#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7h s LEU 2 N 0.00 3.39 0.98 1.34 1.43 -1.26 -4.99 118.68 119.57 2b7h s LEU 2 Ca 0.00 0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 53.25 2b7h s LEU 2 Cb 0.00 -3.01 0.18 0.00 0.03 0.00 0.00 46.19 43.38 2b7h s LEU 2 CO 0.00 -1.75 1.10 -0.94 0.23 0.00 0.00 176.35 174.99 2b7h s SER 3 N 4.60 2.83 0.18 2.29 1.04 -1.26 -4.74 113.70 118.64 2b7h s SER 3 Ca 0.53 1.18 -0.13 0.00 0.48 0.00 0.00 55.95 58.01 2b7h s SER 3 Cb -0.11 -1.84 0.18 0.00 0.10 0.00 0.00 66.02 64.35 2b7h s SER 3 CO 0.24 -3.00 1.73 -0.65 0.98 0.00 0.00 173.24 172.55 2b7h h PRO 4 N -1.80 0.29 -0.59 4.02 0.11 -1.98 0.95 132.00 133.00 2b7h h PRO 4 Ca -0.53 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.60 2b7h h PRO 4 Cb 1.33 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 2b7h h PRO 4 CO 0.58 0.19 0.33 0.00 -0.21 0.00 0.00 178.00 178.89 2b7h h ALA 5 N 1.35 0.78 0.10 -0.75 0.00 -1.97 0.57 119.26 119.33 2b7h h ALA 5 Ca 0.24 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2b7h h ALA 5 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2b7h h ALA 5 CO -0.28 0.01 -0.08 -0.44 0.00 0.00 0.00 179.25 178.46 2b7h h ASP 6 N 0.62 -0.22 -0.50 0.00 3.32 -1.65 0.37 116.42 118.36 2b7h h ASP 6 Ca 0.26 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 2b7h h ASP 6 Cb 0.13 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2b7h h ASP 6 CO -0.16 -0.13 0.22 0.11 -1.72 0.00 0.00 179.24 177.57 2b7h h LYS 7 N -0.19 0.73 -0.55 3.56 1.57 -0.61 0.29 116.57 121.36 2b7h h LYS 7 Ca 0.00 -0.12 0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2b7h h LYS 7 Cb 0.18 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.30 2b7h h LYS 7 CO -0.02 0.62 0.18 1.15 -0.57 0.00 0.00 179.45 180.82 2b7h h THR 8 N 0.66 0.78 -0.59 -0.16 2.02 0.37 0.18 112.91 116.16 2b7h h THR 8 Ca 0.17 -0.12 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 2b7h h THR 8 Cb 0.15 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 2b7h h THR 8 CO -0.02 0.06 -0.02 0.78 0.37 0.00 0.00 175.52 176.70 2b7h h ASN 9 N 0.35 1.04 0.09 4.18 2.35 0.68 0.03 115.58 124.30 2b7h h ASN 9 Ca 0.27 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2b7h h ASN 9 Cb 0.33 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2b7h h ASN 9 CO -0.29 1.10 -0.04 0.40 -1.65 0.00 0.00 177.43 176.94 2b7h h ILE 10 N 0.95 1.11 -0.37 2.81 2.04 -0.05 -1.44 117.51 122.55 2b7h h ILE 10 Ca 0.16 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 2b7h h ILE 10 Cb 0.58 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2b7h h ILE 10 CO 0.03 0.19 0.19 0.11 0.00 0.00 0.00 178.15 178.67 2b7h h LYS 11 N -0.49 0.53 -0.41 2.37 1.57 -0.62 0.24 116.57 119.76 2b7h h LYS 11 Ca -0.01 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2b7h h LYS 11 Cb 0.41 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2b7h h LYS 11 CO 0.02 0.46 -0.04 0.66 -0.57 0.00 0.00 179.45 179.98 2b7h h SER 12 N 0.47 0.65 0.01 0.86 4.64 -1.04 0.35 113.55 119.48 2b7h h SER 12 Ca 0.13 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2b7h h SER 12 Cb 0.10 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2b7h h SER 12 CO -0.02 0.74 -0.00 0.74 -0.87 0.00 0.00 176.83 177.42 2b7h h THR 13 N 0.63 1.20 -0.94 2.95 2.02 -0.78 -1.04 112.91 116.95 2b7h h THR 13 Ca 0.12 -0.64 0.03 0.00 0.77 0.00 0.00 66.41 66.69 2b7h h THR 13 Cb 0.45 1.64 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 2b7h h THR 13 CO 0.02 0.17 0.62 -0.25 0.37 0.00 0.00 175.52 176.45 2b7h h TRP 14 N -0.29 1.17 -1.00 3.16 2.91 -0.06 0.43 115.95 122.28 2b7h h TRP 14 Ca -0.00 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.10 2b7h h TRP 14 Cb 0.28 -0.39 -0.06 0.00 -0.51 0.00 0.00 29.16 28.48 2b7h h TRP 14 CO 0.02 0.70 0.65 -0.44 -1.03 0.00 0.00 178.44 178.33 2b7h h ASP 15 N 1.22 1.05 0.12 2.65 5.19 -0.20 -0.56 116.42 125.90 2b7h h ASP 15 Ca 0.37 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.62 2b7h h ASP 15 Cb -0.05 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.22 2b7h h ASP 15 CO -0.10 0.69 -0.56 0.50 -3.12 0.00 0.00 179.24 176.64 2b7h h LYS 16 N 1.20 0.47 -0.72 3.56 1.63 0.30 -1.97 116.57 121.04 2b7h h LYS 16 Ca 0.42 -0.30 0.07 0.00 -0.85 0.00 0.00 60.65 59.99 2b7h h LYS 16 Cb 0.11 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.71 2b7h h LYS 16 CO -0.15 0.90 0.41 0.82 -3.45 0.00 0.00 179.45 177.98 2b7h h ILE 17 N 0.36 0.96 0.00 2.00 2.04 -0.33 -3.46 117.51 119.08 2b7h h ILE 17 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2b7h h ILE 17 Cb 1.09 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2b7h h ILE 17 CO 0.10 0.13 0.00 0.61 0.00 0.00 0.00 178.15 178.99 2b7h n GLY 18 N -1.30 3.59 0.63 5.37 0.00 -0.28 -1.98 105.19 111.22 2b7h n GLY 18 Ca 0.10 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.28 2b7h n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b7h n GLY 19 N 0.00 0.88 0.67 -0.02 0.00 -1.26 -3.62 105.19 101.85 2b7h n GLY 19 Ca 0.00 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.89 2b7h n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2b7h n HIS 20 N 0.16 0.00 -0.09 1.61 -0.00 -0.84 -4.61 115.22 111.45 2b7h n HIS 20 Ca 0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.73 2b7h n HIS 20 Cb 0.34 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 2b7h n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2b7h h ALA 21 N 4.29 0.37 -0.48 -1.41 0.00 -1.77 -0.52 119.26 119.73 2b7h h ALA 21 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2b7h h ALA 21 Cb 0.81 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 2b7h h ALA 21 CO 0.00 -0.29 0.22 0.78 0.00 0.00 0.00 179.25 179.97 2b7h h GLY 22 N 0.25 0.66 1.08 0.00 0.00 -1.84 0.70 103.07 103.93 2b7h h GLY 22 Ca 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2b7h h GLY 22 CO -0.15 0.08 0.52 -0.55 0.00 0.00 0.00 176.54 176.44 2b7h h ASP 23 N 0.43 1.08 -0.30 0.19 3.32 -1.71 -2.48 116.42 116.96 2b7h h ASP 23 Ca 0.22 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 2b7h h ASP 23 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2b7h h ASP 23 CO -0.18 0.83 -0.21 1.88 -1.72 0.00 0.00 179.24 179.85 2b7h h TYR 24 N 1.23 0.87 -0.23 4.55 0.05 0.43 -0.12 116.97 123.75 2b7h h TYR 24 Ca 0.32 -0.19 0.02 0.00 0.05 0.00 0.00 58.73 58.93 2b7h h TYR 24 Cb -0.03 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.47 2b7h h TYR 24 CO 0.01 0.91 0.09 0.78 -1.05 0.00 0.00 178.16 178.89 2b7h h GLY 25 N 0.97 0.29 0.43 3.88 0.00 -0.51 0.35 103.07 108.47 2b7h h GLY 25 Ca 0.10 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.46 2b7h h GLY 25 CO 0.05 0.04 0.25 -1.33 0.00 0.00 0.00 176.54 175.55 2b7h h GLY 26 N 0.20 0.88 1.10 4.60 0.00 -1.16 -0.48 103.07 108.20 2b7h h GLY 26 Ca 0.10 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 2b7h h GLY 26 CO -0.10 0.00 0.03 -2.09 0.00 0.00 0.00 176.54 174.39 2b7h h GLU 27 N 0.45 1.08 -0.54 4.80 4.81 -0.47 0.50 114.58 125.22 2b7h h GLU 27 Ca 0.31 -0.33 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2b7h h GLU 27 Cb 0.36 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2b7h h GLU 27 CO -0.29 1.04 0.05 0.00 -0.73 0.00 0.00 179.01 179.08 2b7h h ALA 28 N 1.02 1.07 -0.08 2.92 0.00 0.38 0.20 119.26 124.78 2b7h h ALA 28 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2b7h h ALA 28 Cb 0.53 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2b7h h ALA 28 CO 0.03 0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 179.79 2b7h h LEU 29 N 0.83 0.14 -0.44 0.00 3.38 -0.83 -0.65 115.31 117.75 2b7h h LEU 29 Ca 0.17 -0.33 0.09 0.00 0.09 0.00 0.00 57.88 57.89 2b7h h LEU 29 Cb 0.42 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 2b7h h LEU 29 CO 0.01 0.44 -0.06 -0.78 0.09 0.00 0.00 178.44 178.14 2b7h h ASP 30 N -0.16 -0.31 -0.96 -0.43 3.58 -0.50 0.13 116.42 117.77 2b7h h ASP 30 Ca 0.02 0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.61 2b7h h ASP 30 Cb 0.37 0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.61 2b7h h ASP 30 CO 0.01 -0.11 0.64 0.03 -2.88 0.00 0.00 179.24 176.92 2b7h h ARG 31 N 0.04 1.24 -0.32 0.28 3.08 -0.49 -0.70 114.38 117.51 2b7h h ARG 31 Ca 0.21 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 2b7h h ARG 31 Cb 0.32 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2b7h h ARG 31 CO -0.41 0.82 -0.03 1.15 -1.07 0.00 0.00 179.97 180.43 2b7h h THR 32 N 1.28 1.27 -0.39 2.04 2.02 0.11 0.10 112.91 119.34 2b7h h THR 32 Ca 0.36 -1.02 -0.16 0.00 0.77 0.00 0.00 66.41 66.36 2b7h h THR 32 Cb -0.11 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2b7h h THR 32 CO -0.09 0.33 -0.37 -0.26 0.37 0.00 0.00 175.52 175.50 2b7h h PHE 33 N 0.37 1.11 -0.08 3.16 0.04 -0.51 0.44 116.94 121.48 2b7h h PHE 33 Ca 0.09 -0.33 -0.09 0.00 2.80 0.00 0.00 57.97 60.44 2b7h h PHE 33 Cb 0.49 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.41 2b7h h PHE 33 CO 0.04 1.15 -0.30 1.96 -0.60 0.00 0.00 178.31 180.57 2b7h h GLN 34 N 0.77 0.34 -0.03 1.51 4.20 -1.13 -3.06 115.11 117.71 2b7h h GLN 34 Ca 0.07 -0.26 -0.16 0.00 0.06 0.00 0.00 58.65 58.35 2b7h h GLN 34 Cb 0.96 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2b7h h GLN 34 CO 0.09 0.89 -0.71 0.77 -0.67 0.00 0.00 178.83 179.20 2b7h h SER 35 N -0.14 0.19 -2.42 1.46 0.02 -0.68 -3.38 113.55 108.60 2b7h h SER 35 Ca -0.01 -0.13 -0.59 0.00 -0.84 0.00 0.00 61.79 60.22 2b7h h SER 35 Cb 0.93 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.02 2b7h h SER 35 CO 0.06 0.84 -0.88 0.49 -1.14 0.00 0.00 176.83 176.20 2b7h n PHE 36 N -3.76 0.60 0.06 3.45 3.72 0.15 -4.98 117.46 116.71 2b7h n PHE 36 Ca -0.02 -3.67 0.20 0.00 -0.05 0.00 0.00 57.45 53.90 2b7h n PHE 36 Cb 0.69 -0.15 0.73 0.00 -0.94 0.00 0.00 39.48 39.81 2b7h n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2b7h h PRO 37 N 5.06 0.00 -0.07 -1.08 0.11 -1.70 0.20 132.00 134.51 2b7h h PRO 37 Ca 0.19 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.32 2b7h h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2b7h h PRO 37 CO 0.52 0.00 0.08 0.00 -0.21 0.00 0.00 178.00 178.39 2b7h h THR 38 N 0.00 0.54 0.00 -1.15 1.03 -1.90 -0.85 112.91 110.57 2b7h h THR 38 Ca 0.20 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.58 2b7h h THR 38 Cb 0.92 0.94 -0.00 0.00 -1.07 0.00 0.00 68.15 68.93 2b7h h THR 38 CO -0.00 0.00 -0.13 0.71 -0.01 0.00 0.00 175.52 176.08 2b7h h THR 39 N 0.00 0.45 -0.05 0.00 1.35 -0.91 -2.24 112.91 111.52 2b7h h THR 39 Ca 0.03 -0.70 0.01 0.00 -0.55 0.00 0.00 66.41 65.21 2b7h h THR 39 Cb 0.19 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2b7h h THR 39 CO -0.00 0.13 0.06 0.11 -0.25 0.00 0.00 175.52 175.57 2b7h h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.31 -2.81 116.57 118.75 2b7h h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2b7h h LYS 40 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2b7h h LYS 40 CO 0.02 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.15 2b7h n THR 41 N -3.84 0.61 0.92 -0.16 -2.24 -0.84 -0.62 114.28 108.12 2b7h n THR 41 Ca -0.02 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 2b7h n THR 41 Cb 0.15 -0.83 0.39 0.00 -2.10 0.00 0.00 70.33 67.94 2b7h n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2b7h n TYR 42 N -1.42 0.13 -2.79 4.78 4.01 -1.06 -4.12 117.16 116.69 2b7h n TYR 42 Ca 0.06 0.04 -0.25 0.00 -0.16 0.00 0.00 57.90 57.59 2b7h n TYR 42 Cb 0.19 -0.44 -0.02 0.00 -0.31 0.00 0.00 39.34 38.76 2b7h n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2b7h n PHE 43 N -1.62 3.22 0.30 -0.72 3.01 0.21 -4.84 117.46 117.02 2b7h n PHE 43 Ca 0.06 -3.58 0.17 0.00 1.01 0.00 0.00 57.45 55.11 2b7h n PHE 43 Cb 0.36 -0.33 0.72 0.00 -0.01 0.00 0.00 39.48 40.21 2b7h n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2b7h h PRO 44 N 2.84 0.00 0.00 -1.08 0.13 -1.72 -1.73 132.00 130.45 2b7h h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2b7h h PRO 44 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2b7h h PRO 44 CO 0.77 0.00 -0.10 -2.39 -0.23 0.00 0.00 178.00 176.05 2b7h n HIS 45 N -2.99 0.20 -3.44 1.56 1.44 -1.26 -4.81 115.22 105.93 2b7h n HIS 45 Ca 0.00 0.06 -0.38 0.00 -2.01 0.00 0.00 57.72 55.39 2b7h n HIS 45 Cb 0.27 -0.55 -0.06 0.00 0.12 0.00 0.00 29.99 29.77 2b7h n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2b7h s PHE 46 N -3.03 3.73 -0.15 -1.40 0.40 -0.65 -5.04 117.98 111.84 2b7h s PHE 46 Ca 0.13 1.04 -0.29 0.00 -0.60 0.00 0.00 56.93 57.21 2b7h s PHE 46 Cb 0.17 -2.35 -0.02 0.00 0.51 0.00 0.00 43.02 41.33 2b7h s PHE 46 CO 0.58 0.59 1.28 0.34 0.70 0.00 0.00 175.22 178.71 2b7h s ASP 47 N -0.94 6.94 0.00 1.36 2.15 -1.26 -4.88 116.67 120.03 2b7h s ASP 47 Ca 0.25 1.73 0.17 0.00 0.43 0.00 0.00 52.55 55.13 2b7h s ASP 47 Cb -0.17 -2.54 0.35 0.00 -0.30 0.00 0.00 42.92 40.26 2b7h s ASP 47 CO 0.14 -0.76 1.27 0.18 -0.17 0.00 0.00 175.17 175.83 2b7h n LEU 48 N 6.52 3.08 -4.65 -1.34 4.77 -1.26 -4.44 117.00 119.69 2b7h n LEU 48 Ca 0.14 -1.60 -0.31 0.00 -0.03 0.00 0.00 56.01 54.21 2b7h n LEU 48 Cb 0.45 -0.22 0.18 0.00 -2.33 0.00 0.00 43.42 41.50 2b7h n LEU 48 CO 0.56 0.70 0.66 -0.94 -1.33 0.00 0.00 177.39 177.04 2b7h s SER 49 N -1.19 2.63 0.45 -1.43 1.04 -1.26 -4.88 113.70 109.05 2b7h s SER 49 Ca 0.30 2.13 -0.25 0.00 0.48 0.00 0.00 55.95 58.62 2b7h s SER 49 Cb 0.17 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.67 2b7h s SER 49 CO 0.24 -3.28 1.39 -2.65 0.98 0.00 0.00 173.24 169.92 2b7h n PRO 50 N -4.35 2.15 -1.01 4.02 -0.02 -1.26 -2.62 135.00 131.91 2b7h n PRO 50 Ca 0.11 0.77 -0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2b7h n PRO 50 Cb 0.52 -2.58 -0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2b7h n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b7h n GLY 51 N 0.64 0.47 3.71 -1.23 0.00 -1.26 -4.96 105.19 102.56 2b7h n GLY 51 Ca 0.06 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 2b7h n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2b7h s SER 52 N -2.26 6.51 0.25 1.61 0.15 -1.08 -4.88 113.70 114.00 2b7h s SER 52 Ca 0.00 2.68 -0.03 0.00 0.70 0.00 0.00 55.95 59.30 2b7h s SER 52 Cb 0.00 -2.58 0.29 0.00 -1.71 0.00 0.00 66.02 62.02 2b7h s SER 52 CO 0.00 -0.91 1.73 0.00 1.20 0.00 0.00 173.24 175.27 2b7h h ALA 53 N 7.44 1.05 -0.34 5.45 0.00 -1.91 -0.58 119.26 130.36 2b7h h ALA 53 Ca -0.43 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2b7h h ALA 53 Cb 1.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2b7h h ALA 53 CO 0.93 0.59 0.17 1.96 0.00 0.00 0.00 179.25 182.90 2b7h h GLN 54 N 0.74 0.49 -0.24 0.00 4.20 -1.90 0.46 115.11 118.87 2b7h h GLN 54 Ca 0.14 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2b7h h GLN 54 Cb 0.50 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2b7h h GLN 54 CO 0.03 0.44 0.11 0.28 -0.67 0.00 0.00 178.83 179.01 2b7h h VAL 55 N 0.42 1.15 -0.18 -0.54 2.07 -1.72 0.24 116.25 117.69 2b7h h VAL 55 Ca 0.12 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2b7h h VAL 55 Cb 0.11 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2b7h h VAL 55 CO -0.02 0.15 -0.11 0.50 0.02 0.00 0.00 177.57 178.11 2b7h h LYS 56 N 0.25 -0.10 -0.78 1.57 3.64 -0.90 0.67 116.57 120.91 2b7h h LYS 56 Ca 0.08 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2b7h h LYS 56 Cb 0.15 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2b7h h LYS 56 CO -0.01 -0.07 0.43 0.00 -2.27 0.00 0.00 179.45 177.53 2b7h h ALA 57 N 1.04 1.01 -0.05 5.00 0.00 0.25 -2.22 119.26 124.27 2b7h h ALA 57 Ca 0.11 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2b7h h ALA 57 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2b7h h ALA 57 CO -0.25 0.52 -0.59 1.25 0.00 0.00 0.00 179.25 180.17 2b7h h HIS 58 N 1.09 0.21 -0.68 0.00 -0.00 -0.12 -2.86 115.15 112.79 2b7h h HIS 58 Ca 0.28 -0.08 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 2b7h h HIS 58 Cb 0.03 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.37 2b7h h HIS 58 CO 0.00 0.72 0.42 0.78 -0.00 0.00 0.00 177.93 179.85 2b7h h GLY 59 N 1.55 0.98 1.03 5.26 0.00 -0.28 -0.60 103.07 111.01 2b7h h GLY 59 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2b7h h GLY 59 CO 0.09 0.39 0.30 0.50 0.00 0.00 0.00 176.54 177.81 2b7h h LYS 60 N 0.94 1.09 0.01 4.80 1.57 -1.24 0.96 116.57 124.70 2b7h h LYS 60 Ca 0.25 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2b7h h LYS 60 Cb -0.05 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.08 2b7h h LYS 60 CO -0.05 0.89 -0.01 0.87 -0.57 0.00 0.00 179.45 180.59 2b7h h LYS 61 N 1.05 -0.01 -0.42 3.15 1.79 -1.25 0.23 116.57 121.11 2b7h h LYS 61 Ca 0.25 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.74 2b7h h LYS 61 Cb 0.20 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 2b7h h LYS 61 CO -0.02 0.14 0.24 0.28 -1.08 0.00 0.00 179.45 179.01 2b7h h VAL 62 N -0.16 1.03 -0.30 0.50 2.07 -1.05 0.13 116.25 118.47 2b7h h VAL 62 Ca -0.00 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.35 2b7h h VAL 62 Cb 0.16 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2b7h h VAL 62 CO 0.00 0.09 0.19 0.00 0.02 0.00 0.00 177.57 177.87 2b7h h ALA 63 N 1.19 0.38 -0.50 1.67 0.00 -0.68 -0.90 119.26 120.42 2b7h h ALA 63 Ca 0.17 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.14 2b7h h ALA 63 Cb 0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 2b7h h ALA 63 CO -0.08 -0.13 -0.01 -0.44 0.00 0.00 0.00 179.25 178.58 2b7h h ASP 64 N 0.39 -0.23 -0.38 0.00 3.32 -0.32 0.29 116.42 119.48 2b7h h ASP 64 Ca 0.11 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 2b7h h ASP 64 Cb -0.01 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2b7h h ASP 64 CO -0.02 -0.08 0.23 0.00 -1.72 0.00 0.00 179.24 177.65 2b7h h ALA 65 N 1.45 0.48 -0.79 3.45 0.00 -0.47 0.16 119.26 123.54 2b7h h ALA 65 Ca 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2b7h h ALA 65 Cb 0.38 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2b7h h ALA 65 CO -0.43 -0.03 0.49 -0.07 0.00 0.00 0.00 179.25 179.21 2b7h h LEU 66 N 0.50 0.93 -0.47 0.00 3.38 -0.71 0.14 115.31 119.08 2b7h h LEU 66 Ca 0.14 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 2b7h h LEU 66 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2b7h h LEU 66 CO -0.03 0.71 -0.17 0.74 0.09 0.00 0.00 178.44 179.78 2b7h h THR 67 N 1.09 1.27 -0.81 0.22 2.02 0.31 0.64 112.91 117.65 2b7h h THR 67 Ca 0.29 -1.32 0.05 0.00 0.77 0.00 0.00 66.41 66.19 2b7h h THR 67 Cb -0.07 1.13 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 2b7h h THR 67 CO -0.06 0.45 0.53 0.74 0.37 0.00 0.00 175.52 177.56 2b7h h THR 68 N 0.79 1.10 -0.11 3.16 2.02 -0.20 -2.33 112.91 117.34 2b7h h THR 68 Ca 0.11 -0.33 -0.22 0.00 0.77 0.00 0.00 66.41 66.75 2b7h h THR 68 Cb 0.74 0.06 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2b7h h THR 68 CO 0.06 0.17 -0.79 0.00 0.37 0.00 0.00 175.52 175.33 2b7h h ALA 69 N 1.54 0.39 -0.72 6.16 0.00 -0.09 -2.40 119.26 124.14 2b7h h ALA 69 Ca 0.33 -0.61 0.07 0.00 0.00 0.00 0.00 54.91 54.69 2b7h h ALA 69 Cb 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2b7h h ALA 69 CO -0.10 0.71 0.47 0.28 0.00 0.00 0.00 179.25 180.61 2b7h h VAL 70 N 0.44 1.01 0.00 0.00 2.07 -0.68 -0.90 116.25 118.20 2b7h h VAL 70 Ca -0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.21 2b7h h VAL 70 Cb 1.40 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2b7h h VAL 70 CO 0.15 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.88 2b7h n ALA 71 N -2.45 2.30 -2.65 1.67 0.00 -0.90 -3.95 120.51 114.53 2b7h n ALA 71 Ca 0.11 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2b7h n ALA 71 Cb 0.23 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.27 2b7h n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2b7h n HIS 72 N -1.43 1.34 0.16 0.00 8.25 -0.37 -4.93 115.22 118.24 2b7h n HIS 72 Ca 0.09 -2.78 0.02 0.00 -0.26 0.00 0.00 57.72 54.78 2b7h n HIS 72 Cb 0.29 -0.35 0.34 0.00 1.12 0.00 0.00 29.99 31.39 2b7h n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2b7h h LEU 73 N 2.94 0.08 0.00 2.41 3.38 -1.61 -0.38 115.31 122.14 2b7h h LEU 73 Ca -0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2b7h h LEU 73 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2b7h h LEU 73 CO 0.51 0.42 0.00 0.47 0.09 0.00 0.00 178.44 179.93 2b7h n ASP 74 N -4.11 0.00 -2.75 -0.43 9.92 -1.26 -4.13 116.55 113.79 2b7h n ASP 74 Ca -0.02 -1.36 -0.09 0.00 -0.53 0.00 0.00 54.79 52.80 2b7h n ASP 74 Cb 0.40 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.97 2b7h n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2b7h n ASP 75 N -0.82 -2.08 -0.29 -2.24 2.03 -0.20 -4.97 116.55 107.98 2b7h n ASP 75 Ca 0.15 -3.44 -0.02 0.00 0.52 0.00 0.00 54.79 52.00 2b7h n ASP 75 Cb 0.07 1.63 0.10 0.00 -0.72 0.00 0.00 41.12 42.20 2b7h n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2b7h h LEU 76 N 2.82 0.84 -0.59 -2.67 3.38 -1.58 -1.78 115.31 115.74 2b7h h LEU 76 Ca -0.12 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2b7h h LEU 76 Cb 1.13 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.65 2b7h h LEU 76 CO 0.12 0.58 0.31 -0.65 0.09 0.00 0.00 178.44 178.88 2b7h h PRO 77 N 0.99 0.56 -0.23 1.13 0.11 -1.93 -1.26 132.00 131.37 2b7h h PRO 77 Ca 0.32 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.31 2b7h h PRO 77 Cb 0.02 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 2b7h h PRO 77 CO -0.12 0.37 -0.19 0.78 -0.21 0.00 0.00 178.00 178.63 2b7h h GLY 78 N 0.58 0.59 2.00 -0.55 0.00 -1.95 -2.61 103.07 101.14 2b7h h GLY 78 Ca 0.26 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 2b7h h GLY 78 CO -0.18 0.53 -0.28 0.00 0.00 0.00 0.00 176.54 176.61 2b7h h ALA 79 N 0.68 1.36 -0.12 3.60 0.00 -1.18 -2.97 119.26 120.64 2b7h h ALA 79 Ca 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2b7h h ALA 79 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2b7h h ALA 79 CO 0.05 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2b7h n LEU 80 N -3.95 2.86 0.07 0.00 4.77 -0.49 -4.79 117.00 115.47 2b7h n LEU 80 Ca -0.02 -2.83 -0.13 0.00 -0.03 0.00 0.00 56.01 53.01 2b7h n LEU 80 Cb 0.36 -0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 2b7h n LEU 80 CO 0.36 0.67 0.80 0.77 -1.33 0.00 0.00 177.39 178.66 2b7h h SER 81 N 0.77 -0.09 -1.00 -1.43 4.64 -1.29 0.21 113.55 115.36 2b7h h SER 81 Ca 0.00 -0.08 0.12 0.00 -0.47 0.00 0.00 61.79 61.36 2b7h h SER 81 Cb 1.06 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 63.09 2b7h h SER 81 CO 0.07 0.02 0.63 0.00 -0.87 0.00 0.00 176.83 176.68 2b7h h ALA 82 N 0.72 1.53 0.00 5.18 0.00 -1.86 -1.20 119.26 123.63 2b7h h ALA 82 Ca -0.01 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2b7h h ALA 82 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2b7h h ALA 82 CO 0.02 0.22 -0.74 -0.07 0.00 0.00 0.00 179.25 178.68 2b7h h LEU 83 N 0.99 0.00 -0.51 0.00 3.38 -1.57 -0.90 115.31 116.70 2b7h h LEU 83 Ca 0.49 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.32 2b7h h LEU 83 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2b7h h LEU 83 CO -0.26 0.74 -0.34 0.77 0.09 0.00 0.00 178.44 179.44 2b7h h SER 84 N 0.00 0.88 -0.30 -0.43 4.64 0.04 -1.82 113.55 116.56 2b7h h SER 84 Ca -0.01 -0.38 0.03 0.00 -0.47 0.00 0.00 61.79 60.96 2b7h h SER 84 Cb 1.35 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 2b7h h SER 84 CO 0.10 1.14 0.10 0.44 -0.87 0.00 0.00 176.83 177.74 2b7h h ASP 85 N 0.70 0.12 0.06 4.97 5.19 -0.94 -1.37 116.42 125.15 2b7h h ASP 85 Ca 0.07 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 2b7h h ASP 85 Cb 0.90 0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.43 2b7h h ASP 85 CO 0.08 0.10 -0.03 0.25 -3.12 0.00 0.00 179.24 176.52 2b7h h LEU 86 N 0.24 -0.07 -0.35 1.55 5.85 -0.98 0.30 115.31 121.85 2b7h h LEU 86 Ca 0.13 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.56 2b7h h LEU 86 Cb 0.10 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2b7h h LEU 86 CO -0.14 0.06 -0.79 0.45 -0.34 0.00 0.00 178.44 177.68 2b7h h HIS 87 N -0.20 0.50 0.00 1.25 3.86 -1.28 0.46 115.15 119.75 2b7h h HIS 87 Ca -0.01 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 58.93 2b7h h HIS 87 Cb 0.17 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.56 2b7h h HIS 87 CO -0.04 1.01 -0.21 0.00 0.86 0.00 0.00 177.93 179.55 2b7h h ALA 88 N 0.91 0.04 0.19 2.45 0.00 -1.19 0.18 119.26 121.84 2b7h h ALA 88 Ca -0.04 -0.43 -0.27 0.00 0.00 0.00 0.00 54.91 54.17 2b7h h ALA 88 Cb 1.39 0.14 0.03 0.00 0.00 0.00 0.00 17.79 19.35 2b7h h ALA 88 CO 0.13 0.14 -1.20 1.88 0.00 0.00 0.00 179.25 180.20 2b7h h TYR 89 N -1.00 0.72 0.00 0.00 0.05 -0.50 -2.80 116.97 113.44 2b7h h TYR 89 Ca -0.05 -0.53 -0.18 0.00 0.05 0.00 0.00 58.73 58.03 2b7h h TYR 89 Cb 0.67 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.35 2b7h h TYR 89 CO 0.12 1.46 -1.08 -0.22 -1.05 0.00 0.00 178.16 177.39 2b7h h LYS 90 N -0.13 0.00 0.00 4.88 3.64 -1.13 -3.40 116.57 120.43 2b7h h LYS 90 Ca -0.22 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.00 2b7h h LYS 90 Cb 1.89 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.69 2b7h h LYS 90 CO 0.19 0.76 -0.98 -0.07 -2.27 0.00 0.00 179.45 177.08 2b7h h LEU 91 N -1.00 0.00 -1.58 5.20 3.38 -0.24 -3.48 115.31 117.59 2b7h h LEU 91 Ca -0.27 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.25 2b7h h LEU 91 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 2b7h h LEU 91 CO -0.16 0.68 -0.82 0.54 0.09 0.00 0.00 178.44 178.77 2b7h n ARG 92 N -3.14 -4.66 -2.22 1.13 3.00 -0.08 -4.88 116.66 105.82 2b7h n ARG 92 Ca -0.03 0.56 -0.42 0.00 -0.01 0.00 0.00 57.85 57.94 2b7h n ARG 92 Cb 0.84 -5.12 -0.03 0.00 0.00 0.00 0.00 32.46 28.16 2b7h n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2b7h s VAL 93 N -3.63 3.75 0.08 1.55 1.01 -0.44 -4.94 120.40 117.78 2b7h s VAL 93 Ca 0.19 1.09 -0.35 0.00 0.00 0.00 0.00 61.98 62.92 2b7h s VAL 93 Cb -0.10 -3.70 -0.14 0.00 0.00 0.00 0.00 36.38 32.44 2b7h s VAL 93 CO 0.84 -0.02 1.61 -0.67 0.00 0.00 0.00 175.10 176.85 2b7h n ASP 94 N 5.72 2.91 -0.19 3.32 -0.08 -1.26 -4.85 116.55 122.12 2b7h n ASP 94 Ca 0.14 1.07 0.23 0.00 -1.51 0.00 0.00 54.79 54.71 2b7h n ASP 94 Cb 0.44 -1.37 0.62 0.00 2.34 0.00 0.00 41.12 43.15 2b7h n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2b7h h PRO 95 N 6.44 0.19 -1.07 -0.67 0.11 -1.99 0.52 132.00 135.52 2b7h h PRO 95 Ca -0.46 -0.01 0.29 0.00 0.11 0.00 0.00 66.00 65.93 2b7h h PRO 95 Cb 1.27 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.23 2b7h h PRO 95 CO 0.89 0.12 0.68 0.28 -0.21 0.00 0.00 178.00 179.76 2b7h h VAL 96 N 0.19 0.46 0.00 3.15 2.07 -2.03 -2.46 116.25 117.63 2b7h h VAL 96 Ca 0.43 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.80 2b7h h VAL 96 Cb 1.37 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2b7h h VAL 96 CO -0.09 0.07 -0.10 0.78 0.02 0.00 0.00 177.57 178.25 2b7h h ASN 97 N 0.37 0.00 -0.44 0.57 2.35 -1.25 -2.83 115.58 114.36 2b7h h ASN 97 Ca 0.64 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 56.28 2b7h h ASN 97 Cb 1.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.98 2b7h h ASN 97 CO -0.36 0.10 -0.16 -0.26 -1.65 0.00 0.00 177.43 175.10 2b7h h PHE 98 N 0.00 1.00 -0.86 1.19 0.04 -1.59 -1.38 116.94 115.34 2b7h h PHE 98 Ca -0.00 -0.24 0.14 0.00 2.80 0.00 0.00 57.97 60.67 2b7h h PHE 98 Cb 0.75 -0.24 -0.09 0.00 2.20 0.00 0.00 35.95 38.58 2b7h h PHE 98 CO 0.00 1.01 0.46 0.87 -0.60 0.00 0.00 178.31 180.05 2b7h h LYS 99 N 0.71 0.66 0.16 1.51 1.57 -1.60 0.34 116.57 119.92 2b7h h LYS 99 Ca 0.10 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2b7h h LYS 99 Cb 0.72 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2b7h h LYS 99 CO 0.05 0.44 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.23 2b7h h LEU 100 N 0.68 -0.18 -0.56 2.94 3.38 -1.39 0.24 115.31 120.43 2b7h h LEU 100 Ca 0.46 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.15 2b7h h LEU 100 Cb 0.60 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2b7h h LEU 100 CO -0.34 0.24 0.33 0.25 0.09 0.00 0.00 178.44 179.02 2b7h h LEU 101 N -0.63 0.54 -0.17 1.67 5.85 -1.23 -1.43 115.31 119.90 2b7h h LEU 101 Ca -0.02 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.73 2b7h h LEU 101 Cb 0.47 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2b7h h LEU 101 CO 0.04 0.38 0.01 0.28 -0.34 0.00 0.00 178.44 178.80 2b7h h SER 102 N 0.66 -0.03 -0.50 1.25 0.02 -0.17 0.18 113.55 114.95 2b7h h SER 102 Ca 0.23 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.31 2b7h h SER 102 Cb 0.03 0.05 -0.10 0.00 0.14 0.00 0.00 62.40 62.53 2b7h h SER 102 CO -0.10 0.01 -0.16 -0.74 -1.14 0.00 0.00 176.83 174.69 2b7h h HIS 103 N 0.08 -0.38 0.00 3.45 -0.00 -0.36 -1.11 115.15 116.83 2b7h h HIS 103 Ca 0.08 0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 2b7h h HIS 103 Cb 0.09 0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2b7h h HIS 103 CO -0.15 -0.25 -0.28 0.00 -0.00 0.00 0.00 177.93 177.25 2b7h h LEU 105 N 0.00 0.77 -0.12 0.00 3.38 -0.34 0.17 115.31 119.17 2b7h h LEU 105 Ca -0.00 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 2b7h h LEU 105 Cb 0.73 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2b7h h LEU 105 CO 0.04 1.06 0.06 -0.07 0.09 0.00 0.00 178.44 179.62 2b7h h LEU 106 N 0.48 0.15 -0.47 1.67 3.38 -0.47 -1.36 115.31 118.70 2b7h h LEU 106 Ca 0.05 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.01 2b7h h LEU 106 Cb 0.83 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 2b7h h LEU 106 CO 0.07 0.21 0.01 0.58 0.09 0.00 0.00 178.44 179.40 2b7h h VAL 107 N 0.08 0.65 -0.42 1.22 2.07 -1.05 0.80 116.25 119.61 2b7h h VAL 107 Ca 0.04 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2b7h h VAL 107 Cb 0.09 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 2b7h h VAL 107 CO -0.01 0.02 0.15 0.74 0.02 0.00 0.00 177.57 178.50 2b7h h THR 108 N 0.12 0.88 -0.64 2.57 2.02 -0.78 0.51 112.91 117.59 2b7h h THR 108 Ca 0.23 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.25 2b7h h THR 108 Cb 0.34 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 2b7h h THR 108 CO -0.38 0.06 0.20 -0.07 0.37 0.00 0.00 175.52 175.70 2b7h h LEU 109 N 0.32 0.94 -1.11 2.58 3.38 -0.79 -2.51 115.31 118.11 2b7h h LEU 109 Ca 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2b7h h LEU 109 Cb 0.17 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2b7h h LEU 109 CO -0.19 0.91 0.24 0.00 0.09 0.00 0.00 178.44 179.49 2b7h h ALA 110 N 1.07 1.30 -0.28 1.53 0.00 -0.05 0.37 119.26 123.21 2b7h h ALA 110 Ca 0.21 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2b7h h ALA 110 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2b7h h ALA 110 CO -0.01 0.52 -0.09 0.00 0.00 0.00 0.00 179.25 179.68 2b7h n HIS 112 N -4.24 0.00 -3.19 0.00 -0.00 -0.96 -4.71 115.22 102.11 2b7h n HIS 112 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.49 2b7h n HIS 112 Cb 0.29 -0.64 -0.06 0.00 -0.00 0.00 0.00 29.99 29.58 2b7h n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2b7h n HIS 113 N -2.39 1.45 -0.34 4.41 -0.00 0.13 -4.93 115.22 113.54 2b7h n HIS 113 Ca -0.14 -3.84 0.06 0.00 -0.00 0.00 0.00 57.72 53.80 2b7h n HIS 113 Cb 0.75 -0.44 0.22 0.00 -0.00 0.00 0.00 29.99 30.53 2b7h n HIS 113 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2b7h h PRO 114 N 3.56 0.88 -0.45 -0.41 0.13 -1.77 -1.76 132.00 132.18 2b7h h PRO 114 Ca 0.12 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 2b7h h PRO 114 Cb 0.79 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.70 2b7h h PRO 114 CO 0.62 0.58 0.07 1.15 -0.23 0.00 0.00 178.00 180.19 2b7h h THR 115 N 0.90 1.24 0.00 1.56 2.02 -1.92 -2.53 112.91 114.19 2b7h h THR 115 Ca 0.47 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 2b7h h THR 115 Cb 0.49 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2b7h h THR 115 CO -0.27 0.31 -0.16 -0.33 0.37 0.00 0.00 175.52 175.44 2b7h h GLU 116 N 0.60 0.00 -2.53 6.66 3.07 -1.86 -3.37 114.58 117.15 2b7h h GLU 116 Ca 0.14 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.34 2b7h h GLU 116 Cb 0.38 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.18 2b7h h GLU 116 CO 0.01 0.16 2.11 0.34 -1.40 0.00 0.00 179.01 180.24 2b7h n PHE 117 N -3.34 2.23 -1.44 4.33 7.35 -0.70 -4.62 117.46 121.27 2b7h n PHE 117 Ca 0.00 -2.63 -0.30 0.00 -0.76 0.00 0.00 57.45 53.76 2b7h n PHE 117 Cb 0.39 -1.84 0.09 0.00 0.35 0.00 0.00 39.48 38.46 2b7h n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2b7h s THR 118 N -0.69 3.25 0.23 -2.13 -4.23 -1.26 -4.70 115.64 106.09 2b7h s THR 118 Ca 0.58 0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 61.42 2b7h s THR 118 Cb 0.23 -3.05 0.20 0.00 1.34 0.00 0.00 72.50 71.21 2b7h s THR 118 CO -0.11 -0.53 1.70 -0.65 -0.54 0.00 0.00 174.62 174.49 2b7h h PRO 119 N -1.11 0.26 -0.70 3.99 0.11 -1.98 0.22 132.00 132.79 2b7h h PRO 119 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2b7h h PRO 119 Cb 1.25 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2b7h h PRO 119 CO 0.56 0.17 0.44 0.00 -0.21 0.00 0.00 178.00 178.97 2b7h h ALA 120 N 1.54 0.89 -0.21 -0.75 0.00 -1.95 0.08 119.26 118.86 2b7h h ALA 120 Ca 0.36 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2b7h h ALA 120 Cb 0.57 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2b7h h ALA 120 CO -0.45 0.33 -0.32 0.28 0.00 0.00 0.00 179.25 179.10 2b7h h VAL 121 N 0.95 1.33 -0.56 0.00 2.07 -1.72 -1.45 116.25 116.87 2b7h h VAL 121 Ca 0.25 -1.53 0.10 0.00 0.82 0.00 0.00 66.70 66.34 2b7h h VAL 121 Cb -0.07 1.80 -0.11 0.00 -1.52 0.00 0.00 31.29 31.39 2b7h h VAL 121 CO -0.05 0.47 -0.35 -0.74 0.02 0.00 0.00 177.57 176.93 2b7h h HIS 122 N 0.27 -0.96 -0.34 1.57 6.17 -0.37 0.23 115.15 121.72 2b7h h HIS 122 Ca 0.02 0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.17 2b7h h HIS 122 Cb 0.90 0.50 -0.02 0.00 2.52 0.00 0.00 27.41 31.32 2b7h h HIS 122 CO 0.09 -0.39 0.22 0.00 0.71 0.00 0.00 177.93 178.56 2b7h h ALA 123 N 0.92 0.43 -0.89 5.26 0.00 -0.90 0.19 119.26 124.27 2b7h h ALA 123 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2b7h h ALA 123 Cb 0.55 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2b7h h ALA 123 CO -0.66 -0.11 0.52 0.77 0.00 0.00 0.00 179.25 179.77 2b7h h SER 124 N 0.46 1.07 -0.37 0.00 0.02 -0.92 0.03 113.55 113.84 2b7h h SER 124 Ca 0.12 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 2b7h h SER 124 Cb -0.05 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 2b7h h SER 124 CO -0.03 0.83 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.33 2b7h h LEU 125 N 1.22 0.73 -0.10 5.07 3.38 -0.37 0.95 115.31 126.21 2b7h h LEU 125 Ca 0.32 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2b7h h LEU 125 Cb -0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2b7h h LEU 125 CO -0.06 0.93 -0.16 -0.78 0.09 0.00 0.00 178.44 178.47 2b7h h ASP 126 N 0.53 -0.49 -0.74 -0.43 3.58 -0.45 0.12 116.42 118.55 2b7h h ASP 126 Ca 0.09 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.71 2b7h h ASP 126 Cb 0.61 0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.82 2b7h h ASP 126 CO 0.04 -0.21 0.40 0.11 -2.88 0.00 0.00 179.24 176.70 2b7h h LYS 127 N -0.21 0.68 0.51 0.28 1.57 -0.81 0.64 116.57 119.23 2b7h h LYS 127 Ca 0.08 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2b7h h LYS 127 Cb 0.33 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.50 2b7h h LYS 127 CO -0.22 0.45 -0.25 0.35 -0.57 0.00 0.00 179.45 179.21 2b7h h PHE 128 N 0.70 -0.64 -0.65 -1.35 3.57 -0.01 0.11 116.94 118.67 2b7h h PHE 128 Ca 0.35 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 2b7h h PHE 128 Cb 0.31 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 2b7h h PHE 128 CO -0.08 -0.39 0.35 0.74 -2.23 0.00 0.00 178.31 176.70 2b7h h PHE 129 N -0.69 0.89 -0.56 0.41 0.04 -0.49 -0.25 116.94 116.29 2b7h h PHE 129 Ca -0.07 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.61 2b7h h PHE 129 Cb 0.53 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 2b7h h PHE 129 CO -0.04 0.62 0.05 1.15 -0.60 0.00 0.00 178.31 179.49 2b7h h THR 130 N 0.91 1.25 -0.52 -1.55 2.02 -0.72 -0.46 112.91 113.85 2b7h h THR 130 Ca 0.23 -1.02 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 2b7h h THR 130 Cb 0.03 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 2b7h h THR 130 CO -0.04 0.37 -0.15 0.00 0.37 0.00 0.00 175.52 176.08 2b7h h ALA 131 N 1.18 0.72 -0.52 6.16 0.00 0.09 -0.76 119.26 126.13 2b7h h ALA 131 Ca 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2b7h h ALA 131 Cb 0.45 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2b7h h ALA 131 CO 0.02 0.66 0.25 0.28 0.00 0.00 0.00 179.25 180.46 2b7h h VAL 132 N 0.88 1.19 -0.45 0.00 2.07 -0.92 -2.47 116.25 116.55 2b7h h VAL 132 Ca 0.13 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2b7h h VAL 132 Cb 0.72 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2b7h h VAL 132 CO 0.06 0.22 0.28 0.28 0.02 0.00 0.00 177.57 178.42 2b7h h SER 133 N 0.69 0.54 -0.50 0.57 0.02 -0.91 0.41 113.55 114.37 2b7h h SER 133 Ca 0.18 -0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 2b7h h SER 133 Cb 0.11 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 2b7h h SER 133 CO -0.02 0.44 0.18 0.74 -1.14 0.00 0.00 176.83 177.02 2b7h h THR 134 N 0.60 0.83 -0.25 -2.27 2.02 -1.04 0.36 112.91 113.16 2b7h h THR 134 Ca 0.16 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 2b7h h THR 134 Cb -0.01 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2b7h h THR 134 CO -0.03 0.07 0.02 0.58 0.37 0.00 0.00 175.52 176.53 2b7h h VAL 135 N 0.36 1.24 0.00 3.16 2.07 -1.12 0.58 116.25 122.54 2b7h h VAL 135 Ca 0.24 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2b7h h VAL 135 Cb 0.26 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2b7h h VAL 135 CO -0.25 0.26 0.00 0.18 0.02 0.00 0.00 177.57 177.79 2b7h n LEU 136 N -4.66 0.05 -0.31 2.57 4.77 0.11 -0.87 117.00 118.66 2b7h n LEU 136 Ca -0.03 0.52 0.04 0.00 -0.03 0.00 0.00 56.01 56.50 2b7h n LEU 136 Cb 0.22 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.85 2b7h n LEU 136 CO 0.37 -0.34 0.42 0.35 -1.33 0.00 0.00 177.39 176.86 2b7h n THR 137 N -1.56 0.26 0.27 -5.08 -2.24 0.04 -4.14 114.28 101.82 2b7h n THR 137 Ca 0.03 -0.63 0.14 0.00 -2.27 0.00 0.00 64.05 61.31 2b7h n THR 137 Cb 0.13 0.98 0.66 0.00 -2.10 0.00 0.00 70.33 70.01 2b7h n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2b7h h SER 138 N 1.36 0.00 -0.07 3.42 4.64 0.11 -0.43 113.55 122.58 2b7h h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2b7h h SER 138 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2b7h h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 2b7h n LYS 139 N -2.46 1.36 0.02 4.77 4.76 -1.26 -2.23 118.16 123.12 2b7h n LYS 139 Ca -0.00 -0.54 0.12 0.00 -2.87 0.00 0.00 58.31 55.01 2b7h n LYS 139 Cb 0.13 -1.36 0.16 0.00 -1.84 0.00 0.00 35.03 32.12 2b7h n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2b7h n TYR 140 N -0.25 0.21 -0.07 2.13 4.01 -0.17 -4.95 117.16 118.06 2b7h n TYR 140 Ca 0.16 0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 2b7h n TYR 140 Cb 0.20 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.84 2b7h n TYR 140 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29