#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 1.42 0.18 4.61 0.00 -1.26 -4.97 121.76 121.74 2h3v s ALA 3 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 2h3v s ALA 3 Cb 0.00 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 2h3v s ALA 3 CO 0.00 -2.51 1.14 0.50 0.00 0.00 0.00 175.76 174.89 2h3v s ARG 4 N -4.80 4.55 0.45 0.00 6.06 -1.26 -5.04 118.95 118.90 2h3v s ARG 4 Ca 0.64 1.78 0.03 0.00 -2.50 0.00 0.00 55.73 55.68 2h3v s ARG 4 Cb -0.20 -3.26 -0.02 0.00 0.06 0.00 0.00 34.95 31.52 2h3v s ARG 4 CO 0.58 -0.00 0.07 0.00 -2.50 0.00 0.00 175.30 173.44 2h3v s ALA 5 N -0.13 3.42 0.45 6.12 0.00 -1.26 -5.09 121.76 125.28 2h3v s ALA 5 Ca 0.51 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.51 2h3v s ALA 5 Cb -0.31 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.22 2h3v s ALA 5 CO 0.35 -0.19 0.00 0.45 0.00 0.00 0.00 175.76 176.38 2h3v n SER 6 N -1.25 -8.30 -0.04 0.00 2.88 -1.26 -4.82 113.62 100.84 2h3v n SER 6 Ca -0.11 0.95 -0.02 0.00 -1.33 0.00 0.00 58.87 58.35 2h3v n SER 6 Cb 0.66 -4.44 -0.01 0.00 -0.75 0.00 0.00 64.21 59.67 2h3v n SER 6 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2h3v h VAL 7 N -1.32 0.00 -3.27 2.46 2.07 -1.93 -3.43 116.25 110.83 2h3v h VAL 7 Ca -0.07 -0.61 -0.66 0.00 0.82 0.00 0.00 66.70 66.17 2h3v h VAL 7 Cb 1.29 0.00 -0.30 0.00 -1.52 0.00 0.00 31.29 30.76 2h3v h VAL 7 CO 0.04 0.00 -0.79 -0.76 0.02 0.00 0.00 177.57 176.08 2h3v s LEU 8 N -6.79 2.54 0.00 2.57 1.43 -1.26 -4.70 118.68 112.46 2h3v s LEU 8 Ca -0.07 -0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 2h3v s LEU 8 Cb 0.01 -1.60 0.14 0.00 0.03 0.00 0.00 46.19 44.78 2h3v s LEU 8 CO 0.10 0.04 0.57 -1.54 0.23 0.00 0.00 176.35 175.75 2h3v n SER 9 N 4.34 -1.24 -0.06 2.29 3.41 -1.26 -4.48 113.62 116.61 2h3v n SER 9 Ca -0.19 -0.91 -0.07 0.00 -0.26 0.00 0.00 58.87 57.44 2h3v n SER 9 Cb 0.51 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.47 0.17 0.87 5.00 0.00 -2.00 0.25 103.07 105.89 2h3v h GLY 10 Ca -0.21 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2h3v h GLY 10 CO 0.14 -0.11 0.02 -1.33 0.00 0.00 0.00 176.54 175.25 2h3v h GLY 11 N -0.02 0.06 0.99 4.60 0.00 -2.01 -2.53 103.07 104.15 2h3v h GLY 11 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.44 2h3v h GLY 11 CO -0.28 0.03 0.64 0.83 0.00 0.00 0.00 176.54 177.76 2h3v h GLU 12 N -0.08 1.26 -0.92 4.80 5.08 -1.83 -2.11 114.58 120.78 2h3v h GLU 12 Ca 0.01 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2h3v h GLU 12 Cb 0.14 -0.29 -0.05 0.00 0.50 0.00 0.00 28.75 29.05 2h3v h GLU 12 CO -0.00 0.84 0.60 1.25 -1.00 0.00 0.00 179.01 180.70 2h3v h LEU 13 N 1.30 0.98 0.72 1.33 6.46 -0.35 0.22 115.31 125.98 2h3v h LEU 13 Ca 0.36 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.08 2h3v h LEU 13 Cb -0.13 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.58 2h3v h LEU 13 CO -0.08 0.67 -0.43 0.44 -0.62 0.00 0.00 178.44 178.41 2h3v h ASP 14 N 1.13 -1.07 -0.28 1.25 3.32 -0.95 -1.07 116.42 118.76 2h3v h ASP 14 Ca 0.37 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 2h3v h ASP 14 Cb 0.05 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2h3v h ASP 14 CO -0.12 -0.67 0.02 0.11 -1.72 0.00 0.00 179.24 176.86 2h3v h LYS 15 N -1.07 0.60 -0.05 3.56 6.56 -1.38 -2.93 116.57 121.85 2h3v h LYS 15 Ca -0.09 -0.13 0.02 0.00 -1.06 0.00 0.00 60.65 59.39 2h3v h LYS 15 Cb 0.86 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 32.41 2h3v h LYS 15 CO 0.10 0.61 -0.07 2.35 -2.06 0.00 0.00 179.45 180.38 2h3v h TRP 16 N 0.57 -0.17 0.00 -1.35 2.91 -0.31 -0.60 115.95 117.00 2h3v h TRP 16 Ca 0.12 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 2h3v h TRP 16 Cb 0.34 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 29.07 2h3v h TRP 16 CO 0.01 -0.11 -0.02 0.93 -1.03 0.00 0.00 178.44 178.22 2h3v h GLU 17 N -0.10 0.00 -0.00 2.65 5.08 -1.03 -2.59 114.58 118.59 2h3v h GLU 17 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2h3v h GLU 17 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2h3v h GLU 17 CO -0.11 0.02 -0.09 -0.22 -1.00 0.00 0.00 179.01 177.61 2h3v h LYS 18 N 0.00 0.07 -6.54 2.33 3.64 -1.06 -3.30 116.57 111.70 2h3v h LYS 18 Ca -0.00 -0.07 -0.60 0.00 -1.27 0.00 0.00 60.65 58.71 2h3v h LYS 18 Cb 0.06 0.02 0.11 0.00 -0.41 0.00 0.00 32.23 32.01 2h3v h LYS 18 CO 0.00 0.82 0.27 -0.89 -2.27 0.00 0.00 179.45 177.38 2h3v n ILE 19 N -4.64 1.84 -4.15 2.00 5.41 -0.35 -4.66 119.36 114.80 2h3v n ILE 19 Ca -0.09 -0.46 -0.31 0.00 1.00 0.00 0.00 62.75 62.88 2h3v n ILE 19 Cb 0.42 -1.17 -0.08 0.00 -0.71 0.00 0.00 39.64 38.10 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 -1.47 2.76 0.39 0.38 0.52 -0.38 -0.27 118.95 120.89 2h3v s ARG 20 Ca 0.59 -0.69 0.08 0.00 -0.52 0.00 0.00 55.73 55.19 2h3v s ARG 20 Cb -0.67 -2.66 0.84 0.00 0.52 0.00 0.00 34.95 32.97 2h3v s ARG 20 CO 0.59 0.58 2.00 -0.07 0.02 0.00 0.00 175.30 178.43 2h3v h LEU 21 N 3.75 0.54 -8.86 2.53 3.38 -1.79 -1.60 115.31 113.26 2h3v h LEU 21 Ca -0.48 -0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.05 2h3v h LEU 21 Cb 1.17 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 2h3v h LEU 21 CO 0.61 0.36 -0.73 -0.13 0.09 0.00 0.00 178.44 178.64 2h3v s ARG 22 N -5.56 1.29 0.27 1.13 0.52 -1.26 -3.69 118.95 111.65 2h3v s ARG 22 Ca -0.09 -1.56 0.04 0.00 -0.52 0.00 0.00 55.73 53.60 2h3v s ARG 22 Cb 0.19 -1.06 0.36 0.00 0.52 0.00 0.00 34.95 34.95 2h3v s ARG 22 CO 0.75 0.17 1.65 -1.00 0.02 0.00 0.00 175.30 176.89 2h3v h PRO 23 N 2.61 0.31 -0.99 3.54 0.13 -1.94 -3.31 132.00 132.35 2h3v h PRO 23 Ca -0.38 -0.16 -0.45 0.00 -0.87 0.00 0.00 66.00 64.13 2h3v h PRO 23 Cb 1.22 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.94 2h3v h PRO 23 CO 0.62 0.70 -0.94 0.41 -0.23 0.00 0.00 178.00 178.56 2h3v n GLY 24 N -0.05 4.17 0.00 1.56 0.00 -1.26 -5.03 105.19 104.57 2h3v n GLY 24 Ca -0.02 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.46 3.65 2.67 -0.02 0.00 -1.25 -5.08 105.19 104.70 2h3v n GLY 25 Ca 0.27 -2.16 -0.07 0.00 0.00 0.00 0.00 46.02 44.05 2h3v n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h3v n LYS 26 N -0.33 1.92 -3.41 1.61 5.02 -1.26 -4.98 118.16 116.73 2h3v n LYS 26 Ca 0.00 -3.59 -0.25 0.00 -2.02 0.00 0.00 58.31 52.46 2h3v n LYS 26 Cb 0.00 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.27 2h3v n LYS 26 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2h3v s LYS 27 N -3.59 0.61 1.31 1.97 2.20 -1.26 -5.14 119.74 115.84 2h3v s LYS 27 Ca 0.31 -1.24 -0.18 0.00 -0.36 0.00 0.00 55.97 54.51 2h3v s LYS 27 Cb 0.37 -1.10 0.33 0.00 -1.51 0.00 0.00 37.83 35.91 2h3v s LYS 27 CO -0.02 -1.22 0.89 1.04 -0.36 0.00 0.00 175.35 175.68 2h3v n GLN 28 N 4.00 -3.52 -3.07 4.03 3.00 -1.26 -2.90 117.38 117.66 2h3v n GLN 28 Ca 0.13 -1.02 -0.32 0.00 -0.01 0.00 0.00 57.00 55.78 2h3v n GLN 28 Cb 0.41 -2.03 -0.06 0.00 0.00 0.00 0.00 30.24 28.56 2h3v n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2h3v s TYR 29 N -2.26 3.36 0.17 1.08 2.02 0.63 -4.64 117.35 117.70 2h3v s TYR 29 Ca 0.67 1.29 -0.09 0.00 -0.37 0.00 0.00 57.07 58.56 2h3v s TYR 29 Cb -0.19 -2.59 -0.01 0.00 -0.40 0.00 0.00 41.96 38.77 2h3v s TYR 29 CO 0.62 0.05 0.29 0.21 -1.57 0.00 0.00 175.55 175.14 2h3v s LYS 30 N -3.05 1.16 0.53 -0.62 2.36 -1.26 -4.19 119.74 114.68 2h3v s LYS 30 Ca 0.56 -1.17 0.30 0.00 -2.55 0.00 0.00 55.97 53.11 2h3v s LYS 30 Cb -0.10 0.38 1.45 0.00 -1.05 0.00 0.00 37.83 38.51 2h3v s LYS 30 CO 0.17 -0.43 1.91 -0.07 1.55 0.00 0.00 175.35 178.48 2h3v h LEU 31 N 2.53 0.02 -1.27 5.43 3.38 -1.98 0.54 115.31 123.96 2h3v h LEU 31 Ca -0.32 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.85 2h3v h LEU 31 Cb 1.23 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 2h3v h LEU 31 CO 0.48 0.01 0.61 0.11 0.09 0.00 0.00 178.44 179.73 2h3v h LYS 32 N 0.02 0.58 0.03 1.13 1.57 -1.99 0.43 116.57 118.33 2h3v h LYS 32 Ca 0.39 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.91 2h3v h LYS 32 Cb 1.54 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.71 2h3v h LYS 32 CO -0.01 0.38 -0.98 0.45 -0.57 0.00 0.00 179.45 178.72 2h3v h HIS 33 N 0.60 0.44 -0.36 -1.35 3.86 -1.30 -1.30 115.15 115.74 2h3v h HIS 33 Ca 0.52 -0.26 -0.11 0.00 -1.16 0.00 0.00 60.37 59.36 2h3v h HIS 33 Cb 1.02 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 2h3v h HIS 33 CO -0.00 1.10 -0.23 0.82 0.86 0.00 0.00 177.93 180.48 2h3v h ILE 34 N 0.14 1.27 0.19 2.45 2.04 -0.98 -2.88 117.51 119.74 2h3v h ILE 34 Ca -0.07 -1.33 -0.31 0.00 1.00 0.00 0.00 64.86 64.15 2h3v h ILE 34 Cb 1.64 1.24 0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2h3v h ILE 34 CO 0.16 0.44 -1.36 0.58 0.00 0.00 0.00 178.15 177.97 2h3v h VAL 35 N 0.63 1.39 -0.61 1.67 2.07 -1.23 -2.87 116.25 117.30 2h3v h VAL 35 Ca 0.09 -2.87 0.09 0.00 0.82 0.00 0.00 66.70 64.84 2h3v h VAL 35 Cb 0.72 2.99 -0.04 0.00 -1.52 0.00 0.00 31.29 33.45 2h3v h VAL 35 CO 0.06 0.85 0.41 -0.25 0.02 0.00 0.00 177.57 178.65 2h3v h TRP 36 N 0.12 0.46 0.07 1.57 7.01 -1.18 -1.23 115.95 122.77 2h3v h TRP 36 Ca -0.20 0.01 -0.27 0.00 2.11 0.00 0.00 58.89 60.54 2h3v h TRP 36 Cb 2.07 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.96 2h3v h TRP 36 CO 0.10 0.22 -1.37 0.00 -2.79 0.00 0.00 178.44 174.60 2h3v h ALA 37 N 1.69 0.34 -0.12 2.65 0.00 -1.57 -3.07 119.26 119.18 2h3v h ALA 37 Ca 0.28 -1.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 2h3v h ALA 37 Cb 0.51 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2h3v h ALA 37 CO -0.08 1.21 -0.09 0.66 0.00 0.00 0.00 179.25 180.95 2h3v h SER 38 N 0.04 0.17 1.07 0.00 4.64 -1.02 0.25 113.55 118.70 2h3v h SER 38 Ca -0.17 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 60.96 2h3v h SER 38 Cb 1.94 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.96 2h3v h SER 38 CO 0.15 0.29 -0.98 -0.09 -0.87 0.00 0.00 176.83 175.33 2h3v h ARG 39 N 0.18 0.00 0.00 4.77 2.43 -1.40 -3.25 114.38 117.11 2h3v h ARG 39 Ca 0.04 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 2h3v h ARG 39 Cb 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2h3v h ARG 39 CO 0.02 0.55 -0.93 1.49 -1.51 0.00 0.00 179.97 179.58 2h3v h GLU 40 N 0.00 0.00 -0.03 0.20 4.57 -1.29 -3.33 114.58 114.70 2h3v h GLU 40 Ca -0.08 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 2h3v h GLU 40 Cb 1.58 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.17 2h3v h GLU 40 CO 0.08 0.50 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.32 2h3v h LEU 41 N 0.00 0.06 -2.15 1.64 3.38 -0.60 -2.95 115.31 114.70 2h3v h LEU 41 Ca -0.07 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.53 2h3v h LEU 41 Cb 1.53 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2h3v h LEU 41 CO 0.07 0.49 0.27 -0.08 0.09 0.00 0.00 178.44 179.28 2h3v h GLU 42 N -0.37 0.00 0.00 1.13 4.22 -1.01 0.26 114.58 118.81 2h3v h GLU 42 Ca 0.01 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.36 2h3v h GLU 42 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2h3v h GLU 42 CO 0.00 0.00 -0.42 0.00 -2.18 0.00 0.00 179.01 176.42 2h3v h ARG 43 N 0.00 0.00 -0.94 1.92 2.47 -1.62 -2.93 114.38 113.27 2h3v h ARG 43 Ca 0.12 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.50 2h3v h ARG 43 Cb 0.65 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 28.77 2h3v h ARG 43 CO -0.00 0.42 0.44 1.19 0.56 0.00 0.00 179.97 182.57 2h3v n PHE 44 N -3.56 2.33 -1.57 3.04 3.72 0.85 -4.84 117.46 117.42 2h3v n PHE 44 Ca -0.00 -1.41 -0.17 0.00 -0.05 0.00 0.00 57.45 55.82 2h3v n PHE 44 Cb 0.53 -0.75 -0.07 0.00 -0.94 0.00 0.00 39.48 38.26 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 -0.59 -0.28 -3.98 4.37 0.00 -1.11 -4.97 120.51 113.95 2h3v n ALA 45 Ca 0.44 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.81 2h3v n ALA 45 Cb 1.37 -1.78 -0.15 0.00 0.00 0.00 0.00 19.45 18.89 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 2.34 0.48 0.00 1.01 -0.74 -5.00 120.40 115.84 2h3v s VAL 46 Ca 0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.51 2h3v s VAL 46 Cb 0.00 -2.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 2h3v s VAL 46 CO 0.00 0.22 1.34 0.20 0.00 0.00 0.00 175.10 176.86 2h3v s ASN 47 N 1.23 5.80 0.00 3.32 0.01 -1.26 -0.83 114.94 123.21 2h3v s ASN 47 Ca -0.02 2.72 0.14 0.00 -0.71 0.00 0.00 52.86 54.99 2h3v s ASN 47 Cb -0.17 -2.64 0.64 0.00 0.41 0.00 0.00 41.25 39.49 2h3v s ASN 47 CO -0.07 -1.21 1.45 -0.81 -1.51 0.00 0.00 177.10 174.94 2h3v n PRO 48 N -0.46 0.04 0.21 -0.60 -0.04 -1.26 -2.77 135.00 130.12 2h3v n PRO 48 Ca 0.07 0.23 0.15 0.00 -0.04 0.00 0.00 63.50 63.91 2h3v n PRO 48 Cb 0.44 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.05 2h3v n PRO 48 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2h3v h GLY 49 N 2.45 0.00 2.00 0.55 0.00 -1.95 -2.34 103.07 103.78 2h3v h GLY 49 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 2h3v h GLY 49 CO 0.00 0.00 -0.40 1.41 0.00 0.00 0.00 176.54 177.55 2h3v h LEU 50 N 0.00 0.00 -2.08 3.11 3.38 -1.89 -3.09 115.31 114.74 2h3v h LEU 50 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2h3v h LEU 50 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2h3v h LEU 50 CO 0.00 0.40 -0.08 -0.07 0.09 0.00 0.00 178.44 178.77 2h3v h LEU 51 N 0.00 0.00 -3.55 1.67 3.38 -1.65 -1.25 115.31 113.91 2h3v h LEU 51 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2h3v h LEU 51 Cb 1.11 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.74 2h3v h LEU 51 CO 0.05 0.08 0.25 -1.84 0.09 0.00 0.00 178.44 177.08 2h3v n GLU 52 N -3.72 3.57 -3.93 1.13 0.28 -1.17 -4.86 120.64 111.95 2h3v n GLU 52 Ca -0.02 -2.84 -0.22 0.00 -0.16 0.00 0.00 57.16 53.92 2h3v n GLU 52 Cb 0.19 -2.16 -0.17 0.00 1.43 0.00 0.00 31.44 30.73 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 -2.79 0.47 0.61 3.84 -4.23 -0.48 -4.97 115.64 108.10 2h3v s THR 53 Ca 0.51 0.00 0.32 0.00 -1.18 0.00 0.00 61.69 61.34 2h3v s THR 53 Cb 0.41 -0.57 0.37 0.00 1.34 0.00 0.00 72.50 74.04 2h3v s THR 53 CO 0.13 0.25 2.14 0.77 -0.54 0.00 0.00 174.62 177.37 2h3v h SER 54 N 7.86 0.00 0.01 3.99 4.64 -1.85 -1.97 113.55 126.23 2h3v h SER 54 Ca -0.28 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 2h3v h SER 54 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2h3v h SER 54 CO 0.36 0.00 -0.55 -0.08 -0.87 0.00 0.00 176.83 175.68 2h3v h GLU 55 N 0.00 0.03 -0.32 4.77 4.81 -1.95 -3.31 114.58 118.61 2h3v h GLU 55 Ca 0.05 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2h3v h GLU 55 Cb 0.38 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 2h3v h GLU 55 CO -0.00 1.02 -0.07 0.78 -0.73 0.00 0.00 179.01 180.01 2h3v h GLY 56 N -0.91 0.25 0.20 1.92 0.00 -1.57 -1.66 103.07 101.30 2h3v h GLY 56 Ca -0.15 0.09 0.15 0.00 0.00 0.00 0.00 47.33 47.43 2h3v h GLY 56 CO -0.06 -0.11 0.41 0.00 0.00 0.00 0.00 176.54 176.78 2h3v h ARG 58 N 0.59 0.89 -0.07 0.00 2.43 -1.41 -1.74 114.38 115.07 2h3v h ARG 58 Ca 0.46 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.40 2h3v h ARG 58 Cb 0.66 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2h3v h ARG 58 CO -0.37 0.72 -0.32 1.96 -1.51 0.00 0.00 179.97 180.44 2h3v h GLN 59 N 0.88 0.35 -0.83 0.20 1.08 -0.30 -2.75 115.11 113.74 2h3v h GLN 59 Ca 0.21 -0.28 0.07 0.00 -1.45 0.00 0.00 58.65 57.20 2h3v h GLN 59 Cb 0.15 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.58 2h3v h GLN 59 CO -0.02 0.92 0.54 0.82 -0.95 0.00 0.00 178.83 180.13 2h3v h ILE 60 N -0.14 1.03 0.00 2.54 2.04 -0.51 -0.20 117.51 122.27 2h3v h ILE 60 Ca -0.02 -0.30 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 2h3v h ILE 60 Cb 0.97 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2h3v h ILE 60 CO 0.07 0.16 -0.38 -0.07 0.00 0.00 0.00 178.15 177.93 2h3v h LEU 61 N 0.88 0.00 -1.43 1.44 3.38 -1.33 -2.89 115.31 115.36 2h3v h LEU 61 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2h3v h LEU 61 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2h3v h LEU 61 CO -0.13 0.38 0.00 1.23 0.09 0.00 0.00 178.44 180.00 2h3v h GLY 62 N 2.20 0.00 0.59 0.83 0.00 -0.72 0.24 103.07 106.22 2h3v h GLY 62 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2h3v h GLY 62 CO 0.05 0.00 -1.76 -0.18 0.00 0.00 0.00 176.54 174.65 2h3v n GLN 63 N -3.04 0.64 0.02 4.80 7.27 -1.10 -4.23 117.38 121.74 2h3v n GLN 63 Ca 0.01 0.11 -0.00 0.00 0.07 0.00 0.00 57.00 57.18 2h3v n GLN 63 Cb 0.30 -1.69 -0.10 0.00 2.41 0.00 0.00 30.24 31.16 2h3v n GLN 63 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2h3v n LEU 64 N -2.77 0.72 0.13 1.69 4.77 -1.09 -3.78 117.00 116.67 2h3v n LEU 64 Ca -0.15 0.32 -0.14 0.00 -0.03 0.00 0.00 56.01 56.01 2h3v n LEU 64 Cb 0.89 0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 42.00 2h3v n LEU 64 CO 0.44 0.17 0.51 1.56 -1.33 0.00 0.00 177.39 178.74 2h3v h GLN 65 N 0.00 -0.65 0.00 3.23 4.20 -0.69 -0.43 115.11 120.77 2h3v h GLN 65 Ca -0.19 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2h3v h GLN 65 Cb 1.61 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.54 2h3v h GLN 65 CO 0.04 -0.44 0.00 -1.00 -0.67 0.00 0.00 178.83 176.77 2h3v h PRO 66 N -0.68 0.00 -0.69 1.46 0.13 -1.76 -2.69 132.00 127.77 2h3v h PRO 66 Ca -0.02 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.84 2h3v h PRO 66 Cb 0.66 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.62 2h3v h PRO 66 CO -0.20 0.00 0.28 0.43 -0.23 0.00 0.00 178.00 178.28 2h3v n SER 67 N -2.55 3.96 0.14 1.44 7.64 -0.67 -4.47 113.62 119.11 2h3v n SER 67 Ca 0.01 -3.43 -0.24 0.00 1.01 0.00 0.00 58.87 56.23 2h3v n SER 67 Cb 0.25 -0.73 -0.15 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.77 0.80 -0.08 -3.43 3.38 -0.76 -1.81 115.31 115.18 2h3v h LEU 68 Ca 0.34 -0.85 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 2h3v h LEU 68 Cb 2.26 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.75 2h3v h LEU 68 CO 0.72 1.66 -0.20 -0.61 0.09 0.00 0.00 178.44 180.10 2h3v h GLN 69 N 0.15 0.28 -0.83 1.13 5.75 -1.82 -3.18 115.11 116.58 2h3v h GLN 69 Ca -0.24 -0.20 -0.22 0.00 -0.15 0.00 0.00 58.65 57.85 2h3v h GLN 69 Cb 2.13 0.03 -0.13 0.00 1.07 0.00 0.00 27.48 30.58 2h3v h GLN 69 CO 0.27 0.80 0.27 2.41 -2.65 0.00 0.00 178.83 179.93 2h3v n THR 70 N -4.53 2.53 -4.06 2.39 -1.04 -1.26 -4.91 114.28 103.39 2h3v n THR 70 Ca -0.08 -1.35 -0.35 0.00 -2.04 0.00 0.00 64.05 60.24 2h3v n THR 70 Cb 0.42 -0.45 -0.10 0.00 -1.82 0.00 0.00 70.33 68.38 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 -0.75 1.91 1.37 3.41 0.00 -0.68 -5.03 107.32 107.55 2h3v s GLY 71 Ca 0.45 -0.75 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 2h3v s GLY 71 CO 0.11 -0.05 0.96 -1.14 0.00 0.00 0.00 173.10 172.99 2h3v n SER 72 N 3.28 -3.29 -0.18 1.64 3.41 -1.26 -4.62 113.62 112.60 2h3v n SER 72 Ca -0.17 -1.00 0.09 0.00 -0.26 0.00 0.00 58.87 57.53 2h3v n SER 72 Cb 0.53 -1.00 0.40 0.00 -0.26 0.00 0.00 64.21 63.88 2h3v n SER 72 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2h3v h GLU 73 N 0.00 0.62 -0.61 4.33 4.11 -1.99 -1.38 114.58 119.67 2h3v h GLU 73 Ca -0.40 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 58.97 2h3v h GLU 73 Cb 1.29 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 2h3v h GLU 73 CO 0.25 0.41 0.29 0.93 0.07 0.00 0.00 179.01 180.97 2h3v h GLU 74 N 0.64 0.88 -0.31 1.06 3.07 -2.00 -1.95 114.58 115.97 2h3v h GLU 74 Ca 0.34 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2h3v h GLU 74 Cb 0.46 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2h3v h GLU 74 CO -0.12 0.70 0.15 1.25 -1.40 0.00 0.00 179.01 179.59 2h3v h LEU 75 N 0.83 0.41 -0.17 1.33 6.46 -1.57 -2.04 115.31 120.56 2h3v h LEU 75 Ca 0.21 -0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 2h3v h LEU 75 Cb 0.12 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 39.91 2h3v h LEU 75 CO -0.03 0.42 -0.00 -0.09 -0.62 0.00 0.00 178.44 178.12 2h3v h ARG 76 N 0.36 0.05 -0.99 1.25 1.12 -1.25 -1.61 114.38 113.31 2h3v h ARG 76 Ca 0.11 -0.00 0.07 0.00 -1.11 0.00 0.00 59.98 59.04 2h3v h ARG 76 Cb 0.13 -0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.01 2h3v h ARG 76 CO -0.01 0.03 0.64 0.66 -3.11 0.00 0.00 179.97 178.18 2h3v h SER 77 N 0.05 1.01 0.66 -3.80 4.64 -1.23 -2.11 113.55 112.77 2h3v h SER 77 Ca 0.08 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.38 2h3v h SER 77 Cb 0.10 -0.21 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2h3v h SER 77 CO -0.14 0.64 -0.32 -0.07 -0.87 0.00 0.00 176.83 176.08 2h3v h LEU 78 N 1.15 -0.75 -2.00 5.97 -0.00 -0.72 -1.56 115.31 117.39 2h3v h LEU 78 Ca 0.43 0.00 0.22 0.00 -0.00 0.00 0.00 57.88 58.54 2h3v h LEU 78 Cb 0.19 0.19 -0.03 0.00 -0.00 0.00 0.00 40.66 41.01 2h3v h LEU 78 CO -0.17 -0.49 0.56 0.22 -0.00 0.00 0.00 178.44 178.56 2h3v h TYR 79 N -0.96 0.00 0.35 1.13 3.20 -1.05 0.23 116.97 119.87 2h3v h TYR 79 Ca -0.09 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.76 2h3v h TYR 79 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2h3v h TYR 79 CO -0.02 0.00 -0.17 -0.91 -1.64 0.00 0.00 178.16 175.42 2h3v h ASN 80 N 0.00 -0.40 0.16 -2.11 2.35 -0.96 -2.48 115.58 112.14 2h3v h ASN 80 Ca 0.37 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.01 2h3v h ASN 80 Cb 1.48 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.96 2h3v h ASN 80 CO -0.00 0.05 -0.08 0.74 -1.65 0.00 0.00 177.43 176.49 2h3v h THR 81 N -1.04 0.86 -0.22 2.81 2.02 -0.53 -1.99 112.91 114.82 2h3v h THR 81 Ca -0.05 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.10 2h3v h THR 81 Cb 0.48 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2h3v h THR 81 CO 0.08 0.02 0.25 0.40 0.37 0.00 0.00 175.52 176.64 2h3v h ILE 82 N -0.26 0.42 0.22 3.11 2.04 -0.70 -1.46 117.51 120.88 2h3v h ILE 82 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2h3v h ILE 82 Cb 0.20 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2h3v h ILE 82 CO 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 178.08 2h3v h ALA 83 N 1.70 -0.37 -0.96 1.87 0.00 -0.89 -0.97 119.26 119.64 2h3v h ALA 83 Ca 0.10 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.14 2h3v h ALA 83 Cb 0.61 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.43 2h3v h ALA 83 CO -0.00 -0.34 0.61 0.28 0.00 0.00 0.00 179.25 179.80 2h3v h VAL 84 N -0.84 0.70 -0.02 0.00 2.07 -1.11 -0.92 116.25 116.13 2h3v h VAL 84 Ca -0.03 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2h3v h VAL 84 Cb 0.23 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 2h3v h VAL 84 CO 0.05 0.11 -0.04 0.25 0.02 0.00 0.00 177.57 177.96 2h3v h LEU 85 N 0.61 0.07 -0.37 2.57 5.85 -1.37 -3.21 115.31 119.46 2h3v h LEU 85 Ca 0.53 -0.59 0.08 0.00 0.84 0.00 0.00 57.88 58.73 2h3v h LEU 85 Cb 1.02 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 2h3v h LEU 85 CO -0.28 0.64 -0.12 0.22 -0.34 0.00 0.00 178.44 178.57 2h3v h TYR 86 N -0.50 -0.27 -0.80 1.25 3.20 -0.18 0.12 116.97 119.79 2h3v h TYR 86 Ca -0.00 0.04 0.23 0.00 3.14 0.00 0.00 58.73 62.14 2h3v h TYR 86 Cb 0.63 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 2h3v h TYR 86 CO 0.13 -0.19 0.57 0.00 -1.64 0.00 0.00 178.16 177.03 2h3v h VAL 88 N 0.01 1.34 0.00 0.00 2.07 -0.77 -1.42 116.25 117.47 2h3v h VAL 88 Ca 0.38 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2h3v h VAL 88 Cb 1.52 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 2h3v h VAL 88 CO -0.01 0.57 0.00 0.45 0.02 0.00 0.00 177.57 178.60 2h3v h HIS 89 N 0.26 0.00 0.00 1.57 -0.00 -0.38 -3.37 115.15 113.23 2h3v h HIS 89 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2h3v h HIS 89 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 2h3v h HIS 89 CO 0.10 0.00 0.00 1.04 -0.00 0.00 0.00 177.93 179.07 2h3v n GLN 90 N -2.54 0.00 0.00 2.45 6.02 -0.52 -4.76 117.38 118.03 2h3v n GLN 90 Ca 0.02 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2h3v n GLN 90 Cb 0.30 -0.46 0.00 0.00 1.02 0.00 0.00 30.24 31.10 2h3v n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2h3v n ARG 91 N -2.24 0.00 -1.63 -1.09 0.63 -0.60 -5.10 116.66 106.63 2h3v n ARG 91 Ca 0.00 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.44 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 -0.30 0.13 -2.61 5.15 5.41 -0.79 -4.89 119.36 121.45 2h3v n ILE 92 Ca 0.00 -0.03 -0.29 0.00 1.00 0.00 0.00 62.75 63.43 2h3v n ILE 92 Cb 0.00 -1.17 -0.01 0.00 -0.71 0.00 0.00 39.64 37.75 2h3v n ILE 92 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2h3v n ASP 93 N 2.84 5.05 -4.40 4.38 2.03 -1.26 -3.75 116.55 121.44 2h3v n ASP 93 Ca 0.17 -3.72 -0.33 0.00 0.52 0.00 0.00 54.79 51.43 2h3v n ASP 93 Cb 0.24 -0.60 0.12 0.00 -0.72 0.00 0.00 41.12 40.17 2h3v n ASP 93 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2h3v n VAL 94 N -0.37 0.00 -0.05 5.18 0.24 -1.26 -4.95 118.33 117.12 2h3v n VAL 94 Ca 0.38 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.34 62.46 2h3v n VAL 94 Cb 0.50 -0.60 -0.15 0.00 -1.47 0.00 0.00 33.84 32.11 2h3v n VAL 94 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2h3v n LYS 95 N -1.61 0.67 -4.24 7.34 4.81 -1.26 -4.78 118.16 119.09 2h3v n LYS 95 Ca 0.06 -0.03 -0.15 0.00 -0.87 0.00 0.00 58.31 57.33 2h3v n LYS 95 Cb 0.54 -1.57 -0.09 0.00 0.02 0.00 0.00 35.03 33.92 2h3v n LYS 95 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2h3v s ASP 96 N -5.23 0.72 0.20 3.14 -4.77 -1.26 -1.25 116.67 108.22 2h3v s ASP 96 Ca -0.08 -1.49 -0.06 0.00 -3.30 0.00 0.00 52.55 47.61 2h3v s ASP 96 Cb 0.09 0.41 0.14 0.00 -1.09 0.00 0.00 42.92 42.47 2h3v s ASP 96 CO 0.85 -0.89 1.63 0.74 0.70 0.00 0.00 175.17 178.20 2h3v h THR 97 N 2.45 1.27 -0.05 2.11 2.02 -1.36 -3.01 112.91 116.34 2h3v h THR 97 Ca -0.33 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 65.61 2h3v h THR 97 Cb 1.25 1.06 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 2h3v h THR 97 CO 0.49 0.44 -0.15 0.50 0.37 0.00 0.00 175.52 177.17 2h3v h LYS 98 N 0.80 -0.22 -0.93 6.66 1.63 -1.86 -1.81 116.57 120.84 2h3v h LYS 98 Ca 0.12 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.04 2h3v h LYS 98 Cb 0.68 0.05 -0.07 0.00 -0.60 0.00 0.00 32.23 32.29 2h3v h LYS 98 CO 0.05 -0.14 0.60 1.49 -3.45 0.00 0.00 179.45 177.99 2h3v h GLU 99 N -0.22 0.90 -0.02 1.90 4.81 -1.97 0.29 114.58 120.28 2h3v h GLU 99 Ca 0.07 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2h3v h GLU 99 Cb 0.32 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2h3v h GLU 99 CO -0.18 0.60 -0.00 0.00 -0.73 0.00 0.00 179.01 178.69 2h3v h ALA 100 N 1.54 1.96 -0.16 2.92 0.00 -1.20 -1.28 119.26 123.03 2h3v h ALA 100 Ca 0.44 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 55.14 2h3v h ALA 100 Cb 0.42 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2h3v h ALA 100 CO -0.20 0.03 -0.65 -0.07 0.00 0.00 0.00 179.25 178.36 2h3v h LEU 101 N 0.03 0.86 -0.82 0.00 3.38 -0.54 -2.56 115.31 115.66 2h3v h LEU 101 Ca 0.01 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.26 2h3v h LEU 101 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2h3v h LEU 101 CO 0.00 1.33 -0.24 -0.78 0.09 0.00 0.00 178.44 178.84 2h3v h ASP 102 N 0.44 0.62 -0.28 -0.43 1.82 -1.10 0.15 116.42 117.65 2h3v h ASP 102 Ca -0.03 -0.22 -0.05 0.00 -0.39 0.00 0.00 57.03 56.34 2h3v h ASP 102 Cb 1.28 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 41.11 2h3v h ASP 102 CO 0.14 0.85 -0.01 0.11 -1.61 0.00 0.00 179.24 178.71 2h3v h LYS 103 N 0.54 0.50 0.00 0.28 1.79 -1.26 -1.79 116.57 116.63 2h3v h LYS 103 Ca 0.08 -0.17 -0.15 0.00 -2.18 0.00 0.00 60.65 58.23 2h3v h LYS 103 Cb 0.70 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 2h3v h LYS 103 CO 0.05 0.67 -0.72 0.82 -1.08 0.00 0.00 179.45 179.19 2h3v h ILE 104 N 0.28 1.47 -0.22 1.86 2.04 -1.37 -3.02 117.51 118.54 2h3v h ILE 104 Ca 0.08 -2.50 -0.11 0.00 1.00 0.00 0.00 64.86 63.32 2h3v h ILE 104 Cb 0.45 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 2h3v h ILE 104 CO 0.02 0.71 -0.35 -0.08 0.00 0.00 0.00 178.15 178.44 2h3v h GLU 105 N 0.00 0.47 -0.27 2.37 4.81 -0.59 -2.72 114.58 118.65 2h3v h GLU 105 Ca -0.01 -0.21 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 2h3v h GLU 105 Cb 1.31 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 2h3v h GLU 105 CO 0.09 0.76 -0.43 1.49 -0.73 0.00 0.00 179.01 180.19 2h3v h GLU 106 N 0.40 0.77 -0.69 1.92 4.81 -1.29 0.77 114.58 121.26 2h3v h GLU 106 Ca 0.04 -0.47 0.01 0.00 -0.13 0.00 0.00 59.36 58.82 2h3v h GLU 106 Cb 0.80 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.19 2h3v h GLU 106 CO 0.07 1.09 0.45 1.49 -0.73 0.00 0.00 179.01 181.38 2h3v h GLU 107 N 0.51 0.89 0.04 1.92 4.81 -1.44 -0.75 114.58 120.56 2h3v h GLU 107 Ca 0.02 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 58.94 2h3v h GLU 107 Cb 1.03 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 30.22 2h3v h GLU 107 CO 0.10 0.59 -1.08 0.37 -0.73 0.00 0.00 179.01 178.26 2h3v h GLN 108 N 0.92 0.55 -0.46 1.92 5.75 -1.47 -3.24 115.11 119.07 2h3v h GLN 108 Ca 0.26 -0.65 -0.00 0.00 -0.15 0.00 0.00 58.65 58.10 2h3v h GLN 108 Cb -0.08 0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2h3v h GLN 108 CO -0.07 1.26 0.28 -0.97 -2.65 0.00 0.00 178.83 176.68 2h3v h ASN 109 N 0.29 0.55 -0.27 -0.69 -0.73 -0.56 -1.43 115.58 112.74 2h3v h ASN 109 Ca -0.13 -0.03 0.08 0.00 1.87 0.00 0.00 56.30 58.09 2h3v h ASN 109 Cb 1.74 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 40.18 2h3v h ASN 109 CO 0.20 0.43 0.20 0.50 -0.37 0.00 0.00 177.43 178.39 2h3v h LYS 110 N 0.64 0.00 0.00 6.67 1.63 -1.17 0.36 116.57 124.71 2h3v h LYS 110 Ca 0.17 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.81 2h3v h LYS 110 Cb -0.02 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 2h3v h LYS 110 CO -0.03 0.00 -0.74 1.03 -3.45 0.00 0.00 179.45 176.26 2h3v h SER 111 N 0.00 0.00 -1.00 4.20 0.87 -1.39 -3.26 113.55 112.97 2h3v h SER 111 Ca 0.13 0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.78 2h3v h SER 111 Cb 0.53 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.42 2h3v h SER 111 CO -0.00 0.74 0.64 0.50 -0.53 0.00 0.00 176.83 178.18 2h3v h LYS 112 N 0.00 1.05 -0.85 2.24 3.64 -0.84 -0.20 116.57 121.61 2h3v h LYS 112 Ca -0.01 -0.06 0.21 0.00 -1.27 0.00 0.00 60.65 59.52 2h3v h LYS 112 Cb 1.51 -0.24 -0.05 0.00 -0.41 0.00 0.00 32.23 33.04 2h3v h LYS 112 CO 0.10 0.70 0.58 0.87 -2.27 0.00 0.00 179.45 179.42 2h3v h LYS 113 N 1.08 0.21 0.00 1.90 1.57 -1.60 -2.83 116.57 116.91 2h3v h LYS 113 Ca 0.46 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.16 2h3v h LYS 113 Cb 0.31 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2h3v h LYS 113 CO -0.21 0.14 -0.64 0.87 -0.57 0.00 0.00 179.45 179.04 2h3v h LYS 114 N 0.22 0.00 -6.13 3.15 6.56 -1.29 -3.48 116.57 115.59 2h3v h LYS 114 Ca 0.42 0.00 -0.44 0.00 -1.06 0.00 0.00 60.65 59.57 2h3v h LYS 114 Cb 1.32 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 33.01 2h3v h LYS 114 CO -0.10 0.34 -0.76 0.00 -2.06 0.00 0.00 179.45 176.88 2h3v n ALA 115 N -3.42 -1.48 -0.08 3.86 0.00 -0.39 -4.89 120.51 114.12 2h3v n ALA 115 Ca -0.14 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 2h3v n ALA 115 Cb 0.36 -4.06 -0.09 0.00 0.00 0.00 0.00 19.45 15.66 2h3v n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3v n GLN 116 N -4.64 0.88 -0.06 0.00 10.64 -1.26 -4.39 117.38 118.55 2h3v n GLN 116 Ca -0.05 0.06 -0.04 0.00 -1.83 0.00 0.00 57.00 55.14 2h3v n GLN 116 Cb 0.57 -1.34 -0.12 0.00 -0.86 0.00 0.00 30.24 28.49 2h3v n GLN 116 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 2h3v n GLN 117 N -2.83 1.24 -0.95 2.61 6.02 -1.26 -4.41 117.38 117.80 2h3v n GLN 117 Ca -0.27 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 56.56 2h3v n GLN 117 Cb 0.85 -1.40 0.22 0.00 1.02 0.00 0.00 30.24 30.93 2h3v n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h3v n ALA 118 N -2.46 4.65 -2.71 -1.58 0.00 -1.26 -4.16 120.51 112.98 2h3v n ALA 118 Ca -0.20 -2.18 0.01 0.00 0.00 0.00 0.00 53.44 51.07 2h3v n ALA 118 Cb 0.88 -1.29 0.04 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.42 2.57 0.00 0.00 0.00 -1.26 -4.77 120.51 116.63 2h3v n ALA 119 Ca 0.42 -2.66 0.00 0.00 0.00 0.00 0.00 53.44 51.20 2h3v n ALA 119 Cb 1.35 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.28 2.86 0.07 0.00 0.00 -1.26 -4.83 120.51 117.07 2h3v n ALA 120 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.34 2h3v n ALA 120 Cb 0.91 0.36 -0.09 0.00 0.00 0.00 0.00 19.45 20.63 2h3v n ALA 120 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2h3v h ASP 121 N 0.00 0.73 -4.05 0.00 5.19 -1.89 -3.45 116.42 112.95 2h3v h ASP 121 Ca 0.00 -0.62 -0.54 0.00 -0.62 0.00 0.00 57.03 55.26 2h3v h ASP 121 Cb 0.72 -0.23 0.11 0.00 0.18 0.00 0.00 39.33 40.12 2h3v h ASP 121 CO 0.00 1.42 0.55 0.42 -3.12 0.00 0.00 179.24 178.52 2h3v s THR 122 N -3.19 2.42 -0.15 0.35 -4.23 -1.26 -4.99 115.64 104.60 2h3v s THR 122 Ca -0.08 0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.64 2h3v s THR 122 Cb 0.07 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 2h3v s THR 122 CO 0.90 -0.01 -0.15 0.61 -0.54 0.00 0.00 174.62 175.43 2h3v n GLY 123 N 0.63 -0.95 2.68 3.99 0.00 -1.26 -4.90 105.19 105.38 2h3v n GLY 123 Ca 0.10 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.83 3.26 0.76 1.61 -0.87 -1.26 -5.13 114.94 107.49 2h3v s ASN 124 Ca -0.16 -1.10 -0.11 0.00 -1.57 0.00 0.00 52.86 49.92 2h3v s ASN 124 Cb 0.02 -0.58 0.05 0.00 -0.02 0.00 0.00 41.25 40.72 2h3v s ASN 124 CO 0.25 -0.36 1.10 0.21 -2.57 0.00 0.00 177.10 175.72 2h3v s ASN 125 N 1.87 4.84 -0.14 -1.22 3.84 -1.26 -5.06 114.94 117.81 2h3v s ASN 125 Ca 0.04 1.24 -0.06 0.00 0.21 0.00 0.00 52.86 54.29 2h3v s ASN 125 Cb -0.17 -1.99 -0.04 0.00 -0.55 0.00 0.00 41.25 38.50 2h3v s ASN 125 CO -0.18 -1.74 0.07 -0.55 -2.79 0.00 0.00 177.10 171.90 2h3v s SER 126 N -4.08 5.72 -0.35 -4.21 0.15 -1.26 -5.00 113.70 104.68 2h3v s SER 126 Ca 0.60 0.19 0.07 0.00 0.70 0.00 0.00 55.95 57.51 2h3v s SER 126 Cb -0.13 -1.87 0.55 0.00 -1.71 0.00 0.00 66.02 62.86 2h3v s SER 126 CO 0.53 0.28 1.60 1.67 1.20 0.00 0.00 173.24 178.52 2h3v n GLN 127 N 2.81 2.00 -3.29 5.44 7.27 -1.26 -4.76 117.38 125.58 2h3v n GLN 127 Ca -0.18 -3.18 -0.23 0.00 0.07 0.00 0.00 57.00 53.48 2h3v n GLN 127 Cb 0.53 -1.94 -0.08 0.00 2.41 0.00 0.00 30.24 31.16 2h3v n GLN 127 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2h3v s VAL 128 N -3.34 0.12 -0.35 1.69 1.01 -1.26 -5.10 120.40 113.17 2h3v s VAL 128 Ca 0.49 -2.37 -0.15 0.00 0.00 0.00 0.00 61.98 59.95 2h3v s VAL 128 Cb 0.43 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 2h3v s VAL 128 CO 0.03 -1.04 0.34 -0.55 0.00 0.00 0.00 175.10 173.87 2h3v s SER 129 N 0.20 6.15 0.08 3.32 0.15 -1.26 -5.07 113.70 117.28 2h3v s SER 129 Ca 0.32 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.75 2h3v s SER 129 Cb 0.03 -2.18 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2h3v s SER 129 CO -0.17 -0.33 -0.18 -1.10 1.20 0.00 0.00 173.24 172.67 2h3v s GLN 130 N 1.95 1.92 0.47 5.44 1.11 -1.26 -5.12 119.66 124.18 2h3v s GLN 130 Ca 0.10 -1.09 -0.21 0.00 0.01 0.00 0.00 55.36 54.17 2h3v s GLN 130 Cb -0.17 -2.16 -0.08 0.00 -1.01 0.00 0.00 33.01 29.60 2h3v s GLN 130 CO 0.11 0.51 1.08 0.54 0.01 0.00 0.00 175.29 177.54 2h3v s ASN 131 N -1.85 6.28 0.00 5.90 4.22 -1.26 -5.27 114.94 122.96 2h3v s ASN 131 Ca 0.17 2.06 0.19 0.00 -2.14 0.00 0.00 52.86 53.13 2h3v s ASN 131 Cb -0.11 -2.58 1.11 0.00 1.28 0.00 0.00 41.25 40.96 2h3v s ASN 131 CO 0.08 -0.83 1.50 -1.22 -2.04 0.00 0.00 177.10 174.60