#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsj s THR 2 N 0.00 5.17 -0.18 1.96 2.01 0.20 -4.97 115.64 119.83 2qsj s THR 2 Ca 0.00 0.96 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 2qsj s THR 2 Cb 0.00 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2qsj s THR 2 CO 0.00 0.34 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.48 2qsj s VAL 3 N 0.50 2.99 -0.16 3.82 1.01 -1.26 -0.51 120.40 126.80 2qsj s VAL 3 Ca 0.26 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.59 2qsj s VAL 3 Cb -0.15 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 2qsj s VAL 3 CO 0.11 0.48 -0.12 -0.69 0.00 0.00 0.00 175.10 174.88 2qsj s VAL 4 N 1.02 3.04 -0.27 2.92 1.01 -0.44 0.04 120.40 127.71 2qsj s VAL 4 Ca -0.01 -0.65 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2qsj s VAL 4 Cb -0.15 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 2qsj s VAL 4 CO -0.02 0.50 0.20 -0.22 0.00 0.00 0.00 175.10 175.57 2qsj s LEU 5 N 0.70 4.04 -0.28 3.92 2.96 0.76 -0.50 118.68 130.28 2qsj s LEU 5 Ca -0.06 0.04 -0.10 0.00 -0.22 0.00 0.00 54.13 53.79 2qsj s LEU 5 Cb -0.15 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 2qsj s LEU 5 CO 0.02 -0.05 0.17 -0.51 -1.32 0.00 0.00 176.35 174.66 2qsj s ILE 6 N 1.69 5.13 -0.65 6.68 2.07 0.36 -0.04 121.20 136.45 2qsj s ILE 6 Ca 0.08 0.10 -0.16 0.00 -1.41 0.00 0.00 60.65 59.26 2qsj s ILE 6 Cb -0.16 -3.44 0.15 0.00 0.13 0.00 0.00 42.46 39.14 2qsj s ILE 6 CO 0.10 0.26 0.64 -0.69 -1.91 0.00 0.00 174.94 173.34 2qsj s VAL 7 N 1.73 5.25 -0.26 4.00 1.01 0.61 -0.77 120.40 131.97 2qsj s VAL 7 Ca 0.07 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.15 2qsj s VAL 7 Cb -0.16 -4.42 0.07 0.00 0.00 0.00 0.00 36.38 31.87 2qsj s VAL 7 CO 0.10 -0.98 0.65 -0.62 0.00 0.00 0.00 175.10 174.25 2qsj s ASP 8 N 3.17 -0.80 0.00 3.32 -1.08 -0.46 -1.41 116.67 119.42 2qsj s ASP 8 Ca 0.10 1.39 0.04 0.00 -0.52 0.00 0.00 52.55 53.56 2qsj s ASP 8 Cb -0.22 1.32 0.16 0.00 -1.46 0.00 0.00 42.92 42.71 2qsj s ASP 8 CO -0.01 -0.23 1.12 -0.67 0.52 0.00 0.00 175.17 175.90 2qsj n ASP 9 N 3.65 0.55 -4.03 -0.34 2.03 -1.16 -4.41 116.55 112.84 2qsj n ASP 9 Ca -0.18 -1.96 -0.31 0.00 0.52 0.00 0.00 54.79 52.85 2qsj n ASP 9 Cb 0.57 -0.07 -0.15 0.00 -0.72 0.00 0.00 41.12 40.75 2qsj n ASP 9 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2qsj s HIS 10 N -1.87 2.84 0.19 -0.67 3.76 -1.26 -5.01 115.29 113.27 2qsj s HIS 10 Ca 0.09 -1.96 -0.18 0.00 -0.15 0.00 0.00 55.06 52.86 2qsj s HIS 10 Cb 0.04 -1.79 0.17 0.00 1.11 0.00 0.00 32.58 32.11 2qsj s HIS 10 CO 0.06 -0.82 1.61 1.25 -0.85 0.00 0.00 174.74 175.99 2qsj h HIS 11 N 7.87 -0.65 -0.04 1.40 2.76 -2.00 -0.48 115.15 124.01 2qsj h HIS 11 Ca -0.24 0.06 -0.11 0.00 -2.20 0.00 0.00 60.37 57.89 2qsj h HIS 11 Cb 1.07 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 30.39 2qsj h HIS 11 CO 0.56 -0.34 -0.47 -0.07 -1.30 0.00 0.00 177.93 176.32 2qsj h LEU 12 N -0.11 0.11 -0.02 0.26 3.38 -1.98 0.14 115.31 117.10 2qsj h LEU 12 Ca 0.26 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2qsj h LEU 12 Cb 0.51 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2qsj h LEU 12 CO -0.65 0.57 -0.00 0.40 0.09 0.00 0.00 178.44 178.85 2qsj h ILE 13 N 0.09 1.25 -0.21 1.22 1.08 -1.78 -0.46 117.51 118.70 2qsj h ILE 13 Ca 0.00 -0.75 0.06 0.00 -0.39 0.00 0.00 64.86 63.78 2qsj h ILE 13 Cb 0.87 1.73 -0.07 0.00 -3.07 0.00 0.00 36.82 36.28 2qsj h ILE 13 CO 0.07 0.20 -0.27 0.03 -0.69 0.00 0.00 178.15 177.48 2qsj h ARG 14 N -0.28 -0.29 -0.50 2.37 3.08 -0.75 -1.94 114.38 116.07 2qsj h ARG 14 Ca 0.01 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 2qsj h ARG 14 Cb 0.32 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2qsj h ARG 14 CO 0.00 -0.19 -0.05 0.00 -1.07 0.00 0.00 179.97 178.66 2qsj h ALA 15 N 0.66 0.97 -0.18 0.04 0.00 -0.74 -0.58 119.26 119.43 2qsj h ALA 15 Ca 0.12 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2qsj h ALA 15 Cb 0.49 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2qsj h ALA 15 CO -0.38 0.62 -0.17 0.78 0.00 0.00 0.00 179.25 180.10 2qsj h GLY 16 N 0.98 -0.06 1.05 0.00 0.00 -0.99 -0.34 103.07 103.72 2qsj h GLY 16 Ca 0.14 0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 2qsj h GLY 16 CO 0.03 -0.16 0.30 0.00 0.00 0.00 0.00 176.54 176.71 2qsj h ALA 17 N 0.91 1.03 -0.17 3.60 0.00 -1.16 -1.72 119.26 121.73 2qsj h ALA 17 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2qsj h ALA 17 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2qsj h ALA 17 CO -0.29 0.67 0.04 -0.22 0.00 0.00 0.00 179.25 179.45 2qsj h LYS 18 N 1.15 0.28 -0.39 0.00 3.64 -0.50 -0.81 116.57 119.93 2qsj h LYS 18 Ca 0.26 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2qsj h LYS 18 Cb 0.24 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2qsj h LYS 18 CO -0.02 0.42 0.26 -0.91 -2.27 0.00 0.00 179.45 176.93 2qsj h ASN 19 N 0.08 0.44 0.41 4.20 2.35 -1.07 -0.87 115.58 121.12 2qsj h ASN 19 Ca 0.05 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2qsj h ASN 19 Cb 0.27 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2qsj h ASN 19 CO 0.00 0.32 -0.19 0.25 -1.65 0.00 0.00 177.43 176.15 2qsj h LEU 20 N 0.52 -0.46 -0.14 1.61 5.85 -1.19 -1.53 115.31 119.96 2qsj h LEU 20 Ca 0.14 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2qsj h LEU 20 Cb -0.06 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2qsj h LEU 20 CO -0.03 -0.31 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.65 2qsj h LEU 21 N -0.57 0.28 -1.43 2.25 3.38 -1.14 -2.09 115.31 116.00 2qsj h LEU 21 Ca -0.06 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2qsj h LEU 21 Cb 0.43 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2qsj h LEU 21 CO 0.09 0.59 0.06 -0.33 0.09 0.00 0.00 178.44 178.94 2qsj h GLU 22 N -0.03 0.44 -0.07 1.13 5.08 -1.24 -0.88 114.58 119.01 2qsj h GLU 22 Ca 0.04 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2qsj h GLU 22 Cb 0.47 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2qsj h GLU 22 CO 0.02 0.42 -0.22 0.78 -1.00 0.00 0.00 179.01 179.00 2qsj h GLY 23 N 0.68 0.12 0.44 -3.84 0.00 -1.05 -3.27 103.07 96.15 2qsj h GLY 23 Ca 0.10 -0.08 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 2qsj h GLY 23 CO -0.00 0.08 -1.99 0.00 0.00 0.00 0.00 176.54 174.62 2qsj n ALA 24 N -2.49 1.71 -3.25 3.60 0.00 -0.81 -4.92 120.51 114.36 2qsj n ALA 24 Ca -0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.16 2qsj n ALA 24 Cb 0.31 -0.56 -0.17 0.00 0.00 0.00 0.00 19.45 19.03 2qsj n ALA 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2qsj s PHE 25 N -2.70 2.33 0.06 0.00 0.08 -0.39 -5.04 117.98 112.32 2qsj s PHE 25 Ca -0.07 -0.93 -0.15 0.00 0.12 0.00 0.00 56.93 55.89 2qsj s PHE 25 Cb 0.08 -1.58 -0.20 0.00 -0.57 0.00 0.00 43.02 40.75 2qsj s PHE 25 CO 0.83 -0.38 1.21 0.66 -0.10 0.00 0.00 175.22 177.44 2qsj h SER 26 N 6.73 0.81 -0.49 1.36 4.64 -1.88 -3.30 113.55 121.43 2qsj h SER 26 Ca -0.22 -0.70 -0.26 0.00 -0.47 0.00 0.00 61.79 60.14 2qsj h SER 26 Cb 1.23 -0.24 -0.15 0.00 -0.31 0.00 0.00 62.40 62.92 2qsj h SER 26 CO 0.47 1.39 0.34 0.61 -0.87 0.00 0.00 176.83 178.77 2qsj n GLY 27 N 0.92 3.35 3.32 -0.77 0.00 -1.26 -4.95 105.19 105.80 2qsj n GLY 27 Ca -0.09 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 2qsj n GLY 27 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2qsj s MET 28 N -1.64 2.50 -0.10 1.61 0.00 -1.24 0.61 119.30 121.03 2qsj s MET 28 Ca 0.28 -0.86 0.04 0.00 0.00 0.00 0.00 55.69 55.15 2qsj s MET 28 Cb 0.24 -2.20 0.00 0.00 0.00 0.00 0.00 34.83 32.86 2qsj s MET 28 CO 0.05 0.45 -0.23 0.50 0.00 0.00 0.00 175.02 175.79 2qsj s ARG 29 N -0.33 2.99 -0.19 4.11 3.52 0.34 -4.75 118.95 124.63 2qsj s ARG 29 Ca 0.02 -0.86 -0.05 0.00 -0.13 0.00 0.00 55.73 54.71 2qsj s ARG 29 Cb -0.12 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2qsj s ARG 29 CO 0.02 0.16 0.01 0.08 -0.81 0.00 0.00 175.30 174.76 2qsj s VAL 30 N 0.39 4.14 0.29 7.11 1.01 -1.26 -1.33 120.40 130.75 2qsj s VAL 30 Ca -0.18 -0.25 0.10 0.00 0.00 0.00 0.00 61.98 61.64 2qsj s VAL 30 Cb -0.18 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2qsj s VAL 30 CO 0.08 0.44 -0.04 -1.61 0.00 0.00 0.00 175.10 173.97 2qsj s GLU 31 N 0.78 2.08 0.21 2.72 2.02 0.35 -4.97 118.70 121.89 2qsj s GLU 31 Ca 0.01 -1.61 0.12 0.00 0.02 0.00 0.00 54.97 53.50 2qsj s GLU 31 Cb -0.14 -1.99 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 2qsj s GLU 31 CO 0.02 0.28 -0.23 0.20 0.02 0.00 0.00 175.26 175.55 2qsj s GLY 32 N -3.65 1.75 -0.01 -1.39 0.00 -1.26 -0.48 107.32 102.27 2qsj s GLY 32 Ca 0.32 -1.70 -0.02 0.00 0.00 0.00 0.00 44.72 43.33 2qsj s GLY 32 CO 0.19 -1.74 0.04 0.00 0.00 0.00 0.00 173.10 171.59 2qsj s ALA 33 N -1.86 -0.10 0.14 3.20 0.00 0.05 -4.89 121.76 118.29 2qsj s ALA 33 Ca 0.23 0.09 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 2qsj s ALA 33 Cb -0.07 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 2qsj s ALA 33 CO 0.11 -0.03 1.53 0.93 0.00 0.00 0.00 175.76 178.31 2qsj h GLU 34 N 6.00 0.86 -4.18 0.00 5.08 -1.85 -1.22 114.58 119.26 2qsj h GLU 34 Ca -0.25 -0.34 -0.15 0.00 -1.00 0.00 0.00 59.36 57.62 2qsj h GLU 34 Cb 1.21 -0.04 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 2qsj h GLU 34 CO 0.48 0.98 -0.47 0.95 -1.00 0.00 0.00 179.01 179.96 2qsj s THR 35 N -4.74 0.06 0.26 1.13 -4.23 -1.26 -2.99 115.64 103.87 2qsj s THR 35 Ca -0.12 -1.68 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 2qsj s THR 35 Cb 0.11 -2.07 0.27 0.00 1.34 0.00 0.00 72.50 72.14 2qsj s THR 35 CO 0.84 -0.26 1.89 0.58 -0.54 0.00 0.00 174.62 177.13 2qsj h VAL 36 N 2.63 1.13 -0.36 2.29 2.07 -1.93 0.12 116.25 122.20 2qsj h VAL 36 Ca -0.33 -0.42 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2qsj h VAL 36 Cb 1.23 -0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2qsj h VAL 36 CO 0.51 0.22 -0.03 0.28 0.02 0.00 0.00 177.57 178.57 2qsj h SER 37 N 1.22 -0.22 -0.47 0.57 0.02 -1.99 0.95 113.55 113.63 2qsj h SER 37 Ca 0.42 0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 61.34 2qsj h SER 37 Cb 0.09 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 2qsj h SER 37 CO -0.15 -0.07 -0.16 0.44 -1.14 0.00 0.00 176.83 175.74 2qsj h ASP 38 N 0.06 0.98 -0.98 3.07 3.32 -1.81 -1.54 116.42 119.52 2qsj h ASP 38 Ca 0.18 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2qsj h ASP 38 Cb 0.25 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 2qsj h ASP 38 CO -0.32 1.13 0.62 0.00 -1.72 0.00 0.00 179.24 178.94 2qsj h ALA 39 N 0.95 1.26 -0.27 3.45 0.00 -0.55 -1.62 119.26 122.48 2qsj h ALA 39 Ca 0.12 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 2qsj h ALA 39 Cb 0.72 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qsj h ALA 39 CO 0.06 0.66 -0.51 -0.07 0.00 0.00 0.00 179.25 179.39 2qsj h LEU 40 N 1.33 0.84 -0.78 0.00 3.38 -0.41 -1.83 115.31 117.85 2qsj h LEU 40 Ca 0.35 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2qsj h LEU 40 Cb -0.11 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.35 2qsj h LEU 40 CO -0.07 1.19 0.48 0.00 0.09 0.00 0.00 178.44 180.13 2qsj h ALA 41 N 0.83 1.04 -0.42 1.53 0.00 -1.10 0.28 119.26 121.42 2qsj h ALA 41 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2qsj h ALA 41 Cb 1.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2qsj h ALA 41 CO 0.11 0.25 0.05 0.35 0.00 0.00 0.00 179.25 180.00 2qsj h PHE 42 N 0.91 0.75 -0.40 0.00 3.57 -1.02 -1.83 116.94 118.92 2qsj h PHE 42 Ca 0.32 -0.11 -0.09 0.00 3.53 0.00 0.00 57.97 61.62 2qsj h PHE 42 Cb 0.08 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2qsj h PHE 42 CO -0.04 0.74 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.60 2qsj h LEU 43 N 0.55 0.80 -1.97 0.59 3.38 -1.22 -2.93 115.31 114.50 2qsj h LEU 43 Ca 0.12 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2qsj h LEU 43 Cb 0.41 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qsj h LEU 43 CO 0.01 0.98 -0.05 -0.33 0.09 0.00 0.00 178.44 179.14 2qsj h GLU 44 N 0.60 0.00 0.00 1.13 5.08 -0.73 -0.70 114.58 119.96 2qsj h GLU 44 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2qsj h GLU 44 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2qsj h GLU 44 CO 0.04 0.05 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 2qsj n ALA 45 N -2.50 1.88 -1.37 3.43 0.00 -0.71 -4.84 120.51 116.41 2qsj n ALA 45 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2qsj n ALA 45 Cb 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.33 2qsj n ALA 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qsj n ASP 46 N -1.26 -1.63 -4.74 0.00 2.03 -0.27 -5.06 116.55 105.62 2qsj n ASP 46 Ca 0.08 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.98 2qsj n ASP 46 Cb 0.12 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.03 2qsj n ASP 46 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2qsj s ASN 47 N -2.87 7.39 0.14 1.67 0.01 -1.16 -5.06 114.94 115.05 2qsj s ASN 47 Ca 0.00 1.66 0.07 0.00 -0.71 0.00 0.00 52.86 53.88 2qsj s ASN 47 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 2qsj s ASN 47 CO 0.00 -0.03 -0.03 0.42 -1.51 0.00 0.00 177.10 175.95 2qsj s THR 48 N -0.06 3.68 0.16 1.60 -4.23 -1.26 -4.51 115.64 111.03 2qsj s THR 48 Ca 0.43 -1.29 -0.03 0.00 -1.18 0.00 0.00 61.69 59.62 2qsj s THR 48 Cb -0.22 -2.80 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 2qsj s THR 48 CO 0.27 -0.00 0.13 0.68 -0.54 0.00 0.00 174.62 175.15 2qsj s VAL 49 N -1.50 0.06 -0.14 2.29 -7.23 -1.26 -4.93 120.40 107.69 2qsj s VAL 49 Ca 0.25 -1.85 0.14 0.00 -1.81 0.00 0.00 61.98 58.71 2qsj s VAL 49 Cb -0.10 -2.16 -0.19 0.00 0.56 0.00 0.00 36.38 34.49 2qsj s VAL 49 CO 0.17 -0.29 0.07 0.47 -0.31 0.00 0.00 175.10 175.22 2qsj n ASP 50 N -0.17 1.29 -3.70 4.85 8.00 0.11 -4.92 116.55 122.00 2qsj n ASP 50 Ca -0.03 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.34 2qsj n ASP 50 Cb 0.64 0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 42.57 2qsj n ASP 50 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qsj s LEU 51 N -5.05 0.04 -0.18 0.64 2.96 -0.88 -3.56 118.68 112.65 2qsj s LEU 51 Ca -0.07 0.98 -0.01 0.00 -0.22 0.00 0.00 54.13 54.81 2qsj s LEU 51 Cb 0.05 1.63 -0.00 0.00 0.50 0.00 0.00 46.19 48.36 2qsj s LEU 51 CO 0.62 -0.18 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.73 2qsj s ILE 52 N 0.59 2.94 -0.34 6.68 1.01 -0.07 -0.17 121.20 131.84 2qsj s ILE 52 Ca -0.03 -0.66 -0.12 0.00 0.00 0.00 0.00 60.65 59.84 2qsj s ILE 52 Cb -0.05 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 2qsj s ILE 52 CO -0.04 0.49 0.22 -0.76 0.00 0.00 0.00 174.94 174.85 2qsj s LEU 53 N 1.00 4.45 -0.25 2.97 1.43 0.95 -1.03 118.68 128.20 2qsj s LEU 53 Ca -0.01 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 2qsj s LEU 53 Cb -0.15 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2qsj s LEU 53 CO -0.02 -0.25 0.07 -0.22 0.23 0.00 0.00 176.35 176.16 2qsj s LEU 54 N 1.68 3.42 0.39 1.79 2.96 -0.07 -0.29 118.68 128.56 2qsj s LEU 54 Ca 0.05 -0.21 -0.26 0.00 -0.22 0.00 0.00 54.13 53.49 2qsj s LEU 54 Cb -0.18 -1.92 -0.09 0.00 0.50 0.00 0.00 46.19 44.51 2qsj s LEU 54 CO 0.09 -0.03 1.19 -0.62 -1.32 0.00 0.00 176.35 175.66 2qsj s ASP 55 N 1.60 6.56 0.04 3.68 2.15 -0.50 -0.49 116.67 129.71 2qsj s ASP 55 Ca 0.06 2.41 -0.00 0.00 0.43 0.00 0.00 52.55 55.45 2qsj s ASP 55 Cb -0.15 -2.62 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 2qsj s ASP 55 CO 0.03 -0.65 -0.03 0.68 -0.17 0.00 0.00 175.17 175.03 2qsj s VAL 56 N -1.36 0.20 0.00 1.11 -7.23 -0.92 -4.90 120.40 107.31 2qsj s VAL 56 Ca 0.56 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2qsj s VAL 56 Cb -0.32 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.59 2qsj s VAL 56 CO 0.41 -0.79 0.00 0.00 -0.31 0.00 0.00 175.10 174.41 2qsj n ALA 63 N 0.70 0.00 -0.08 1.32 0.00 -1.26 -3.78 120.51 117.41 2qsj n ALA 63 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 2qsj n ALA 63 Cb 0.59 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.13 2qsj n ALA 63 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qsj h ILE 64 N 0.00 1.27 -0.94 0.00 1.08 -1.99 -2.48 117.51 114.45 2qsj h ILE 64 Ca 0.00 -1.34 0.05 0.00 -0.39 0.00 0.00 64.86 63.18 2qsj h ILE 64 Cb 0.00 1.23 -0.06 0.00 -3.07 0.00 0.00 36.82 34.92 2qsj h ILE 64 CO 0.00 0.44 0.62 -0.78 -0.69 0.00 0.00 178.15 177.74 2qsj h ASP 65 N 0.65 0.99 -0.32 1.72 3.58 -2.02 0.13 116.42 121.16 2qsj h ASP 65 Ca 0.09 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2qsj h ASP 65 Cb 0.73 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2qsj h ASP 65 CO 0.06 0.66 0.16 1.23 -2.88 0.00 0.00 179.24 178.46 2qsj h GLY 66 N 1.14 0.48 0.79 -0.78 0.00 -1.94 0.43 103.07 103.19 2qsj h GLY 66 Ca 0.39 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.50 2qsj h GLY 66 CO -0.13 0.22 -0.06 -2.00 0.00 0.00 0.00 176.54 174.57 2qsj h LEU 67 N 0.38 -0.19 -0.09 3.11 5.85 -0.96 -1.31 115.31 122.10 2qsj h LEU 67 Ca 0.11 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2qsj h LEU 67 Cb 0.10 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2qsj h LEU 67 CO -0.01 -0.09 -0.23 0.58 -0.34 0.00 0.00 178.44 178.34 2qsj h VAL 68 N -0.09 0.44 -0.57 1.05 2.07 -0.45 -2.04 116.25 116.66 2qsj h VAL 68 Ca 0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.67 2qsj h VAL 68 Cb 0.14 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 30.27 2qsj h VAL 68 CO -0.09 0.00 0.08 0.03 0.02 0.00 0.00 177.57 177.61 2qsj h ARG 69 N -0.32 0.20 -0.29 1.57 3.08 0.08 -1.50 114.38 117.20 2qsj h ARG 69 Ca 0.09 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 2qsj h ARG 69 Cb 0.45 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2qsj h ARG 69 CO -0.27 0.13 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.53 2qsj h LEU 70 N 0.20 0.49 0.15 3.04 3.38 -0.84 -1.02 115.31 120.71 2qsj h LEU 70 Ca 0.30 -0.14 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 2qsj h LEU 70 Cb 0.45 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2qsj h LEU 70 CO -0.42 0.68 -1.01 0.11 0.09 0.00 0.00 178.44 177.89 2qsj h LYS 71 N 0.46 0.32 -0.72 1.13 1.79 -1.15 -2.24 116.57 116.15 2qsj h LYS 71 Ca 0.08 -0.54 0.08 0.00 -2.18 0.00 0.00 60.65 58.09 2qsj h LYS 71 Cb 0.55 0.20 -0.07 0.00 -1.58 0.00 0.00 32.23 31.33 2qsj h LYS 71 CO 0.04 1.26 0.39 0.00 -1.08 0.00 0.00 179.45 180.05 2qsj h ARG 72 N -0.30 0.66 0.07 3.15 3.08 -1.26 -2.10 114.38 117.67 2qsj h ARG 72 Ca -0.19 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 2qsj h ARG 72 Cb 1.72 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.63 2qsj h ARG 72 CO 0.15 0.43 -0.03 0.35 -1.07 0.00 0.00 179.97 179.80 2qsj h PHE 73 N 0.68 -0.09 -2.15 3.04 3.57 -1.19 -3.40 116.94 117.40 2qsj h PHE 73 Ca 0.34 -0.00 -0.45 0.00 3.53 0.00 0.00 57.97 61.39 2qsj h PHE 73 Cb 0.30 0.03 -0.34 0.00 2.79 0.00 0.00 35.95 38.73 2qsj h PHE 73 CO -0.09 -0.04 -0.76 0.34 -2.23 0.00 0.00 178.31 175.54 2qsj s ASP 74 N -5.12 1.66 0.41 0.41 -1.08 -0.85 -4.99 116.67 107.11 2qsj s ASP 74 Ca -0.14 -1.93 0.25 0.00 -0.52 0.00 0.00 52.55 50.21 2qsj s ASP 74 Cb 0.06 0.21 1.34 0.00 -1.46 0.00 0.00 42.92 43.07 2qsj s ASP 74 CO 0.66 -0.26 1.74 -0.65 0.52 0.00 0.00 175.17 177.17 2qsj h PRO 75 N 6.83 0.00 -0.00 4.34 0.11 -1.60 -0.21 132.00 141.46 2qsj h PRO 75 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2qsj h PRO 75 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2qsj h PRO 75 CO 0.23 0.00 -0.01 -1.13 -0.21 0.00 0.00 178.00 176.87 2qsj n SER 76 N -2.41 0.02 -4.76 -2.05 3.41 -1.26 -4.70 113.62 101.86 2qsj n SER 76 Ca -0.02 0.33 -0.39 0.00 -0.26 0.00 0.00 58.87 58.54 2qsj n SER 76 Cb 0.12 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 2qsj n SER 76 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2qsj s ASN 77 N -2.90 6.92 0.29 4.04 0.02 -0.09 -5.04 114.94 118.18 2qsj s ASN 77 Ca 0.17 1.10 -0.29 0.00 -1.02 0.00 0.00 52.86 52.82 2qsj s ASN 77 Cb 0.19 -2.35 -0.10 0.00 0.02 0.00 0.00 41.25 39.02 2qsj s ASN 77 CO 0.52 0.09 1.18 0.00 0.02 0.00 0.00 177.10 178.91 2qsj s ALA 78 N -0.09 3.44 -0.09 0.60 0.00 -1.23 -4.96 121.76 119.43 2qsj s ALA 78 Ca 0.30 1.03 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 2qsj s ALA 78 Cb -0.18 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.59 2qsj s ALA 78 CO 0.16 -0.34 0.00 0.08 0.00 0.00 0.00 175.76 175.66 2qsj s VAL 79 N -1.07 0.43 -0.03 0.00 1.01 -1.26 -0.89 120.40 118.58 2qsj s VAL 79 Ca 0.47 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.54 2qsj s VAL 79 Cb -0.35 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2qsj s VAL 79 CO 0.45 0.22 -0.24 0.00 0.00 0.00 0.00 175.10 175.53 2qsj s ALA 80 N 1.95 2.01 0.12 5.51 0.00 -0.20 0.20 121.76 131.35 2qsj s ALA 80 Ca 0.04 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.71 2qsj s ALA 80 Cb -0.13 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.38 2qsj s ALA 80 CO -0.06 0.46 0.85 -0.51 0.00 0.00 0.00 175.76 176.50 2qsj s LEU 81 N -0.43 4.53 -0.23 0.00 1.02 -0.19 -0.89 118.68 122.48 2qsj s LEU 81 Ca 0.05 1.67 -0.01 0.00 0.02 0.00 0.00 54.13 55.87 2qsj s LEU 81 Cb -0.11 -3.41 0.02 0.00 0.02 0.00 0.00 46.19 42.72 2qsj s LEU 81 CO 0.00 0.06 -0.09 -0.63 0.02 0.00 0.00 176.35 175.71 2qsj s ILE 82 N -0.47 2.69 -0.08 -0.59 1.01 0.36 -0.51 121.20 123.60 2qsj s ILE 82 Ca 0.41 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2qsj s ILE 82 Cb -0.23 -2.33 0.02 0.00 0.01 0.00 0.00 42.46 39.93 2qsj s ILE 82 CO 0.27 0.27 -0.10 -0.55 0.00 0.00 0.00 174.94 174.82 2qsj s SER 83 N 1.31 1.93 0.00 3.58 0.15 -0.26 -2.16 113.70 118.25 2qsj s SER 83 Ca 0.01 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.36 2qsj s SER 83 Cb -0.16 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 2qsj s SER 83 CO -0.06 -0.03 0.83 0.61 1.20 0.00 0.00 173.24 175.80 2qsj n GLY 84 N 4.26 -0.35 0.00 9.45 0.00 -1.25 -1.10 105.19 116.21 2qsj n GLY 84 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2qsj n GLY 84 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qsj n GLU 85 N -1.33 3.64 -0.12 1.61 4.07 -1.26 -4.83 120.64 122.42 2qsj n GLU 85 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 2qsj n GLU 85 Cb 0.10 0.00 -0.12 0.00 -0.06 0.00 0.00 31.44 31.36 2qsj n GLU 85 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2qsj n HIS 88 N 0.00 0.00 -0.07 4.31 -0.00 -1.26 -5.02 115.22 113.18 2qsj n HIS 88 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2qsj n HIS 88 Cb 0.00 -0.94 -0.04 0.00 -0.12 0.00 0.00 29.99 28.89 2qsj n HIS 88 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 2qsj h GLU 89 N 0.00 0.35 0.29 1.57 4.57 -2.04 -0.34 114.58 118.98 2qsj h GLU 89 Ca -0.54 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.57 2qsj h GLU 89 Cb 1.87 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 30.38 2qsj h GLU 89 CO -0.07 0.44 -0.40 1.25 -1.18 0.00 0.00 179.01 179.05 2qsj h LEU 90 N 0.19 -1.12 -0.63 1.64 5.85 -1.98 0.37 115.31 119.63 2qsj h LEU 90 Ca 0.07 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.91 2qsj h LEU 90 Cb 0.24 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2qsj h LEU 90 CO -0.00 -0.52 0.40 0.40 -0.34 0.00 0.00 178.44 178.38 2qsj h ILE 91 N -0.74 1.13 -0.11 4.05 2.04 -1.96 -0.90 117.51 121.02 2qsj h ILE 91 Ca -0.01 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2qsj h ILE 91 Cb 0.70 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2qsj h ILE 91 CO -0.13 0.15 0.07 -0.09 0.00 0.00 0.00 178.15 178.15 2qsj h ARG 92 N 0.81 0.15 -0.57 2.37 2.43 -0.80 -0.86 114.38 117.91 2qsj h ARG 92 Ca 0.24 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 2qsj h ARG 92 Cb -0.05 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.40 2qsj h ARG 92 CO -0.07 0.11 0.22 0.00 -1.51 0.00 0.00 179.97 178.72 2qsj h ALA 93 N 1.03 0.73 0.08 2.80 0.00 -0.03 -2.37 119.26 121.50 2qsj h ALA 93 Ca 0.04 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2qsj h ALA 93 Cb -0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2qsj h ALA 93 CO -0.01 -0.17 -0.19 0.00 0.00 0.00 0.00 179.25 178.88 2qsj h ALA 94 N 1.38 -0.30 -0.98 0.00 0.00 -0.75 -1.52 119.26 117.08 2qsj h ALA 94 Ca 0.28 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.21 2qsj h ALA 94 Cb 0.31 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 2qsj h ALA 94 CO -0.27 -0.71 0.64 -0.07 0.00 0.00 0.00 179.25 178.85 2qsj h LEU 95 N -0.35 1.07 -0.80 0.00 3.38 -1.03 -1.61 115.31 115.97 2qsj h LEU 95 Ca 0.03 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2qsj h LEU 95 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2qsj h LEU 95 CO -0.12 0.73 -0.16 -0.08 0.09 0.00 0.00 178.44 178.90 2qsj h GLU 96 N 1.24 0.73 0.00 1.13 4.81 -1.00 -0.23 114.58 121.26 2qsj h GLU 96 Ca 0.39 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2qsj h GLU 96 Cb 0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2qsj h GLU 96 CO -0.12 0.85 0.00 0.00 -0.73 0.00 0.00 179.01 179.01 2qsj n ALA 97 N -2.49 2.23 -0.71 2.92 0.00 -0.61 -4.90 120.51 116.96 2qsj n ALA 97 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qsj n ALA 97 Cb 0.39 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2qsj n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qsj n GLY 98 N 0.26 0.59 3.71 0.00 0.00 -0.10 -4.71 105.19 104.94 2qsj n GLY 98 Ca 0.07 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 2qsj n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsj n ALA 99 N 0.13 1.17 -0.25 4.61 0.00 -0.67 -4.84 120.51 120.65 2qsj n ALA 99 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2qsj n ALA 99 Cb 0.00 -2.29 0.31 0.00 0.00 0.00 0.00 19.45 17.47 2qsj n ALA 99 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qsj n ASP 100 N -0.97 3.86 0.00 0.00 8.00 0.13 -4.71 116.55 122.86 2qsj n ASP 100 Ca 0.12 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.62 2qsj n ASP 100 Cb 0.45 -0.46 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2qsj n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qsj n GLY 101 N 1.65 2.48 2.76 0.44 0.00 -1.25 -3.40 105.19 107.86 2qsj n GLY 101 Ca 0.24 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 2qsj n GLY 101 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qsj s PHE 102 N -2.00 -0.32 -0.23 1.61 5.36 -0.36 -1.03 117.98 121.02 2qsj s PHE 102 Ca 0.00 0.24 -0.04 0.00 -0.96 0.00 0.00 56.93 56.17 2qsj s PHE 102 Cb 0.00 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.33 2qsj s PHE 102 CO 0.00 -0.63 -0.03 0.42 -1.46 0.00 0.00 175.22 173.53 2qsj s ILE 103 N 2.34 3.45 0.39 3.12 1.01 0.34 -3.83 121.20 128.01 2qsj s ILE 103 Ca 0.07 -0.51 -0.27 0.00 0.00 0.00 0.00 60.65 59.94 2qsj s ILE 103 Cb -0.16 -2.60 -0.10 0.00 0.01 0.00 0.00 42.46 39.61 2qsj s ILE 103 CO -0.13 0.38 1.45 -2.84 0.00 0.00 0.00 174.94 173.80 2qsj s PRO 104 N 1.48 4.04 0.48 2.79 0.02 -1.26 -1.11 135.00 141.45 2qsj s PRO 104 Ca 0.05 2.48 0.16 0.00 0.02 0.00 0.00 61.00 63.72 2qsj s PRO 104 Cb -0.15 -2.90 1.15 0.00 0.02 0.00 0.00 34.50 32.62 2qsj s PRO 104 CO -0.03 -0.55 2.06 0.87 -0.33 0.00 0.00 177.00 179.03 2qsj h LYS 105 N 2.89 0.00 -0.01 5.54 1.79 -1.43 -1.82 116.57 123.53 2qsj h LYS 105 Ca -0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 2qsj h LYS 105 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2qsj h LYS 105 CO 0.64 0.11 0.00 -1.13 -1.08 0.00 0.00 179.45 177.98 2qsj n SER 106 N -4.34 0.50 -4.77 0.86 3.41 -1.26 -4.90 113.62 103.12 2qsj n SER 106 Ca -0.03 -1.22 -0.40 0.00 -0.26 0.00 0.00 58.87 56.96 2qsj n SER 106 Cb 0.18 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 2qsj n SER 106 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qsj s ALA 107 N -1.99 3.31 0.24 7.33 0.00 -0.68 -4.96 121.76 125.01 2qsj s ALA 107 Ca 0.42 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 53.48 2qsj s ALA 107 Cb 0.20 -3.55 -0.14 0.00 0.00 0.00 0.00 23.12 19.62 2qsj s ALA 107 CO 0.34 -1.03 1.14 -3.47 0.00 0.00 0.00 175.76 172.74 2qsj n ASP 108 N 0.06 1.60 -0.39 0.00 2.03 -1.26 -4.87 116.55 113.72 2qsj n ASP 108 Ca 0.04 1.16 0.34 0.00 0.52 0.00 0.00 54.79 56.85 2qsj n ASP 108 Cb 0.42 -1.29 0.68 0.00 -0.72 0.00 0.00 41.12 40.20 2qsj n ASP 108 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2qsj h PRO 109 N 2.86 0.12 0.06 -0.67 0.13 -1.97 -2.04 132.00 130.49 2qsj h PRO 109 Ca -0.42 -0.01 -0.24 0.00 -0.87 0.00 0.00 66.00 64.47 2qsj h PRO 109 Cb 1.33 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.43 2qsj h PRO 109 CO 0.66 0.08 -1.06 0.37 -0.23 0.00 0.00 178.00 177.82 2qsj h GLN 110 N 0.12 0.27 -0.94 0.86 5.75 -2.00 -2.49 115.11 116.69 2qsj h GLN 110 Ca 0.66 -0.36 0.02 0.00 -0.15 0.00 0.00 58.65 58.81 2qsj h GLN 110 Cb 2.27 0.12 -0.05 0.00 1.07 0.00 0.00 27.48 30.89 2qsj h GLN 110 CO -0.16 1.11 0.62 0.28 -2.65 0.00 0.00 178.83 178.03 2qsj h VAL 111 N 0.12 1.21 -0.34 2.39 2.07 -1.74 -1.44 116.25 118.51 2qsj h VAL 111 Ca -0.09 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2qsj h VAL 111 Cb 1.74 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 2qsj h VAL 111 CO 0.17 0.22 0.21 0.25 0.02 0.00 0.00 177.57 178.45 2qsj h LEU 112 N 1.23 0.40 -0.42 2.57 5.85 -1.25 0.17 115.31 123.86 2qsj h LEU 112 Ca 0.35 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.09 2qsj h LEU 112 Cb -0.08 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 2qsj h LEU 112 CO -0.09 0.32 0.14 0.40 -0.34 0.00 0.00 178.44 178.87 2qsj h ILE 113 N 0.45 0.86 -0.05 4.05 2.04 -1.20 0.52 117.51 124.18 2qsj h ILE 113 Ca 0.12 -0.10 -0.18 0.00 1.00 0.00 0.00 64.86 65.70 2qsj h ILE 113 Cb -0.02 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 2qsj h ILE 113 CO -0.02 0.05 -0.75 0.45 0.00 0.00 0.00 178.15 177.88 2qsj h HIS 114 N 0.30 0.40 -0.53 1.37 3.86 -1.06 -1.06 115.15 118.42 2qsj h HIS 114 Ca 0.20 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2qsj h HIS 114 Cb 0.19 -0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 2qsj h HIS 114 CO -0.16 0.93 0.32 0.00 0.86 0.00 0.00 177.93 179.88 2qsj h ALA 115 N 1.01 0.68 -0.58 2.45 0.00 -0.49 -1.98 119.26 120.36 2qsj h ALA 115 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2qsj h ALA 115 Cb 1.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2qsj h ALA 115 CO 0.12 0.16 0.34 0.28 0.00 0.00 0.00 179.25 180.15 2qsj h VAL 116 N 0.71 1.18 -0.41 0.00 2.07 -0.61 -0.80 116.25 118.40 2qsj h VAL 116 Ca 0.19 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.35 2qsj h VAL 116 Cb -0.01 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 2qsj h VAL 116 CO -0.04 0.19 0.09 0.28 0.02 0.00 0.00 177.57 178.11 2qsj h SER 117 N 0.78 0.04 -0.55 0.57 0.02 -1.01 -2.11 113.55 111.29 2qsj h SER 117 Ca 0.21 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 61.13 2qsj h SER 117 Cb 0.00 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2qsj h SER 117 CO -0.04 0.06 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.63 2qsj h LEU 118 N 0.23 0.98 -0.53 5.07 3.38 -1.01 -2.53 115.31 120.90 2qsj h LEU 118 Ca 0.20 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2qsj h LEU 118 Cb 0.23 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qsj h LEU 118 CO -0.24 1.05 -0.19 0.40 0.09 0.00 0.00 178.44 179.54 2qsj h ILE 119 N 0.92 1.27 0.00 1.22 2.04 -0.81 0.35 117.51 122.49 2qsj h ILE 119 Ca 0.16 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.62 2qsj h ILE 119 Cb 0.55 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2qsj h ILE 119 CO 0.03 0.47 -0.24 -0.07 0.00 0.00 0.00 178.15 178.34 2qsj h LEU 120 N 0.86 0.00 -0.62 1.44 3.38 -1.26 -1.04 115.31 118.07 2qsj h LEU 120 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2qsj h LEU 120 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2qsj h LEU 120 CO 0.06 0.24 0.00 -0.62 0.09 0.00 0.00 178.44 178.21 2qsj n GLU 121 N -4.15 1.41 -0.45 1.13 -0.58 -0.79 -4.89 120.64 112.32 2qsj n GLU 121 Ca -0.02 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.11 2qsj n GLU 121 Cb 0.30 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 2qsj n GLU 121 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qsj n GLY 122 N 0.96 0.75 4.02 0.62 0.00 -0.39 -5.06 105.19 106.09 2qsj n GLY 122 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 2qsj n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qsj s GLU 123 N -0.55 2.10 -0.10 1.61 0.41 0.05 -5.00 118.70 117.20 2qsj s GLU 123 Ca 0.00 -1.42 0.01 0.00 -0.41 0.00 0.00 54.97 53.15 2qsj s GLU 123 Cb 0.00 -2.54 -0.02 0.00 -1.78 0.00 0.00 34.13 29.80 2qsj s GLU 123 CO 0.00 -1.05 -0.14 0.42 -0.49 0.00 0.00 175.26 174.00 2qsj s ILE 124 N -2.83 3.01 -0.16 -1.63 1.01 -1.26 -4.00 121.20 115.34 2qsj s ILE 124 Ca 0.63 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 60.50 2qsj s ILE 124 Cb -0.06 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2qsj s ILE 124 CO 0.41 0.55 0.12 0.12 0.00 0.00 0.00 174.94 176.13 2qsj s PHE 125 N 0.03 3.45 0.01 3.97 5.36 -1.22 -4.98 117.98 124.60 2qsj s PHE 125 Ca -0.05 0.37 0.01 0.00 -0.96 0.00 0.00 56.93 56.30 2qsj s PHE 125 Cb -0.14 -2.04 -0.01 0.00 -0.34 0.00 0.00 43.02 40.48 2qsj s PHE 125 CO 0.04 0.46 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.72 2qsj s LEU 126 N -0.24 2.06 0.66 6.12 1.43 -1.26 -1.22 118.68 126.23 2qsj s LEU 126 Ca 0.10 -0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 52.93 2qsj s LEU 126 Cb -0.12 -0.09 -0.01 0.00 0.03 0.00 0.00 46.19 46.00 2qsj s LEU 126 CO 0.01 -0.04 1.05 -2.16 0.23 0.00 0.00 176.35 175.44 2qsj s PRO 127 N -0.41 3.15 0.19 1.29 0.04 -1.25 -4.94 135.00 133.08 2qsj s PRO 127 Ca -0.03 0.94 -0.12 0.00 0.04 0.00 0.00 61.00 61.84 2qsj s PRO 127 Cb -0.03 -2.02 0.22 0.00 0.04 0.00 0.00 34.50 32.71 2qsj s PRO 127 CO -0.00 -0.93 1.73 -0.09 0.04 0.00 0.00 177.00 177.75 2qsj h ARG 128 N -0.44 0.31 0.00 4.56 2.43 -2.01 -2.66 114.38 116.57 2qsj h ARG 128 Ca -0.44 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2qsj h ARG 128 Cb 1.21 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2qsj h ARG 128 CO 0.58 0.21 0.00 0.43 -1.51 0.00 0.00 179.97 179.68 2qsj n SER 129 N -5.05 0.00 0.00 -3.80 7.64 -1.26 -5.26 113.62 105.89 2qsj n SER 129 Ca 0.07 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2qsj n SER 129 Cb 0.25 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2qsj n SER 129 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03