#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b7h s LEU 3 N 0.00 4.40 0.68 2.39 1.02 -1.26 -5.09 118.68 120.82 2b7h s LEU 3 Ca 0.00 1.59 -0.11 0.00 0.02 0.00 0.00 54.13 55.63 2b7h s LEU 3 Cb 0.00 -3.64 -0.00 0.00 0.02 0.00 0.00 46.19 42.56 2b7h s LEU 3 CO 0.00 0.04 1.05 0.42 0.02 0.00 0.00 176.35 177.89 2b7h s THR 4 N -1.47 4.18 0.19 5.49 -4.23 -1.26 -4.82 115.64 113.73 2b7h s THR 4 Ca 0.43 0.71 -0.14 0.00 -1.18 0.00 0.00 61.69 61.51 2b7h s THR 4 Cb -0.19 -3.52 0.17 0.00 1.34 0.00 0.00 72.50 70.30 2b7h s THR 4 CO 0.23 -0.92 1.66 0.00 -0.54 0.00 0.00 174.62 175.04 2b7h h ALA 5 N -0.62 0.42 -0.49 3.99 0.00 -1.98 0.46 119.26 121.03 2b7h h ALA 5 Ca -0.44 0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.74 2b7h h ALA 5 Cb 1.21 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 2b7h h ALA 5 CO 0.58 -0.42 0.11 1.49 0.00 0.00 0.00 179.25 181.01 2b7h h GLU 6 N 0.04 0.25 -0.45 0.00 4.57 -1.99 -1.22 114.58 115.78 2b7h h GLU 6 Ca 0.26 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.38 2b7h h GLU 6 Cb 0.41 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 2b7h h GLU 6 CO -0.51 0.16 0.08 0.93 -1.18 0.00 0.00 179.01 178.49 2b7h h GLU 7 N 0.25 0.68 -0.13 1.92 5.08 -1.50 0.25 114.58 121.14 2b7h h GLU 7 Ca 0.24 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2b7h h GLU 7 Cb 0.31 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2b7h h GLU 7 CO -0.30 0.64 0.09 0.87 -1.00 0.00 0.00 179.01 179.30 2b7h h LYS 8 N 0.66 0.17 0.00 2.33 1.79 0.98 -1.25 116.57 121.25 2b7h h LYS 8 Ca 0.15 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.50 2b7h h LYS 8 Cb 0.29 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2b7h h LYS 8 CO 0.00 0.11 -0.52 0.66 -1.08 0.00 0.00 179.45 178.62 2b7h h SER 9 N 0.17 0.00 0.15 0.86 4.64 -0.94 0.13 113.55 118.57 2b7h h SER 9 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2b7h h SER 9 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2b7h h SER 9 CO -0.01 0.52 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.33 2b7h h LEU 10 N 0.00 -0.17 0.47 5.97 3.38 -0.76 0.48 115.31 124.67 2b7h h LEU 10 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2b7h h LEU 10 Cb 1.07 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2b7h h LEU 10 CO 0.07 -0.10 -0.24 0.58 0.09 0.00 0.00 178.44 178.84 2b7h h VAL 11 N -0.24 0.50 -0.39 1.22 2.07 -1.03 -2.55 116.25 115.84 2b7h h VAL 11 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 2b7h h VAL 11 Cb 0.18 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2b7h h VAL 11 CO 0.03 0.00 0.18 0.28 0.02 0.00 0.00 177.57 178.08 2b7h h SER 12 N -0.65 0.51 -0.73 0.57 0.02 -0.73 0.18 113.55 112.73 2b7h h SER 12 Ca -0.06 -0.14 0.09 0.00 -0.84 0.00 0.00 61.79 60.84 2b7h h SER 12 Cb 0.51 -0.13 -0.11 0.00 0.14 0.00 0.00 62.40 62.81 2b7h h SER 12 CO 0.09 0.51 -0.50 1.23 -1.14 0.00 0.00 176.83 177.02 2b7h h GLY 13 N 0.48 -0.61 0.87 -3.77 0.00 -0.06 -1.47 103.07 98.51 2b7h h GLY 13 Ca 0.13 0.66 -0.11 0.00 0.00 0.00 0.00 47.33 48.01 2b7h h GLY 13 CO -0.01 -0.09 -0.31 1.41 0.00 0.00 0.00 176.54 177.54 2b7h h LEU 14 N -0.16 0.60 -1.00 3.11 3.38 -1.05 -3.27 115.31 116.92 2b7h h LEU 14 Ca 0.17 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.74 2b7h h LEU 14 Cb 0.53 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 2b7h h LEU 14 CO -0.79 1.01 0.63 -0.25 0.09 0.00 0.00 178.44 179.13 2b7h h TRP 15 N 0.21 1.14 -0.09 1.13 2.91 -0.36 0.19 115.95 121.07 2b7h h TRP 15 Ca 0.02 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.10 2b7h h TRP 15 Cb 0.89 -0.36 -0.00 0.00 -0.51 0.00 0.00 29.16 29.17 2b7h h TRP 15 CO 0.09 0.44 0.14 0.00 -1.03 0.00 0.00 178.44 178.08 2b7h h ALA 16 N 1.54 1.56 -0.01 2.65 0.00 -1.32 0.51 119.26 124.18 2b7h h ALA 16 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 2b7h h ALA 16 Cb 0.50 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2b7h h ALA 16 CO -0.27 -0.18 -0.21 1.63 0.00 0.00 0.00 179.25 180.21 2b7h n LYS 17 N -3.59 1.34 -2.08 0.00 5.02 0.64 -4.94 118.16 114.53 2b7h n LYS 17 Ca -0.01 -0.93 -0.42 0.00 -2.02 0.00 0.00 58.31 54.93 2b7h n LYS 17 Cb 0.23 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 2b7h n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2b7h s VAL 18 N -2.31 3.00 -0.75 -0.18 1.01 0.17 -4.92 120.40 116.41 2b7h s VAL 18 Ca 0.27 0.74 -0.26 0.00 0.00 0.00 0.00 61.98 62.73 2b7h s VAL 18 Cb 0.19 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2b7h s VAL 18 CO 0.46 0.07 1.56 0.21 0.00 0.00 0.00 175.10 177.40 2b7h s ASN 19 N 0.93 5.81 0.59 3.32 3.84 -1.26 -4.83 114.94 123.33 2b7h s ASN 19 Ca 0.65 -0.35 0.37 0.00 0.21 0.00 0.00 52.86 53.73 2b7h s ASN 19 Cb -0.40 -2.55 1.71 0.00 -0.55 0.00 0.00 41.25 39.46 2b7h s ASN 19 CO 0.33 -2.07 2.11 1.62 -2.79 0.00 0.00 177.10 176.31 2b7h h VAL 20 N 6.54 0.04 0.00 -5.21 3.04 -1.95 0.36 116.25 119.08 2b7h h VAL 20 Ca -0.17 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2b7h h VAL 20 Cb 1.08 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 2b7h h VAL 20 CO 1.27 0.01 -0.34 0.44 -1.01 0.00 0.00 177.57 177.94 2b7h h ASP 21 N 0.00 0.00 0.00 3.17 3.32 -1.97 -3.41 116.42 117.53 2b7h h ASP 21 Ca -0.00 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 2b7h h ASP 21 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2b7h h ASP 21 CO 0.00 0.00 -1.50 -0.62 -1.72 0.00 0.00 179.24 175.40 2b7h n GLU 22 N -2.93 0.21 -0.27 3.56 -0.58 -0.59 -4.73 120.64 115.31 2b7h n GLU 22 Ca 0.03 0.06 -0.05 0.00 -0.42 0.00 0.00 57.16 56.77 2b7h n GLU 22 Cb 0.53 -1.11 0.06 0.00 -0.57 0.00 0.00 31.44 30.36 2b7h n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2b7h h VAL 23 N -0.07 1.22 -0.30 2.62 2.07 -1.20 -1.09 116.25 119.50 2b7h h VAL 23 Ca -0.20 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2b7h h VAL 23 Cb 1.28 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2b7h h VAL 23 CO -0.05 0.24 0.20 1.23 0.02 0.00 0.00 177.57 179.21 2b7h h GLY 24 N 1.02 0.43 1.40 2.17 0.00 -1.82 -0.98 103.07 105.29 2b7h h GLY 24 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 2b7h h GLY 24 CO -0.04 0.16 0.32 -1.33 0.00 0.00 0.00 176.54 175.64 2b7h h GLY 25 N 0.41 0.84 0.96 4.60 0.00 -1.55 -0.21 103.07 108.12 2b7h h GLY 25 Ca 0.11 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 2b7h h GLY 25 CO -0.02 0.35 -0.21 0.83 0.00 0.00 0.00 176.54 177.49 2b7h h GLU 26 N 0.80 0.70 -0.30 4.80 5.08 -0.69 0.16 114.58 125.13 2b7h h GLU 26 Ca 0.20 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2b7h h GLU 26 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2b7h h GLU 26 CO -0.03 0.94 0.03 0.00 -1.00 0.00 0.00 179.01 178.95 2b7h h ALA 27 N 0.75 0.40 -0.30 3.43 0.00 -0.95 0.08 119.26 122.66 2b7h h ALA 27 Ca 0.06 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2b7h h ALA 27 Cb 0.76 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2b7h h ALA 27 CO 0.06 0.11 0.01 1.25 0.00 0.00 0.00 179.25 180.68 2b7h h LEU 28 N 0.31 0.51 -0.36 0.00 5.85 -0.99 0.11 115.31 120.74 2b7h h LEU 28 Ca 0.09 -0.30 0.05 0.00 0.84 0.00 0.00 57.88 58.57 2b7h h LEU 28 Cb 0.37 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2b7h h LEU 28 CO 0.01 0.68 0.06 1.23 -0.34 0.00 0.00 178.44 180.08 2b7h h GLY 29 N 0.33 0.41 1.03 3.75 0.00 -0.59 -0.91 103.07 107.09 2b7h h GLY 29 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 2b7h h GLY 29 CO 0.01 -0.03 0.26 3.21 0.00 0.00 0.00 176.54 179.99 2b7h h ARG 30 N 0.18 1.07 -0.24 4.80 3.08 -0.81 -0.12 114.38 122.34 2b7h h ARG 30 Ca 0.17 -0.21 0.06 0.00 0.07 0.00 0.00 59.98 60.07 2b7h h ARG 30 Cb 0.20 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 2b7h h ARG 30 CO -0.23 0.90 -0.12 1.25 -1.07 0.00 0.00 179.97 180.69 2b7h h LEU 31 N 1.02 -0.40 -1.75 3.04 5.85 -0.60 0.46 115.31 122.92 2b7h h LEU 31 Ca 0.23 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.03 2b7h h LEU 31 Cb 0.24 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2b7h h LEU 31 CO -0.02 -0.16 -0.07 -0.07 -0.34 0.00 0.00 178.44 177.79 2b7h h LEU 32 N -0.09 0.07 0.13 2.25 3.38 -0.56 0.76 115.31 121.25 2b7h h LEU 32 Ca 0.13 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.85 2b7h h LEU 32 Cb 0.29 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.03 2b7h h LEU 32 CO -0.30 0.15 -1.17 0.40 0.09 0.00 0.00 178.44 177.61 2b7h h ILE 33 N 0.07 1.24 0.01 1.22 2.04 -0.30 -3.32 117.51 118.47 2b7h h ILE 33 Ca 0.02 -2.47 -0.22 0.00 1.00 0.00 0.00 64.86 63.18 2b7h h ILE 33 Cb 0.17 2.93 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 2b7h h ILE 33 CO 0.01 0.71 -1.07 0.58 0.00 0.00 0.00 178.15 178.38 2b7h h VAL 34 N -0.31 1.64 -2.65 1.67 2.07 0.12 -3.36 116.25 115.43 2b7h h VAL 34 Ca -0.23 -3.35 -0.60 0.00 0.82 0.00 0.00 66.70 63.33 2b7h h VAL 34 Cb 1.73 2.82 -0.41 0.00 -1.52 0.00 0.00 31.29 33.92 2b7h h VAL 34 CO 0.11 0.94 -0.73 -1.22 0.02 0.00 0.00 177.57 176.68 2b7h n TYR 35 N -3.34 1.90 0.33 1.57 4.01 0.24 -5.00 117.16 116.87 2b7h n TYR 35 Ca -0.02 -3.96 0.21 0.00 -0.16 0.00 0.00 57.90 53.98 2b7h n TYR 35 Cb 0.95 -0.36 1.14 0.00 -0.31 0.00 0.00 39.34 40.77 2b7h n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2b7h h PRO 36 N 5.12 0.00 0.00 -0.72 0.11 -1.72 0.19 132.00 134.97 2b7h h PRO 36 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2b7h h PRO 36 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2b7h h PRO 36 CO 0.62 0.00 -0.04 0.11 -0.21 0.00 0.00 178.00 178.49 2b7h h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.92 -1.73 115.95 113.03 2b7h h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2b7h h TRP 37 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.26 2b7h h TRP 37 CO 0.00 0.04 0.00 1.79 0.09 0.00 0.00 178.44 180.36 2b7h h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.27 -1.96 112.91 111.15 2b7h h THR 38 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2b7h h THR 38 Cb 0.15 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 2b7h h THR 38 CO 0.01 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.84 2b7h h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.51 -2.90 115.11 119.62 2b7h h GLN 39 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2b7h h GLN 39 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 2b7h h GLN 39 CO 0.00 0.00 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.01 2b7h h ARG 40 N 0.00 0.00 -0.00 1.46 2.43 -1.56 -0.76 114.38 115.95 2b7h h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2b7h h ARG 40 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2b7h h ARG 40 CO 0.00 0.06 -0.04 1.19 -1.51 0.00 0.00 179.97 179.67 2b7h n PHE 41 N -4.37 0.00 -2.23 2.20 3.72 -1.10 -4.20 117.46 111.49 2b7h n PHE 41 Ca -0.03 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 2b7h n PHE 41 Cb 0.14 -0.15 0.06 0.00 -0.94 0.00 0.00 39.48 38.59 2b7h n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2b7h n PHE 42 N -1.00 1.51 0.23 1.38 3.72 -0.29 -4.77 117.46 118.23 2b7h n PHE 42 Ca 0.17 -1.86 0.06 0.00 -0.05 0.00 0.00 57.45 55.77 2b7h n PHE 42 Cb 0.22 -0.27 0.53 0.00 -0.94 0.00 0.00 39.48 39.02 2b7h n PHE 42 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2b7h h ASP 43 N 1.94 0.00 0.00 4.37 3.32 -1.73 -2.11 116.42 122.21 2b7h h ASP 43 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2b7h h ASP 43 Cb 1.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2b7h h ASP 43 CO 0.38 0.20 0.00 -1.54 -1.72 0.00 0.00 179.24 176.56 2b7h n SER 44 N -4.14 0.00 -0.36 6.45 3.41 -1.26 -3.76 113.62 113.96 2b7h n SER 44 Ca -0.02 -0.85 0.12 0.00 -0.26 0.00 0.00 58.87 57.86 2b7h n SER 44 Cb 0.27 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.46 2b7h n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2b7h n PHE 45 N -0.97 0.00 -4.11 7.33 3.01 -0.79 -5.05 117.46 116.88 2b7h n PHE 45 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.64 2b7h n PHE 45 Cb 0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 2b7h n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2b7h n GLY 46 N 1.36 -0.27 3.65 1.37 0.00 -1.25 -4.73 105.19 105.33 2b7h n GLY 46 Ca 0.11 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 2b7h n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2b7h s ASP 47 N -4.00 6.45 -0.08 1.61 -1.08 -1.26 -4.83 116.67 113.47 2b7h s ASP 47 Ca 0.00 2.36 0.12 0.00 -0.52 0.00 0.00 52.55 54.51 2b7h s ASP 47 Cb 0.00 -2.53 0.19 0.00 -1.46 0.00 0.00 42.92 39.12 2b7h s ASP 47 CO 0.00 -1.09 1.08 0.18 0.52 0.00 0.00 175.17 175.86 2b7h n LEU 48 N 7.79 1.75 0.13 -1.34 4.77 -1.26 -4.26 117.00 124.58 2b7h n LEU 48 Ca 0.20 -2.44 0.13 0.00 -0.03 0.00 0.00 56.01 53.87 2b7h n LEU 48 Cb 0.42 -0.28 0.45 0.00 -2.33 0.00 0.00 43.42 41.68 2b7h n LEU 48 CO 0.65 0.57 0.88 0.77 -1.33 0.00 0.00 177.39 178.93 2b7h h SER 49 N 0.00 0.00 -4.93 -1.43 4.64 -1.91 -3.41 113.55 106.51 2b7h h SER 49 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2b7h h SER 49 Cb 1.02 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.96 2b7h h SER 49 CO 0.00 0.00 -0.69 0.42 -0.87 0.00 0.00 176.83 175.69 2b7h s THR 50 N -3.23 0.44 0.27 2.95 -4.23 -1.26 -5.02 115.64 105.56 2b7h s THR 50 Ca 0.07 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 2b7h s THR 50 Cb 0.11 -1.53 0.26 0.00 1.34 0.00 0.00 72.50 72.67 2b7h s THR 50 CO 0.51 -0.91 1.72 -0.65 -0.54 0.00 0.00 174.62 174.75 2b7h h PRO 51 N 3.15 0.46 -0.52 3.99 0.11 -1.99 -0.00 132.00 137.21 2b7h h PRO 51 Ca -0.35 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 2b7h h PRO 51 Cb 1.16 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2b7h h PRO 51 CO 0.64 0.30 -0.06 -0.44 -0.21 0.00 0.00 178.00 178.23 2b7h h ASP 52 N 0.47 0.91 -0.01 -2.05 5.19 -1.96 0.19 116.42 119.17 2b7h h ASP 52 Ca 0.49 -0.27 -0.16 0.00 -0.62 0.00 0.00 57.03 56.48 2b7h h ASP 52 Cb 0.83 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 2b7h h ASP 52 CO -0.45 1.00 -0.52 0.77 -3.12 0.00 0.00 179.24 176.92 2b7h h SER 53 N 0.84 0.64 -0.08 6.45 4.64 -1.79 0.79 113.55 125.04 2b7h h SER 53 Ca 0.14 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 61.14 2b7h h SER 53 Cb 0.58 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2b7h h SER 53 CO 0.04 1.05 0.01 0.58 -0.87 0.00 0.00 176.83 177.63 2b7h h VAL 54 N 0.45 0.96 0.00 0.95 2.07 -0.55 0.03 116.25 120.16 2b7h h VAL 54 Ca 0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2b7h h VAL 54 Cb 1.07 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2b7h h VAL 54 CO 0.10 0.01 0.00 0.23 0.02 0.00 0.00 177.57 177.93 2b7h n MET 55 N -5.09 0.22 -0.20 1.57 2.00 0.64 -1.91 117.12 114.34 2b7h n MET 55 Ca -0.05 0.30 0.08 0.00 0.00 0.00 0.00 57.70 58.02 2b7h n MET 55 Cb 0.05 -1.82 0.19 0.00 0.00 0.00 0.00 33.22 31.64 2b7h n MET 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2b7h n SER 56 N -2.21 3.12 -4.62 7.83 3.41 0.26 -4.96 113.62 116.44 2b7h n SER 56 Ca 0.04 -1.94 -0.43 0.00 -0.26 0.00 0.00 58.87 56.28 2b7h n SER 56 Cb 0.34 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 2b7h n SER 56 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2b7h s ASN 57 N -1.04 6.58 0.36 4.04 3.84 -0.03 -4.87 114.94 123.81 2b7h s ASN 57 Ca 0.30 0.95 0.08 0.00 0.21 0.00 0.00 52.86 54.40 2b7h s ASN 57 Cb 0.16 -2.54 0.79 0.00 -0.55 0.00 0.00 41.25 39.11 2b7h s ASN 57 CO 0.21 -1.21 1.91 0.00 -2.79 0.00 0.00 177.10 175.22 2b7h h ALA 58 N 9.64 1.79 -0.01 1.71 0.00 -1.89 -2.03 119.26 128.47 2b7h h ALA 58 Ca -0.26 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.44 2b7h h ALA 58 Cb 1.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2b7h h ALA 58 CO 1.07 0.02 -0.91 -0.22 0.00 0.00 0.00 179.25 179.21 2b7h h LYS 59 N 0.71 0.38 -0.97 0.00 3.64 -1.89 -0.36 116.57 118.07 2b7h h LYS 59 Ca 0.39 -0.40 0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2b7h h LYS 59 Cb 0.53 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 32.40 2b7h h LYS 59 CO -0.16 1.07 0.63 0.28 -2.27 0.00 0.00 179.45 179.00 2b7h h VAL 60 N 0.22 1.07 -0.17 2.00 2.07 -1.78 0.29 116.25 119.96 2b7h h VAL 60 Ca -0.07 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 2b7h h VAL 60 Cb 1.54 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2b7h h VAL 60 CO 0.15 0.20 -0.09 0.50 0.02 0.00 0.00 177.57 178.36 2b7h h LYS 61 N 1.12 0.35 -0.40 1.57 3.64 -0.94 0.88 116.57 122.79 2b7h h LYS 61 Ca 0.42 -0.16 -0.15 0.00 -1.27 0.00 0.00 60.65 59.50 2b7h h LYS 61 Cb 0.19 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2b7h h LYS 61 CO -0.17 0.67 -0.34 0.00 -2.27 0.00 0.00 179.45 177.35 2b7h h ALA 62 N 0.67 0.58 -0.13 5.00 0.00 -0.73 -1.89 119.26 122.77 2b7h h ALA 62 Ca 0.04 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 2b7h h ALA 62 Cb 0.57 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.24 2b7h h ALA 62 CO 0.03 0.66 -0.79 1.25 0.00 0.00 0.00 179.25 180.39 2b7h h HIS 63 N 0.76 0.97 -0.36 0.00 -0.00 -0.47 -2.14 115.15 113.92 2b7h h HIS 63 Ca 0.07 -0.44 0.10 0.00 -0.00 0.00 0.00 60.37 60.11 2b7h h HIS 63 Cb 0.93 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.18 2b7h h HIS 63 CO 0.06 1.26 0.27 0.78 -0.00 0.00 0.00 177.93 180.30 2b7h h GLY 64 N 0.70 0.00 1.54 5.26 0.00 -0.72 0.25 103.07 110.10 2b7h h GLY 64 Ca -0.05 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 2b7h h GLY 64 CO 0.16 0.00 -0.71 1.70 0.00 0.00 0.00 176.54 177.69 2b7h h LYS 65 N 0.00 0.46 -0.44 4.80 3.64 -0.69 -0.39 116.57 123.95 2b7h h LYS 65 Ca 0.17 -0.36 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 2b7h h LYS 65 Cb 0.70 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 2b7h h LYS 65 CO -0.00 0.99 0.05 0.87 -2.27 0.00 0.00 179.45 179.09 2b7h h LYS 66 N 0.32 0.74 -0.60 1.90 1.57 -0.67 -0.34 116.57 119.49 2b7h h LYS 66 Ca -0.03 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2b7h h LYS 66 Cb 1.28 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 2b7h h LYS 66 CO 0.13 0.78 0.37 0.28 -0.57 0.00 0.00 179.45 180.43 2b7h h VAL 67 N 0.59 1.08 -0.02 0.50 2.07 -1.00 -0.41 116.25 119.05 2b7h h VAL 67 Ca 0.13 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2b7h h VAL 67 Cb 0.41 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2b7h h VAL 67 CO 0.01 0.13 0.01 0.25 0.02 0.00 0.00 177.57 178.00 2b7h h LEU 68 N 0.73 0.03 -1.09 2.57 5.85 -0.88 -0.31 115.31 122.21 2b7h h LEU 68 Ca 0.24 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.91 2b7h h LEU 68 Cb 0.01 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.95 2b7h h LEU 68 CO -0.09 0.18 0.62 0.78 -0.34 0.00 0.00 178.44 179.58 2b7h h ASN 69 N -0.12 0.88 -0.64 1.25 2.35 -0.84 0.34 115.58 118.80 2b7h h ASN 69 Ca 0.01 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2b7h h ASN 69 Cb 0.15 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2b7h h ASN 69 CO -0.00 0.49 0.33 -1.28 -1.65 0.00 0.00 177.43 175.32 2b7h h SER 70 N 0.96 0.83 -0.28 5.81 0.87 -0.67 0.30 113.55 121.36 2b7h h SER 70 Ca 0.46 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.92 2b7h h SER 70 Cb 0.46 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 2b7h h SER 70 CO -0.23 0.71 0.14 -0.26 -0.53 0.00 0.00 176.83 176.67 2b7h h PHE 71 N 0.88 0.27 -0.77 2.24 0.04 0.18 -1.15 116.94 118.63 2b7h h PHE 71 Ca 0.22 0.01 0.11 0.00 2.80 0.00 0.00 57.97 61.12 2b7h h PHE 71 Cb 0.09 -0.08 -0.08 0.00 2.20 0.00 0.00 35.95 38.08 2b7h h PHE 71 CO -0.00 0.15 0.39 0.77 -0.60 0.00 0.00 178.31 179.02 2b7h h SER 72 N 0.30 0.49 -0.47 2.17 0.02 -0.29 0.36 113.55 116.14 2b7h h SER 72 Ca 0.11 0.07 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 2b7h h SER 72 Cb 0.03 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.47 2b7h h SER 72 CO -0.07 0.26 -0.03 0.44 -1.14 0.00 0.00 176.83 176.28 2b7h h ASP 73 N 0.62 -0.27 -0.84 3.07 3.32 0.04 -1.32 116.42 121.05 2b7h h ASP 73 Ca 0.39 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.55 2b7h h ASP 73 Cb 0.46 0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 2b7h h ASP 73 CO -0.30 -0.09 0.47 1.23 -1.72 0.00 0.00 179.24 178.82 2b7h h GLY 74 N 0.08 1.25 2.00 2.75 0.00 0.67 -2.27 103.07 107.55 2b7h h GLY 74 Ca 0.23 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 2b7h h GLY 74 CO -0.42 0.54 -0.14 1.41 0.00 0.00 0.00 176.54 177.92 2b7h h LEU 75 N 1.17 0.00 -0.36 3.11 3.38 0.57 -2.17 115.31 121.01 2b7h h LEU 75 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2b7h h LEU 75 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2b7h h LEU 75 CO -0.05 0.14 -0.30 0.29 0.09 0.00 0.00 178.44 178.62 2b7h n LYS 76 N -3.49 0.64 -2.43 1.13 5.02 -0.60 -4.20 118.16 114.22 2b7h n LYS 76 Ca -0.01 -0.36 -0.02 0.00 -2.02 0.00 0.00 58.31 55.89 2b7h n LYS 76 Cb 0.30 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.86 2b7h n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2b7h n ASN 77 N -0.86 1.90 0.26 4.39 4.13 -0.87 -4.92 115.26 119.29 2b7h n ASN 77 Ca 0.11 -2.30 0.18 0.00 1.68 0.00 0.00 54.58 54.25 2b7h n ASN 77 Cb 0.34 -0.43 0.91 0.00 -1.54 0.00 0.00 39.78 39.06 2b7h n ASN 77 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 2b7h h LEU 78 N 2.23 0.00 -0.42 3.41 3.38 -1.58 0.32 115.31 122.65 2b7h h LEU 78 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2b7h h LEU 78 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 2b7h h LEU 78 CO 0.23 0.00 -0.06 0.47 0.09 0.00 0.00 178.44 179.17 2b7h n ASP 79 N -3.43 0.71 -2.94 -0.43 8.00 -1.26 -4.37 116.55 112.84 2b7h n ASP 79 Ca -0.00 -0.98 -0.13 0.00 0.71 0.00 0.00 54.79 54.39 2b7h n ASP 79 Cb 0.29 -0.02 0.03 0.00 -0.02 0.00 0.00 41.12 41.40 2b7h n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2b7h n ASN 80 N -0.60 -1.04 0.10 -2.24 4.05 0.11 -4.95 115.26 110.68 2b7h n ASN 80 Ca 0.18 -3.33 -0.02 0.00 0.45 0.00 0.00 54.58 51.86 2b7h n ASN 80 Cb 0.27 0.78 0.24 0.00 1.23 0.00 0.00 39.78 42.30 2b7h n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 2b7h h LEU 81 N 3.18 0.25 0.42 1.20 3.38 -1.70 -2.39 115.31 119.65 2b7h h LEU 81 Ca -0.02 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2b7h h LEU 81 Cb 1.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2b7h h LEU 81 CO 0.31 0.62 -0.34 0.11 0.09 0.00 0.00 178.44 179.23 2b7h h LYS 82 N 0.20 -0.73 -0.19 1.13 1.57 -1.90 0.90 116.57 117.56 2b7h h LYS 82 Ca 0.02 0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2b7h h LYS 82 Cb 0.78 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2b7h h LYS 82 CO 0.06 -0.48 0.10 0.78 -0.57 0.00 0.00 179.45 179.34 2b7h h GLY 83 N -0.75 0.28 0.51 3.86 0.00 -1.96 -0.12 103.07 104.89 2b7h h GLY 83 Ca -0.04 -0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.23 2b7h h GLY 83 CO -0.01 0.13 0.21 -0.84 0.00 0.00 0.00 176.54 176.02 2b7h h THR 84 N 0.20 0.83 -0.43 4.70 2.02 -1.34 -2.92 112.91 115.96 2b7h h THR 84 Ca 0.07 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2b7h h THR 84 Cb 0.08 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2b7h h THR 84 CO -0.01 0.07 0.00 0.49 0.37 0.00 0.00 175.52 176.44 2b7h n PHE 85 N -4.98 0.56 -0.03 3.16 3.72 0.30 -4.63 117.46 115.56 2b7h n PHE 85 Ca 0.06 -0.28 -0.09 0.00 -0.05 0.00 0.00 57.45 57.09 2b7h n PHE 85 Cb 0.21 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 2b7h n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2b7h h ALA 86 N 4.30 0.16 -0.14 4.37 0.00 -0.81 0.35 119.26 127.48 2b7h h ALA 86 Ca 0.00 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 2b7h h ALA 86 Cb 0.84 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2b7h h ALA 86 CO 0.00 -0.44 -0.48 0.87 0.00 0.00 0.00 179.25 179.20 2b7h h LYS 87 N 0.06 0.37 0.00 0.00 1.79 -1.82 -1.35 116.57 115.61 2b7h h LYS 87 Ca 0.09 -0.20 -0.11 0.00 -2.18 0.00 0.00 60.65 58.25 2b7h h LYS 87 Cb 0.10 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 2b7h h LYS 87 CO -0.14 0.77 -0.50 -0.07 -1.08 0.00 0.00 179.45 178.42 2b7h h LEU 88 N 0.29 0.00 -0.17 2.94 3.38 -1.78 0.16 115.31 120.13 2b7h h LEU 88 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2b7h h LEU 88 Cb 0.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2b7h h LEU 88 CO 0.08 0.50 0.01 -1.28 0.09 0.00 0.00 178.44 177.84 2b7h h SER 89 N 0.00 0.28 -0.45 -0.43 0.87 0.12 0.27 113.55 114.22 2b7h h SER 89 Ca -0.01 -0.29 -0.12 0.00 -1.23 0.00 0.00 61.79 60.14 2b7h h SER 89 Cb 0.96 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.83 2b7h h SER 89 CO 0.07 0.51 -0.18 1.05 -0.53 0.00 0.00 176.83 177.74 2b7h h GLU 90 N 0.05 0.95 -0.21 2.24 4.11 -1.01 -0.79 114.58 119.91 2b7h h GLU 90 Ca 0.05 -0.38 0.06 0.00 0.07 0.00 0.00 59.36 59.16 2b7h h GLU 90 Cb 0.35 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 2b7h h GLU 90 CO 0.01 1.04 -0.24 1.25 0.07 0.00 0.00 179.01 181.14 2b7h h LEU 91 N 0.83 -0.76 -0.37 3.06 5.85 -0.59 0.34 115.31 123.68 2b7h h LEU 91 Ca 0.12 0.13 -0.18 0.00 0.84 0.00 0.00 57.88 58.78 2b7h h LEU 91 Cb 0.74 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 2b7h h LEU 91 CO 0.06 -0.28 -0.63 0.45 -0.34 0.00 0.00 178.44 177.70 2b7h h HIS 92 N -0.26 0.85 0.03 1.25 3.86 -0.80 0.10 115.15 120.18 2b7h h HIS 92 Ca 0.13 -0.33 -0.12 0.00 -1.16 0.00 0.00 60.37 58.88 2b7h h HIS 92 Cb 0.45 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2b7h h HIS 92 CO -0.38 1.11 -0.62 0.00 0.86 0.00 0.00 177.93 178.90 2b7h n ASP 94 N -4.42 1.05 -0.11 0.00 8.00 0.12 -3.22 116.55 117.97 2b7h n ASP 94 Ca -0.19 0.34 -0.24 0.00 0.71 0.00 0.00 54.79 55.41 2b7h n ASP 94 Cb 0.63 -0.13 -0.11 0.00 -0.02 0.00 0.00 41.12 41.48 2b7h n ASP 94 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2b7h n LYS 95 N -3.10 0.63 0.07 -1.24 4.81 -0.72 -4.66 118.16 113.94 2b7h n LYS 95 Ca -0.21 0.29 0.02 0.00 -0.87 0.00 0.00 58.31 57.54 2b7h n LYS 95 Cb 1.06 -1.58 -0.05 0.00 0.02 0.00 0.00 35.03 34.48 2b7h n LYS 95 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2b7h h LEU 96 N -0.57 0.00 -1.31 3.14 3.38 -1.01 -3.48 115.31 115.46 2b7h h LEU 96 Ca -0.57 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 56.98 2b7h h LEU 96 Cb 1.70 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.50 2b7h h LEU 96 CO -0.22 0.48 -0.77 1.41 0.09 0.00 0.00 178.44 179.43 2b7h n HIS 97 N -2.93 -2.27 -2.98 1.13 8.25 0.18 -4.96 115.22 111.64 2b7h n HIS 97 Ca -0.06 0.91 -0.41 0.00 -0.26 0.00 0.00 57.72 57.90 2b7h n HIS 97 Cb 0.78 -4.46 -0.05 0.00 1.12 0.00 0.00 29.99 27.38 2b7h n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2b7h s VAL 98 N -3.44 4.93 0.21 1.59 1.01 -0.58 -5.01 120.40 119.11 2b7h s VAL 98 Ca 0.35 1.45 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 2b7h s VAL 98 Cb -0.17 -4.06 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 2b7h s VAL 98 CO 0.79 0.04 1.45 -0.62 0.00 0.00 0.00 175.10 176.77 2b7h s ASP 99 N 1.20 6.67 0.52 3.32 -1.08 -1.26 -4.65 116.67 121.39 2b7h s ASP 99 Ca 0.34 2.60 0.23 0.00 -0.52 0.00 0.00 52.55 55.20 2b7h s ASP 99 Cb -0.16 -2.61 1.34 0.00 -1.46 0.00 0.00 42.92 40.03 2b7h s ASP 99 CO 0.11 -0.71 2.02 -0.65 0.52 0.00 0.00 175.17 176.46 2b7h h PRO 100 N 5.60 0.04 -1.10 4.34 0.11 -1.97 -0.19 132.00 138.83 2b7h h PRO 100 Ca -0.45 -0.00 0.30 0.00 0.11 0.00 0.00 66.00 65.96 2b7h h PRO 100 Cb 1.21 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.23 2b7h h PRO 100 CO 0.81 0.03 0.74 1.49 -0.21 0.00 0.00 178.00 180.86 2b7h h GLU 101 N 0.04 0.23 0.00 1.05 4.57 -1.98 0.24 114.58 118.74 2b7h h GLU 101 Ca 0.21 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.31 2b7h h GLU 101 Cb 0.79 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2b7h h GLU 101 CO -0.01 0.15 -0.35 -0.91 -1.18 0.00 0.00 179.01 176.72 2b7h h ASN 102 N 0.24 0.00 -0.46 1.04 4.21 -1.39 -2.30 115.58 116.92 2b7h h ASN 102 Ca 0.59 0.00 0.02 0.00 1.21 0.00 0.00 56.30 58.12 2b7h h ASN 102 Cb 1.81 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.98 2b7h h ASN 102 CO -0.21 0.35 0.28 -0.26 -1.29 0.00 0.00 177.43 176.30 2b7h h PHE 103 N 0.00 0.52 -0.33 1.19 0.04 -1.08 -0.04 116.94 117.24 2b7h h PHE 103 Ca -0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 2b7h h PHE 103 Cb 0.75 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 2b7h h PHE 103 CO 0.00 0.30 0.20 0.87 -0.60 0.00 0.00 178.31 179.08 2b7h h LYS 104 N 0.56 0.44 -0.83 1.51 1.57 -1.42 0.10 116.57 118.51 2b7h h LYS 104 Ca 0.18 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2b7h h LYS 104 Cb 0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2b7h h LYS 104 CO -0.08 0.34 0.54 -0.07 -0.57 0.00 0.00 179.45 179.61 2b7h h LEU 105 N 0.42 0.96 -0.54 2.94 3.38 -1.19 0.12 115.31 121.39 2b7h h LEU 105 Ca 0.12 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2b7h h LEU 105 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2b7h h LEU 105 CO -0.02 0.71 -0.13 0.25 0.09 0.00 0.00 178.44 179.34 2b7h h LEU 106 N 1.12 1.04 -0.31 1.67 5.85 -0.67 0.83 115.31 124.85 2b7h h LEU 106 Ca 0.30 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2b7h h LEU 106 Cb -0.11 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.60 2b7h h LEU 106 CO -0.06 1.16 0.08 1.23 -0.34 0.00 0.00 178.44 180.51 2b7h h GLY 107 N 0.91 0.37 1.68 3.75 0.00 -0.03 0.11 103.07 109.87 2b7h h GLY 107 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 2b7h h GLY 107 CO 0.05 -0.00 -0.37 3.43 0.00 0.00 0.00 176.54 179.66 2b7h h ASN 108 N 0.20 0.37 -0.55 0.19 -0.26 -0.48 -1.10 115.58 113.95 2b7h h ASN 108 Ca 0.14 -0.15 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 2b7h h ASN 108 Cb 0.14 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 2b7h h ASN 108 CO -0.18 0.71 -0.07 0.58 -1.06 0.00 0.00 177.43 177.41 2b7h h VAL 109 N 0.31 1.27 -0.73 2.81 2.07 -0.50 -0.57 116.25 120.91 2b7h h VAL 109 Ca 0.03 -1.23 0.10 0.00 0.82 0.00 0.00 66.70 66.42 2b7h h VAL 109 Cb 0.79 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 2b7h h VAL 109 CO 0.06 0.44 0.37 0.25 0.02 0.00 0.00 177.57 178.71 2b7h h LEU 110 N 0.91 0.48 -0.28 2.57 5.85 -0.01 0.66 115.31 125.49 2b7h h LEU 110 Ca 0.15 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2b7h h LEU 110 Cb 0.64 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2b7h h LEU 110 CO 0.04 0.27 0.16 0.58 -0.34 0.00 0.00 178.44 179.15 2b7h h VAL 111 N 0.62 1.12 -0.77 1.05 2.07 -0.80 0.36 116.25 119.90 2b7h h VAL 111 Ca 0.36 -0.31 0.12 0.00 0.82 0.00 0.00 66.70 67.69 2b7h h VAL 111 Cb 0.39 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 2b7h h VAL 111 CO -0.27 0.12 0.38 0.00 0.02 0.00 0.00 177.57 177.81 2b7h h VAL 113 N 0.59 1.27 -0.39 0.00 2.07 0.17 0.23 116.25 120.20 2b7h h VAL 113 Ca 0.40 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2b7h h VAL 113 Cb 0.50 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2b7h h VAL 113 CO -0.32 0.46 0.06 -0.07 0.02 0.00 0.00 177.57 177.72 2b7h h LEU 114 N 0.67 0.62 -0.49 2.57 3.38 -0.41 0.26 115.31 121.91 2b7h h LEU 114 Ca 0.09 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.83 2b7h h LEU 114 Cb 0.78 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 2b7h h LEU 114 CO 0.06 0.72 0.26 0.00 0.09 0.00 0.00 178.44 179.57 2b7h h ALA 115 N 0.92 0.62 -0.07 1.53 0.00 -0.49 0.26 119.26 122.03 2b7h h ALA 115 Ca 0.12 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2b7h h ALA 115 Cb 0.37 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2b7h h ALA 115 CO 0.01 -0.08 -0.02 1.25 0.00 0.00 0.00 179.25 180.41 2b7h h HIS 116 N 0.51 -0.04 -0.16 0.00 -0.00 -0.26 0.13 115.15 115.33 2b7h h HIS 116 Ca 0.21 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.44 2b7h h HIS 116 Cb 0.09 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 2b7h h HIS 116 CO -0.09 -0.03 -0.51 0.45 -0.00 0.00 0.00 177.93 177.75 2b7h h HIS 117 N -0.00 0.56 0.00 5.26 -0.00 -0.49 -3.33 115.15 117.16 2b7h h HIS 117 Ca 0.03 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.22 2b7h h HIS 117 Cb 0.05 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.35 2b7h h HIS 117 CO -0.13 0.87 -1.61 1.19 -0.00 0.00 0.00 177.93 178.26 2b7h n PHE 118 N -3.97 0.00 -0.48 2.45 3.72 0.87 -5.04 117.46 115.01 2b7h n PHE 118 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2b7h n PHE 118 Cb 0.57 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2b7h n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2b7h n GLY 119 N 1.40 3.48 0.37 1.37 0.00 0.45 -2.27 105.19 109.99 2b7h n GLY 119 Ca -0.01 -0.12 0.19 0.00 0.00 0.00 0.00 46.02 46.08 2b7h n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2b7h h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 0.13 116.57 119.98 2b7h h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2b7h h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2b7h h LYS 120 CO 0.00 0.00 -0.17 0.93 -2.27 0.00 0.00 179.45 177.94 2b7h h GLU 121 N 0.00 0.00 -3.82 1.90 5.08 -1.85 -3.27 114.58 112.63 2b7h h GLU 121 Ca 0.17 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.80 2b7h h GLU 121 Cb 0.83 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.98 2b7h h GLU 121 CO -0.00 0.17 2.44 0.34 -1.00 0.00 0.00 179.01 180.96 2b7h n PHE 122 N -3.51 3.30 -0.98 4.33 7.35 0.44 -4.86 117.46 123.54 2b7h n PHE 122 Ca -0.01 -2.89 -0.30 0.00 -0.76 0.00 0.00 57.45 53.50 2b7h n PHE 122 Cb 0.32 -2.22 0.17 0.00 0.35 0.00 0.00 39.48 38.10 2b7h n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2b7h s THR 123 N 1.65 2.43 0.37 -2.13 -4.23 -1.23 -4.64 115.64 107.85 2b7h s THR 123 Ca 0.43 0.14 0.12 0.00 -1.18 0.00 0.00 61.69 61.19 2b7h s THR 123 Cb 0.11 -2.45 0.34 0.00 1.34 0.00 0.00 72.50 71.83 2b7h s THR 123 CO -0.03 -0.18 1.84 -0.65 -0.54 0.00 0.00 174.62 175.05 2b7h h PRO 124 N -1.83 0.59 -0.06 3.99 0.11 -1.93 0.16 132.00 133.02 2b7h h PRO 124 Ca -0.51 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 2b7h h PRO 124 Cb 1.29 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2b7h h PRO 124 CO 0.51 0.39 -0.01 1.96 -0.21 0.00 0.00 178.00 180.64 2b7h h GLN 125 N 0.60 0.12 0.12 1.05 7.50 -1.98 0.16 115.11 122.69 2b7h h GLN 125 Ca 0.50 -0.05 0.01 0.00 0.50 0.00 0.00 58.65 59.61 2b7h h GLN 125 Cb 0.96 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.46 2b7h h GLN 125 CO -0.24 0.44 -0.15 0.28 -1.50 0.00 0.00 178.83 177.66 2b7h h VAL 126 N -0.21 0.65 -0.50 -0.54 2.07 -1.78 -1.26 116.25 114.69 2b7h h VAL 126 Ca 0.02 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2b7h h VAL 126 Cb 0.40 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 2b7h h VAL 126 CO 0.01 0.00 0.13 -0.61 0.02 0.00 0.00 177.57 177.11 2b7h h GLN 127 N -0.32 0.26 -0.47 1.57 4.15 -0.66 0.12 115.11 119.77 2b7h h GLN 127 Ca 0.01 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.51 2b7h h GLN 127 Cb 0.32 -0.06 -0.10 0.00 0.21 0.00 0.00 27.48 27.86 2b7h h GLN 127 CO -0.07 0.18 -0.18 0.00 -1.93 0.00 0.00 178.83 176.83 2b7h h ALA 128 N 1.37 0.20 -0.46 3.38 0.00 -0.60 0.57 119.26 123.73 2b7h h ALA 128 Ca 0.25 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.33 2b7h h ALA 128 Cb 0.31 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2b7h h ALA 128 CO -0.30 -0.51 0.30 0.00 0.00 0.00 0.00 179.25 178.74 2b7h h ALA 129 N 1.31 0.59 -0.13 0.00 0.00 0.05 -2.22 119.26 118.86 2b7h h ALA 129 Ca 0.23 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2b7h h ALA 129 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2b7h h ALA 129 CO -0.52 0.04 -0.21 1.88 0.00 0.00 0.00 179.25 180.44 2b7h h TYR 130 N 0.63 0.23 -0.32 0.00 0.05 0.37 -2.32 116.97 115.61 2b7h h TYR 130 Ca 0.17 -0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 2b7h h TYR 130 Cb -0.06 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 2b7h h TYR 130 CO -0.04 0.42 0.04 1.96 -1.05 0.00 0.00 178.16 179.49 2b7h h GLN 131 N 0.20 0.48 -0.43 4.88 1.08 0.70 -1.44 115.11 120.58 2b7h h GLN 131 Ca 0.04 -0.09 -0.14 0.00 -1.45 0.00 0.00 58.65 57.01 2b7h h GLN 131 Cb 0.50 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2b7h h GLN 131 CO 0.03 0.48 -0.28 0.87 -0.95 0.00 0.00 178.83 178.99 2b7h h LYS 132 N 0.47 0.94 0.08 1.46 1.57 -1.02 -1.54 116.57 118.53 2b7h h LYS 132 Ca 0.11 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2b7h h LYS 132 Cb 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2b7h h LYS 132 CO 0.00 1.10 -0.04 0.28 -0.57 0.00 0.00 179.45 180.23 2b7h h VAL 133 N 0.78 0.98 -0.35 0.50 2.07 -1.07 0.38 116.25 119.54 2b7h h VAL 133 Ca 0.09 -0.18 -0.12 0.00 0.82 0.00 0.00 66.70 67.31 2b7h h VAL 133 Cb 0.86 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2b7h h VAL 133 CO 0.08 0.05 -0.26 -0.37 0.02 0.00 0.00 177.57 177.08 2b7h h VAL 134 N -0.19 1.27 -0.30 2.57 -1.51 -1.31 0.14 116.25 116.93 2b7h h VAL 134 Ca -0.01 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.09 2b7h h VAL 134 Cb 0.16 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2b7h h VAL 134 CO 0.02 0.45 0.20 0.00 -1.23 0.00 0.00 177.57 177.01 2b7h h ALA 135 N 1.10 0.38 -0.57 5.19 0.00 -1.15 0.25 119.26 124.47 2b7h h ALA 135 Ca 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2b7h h ALA 135 Cb 0.76 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2b7h h ALA 135 CO 0.06 -0.15 0.37 0.78 0.00 0.00 0.00 179.25 180.32 2b7h h GLY 136 N 0.41 0.80 0.81 0.00 0.00 0.31 0.11 103.07 105.51 2b7h h GLY 136 Ca 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2b7h h GLY 136 CO -0.02 0.28 0.01 -2.08 0.00 0.00 0.00 176.54 174.73 2b7h h VAL 137 N 0.76 1.18 -0.52 4.60 2.07 -0.53 0.14 116.25 123.95 2b7h h VAL 137 Ca 0.21 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2b7h h VAL 137 Cb -0.07 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2b7h h VAL 137 CO -0.05 0.15 0.29 0.00 0.02 0.00 0.00 177.57 177.97 2b7h h ALA 138 N 0.81 0.66 -0.68 1.67 0.00 -0.34 0.29 119.26 121.67 2b7h h ALA 138 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2b7h h ALA 138 Cb 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2b7h h ALA 138 CO -0.00 -0.03 0.25 -0.91 0.00 0.00 0.00 179.25 178.56 2b7h h ASN 139 N 0.57 0.96 -0.55 0.00 4.21 -0.69 -0.12 115.58 119.95 2b7h h ASN 139 Ca 0.22 -0.19 -0.04 0.00 1.21 0.00 0.00 56.30 57.50 2b7h h ASN 139 Cb 0.07 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.00 2b7h h ASN 139 CO -0.12 0.89 0.20 0.00 -1.29 0.00 0.00 177.43 177.10 2b7h h ALA 140 N 1.11 0.72 -0.16 -0.83 0.00 -0.05 0.10 119.26 120.15 2b7h h ALA 140 Ca 0.23 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2b7h h ALA 140 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2b7h h ALA 140 CO -0.01 0.36 -0.16 -0.07 0.00 0.00 0.00 179.25 179.36 2b7h h LEU 141 N 0.76 0.25 0.00 0.00 3.38 -0.22 -2.91 115.31 116.57 2b7h h LEU 141 Ca 0.18 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2b7h h LEU 141 Cb 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2b7h h LEU 141 CO -0.01 0.44 -0.44 0.00 0.09 0.00 0.00 178.44 178.51 2b7h n ALA 142 N -2.49 2.86 0.54 1.53 0.00 -0.08 -4.22 120.51 118.66 2b7h n ALA 142 Ca -0.01 -0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.24 2b7h n ALA 142 Cb 0.30 -1.24 0.10 0.00 0.00 0.00 0.00 19.45 18.61 2b7h n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2b7h n HIS 143 N -1.99 0.00 -1.39 0.00 -0.00 -0.02 -2.90 115.22 108.93 2b7h n HIS 143 Ca 0.04 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.57 2b7h n HIS 143 Cb 0.41 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.56 2b7h n HIS 143 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2b7h n LYS 144 N -0.71 2.27 0.00 1.57 3.00 -1.26 -5.10 118.16 117.93 2b7h n LYS 144 Ca 0.03 -3.21 0.00 0.00 -0.00 0.00 0.00 58.31 55.13 2b7h n LYS 144 Cb 0.01 -2.08 0.00 0.00 0.00 0.00 0.00 35.03 32.97 2b7h n LYS 144 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06