#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3v s ALA 3 N 0.00 3.44 -0.09 4.61 0.00 -1.26 -5.06 121.76 123.41 2h3v s ALA 3 Ca 0.00 0.11 -0.20 0.00 0.00 0.00 0.00 51.96 51.87 2h3v s ALA 3 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2h3v s ALA 3 CO 0.00 0.35 0.55 1.03 0.00 0.00 0.00 175.76 177.69 2h3v s ARG 4 N -1.99 4.35 -0.52 0.00 0.52 -1.26 -5.04 118.95 115.01 2h3v s ARG 4 Ca 0.42 0.60 0.02 0.00 -0.52 0.00 0.00 55.73 56.25 2h3v s ARG 4 Cb -0.16 -3.42 0.13 0.00 0.52 0.00 0.00 34.95 32.02 2h3v s ARG 4 CO 0.21 0.17 0.28 0.00 0.02 0.00 0.00 175.30 175.98 2h3v s ALA 5 N 0.53 3.33 0.30 2.13 0.00 -1.26 -5.06 121.76 121.73 2h3v s ALA 5 Ca 0.30 -3.17 -0.05 0.00 0.00 0.00 0.00 51.96 49.03 2h3v s ALA 5 Cb -0.16 -2.28 0.02 0.00 0.00 0.00 0.00 23.12 20.70 2h3v s ALA 5 CO 0.13 -2.00 0.49 0.45 0.00 0.00 0.00 175.76 174.83 2h3v n SER 6 N 3.37 -1.39 0.00 0.00 2.88 -1.26 -5.12 113.62 112.09 2h3v n SER 6 Ca 0.05 -2.45 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 2h3v n SER 6 Cb 0.35 2.46 0.00 0.00 -0.75 0.00 0.00 64.21 66.27 2h3v n SER 6 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2h3v n VAL 7 N -0.46 0.00 -4.11 2.46 0.31 -1.26 -4.73 118.33 110.54 2h3v n VAL 7 Ca -0.02 0.29 -0.35 0.00 -0.01 0.00 0.00 64.34 64.25 2h3v n VAL 7 Cb 0.48 -1.26 -0.11 0.00 -0.91 0.00 0.00 33.84 32.04 2h3v n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2h3v s LEU 8 N -4.42 3.46 1.13 7.52 1.43 -1.26 -4.76 118.68 121.78 2h3v s LEU 8 Ca 0.00 -0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 2h3v s LEU 8 Cb 0.00 -1.87 0.27 0.00 0.03 0.00 0.00 46.19 44.62 2h3v s LEU 8 CO 0.00 0.12 1.24 -0.94 0.23 0.00 0.00 176.35 176.99 2h3v s SER 9 N 0.69 1.64 0.20 2.29 1.04 -1.26 -4.55 113.70 113.75 2h3v s SER 9 Ca 0.01 0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 2h3v s SER 9 Cb -0.14 -0.35 0.26 0.00 0.10 0.00 0.00 66.02 65.89 2h3v s SER 9 CO 0.02 -3.65 1.69 1.23 0.98 0.00 0.00 173.24 173.50 2h3v h GLY 10 N -2.27 0.64 0.78 7.32 0.00 -1.99 0.34 103.07 107.90 2h3v h GLY 10 Ca -0.43 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 2h3v h GLY 10 CO 0.29 -0.15 -0.01 -1.33 0.00 0.00 0.00 176.54 175.35 2h3v h GLY 11 N 0.17 -0.02 1.36 4.60 0.00 -2.00 -2.03 103.07 105.15 2h3v h GLY 11 Ca 0.29 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2h3v h GLY 11 CO -0.44 -0.01 0.38 0.83 0.00 0.00 0.00 176.54 177.30 2h3v h GLU 12 N -0.24 0.85 -0.56 4.80 5.08 -1.78 -2.36 114.58 120.37 2h3v h GLU 12 Ca -0.00 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2h3v h GLU 12 Cb 0.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2h3v h GLU 12 CO 0.00 0.60 0.15 1.25 -1.00 0.00 0.00 179.01 180.00 2h3v h LEU 13 N 0.87 0.84 -0.39 1.33 7.12 -0.19 0.24 115.31 125.13 2h3v h LEU 13 Ca 0.23 -0.23 0.05 0.00 0.13 0.00 0.00 57.88 58.06 2h3v h LEU 13 Cb -0.04 -0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 39.82 2h3v h LEU 13 CO -0.04 0.85 0.11 -0.78 -0.13 0.00 0.00 178.44 178.45 2h3v h ASP 14 N 0.79 0.09 -0.13 1.25 3.58 -0.83 -1.13 116.42 120.05 2h3v h ASP 14 Ca 0.18 0.05 -0.22 0.00 0.42 0.00 0.00 57.03 57.46 2h3v h ASP 14 Cb 0.33 0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.44 2h3v h ASP 14 CO 0.00 0.09 -0.77 0.11 -2.88 0.00 0.00 179.24 175.79 2h3v h LYS 15 N 0.25 0.74 -1.01 0.28 1.57 -1.37 -3.19 116.57 113.86 2h3v h LYS 15 Ca 0.18 -0.63 0.15 0.00 -1.87 0.00 0.00 60.65 58.48 2h3v h LYS 15 Cb 0.19 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 2h3v h LYS 15 CO -0.21 1.24 0.63 2.35 -0.57 0.00 0.00 179.45 182.88 2h3v h TRP 16 N 0.46 1.12 0.00 -1.35 2.91 -0.15 0.29 115.95 119.23 2h3v h TRP 16 Ca -0.06 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.94 2h3v h TRP 16 Cb 1.41 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 29.70 2h3v h TRP 16 CO 0.09 0.37 -0.25 0.93 -1.03 0.00 0.00 178.44 178.56 2h3v h GLU 17 N 0.91 0.00 0.19 2.65 5.08 -1.22 -3.03 114.58 119.17 2h3v h GLU 17 Ca 0.53 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.60 2h3v h GLU 17 Cb 0.64 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.93 2h3v h GLU 17 CO -0.31 0.25 -1.27 0.87 -1.00 0.00 0.00 179.01 177.55 2h3v h LYS 18 N 0.00 0.52 -6.50 2.33 1.79 -0.51 -3.32 116.57 110.88 2h3v h LYS 18 Ca -0.00 -0.82 -0.60 0.00 -2.18 0.00 0.00 60.65 57.05 2h3v h LYS 18 Cb 0.63 0.29 0.08 0.00 -1.58 0.00 0.00 32.23 31.66 2h3v h LYS 18 CO 0.03 1.38 0.54 -0.89 -1.08 0.00 0.00 179.45 179.43 2h3v n ILE 19 N -3.83 0.82 -3.56 1.86 5.41 -0.16 -4.70 119.36 115.19 2h3v n ILE 19 Ca -0.15 -0.20 -0.29 0.00 1.00 0.00 0.00 62.75 63.11 2h3v n ILE 19 Cb 1.01 -1.30 -0.03 0.00 -0.71 0.00 0.00 39.64 38.61 2h3v n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2h3v s ARG 20 N -0.25 3.58 0.26 0.38 0.52 -1.09 -0.14 118.95 122.21 2h3v s ARG 20 Ca 0.71 -0.17 0.01 0.00 -0.52 0.00 0.00 55.73 55.76 2h3v s ARG 20 Cb -0.71 -2.77 0.34 0.00 0.52 0.00 0.00 34.95 32.33 2h3v s ARG 20 CO 0.49 0.34 1.69 -0.07 0.02 0.00 0.00 175.30 177.77 2h3v h LEU 21 N 2.03 0.54 -8.56 2.53 3.38 -1.44 -2.38 115.31 111.41 2h3v h LEU 21 Ca -0.48 -0.19 -0.28 0.00 0.09 0.00 0.00 57.88 57.02 2h3v h LEU 21 Cb 1.19 -0.15 -0.15 0.00 0.09 0.00 0.00 40.66 41.64 2h3v h LEU 21 CO 0.68 0.80 -0.71 -0.13 0.09 0.00 0.00 178.44 179.17 2h3v s ARG 22 N -4.47 0.96 0.27 1.13 0.52 -1.26 -3.32 118.95 112.77 2h3v s ARG 22 Ca -0.07 -1.39 0.04 0.00 -0.52 0.00 0.00 55.73 53.79 2h3v s ARG 22 Cb 0.13 -0.44 0.36 0.00 0.52 0.00 0.00 34.95 35.52 2h3v s ARG 22 CO 0.80 0.04 1.65 -1.00 0.02 0.00 0.00 175.30 176.81 2h3v h PRO 23 N 2.88 0.31 -0.28 3.54 0.13 -1.89 -3.13 132.00 133.56 2h3v h PRO 23 Ca -0.36 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2h3v h PRO 23 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2h3v h PRO 23 CO 0.64 0.70 0.00 0.41 -0.23 0.00 0.00 178.00 179.52 2h3v n GLY 24 N -0.05 3.93 3.75 1.56 0.00 -1.26 -5.00 105.19 108.12 2h3v n GLY 24 Ca -0.02 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 2h3v n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h3v s GLY 25 N -1.84 2.26 -0.09 -0.02 0.00 -1.18 -5.05 107.32 101.39 2h3v s GLY 25 Ca 0.42 -2.05 0.14 0.00 0.00 0.00 0.00 44.72 43.23 2h3v s GLY 25 CO 0.10 -1.87 0.16 0.58 0.00 0.00 0.00 173.10 172.07 2h3v n LYS 26 N -1.25 1.22 -1.47 2.90 2.85 -1.26 -4.76 118.16 116.38 2h3v n LYS 26 Ca -0.01 -0.06 -0.48 0.00 -1.05 0.00 0.00 58.31 56.71 2h3v n LYS 26 Cb 0.64 -1.36 -0.07 0.00 -0.65 0.00 0.00 35.03 33.59 2h3v n LYS 26 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2h3v n LYS 27 N -2.32 1.14 -2.10 -1.58 4.81 -1.26 -4.90 118.16 111.95 2h3v n LYS 27 Ca -0.15 0.28 -0.28 0.00 -0.87 0.00 0.00 58.31 57.30 2h3v n LYS 27 Cb 0.74 -2.60 0.06 0.00 0.02 0.00 0.00 35.03 33.24 2h3v n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2h3v s GLN 28 N 6.54 2.56 0.39 1.64 1.11 -1.26 -1.23 119.66 129.41 2h3v s GLN 28 Ca 1.09 0.11 -0.21 0.00 0.01 0.00 0.00 55.36 56.36 2h3v s GLN 28 Cb -0.75 -2.11 -0.10 0.00 -1.01 0.00 0.00 33.01 29.04 2h3v s GLN 28 CO 0.45 -1.10 0.92 0.71 0.01 0.00 0.00 175.29 176.28 2h3v s TYR 29 N -3.28 3.39 0.15 0.91 2.02 0.81 -4.69 117.35 116.67 2h3v s TYR 29 Ca 0.58 1.59 -0.08 0.00 -0.37 0.00 0.00 57.07 58.79 2h3v s TYR 29 Cb -0.11 -2.82 -0.01 0.00 -0.40 0.00 0.00 41.96 38.62 2h3v s TYR 29 CO 0.48 -0.02 0.25 0.21 -1.57 0.00 0.00 175.55 174.90 2h3v s LYS 30 N -2.93 1.11 0.52 -0.62 2.20 -1.26 -4.19 119.74 114.58 2h3v s LYS 30 Ca 0.58 -1.18 0.29 0.00 -0.36 0.00 0.00 55.97 55.30 2h3v s LYS 30 Cb -0.11 0.36 1.43 0.00 -1.51 0.00 0.00 37.83 38.00 2h3v s LYS 30 CO 0.16 -0.39 1.91 1.25 -0.36 0.00 0.00 175.35 177.91 2h3v h LEU 31 N 2.59 0.04 -1.30 5.43 5.85 -1.97 0.60 115.31 126.55 2h3v h LEU 31 Ca -0.32 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.60 2h3v h LEU 31 Cb 1.22 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 2h3v h LEU 31 CO 0.50 0.02 0.61 0.11 -0.34 0.00 0.00 178.44 179.33 2h3v h LYS 32 N 0.04 0.56 0.04 1.25 6.56 -1.99 0.10 116.57 123.14 2h3v h LYS 32 Ca 0.39 -0.03 -0.24 0.00 -1.06 0.00 0.00 60.65 59.71 2h3v h LYS 32 Cb 1.51 -0.13 0.01 0.00 -0.57 0.00 0.00 32.23 33.05 2h3v h LYS 32 CO -0.02 0.37 -1.04 0.45 -2.06 0.00 0.00 179.45 177.14 2h3v h HIS 33 N 0.58 0.61 -0.43 -1.35 3.86 -1.29 -0.83 115.15 116.30 2h3v h HIS 33 Ca 0.51 -0.37 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 2h3v h HIS 33 Cb 1.03 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.43 2h3v h HIS 33 CO -0.00 1.21 -0.10 0.82 0.86 0.00 0.00 177.93 180.72 2h3v h ILE 34 N 0.19 1.25 0.19 2.45 2.04 -1.04 -2.75 117.51 119.84 2h3v h ILE 34 Ca -0.10 -1.14 -0.31 0.00 1.00 0.00 0.00 64.86 64.30 2h3v h ILE 34 Cb 1.71 1.03 0.02 0.00 -0.74 0.00 0.00 36.82 38.83 2h3v h ILE 34 CO 0.18 0.39 -1.44 0.58 0.00 0.00 0.00 178.15 177.86 2h3v h VAL 35 N 0.70 1.30 -0.56 1.67 2.07 -1.23 -2.98 116.25 117.22 2h3v h VAL 35 Ca 0.12 -2.83 0.09 0.00 0.82 0.00 0.00 66.70 64.90 2h3v h VAL 35 Cb 0.57 2.94 -0.03 0.00 -1.52 0.00 0.00 31.29 33.25 2h3v h VAL 35 CO 0.03 0.85 0.37 -0.25 0.02 0.00 0.00 177.57 178.59 2h3v h TRP 36 N 0.11 0.40 0.06 1.57 7.01 -1.07 -0.98 115.95 123.06 2h3v h TRP 36 Ca -0.22 0.01 -0.26 0.00 2.11 0.00 0.00 58.89 60.53 2h3v h TRP 36 Cb 2.07 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 28.99 2h3v h TRP 36 CO 0.09 0.20 -1.31 0.00 -2.79 0.00 0.00 178.44 174.64 2h3v h ALA 37 N 1.71 0.32 -0.27 2.65 0.00 -1.56 -3.03 119.26 119.08 2h3v h ALA 37 Ca 0.25 -1.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.10 2h3v h ALA 37 Cb 0.49 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2h3v h ALA 37 CO -0.07 1.20 0.08 1.03 0.00 0.00 0.00 179.25 181.50 2h3v h SER 38 N 0.04 0.40 -0.45 0.00 0.87 -1.08 0.24 113.55 113.57 2h3v h SER 38 Ca -0.14 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.09 2h3v h SER 38 Cb 1.92 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.76 2h3v h SER 38 CO 0.15 0.50 -0.15 0.03 -0.53 0.00 0.00 176.83 176.83 2h3v h ARG 39 N 0.28 0.94 0.00 2.24 2.47 -1.36 -2.63 114.38 116.32 2h3v h ARG 39 Ca 0.09 -0.36 -0.08 0.00 -1.26 0.00 0.00 59.98 58.37 2h3v h ARG 39 Cb 0.25 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2h3v h ARG 39 CO -0.00 1.02 -0.40 1.49 0.56 0.00 0.00 179.97 182.64 2h3v h GLU 40 N 0.83 0.00 0.24 0.04 4.57 -1.40 -3.17 114.58 115.69 2h3v h GLU 40 Ca 0.12 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 2h3v h GLU 40 Cb 0.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2h3v h GLU 40 CO 0.05 0.40 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.10 2h3v h LEU 41 N 0.00 -0.27 -2.07 1.64 3.38 -0.24 -3.02 115.31 114.74 2h3v h LEU 41 Ca -0.00 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.82 2h3v h LEU 41 Cb 0.96 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 2h3v h LEU 41 CO 0.05 0.15 0.34 -0.08 0.09 0.00 0.00 178.44 178.99 2h3v h GLU 42 N -0.75 0.00 0.00 1.13 4.81 -0.53 0.25 114.58 119.50 2h3v h GLU 42 Ca -0.03 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.12 2h3v h GLU 42 Cb 0.50 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2h3v h GLU 42 CO 0.05 0.00 -0.38 -0.09 -0.73 0.00 0.00 179.01 177.86 2h3v h ARG 43 N 0.00 0.00 -0.94 1.92 2.43 -1.50 -2.64 114.38 113.65 2h3v h ARG 43 Ca 0.17 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.00 2h3v h ARG 43 Cb 0.84 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 30.18 2h3v h ARG 43 CO -0.00 0.38 0.43 1.19 -1.51 0.00 0.00 179.97 180.46 2h3v n PHE 44 N -3.93 2.32 -1.64 2.20 3.72 0.83 -4.85 117.46 116.12 2h3v n PHE 44 Ca -0.02 -1.40 -0.17 0.00 -0.05 0.00 0.00 57.45 55.81 2h3v n PHE 44 Cb 0.43 -0.74 -0.06 0.00 -0.94 0.00 0.00 39.48 38.17 2h3v n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3v n ALA 45 N -0.58 -0.30 -3.95 4.37 0.00 -0.99 -4.97 120.51 114.08 2h3v n ALA 45 Ca 0.43 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.79 2h3v n ALA 45 Cb 1.37 -1.79 -0.15 0.00 0.00 0.00 0.00 19.45 18.88 2h3v n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h3v s VAL 46 N -2.67 2.41 0.48 0.00 1.01 -0.79 -4.99 120.40 115.85 2h3v s VAL 46 Ca 0.00 -1.21 -0.24 0.00 0.00 0.00 0.00 61.98 60.54 2h3v s VAL 46 Cb 0.00 -2.23 -0.07 0.00 0.00 0.00 0.00 36.38 34.08 2h3v s VAL 46 CO 0.00 0.22 1.35 0.20 0.00 0.00 0.00 175.10 176.87 2h3v s ASN 47 N 1.24 5.74 0.11 3.32 -0.87 -1.26 -0.65 114.94 122.57 2h3v s ASN 47 Ca -0.02 2.74 0.18 0.00 -1.57 0.00 0.00 52.86 54.20 2h3v s ASN 47 Cb -0.17 -2.64 0.77 0.00 -0.02 0.00 0.00 41.25 39.19 2h3v s ASN 47 CO -0.07 -1.25 1.56 -0.81 -2.57 0.00 0.00 177.10 173.96 2h3v n PRO 48 N -0.51 0.08 0.06 -0.60 -0.04 -1.26 -2.80 135.00 129.93 2h3v n PRO 48 Ca 0.07 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 63.93 2h3v n PRO 48 Cb 0.44 -1.66 0.32 0.00 -0.04 0.00 0.00 33.50 32.56 2h3v n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3v n GLY 49 N -0.03 -0.91 0.21 0.55 0.00 -1.26 -1.71 105.19 102.04 2h3v n GLY 49 Ca 0.03 0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.19 2h3v n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h3v h LEU 50 N 0.00 0.00 -0.03 0.99 3.38 -1.84 -3.04 115.31 114.76 2h3v h LEU 50 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2h3v h LEU 50 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 2h3v h LEU 50 CO 0.00 0.18 -0.07 -0.07 0.09 0.00 0.00 178.44 178.57 2h3v h LEU 51 N 0.00 0.00 -3.15 1.67 3.38 -1.58 -3.05 115.31 112.57 2h3v h LEU 51 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2h3v h LEU 51 Cb 0.97 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.65 2h3v h LEU 51 CO 0.02 0.07 0.15 -1.84 0.09 0.00 0.00 178.44 176.93 2h3v n GLU 52 N -3.12 3.43 -3.62 1.13 0.28 -1.15 -4.80 120.64 112.79 2h3v n GLU 52 Ca 0.04 -2.41 -0.16 0.00 -0.16 0.00 0.00 57.16 54.47 2h3v n GLU 52 Cb 0.55 -2.04 -0.14 0.00 1.43 0.00 0.00 31.44 31.24 2h3v n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2h3v s THR 53 N -2.42 -0.35 0.65 3.84 -1.32 -1.19 -4.95 115.64 109.89 2h3v s THR 53 Ca 0.43 0.21 0.39 0.00 -1.21 0.00 0.00 61.69 61.51 2h3v s THR 53 Cb 0.34 -0.45 0.41 0.00 -1.51 0.00 0.00 72.50 71.28 2h3v s THR 53 CO 0.11 0.05 2.29 -1.28 -2.21 0.00 0.00 174.62 173.58 2h3v h SER 54 N 8.32 0.00 0.06 8.08 0.87 -1.87 -1.12 113.55 127.89 2h3v h SER 54 Ca -0.14 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.15 2h3v h SER 54 Cb 1.12 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2h3v h SER 54 CO 0.17 0.00 -1.40 -0.08 -0.53 0.00 0.00 176.83 174.99 2h3v h GLU 55 N 0.00 0.14 0.00 2.24 4.57 -1.95 -3.29 114.58 116.29 2h3v h GLU 55 Ca 0.01 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2h3v h GLU 55 Cb 0.10 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2h3v h GLU 55 CO -0.00 1.11 0.00 0.41 -1.18 0.00 0.00 179.01 179.35 2h3v n GLY 56 N 1.66 -0.97 0.11 1.92 0.00 -0.88 -2.41 105.19 104.62 2h3v n GLY 56 Ca -0.29 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 2h3v n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h3v h ARG 58 N 0.04 0.00 0.00 0.00 -0.00 -1.54 0.61 114.38 113.48 2h3v h ARG 58 Ca -0.31 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.50 2h3v h ARG 58 Cb 2.01 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.96 2h3v h ARG 58 CO 0.10 0.00 -1.07 1.96 -0.00 0.00 0.00 179.97 180.96 2h3v h GLN 59 N 0.00 0.00 -0.13 0.08 4.20 -1.67 -3.23 115.11 114.36 2h3v h GLN 59 Ca 0.02 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2h3v h GLN 59 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2h3v h GLN 59 CO -0.00 0.48 -0.20 0.82 -0.67 0.00 0.00 178.83 179.25 2h3v h ILE 60 N 0.00 1.37 0.00 2.54 2.04 -1.00 -2.85 117.51 119.60 2h3v h ILE 60 Ca -0.10 -1.44 -0.05 0.00 1.00 0.00 0.00 64.86 64.27 2h3v h ILE 60 Cb 1.58 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.66 2h3v h ILE 60 CO 0.07 0.42 -0.22 -0.07 0.00 0.00 0.00 178.15 178.35 2h3v h LEU 61 N -0.05 0.00 -0.63 1.44 3.38 -1.61 -1.93 115.31 115.91 2h3v h LEU 61 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2h3v h LEU 61 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2h3v h LEU 61 CO 0.05 0.22 -0.61 1.23 0.09 0.00 0.00 178.44 179.41 2h3v h GLY 62 N 0.86 0.28 1.88 0.83 0.00 -1.56 0.62 103.07 105.99 2h3v h GLY 62 Ca -0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 47.33 46.77 2h3v h GLY 62 CO 0.03 0.31 -1.06 1.46 0.00 0.00 0.00 176.54 177.29 2h3v h GLN 63 N 0.19 0.00 0.00 4.80 1.08 -1.22 -3.29 115.11 116.66 2h3v h GLN 63 Ca -0.01 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.05 2h3v h GLN 63 Cb 1.12 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.53 2h3v h GLN 63 CO 0.10 0.92 -0.98 -0.07 -0.95 0.00 0.00 178.83 177.84 2h3v h LEU 64 N 0.00 0.00 0.16 1.46 3.38 -1.32 -3.26 115.31 115.73 2h3v h LEU 64 Ca -0.04 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.94 2h3v h LEU 64 Cb 1.78 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 2h3v h LEU 64 CO 0.12 0.58 -0.43 1.56 0.09 0.00 0.00 178.44 180.36 2h3v h GLN 65 N 0.00 -0.64 0.00 1.13 4.20 -0.94 0.26 115.11 119.12 2h3v h GLN 65 Ca -0.08 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2h3v h GLN 65 Cb 1.52 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.44 2h3v h GLN 65 CO 0.06 -0.43 0.00 -1.00 -0.67 0.00 0.00 178.83 176.79 2h3v h PRO 66 N -0.67 0.00 0.00 1.46 0.13 -1.73 -2.70 132.00 128.49 2h3v h PRO 66 Ca -0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.96 2h3v h PRO 66 Cb 0.65 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 2h3v h PRO 66 CO -0.20 0.00 -0.93 0.77 -0.23 0.00 0.00 178.00 177.41 2h3v h SER 67 N 0.00 0.00 -0.72 1.44 0.02 -1.36 -3.29 113.55 109.64 2h3v h SER 67 Ca 0.00 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.16 2h3v h SER 67 Cb 0.41 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 2h3v h SER 67 CO 0.00 0.67 0.53 -0.07 -1.14 0.00 0.00 176.83 176.82 2h3v h LEU 68 N 0.00 0.00 -0.20 5.07 3.38 -0.18 0.21 115.31 123.59 2h3v h LEU 68 Ca -0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2h3v h LEU 68 Cb 1.57 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 2h3v h LEU 68 CO 0.08 0.00 -0.09 -0.61 0.09 0.00 0.00 178.44 177.91 2h3v h GLN 69 N 0.00 -0.06 -0.64 1.13 5.75 -1.74 -3.10 115.11 116.45 2h3v h GLN 69 Ca 0.34 0.00 -0.47 0.00 -0.15 0.00 0.00 58.65 58.38 2h3v h GLN 69 Cb 1.39 0.01 -0.38 0.00 1.07 0.00 0.00 27.48 29.57 2h3v h GLN 69 CO -0.00 -0.04 -0.81 2.41 -2.65 0.00 0.00 178.83 177.73 2h3v n THR 70 N -5.25 2.39 -2.49 2.39 -1.04 -0.46 -4.85 114.28 104.96 2h3v n THR 70 Ca -0.02 -4.00 -0.23 0.00 -2.04 0.00 0.00 64.05 57.76 2h3v n THR 70 Cb 0.17 -0.86 0.05 0.00 -1.82 0.00 0.00 70.33 67.87 2h3v n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2h3v s GLY 71 N -3.56 1.78 0.12 3.41 0.00 0.60 -5.07 107.32 104.60 2h3v s GLY 71 Ca 0.48 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.99 2h3v s GLY 71 CO 0.02 -0.88 0.06 -1.14 0.00 0.00 0.00 173.10 171.16 2h3v n SER 72 N -2.55 1.69 -0.30 1.64 3.41 -1.26 -4.95 113.62 111.30 2h3v n SER 72 Ca 0.08 -1.44 -0.05 0.00 -0.26 0.00 0.00 58.87 57.20 2h3v n SER 72 Cb 0.60 0.02 0.07 0.00 -0.26 0.00 0.00 64.21 64.64 2h3v n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2h3v h GLU 73 N 0.00 1.15 -0.65 4.33 4.57 -1.99 0.21 114.58 122.19 2h3v h GLU 73 Ca -0.08 -0.15 0.01 0.00 -1.18 0.00 0.00 59.36 57.96 2h3v h GLU 73 Cb 0.28 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.62 2h3v h GLU 73 CO 0.13 0.86 0.42 0.93 -1.18 0.00 0.00 179.01 180.18 2h3v h GLU 74 N 1.14 0.83 -0.25 1.92 5.08 -2.00 -1.87 114.58 119.43 2h3v h GLU 74 Ca 0.28 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.41 2h3v h GLU 74 Cb 0.06 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2h3v h GLU 74 CO -0.04 0.55 -0.57 1.25 -1.00 0.00 0.00 179.01 179.19 2h3v h LEU 75 N 0.86 0.87 0.24 1.33 6.46 -1.87 -3.13 115.31 120.07 2h3v h LEU 75 Ca 0.25 -0.48 0.01 0.00 -0.12 0.00 0.00 57.88 57.53 2h3v h LEU 75 Cb -0.06 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.59 2h3v h LEU 75 CO -0.07 1.26 -0.31 -0.09 -0.62 0.00 0.00 178.44 178.61 2h3v h ARG 76 N 0.59 -0.58 -0.96 1.25 2.43 -0.59 -1.88 114.38 114.64 2h3v h ARG 76 Ca 0.01 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.40 2h3v h ARG 76 Cb 1.17 0.13 -0.09 0.00 -0.42 0.00 0.00 29.97 30.76 2h3v h ARG 76 CO 0.12 -0.39 0.61 0.77 -1.51 0.00 0.00 179.97 179.57 2h3v h SER 77 N -0.61 0.66 0.70 -3.80 0.02 -1.41 -1.94 113.55 107.17 2h3v h SER 77 Ca 0.00 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2h3v h SER 77 Cb 0.58 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.07 2h3v h SER 77 CO -0.10 0.27 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.45 2h3v h LEU 78 N 0.66 -0.79 -2.00 5.07 -0.00 -1.31 -1.64 115.31 115.30 2h3v h LEU 78 Ca 0.52 0.02 0.23 0.00 -0.00 0.00 0.00 57.88 58.65 2h3v h LEU 78 Cb 0.94 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.77 2h3v h LEU 78 CO -0.28 -0.55 0.56 0.22 -0.00 0.00 0.00 178.44 178.39 2h3v h TYR 79 N -0.96 0.00 0.44 1.13 3.20 -0.67 0.25 116.97 120.36 2h3v h TYR 79 Ca -0.10 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.75 2h3v h TYR 79 Cb 0.73 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.00 2h3v h TYR 79 CO -0.02 0.00 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.38 2h3v h ASN 80 N 0.00 -0.50 0.13 -2.11 -0.26 -0.92 -2.69 115.58 109.23 2h3v h ASN 80 Ca 0.37 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.09 2h3v h ASN 80 Cb 1.49 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.88 2h3v h ASN 80 CO -0.00 -0.08 -0.06 0.74 -1.06 0.00 0.00 177.43 176.97 2h3v h THR 81 N -1.13 0.89 -0.83 2.81 2.02 -0.61 -2.20 112.91 113.86 2h3v h THR 81 Ca -0.06 -0.07 0.23 0.00 0.77 0.00 0.00 66.41 67.28 2h3v h THR 81 Cb 0.49 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2h3v h THR 81 CO 0.10 0.02 0.59 0.40 0.37 0.00 0.00 175.52 177.00 2h3v h ILE 82 N -0.21 0.60 0.48 3.11 2.04 -0.65 0.31 117.51 123.20 2h3v h ILE 82 Ca -0.02 -0.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 2h3v h ILE 82 Cb 0.16 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2h3v h ILE 82 CO 0.03 0.01 -0.23 0.00 0.00 0.00 0.00 178.15 177.96 2h3v h ALA 83 N 1.59 -0.65 -0.75 1.87 0.00 -1.04 -1.84 119.26 118.44 2h3v h ALA 83 Ca 0.40 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2h3v h ALA 83 Cb 1.52 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 2h3v h ALA 83 CO -0.02 -0.65 0.50 0.28 0.00 0.00 0.00 179.25 179.35 2h3v h VAL 84 N -1.07 1.11 0.70 0.00 2.07 -1.07 -1.87 116.25 116.11 2h3v h VAL 84 Ca -0.07 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 2h3v h VAL 84 Cb 0.57 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2h3v h VAL 84 CO 0.11 0.17 -0.33 0.25 0.02 0.00 0.00 177.57 177.78 2h3v h LEU 85 N 0.92 -0.79 -0.51 2.57 5.85 -0.99 -2.30 115.31 120.05 2h3v h LEU 85 Ca 0.30 0.00 0.10 0.00 0.84 0.00 0.00 57.88 59.12 2h3v h LEU 85 Cb 0.06 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 2h3v h LEU 85 CO -0.09 -0.49 0.02 0.22 -0.34 0.00 0.00 178.44 177.76 2h3v h TYR 86 N -1.06 0.01 -0.54 1.25 5.03 -1.13 -1.39 116.97 119.14 2h3v h TYR 86 Ca -0.10 0.04 0.10 0.00 2.58 0.00 0.00 58.73 61.35 2h3v h TYR 86 Cb 0.75 0.07 -0.08 0.00 1.55 0.00 0.00 36.73 39.02 2h3v h TYR 86 CO -0.01 -0.09 0.06 0.00 -1.32 0.00 0.00 178.16 176.80 2h3v h VAL 88 N 0.18 0.66 -0.14 0.00 2.07 -0.68 0.27 116.25 118.61 2h3v h VAL 88 Ca 0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.84 2h3v h VAL 88 Cb 0.41 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2h3v h VAL 88 CO -0.40 0.00 0.17 0.45 0.02 0.00 0.00 177.57 177.80 2h3v h HIS 89 N -0.21 0.00 -0.71 1.57 3.86 -0.80 0.32 115.15 119.17 2h3v h HIS 89 Ca 0.06 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 59.01 2h3v h HIS 89 Cb 0.29 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.60 2h3v h HIS 89 CO -0.21 0.00 0.33 1.04 0.86 0.00 0.00 177.93 179.95 2h3v n GLN 90 N -3.76 3.10 -2.07 2.45 1.13 -0.47 -4.87 117.38 112.88 2h3v n GLN 90 Ca 0.01 -2.69 -0.17 0.00 -1.94 0.00 0.00 57.00 52.21 2h3v n GLN 90 Cb 0.28 -2.09 -0.03 0.00 0.11 0.00 0.00 30.24 28.50 2h3v n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2h3v n ARG 91 N -0.30 -1.72 -3.41 -1.09 0.63 0.10 -4.93 116.66 105.94 2h3v n ARG 91 Ca 0.40 0.89 -0.39 0.00 -0.92 0.00 0.00 57.85 57.83 2h3v n ARG 91 Cb 1.34 -5.40 -0.09 0.00 0.45 0.00 0.00 32.46 28.75 2h3v n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2h3v s ILE 92 N -2.69 5.18 -0.42 5.15 1.01 0.83 -5.00 121.20 125.27 2h3v s ILE 92 Ca 0.00 0.41 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 2h3v s ILE 92 Cb 0.00 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.78 2h3v s ILE 92 CO 0.00 0.10 0.43 -1.81 0.00 0.00 0.00 174.94 173.67 2h3v s ASP 93 N 1.68 6.19 0.04 3.58 1.01 -1.26 -3.58 116.67 124.33 2h3v s ASP 93 Ca 0.13 -0.67 0.03 0.00 0.71 0.00 0.00 52.55 52.76 2h3v s ASP 93 Cb -0.16 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 2h3v s ASP 93 CO 0.11 -0.58 0.00 0.68 0.21 0.00 0.00 175.17 175.59 2h3v s VAL 94 N 2.13 4.10 -0.09 -1.27 -7.23 -1.26 -5.02 120.40 111.76 2h3v s VAL 94 Ca 0.12 -0.77 0.13 0.00 -1.81 0.00 0.00 61.98 59.65 2h3v s VAL 94 Cb -0.17 -2.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.88 2h3v s VAL 94 CO 0.14 0.26 1.38 0.50 -0.31 0.00 0.00 175.10 177.06 2h3v h LYS 95 N 3.94 0.00 -3.61 4.82 3.64 -1.96 -3.43 116.57 119.97 2h3v h LYS 95 Ca -0.48 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.75 2h3v h LYS 95 Cb 1.17 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 2h3v h LYS 95 CO 0.59 0.61 0.01 0.16 -2.27 0.00 0.00 179.45 178.54 2h3v s ASP 96 N -6.49 0.44 0.28 4.20 1.47 -1.26 -2.69 116.67 112.63 2h3v s ASP 96 Ca 0.03 -1.28 0.03 0.00 1.18 0.00 0.00 52.55 52.51 2h3v s ASP 96 Cb 0.08 0.73 0.41 0.00 -0.34 0.00 0.00 42.92 43.80 2h3v s ASP 96 CO 0.77 -1.44 1.70 0.74 0.68 0.00 0.00 175.17 177.62 2h3v h THR 97 N 2.08 1.28 0.29 2.11 2.02 -1.42 -2.96 112.91 116.30 2h3v h THR 97 Ca -0.29 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.52 2h3v h THR 97 Cb 1.24 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2h3v h THR 97 CO 0.39 0.42 -0.14 0.50 0.37 0.00 0.00 175.52 177.06 2h3v h LYS 98 N 0.37 -0.37 -0.82 6.66 3.64 -1.89 -2.76 116.57 121.39 2h3v h LYS 98 Ca 0.05 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 59.58 2h3v h LYS 98 Cb 0.73 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 32.55 2h3v h LYS 98 CO 0.06 -0.17 0.43 1.49 -2.27 0.00 0.00 179.45 178.98 2h3v h GLU 99 N -0.50 0.63 0.00 1.90 4.57 -1.96 0.24 114.58 119.45 2h3v h GLU 99 Ca -0.04 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2h3v h GLU 99 Cb 0.37 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2h3v h GLU 99 CO 0.07 0.41 -0.00 0.00 -1.18 0.00 0.00 179.01 178.31 2h3v h ALA 100 N 1.52 1.55 0.04 2.92 0.00 -1.35 -1.67 119.26 122.28 2h3v h ALA 100 Ca 0.43 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 2h3v h ALA 100 Cb 0.56 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2h3v h ALA 100 CO -0.33 0.00 -0.56 1.25 0.00 0.00 0.00 179.25 179.61 2h3v h LEU 101 N 0.00 0.43 -1.17 0.00 7.12 -0.27 -3.12 115.31 118.30 2h3v h LEU 101 Ca -0.00 -0.83 -0.03 0.00 0.13 0.00 0.00 57.88 57.15 2h3v h LEU 101 Cb 0.00 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 39.98 2h3v h LEU 101 CO 0.00 1.21 0.18 -0.78 -0.13 0.00 0.00 178.44 178.92 2h3v h ASP 102 N -0.30 0.70 -0.56 1.25 1.82 -0.90 0.14 116.42 118.57 2h3v h ASP 102 Ca -0.08 -0.09 -0.04 0.00 -0.39 0.00 0.00 57.03 56.42 2h3v h ASP 102 Cb 1.33 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 41.13 2h3v h ASP 102 CO 0.11 0.65 0.20 0.50 -1.61 0.00 0.00 179.24 179.09 2h3v h LYS 103 N 0.75 0.90 0.00 0.28 1.63 -1.40 -1.66 116.57 117.08 2h3v h LYS 103 Ca 0.18 -0.16 -0.19 0.00 -0.85 0.00 0.00 60.65 59.62 2h3v h LYS 103 Cb 0.19 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 2h3v h LYS 103 CO -0.01 0.77 -0.93 0.82 -3.45 0.00 0.00 179.45 176.65 2h3v h ILE 104 N 0.88 1.45 0.00 2.00 2.04 -1.36 -3.10 117.51 119.41 2h3v h ILE 104 Ca 0.20 -3.08 -0.10 0.00 1.00 0.00 0.00 64.86 62.88 2h3v h ILE 104 Cb 0.24 2.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 2h3v h ILE 104 CO -0.01 0.83 -0.50 -0.33 0.00 0.00 0.00 178.15 178.14 2h3v h GLU 105 N 0.00 0.00 0.00 2.37 4.39 -0.59 -2.58 114.58 118.17 2h3v h GLU 105 Ca -0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2h3v h GLU 105 Cb 1.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.34 2h3v h GLU 105 CO 0.11 0.50 -0.10 1.49 -1.16 0.00 0.00 179.01 179.84 2h3v h GLU 106 N 0.00 0.07 0.00 2.33 4.22 -1.35 -0.83 114.58 119.02 2h3v h GLU 106 Ca -0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.36 2h3v h GLU 106 Cb 0.91 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2h3v h GLU 106 CO 0.06 0.85 -0.00 0.93 -2.18 0.00 0.00 179.01 178.68 2h3v h GLU 107 N -0.69 0.00 -0.21 1.92 4.39 -1.55 -1.39 114.58 117.05 2h3v h GLU 107 Ca -0.01 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 2h3v h GLU 107 Cb 0.89 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 2h3v h GLU 107 CO 0.02 0.00 -0.13 1.04 -1.16 0.00 0.00 179.01 178.78 2h3v n GLN 108 N -4.13 1.91 0.15 2.33 1.13 -0.97 -4.65 117.38 113.15 2h3v n GLN 108 Ca -0.03 -3.06 0.00 0.00 -1.94 0.00 0.00 57.00 51.98 2h3v n GLN 108 Cb 0.09 -1.74 0.26 0.00 0.11 0.00 0.00 30.24 28.96 2h3v n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2h3v h ASN 109 N 1.00 0.05 0.06 1.08 -0.73 0.03 -2.52 115.58 114.56 2h3v h ASN 109 Ca 0.10 -0.02 -0.28 0.00 1.87 0.00 0.00 56.30 57.97 2h3v h ASN 109 Cb 1.39 -0.01 0.03 0.00 0.27 0.00 0.00 38.32 40.00 2h3v h ASN 109 CO 0.22 0.52 -1.13 0.50 -0.37 0.00 0.00 177.43 177.18 2h3v h LYS 110 N 0.04 0.66 -0.62 6.67 3.64 -1.82 -2.93 116.57 122.20 2h3v h LYS 110 Ca -0.00 -0.79 -0.05 0.00 -1.27 0.00 0.00 60.65 58.54 2h3v h LYS 110 Cb 0.86 0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2h3v h LYS 110 CO 0.06 1.35 0.20 0.77 -2.27 0.00 0.00 179.45 179.57 2h3v h SER 111 N 0.31 0.86 -0.46 4.20 0.02 -1.86 -1.05 113.55 115.57 2h3v h SER 111 Ca -0.16 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.54 2h3v h SER 111 Cb 1.79 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 2h3v h SER 111 CO 0.22 0.80 -0.14 0.50 -1.14 0.00 0.00 176.83 177.07 2h3v h LYS 112 N 0.90 0.90 0.00 3.45 3.11 -1.51 -2.83 116.57 120.60 2h3v h LYS 112 Ca 0.20 -0.36 -0.08 0.00 -2.81 0.00 0.00 60.65 57.61 2h3v h LYS 112 Cb 0.25 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.42 2h3v h LYS 112 CO -0.01 1.01 -0.37 -0.22 -2.81 0.00 0.00 179.45 177.05 2h3v h LYS 113 N 0.74 0.00 -1.02 1.90 1.63 -1.29 -2.74 116.57 115.79 2h3v h LYS 113 Ca 0.11 0.00 -0.48 0.00 -0.85 0.00 0.00 60.65 59.43 2h3v h LYS 113 Cb 0.69 0.00 -0.27 0.00 -0.60 0.00 0.00 32.23 32.05 2h3v h LYS 113 CO 0.05 0.37 0.61 1.63 -3.45 0.00 0.00 179.45 178.66 2h3v n LYS 114 N -3.76 2.17 -1.79 1.90 4.76 -0.42 -4.19 118.16 116.82 2h3v n LYS 114 Ca -0.01 -2.69 -0.01 0.00 -2.87 0.00 0.00 58.31 52.73 2h3v n LYS 114 Cb 0.45 -2.05 0.04 0.00 -1.84 0.00 0.00 35.03 31.63 2h3v n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h3v n ALA 115 N -0.89 0.19 -0.02 7.82 0.00 -1.05 -4.98 120.51 121.57 2h3v n ALA 115 Ca 0.53 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 53.36 2h3v n ALA 115 Cb 1.38 -0.58 -0.13 0.00 0.00 0.00 0.00 19.45 20.12 2h3v n ALA 115 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2h3v h GLN 116 N 0.36 0.17 -0.54 0.00 4.20 -1.68 -3.34 115.11 114.28 2h3v h GLN 116 Ca -0.20 -0.30 0.16 0.00 0.06 0.00 0.00 58.65 58.37 2h3v h GLN 116 Cb 1.09 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.96 2h3v h GLN 116 CO -0.09 1.14 0.44 1.96 -0.67 0.00 0.00 178.83 181.62 2h3v h GLN 117 N -0.46 0.00 -0.87 1.46 4.20 -1.90 0.07 115.11 117.61 2h3v h GLN 117 Ca -0.31 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.65 2h3v h GLN 117 Cb 1.65 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.39 2h3v h GLN 117 CO -0.01 0.00 0.63 0.00 -0.67 0.00 0.00 178.83 178.78 2h3v h ALA 118 N 1.62 2.81 -3.90 3.87 0.00 -1.98 -3.42 119.26 118.27 2h3v h ALA 118 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2h3v h ALA 118 Cb 1.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2h3v h ALA 118 CO -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 179.25 178.18 2h3v n ALA 119 N -2.71 0.00 -1.60 0.00 0.00 0.01 -4.62 120.51 111.59 2h3v n ALA 119 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.45 2h3v n ALA 119 Cb 0.93 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.32 2h3v n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3v n ALA 120 N -3.00 -0.29 -1.47 0.00 0.00 -1.26 -4.85 120.51 109.63 2h3v n ALA 120 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.73 2h3v n ALA 120 Cb 0.00 -1.77 0.20 0.00 0.00 0.00 0.00 19.45 17.88 2h3v n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h3v n ASP 121 N -0.79 2.11 -4.27 0.00 2.03 -1.26 -5.01 116.55 109.37 2h3v n ASP 121 Ca -0.17 -3.74 -0.29 0.00 0.52 0.00 0.00 54.79 51.10 2h3v n ASP 121 Cb 0.57 -0.55 -0.16 0.00 -0.72 0.00 0.00 41.12 40.25 2h3v n ASP 121 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2h3v s THR 122 N -3.19 1.88 -0.56 5.18 -4.23 -1.26 -5.03 115.64 108.43 2h3v s THR 122 Ca 0.40 -1.02 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 2h3v s THR 122 Cb 0.37 -1.56 0.56 0.00 1.34 0.00 0.00 72.50 73.21 2h3v s THR 122 CO -0.03 0.53 1.98 0.61 -0.54 0.00 0.00 174.62 177.17 2h3v n GLY 123 N 2.52 5.19 3.64 3.99 0.00 -1.26 -4.94 105.19 114.34 2h3v n GLY 123 Ca -0.16 -1.70 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 2h3v n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h3v s ASN 124 N -1.57 6.27 -0.36 1.61 2.47 -1.26 -5.03 114.94 117.07 2h3v s ASN 124 Ca 0.61 0.31 -0.29 0.00 0.42 0.00 0.00 52.86 53.91 2h3v s ASN 124 Cb 0.49 -2.18 -0.00 0.00 -1.45 0.00 0.00 41.25 38.11 2h3v s ASN 124 CO 0.05 -0.07 1.58 0.54 -3.72 0.00 0.00 177.10 175.48 2h3v s ASN 125 N 1.27 6.18 0.07 -4.21 2.20 -1.26 -4.99 114.94 114.19 2h3v s ASN 125 Ca 0.14 1.09 0.07 0.00 -0.94 0.00 0.00 52.86 53.23 2h3v s ASN 125 Cb -0.15 -2.53 -0.04 0.00 -2.00 0.00 0.00 41.25 36.53 2h3v s ASN 125 CO 0.08 -1.51 -0.15 -0.44 -2.94 0.00 0.00 177.10 172.14 2h3v s SER 126 N 4.76 4.07 -0.37 3.54 0.01 -1.26 -5.06 113.70 119.39 2h3v s SER 126 Ca 0.69 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 2h3v s SER 126 Cb -0.18 -0.70 0.25 0.00 0.21 0.00 0.00 66.02 65.59 2h3v s SER 126 CO 0.33 0.22 1.12 1.67 0.41 0.00 0.00 173.24 176.98 2h3v n GLN 127 N 1.12 0.23 -4.83 12.44 -0.06 -1.26 -5.16 117.38 119.86 2h3v n GLN 127 Ca -0.15 -0.95 -0.28 0.00 -2.00 0.00 0.00 57.00 53.62 2h3v n GLN 127 Cb 0.52 -0.38 -0.15 0.00 -4.06 0.00 0.00 30.24 26.18 2h3v n GLN 127 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2h3v s VAL 128 N 0.49 1.90 -0.34 1.69 0.11 -1.26 -4.91 120.40 118.08 2h3v s VAL 128 Ca 0.26 -1.25 -0.05 0.00 -2.93 0.00 0.00 61.98 58.01 2h3v s VAL 128 Cb 0.17 -1.62 0.01 0.00 -1.53 0.00 0.00 36.38 33.40 2h3v s VAL 128 CO -0.11 0.32 0.18 -0.24 -3.33 0.00 0.00 175.10 171.92 2h3v n SER 129 N 1.91 -7.99 -4.88 3.54 2.88 -1.26 -4.99 113.62 102.83 2h3v n SER 129 Ca -0.17 1.15 -0.30 0.00 -1.33 0.00 0.00 58.87 58.22 2h3v n SER 129 Cb 0.52 -5.27 0.02 0.00 -0.75 0.00 0.00 64.21 58.73 2h3v n SER 129 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2h3v s GLN 130 N -1.91 3.33 -0.57 -1.46 -0.21 -1.26 -4.98 119.66 112.59 2h3v s GLN 130 Ca 0.08 0.60 -0.28 0.00 0.02 0.00 0.00 55.36 55.77 2h3v s GLN 130 Cb -0.02 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 31.92 2h3v s GLN 130 CO 0.77 -0.70 1.38 -0.80 -2.12 0.00 0.00 175.29 173.82 2h3v s ASN 131 N -4.24 6.16 0.00 5.90 -0.87 -1.26 -5.30 114.94 115.33 2h3v s ASN 131 Ca 0.56 0.22 0.00 0.00 -1.57 0.00 0.00 52.86 52.07 2h3v s ASN 131 Cb -0.11 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.57 2h3v s ASN 131 CO 0.52 -1.70 0.24 0.00 -2.57 0.00 0.00 177.10 173.60