#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 3.50 -0.15 4.61 0.00 -1.26 -4.82 121.76 123.63 2h3v s ALA 3 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 2h3v s ALA 3 Cb 0.00 -3.12 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 2h3v s ALA 3 CO 0.00 -0.55 -0.19 -2.13 0.00 0.00 0.00 175.76 172.90 2h3v n ARG 4 N 4.97 0.33 -4.32 0.00 0.63 -1.26 -4.94 116.66 112.07 2h3v n ARG 4 Ca 0.02 0.13 -0.17 0.00 -0.92 0.00 0.00 57.85 56.92 2h3v n ARG 4 Cb 0.49 -1.10 -0.10 0.00 0.45 0.00 0.00 32.46 32.20 2h3v n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2h3v s ALA 5 N -2.28 1.76 0.47 5.13 0.00 -1.26 -4.66 121.76 120.91 2h3v s ALA 5 Ca -0.21 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 49.74 2h3v s ALA 5 Cb 0.08 0.54 -0.08 0.00 0.00 0.00 0.00 23.12 23.66 2h3v s ALA 5 CO 0.28 -0.27 1.43 0.45 0.00 0.00 0.00 175.76 177.65 2h3v n SER 6 N -0.40 3.25 0.00 0.00 2.88 -1.26 -4.96 113.62 113.13 2h3v n SER 6 Ca -0.05 1.10 -0.04 0.00 -1.33 0.00 0.00 58.87 58.55 2h3v n SER 6 Cb 0.64 -1.60 -0.01 0.00 -0.75 0.00 0.00 64.21 62.48 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 -0.35 1.07 -4.95 2.46 0.31 -1.26 -4.67 118.33 110.94 2h3v n VAL 7 Ca 0.06 0.23 -0.32 0.00 -0.01 0.00 0.00 64.34 64.30 2h3v n VAL 7 Cb 0.42 -1.73 -0.15 0.00 -0.91 0.00 0.00 33.84 31.47 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 -7.02 2.54 0.00 7.52 1.43 -1.26 -4.69 118.68 117.20 2h3v s LEU 8 Ca -0.08 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2h3v s LEU 8 Cb 0.02 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.76 2h3v s LEU 8 CO 0.11 0.24 0.28 -1.54 0.23 0.00 0.00 176.35 175.67 2h3v n SER 9 N 3.02 0.03 -0.01 2.29 3.41 -1.26 -4.63 113.62 116.47 2h3v n SER 9 Ca -0.18 -1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 57.23 2h3v n SER 9 Cb 0.52 -0.21 -0.04 0.00 -0.26 0.00 0.00 64.21 64.23 2h3v n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3v h GLY 10 N -0.36 0.05 0.96 5.00 0.00 -2.00 0.24 103.07 106.96 2h3v h GLY 10 Ca -0.09 0.09 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2h3v h GLY 10 CO 0.06 -0.09 0.03 -1.33 0.00 0.00 0.00 176.54 175.21 2h3v h GLY 11 N -0.06 0.78 1.81 4.60 0.00 -2.01 -2.76 103.07 105.43 2h3v h GLY 11 Ca 0.08 -0.56 -0.06 0.00 0.00 0.00 0.00 47.33 46.79 2h3v h GLY 11 CO -0.17 0.51 -0.17 0.83 0.00 0.00 0.00 176.54 177.54 2h3v h GLU 12 N 0.57 0.23 -0.39 4.80 5.08 -1.85 -2.81 114.58 120.20 2h3v h GLU 12 Ca 0.12 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2h3v h GLU 12 Cb 0.44 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2h3v h GLU 12 CO 0.02 0.41 0.09 1.25 -1.00 0.00 0.00 179.01 179.77 2h3v h LEU 13 N 0.22 0.60 0.56 1.33 5.85 -0.30 0.10 115.31 123.67 2h3v h LEU 13 Ca 0.04 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 2h3v h LEU 13 Cb 0.44 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2h3v h LEU 13 CO 0.03 0.69 -0.39 -0.78 -0.34 0.00 0.00 178.44 177.64 2h3v h ASP 14 N 0.49 -1.01 -0.66 1.25 3.58 -1.24 -0.85 116.42 117.98 2h3v h ASP 14 Ca 0.12 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2h3v h ASP 14 Cb 0.32 0.31 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 2h3v h ASP 14 CO 0.00 -0.59 0.35 0.11 -2.88 0.00 0.00 179.24 176.23 2h3v h LYS 15 N -0.92 0.95 0.47 0.28 1.57 -1.53 -2.61 116.57 114.78 2h3v h LYS 15 Ca -0.06 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 2h3v h LYS 15 Cb 0.77 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2h3v h LYS 15 CO 0.03 0.72 -0.36 2.35 -0.57 0.00 0.00 179.45 181.62 2h3v h TRP 16 N 0.96 -0.97 -0.10 -1.35 2.91 -0.48 0.24 115.95 117.15 2h3v h TRP 16 Ca 0.24 -0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.29 2h3v h TRP 16 Cb 0.06 0.36 -0.00 0.00 -0.51 0.00 0.00 29.16 29.07 2h3v h TRP 16 CO 0.01 -0.53 0.14 0.93 -1.03 0.00 0.00 178.44 177.96 2h3v h GLU 17 N -0.82 0.00 0.05 2.65 5.08 -1.03 -2.06 114.58 118.46 2h3v h GLU 17 Ca -0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 2h3v h GLU 17 Cb 0.70 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.96 2h3v h GLU 17 CO -0.00 0.00 -0.35 -0.22 -1.00 0.00 0.00 179.01 177.44 2h3v h LYS 18 N 0.00 0.14 -6.47 2.33 3.11 -0.90 -3.33 116.57 111.46 2h3v h LYS 18 Ca 0.05 -0.22 -0.61 0.00 -2.81 0.00 0.00 60.65 57.05 2h3v h LYS 18 Cb 0.32 0.08 0.08 0.00 -1.00 0.00 0.00 32.23 31.71 2h3v h LYS 18 CO -0.00 1.08 0.45 -0.89 -2.81 0.00 0.00 179.45 177.28 2h3v n ILE 19 N -4.41 0.92 -3.80 2.00 5.41 0.75 -4.66 119.36 115.57 2h3v n ILE 19 Ca -0.11 -0.23 -0.29 0.00 1.00 0.00 0.00 62.75 63.12 2h3v n ILE 19 Cb 0.61 -1.17 -0.04 0.00 -0.71 0.00 0.00 39.64 38.34 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 -0.39 3.50 0.55 0.38 0.52 0.32 -0.20 118.95 123.63 2h3v s ARG 20 Ca 0.70 -0.38 0.27 0.00 -0.52 0.00 0.00 55.73 55.80 2h3v s ARG 20 Cb -0.75 -2.92 1.60 0.00 0.52 0.00 0.00 34.95 33.40 2h3v s ARG 20 CO 0.51 0.49 2.17 -0.07 0.02 0.00 0.00 175.30 178.42 2h3v h LEU 21 N 2.43 0.00 -7.83 2.53 3.38 -1.66 -2.36 115.31 111.81 2h3v h LEU 21 Ca -0.47 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 2h3v h LEU 21 Cb 1.18 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2h3v h LEU 21 CO 0.71 0.05 -0.39 -0.13 0.09 0.00 0.00 178.44 178.77 2h3v s ARG 22 N -4.54 0.83 0.27 1.13 0.52 -1.26 -3.73 118.95 112.17 2h3v s ARG 22 Ca -0.04 -0.96 0.05 0.00 -0.52 0.00 0.00 55.73 54.25 2h3v s ARG 22 Cb 0.15 0.33 0.36 0.00 0.52 0.00 0.00 34.95 36.31 2h3v s ARG 22 CO 0.58 -0.26 1.64 -1.00 0.02 0.00 0.00 175.30 176.29 2h3v h PRO 23 N 2.79 0.29 -0.40 3.54 0.13 -1.93 -3.08 132.00 133.35 2h3v h PRO 23 Ca -0.34 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2h3v h PRO 23 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2h3v h PRO 23 CO 0.56 0.70 0.00 0.41 -0.23 0.00 0.00 178.00 179.44 2h3v n GLY 24 N -0.04 3.57 3.82 1.56 0.00 -1.26 -4.99 105.19 107.85 2h3v n GLY 24 Ca -0.02 -0.98 -0.26 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 -1.44 2.44 -0.02 -0.02 0.00 -1.16 -5.06 107.32 102.06 2h3v s GLY 25 Ca 0.47 -1.48 0.04 0.00 0.00 0.00 0.00 44.72 43.74 2h3v s GLY 25 CO 0.12 -1.95 0.05 1.17 0.00 0.00 0.00 173.10 172.49 2h3v n LYS 26 N -1.48 1.99 -1.54 2.90 4.81 -1.26 -4.83 118.16 118.75 2h3v n LYS 26 Ca -0.04 -0.02 -0.36 0.00 -0.87 0.00 0.00 58.31 57.03 2h3v n LYS 26 Cb 0.65 -1.10 -0.05 0.00 0.02 0.00 0.00 35.03 34.55 2h3v n LYS 26 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2h3v n LYS 27 N -1.93 0.88 -1.20 1.64 4.81 -1.26 -4.92 118.16 116.18 2h3v n LYS 27 Ca -0.04 -0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.08 2h3v n LYS 27 Cb 0.40 -3.18 0.16 0.00 0.02 0.00 0.00 35.03 32.43 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 8.41 0.74 0.40 1.64 1.11 -1.26 -1.95 119.66 128.75 2h3v s GLN 28 Ca 1.03 0.61 -0.23 0.00 0.01 0.00 0.00 55.36 56.78 2h3v s GLN 28 Cb -0.33 -1.77 -0.11 0.00 -1.01 0.00 0.00 33.01 29.80 2h3v s GLN 28 CO 0.29 -2.54 0.95 0.71 0.01 0.00 0.00 175.29 174.71 2h3v s TYR 29 N -2.97 3.42 0.20 0.91 2.02 0.72 -4.67 117.35 116.98 2h3v s TYR 29 Ca 0.65 1.67 -0.10 0.00 -0.37 0.00 0.00 57.07 58.91 2h3v s TYR 29 Cb -0.18 -2.88 -0.01 0.00 -0.40 0.00 0.00 41.96 38.49 2h3v s TYR 29 CO 0.57 -0.03 0.36 0.21 -1.57 0.00 0.00 175.55 175.09 2h3v s LYS 30 N -2.81 1.32 0.54 -0.62 2.47 -1.26 -4.14 119.74 115.24 2h3v s LYS 30 Ca 0.58 -1.23 0.29 0.00 -1.56 0.00 0.00 55.97 54.05 2h3v s LYS 30 Cb -0.12 0.41 1.45 0.00 -1.46 0.00 0.00 37.83 38.11 2h3v s LYS 30 CO 0.17 -0.51 1.93 1.25 0.16 0.00 0.00 175.35 178.35 2h3v h LEU 31 N 2.42 0.00 -1.17 5.43 5.85 -1.99 0.08 115.31 125.94 2h3v h LEU 31 Ca -0.30 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.61 2h3v h LEU 31 Cb 1.24 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.18 2h3v h LEU 31 CO 0.43 0.00 0.61 0.11 -0.34 0.00 0.00 178.44 179.26 2h3v h LYS 32 N 0.00 0.65 0.02 1.25 1.57 -1.99 0.13 116.57 118.20 2h3v h LYS 32 Ca 0.34 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.85 2h3v h LYS 32 Cb 1.39 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2h3v h LYS 32 CO -0.00 0.43 -0.98 0.45 -0.57 0.00 0.00 179.45 178.78 2h3v h HIS 33 N 0.67 0.56 -0.38 -1.35 3.86 -1.39 -0.01 115.15 117.11 2h3v h HIS 33 Ca 0.54 -0.32 -0.10 0.00 -1.16 0.00 0.00 60.37 59.33 2h3v h HIS 33 Cb 0.96 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.35 2h3v h HIS 33 CO -0.00 1.15 -0.18 0.82 0.86 0.00 0.00 177.93 180.57 2h3v h ILE 34 N 0.19 1.26 0.17 2.45 2.04 -1.05 -2.82 117.51 119.76 2h3v h ILE 34 Ca -0.08 -1.26 -0.32 0.00 1.00 0.00 0.00 64.86 64.20 2h3v h ILE 34 Cb 1.63 1.17 0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2h3v h ILE 34 CO 0.17 0.42 -1.51 0.58 0.00 0.00 0.00 178.15 177.81 2h3v h VAL 35 N 0.64 1.21 -0.65 1.67 2.07 -1.15 -3.19 116.25 116.86 2h3v h VAL 35 Ca 0.10 -2.77 0.11 0.00 0.82 0.00 0.00 66.70 64.96 2h3v h VAL 35 Cb 0.67 2.87 -0.04 0.00 -1.52 0.00 0.00 31.29 33.27 2h3v h VAL 35 CO 0.05 0.84 0.43 -0.25 0.02 0.00 0.00 177.57 178.66 2h3v h TRP 36 N 0.10 0.46 0.04 1.57 7.01 -0.95 -1.49 115.95 122.69 2h3v h TRP 36 Ca -0.25 0.01 -0.24 0.00 2.11 0.00 0.00 58.89 60.53 2h3v h TRP 36 Cb 2.07 -0.15 0.02 0.00 -2.10 0.00 0.00 29.16 29.00 2h3v h TRP 36 CO 0.09 0.21 -0.95 0.00 -2.79 0.00 0.00 178.44 174.99 2h3v h ALA 37 N 1.68 0.06 -0.96 2.65 0.00 -1.59 -3.16 119.26 117.96 2h3v h ALA 37 Ca 0.30 -0.68 0.06 0.00 0.00 0.00 0.00 54.91 54.59 2h3v h ALA 37 Cb 0.62 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2h3v h ALA 37 CO -0.09 0.57 0.62 0.77 0.00 0.00 0.00 179.25 181.12 2h3v h SER 38 N 0.18 0.99 0.59 0.00 0.02 -1.29 0.20 113.55 114.25 2h3v h SER 38 Ca -0.13 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.77 2h3v h SER 38 Cb 1.64 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 2h3v h SER 38 CO 0.19 0.64 -0.26 -0.09 -1.14 0.00 0.00 176.83 176.17 2h3v h ARG 39 N 1.13 0.00 0.00 3.45 2.43 -1.40 -2.71 114.38 117.28 2h3v h ARG 39 Ca 0.40 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 59.39 2h3v h ARG 39 Cb 0.14 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 2h3v h ARG 39 CO -0.15 0.26 -1.24 1.49 -1.51 0.00 0.00 179.97 178.83 2h3v h GLU 40 N 0.00 0.00 -0.10 0.20 4.22 -1.01 -3.35 114.58 114.54 2h3v h GLU 40 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 2h3v h GLU 40 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2h3v h GLU 40 CO 0.03 0.46 -0.03 -0.07 -2.18 0.00 0.00 179.01 177.23 2h3v h LEU 41 N 0.00 0.19 -2.15 1.64 3.38 -0.39 -2.82 115.31 115.16 2h3v h LEU 41 Ca -0.14 -0.38 0.07 0.00 0.09 0.00 0.00 57.88 57.53 2h3v h LEU 41 Cb 1.65 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 2h3v h LEU 41 CO 0.07 0.53 0.27 -0.33 0.09 0.00 0.00 178.44 179.06 2h3v h GLU 42 N -0.15 0.00 0.00 1.13 4.39 -0.80 0.26 114.58 119.42 2h3v h GLU 42 Ca 0.02 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 2h3v h GLU 42 Cb 0.45 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2h3v h GLU 42 CO 0.01 0.00 -0.46 -0.09 -1.16 0.00 0.00 179.01 177.31 2h3v h ARG 43 N 0.00 0.00 -0.87 2.33 1.12 -1.63 -2.96 114.38 112.36 2h3v h ARG 43 Ca 0.12 0.00 -0.26 0.00 -1.11 0.00 0.00 59.98 58.73 2h3v h ARG 43 Cb 0.65 0.00 -0.15 0.00 -0.01 0.00 0.00 29.97 30.46 2h3v h ARG 43 CO -0.00 0.46 0.33 1.19 -3.11 0.00 0.00 179.97 178.84 2h3v n PHE 44 N -3.54 2.17 -1.54 2.20 3.01 0.84 -4.85 117.46 115.75 2h3v n PHE 44 Ca -0.00 -1.20 -0.17 0.00 1.01 0.00 0.00 57.45 57.08 2h3v n PHE 44 Cb 0.57 -0.67 -0.07 0.00 -0.01 0.00 0.00 39.48 39.30 2h3v n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h3v n ALA 45 N -0.32 -0.27 -3.21 4.37 0.00 -1.12 -4.97 120.51 114.98 2h3v n ALA 45 Ca 0.38 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.77 2h3v n ALA 45 Cb 1.28 -1.80 -0.16 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.65 2.49 0.42 0.00 1.01 -0.67 -5.00 120.40 115.99 2h3v s VAL 46 Ca 0.00 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 2h3v s VAL 46 Cb 0.00 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.30 2h3v s VAL 46 CO 0.00 0.54 1.23 0.20 0.00 0.00 0.00 175.10 177.07 2h3v s ASN 47 N 0.42 6.33 0.00 3.32 0.01 -1.26 -1.00 114.94 122.75 2h3v s ASN 47 Ca -0.14 2.49 0.14 0.00 -0.71 0.00 0.00 52.86 54.64 2h3v s ASN 47 Cb -0.17 -2.62 0.66 0.00 0.41 0.00 0.00 41.25 39.53 2h3v s ASN 47 CO 0.06 -0.82 1.44 -0.81 -1.51 0.00 0.00 177.10 175.46 2h3v n PRO 48 N -0.02 0.08 -0.10 -0.60 -0.04 -1.26 -2.66 135.00 130.40 2h3v n PRO 48 Ca 0.05 0.22 0.02 0.00 -0.04 0.00 0.00 63.50 63.74 2h3v n PRO 48 Cb 0.45 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.14 1.90 0.55 0.00 -1.26 -3.67 105.19 102.82 2h3v n GLY 49 Ca 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 46.02 45.84 2h3v n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h3v n LEU 50 N -0.02 5.89 -0.01 0.99 4.77 -1.09 -4.22 117.00 123.32 2h3v n LEU 50 Ca 0.05 -3.28 -0.01 0.00 -0.03 0.00 0.00 56.01 52.74 2h3v n LEU 50 Cb 0.19 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.53 2h3v n LEU 50 CO 0.04 0.85 -0.58 0.18 -1.33 0.00 0.00 177.39 176.56 2h3v n LEU 51 N -0.32 0.00 0.00 2.23 4.77 -1.24 -1.52 117.00 120.92 2h3v n LEU 51 Ca 0.41 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 2h3v n LEU 51 Cb 1.36 0.05 0.57 0.00 -2.33 0.00 0.00 43.42 43.07 2h3v n LEU 51 CO 0.42 0.05 0.88 -1.84 -1.33 0.00 0.00 177.39 175.57 2h3v n GLU 52 N -2.02 0.27 -4.92 3.23 0.28 -1.26 -4.68 120.64 111.54 2h3v n GLU 52 Ca -0.04 0.07 -0.33 0.00 -0.16 0.00 0.00 57.16 56.71 2h3v n GLU 52 Cb 0.51 -1.50 -0.15 0.00 1.43 0.00 0.00 31.44 31.73 2h3v n GLU 52 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2h3v s THR 53 N -2.65 2.78 0.58 3.84 -4.23 -1.26 -4.95 115.64 109.75 2h3v s THR 53 Ca 0.20 -0.77 0.28 0.00 -1.18 0.00 0.00 61.69 60.22 2h3v s THR 53 Cb 0.16 -2.13 0.36 0.00 1.34 0.00 0.00 72.50 72.23 2h3v s THR 53 CO 0.37 0.54 2.05 -1.28 -0.54 0.00 0.00 174.62 175.76 2h3v h SER 54 N 6.51 0.00 0.06 3.99 0.87 -1.92 -0.70 113.55 122.36 2h3v h SER 54 Ca -0.27 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.07 2h3v h SER 54 Cb 1.21 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.19 2h3v h SER 54 CO 0.53 0.00 -0.91 -0.33 -0.53 0.00 0.00 176.83 175.58 2h3v h GLU 55 N 0.00 0.52 0.29 2.24 5.08 -1.94 -3.14 114.58 117.63 2h3v h GLU 55 Ca 0.12 -0.63 -0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2h3v h GLU 55 Cb 0.66 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2h3v h GLU 55 CO -0.00 1.25 -0.24 0.78 -1.00 0.00 0.00 179.01 179.80 2h3v h GLY 56 N 0.07 -0.57 0.29 -3.84 0.00 -1.28 -1.05 103.07 96.69 2h3v h GLY 56 Ca -0.13 0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.53 2h3v h GLY 56 CO 0.18 -0.23 -0.18 0.00 0.00 0.00 0.00 176.54 176.30 2h3v h ARG 58 N -0.19 0.00 0.24 0.00 1.12 -1.47 0.54 114.38 114.61 2h3v h ARG 58 Ca 0.13 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.66 2h3v h ARG 58 Cb 0.38 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 30.37 2h3v h ARG 58 CO -0.33 0.00 -1.53 1.96 -3.11 0.00 0.00 179.97 176.96 2h3v h GLN 59 N 0.00 0.51 -0.34 0.20 7.50 0.51 -3.10 115.11 120.38 2h3v h GLN 59 Ca 0.04 -0.86 -0.12 0.00 0.50 0.00 0.00 58.65 58.20 2h3v h GLN 59 Cb 0.19 0.32 -0.01 0.00 0.05 0.00 0.00 27.48 28.03 2h3v h GLN 59 CO -0.00 1.41 -0.27 0.82 -1.50 0.00 0.00 178.83 179.29 2h3v h ILE 60 N 0.12 1.29 -0.47 2.54 2.04 0.34 -3.18 117.51 120.19 2h3v h ILE 60 Ca -0.28 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.16 2h3v h ILE 60 Cb 2.14 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 39.65 2h3v h ILE 60 CO 0.25 0.47 0.30 -0.07 0.00 0.00 0.00 178.15 179.10 2h3v h LEU 61 N 0.56 0.54 -2.12 1.44 3.38 -1.06 -1.76 115.31 116.30 2h3v h LEU 61 Ca 0.06 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2h3v h LEU 61 Cb 0.84 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2h3v h LEU 61 CO 0.07 0.40 0.31 1.23 0.09 0.00 0.00 178.44 180.54 2h3v h GLY 62 N 0.63 0.00 1.99 0.83 0.00 -1.52 0.27 103.07 105.27 2h3v h GLY 62 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 2h3v h GLY 62 CO -0.04 0.00 -0.63 -1.61 0.00 0.00 0.00 176.54 174.26 2h3v h GLN 63 N 0.00 0.00 -0.38 4.80 4.15 -1.34 -3.25 115.11 119.09 2h3v h GLN 63 Ca 0.12 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 2h3v h GLN 63 Cb 0.74 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.35 2h3v h GLN 63 CO -0.00 0.62 0.02 1.28 -1.93 0.00 0.00 178.83 178.82 2h3v n LEU 64 N -3.25 4.31 0.20 -2.39 4.77 0.83 -4.68 117.00 116.79 2h3v n LEU 64 Ca 0.01 -3.44 -0.09 0.00 -0.03 0.00 0.00 56.01 52.46 2h3v n LEU 64 Cb 0.79 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2h3v n LEU 64 CO 0.42 0.99 0.27 1.56 -1.33 0.00 0.00 177.39 179.30 2h3v h GLN 65 N 1.38 -0.54 0.00 3.23 4.20 -1.22 -3.24 115.11 118.92 2h3v h GLN 65 Ca 0.17 0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 2h3v h GLN 65 Cb 1.70 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.59 2h3v h GLN 65 CO 0.39 -0.36 -0.38 -1.00 -0.67 0.00 0.00 178.83 176.81 2h3v h PRO 66 N -0.97 0.00 -0.96 1.46 0.13 -1.84 -2.90 132.00 126.91 2h3v h PRO 66 Ca -0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 2h3v h PRO 66 Cb 0.43 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.51 2h3v h PRO 66 CO 0.09 0.38 0.10 0.43 -0.23 0.00 0.00 178.00 178.78 2h3v n SER 67 N -3.77 2.82 0.13 1.44 7.64 -1.25 -3.94 113.62 116.70 2h3v n SER 67 Ca -0.01 -2.33 0.01 0.00 1.01 0.00 0.00 58.87 57.55 2h3v n SER 67 Cb 0.46 -0.57 0.03 0.00 -1.01 0.00 0.00 64.21 63.12 2h3v n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2h3v h LEU 68 N 0.99 0.00 0.00 -3.43 3.38 -1.53 -1.96 115.31 112.76 2h3v h LEU 68 Ca 0.10 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.69 2h3v h LEU 68 Cb 1.25 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 2h3v h LEU 68 CO 0.22 0.57 -2.42 1.67 0.09 0.00 0.00 178.44 178.56 2h3v n GLN 69 N -3.27 0.65 -1.13 1.13 7.27 -1.25 -4.43 117.38 116.34 2h3v n GLN 69 Ca 0.01 0.13 -0.15 0.00 0.07 0.00 0.00 57.00 57.06 2h3v n GLN 69 Cb 0.75 -1.50 0.24 0.00 2.41 0.00 0.00 30.24 32.13 2h3v n GLN 69 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2h3v n THR 70 N -3.19 3.08 -3.94 1.69 -2.24 -1.26 -4.95 114.28 103.48 2h3v n THR 70 Ca -0.43 -1.81 -0.36 0.00 -2.27 0.00 0.00 64.05 59.18 2h3v n THR 70 Cb 0.99 -0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 68.73 2h3v n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2h3v s GLY 71 N -1.20 2.06 1.03 3.38 0.00 -0.74 -4.96 107.32 106.89 2h3v s GLY 71 Ca 0.56 -0.69 -0.17 0.00 0.00 0.00 0.00 44.72 44.42 2h3v s GLY 71 CO 0.12 -0.26 0.60 -1.14 0.00 0.00 0.00 173.10 172.42 2h3v n SER 72 N 2.48 -3.53 -0.31 1.64 3.41 -1.26 -4.48 113.62 111.57 2h3v n SER 72 Ca -0.19 -0.61 -0.04 0.00 -0.26 0.00 0.00 58.87 57.77 2h3v n SER 72 Cb 0.54 -0.70 0.08 0.00 -0.26 0.00 0.00 64.21 63.87 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 1.17 0.07 4.33 4.81 -1.99 -1.84 114.58 121.14 2h3v h GLU 73 Ca -0.27 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2h3v h GLU 73 Cb 0.92 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2h3v h GLU 73 CO 0.16 0.86 -0.04 0.93 -0.73 0.00 0.00 179.01 180.20 2h3v h GLU 74 N 1.17 -0.10 0.39 1.92 3.07 -1.99 -0.66 114.58 118.40 2h3v h GLU 74 Ca 0.30 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 2h3v h GLU 74 Cb 0.02 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2h3v h GLU 74 CO -0.05 -0.04 -0.32 1.25 -1.40 0.00 0.00 179.01 178.45 2h3v h LEU 75 N -0.13 -0.85 -0.44 1.33 6.46 -1.83 0.62 115.31 120.48 2h3v h LEU 75 Ca -0.01 0.07 0.09 0.00 -0.12 0.00 0.00 57.88 57.90 2h3v h LEU 75 Cb 0.10 0.28 -0.08 0.00 -0.73 0.00 0.00 40.66 40.23 2h3v h LEU 75 CO 0.02 -0.47 -0.06 -0.09 -0.62 0.00 0.00 178.44 177.21 2h3v h ARG 76 N -0.72 0.05 -0.91 1.25 2.43 -1.30 -0.55 114.38 114.63 2h3v h ARG 76 Ca -0.03 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2h3v h ARG 76 Cb 0.63 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 2h3v h ARG 76 CO -0.02 0.03 0.60 0.77 -1.51 0.00 0.00 179.97 179.85 2h3v h SER 77 N 0.05 1.04 0.72 -3.80 0.02 -0.87 -2.55 113.55 108.16 2h3v h SER 77 Ca 0.21 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2h3v h SER 77 Cb 0.32 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.61 2h3v h SER 77 CO -0.41 0.75 -0.34 -0.07 -1.14 0.00 0.00 176.83 175.61 2h3v h LEU 78 N 1.22 -0.82 -1.99 5.07 -0.00 0.64 -1.46 115.31 117.98 2h3v h LEU 78 Ca 0.34 0.03 0.23 0.00 -0.00 0.00 0.00 57.88 58.48 2h3v h LEU 78 Cb -0.12 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.72 2h3v h LEU 78 CO -0.08 -0.58 0.57 0.22 -0.00 0.00 0.00 178.44 178.57 2h3v h TYR 79 N -0.96 0.01 0.38 1.13 3.20 -1.09 0.23 116.97 119.87 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 0.74 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.01 2h3v h TYR 79 CO -0.02 0.00 -0.18 -0.91 -1.64 0.00 0.00 178.16 175.41 2h3v h ASN 80 N 0.01 -0.44 -0.16 -2.11 2.35 -1.00 -2.73 115.58 111.51 2h3v h ASN 80 Ca 0.38 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2h3v h ASN 80 Cb 1.51 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.98 2h3v h ASN 80 CO -0.01 0.01 0.10 0.74 -1.65 0.00 0.00 177.43 176.62 2h3v h THR 81 N -1.06 1.05 -0.21 2.81 2.02 -0.53 -1.71 112.91 115.29 2h3v h THR 81 Ca -0.05 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.07 2h3v h THR 81 Cb 0.49 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 2h3v h THR 81 CO 0.09 0.05 0.25 0.40 0.37 0.00 0.00 175.52 176.67 2h3v h ILE 82 N 0.20 0.41 0.17 3.11 2.04 -0.69 -1.26 117.51 121.50 2h3v h ILE 82 Ca 0.06 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2h3v h ILE 82 Cb -0.01 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2h3v h ILE 82 CO -0.01 0.00 -0.08 0.00 0.00 0.00 0.00 178.15 178.06 2h3v h ALA 83 N 1.70 -0.26 -0.95 1.87 0.00 -0.99 -1.41 119.26 119.21 2h3v h ALA 83 Ca 0.10 -0.05 0.20 0.00 0.00 0.00 0.00 54.91 55.16 2h3v h ALA 83 Cb 0.59 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2h3v h ALA 83 CO -0.00 -0.24 0.61 0.28 0.00 0.00 0.00 179.25 179.90 2h3v h VAL 84 N -0.88 0.69 -0.01 0.00 2.07 -1.14 0.16 116.25 117.14 2h3v h VAL 84 Ca -0.02 -0.19 -0.21 0.00 0.82 0.00 0.00 66.70 67.10 2h3v h VAL 84 Cb 0.17 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2h3v h VAL 84 CO 0.04 0.10 -0.87 0.25 0.02 0.00 0.00 177.57 177.11 2h3v h LEU 85 N 0.56 0.40 -0.02 2.57 5.85 -1.34 -3.21 115.31 120.12 2h3v h LEU 85 Ca 0.52 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2h3v h LEU 85 Cb 1.06 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 2h3v h LEU 85 CO -0.26 1.10 -0.01 0.22 -0.34 0.00 0.00 178.44 179.15 2h3v h TYR 86 N 0.19 0.05 -0.82 1.25 3.20 0.36 -2.95 116.97 118.24 2h3v h TYR 86 Ca -0.06 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.02 2h3v h TYR 86 Cb 1.49 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.71 2h3v h TYR 86 CO 0.04 0.43 0.58 0.00 -1.64 0.00 0.00 178.16 177.57 2h3v h VAL 88 N 0.12 1.31 -0.35 0.00 2.07 -1.52 -1.20 116.25 116.67 2h3v h VAL 88 Ca 0.40 -1.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 2h3v h VAL 88 Cb 1.41 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 2h3v h VAL 88 CO -0.05 0.31 -0.08 0.45 0.02 0.00 0.00 177.57 178.22 2h3v h HIS 89 N -0.05 0.62 0.00 1.57 -0.00 -0.97 -3.34 115.15 112.98 2h3v h HIS 89 Ca 0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2h3v h HIS 89 Cb 0.51 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2h3v h HIS 89 CO 0.06 0.65 0.00 0.94 -0.00 0.00 0.00 177.93 179.58 2h3v n GLN 90 N -4.21 0.00 0.00 2.45 -0.06 -0.62 -4.93 117.38 110.01 2h3v n GLN 90 Ca 0.01 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 2h3v n GLN 90 Cb 0.31 -0.96 0.00 0.00 -4.06 0.00 0.00 30.24 25.53 2h3v n GLN 90 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2h3v n ARG 91 N -1.61 0.00 -1.65 3.69 0.63 -0.55 -5.10 116.66 112.07 2h3v n ARG 91 Ca 0.00 0.00 -0.50 0.00 -0.92 0.00 0.00 57.85 56.43 2h3v n ARG 91 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 2h3v n ARG 91 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2h3v n ILE 92 N -0.28 0.14 -2.59 5.15 5.41 -0.66 -4.87 119.36 121.65 2h3v n ILE 92 Ca 0.00 -0.02 -0.31 0.00 1.00 0.00 0.00 62.75 63.42 2h3v n ILE 92 Cb 0.00 -1.29 -0.01 0.00 -0.71 0.00 0.00 39.64 37.64 2h3v n ILE 92 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2h3v n ASP 93 N 3.88 5.37 -4.42 4.38 5.68 -1.26 -3.51 116.55 126.67 2h3v n ASP 93 Ca 0.20 -3.72 -0.33 0.00 -0.50 0.00 0.00 54.79 50.44 2h3v n ASP 93 Cb 0.23 -0.67 0.13 0.00 -1.14 0.00 0.00 41.12 39.67 2h3v n ASP 93 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2h3v n VAL 94 N -0.35 0.00 -0.05 2.12 0.24 -1.26 -4.95 118.33 114.08 2h3v n VAL 94 Ca 0.39 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.34 62.47 2h3v n VAL 94 Cb 0.45 -0.65 -0.15 0.00 -1.47 0.00 0.00 33.84 32.02 2h3v n VAL 94 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2h3v n LYS 95 N -2.00 0.67 -4.46 7.34 5.02 -1.26 -4.80 118.16 118.67 2h3v n LYS 95 Ca 0.06 -0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.09 2h3v n LYS 95 Cb 0.55 -1.57 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 2h3v n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2h3v s ASP 96 N -5.28 2.61 0.22 4.39 1.47 -1.26 -0.52 116.67 118.31 2h3v s ASP 96 Ca -0.08 -1.76 0.11 0.00 1.18 0.00 0.00 52.55 52.00 2h3v s ASP 96 Cb 0.09 0.61 0.07 0.00 -0.34 0.00 0.00 42.92 43.36 2h3v s ASP 96 CO 0.85 -1.03 1.44 0.74 0.68 0.00 0.00 175.17 177.85 2h3v h THR 97 N 1.82 1.32 0.40 2.11 2.02 -1.50 -3.24 112.91 115.83 2h3v h THR 97 Ca -0.31 -2.63 -0.02 0.00 0.77 0.00 0.00 66.41 64.23 2h3v h THR 97 Cb 1.26 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 70.18 2h3v h THR 97 CO 0.48 0.70 -0.19 0.11 0.37 0.00 0.00 175.52 176.99 2h3v h LYS 98 N 0.00 -0.52 -0.96 6.66 1.79 -1.88 -1.67 116.57 119.99 2h3v h LYS 98 Ca -0.01 0.04 0.16 0.00 -2.18 0.00 0.00 60.65 58.66 2h3v h LYS 98 Cb 1.44 0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 32.11 2h3v h LYS 98 CO 0.09 -0.24 0.56 0.93 -1.08 0.00 0.00 179.45 179.72 2h3v h GLU 99 N -0.77 0.74 -0.00 3.15 5.08 -1.99 0.22 114.58 121.01 2h3v h GLU 99 Ca -0.06 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 2h3v h GLU 99 Cb 0.53 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2h3v h GLU 99 CO 0.09 0.49 -0.40 0.00 -1.00 0.00 0.00 179.01 178.19 2h3v h ALA 100 N 1.60 1.34 0.00 3.43 0.00 -1.56 -1.23 119.26 122.84 2h3v h ALA 100 Ca 0.53 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2h3v h ALA 100 Cb 0.75 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2h3v h ALA 100 CO -0.36 0.50 -0.03 1.25 0.00 0.00 0.00 179.25 180.62 2h3v h LEU 101 N 0.00 0.00 0.11 0.00 7.12 0.40 -1.82 115.31 121.11 2h3v h LEU 101 Ca -0.00 0.00 -0.35 0.00 0.13 0.00 0.00 57.88 57.66 2h3v h LEU 101 Cb 0.71 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.82 2h3v h LEU 101 CO 0.05 0.03 -1.92 -0.67 -0.13 0.00 0.00 178.44 175.80 2h3v n ASP 102 N -3.11 2.09 0.19 1.25 2.03 -0.70 -4.14 116.55 114.15 2h3v n ASP 102 Ca 0.02 0.23 0.05 0.00 0.52 0.00 0.00 54.79 55.61 2h3v n ASP 102 Cb 0.42 -0.87 0.34 0.00 -0.72 0.00 0.00 41.12 40.29 2h3v n ASP 102 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2h3v h LYS 103 N -0.07 0.00 0.00 -0.67 1.79 -1.27 -2.89 116.57 113.45 2h3v h LYS 103 Ca -0.42 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.02 2h3v h LYS 103 Cb 1.94 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.58 2h3v h LYS 103 CO 0.04 0.38 -0.14 0.97 -1.08 0.00 0.00 179.45 179.62 2h3v h ILE 104 N 0.00 0.92 0.06 1.86 6.09 -1.48 -0.16 117.51 124.80 2h3v h ILE 104 Ca -0.00 -0.51 -0.25 0.00 -1.37 0.00 0.00 64.86 62.73 2h3v h ILE 104 Cb 0.88 1.29 -0.01 0.00 0.47 0.00 0.00 36.82 39.45 2h3v h ILE 104 CO 0.05 0.14 -1.15 -0.33 -3.07 0.00 0.00 178.15 173.78 2h3v h GLU 105 N 0.00 0.13 -0.02 2.19 4.39 -1.67 -2.81 114.58 116.79 2h3v h GLU 105 Ca -0.00 -0.23 -0.21 0.00 0.34 0.00 0.00 59.36 59.26 2h3v h GLU 105 Cb 0.28 0.09 0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2h3v h GLU 105 CO 0.02 1.09 -0.82 0.93 -1.16 0.00 0.00 179.01 179.07 2h3v h GLU 106 N 0.04 0.59 -0.42 2.33 4.39 -1.40 -3.07 114.58 117.03 2h3v h GLU 106 Ca -0.08 -0.61 -0.10 0.00 0.34 0.00 0.00 59.36 58.91 2h3v h GLU 106 Cb 1.88 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.68 2h3v h GLU 106 CO 0.16 1.22 -0.14 1.49 -1.16 0.00 0.00 179.01 180.58 2h3v h GLU 107 N 0.20 0.77 -0.82 2.33 4.22 -1.15 -2.94 114.58 117.19 2h3v h GLU 107 Ca -0.10 -0.27 -0.01 0.00 0.08 0.00 0.00 59.36 59.06 2h3v h GLU 107 Cb 1.49 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.65 2h3v h GLU 107 CO 0.16 0.87 0.46 0.37 -2.18 0.00 0.00 179.01 178.70 2h3v h GLN 108 N 0.69 1.14 0.00 1.92 4.15 -1.55 -1.69 115.11 119.77 2h3v h GLN 108 Ca 0.11 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 2h3v h GLN 108 Cb 0.63 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.09 2h3v h GLN 108 CO 0.04 0.83 -0.11 -0.97 -1.93 0.00 0.00 178.83 176.68 2h3v h ASN 109 N 1.14 0.00 1.09 -0.69 -1.24 -1.41 -1.61 115.58 112.86 2h3v h ASN 109 Ca 0.29 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.14 2h3v h ASN 109 Cb 0.01 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2h3v h ASN 109 CO -0.05 0.11 -0.75 0.11 -1.29 0.00 0.00 177.43 175.56 2h3v h LYS 110 N 0.00 0.00 -0.80 6.67 1.79 -1.23 -3.25 116.57 119.76 2h3v h LYS 110 Ca -0.00 0.00 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 2h3v h LYS 110 Cb 0.23 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 30.61 2h3v h LYS 110 CO 0.01 0.75 0.30 0.45 -1.08 0.00 0.00 179.45 179.89 2h3v n SER 111 N -3.38 4.97 0.04 0.86 2.88 -0.65 -4.52 113.62 113.82 2h3v n SER 111 Ca 0.00 -3.74 -0.10 0.00 -1.33 0.00 0.00 58.87 53.70 2h3v n SER 111 Cb 0.80 -0.76 -0.13 0.00 -0.75 0.00 0.00 64.21 63.38 2h3v n SER 111 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2h3v h LYS 112 N 1.53 0.07 0.01 -1.46 3.64 -1.48 -3.15 116.57 115.73 2h3v h LYS 112 Ca 0.48 -0.13 -0.26 0.00 -1.27 0.00 0.00 60.65 59.48 2h3v h LYS 112 Cb 1.65 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.48 2h3v h LYS 112 CO 1.04 0.89 -1.39 -0.22 -2.27 0.00 0.00 179.45 177.50 2h3v h LYS 113 N 0.02 0.01 -0.93 1.90 3.64 -1.85 -3.31 116.57 116.06 2h3v h LYS 113 Ca -0.15 -0.02 -0.37 0.00 -1.27 0.00 0.00 60.65 58.83 2h3v h LYS 113 Cb 1.91 0.01 -0.22 0.00 -0.41 0.00 0.00 32.23 33.52 2h3v h LYS 113 CO 0.13 0.75 0.47 1.63 -2.27 0.00 0.00 179.45 180.16 2h3v n LYS 114 N -3.20 2.57 0.06 1.90 5.02 -1.25 -4.30 118.16 118.96 2h3v n LYS 114 Ca -0.09 -2.70 -0.05 0.00 -2.02 0.00 0.00 58.31 53.45 2h3v n LYS 114 Cb 1.00 -2.07 -0.09 0.00 -0.02 0.00 0.00 35.03 33.84 2h3v n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h3v h ALA 115 N 1.63 0.51 0.00 7.82 0.00 -1.64 -3.30 119.26 124.29 2h3v h ALA 115 Ca 0.46 -0.92 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 2h3v h ALA 115 Cb 2.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 20.28 2h3v h ALA 115 CO 0.88 1.16 -0.82 1.96 0.00 0.00 0.00 179.25 182.43 2h3v h GLN 116 N 0.00 0.00 -0.53 0.00 4.20 -1.85 -3.22 115.11 113.70 2h3v h GLN 116 Ca -0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 2h3v h GLN 116 Cb 1.72 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.48 2h3v h GLN 116 CO 0.10 0.82 0.21 1.96 -0.67 0.00 0.00 178.83 181.26 2h3v h GLN 117 N 0.00 0.77 -0.07 1.46 1.08 -1.85 -2.06 115.11 114.43 2h3v h GLN 117 Ca -0.01 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.01 2h3v h GLN 117 Cb 1.48 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.76 2h3v h GLN 117 CO 0.11 0.63 -0.30 0.00 -0.95 0.00 0.00 178.83 178.32 2h3v h ALA 118 N 1.48 1.38 -0.45 3.87 0.00 -1.66 -2.70 119.26 121.17 2h3v h ALA 118 Ca 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 2h3v h ALA 118 Cb 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2h3v h ALA 118 CO -0.02 0.45 0.21 0.00 0.00 0.00 0.00 179.25 179.89 2h3v h ALA 119 N 1.58 1.53 -2.28 0.00 0.00 -1.45 -3.37 119.26 115.27 2h3v h ALA 119 Ca 0.02 -0.10 -0.49 0.00 0.00 0.00 0.00 54.91 54.34 2h3v h ALA 119 Cb 0.59 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2h3v h ALA 119 CO 0.04 0.38 -0.03 0.00 0.00 0.00 0.00 179.25 179.65 2h3v s ALA 120 N -5.37 3.53 0.00 0.00 0.00 -1.02 -4.61 121.76 114.30 2h3v s ALA 120 Ca -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2h3v s ALA 120 Cb 0.17 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.90 2h3v s ALA 120 CO 0.75 -0.17 0.00 -0.25 0.00 0.00 0.00 175.76 176.09 2h3v n ASP 121 N -1.96 0.00 -3.24 0.00 8.00 -1.26 -4.79 116.55 113.30 2h3v n ASP 121 Ca -0.02 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.34 2h3v n ASP 121 Cb 0.55 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.66 2h3v n ASP 121 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2h3v n THR 122 N 0.00 -7.90 -2.25 -3.53 -1.04 -1.26 -4.86 114.28 93.44 2h3v n THR 122 Ca 0.00 0.17 -0.43 0.00 -2.04 0.00 0.00 64.05 61.76 2h3v n THR 122 Cb 0.00 -5.60 -0.02 0.00 -1.82 0.00 0.00 70.33 62.88 2h3v n THR 122 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2h3v s GLY 123 N -2.63 1.54 -0.10 3.41 0.00 -1.26 -4.99 107.32 103.29 2h3v s GLY 123 Ca 0.13 0.59 -0.03 0.00 0.00 0.00 0.00 44.72 45.41 2h3v s GLY 123 CO 0.81 2.74 0.07 -1.31 0.00 0.00 0.00 173.10 175.40 2h3v s ASN 124 N 2.74 1.74 0.03 1.64 -0.87 -1.26 -5.13 114.94 113.83 2h3v s ASN 124 Ca 0.63 -0.25 0.01 0.00 -1.57 0.00 0.00 52.86 51.67 2h3v s ASN 124 Cb -0.25 -0.23 -0.04 0.00 -0.02 0.00 0.00 41.25 40.71 2h3v s ASN 124 CO 0.22 -0.29 0.08 0.20 -2.57 0.00 0.00 177.10 174.74 2h3v s ASN 125 N 2.12 5.62 -0.51 -1.22 -0.87 -1.26 -5.07 114.94 113.76 2h3v s ASN 125 Ca 0.03 0.09 0.07 0.00 -1.57 0.00 0.00 52.86 51.48 2h3v s ASN 125 Cb -0.14 -1.58 0.19 0.00 -0.02 0.00 0.00 41.25 39.71 2h3v s ASN 125 CO -0.06 0.24 0.75 -0.24 -2.57 0.00 0.00 177.10 175.22 2h3v n SER 126 N 0.92 -3.38 0.00 -1.22 2.88 -1.26 -4.99 113.62 106.57 2h3v n SER 126 Ca -0.11 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.56 2h3v n SER 126 Cb 0.52 1.73 0.00 0.00 -0.75 0.00 0.00 64.21 65.71 2h3v n SER 126 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2h3v n GLN 127 N 2.88 0.47 -1.70 -1.46 0.00 -1.26 -5.06 117.38 111.24 2h3v n GLN 127 Ca 0.17 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 56.78 2h3v n GLN 127 Cb 0.57 -0.91 0.03 0.00 0.00 0.00 0.00 30.24 29.93 2h3v n GLN 127 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2h3v n VAL 128 N -2.23 3.29 -0.99 1.69 0.31 -1.26 -4.99 118.33 114.15 2h3v n VAL 128 Ca 0.00 -0.50 -0.27 0.00 -0.01 0.00 0.00 64.34 63.56 2h3v n VAL 128 Cb 0.41 -1.53 0.22 0.00 -0.91 0.00 0.00 33.84 32.03 2h3v n VAL 128 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2h3v n SER 129 N -0.47 -1.97 -4.46 4.52 7.64 -1.26 -5.09 113.62 112.53 2h3v n SER 129 Ca 0.09 -1.10 -0.30 0.00 1.01 0.00 0.00 58.87 58.58 2h3v n SER 129 Cb 0.43 -0.89 -0.08 0.00 -1.01 0.00 0.00 64.21 62.66 2h3v n SER 129 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h3v s GLN 130 N -5.21 2.07 -0.09 1.43 -2.07 -1.26 -4.97 119.66 109.56 2h3v s GLN 130 Ca 0.63 -2.30 -0.04 0.00 -1.82 0.00 0.00 55.36 51.84 2h3v s GLN 130 Cb -0.06 -1.11 0.05 0.00 -1.09 0.00 0.00 33.01 30.79 2h3v s GLN 130 CO 0.48 -0.41 0.20 1.21 -1.32 0.00 0.00 175.29 175.45 2h3v s ASN 131 N -3.75 0.20 0.00 12.60 2.47 -1.26 -5.16 114.94 120.04 2h3v s ASN 131 Ca 0.14 0.43 0.28 0.00 0.42 0.00 0.00 52.86 54.13 2h3v s ASN 131 Cb 0.02 0.38 1.04 0.00 -1.45 0.00 0.00 41.25 41.24 2h3v s ASN 131 CO 0.09 -0.20 1.74 0.00 -3.72 0.00 0.00 177.10 175.00