#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 -0.58 0.20 4.61 0.00 -1.26 -5.04 121.76 119.68 2h3v s ALA 3 Ca 0.00 -0.22 0.08 0.00 0.00 0.00 0.00 51.96 51.82 2h3v s ALA 3 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2h3v s ALA 3 CO 0.00 -3.94 0.01 1.03 0.00 0.00 0.00 175.76 172.86 2h3v s ARG 4 N -4.50 2.41 -0.19 0.00 3.00 -1.26 -5.04 118.95 113.38 2h3v s ARG 4 Ca 0.68 -1.17 0.16 0.00 0.00 0.00 0.00 55.73 55.41 2h3v s ARG 4 Cb -0.24 -2.33 -0.23 0.00 0.00 0.00 0.00 34.95 32.15 2h3v s ARG 4 CO 0.64 0.43 0.05 0.00 0.00 0.00 0.00 175.30 176.43 2h3v n ALA 5 N -0.33 1.54 -1.95 2.13 0.00 -1.26 -5.00 120.51 115.64 2h3v n ALA 5 Ca -0.09 -1.22 -0.29 0.00 0.00 0.00 0.00 53.44 51.84 2h3v n ALA 5 Cb 0.56 -0.14 0.19 0.00 0.00 0.00 0.00 19.45 20.06 2h3v n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2h3v s SER 6 N -5.33 3.04 -0.05 0.00 1.04 -1.26 -4.97 113.70 106.17 2h3v s SER 6 Ca -0.10 0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.21 2h3v s SER 6 Cb 0.06 -0.04 -0.11 0.00 0.10 0.00 0.00 66.02 66.03 2h3v s SER 6 CO 0.75 -2.76 0.65 0.58 0.98 0.00 0.00 173.24 173.44 2h3v h VAL 7 N -1.57 0.40 -4.11 5.02 2.07 -1.94 -3.42 116.25 112.69 2h3v h VAL 7 Ca -0.42 -0.92 -0.63 0.00 0.82 0.00 0.00 66.70 65.54 2h3v h VAL 7 Cb 1.22 0.68 -0.31 0.00 -1.52 0.00 0.00 31.29 31.36 2h3v h VAL 7 CO 0.33 0.11 -0.86 -0.76 0.02 0.00 0.00 177.57 176.40 2h3v s LEU 8 N -8.97 2.01 0.00 2.57 1.43 -1.26 -4.51 118.68 109.96 2h3v s LEU 8 Ca -0.09 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2h3v s LEU 8 Cb 0.00 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 45.07 2h3v s LEU 8 CO 0.32 0.22 0.21 -1.54 0.23 0.00 0.00 176.35 175.79 2h3v n SER 9 N 2.90 0.14 -0.03 2.29 3.41 -1.26 -4.68 113.62 116.39 2h3v n SER 9 Ca -0.17 -1.15 -0.09 0.00 -0.26 0.00 0.00 58.87 57.20 2h3v n SER 9 Cb 0.52 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 -0.20 0.10 0.82 5.00 0.00 -2.01 0.25 103.07 107.02 2h3v h GLY 10 Ca -0.07 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2h3v h GLY 10 CO 0.06 -0.09 0.02 -1.33 0.00 0.00 0.00 176.54 175.20 2h3v h GLY 11 N -0.04 0.15 0.99 4.60 0.00 -2.02 -3.05 103.07 103.69 2h3v h GLY 11 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.35 2h3v h GLY 11 CO -0.21 0.08 0.59 0.83 0.00 0.00 0.00 176.54 177.83 2h3v h GLU 12 N -0.06 1.17 -0.77 4.80 5.08 -1.88 -1.62 114.58 121.30 2h3v h GLU 12 Ca 0.03 -0.07 0.22 0.00 -1.00 0.00 0.00 59.36 58.54 2h3v h GLU 12 Cb 0.23 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2h3v h GLU 12 CO -0.00 0.77 0.56 1.25 -1.00 0.00 0.00 179.01 180.59 2h3v h LEU 13 N 1.20 0.00 0.76 1.33 5.85 -0.40 -0.95 115.31 123.09 2h3v h LEU 13 Ca 0.33 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 59.02 2h3v h LEU 13 Cb -0.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 40.92 2h3v h LEU 13 CO -0.08 0.00 -0.37 -0.78 -0.34 0.00 0.00 178.44 176.88 2h3v h ASP 14 N 0.00 -0.87 -0.95 1.25 3.58 -1.26 -0.78 116.42 117.40 2h3v h ASP 14 Ca 0.36 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.87 2h3v h ASP 14 Cb 1.48 0.22 -0.05 0.00 1.72 0.00 0.00 39.33 42.70 2h3v h ASP 14 CO -0.00 -0.59 0.62 0.11 -2.88 0.00 0.00 179.24 176.50 2h3v h LYS 15 N -1.09 1.19 0.32 0.28 1.57 -1.47 -2.43 116.57 114.94 2h3v h LYS 15 Ca -0.10 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 2h3v h LYS 15 Cb 0.78 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2h3v h LYS 15 CO 0.17 0.79 -0.33 2.35 -0.57 0.00 0.00 179.45 181.87 2h3v h TRP 16 N 1.23 -0.88 -0.13 -1.35 2.91 -1.15 0.32 115.95 116.90 2h3v h TRP 16 Ca 0.37 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.43 2h3v h TRP 16 Cb -0.05 0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 2h3v h TRP 16 CO -0.01 -0.46 0.18 0.93 -1.03 0.00 0.00 178.44 178.05 2h3v h GLU 17 N -0.68 0.00 0.01 2.65 5.08 -0.92 -2.10 114.58 118.62 2h3v h GLU 17 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2h3v h GLU 17 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2h3v h GLU 17 CO -0.07 0.00 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.72 2h3v h LYS 18 N 0.00 -0.01 -6.57 2.33 1.63 -0.72 -3.32 116.57 109.91 2h3v h LYS 18 Ca 0.06 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.27 2h3v h LYS 18 Cb 0.41 0.00 0.12 0.00 -0.60 0.00 0.00 32.23 32.16 2h3v h LYS 18 CO -0.00 0.82 0.16 -0.89 -3.45 0.00 0.00 179.45 176.09 2h3v n ILE 19 N -4.69 2.16 -4.03 2.00 5.41 -0.03 -4.66 119.36 115.52 2h3v n ILE 19 Ca -0.09 -0.50 -0.26 0.00 1.00 0.00 0.00 62.75 62.90 2h3v n ILE 19 Cb 0.40 -1.11 -0.04 0.00 -0.71 0.00 0.00 39.64 38.18 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 -1.78 3.11 0.40 0.38 0.52 -1.26 -0.36 118.95 119.96 2h3v s ARG 20 Ca 0.60 -0.79 0.20 0.00 -0.52 0.00 0.00 55.73 55.23 2h3v s ARG 20 Cb -0.62 -2.76 0.81 0.00 0.52 0.00 0.00 34.95 32.90 2h3v s ARG 20 CO 0.59 0.49 1.79 -0.07 0.02 0.00 0.00 175.30 178.12 2h3v h LEU 21 N 2.18 0.00 -7.93 2.53 3.38 -1.78 -1.63 115.31 112.06 2h3v h LEU 21 Ca -0.48 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.39 2h3v h LEU 21 Cb 1.20 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 2h3v h LEU 21 CO 0.65 0.32 -0.46 -0.13 0.09 0.00 0.00 178.44 178.90 2h3v s ARG 22 N -3.72 0.77 0.17 1.13 0.52 -1.26 -4.12 118.95 112.45 2h3v s ARG 22 Ca -0.00 -1.02 -0.07 0.00 -0.52 0.00 0.00 55.73 54.11 2h3v s ARG 22 Cb 0.11 0.30 0.06 0.00 0.52 0.00 0.00 34.95 35.94 2h3v s ARG 22 CO 0.67 -0.22 1.52 -1.00 0.02 0.00 0.00 175.30 176.29 2h3v h PRO 23 N 2.89 0.78 -2.17 3.54 0.13 -1.93 -3.31 132.00 131.93 2h3v h PRO 23 Ca -0.34 -0.41 -0.66 0.00 -0.87 0.00 0.00 66.00 63.71 2h3v h PRO 23 Cb 1.18 0.02 -0.37 0.00 0.13 0.00 0.00 31.00 31.96 2h3v h PRO 23 CO 0.59 1.04 -0.06 0.41 -0.23 0.00 0.00 178.00 179.75 2h3v n GLY 24 N 0.10 5.81 3.15 1.56 0.00 -1.26 -5.02 105.19 109.53 2h3v n GLY 24 Ca -0.02 -2.71 -0.20 0.00 0.00 0.00 0.00 46.02 43.09 2h3v n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3v n GLY 25 N -0.24 3.00 0.77 -0.02 0.00 -1.25 -5.07 105.19 102.38 2h3v n GLY 25 Ca 0.38 -1.93 0.05 0.00 0.00 0.00 0.00 46.02 44.52 2h3v n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h3v n LYS 26 N -0.67 0.70 -3.97 1.61 4.81 -1.26 -4.98 118.16 114.41 2h3v n LYS 26 Ca 0.05 -2.29 -0.31 0.00 -0.87 0.00 0.00 58.31 54.90 2h3v n LYS 26 Cb 0.59 -0.85 -0.15 0.00 0.02 0.00 0.00 35.03 34.64 2h3v n LYS 26 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2h3v s LYS 27 N -1.48 1.58 1.37 1.64 2.20 -1.26 -5.11 119.74 118.68 2h3v s LYS 27 Ca 0.28 -2.06 -0.22 0.00 -0.36 0.00 0.00 55.97 53.61 2h3v s LYS 27 Cb 0.28 -3.15 0.35 0.00 -1.51 0.00 0.00 37.83 33.80 2h3v s LYS 27 CO -0.07 -1.00 0.98 -0.65 -0.36 0.00 0.00 175.35 174.25 2h3v s GLN 28 N 0.57 -2.53 0.30 4.03 1.11 -1.26 -2.93 119.66 118.95 2h3v s GLN 28 Ca 0.13 0.07 -0.16 0.00 0.01 0.00 0.00 55.36 55.40 2h3v s GLN 28 Cb -0.21 -1.43 -0.09 0.00 -1.01 0.00 0.00 33.01 30.27 2h3v s GLN 28 CO -0.06 -4.60 0.74 0.71 0.01 0.00 0.00 175.29 172.09 2h3v s TYR 29 N -2.47 3.44 0.14 0.91 2.02 0.51 -4.60 117.35 117.30 2h3v s TYR 29 Ca 0.69 1.27 -0.05 0.00 -0.37 0.00 0.00 57.07 58.62 2h3v s TYR 29 Cb -0.12 -2.56 -0.02 0.00 -0.40 0.00 0.00 41.96 38.85 2h3v s TYR 29 CO 0.57 0.15 0.16 0.15 -1.57 0.00 0.00 175.55 175.02 2h3v s LYS 30 N -2.72 1.01 0.50 -0.62 1.02 -1.26 -4.14 119.74 113.53 2h3v s LYS 30 Ca 0.51 -1.28 0.27 0.00 0.02 0.00 0.00 55.97 55.49 2h3v s LYS 30 Cb -0.12 0.31 1.36 0.00 -0.52 0.00 0.00 37.83 38.86 2h3v s LYS 30 CO 0.18 -0.33 1.89 1.25 -0.92 0.00 0.00 175.35 177.43 2h3v h LEU 31 N 2.73 0.11 -1.20 3.17 5.85 -1.98 0.54 115.31 124.52 2h3v h LEU 31 Ca -0.33 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.59 2h3v h LEU 31 Cb 1.21 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.14 2h3v h LEU 31 CO 0.54 0.04 0.61 0.11 -0.34 0.00 0.00 178.44 179.41 2h3v h LYS 32 N 0.11 0.63 -0.02 1.25 6.56 -1.99 0.12 116.57 123.22 2h3v h LYS 32 Ca 0.41 -0.04 -0.22 0.00 -1.06 0.00 0.00 60.65 59.75 2h3v h LYS 32 Cb 1.47 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 2h3v h LYS 32 CO -0.05 0.42 -0.89 0.45 -2.06 0.00 0.00 179.45 177.31 2h3v h HIS 33 N 0.65 0.64 -0.47 -1.35 3.86 -1.30 -0.24 115.15 116.95 2h3v h HIS 33 Ca 0.53 -0.33 -0.08 0.00 -1.16 0.00 0.00 60.37 59.33 2h3v h HIS 33 Cb 0.97 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 29.34 2h3v h HIS 33 CO -0.00 1.14 -0.02 0.82 0.86 0.00 0.00 177.93 180.73 2h3v h ILE 34 N 0.27 1.24 0.18 2.45 2.04 -1.02 -2.73 117.51 119.94 2h3v h ILE 34 Ca -0.07 -1.03 -0.32 0.00 1.00 0.00 0.00 64.86 64.44 2h3v h ILE 34 Cb 1.52 0.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.51 2h3v h ILE 34 CO 0.16 0.36 -1.48 0.58 0.00 0.00 0.00 178.15 177.77 2h3v h VAL 35 N 0.73 1.25 -0.27 1.67 2.07 -1.27 -3.00 116.25 117.44 2h3v h VAL 35 Ca 0.14 -2.79 0.08 0.00 0.82 0.00 0.00 66.70 64.94 2h3v h VAL 35 Cb 0.47 2.90 -0.01 0.00 -1.52 0.00 0.00 31.29 33.14 2h3v h VAL 35 CO 0.02 0.84 0.20 -0.25 0.02 0.00 0.00 177.57 178.41 2h3v h TRP 36 N 0.10 0.00 0.01 1.57 7.01 -0.94 -0.64 115.95 123.06 2h3v h TRP 36 Ca -0.23 0.00 -0.27 0.00 2.11 0.00 0.00 58.89 60.49 2h3v h TRP 36 Cb 2.07 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 29.09 2h3v h TRP 36 CO 0.09 0.00 -1.53 0.00 -2.79 0.00 0.00 178.44 174.21 2h3v h ALA 37 N 1.84 0.65 -0.28 2.65 0.00 -1.56 -3.31 119.26 119.26 2h3v h ALA 37 Ca 0.13 -1.32 -0.07 0.00 0.00 0.00 0.00 54.91 53.65 2h3v h ALA 37 Cb 0.53 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2h3v h ALA 37 CO -0.00 1.49 -0.08 0.66 0.00 0.00 0.00 179.25 181.32 2h3v h SER 38 N 0.00 0.56 0.24 0.00 4.64 -1.02 -1.48 113.55 116.49 2h3v h SER 38 Ca -0.22 -0.37 -0.02 0.00 -0.47 0.00 0.00 61.79 60.71 2h3v h SER 38 Cb 1.95 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.89 2h3v h SER 38 CO 0.09 0.80 -0.10 0.03 -0.87 0.00 0.00 176.83 176.79 2h3v h ARG 39 N 0.31 0.00 0.00 4.77 -0.00 -1.36 -1.91 114.38 116.18 2h3v h ARG 39 Ca 0.07 0.00 -0.22 0.00 -0.50 0.00 0.00 59.98 59.33 2h3v h ARG 39 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.50 2h3v h ARG 39 CO 0.03 0.10 -1.17 1.49 0.00 0.00 0.00 179.97 180.42 2h3v h GLU 40 N 0.00 0.00 -0.10 0.04 4.57 -1.58 -3.34 114.58 114.18 2h3v h GLU 40 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2h3v h GLU 40 Cb 0.25 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2h3v h GLU 40 CO 0.01 0.75 0.02 -0.07 -1.18 0.00 0.00 179.01 178.54 2h3v h LEU 41 N 0.00 0.15 -2.17 1.64 3.38 -0.46 -2.56 115.31 115.28 2h3v h LEU 41 Ca -0.10 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.69 2h3v h LEU 41 Cb 1.78 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2h3v h LEU 41 CO 0.10 0.36 0.25 -0.08 0.09 0.00 0.00 178.44 179.16 2h3v h GLU 42 N -0.07 0.00 0.00 1.13 4.22 -0.93 0.26 114.58 119.20 2h3v h GLU 42 Ca 0.03 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.38 2h3v h GLU 42 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2h3v h GLU 42 CO 0.00 0.00 -0.43 -0.09 -2.18 0.00 0.00 179.01 176.31 2h3v h ARG 43 N 0.00 0.00 -0.92 1.92 2.43 -1.57 -3.01 114.38 113.24 2h3v h ARG 43 Ca 0.11 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 58.97 2h3v h ARG 43 Cb 0.62 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 29.98 2h3v h ARG 43 CO -0.00 0.43 0.40 1.19 -1.51 0.00 0.00 179.97 180.48 2h3v n PHE 44 N -3.48 2.27 -1.46 2.20 3.72 0.85 -4.85 117.46 116.72 2h3v n PHE 44 Ca 0.00 -1.34 -0.16 0.00 -0.05 0.00 0.00 57.45 55.91 2h3v n PHE 44 Cb 0.57 -0.72 -0.07 0.00 -0.94 0.00 0.00 39.48 38.32 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 -0.50 -0.24 -3.84 4.37 0.00 -1.13 -4.96 120.51 114.20 2h3v n ALA 45 Ca 0.42 0.26 -0.34 0.00 0.00 0.00 0.00 53.44 53.78 2h3v n ALA 45 Cb 1.34 -1.77 -0.15 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.50 2.62 0.49 0.00 1.01 -0.72 -5.00 120.40 116.30 2h3v s VAL 46 Ca 0.00 -1.14 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 2h3v s VAL 46 Cb 0.00 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.97 2h3v s VAL 46 CO 0.00 0.20 1.26 0.59 0.00 0.00 0.00 175.10 177.15 2h3v n ASN 47 N 4.62 2.35 0.00 3.32 4.13 -1.26 -1.28 115.26 127.13 2h3v n ASN 47 Ca -0.17 1.02 0.07 0.00 1.68 0.00 0.00 54.58 57.18 2h3v n ASN 47 Cb 0.46 -1.51 0.32 0.00 -1.54 0.00 0.00 39.78 37.51 2h3v n ASN 47 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2h3v n PRO 48 N -0.49 0.07 0.00 3.52 -0.04 -1.26 -2.73 135.00 134.06 2h3v n PRO 48 Ca 0.09 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 2h3v n PRO 48 Cb 0.43 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.05 -0.74 1.63 0.55 0.00 -1.26 -2.83 105.19 102.50 2h3v n GLY 49 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.07 4.84 -0.02 0.99 4.77 -1.11 -3.93 117.00 121.47 2h3v n LEU 50 Ca 0.15 -2.48 0.03 0.00 -0.03 0.00 0.00 56.01 53.67 2h3v n LEU 50 Cb 0.09 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.42 2h3v n LEU 50 CO 0.13 0.62 -0.74 0.18 -1.33 0.00 0.00 177.39 176.25 2h3v n LEU 51 N 0.21 0.00 -1.40 2.23 4.77 -1.13 -2.52 117.00 119.15 2h3v n LEU 51 Ca 0.26 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.29 2h3v n LEU 51 Cb 1.06 0.10 0.28 0.00 -2.33 0.00 0.00 43.42 42.52 2h3v n LEU 51 CO 0.29 0.10 0.69 -1.84 -1.33 0.00 0.00 177.39 175.30 2h3v n GLU 52 N -2.13 3.52 -3.73 3.23 0.28 -1.25 -4.81 120.64 115.75 2h3v n GLU 52 Ca -0.08 -2.16 -0.20 0.00 -0.16 0.00 0.00 57.16 54.56 2h3v n GLU 52 Cb 0.53 -1.95 -0.17 0.00 1.43 0.00 0.00 31.44 31.28 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 -2.10 0.03 0.61 3.84 -4.23 -1.26 -5.00 115.64 107.53 2h3v s THR 53 Ca 0.38 0.30 0.32 0.00 -1.18 0.00 0.00 61.69 61.51 2h3v s THR 53 Cb 0.28 -0.23 0.37 0.00 1.34 0.00 0.00 72.50 74.25 2h3v s THR 53 CO 0.13 0.18 2.14 -1.28 -0.54 0.00 0.00 174.62 175.25 2h3v h SER 54 N 8.14 0.00 0.18 3.99 0.87 -1.91 -0.02 113.55 124.80 2h3v h SER 54 Ca -0.21 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.11 2h3v h SER 54 Cb 1.12 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.11 2h3v h SER 54 CO 0.25 0.00 -1.08 -0.08 -0.53 0.00 0.00 176.83 175.39 2h3v h GLU 55 N 0.00 0.37 0.00 2.24 4.81 -1.94 -3.08 114.58 116.98 2h3v h GLU 55 Ca 0.05 -0.63 -0.00 0.00 -0.13 0.00 0.00 59.36 58.65 2h3v h GLU 55 Cb 0.39 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 2h3v h GLU 55 CO -0.00 1.30 -0.01 0.78 -0.73 0.00 0.00 179.01 180.36 2h3v h GLY 56 N -0.16 0.00 0.51 1.92 0.00 -1.47 -3.21 103.07 100.66 2h3v h GLY 56 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.02 2h3v h GLY 56 CO 0.18 0.00 -0.48 0.00 0.00 0.00 0.00 176.54 176.24 2h3v h ARG 58 N -0.48 0.43 -0.27 0.00 2.43 -1.54 0.24 114.38 115.20 2h3v h ARG 58 Ca -0.08 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2h3v h ARG 58 Cb 1.30 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2h3v h ARG 58 CO 0.09 0.29 0.28 1.96 -1.51 0.00 0.00 179.97 181.08 2h3v h GLN 59 N 0.45 0.00 -0.22 0.20 4.20 -1.66 0.43 115.11 118.52 2h3v h GLN 59 Ca 0.38 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.93 2h3v h GLN 59 Cb 0.54 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 2h3v h GLN 59 CO -0.37 0.00 -0.52 0.82 -0.67 0.00 0.00 178.83 178.09 2h3v h ILE 60 N 0.00 1.31 0.00 2.54 2.04 -0.61 -3.02 117.51 119.77 2h3v h ILE 60 Ca 0.13 -1.75 -0.09 0.00 1.00 0.00 0.00 64.86 64.15 2h3v h ILE 60 Cb 0.68 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2h3v h ILE 60 CO -0.00 0.55 -0.43 -0.07 0.00 0.00 0.00 178.15 178.20 2h3v h LEU 61 N 0.49 0.00 -1.17 1.44 3.38 -0.87 -2.83 115.31 115.75 2h3v h LEU 61 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2h3v h LEU 61 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2h3v h LEU 61 CO 0.10 0.43 0.00 1.23 0.09 0.00 0.00 178.44 180.29 2h3v h GLY 62 N 3.01 0.00 0.06 0.83 0.00 -1.24 0.24 103.07 105.97 2h3v h GLY 62 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 2h3v h GLY 62 CO 0.06 0.00 -2.18 -1.06 0.00 0.00 0.00 176.54 173.35 2h3v n GLN 63 N -2.95 0.67 0.05 4.80 3.00 -1.18 -4.35 117.38 117.42 2h3v n GLN 63 Ca 0.01 -0.07 0.05 0.00 -0.01 0.00 0.00 57.00 56.99 2h3v n GLN 63 Cb 0.32 -1.54 -0.06 0.00 0.00 0.00 0.00 30.24 28.96 2h3v n GLN 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2h3v n LEU 64 N -2.57 0.71 0.12 1.08 4.77 -1.08 -3.92 117.00 116.11 2h3v n LEU 64 Ca -0.21 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 55.93 2h3v n LEU 64 Cb 0.92 0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.96 2h3v n LEU 64 CO 0.44 0.01 0.51 1.56 -1.33 0.00 0.00 177.39 178.59 2h3v h GLN 65 N 0.00 -0.64 0.00 3.23 4.20 -0.71 -0.02 115.11 121.17 2h3v h GLN 65 Ca -0.10 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2h3v h GLN 65 Cb 1.32 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.24 2h3v h GLN 65 CO 0.02 -0.43 0.00 -0.35 -0.67 0.00 0.00 178.83 177.41 2h3v n PRO 66 N -4.97 0.19 -0.86 1.46 -0.04 -1.26 -2.37 135.00 127.15 2h3v n PRO 66 Ca -0.08 0.42 -0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2h3v n PRO 66 Cb 0.35 -1.86 0.24 0.00 -0.04 0.00 0.00 33.50 32.20 2h3v n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2h3v n SER 67 N -2.21 3.73 0.12 3.54 7.64 -0.57 -4.52 113.62 121.36 2h3v n SER 67 Ca 0.02 -3.41 -0.23 0.00 1.01 0.00 0.00 58.87 56.26 2h3v n SER 67 Cb 0.22 -0.68 -0.16 0.00 -1.01 0.00 0.00 64.21 62.59 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 1.71 0.75 -0.14 -3.43 3.38 -0.66 -2.52 115.31 114.40 2h3v h LEU 68 Ca 0.25 -0.93 -0.23 0.00 0.09 0.00 0.00 57.88 57.06 2h3v h LEU 68 Cb 2.01 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.53 2h3v h LEU 68 CO 0.57 1.62 -0.82 -0.61 0.09 0.00 0.00 178.44 179.30 2h3v h GLN 69 N 0.01 0.79 -0.86 1.13 5.75 -1.82 -3.15 115.11 116.95 2h3v h GLN 69 Ca -0.22 -0.67 -0.24 0.00 -0.15 0.00 0.00 58.65 57.37 2h3v h GLN 69 Cb 2.02 0.15 -0.14 0.00 1.07 0.00 0.00 27.48 30.57 2h3v h GLN 69 CO 0.24 1.27 0.30 2.41 -2.65 0.00 0.00 178.83 180.41 2h3v n THR 70 N -3.92 2.53 -4.68 2.39 -1.04 -1.25 -4.90 114.28 103.40 2h3v n THR 70 Ca -0.08 -1.35 -0.33 0.00 -2.04 0.00 0.00 64.05 60.25 2h3v n THR 70 Cb 0.77 -0.47 -0.13 0.00 -1.82 0.00 0.00 70.33 68.67 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 -0.74 1.60 0.70 3.41 0.00 -0.95 -5.02 107.32 106.32 2h3v s GLY 71 Ca 0.45 -0.88 -0.12 0.00 0.00 0.00 0.00 44.72 44.17 2h3v s GLY 71 CO 0.10 -0.27 0.71 -1.14 0.00 0.00 0.00 173.10 172.50 2h3v n SER 72 N 3.27 -1.15 -0.20 1.64 3.41 -1.26 -4.65 113.62 114.69 2h3v n SER 72 Ca -0.18 -1.02 0.20 0.00 -0.26 0.00 0.00 58.87 57.61 2h3v n SER 72 Cb 0.53 -0.61 0.56 0.00 -0.26 0.00 0.00 64.21 64.43 2h3v n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2h3v h GLU 73 N 0.00 0.29 -0.27 4.33 3.07 -1.99 -0.52 114.58 119.48 2h3v h GLU 73 Ca -0.25 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 2h3v h GLU 73 Cb 0.75 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2h3v h GLU 73 CO 0.17 0.19 0.18 0.93 -1.40 0.00 0.00 179.01 179.08 2h3v h GLU 74 N 0.30 0.36 -0.19 2.33 5.08 -2.00 -1.65 114.58 118.82 2h3v h GLU 74 Ca 0.43 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 2h3v h GLU 74 Cb 1.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2h3v h GLU 74 CO -0.12 0.24 0.07 1.25 -1.00 0.00 0.00 179.01 179.44 2h3v h LEU 75 N 0.37 0.26 -0.32 1.33 6.46 -1.41 -2.91 115.31 119.09 2h3v h LEU 75 Ca 0.10 -0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.75 2h3v h LEU 75 Cb -0.04 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 39.75 2h3v h LEU 75 CO -0.02 0.37 -0.13 0.03 -0.62 0.00 0.00 178.44 178.08 2h3v h ARG 76 N 0.14 -0.06 -0.97 1.25 3.08 -1.24 -0.86 114.38 115.72 2h3v h ARG 76 Ca 0.06 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.28 2h3v h ARG 76 Cb 0.20 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.16 2h3v h ARG 76 CO -0.00 -0.04 0.57 0.77 -1.07 0.00 0.00 179.97 180.20 2h3v h SER 77 N -0.07 0.75 0.62 7.04 0.02 -1.21 -1.45 113.55 119.25 2h3v h SER 77 Ca 0.16 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2h3v h SER 77 Cb 0.31 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 62.81 2h3v h SER 77 CO -0.37 0.31 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.26 2h3v h LEU 78 N 0.78 -0.71 -2.00 5.07 -0.00 -0.99 -1.67 115.31 115.80 2h3v h LEU 78 Ca 0.54 -0.01 0.23 0.00 -0.00 0.00 0.00 57.88 58.63 2h3v h LEU 78 Cb 0.76 0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 41.57 2h3v h LEU 78 CO -0.35 -0.43 0.57 0.22 -0.00 0.00 0.00 178.44 178.45 2h3v h TYR 79 N -0.95 0.00 0.38 1.13 3.20 -0.75 0.23 116.97 120.20 2h3v h TYR 79 Ca -0.09 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.77 2h3v h TYR 79 Cb 0.68 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.95 2h3v h TYR 79 CO -0.01 0.00 -0.18 -0.91 -1.64 0.00 0.00 178.16 175.42 2h3v h ASN 80 N 0.00 -0.43 -0.28 -2.11 2.35 -0.92 -2.74 115.58 111.44 2h3v h ASN 80 Ca 0.38 -0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.07 2h3v h ASN 80 Cb 1.52 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.99 2h3v h ASN 80 CO -0.00 0.01 0.18 0.74 -1.65 0.00 0.00 177.43 176.70 2h3v h THR 81 N -1.08 1.05 -0.74 2.81 2.02 -0.57 -2.63 112.91 113.76 2h3v h THR 81 Ca -0.05 -0.12 0.14 0.00 0.77 0.00 0.00 66.41 67.14 2h3v h THR 81 Cb 0.47 0.66 -0.09 0.00 -1.74 0.00 0.00 68.15 67.44 2h3v h THR 81 CO 0.09 0.07 0.29 0.40 0.37 0.00 0.00 175.52 176.73 2h3v h ILE 82 N 0.36 0.67 -0.81 3.11 2.04 -0.69 0.28 117.51 122.48 2h3v h ILE 82 Ca 0.11 -0.15 0.15 0.00 1.00 0.00 0.00 64.86 65.97 2h3v h ILE 82 Cb -0.02 0.19 -0.10 0.00 -0.74 0.00 0.00 36.82 36.16 2h3v h ILE 82 CO -0.04 0.08 0.37 0.00 0.00 0.00 0.00 178.15 178.56 2h3v h ALA 83 N 1.53 1.18 0.13 1.87 0.00 -1.14 -0.56 119.26 122.28 2h3v h ALA 83 Ca 0.40 0.10 -0.28 0.00 0.00 0.00 0.00 54.91 55.13 2h3v h ALA 83 Cb 0.60 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.44 2h3v h ALA 83 CO -0.40 -0.16 -1.24 0.28 0.00 0.00 0.00 179.25 177.73 2h3v h VAL 84 N 0.53 1.41 0.00 0.00 2.07 -1.05 -2.94 116.25 116.27 2h3v h VAL 84 Ca 0.44 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 65.15 2h3v h VAL 84 Cb 0.66 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 2h3v h VAL 84 CO -0.39 0.83 0.00 0.25 0.02 0.00 0.00 177.57 178.28 2h3v h LEU 85 N 0.14 0.00 0.00 2.57 5.85 0.54 -2.41 115.31 122.00 2h3v h LEU 85 Ca -0.16 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.26 2h3v h LEU 85 Cb 1.94 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.93 2h3v h LEU 85 CO 0.22 0.00 -1.65 0.00 -0.34 0.00 0.00 178.44 176.66 2h3v n TYR 86 N -2.51 0.72 0.22 1.25 9.36 -0.32 -4.05 117.16 121.83 2h3v n TYR 86 Ca -0.01 0.31 0.18 0.00 3.32 0.00 0.00 57.90 61.70 2h3v n TYR 86 Cb 0.11 -1.07 0.85 0.00 -0.63 0.00 0.00 39.34 38.60 2h3v n TYR 86 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2h3v h VAL 88 N 0.00 1.31 0.00 0.00 2.07 -1.60 0.30 116.25 118.33 2h3v h VAL 88 Ca 0.08 -1.91 -0.23 0.00 0.82 0.00 0.00 66.70 65.46 2h3v h VAL 88 Cb 0.57 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 2h3v h VAL 88 CO -0.00 0.60 -1.48 0.45 0.02 0.00 0.00 177.57 177.16 2h3v h HIS 89 N 0.47 0.00 -0.01 1.57 -0.00 -1.11 -3.34 115.15 112.74 2h3v h HIS 89 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2h3v h HIS 89 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 2h3v h HIS 89 CO 0.06 0.80 -0.60 1.04 -0.00 0.00 0.00 177.93 179.24 2h3v n GLN 90 N -3.01 0.48 -3.22 2.45 1.13 0.58 -4.93 117.38 110.85 2h3v n GLN 90 Ca -0.12 -0.35 -0.15 0.00 -1.94 0.00 0.00 57.00 54.44 2h3v n GLN 90 Cb 0.94 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.87 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 -0.96 -5.67 -3.25 -1.09 0.63 0.87 -4.98 116.66 102.22 2h3v n ARG 91 Ca 0.07 0.68 -0.40 0.00 -0.92 0.00 0.00 57.85 57.29 2h3v n ARG 91 Cb 0.37 -5.23 -0.07 0.00 0.45 0.00 0.00 32.46 27.97 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 -3.28 5.08 0.02 5.15 1.01 -0.14 -5.02 121.20 124.02 2h3v s ILE 92 Ca 0.13 0.88 -0.33 0.00 0.00 0.00 0.00 60.65 61.32 2h3v s ILE 92 Cb -0.06 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.47 2h3v s ILE 92 CO 0.59 0.11 1.79 0.47 0.00 0.00 0.00 174.94 177.90 2h3v n ASP 93 N 5.37 3.46 -3.74 3.58 9.92 -1.26 -4.81 116.55 129.07 2h3v n ASP 93 Ca -0.04 1.00 -0.14 0.00 -0.53 0.00 0.00 54.79 55.08 2h3v n ASP 93 Cb 0.50 -1.42 -0.09 0.00 -0.64 0.00 0.00 41.12 39.47 2h3v n ASP 93 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2h3v s VAL 94 N 2.96 0.04 -0.12 2.53 -7.23 -1.26 -4.82 120.40 112.51 2h3v s VAL 94 Ca 0.87 -0.35 0.18 0.00 -1.81 0.00 0.00 61.98 60.87 2h3v s VAL 94 Cb -0.65 -0.63 -0.27 0.00 0.56 0.00 0.00 36.38 35.40 2h3v s VAL 94 CO 0.45 -0.19 0.23 1.17 -0.31 0.00 0.00 175.10 176.44 2h3v n LYS 95 N 1.54 0.80 -2.67 4.82 4.81 -1.26 -4.98 118.16 121.23 2h3v n LYS 95 Ca -0.20 -0.08 -0.04 0.00 -0.87 0.00 0.00 58.31 57.12 2h3v n LYS 95 Cb 0.56 -1.48 0.02 0.00 0.02 0.00 0.00 35.03 34.15 2h3v n LYS 95 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2h3v n ASP 96 N -2.48 -1.25 -0.17 3.14 5.68 -1.26 -4.13 116.55 116.08 2h3v n ASP 96 Ca -0.19 -1.82 0.02 0.00 -0.50 0.00 0.00 54.79 52.31 2h3v n ASP 96 Cb 0.86 2.07 0.30 0.00 -1.14 0.00 0.00 41.12 43.21 2h3v n ASP 96 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2h3v h THR 97 N 1.57 1.14 -0.24 2.12 2.02 -1.45 -2.30 112.91 115.77 2h3v h THR 97 Ca -0.18 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 2h3v h THR 97 Cb 0.71 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2h3v h THR 97 CO 0.24 0.16 0.06 0.11 0.37 0.00 0.00 175.52 176.46 2h3v h LYS 98 N 0.87 0.39 -0.01 6.66 1.79 -1.87 -2.69 116.57 121.71 2h3v h LYS 98 Ca 0.26 -0.09 0.02 0.00 -2.18 0.00 0.00 60.65 58.65 2h3v h LYS 98 Cb -0.03 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 2h3v h LYS 98 CO -0.06 0.49 -0.11 1.49 -1.08 0.00 0.00 179.45 180.17 2h3v h GLU 99 N 0.22 -0.19 -0.21 3.15 4.22 -1.84 -0.96 114.58 118.98 2h3v h GLU 99 Ca 0.08 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.59 2h3v h GLU 99 Cb 0.28 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2h3v h GLU 99 CO 0.00 -0.12 0.25 0.00 -2.18 0.00 0.00 179.01 176.95 2h3v h ALA 100 N 0.78 1.81 -0.21 2.92 0.00 -1.39 -0.47 119.26 122.70 2h3v h ALA 100 Ca 0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2h3v h ALA 100 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2h3v h ALA 100 CO -0.12 -0.35 -0.42 1.25 0.00 0.00 0.00 179.25 179.61 2h3v h LEU 101 N 0.00 0.73 -0.12 0.00 7.12 -0.84 -2.87 115.31 119.34 2h3v h LEU 101 Ca 0.10 -0.55 -0.12 0.00 0.13 0.00 0.00 57.88 57.44 2h3v h LEU 101 Cb 0.59 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 2h3v h LEU 101 CO -0.00 1.14 -0.41 -0.78 -0.13 0.00 0.00 178.44 178.26 2h3v h ASP 102 N 0.35 0.57 -0.40 1.25 3.58 -0.82 0.34 116.42 121.30 2h3v h ASP 102 Ca 0.01 -0.61 0.12 0.00 0.42 0.00 0.00 57.03 56.96 2h3v h ASP 102 Cb 1.02 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2h3v h ASP 102 CO 0.09 1.08 0.30 0.11 -2.88 0.00 0.00 179.24 177.94 2h3v h LYS 103 N 0.09 0.00 0.00 0.28 1.79 -1.25 0.28 116.57 117.76 2h3v h LYS 103 Ca -0.02 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.28 2h3v h LYS 103 Cb 1.03 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 2h3v h LYS 103 CO 0.09 0.00 -1.77 -0.89 -1.08 0.00 0.00 179.45 175.79 2h3v n ILE 104 N -4.33 0.94 0.08 1.86 5.41 -1.08 -3.70 119.36 118.53 2h3v n ILE 104 Ca 0.07 -0.68 -0.10 0.00 1.00 0.00 0.00 62.75 63.03 2h3v n ILE 104 Cb 0.49 -0.48 -0.03 0.00 -0.71 0.00 0.00 39.64 38.91 2h3v n ILE 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2h3v h GLU 105 N 0.00 0.23 -0.07 0.38 4.81 0.67 -3.23 114.58 117.37 2h3v h GLU 105 Ca -0.21 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 58.68 2h3v h GLU 105 Cb 1.59 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.05 2h3v h GLU 105 CO 0.03 1.00 -0.24 0.93 -0.73 0.00 0.00 179.01 180.00 2h3v h GLU 106 N 0.13 0.29 -0.85 1.92 4.39 -0.69 -0.44 114.58 119.33 2h3v h GLU 106 Ca -0.05 -0.21 0.22 0.00 0.34 0.00 0.00 59.36 59.65 2h3v h GLU 106 Cb 1.55 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 30.19 2h3v h GLU 106 CO 0.14 0.84 0.58 1.49 -1.16 0.00 0.00 179.01 180.91 2h3v h GLU 107 N -0.20 0.21 0.14 2.33 4.57 -1.65 0.26 114.58 120.24 2h3v h GLU 107 Ca -0.01 -0.01 -0.32 0.00 -1.18 0.00 0.00 59.36 57.84 2h3v h GLU 107 Cb 0.86 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2h3v h GLU 107 CO 0.05 0.14 -1.68 1.96 -1.18 0.00 0.00 179.01 178.30 2h3v h GLN 108 N 0.22 0.29 -0.14 1.92 4.20 -1.56 -3.34 115.11 116.70 2h3v h GLN 108 Ca 0.43 -0.49 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 2h3v h GLN 108 Cb 1.33 0.18 -0.01 0.00 0.30 0.00 0.00 27.48 29.28 2h3v h GLN 108 CO -0.10 1.24 0.01 -0.91 -0.67 0.00 0.00 178.83 178.40 2h3v h ASN 109 N -0.10 0.17 -0.20 1.46 2.35 0.04 -1.74 115.58 117.55 2h3v h ASN 109 Ca -0.35 -0.01 -0.07 0.00 -0.55 0.00 0.00 56.30 55.31 2h3v h ASN 109 Cb 1.92 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 40.23 2h3v h ASN 109 CO 0.09 0.19 -0.09 0.11 -1.65 0.00 0.00 177.43 176.08 2h3v h LYS 110 N 0.19 0.56 0.00 0.81 1.79 -0.67 -2.53 116.57 116.71 2h3v h LYS 110 Ca 0.05 -0.16 -0.12 0.00 -2.18 0.00 0.00 60.65 58.24 2h3v h LYS 110 Cb 0.11 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2h3v h LYS 110 CO -0.00 0.65 -0.59 0.77 -1.08 0.00 0.00 179.45 179.20 2h3v h SER 111 N 0.52 0.00 -0.25 0.86 0.02 -1.44 -3.05 113.55 110.21 2h3v h SER 111 Ca 0.10 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2h3v h SER 111 Cb 0.48 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2h3v h SER 111 CO 0.03 0.59 0.05 0.50 -1.14 0.00 0.00 176.83 176.85 2h3v h LYS 112 N 0.00 0.52 -0.53 3.45 3.64 -1.16 -2.06 116.57 120.43 2h3v h LYS 112 Ca -0.01 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.20 2h3v h LYS 112 Cb 1.09 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2h3v h LYS 112 CO 0.08 0.51 0.02 -0.22 -2.27 0.00 0.00 179.45 177.56 2h3v h LYS 113 N 0.50 0.88 -0.29 1.90 3.11 -1.47 0.15 116.57 121.35 2h3v h LYS 113 Ca 0.11 -0.24 -0.13 0.00 -2.81 0.00 0.00 60.65 57.58 2h3v h LYS 113 Cb 0.25 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 2h3v h LYS 113 CO 0.00 0.87 -0.33 -0.22 -2.81 0.00 0.00 179.45 176.96 2h3v h LYS 114 N 0.82 0.73 0.00 1.90 3.11 -1.50 -1.51 116.57 120.12 2h3v h LYS 114 Ca 0.16 -0.40 -0.11 0.00 -2.81 0.00 0.00 60.65 57.48 2h3v h LYS 114 Cb 0.46 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.70 2h3v h LYS 114 CO 0.02 1.03 -0.53 0.00 -2.81 0.00 0.00 179.45 177.16 2h3v h ALA 115 N 0.70 0.97 -0.70 5.00 0.00 -1.24 -3.06 119.26 120.93 2h3v h ALA 115 Ca 0.04 -0.48 -0.38 0.00 0.00 0.00 0.00 54.91 54.09 2h3v h ALA 115 Cb 0.91 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.40 2h3v h ALA 115 CO 0.08 0.66 0.28 1.04 0.00 0.00 0.00 179.25 181.31 2h3v n GLN 116 N -3.68 2.14 0.10 0.00 1.13 0.50 -4.65 117.38 112.92 2h3v n GLN 116 Ca -0.01 -3.16 0.19 0.00 -1.94 0.00 0.00 57.00 52.08 2h3v n GLN 116 Cb 0.58 -2.03 0.75 0.00 0.11 0.00 0.00 30.24 29.65 2h3v n GLN 116 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 2h3v h GLN 117 N 1.12 0.00 -0.46 -1.09 4.15 -1.17 0.20 115.11 117.86 2h3v h GLN 117 Ca 0.44 0.00 -0.18 0.00 0.77 0.00 0.00 58.65 59.68 2h3v h GLN 117 Cb 2.13 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 29.71 2h3v h GLN 117 CO 0.81 0.00 0.08 0.00 -1.93 0.00 0.00 178.83 177.78 2h3v n ALA 118 N -2.46 4.17 -2.11 3.38 0.00 -1.26 -4.41 120.51 117.82 2h3v n ALA 118 Ca 0.06 -2.80 -0.01 0.00 0.00 0.00 0.00 53.44 50.68 2h3v n ALA 118 Cb 0.49 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 2h3v n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3v n ALA 119 N -0.86 2.66 -0.05 0.00 0.00 0.64 -4.91 120.51 117.98 2h3v n ALA 119 Ca 0.35 -0.92 -0.06 0.00 0.00 0.00 0.00 53.44 52.80 2h3v n ALA 119 Cb 1.12 -0.36 -0.05 0.00 0.00 0.00 0.00 19.45 20.16 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 0.11 1.78 -1.41 0.00 0.00 -0.81 -4.73 120.51 115.46 2h3v n ALA 120 Ca -0.08 -0.46 -0.39 0.00 0.00 0.00 0.00 53.44 52.51 2h3v n ALA 120 Cb 0.74 0.22 -0.03 0.00 0.00 0.00 0.00 19.45 20.39 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 -2.69 8.43 -4.48 0.00 2.03 -1.26 -4.88 116.55 113.70 2h3v n ASP 121 Ca -0.17 -2.65 -0.23 0.00 0.52 0.00 0.00 54.79 52.26 2h3v n ASP 121 Cb 0.71 -1.54 -0.11 0.00 -0.72 0.00 0.00 41.12 39.46 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 1.86 1.57 -0.49 5.18 -4.23 -1.26 -5.05 115.64 113.21 2h3v s THR 122 Ca 0.67 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 59.10 2h3v s THR 122 Cb 0.18 -2.72 0.18 0.00 1.34 0.00 0.00 72.50 71.48 2h3v s THR 122 CO -0.06 -0.11 2.42 0.61 -0.54 0.00 0.00 174.62 176.93 2h3v n GLY 123 N -0.72 4.60 3.35 3.99 0.00 -1.26 -4.98 105.19 110.16 2h3v n GLY 123 Ca -0.04 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 2h3v n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2h3v s ASN 124 N -0.10 -0.52 0.86 1.61 0.01 -1.26 -4.98 114.94 110.56 2h3v s ASN 124 Ca 0.52 1.10 -0.11 0.00 -0.71 0.00 0.00 52.86 53.65 2h3v s ASN 124 Cb 0.37 -1.63 0.11 0.00 0.41 0.00 0.00 41.25 40.51 2h3v s ASN 124 CO -0.17 -5.06 1.09 0.21 -1.51 0.00 0.00 177.10 171.65 2h3v s ASN 125 N -2.86 3.80 -0.38 -1.22 3.84 -1.26 -5.01 114.94 111.85 2h3v s ASN 125 Ca 0.69 1.54 -0.13 0.00 0.21 0.00 0.00 52.86 55.16 2h3v s ASN 125 Cb -0.18 -2.23 0.01 0.00 -0.55 0.00 0.00 41.25 38.31 2h3v s ASN 125 CO 0.61 -2.44 0.25 -0.94 -2.79 0.00 0.00 177.10 171.79 2h3v s SER 126 N -3.47 5.96 -0.47 -4.21 1.04 -1.26 -4.96 113.70 106.33 2h3v s SER 126 Ca 0.63 -0.79 0.06 0.00 0.48 0.00 0.00 55.95 56.33 2h3v s SER 126 Cb -0.17 -2.11 0.23 0.00 0.10 0.00 0.00 66.02 64.07 2h3v s SER 126 CO 0.56 -0.37 0.77 1.67 0.98 0.00 0.00 173.24 176.86 2h3v n GLN 127 N 5.09 0.71 -0.92 4.02 7.27 -1.26 -4.98 117.38 127.32 2h3v n GLN 127 Ca -0.12 -2.13 -0.14 0.00 0.07 0.00 0.00 57.00 54.68 2h3v n GLN 127 Cb 0.47 -1.43 0.17 0.00 2.41 0.00 0.00 30.24 31.87 2h3v n GLN 127 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 2h3v n VAL 128 N 1.82 2.63 -4.67 1.69 0.24 -1.26 -5.04 118.33 113.73 2h3v n VAL 128 Ca 0.13 -1.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.01 2h3v n VAL 128 Cb 0.59 -0.54 -0.00 0.00 -1.47 0.00 0.00 33.84 32.43 2h3v n VAL 128 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2h3v n SER 129 N -0.55 -5.71 -3.62 -1.34 2.88 -1.26 -4.92 113.62 99.10 2h3v n SER 129 Ca 0.42 0.02 -0.01 0.00 -1.33 0.00 0.00 58.87 57.98 2h3v n SER 129 Cb 1.35 -0.06 -0.04 0.00 -0.75 0.00 0.00 64.21 64.70 2h3v n SER 129 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2h3v s GLN 130 N -0.03 0.55 -0.90 -1.46 2.00 -1.26 -5.09 119.66 113.47 2h3v s GLN 130 Ca 0.00 1.38 -0.25 0.00 -2.00 0.00 0.00 55.36 54.49 2h3v s GLN 130 Cb 0.00 0.82 -0.08 0.00 0.80 0.00 0.00 33.01 34.55 2h3v s GLN 130 CO 0.00 -0.19 2.06 -0.80 -0.50 0.00 0.00 175.29 175.86 2h3v s ASN 131 N 2.82 4.79 0.00 6.67 0.02 -1.26 -5.33 114.94 122.65 2h3v s ASN 131 Ca -0.06 -0.60 0.32 0.00 -1.02 0.00 0.00 52.86 51.50 2h3v s ASN 131 Cb -0.11 -2.56 1.89 0.00 0.02 0.00 0.00 41.25 40.49 2h3v s ASN 131 CO -0.19 -3.10 2.21 0.00 0.02 0.00 0.00 177.10 176.05