.86 64.84 3c18 h ILE 209 Cb 1.20 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3c18 h ILE 209 CO 0.11 0.30 -0.48 1.23 0.00 0.00 0.00 178.15 179.30 3c18 h GLY 210 N 0.52 0.48 0.80 5.37 0.00 -1.33 -2.71 103.07 106.20 3c18 h GLY 210 Ca 0.12 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 3c18 h GLY 210 CO 0.01 0.46 -0.03 1.41 0.00 0.00 0.00 176.54 178.39 3c18 h LEU 211 N 0.35 -0.08 -0.80 3.11 3.38 -0.81 -1.33 115.31 119.13 3c18 h LEU 211 Ca 0.02 -0.18 0.15 0.00 0.09 0.00 0.00 57.88 57.95 3c18 h LEU 211 Cb 0.97 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 3c18 h LEU 211 CO 0.08 0.14 0.36 -0.08 0.09 0.00 0.00 178.44 179.04 3c18 h GLU 212 N -0.30 0.50 -0.27 1.13 4.57 -1.27 0.48 114.58 119.42 3c18 h GLU 212 Ca -0.01 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.06 3c18 h GLU 212 Cb 0.26 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3c18 h GLU 212 CO 0.02 0.33 -0.15 1.25 -1.18 0.00 0.00 179.01 179.27 3c18 h HIS 213 N 0.51 0.67 0.02 0.92 2.76 -1.20 -2.73 115.15 116.10 3c18 h HIS 213 Ca 0.44 -0.17 -0.22 0.00 -2.20 0.00 0.00 60.37 58.22 3c18 h HIS 213 Cb 0.66 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.47 3c18 h HIS 213 CO -0.13 0.84 -0.97 -0.07 -1.30 0.00 0.00 177.93 176.30 3c18 h LEU 214 N 0.31 0.38 -1.17 0.26 3.38 -0.66 -3.04 115.31 114.77 3c18 h LEU 214 Ca 0.06 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3c18 h LEU 214 Cb 0.67 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 3c18 h LEU 214 CO 0.04 1.15 0.52 0.25 0.09 0.00 0.00 178.44 180.49 3c18 h LEU 215 N 0.14 0.94 -1.29 1.67 6.46 -0.02 -1.64 115.31 121.58 3c18 h LEU 215 Ca -0.07 -0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.60 3c18 h LEU 215 Cb 1.62 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.31 3c18 h LEU 215 CO 0.16 0.70 -0.24 1.56 -0.62 0.00 0.00 178.44 179.99 3c18 h GLN 216 N 1.10 0.00 0.00 1.25 1.08 -1.36 -1.47 115.11 115.71 3c18 h GLN 216 Ca 0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.49 3c18 h GLN 216 Cb -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3c18 h GLN 216 CO -0.06 0.24 0.00 -1.13 -0.95 0.00 0.00 178.83 176.93 3c18 n SER 217 N -3.53 0.00 -0.31 1.46 3.41 -0.63 -3.34 113.62 110.68 3c18 n SER 217 Ca -0.01 0.14 0.03 0.00 -0.26 0.00 0.00 58.87 58.78 3c18 n SER 217 Cb 0.40 -0.38 0.05 0.00 -0.26 0.00 0.00 64.21 64.02 3c18 n SER 217 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3c18 n LYS 218 N -1.38 0.94 -0.31 4.33 4.76 -0.57 -4.73 118.16 121.20 3c18 n LYS 218 Ca 0.11 -1.22 -0.02 0.00 -2.87 0.00 0.00 58.31 54.31 3c18 n LYS 218 Cb 0.28 -1.14 0.10 0.00 -1.84 0.00 0.00 35.03 32.43 3c18 n LYS 218 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3c18 h VAL 219 N 1.30 1.15 0.00 -0.18 2.07 -1.53 -1.13 116.25 117.93 3c18 h VAL 219 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3c18 h VAL 219 Cb 0.40 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 3c18 h VAL 219 CO 0.00 0.19 -0.16 -0.07 0.02 0.00 0.00 177.57 177.56 3c18 h LEU 220 N 1.07 0.00 -0.25 2.57 3.38 -1.86 -2.19 115.31 118.04 3c18 h LEU 220 Ca 0.33 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 3c18 h LEU 220 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3c18 h LEU 220 CO -0.11 0.00 -0.29 0.28 0.09 0.00 0.00 178.44 178.42 3c18 h SER 221 N 0.00 0.68 0.89 -0.43 0.02 -1.69 -2.85 113.55 110.16 3c18 h SER 221 Ca 0.00 -0.49 -0.07 0.00 -0.84 0.00 0.00 61.79 60.39 3c18 h SER 221 Cb 0.96 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 3c18 h SER 221 CO 0.00 1.03 -0.32 1.23 -1.14 0.00 0.00 176.83 177.63 3c18 h GLY 222 N 0.34 0.00 0.00 -3.77 0.00 -0.98 -3.28 103.07 95.37 3c18 h GLY 222 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3c18 h GLY 222 CO 0.07 0.00 -1.10 0.61 0.00 0.00 0.00 176.54 176.12 3c18 n GLY 223 N 0.23 -0.62 0.22 4.60 0.00 -0.84 -4.07 105.19 104.70 3c18 n GLY 223 Ca -0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 3c18 n GLY 223 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3c18 h LYS 224 N 0.00 -0.06 -0.53 1.61 3.64 -1.56 0.61 116.57 120.28 3c18 h LYS 224 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3c18 h LYS 224 Cb 0.51 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3c18 h LYS 224 CO 0.00 -0.04 0.34 -0.92 -2.27 0.00 0.00 179.45 176.56 3c18 h TYR 225 N -0.06 0.64 -0.26 1.91 3.20 -1.81 -0.55 116.97 120.04 3c18 h TYR 225 Ca 0.21 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 3c18 h TYR 225 Cb 0.39 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3c18 h TYR 225 CO -0.42 0.39 -0.03 1.25 -1.64 0.00 0.00 178.16 177.71 3c18 h LEU 226 N 0.68 0.48 -1.26 2.82 5.85 -1.47 -2.57 115.31 119.83 3c18 h LEU 226 Ca 0.20 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3c18 h LEU 226 Cb -0.04 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3c18 h LEU 226 CO -0.06 0.70 0.08 -0.26 -0.34 0.00 0.00 178.44 178.56 3c18 h PHE 227 N 0.24 0.60 -0.26 1.25 0.04 -0.77 -2.78 116.94 115.26 3c18 h PHE 227 Ca 0.07 -0.04 -0.16 0.00 2.80 0.00 0.00 57.97 60.64 3c18 h PHE 227 Cb 0.47 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 3c18 h PHE 227 CO 0.04 0.53 -0.48 1.49 -0.60 0.00 0.00 178.31 179.29 3c18 h GLU 228 N 0.57 0.70 -1.16 1.51 4.57 -0.91 -0.68 114.58 119.19 3c18 h GLU 228 Ca 0.13 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3c18 h GLU 228 Cb 0.24 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3c18 h GLU 228 CO -0.00 1.02 0.00 0.28 -1.18 0.00 0.00 179.01 179.13 3c18 n VAL 229 N -4.01 0.22 0.00 0.32 0.31 -0.99 -3.11 118.33 111.08 3c18 n VAL 229 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3c18 n VAL 229 Cb 0.57 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.02 3c18 n VAL 229 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3c18 n ARG 231 N 0.63 0.00 0.02 5.55 1.74 -0.26 -4.39 116.66 119.95 3c18 n ARG 231 Ca 0.00 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 3c18 n ARG 231 Cb 0.14 -0.12 0.27 0.00 -1.02 0.00 0.00 32.46 31.74 3c18 n ARG 231 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3c18 n GLU 232 N 0.12 0.02 -4.19 5.56 1.02 -1.18 -4.62 120.64 117.37 3c18 n GLU 232 Ca 0.00 0.33 -0.17 0.00 -0.02 0.00 0.00 57.16 57.30 3c18 n GLU 232 Cb 0.00 -1.55 -0.12 0.00 -0.02 0.00 0.00 31.44 29.75 3c18 n GLU 232 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3c18 s ARG 233 N -3.05 0.74 -0.22 3.49 1.70 -1.26 -5.03 118.95 115.32 3c18 s ARG 233 Ca 0.05 -0.79 0.06 0.00 -0.47 0.00 0.00 55.73 54.58 3c18 s ARG 233 Cb 0.07 -0.69 0.48 0.00 -0.57 0.00 0.00 34.95 34.25 3c18 s ARG 233 CO 0.22 0.16 1.45 -0.25 -1.08 0.00 0.00 175.30 175.80 3c18 n ASP 234 N 1.63 3.77 -3.80 -2.89 8.00 -1.26 -4.89 116.55 117.11 3c18 n ASP 234 Ca -0.20 -2.82 -0.09 0.00 0.71 0.00 0.00 54.79 52.39 3c18 n ASP 234 Cb 0.55 -0.67 -0.06 0.00 -0.02 0.00 0.00 41.12 40.92 3c18 n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3c18 s ARG 235 N -2.12 1.01 0.86 -1.24 1.70 -1.26 -5.16 118.95 112.74 3c18 s ARG 235 Ca 0.36 -0.92 -0.11 0.00 -0.47 0.00 0.00 55.73 54.60 3c18 s ARG 235 Cb 0.29 0.40 0.11 0.00 -0.57 0.00 0.00 34.95 35.18 3c18 s ARG 235 CO 0.09 -0.37 1.11 -2.14 -1.08 0.00 0.00 175.30 172.91 3c18 s PRO 236 N -3.86 1.50 0.01 3.89 0.02 -1.26 -4.95 135.00 130.35 3c18 s PRO 236 Ca 0.07 1.27 0.03 0.00 0.02 0.00 0.00 61.00 62.39 3c18 s PRO 236 Cb 0.03 -1.80 -0.03 0.00 0.02 0.00 0.00 34.50 32.71 3c18 s PRO 236 CO -0.09 -2.20 -0.05 -1.58 -0.33 0.00 0.00 177.00 172.76 3c18 s TRP 237 N -2.79 2.93 0.00 6.54 0.52 0.78 -4.86 118.94 122.07 3c18 s TRP 237 Ca 0.64 -0.01 0.00 0.00 0.02 0.00 0.00 56.10 56.75 3c18 s TRP 237 Cb -0.20 -1.61 0.00 0.00 -1.15 0.00 0.00 33.47 30.51 3c18 s TRP 237 CO 0.57 0.40 0.00 0.25 0.02 0.00 0.00 176.95 178.20 3c18 n THR 238 N 1.41 0.00 0.00 2.01 -2.24 -1.26 -0.85 114.28 113.35 3c18 n THR 238 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3c18 n THR 238 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3c18 n THR 238 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3c18 n HIS 240 N 0.00 0.00 -0.05 4.78 -0.00 -1.26 -1.52 115.22 117.16 3c18 n HIS 240 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 3c18 n HIS 240 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 3c18 n HIS 240 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 3c18 h GLU 241 N 0.00 0.69 -1.13 1.57 5.08 -1.99 -0.33 114.58 118.47 3c18 h GLU 241 Ca 0.00 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 3c18 h GLU 241 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3c18 h GLU 241 CO 0.00 0.90 0.00 1.28 -1.00 0.00 0.00 179.01 180.19 3c18 n LEU 242 N -4.08 0.82 0.00 1.33 4.77 -0.58 -2.24 117.00 117.02 3c18 n LEU 242 Ca -0.01 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3c18 n LEU 242 Cb 0.46 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3c18 n LEU 242 CO 0.45 0.15 0.00 -0.62 -1.33 0.00 0.00 177.39 176.04 3c18 n GLU 244 N 0.62 0.00 -2.65 3.23 -0.58 -0.13 -4.81 120.64 116.32 3c18 n GLU 244 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 3c18 n GLU 244 Cb 0.15 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.00 3c18 n GLU 244 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3c18 s GLU 245 N 0.00 4.29 0.27 3.49 2.56 -0.95 -4.92 118.70 123.44 3c18 s GLU 245 Ca 0.00 1.39 -0.01 0.00 0.00 0.00 0.00 54.97 56.35 3c18 s GLU 245 Cb 0.00 -3.63 0.51 0.00 2.00 0.00 0.00 34.13 33.01 3c18 s GLU 245 CO 0.00 -0.57 1.81 0.66 -0.56 0.00 0.00 175.26 176.60 3c18 h SER 246 N 7.42 0.77 0.42 -1.70 4.64 -1.91 0.13 113.55 123.32 3c18 h SER 246 Ca -0.22 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3c18 h SER 246 Cb 1.08 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3c18 h SER 246 CO 0.95 0.40 0.00 0.54 -0.87 0.00 0.00 176.83 177.85 3c18 n ARG 247 N -4.71 0.09 -0.13 4.77 1.74 -1.26 -1.84 116.66 115.31 3c18 n ARG 247 Ca 0.17 0.41 0.06 0.00 -0.77 0.00 0.00 57.85 57.72 3c18 n ARG 247 Cb 0.36 -1.70 0.13 0.00 -1.02 0.00 0.00 32.46 30.23 3c18 n ARG 247 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3c18 n LEU 248 N -1.87 2.66 -0.35 0.55 4.77 0.45 -4.64 117.00 118.58 3c18 n LEU 248 Ca 0.02 -1.70 0.13 0.00 -0.03 0.00 0.00 56.01 54.43 3c18 n LEU 248 Cb 0.14 -0.17 0.33 0.00 -2.33 0.00 0.00 43.42 41.39 3c18 n LEU 248 CO 0.13 0.63 1.20 0.00 -1.33 0.00 0.00 177.39 178.02 3c18 h THR 249 N 2.16 0.73 0.00 -5.08 1.03 -1.21 0.20 112.91 110.74 3c18 h THR 249 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 3c18 h THR 249 Cb 0.66 -0.11 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 3c18 h THR 249 CO 0.00 0.14 0.00 -0.33 -0.01 0.00 0.00 175.52 175.32 3c18 h GLU 250 N 0.77 0.00 -0.10 0.00 4.39 -1.82 -3.06 114.58 114.76 3c18 h GLU 250 Ca 0.56 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.26 3c18 h GLU 250 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3c18 h GLU 250 CO -0.35 0.00 0.00 1.28 -1.16 0.00 0.00 179.01 178.78 3c18 n LEU 251 N -2.32 2.88 -0.28 1.33 4.77 0.69 -4.58 117.00 119.50 3c18 n LEU 251 Ca 0.03 -1.12 0.09 0.00 -0.03 0.00 0.00 56.01 54.98 3c18 n LEU 251 Cb 0.28 -0.05 0.24 0.00 -2.33 0.00 0.00 43.42 41.56 3c18 n LEU 251 CO 0.23 0.53 0.97 0.11 -1.33 0.00 0.00 177.39 177.90 3c18 h LYS 252 N 4.11 0.30 0.00 3.23 1.57 -1.40 0.12 116.57 124.49 3c18 h LYS 252 Ca 0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3c18 h LYS 252 Cb 0.89 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3c18 h LYS 252 CO 0.00 0.20 -0.22 0.28 -0.57 0.00 0.00 179.45 179.14 3c18 h VAL 253 N 0.31 1.11 0.00 0.50 2.07 -1.86 -3.05 116.25 115.33 3c18 h VAL 253 Ca 0.49 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3c18 h VAL 253 Cb 0.89 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3c18 h VAL 253 CO -0.54 0.22 -0.91 0.47 0.02 0.00 0.00 177.57 176.82 3c18 n ASP 254 N -4.21 0.85 -0.20 0.57 8.00 0.06 -4.64 116.55 116.97 3c18 n ASP 254 Ca -0.02 -0.70 -0.01 0.00 0.71 0.00 0.00 54.79 54.77 3c18 n ASP 254 Cb 0.28 1.14 0.10 0.00 -0.02 0.00 0.00 41.12 42.62 3c18 n ASP 254 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3c18 h LEU 255 N 0.00 0.26 -0.49 0.64 5.85 -0.76 -0.69 115.31 120.12 3c18 h LEU 255 Ca 0.00 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.85 3c18 h LEU 255 Cb 0.43 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3c18 h LEU 255 CO 0.00 0.16 0.17 1.23 -0.34 0.00 0.00 178.44 179.67 3c18 h GLY 256 N 0.44 0.65 1.32 3.75 0.00 -1.82 -0.38 103.07 107.02 3c18 h GLY 256 Ca 0.30 -0.10 -0.18 0.00 0.00 0.00 0.00 47.33 47.35 3c18 h GLY 256 CO -0.28 0.01 -0.57 1.76 0.00 0.00 0.00 176.54 177.47 3c18 h SER 257 N 0.35 0.80 -0.19 0.19 0.02 -1.68 -1.75 113.55 111.29 3c18 h SER 257 Ca 0.23 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 3c18 h SER 257 Cb 0.24 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3c18 h SER 257 CO -0.24 1.19 0.02 -0.07 -1.14 0.00 0.00 176.83 176.60 3c18 h LEU 258 N 0.54 0.30 -0.59 5.07 3.38 -0.84 -1.47 115.31 121.70 3c18 h LEU 258 Ca 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3c18 h LEU 258 Cb 1.15 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3c18 h LEU 258 CO 0.12 0.50 0.19 0.58 0.09 0.00 0.00 178.44 179.92 3c18 h VAL 259 N 0.09 1.24 -0.57 1.22 2.07 -1.03 -1.21 116.25 118.07 3c18 h VAL 259 Ca 0.06 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3c18 h VAL 259 Cb 0.33 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3c18 h VAL 259 CO 0.01 0.30 0.23 -0.78 0.02 0.00 0.00 177.57 177.35 3c18 h ASP 260 N 0.83 0.75 -0.34 0.57 1.82 -1.20 -0.56 116.42 118.29 3c18 h ASP 260 Ca 0.19 -0.09 -0.12 0.00 -0.39 0.00 0.00 57.03 56.62 3c18 h ASP 260 Cb 0.27 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 3c18 h ASP 260 CO -0.01 0.67 -0.27 0.15 -1.61 0.00 0.00 179.24 178.17 3c18 h PHE 261 N 0.81 0.93 0.00 0.28 3.57 -0.63 -2.53 116.94 119.37 3c18 h PHE 261 Ca 0.19 -0.26 -0.13 0.00 3.53 0.00 0.00 57.97 61.31 3c18 h PHE 261 Cb 0.15 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3c18 h PHE 261 CO 0.01 1.02 -0.60 0.74 -2.23 0.00 0.00 178.31 177.25 3c18 h PHE 262 N 0.57 0.00 -0.62 0.41 0.04 -0.70 -2.18 116.94 114.45 3c18 h PHE 262 Ca 0.06 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 3c18 h PHE 262 Cb 0.83 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 3c18 h PHE 262 CO 0.07 0.60 0.12 0.82 -0.60 0.00 0.00 178.31 179.32 3c18 h ILE 263 N 0.00 1.26 0.00 -0.55 2.04 -1.05 0.10 117.51 119.31 3c18 h ILE 263 Ca -0.01 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 3c18 h ILE 263 Cb 1.27 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3c18 h ILE 263 CO 0.08 0.36 -0.01 0.03 0.00 0.00 0.00 178.15 178.61 3c18 h ARG 264 N 0.93 0.00 -0.01 2.37 3.08 -0.97 -1.75 114.38 118.04 3c18 h ARG 264 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3c18 h ARG 264 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3c18 h ARG 264 CO 0.01 0.01 -0.44 1.63 -1.07 0.00 0.00 179.97 180.12 3c18 n LYS 265 N -3.11 0.58 -1.30 0.04 4.76 -0.87 -4.93 118.16 113.32 3c18 n LYS 265 Ca 0.00 -0.39 -0.03 0.00 -2.87 0.00 0.00 58.31 55.02 3c18 n LYS 265 Cb 0.31 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.99 3c18 n LYS 265 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3c18 n GLY 266 N 1.41 0.56 0.05 0.72 0.00 -0.66 -4.92 105.19 102.35 3c18 n GLY 266 Ca 0.09 -0.89 0.08 0.00 0.00 0.00 0.00 46.02 45.31 3c18 n GLY 266 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3c18 n LEU 267 N -0.41 0.28 -4.22 0.99 4.77 0.29 -4.76 117.00 113.94 3c18 n LEU 267 Ca -0.04 0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.78 3c18 n LEU 267 Cb 0.20 0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.16 3c18 n LEU 267 CO 0.05 0.01 -0.53 -0.63 -1.33 0.00 0.00 177.39 174.95 3c18 s ILE 268 N -3.35 1.70 -0.20 -0.08 1.01 -1.05 -1.07 121.20 118.17 3c18 s ILE 268 Ca -0.06 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 3c18 s ILE 268 Cb 0.12 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3c18 s ILE 268 CO 0.87 0.48 0.05 -0.60 0.00 0.00 0.00 174.94 175.74 3c18 s ARG 269 N -0.31 3.87 -0.16 2.79 3.52 0.13 -4.26 118.95 124.52 3c18 s ARG 269 Ca 0.03 -0.39 -0.11 0.00 -0.13 0.00 0.00 55.73 55.12 3c18 s ARG 269 Cb -0.10 -3.21 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 3c18 s ARG 269 CO 0.01 0.16 0.21 -1.50 -0.81 0.00 0.00 175.30 173.36 3c18 s ILE 270 N 0.68 5.37 0.29 4.11 2.07 -1.26 -1.81 121.20 130.64 3c18 s ILE 270 Ca 0.03 0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.64 3c18 s ILE 270 Cb -0.13 -3.53 -0.00 0.00 0.13 0.00 0.00 42.46 38.92 3c18 s ILE 270 CO 0.02 0.46 0.36 -1.54 -1.91 0.00 0.00 174.94 172.32 3c18 n SER 271 N 3.19 -0.97 -3.82 4.50 3.41 -0.61 -4.99 113.62 114.33 3c18 n SER 271 Ca -0.15 -2.65 -0.19 0.00 -0.26 0.00 0.00 58.87 55.62 3c18 n SER 271 Cb 0.52 1.90 -0.17 0.00 -0.26 0.00 0.00 64.21 66.21 3c18 n SER 271 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3c18 s TYR 272 N -3.22 0.49 -0.21 7.33 1.51 -1.26 -0.57 117.35 121.41 3c18 s TYR 272 Ca 0.27 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.24 3c18 s TYR 272 Cb -0.00 -0.56 0.01 0.00 -0.11 0.00 0.00 41.96 41.30 3c18 s TYR 272 CO 0.19 -0.19 -0.11 -1.14 -1.11 0.00 0.00 175.55 173.19 3c18 s GLN 273 N 1.25 3.05 0.00 -0.62 2.00 -0.20 -4.92 119.66 120.22 3c18 s GLN 273 Ca -0.06 -0.82 -0.23 0.00 -2.00 0.00 0.00 55.36 52.25 3c18 s GLN 273 Cb -0.13 -2.84 -0.05 0.00 0.80 0.00 0.00 33.01 30.79 3c18 s GLN 273 CO -0.02 -0.27 0.68 0.50 -0.50 0.00 0.00 175.29 175.68 3c18 s ARG 274 N 1.35 4.41 0.16 1.67 3.52 -1.26 -0.70 118.95 128.10 3c18 s ARG 274 Ca 0.03 0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 56.23 3c18 s ARG 274 Cb -0.15 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.80 3c18 s ARG 274 CO -0.07 0.27 1.15 0.99 -0.81 0.00 0.00 175.30 176.83 3c18 s THR 275 N 0.06 3.82 0.17 4.11 2.01 -0.99 -4.93 115.64 119.88 3c18 s THR 275 Ca 0.35 1.50 -0.32 0.00 0.31 0.00 0.00 61.69 63.54 3c18 s THR 275 Cb -0.19 -3.96 -0.11 0.00 0.01 0.00 0.00 72.50 68.25 3c18 s THR 275 CO 0.20 0.22 1.76 -0.54 -0.69 0.00 0.00 174.62 175.57 3c18 s LYS 276 N -0.05 4.13 0.00 4.92 1.02 -1.26 -1.00 119.74 127.51 3c18 s LYS 276 Ca 0.52 2.60 0.00 0.00 0.02 0.00 0.00 55.97 59.11 3c18 s LYS 276 Cb -0.30 -3.30 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 3c18 s LYS 276 CO 0.34 -0.79 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 3c18 n GLY 277 N 4.08 1.32 3.43 -3.33 0.00 -1.26 -5.03 105.19 104.40 3c18 n GLY 277 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 3c18 n GLY 277 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3c18 s LEU 278 N 0.00 2.45 -0.02 0.99 1.43 -0.17 -5.06 118.68 118.30 3c18 s LEU 278 Ca 0.00 -1.21 0.14 0.00 -1.03 0.00 0.00 54.13 52.04 3c18 s LEU 278 Cb 0.00 -0.60 -0.20 0.00 0.03 0.00 0.00 46.19 45.42 3c18 s LEU 278 CO 0.00 -0.38 0.67 0.61 0.23 0.00 0.00 176.35 177.49 3c18 n GLY 279 N -0.58 -1.06 3.76 -3.19 0.00 -1.26 -4.44 105.19 98.42 3c18 n GLY 279 Ca -0.05 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3c18 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c18 s VAL 280 N -2.71 2.89 0.02 1.61 0.11 -1.26 -4.89 120.40 116.17 3c18 s VAL 280 Ca -0.04 0.87 0.04 0.00 -2.93 0.00 0.00 61.98 59.92 3c18 s VAL 280 Cb 0.08 -3.55 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 3c18 s VAL 280 CO 0.82 0.20 -0.07 -1.61 -3.33 0.00 0.00 175.10 171.11 3c18 s GLU 281 N -1.52 2.47 -0.16 1.54 2.02 -1.26 -2.35 118.70 119.44 3c18 s GLU 281 Ca 0.49 -0.78 -0.08 0.00 0.02 0.00 0.00 54.97 54.62 3c18 s GLU 281 Cb -0.38 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 3c18 s GLU 281 CO 0.49 0.58 0.11 -0.51 0.02 0.00 0.00 175.26 175.96 3c18 s LEU 282 N -1.57 4.16 0.27 1.80 1.02 0.12 -4.86 118.68 119.62 3c18 s LEU 282 Ca 0.18 0.28 -0.29 0.00 0.02 0.00 0.00 54.13 54.31 3c18 s LEU 282 Cb -0.11 -2.04 -0.09 0.00 0.02 0.00 0.00 46.19 43.96 3c18 s LEU 282 CO 0.09 0.27 1.12 -0.69 0.02 0.00 0.00 176.35 177.16 3c18 s VAL 283 N -0.20 3.47 0.11 -1.59 1.01 -1.26 -1.04 120.40 120.90 3c18 s VAL 283 Ca 0.10 1.45 0.06 0.00 0.00 0.00 0.00 61.98 63.59 3c18 s VAL 283 Cb -0.12 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3c18 s VAL 283 CO 0.01 0.33 -0.15 0.42 0.00 0.00 0.00 175.10 175.71 3c18 s THR 284 N -1.04 1.37 -0.02 3.92 -4.23 0.27 -4.36 115.64 111.54 3c18 s THR 284 Ca 0.45 -1.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.34 3c18 s THR 284 Cb -0.32 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.05 3c18 s THR 284 CO 0.41 -0.34 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.78 3c18 s TYR 285 N -1.88 0.65 -0.11 3.99 2.02 -0.03 -1.57 117.35 120.41 3c18 s TYR 285 Ca 0.07 -0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.54 3c18 s TYR 285 Cb -0.06 -0.50 0.04 0.00 -0.40 0.00 0.00 41.96 41.04 3c18 s TYR 285 CO 0.03 -0.08 0.29 -2.00 -1.57 0.00 0.00 175.55 172.21 3c18 s GLU 286 N 0.29 0.30 0.47 -0.62 2.12 -0.75 -0.16 118.70 120.35 3c18 s GLU 286 Ca -0.04 0.47 -0.24 0.00 0.36 0.00 0.00 54.97 55.52 3c18 s GLU 286 Cb -0.08 0.06 -0.07 0.00 0.26 0.00 0.00 34.13 34.30 3c18 s GLU 286 CO -0.00 -0.09 1.36 -2.14 -0.54 0.00 0.00 175.26 173.86 3c18 s PRO 287 N 0.59 3.61 0.06 4.30 0.02 -1.26 0.18 135.00 142.51 3c18 s PRO 287 Ca -0.04 2.27 -0.09 0.00 0.02 0.00 0.00 61.00 63.17 3c18 s PRO 287 Cb -0.05 -2.56 -0.30 0.00 0.02 0.00 0.00 34.50 31.61 3c18 s PRO 287 CO -0.03 -0.82 1.10 0.28 -0.33 0.00 0.00 177.00 177.19 3c18 h VAL 288 N 2.09 1.41 0.00 3.83 2.07 -1.40 -3.45 116.25 120.81 3c18 h VAL 288 Ca -0.50 -2.88 0.00 0.00 0.82 0.00 0.00 66.70 64.13 3c18 h VAL 288 Cb 1.27 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.98 3c18 h VAL 288 CO 0.60 0.85 0.00 1.33 0.02 0.00 0.00 177.57 180.37