#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 4.78 -0.16 1.96 2.01 0.27 -4.96 115.64 119.54 2qsj s THR 2 Ca 0.00 1.71 0.01 0.00 0.31 0.00 0.00 61.69 63.72 2qsj s THR 2 Cb 0.00 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.37 2qsj s THR 2 CO 0.00 0.31 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.38 2qsj s VAL 3 N 0.25 1.75 -0.13 3.82 1.01 -1.26 0.29 120.40 126.13 2qsj s VAL 3 Ca 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2qsj s VAL 3 Cb -0.20 -1.61 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2qsj s VAL 3 CO 0.24 0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 175.00 2qsj s VAL 4 N 1.35 2.95 -0.28 2.92 1.01 -0.35 -0.07 120.40 127.93 2qsj s VAL 4 Ca 0.03 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2qsj s VAL 4 Cb -0.13 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 2qsj s VAL 4 CO -0.10 0.53 0.18 -0.22 0.00 0.00 0.00 175.10 175.48 2qsj s LEU 5 N 0.38 3.98 -0.20 3.92 2.96 -0.32 -1.38 118.68 128.02 2qsj s LEU 5 Ca -0.11 -0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.60 2qsj s LEU 5 Cb -0.16 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2qsj s LEU 5 CO 0.06 -0.07 0.18 -0.51 -1.32 0.00 0.00 176.35 174.69 2qsj s ILE 6 N 1.73 5.37 -0.39 6.68 2.07 0.16 -0.95 121.20 135.88 2qsj s ILE 6 Ca 0.07 0.29 0.02 0.00 -1.41 0.00 0.00 60.65 59.62 2qsj s ILE 6 Cb -0.16 -3.52 0.11 0.00 0.13 0.00 0.00 42.46 39.02 2qsj s ILE 6 CO 0.10 0.41 0.13 -0.69 -1.91 0.00 0.00 174.94 172.98 2qsj s VAL 7 N 0.50 2.61 -0.16 4.00 1.01 0.41 -0.60 120.40 128.16 2qsj s VAL 7 Ca 0.10 -2.46 -0.22 0.00 0.00 0.00 0.00 61.98 59.40 2qsj s VAL 7 Cb -0.12 -2.86 0.06 0.00 0.00 0.00 0.00 36.38 33.46 2qsj s VAL 7 CO 0.00 -0.66 0.58 -0.62 0.00 0.00 0.00 175.10 174.40 2qsj s ASP 8 N 0.91 -0.58 0.00 3.32 -1.08 -0.64 -0.97 116.67 117.64 2qsj s ASP 8 Ca 0.12 0.97 0.17 0.00 -0.52 0.00 0.00 52.55 53.28 2qsj s ASP 8 Cb -0.21 0.96 0.63 0.00 -1.46 0.00 0.00 42.92 42.84 2qsj s ASP 8 CO -0.06 -0.32 1.46 -0.90 0.52 0.00 0.00 175.17 175.87 2qsj n ASP 9 N 2.20 1.49 -4.30 -0.34 5.68 -1.25 -4.28 116.55 115.76 2qsj n ASP 9 Ca -0.16 -1.78 -0.33 0.00 -0.50 0.00 0.00 54.79 52.02 2qsj n ASP 9 Cb 0.56 -0.13 -0.15 0.00 -1.14 0.00 0.00 41.12 40.26 2qsj n ASP 9 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 2qsj s HIS 10 N -1.74 2.80 0.20 2.11 3.76 -1.26 -5.00 115.29 116.16 2qsj s HIS 10 Ca 0.28 -0.93 -0.11 0.00 -0.15 0.00 0.00 55.06 54.15 2qsj s HIS 10 Cb 0.15 -1.89 0.16 0.00 1.11 0.00 0.00 32.58 32.10 2qsj s HIS 10 CO 0.22 -0.41 1.83 1.25 -0.85 0.00 0.00 174.74 176.78 2qsj h HIS 11 N 7.21 0.73 -0.84 1.40 2.76 -2.00 -2.27 115.15 122.15 2qsj h HIS 11 Ca -0.31 0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.03 2qsj h HIS 11 Cb 1.19 -0.24 -0.10 0.00 1.55 0.00 0.00 27.41 29.82 2qsj h HIS 11 CO 0.51 0.42 0.41 1.25 -1.30 0.00 0.00 177.93 179.21 2qsj h LEU 12 N 0.76 0.45 -0.08 0.26 5.85 -1.98 0.17 115.31 120.75 2qsj h LEU 12 Ca 0.25 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.06 2qsj h LEU 12 Cb 0.02 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 2qsj h LEU 12 CO -0.10 0.17 -0.01 0.40 -0.34 0.00 0.00 178.44 178.55 2qsj h ILE 13 N 0.56 1.28 -0.56 4.05 1.08 -1.83 -0.65 117.51 121.44 2qsj h ILE 13 Ca 0.47 -0.90 -0.05 0.00 -0.39 0.00 0.00 64.86 63.99 2qsj h ILE 13 Cb 0.71 1.72 -0.02 0.00 -3.07 0.00 0.00 36.82 36.15 2qsj h ILE 13 CO -0.39 0.25 0.15 0.03 -0.69 0.00 0.00 178.15 177.49 2qsj h ARG 14 N -0.17 0.89 -0.26 2.37 3.08 -0.95 -1.55 114.38 117.80 2qsj h ARG 14 Ca 0.02 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.70 2qsj h ARG 14 Cb 0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2qsj h ARG 14 CO 0.01 0.82 -0.49 0.00 -1.07 0.00 0.00 179.97 179.25 2qsj h ALA 15 N 1.03 0.66 -0.34 0.04 0.00 -0.71 -1.31 119.26 118.63 2qsj h ALA 15 Ca 0.18 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qsj h ALA 15 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qsj h ALA 15 CO -0.00 0.68 0.20 0.78 0.00 0.00 0.00 179.25 180.91 2qsj h GLY 16 N 0.93 0.50 0.99 0.00 0.00 -0.99 -0.89 103.07 103.61 2qsj h GLY 16 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 2qsj h GLY 16 CO 0.10 0.20 0.26 0.00 0.00 0.00 0.00 176.54 177.10 2qsj h ALA 17 N 1.08 0.76 -0.32 3.60 0.00 -1.19 -0.61 119.26 122.58 2qsj h ALA 17 Ca 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qsj h ALA 17 Cb 0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2qsj h ALA 17 CO -0.02 0.35 0.19 -0.22 0.00 0.00 0.00 179.25 179.55 2qsj h LYS 18 N 0.80 0.44 0.06 0.00 3.64 -1.09 0.93 116.57 121.35 2qsj h LYS 18 Ca 0.20 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2qsj h LYS 18 Cb 0.17 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2qsj h LYS 18 CO -0.02 0.34 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.56 2qsj h ASN 19 N 0.41 -0.06 -0.08 4.20 2.35 -0.95 0.81 115.58 122.25 2qsj h ASN 19 Ca 0.11 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.57 2qsj h ASN 19 Cb 0.02 0.02 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 2qsj h ASN 19 CO -0.02 0.31 -0.30 0.25 -1.65 0.00 0.00 177.43 176.02 2qsj h LEU 20 N -0.44 -0.92 -0.27 1.61 5.85 -1.08 -1.66 115.31 118.40 2qsj h LEU 20 Ca -0.01 0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.64 2qsj h LEU 20 Cb 0.39 0.38 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 2qsj h LEU 20 CO 0.01 -0.35 -0.85 -0.07 -0.34 0.00 0.00 178.44 176.85 2qsj h LEU 21 N -0.40 0.53 -0.83 2.25 3.38 -0.79 -2.31 115.31 117.13 2qsj h LEU 21 Ca 0.08 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2qsj h LEU 21 Cb 0.53 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2qsj h LEU 21 CO -0.31 1.16 -0.57 -0.33 0.09 0.00 0.00 178.44 178.48 2qsj h GLU 22 N 0.26 0.00 0.00 1.13 5.08 -0.83 -2.43 114.58 117.79 2qsj h GLU 22 Ca -0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2qsj h GLU 22 Cb 1.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 2qsj h GLU 22 CO 0.15 0.57 -0.63 0.78 -1.00 0.00 0.00 179.01 178.88 2qsj h GLY 23 N 1.78 0.00 0.76 -3.84 0.00 -1.16 -3.33 103.07 97.28 2qsj h GLY 23 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 2qsj h GLY 23 CO 0.07 0.00 -1.46 0.00 0.00 0.00 0.00 176.54 175.15 2qsj n ALA 24 N -2.41 2.19 -2.56 3.60 0.00 -0.88 -4.87 120.51 115.58 2qsj n ALA 24 Ca -0.01 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.60 2qsj n ALA 24 Cb 0.63 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 19.02 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 -3.10 2.52 -0.07 0.00 0.08 -0.92 -5.06 117.98 111.42 2qsj s PHE 25 Ca -0.04 -0.46 -0.25 0.00 0.12 0.00 0.00 56.93 56.30 2qsj s PHE 25 Cb 0.09 -1.60 -0.20 0.00 -0.57 0.00 0.00 43.02 40.74 2qsj s PHE 25 CO 0.82 -0.04 0.96 0.66 -0.10 0.00 0.00 175.22 177.52 2qsj h SER 26 N 5.73 -0.05 -1.01 1.36 4.64 -1.88 -3.33 113.55 119.01 2qsj h SER 26 Ca -0.39 -0.61 -0.64 0.00 -0.47 0.00 0.00 61.79 59.69 2qsj h SER 26 Cb 1.16 0.01 -0.27 0.00 -0.31 0.00 0.00 62.40 62.99 2qsj h SER 26 CO 0.49 0.62 0.83 0.61 -0.87 0.00 0.00 176.83 178.51 2qsj n GLY 27 N 0.82 5.61 3.57 -0.77 0.00 -1.26 -4.96 105.19 108.20 2qsj n GLY 27 Ca -0.09 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.57 3.84 -0.13 1.61 0.00 -1.25 0.95 119.30 120.75 2qsj s MET 28 Ca 0.60 -0.41 0.03 0.00 0.00 0.00 0.00 55.69 55.90 2qsj s MET 28 Cb 0.47 -3.16 0.01 0.00 0.00 0.00 0.00 34.83 32.15 2qsj s MET 28 CO -0.04 0.18 -0.22 0.50 0.00 0.00 0.00 175.02 175.44 2qsj s ARG 29 N 0.59 3.05 -0.20 4.11 3.52 0.15 -4.71 118.95 125.45 2qsj s ARG 29 Ca 0.02 -0.85 -0.04 0.00 -0.13 0.00 0.00 55.73 54.73 2qsj s ARG 29 Cb -0.13 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 30.84 2qsj s ARG 29 CO 0.02 0.05 -0.05 0.08 -0.81 0.00 0.00 175.30 174.59 2qsj s VAL 30 N 0.66 3.45 0.22 7.11 1.01 -1.26 -1.21 120.40 130.38 2qsj s VAL 30 Ca -0.11 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.48 2qsj s VAL 30 Cb -0.16 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 2qsj s VAL 30 CO 0.02 0.44 -0.01 -1.61 0.00 0.00 0.00 175.10 173.94 2qsj s GLU 31 N 1.18 2.32 0.10 2.72 2.02 -0.48 -4.95 118.70 121.62 2qsj s GLU 31 Ca 0.02 -1.28 0.10 0.00 0.02 0.00 0.00 54.97 53.83 2qsj s GLU 31 Cb -0.14 -2.24 -0.04 0.00 0.10 0.00 0.00 34.13 31.81 2qsj s GLU 31 CO -0.01 0.40 -0.25 0.20 0.02 0.00 0.00 175.26 175.63 2qsj s GLY 32 N -3.33 1.42 0.04 -1.39 0.00 -1.26 -0.67 107.32 102.13 2qsj s GLY 32 Ca 0.29 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.67 2qsj s GLY 32 CO 0.19 -1.30 -0.03 0.00 0.00 0.00 0.00 173.10 171.96 2qsj s ALA 33 N -1.02 0.39 -0.14 3.20 0.00 0.23 -4.92 121.76 119.50 2qsj s ALA 33 Ca 0.11 -1.03 0.18 0.00 0.00 0.00 0.00 51.96 51.22 2qsj s ALA 33 Cb -0.10 0.24 -0.26 0.00 0.00 0.00 0.00 23.12 23.00 2qsj s ALA 33 CO 0.04 -0.31 0.18 0.39 0.00 0.00 0.00 175.76 176.07 2qsj n GLU 34 N 0.54 0.81 -4.28 0.00 1.02 -1.26 -1.62 120.64 115.85 2qsj n GLU 34 Ca -0.17 -0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 56.75 2qsj n GLU 34 Cb 0.59 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 2qsj n GLU 34 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2qsj s THR 35 N -2.75 1.20 0.23 2.62 -4.23 -1.26 -3.78 115.64 107.68 2qsj s THR 35 Ca -0.09 -2.07 -0.07 0.00 -1.18 0.00 0.00 61.69 58.28 2qsj s THR 35 Cb 0.08 -2.01 0.23 0.00 1.34 0.00 0.00 72.50 72.13 2qsj s THR 35 CO 0.80 -0.61 1.67 0.58 -0.54 0.00 0.00 174.62 176.52 2qsj h VAL 36 N 2.66 0.49 -0.63 2.29 2.07 -1.94 0.20 116.25 121.39 2qsj h VAL 36 Ca -0.37 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 2qsj h VAL 36 Cb 1.20 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2qsj h VAL 36 CO 0.64 0.04 0.17 -1.28 0.02 0.00 0.00 177.57 177.15 2qsj h SER 37 N 0.20 0.94 -0.59 0.57 0.87 -1.99 0.14 113.55 113.69 2qsj h SER 37 Ca 0.38 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 2qsj h SER 37 Cb 0.65 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2qsj h SER 37 CO -0.53 0.92 0.13 0.44 -0.53 0.00 0.00 176.83 177.25 2qsj h ASP 38 N 0.92 0.94 -0.59 6.23 3.32 -1.79 -1.72 116.42 123.73 2qsj h ASP 38 Ca 0.20 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 2qsj h ASP 38 Cb 0.33 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2qsj h ASP 38 CO -0.00 0.93 0.31 0.00 -1.72 0.00 0.00 179.24 178.75 2qsj h ALA 39 N 1.19 0.76 -0.63 3.45 0.00 0.11 -0.97 119.26 123.16 2qsj h ALA 39 Ca 0.20 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 2qsj h ALA 39 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2qsj h ALA 39 CO 0.01 0.29 0.03 -0.07 0.00 0.00 0.00 179.25 179.51 2qsj h LEU 40 N 0.80 1.05 -0.85 0.00 3.38 -0.49 -0.63 115.31 118.57 2qsj h LEU 40 Ca 0.21 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2qsj h LEU 40 Cb 0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 2qsj h LEU 40 CO -0.03 1.09 0.42 0.00 0.09 0.00 0.00 178.44 180.01 2qsj h ALA 41 N 1.02 1.10 -0.29 1.53 0.00 -1.16 -0.33 119.26 121.14 2qsj h ALA 41 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2qsj h ALA 41 Cb 0.53 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2qsj h ALA 41 CO 0.03 0.66 0.13 0.35 0.00 0.00 0.00 179.25 180.41 2qsj h PHE 42 N 1.21 0.24 -0.53 0.00 3.57 -0.70 -2.91 116.94 117.81 2qsj h PHE 42 Ca 0.29 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.75 2qsj h PHE 42 Cb 0.10 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 2qsj h PHE 42 CO 0.01 0.13 0.08 -0.07 -2.23 0.00 0.00 178.31 176.23 2qsj h LEU 43 N 0.28 0.80 -1.27 0.59 3.38 -0.75 -2.83 115.31 115.51 2qsj h LEU 43 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2qsj h LEU 43 Cb 0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2qsj h LEU 43 CO -0.10 0.82 0.42 -0.33 0.09 0.00 0.00 178.44 179.34 2qsj h GLU 44 N 0.80 0.92 -0.95 1.13 4.39 -0.94 -2.89 114.58 117.05 2qsj h GLU 44 Ca 0.17 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2qsj h GLU 44 Cb 0.37 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2qsj h GLU 44 CO 0.01 0.63 0.00 0.00 -1.16 0.00 0.00 179.01 178.49 2qsj n ALA 45 N -2.43 2.41 -1.00 3.43 0.00 -1.07 -4.72 120.51 117.13 2qsj n ALA 45 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2qsj n ALA 45 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2qsj n ALA 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qsj n ASP 46 N 0.09 -2.99 -4.65 0.00 8.00 -1.09 -5.00 116.55 110.90 2qsj n ASP 46 Ca 0.00 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.07 2qsj n ASP 46 Cb 0.26 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 40.84 2qsj n ASP 46 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2qsj s ASN 47 N -2.28 6.98 0.10 -2.24 0.01 -1.21 -5.01 114.94 111.30 2qsj s ASN 47 Ca 0.00 1.38 -0.07 0.00 -0.71 0.00 0.00 52.86 53.46 2qsj s ASN 47 Cb 0.00 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 2qsj s ASN 47 CO 0.00 -0.78 0.38 0.42 -1.51 0.00 0.00 177.10 175.61 2qsj s THR 48 N 3.50 5.15 0.06 1.60 -4.23 -1.26 -4.58 115.64 115.88 2qsj s THR 48 Ca 0.49 0.23 0.02 0.00 -1.18 0.00 0.00 61.69 61.24 2qsj s THR 48 Cb -0.16 -3.62 -0.03 0.00 1.34 0.00 0.00 72.50 70.02 2qsj s THR 48 CO 0.12 0.18 -0.07 0.68 -0.54 0.00 0.00 174.62 174.99 2qsj s VAL 49 N -1.51 0.54 -0.17 2.29 -7.23 -1.26 -4.88 120.40 108.18 2qsj s VAL 49 Ca 0.36 -1.44 0.19 0.00 -1.81 0.00 0.00 61.98 59.29 2qsj s VAL 49 Cb -0.13 -1.05 -0.08 0.00 0.56 0.00 0.00 36.38 35.68 2qsj s VAL 49 CO 0.21 -0.62 0.91 0.47 -0.31 0.00 0.00 175.10 175.76 2qsj n ASP 50 N 0.82 0.85 -3.62 4.85 8.00 0.90 -4.91 116.55 123.45 2qsj n ASP 50 Ca -0.18 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.54 2qsj n ASP 50 Cb 0.57 0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.88 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 -5.61 -0.67 -0.17 0.64 2.96 -1.13 -4.09 118.68 110.60 2qsj s LEU 51 Ca -0.02 1.24 -0.03 0.00 -0.22 0.00 0.00 54.13 55.10 2qsj s LEU 51 Cb 0.09 2.34 -0.02 0.00 0.50 0.00 0.00 46.19 49.10 2qsj s LEU 51 CO 0.80 -0.26 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.88 2qsj s ILE 52 N 0.17 3.45 -0.27 6.68 1.01 0.07 -1.18 121.20 131.13 2qsj s ILE 52 Ca -0.00 -0.50 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 2qsj s ILE 52 Cb -0.04 -2.52 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 2qsj s ILE 52 CO 0.00 0.47 0.23 -0.76 0.00 0.00 0.00 174.94 174.89 2qsj s LEU 53 N 0.81 4.04 -0.20 2.97 1.43 -0.12 -1.07 118.68 126.53 2qsj s LEU 53 Ca -0.02 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2qsj s LEU 53 Cb -0.15 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.89 2qsj s LEU 53 CO 0.01 -0.07 -0.14 -0.22 0.23 0.00 0.00 176.35 176.17 2qsj s LEU 54 N 1.75 2.52 0.59 1.79 2.96 0.03 -0.45 118.68 127.87 2qsj s LEU 54 Ca 0.09 -0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 53.16 2qsj s LEU 54 Cb -0.16 -1.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2qsj s LEU 54 CO 0.10 -0.03 1.26 -0.62 -1.32 0.00 0.00 176.35 175.74 2qsj s ASP 55 N 1.33 5.13 -0.08 3.68 2.15 -0.14 -0.86 116.67 127.88 2qsj s ASP 55 Ca 0.04 2.53 0.02 0.00 0.43 0.00 0.00 52.55 55.57 2qsj s ASP 55 Cb -0.14 -2.61 -0.02 0.00 -0.30 0.00 0.00 42.92 39.84 2qsj s ASP 55 CO -0.09 -1.65 -0.12 0.68 -0.17 0.00 0.00 175.17 173.82 2qsj s VAL 56 N -1.46 3.18 0.03 1.11 -7.23 -0.87 -4.87 120.40 110.30 2qsj s VAL 56 Ca 0.76 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 60.28 2qsj s VAL 56 Cb -0.35 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.30 2qsj s VAL 56 CO 0.38 0.57 0.00 0.00 -0.31 0.00 0.00 175.10 175.74 2qsj n ALA 63 N 2.74 2.70 0.07 1.32 0.00 -1.26 -5.06 120.51 121.02 2qsj n ALA 63 Ca -0.18 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 2qsj n ALA 63 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 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 1.39 -0.39 0.00 1.08 -1.99 -3.34 117.51 114.26 2qsj h ILE 64 Ca 0.00 -3.03 -0.02 0.00 -0.39 0.00 0.00 64.86 61.42 2qsj h ILE 64 Cb 0.00 2.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 2qsj h ILE 64 CO 0.00 0.79 0.15 -0.78 -0.69 0.00 0.00 178.15 177.62 2qsj h ASP 65 N 0.00 0.50 -0.07 1.72 3.58 -2.02 0.11 116.42 120.24 2qsj h ASP 65 Ca -0.05 -0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.38 2qsj h ASP 65 Cb 1.71 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 42.61 2qsj h ASP 65 CO 0.11 0.46 -0.07 1.23 -2.88 0.00 0.00 179.24 178.09 2qsj h GLY 66 N 0.71 -0.01 0.80 -0.78 0.00 -1.99 0.13 103.07 101.94 2qsj h GLY 66 Ca 0.14 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.58 2qsj h GLY 66 CO -0.01 -0.08 0.36 -2.00 0.00 0.00 0.00 176.54 174.80 2qsj h LEU 67 N -0.08 0.56 -0.45 3.11 5.85 -1.45 -0.48 115.31 122.37 2qsj h LEU 67 Ca 0.05 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2qsj h LEU 67 Cb 0.16 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2qsj h LEU 67 CO -0.12 0.38 0.16 0.58 -0.34 0.00 0.00 178.44 179.10 2qsj h VAL 68 N 0.69 1.21 -0.43 1.05 2.07 -0.48 -1.41 116.25 118.94 2qsj h VAL 68 Ca 0.26 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2qsj h VAL 68 Cb 0.08 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2qsj h VAL 68 CO -0.13 0.25 0.29 0.03 0.02 0.00 0.00 177.57 178.02 2qsj h ARG 69 N 0.58 0.57 -0.36 1.57 3.08 -0.08 0.16 114.38 119.91 2qsj h ARG 69 Ca 0.15 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 2qsj h ARG 69 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2qsj h ARG 69 CO -0.01 0.38 -0.18 -0.07 -1.07 0.00 0.00 179.97 179.01 2qsj h LEU 70 N 0.59 0.67 0.01 3.04 3.38 -0.84 -1.74 115.31 120.41 2qsj h LEU 70 Ca 0.16 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2qsj h LEU 70 Cb -0.07 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2qsj h LEU 70 CO -0.04 0.86 -0.00 0.11 0.09 0.00 0.00 178.44 179.46 2qsj h LYS 71 N 0.60 -0.01 -0.88 1.13 1.79 -1.10 -3.16 116.57 114.94 2qsj h LYS 71 Ca 0.09 0.00 0.21 0.00 -2.18 0.00 0.00 60.65 58.77 2qsj h LYS 71 Cb 0.65 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.14 2qsj h LYS 71 CO 0.05 0.42 -0.07 -0.09 -1.08 0.00 0.00 179.45 178.68 2qsj h ARG 72 N -0.45 0.04 -0.81 3.15 2.43 -0.83 -0.32 114.38 117.59 2qsj h ARG 72 Ca -0.00 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 2qsj h ARG 72 Cb 0.44 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 2qsj h ARG 72 CO 0.00 0.03 0.47 0.35 -1.51 0.00 0.00 179.97 179.30 2qsj h PHE 73 N 0.04 0.85 -0.52 2.20 3.57 -1.31 -3.42 116.94 118.36 2qsj h PHE 73 Ca 0.48 0.03 0.10 0.00 3.53 0.00 0.00 57.97 62.11 2qsj h PHE 73 Cb 0.86 -0.26 -0.19 0.00 2.79 0.00 0.00 35.95 39.15 2qsj h PHE 73 CO -0.54 0.36 -0.19 0.34 -2.23 0.00 0.00 178.31 176.05 2qsj s ASP 74 N -5.62 -0.82 0.00 0.41 -1.08 -0.24 -5.02 116.67 104.29 2qsj s ASP 74 Ca -0.12 -0.16 0.14 0.00 -0.52 0.00 0.00 52.55 51.88 2qsj s ASP 74 Cb 0.19 1.27 0.68 0.00 -1.46 0.00 0.00 42.92 43.59 2qsj s ASP 74 CO 0.78 -0.12 1.39 -2.65 0.52 0.00 0.00 175.17 175.08 2qsj n PRO 75 N 4.58 0.16 0.00 4.34 -0.02 -0.54 -1.90 135.00 141.62 2qsj n PRO 75 Ca 0.08 0.18 0.12 0.00 -2.02 0.00 0.00 63.50 61.86 2qsj n PRO 75 Cb 0.59 -1.50 0.57 0.00 -0.02 0.00 0.00 33.50 33.14 2qsj n PRO 75 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qsj n SER 76 N -1.33 0.00 -4.68 2.55 3.41 -1.26 -4.69 113.62 107.61 2qsj n SER 76 Ca 0.06 0.25 -0.39 0.00 -0.26 0.00 0.00 58.87 58.52 2qsj n SER 76 Cb 0.12 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 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 -2.81 6.69 0.27 4.04 0.02 -0.80 -5.06 114.94 117.29 2qsj s ASN 77 Ca 0.17 0.83 -0.30 0.00 -1.02 0.00 0.00 52.86 52.54 2qsj s ASN 77 Cb 0.16 -2.32 -0.11 0.00 0.02 0.00 0.00 41.25 39.00 2qsj s ASN 77 CO 0.42 -0.16 1.59 0.00 0.02 0.00 0.00 177.10 178.97 2qsj s ALA 78 N 1.36 3.76 -0.09 0.60 0.00 -1.26 -4.93 121.76 121.20 2qsj s ALA 78 Ca 0.28 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.77 2qsj s ALA 78 Cb -0.16 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.34 2qsj s ALA 78 CO 0.11 -0.93 -0.07 0.08 0.00 0.00 0.00 175.76 174.95 2qsj s VAL 79 N 0.25 0.93 -0.01 0.00 1.01 -1.26 -0.75 120.40 120.56 2qsj s VAL 79 Ca 0.65 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.44 2qsj s VAL 79 Cb -0.47 -0.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 2qsj s VAL 79 CO 0.44 0.34 -0.22 0.00 0.00 0.00 0.00 175.10 175.66 2qsj s ALA 80 N 1.50 2.38 0.33 5.51 0.00 -0.23 -0.32 121.76 130.93 2qsj s ALA 80 Ca 0.00 -1.11 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 2qsj s ALA 80 Cb -0.13 -0.69 -0.10 0.00 0.00 0.00 0.00 23.12 22.20 2qsj s ALA 80 CO -0.05 0.54 0.83 -0.51 0.00 0.00 0.00 175.76 176.57 2qsj s LEU 81 N -0.85 4.13 -0.53 0.00 1.43 -0.49 -0.79 118.68 121.57 2qsj s LEU 81 Ca 0.11 1.52 0.07 0.00 -1.03 0.00 0.00 54.13 54.80 2qsj s LEU 81 Cb -0.10 -4.11 0.27 0.00 0.03 0.00 0.00 46.19 42.28 2qsj s LEU 81 CO 0.01 -0.18 0.69 2.30 0.23 0.00 0.00 176.35 179.40 2qsj n ILE 82 N -0.08 1.23 0.07 -0.59 -5.35 -0.04 -0.58 119.36 114.03 2qsj n ILE 82 Ca 0.03 -4.81 -0.23 0.00 -0.27 0.00 0.00 62.75 57.47 2qsj n ILE 82 Cb 0.52 -1.85 -0.15 0.00 -1.74 0.00 0.00 39.64 36.43 2qsj n ILE 82 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 2qsj h HIS 88 N 3.91 0.70 -0.23 4.28 2.76 -2.00 -2.31 115.15 122.25 2qsj h HIS 88 Ca 0.14 -0.51 -0.03 0.00 -2.20 0.00 0.00 60.37 57.77 2qsj h HIS 88 Cb 0.74 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 2qsj h HIS 88 CO 0.60 1.58 0.01 1.49 -1.30 0.00 0.00 177.93 180.31 2qsj h GLU 89 N -0.04 0.40 0.26 5.26 4.57 -2.04 0.18 114.58 123.17 2qsj h GLU 89 Ca -0.29 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 57.77 2qsj h GLU 89 Cb 1.98 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 30.50 2qsj h GLU 89 CO 0.17 0.57 -0.37 1.25 -1.18 0.00 0.00 179.01 179.45 2qsj h LEU 90 N 0.18 -1.04 -0.54 1.64 5.85 -2.05 0.36 115.31 119.72 2qsj h LEU 90 Ca 0.07 0.10 0.11 0.00 0.84 0.00 0.00 57.88 59.00 2qsj h LEU 90 Cb 0.38 0.37 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 2qsj h LEU 90 CO 0.01 -0.49 -0.05 0.40 -0.34 0.00 0.00 178.44 177.98 2qsj h ILE 91 N -0.69 0.53 -0.20 4.05 2.04 -1.96 0.15 117.51 121.43 2qsj h ILE 91 Ca -0.00 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 2qsj h ILE 91 Cb 0.66 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2qsj h ILE 91 CO -0.13 0.01 0.11 -0.09 0.00 0.00 0.00 178.15 178.05 2qsj h ARG 92 N 0.07 0.28 -0.48 2.37 2.43 -0.09 -1.22 114.38 117.75 2qsj h ARG 92 Ca 0.27 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2qsj h ARG 92 Cb 0.42 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2qsj h ARG 92 CO -0.49 0.27 0.28 0.00 -1.51 0.00 0.00 179.97 178.52 2qsj h ALA 93 N 0.99 0.61 -0.16 2.80 0.00 0.38 -2.33 119.26 121.55 2qsj h ALA 93 Ca 0.07 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2qsj h ALA 93 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2qsj h ALA 93 CO -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 179.25 179.14 2qsj h ALA 94 N 1.22 0.07 -0.99 0.00 0.00 -0.44 -2.13 119.26 117.00 2qsj h ALA 94 Ca 0.19 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2qsj h ALA 94 Cb 0.03 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2qsj h ALA 94 CO -0.10 -0.51 0.64 -0.07 0.00 0.00 0.00 179.25 179.22 2qsj h LEU 95 N -0.04 1.14 -1.35 0.00 3.38 -1.05 -1.41 115.31 115.97 2qsj h LEU 95 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2qsj h LEU 95 Cb 0.17 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2qsj h LEU 95 CO -0.19 0.84 0.07 -0.33 0.09 0.00 0.00 178.44 178.92 2qsj h GLU 96 N 1.34 0.50 -0.00 1.13 5.08 -0.90 -0.84 114.58 120.90 2qsj h GLU 96 Ca 0.36 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2qsj h GLU 96 Cb -0.13 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2qsj h GLU 96 CO -0.08 0.48 0.00 0.00 -1.00 0.00 0.00 179.01 178.41 2qsj n ALA 97 N -2.48 2.67 -0.25 3.43 0.00 -0.79 -4.89 120.51 118.20 2qsj n ALA 97 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2qsj n ALA 97 Cb 0.19 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 0.96 0.96 3.77 0.00 0.00 -0.32 -4.86 105.19 105.70 2qsj n GLY 98 Ca 0.22 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2qsj n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qsj s ALA 99 N -2.00 3.30 -1.51 4.61 0.00 -0.60 -4.78 121.76 120.77 2qsj s ALA 99 Ca 0.00 1.30 0.20 0.00 0.00 0.00 0.00 51.96 53.46 2qsj s ALA 99 Cb 0.00 -3.51 0.62 0.00 0.00 0.00 0.00 23.12 20.23 2qsj s ALA 99 CO 0.00 -0.90 1.53 -0.25 0.00 0.00 0.00 175.76 176.14 2qsj n ASP 100 N 0.14 4.09 0.00 0.00 8.00 0.56 -4.70 116.55 124.64 2qsj n ASP 100 Ca 0.03 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.36 2qsj n ASP 100 Cb 0.43 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.28 2.23 2.89 0.44 0.00 -1.26 -3.65 105.19 107.12 2qsj n GLY 101 Ca 0.23 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.72 -0.22 1.61 5.36 -0.00 -1.40 117.98 120.61 2qsj s PHE 102 Ca 0.00 0.73 -0.02 0.00 -0.96 0.00 0.00 56.93 56.68 2qsj s PHE 102 Cb 0.00 -0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.64 2qsj s PHE 102 CO 0.00 -0.69 -0.08 0.42 -1.46 0.00 0.00 175.22 173.41 2qsj s ILE 103 N 2.50 2.99 0.48 3.12 1.01 0.26 -3.90 121.20 127.67 2qsj s ILE 103 Ca 0.11 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.81 2qsj s ILE 103 Cb -0.15 -2.39 -0.08 0.00 0.01 0.00 0.00 42.46 39.85 2qsj s ILE 103 CO -0.15 0.39 1.20 -2.65 0.00 0.00 0.00 174.94 173.72 2qsj n PRO 104 N 4.73 1.62 0.25 2.79 -0.02 -1.26 -4.20 135.00 138.91 2qsj n PRO 104 Ca -0.18 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.03 2qsj n PRO 104 Cb 0.50 -2.33 0.45 0.00 -0.02 0.00 0.00 33.50 32.10 2qsj n PRO 104 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2qsj h LYS 105 N 1.60 0.00 0.00 -0.52 1.57 -1.97 -3.05 116.57 114.20 2qsj h LYS 105 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2qsj h LYS 105 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 2qsj h LYS 105 CO 0.57 0.02 0.00 0.66 -0.57 0.00 0.00 179.45 180.13 2qsj h SER 106 N 0.00 0.00 -4.00 0.86 4.64 -2.03 -3.47 113.55 109.56 2qsj h SER 106 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2qsj h SER 106 Cb 0.74 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.93 2qsj h SER 106 CO 0.00 0.00 0.60 0.00 -0.87 0.00 0.00 176.83 176.57 2qsj s ALA 107 N -3.41 3.06 0.68 5.18 0.00 -1.16 -5.00 121.76 121.11 2qsj s ALA 107 Ca 0.04 1.25 -0.11 0.00 0.00 0.00 0.00 51.96 53.14 2qsj s ALA 107 Cb 0.09 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 2qsj s ALA 107 CO 0.53 -1.03 1.05 0.16 0.00 0.00 0.00 175.76 176.47 2qsj s ASP 108 N -0.88 5.64 0.34 0.00 -4.77 -1.26 -4.80 116.67 110.93 2qsj s ASP 108 Ca 0.63 1.48 0.12 0.00 -3.30 0.00 0.00 52.55 51.49 2qsj s ASP 108 Cb -0.38 -2.41 1.05 0.00 -1.09 0.00 0.00 42.92 40.09 2qsj s ASP 108 CO 0.47 -1.26 1.61 -0.65 0.70 0.00 0.00 175.17 176.05 2qsj h PRO 109 N -0.59 0.13 -0.45 2.11 0.11 -1.99 -0.94 132.00 130.37 2qsj h PRO 109 Ca -0.44 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 2qsj h PRO 109 Cb 1.21 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2qsj h PRO 109 CO 0.59 0.08 -0.05 1.96 -0.21 0.00 0.00 178.00 180.38 2qsj h GLN 110 N 0.13 0.83 -0.30 1.05 1.08 -1.99 -1.40 115.11 114.51 2qsj h GLN 110 Ca 0.72 -0.29 0.02 0.00 -1.45 0.00 0.00 58.65 57.65 2qsj h GLN 110 Cb 1.70 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 29.04 2qsj h GLN 110 CO -0.73 0.92 0.13 0.28 -0.95 0.00 0.00 178.83 178.47 2qsj h VAL 111 N 0.67 0.96 -0.47 -0.54 2.07 -1.53 -1.14 116.25 116.28 2qsj h VAL 111 Ca 0.12 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.57 2qsj h VAL 111 Cb 0.57 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2qsj h VAL 111 CO 0.03 0.05 0.28 0.25 0.02 0.00 0.00 177.57 178.20 2qsj h LEU 112 N 0.28 0.45 -0.54 2.57 5.85 -1.28 0.25 115.31 122.89 2qsj h LEU 112 Ca 0.13 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 2qsj h LEU 112 Cb 0.06 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2qsj h LEU 112 CO -0.10 0.32 0.32 0.40 -0.34 0.00 0.00 178.44 179.03 2qsj h ILE 113 N 0.55 1.17 0.04 4.05 2.04 -1.03 -0.47 117.51 123.85 2qsj h ILE 113 Ca 0.19 -0.38 -0.23 0.00 1.00 0.00 0.00 64.86 65.44 2qsj h ILE 113 Cb 0.02 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2qsj h ILE 113 CO -0.09 0.17 -1.05 0.45 0.00 0.00 0.00 178.15 177.63 2qsj h HIS 114 N 0.72 0.16 -0.54 1.37 3.86 -0.94 -1.81 115.15 117.96 2qsj h HIS 114 Ca 0.19 -0.11 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2qsj h HIS 114 Cb -0.00 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 2qsj h HIS 114 CO -0.02 1.07 0.16 0.00 0.86 0.00 0.00 177.93 180.00 2qsj h ALA 115 N 0.89 0.71 -0.18 2.45 0.00 -0.43 -1.16 119.26 121.55 2qsj h ALA 115 Ca -0.05 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2qsj h ALA 115 Cb 1.79 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2qsj h ALA 115 CO 0.15 0.38 0.11 0.28 0.00 0.00 0.00 179.25 180.17 2qsj h VAL 116 N 0.76 1.08 -0.16 0.00 2.07 -0.99 0.00 116.25 119.02 2qsj h VAL 116 Ca 0.17 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.54 2qsj h VAL 116 Cb 0.29 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2qsj h VAL 116 CO -0.00 0.08 -0.29 0.28 0.02 0.00 0.00 177.57 177.65 2qsj h SER 117 N 0.20 -0.90 0.06 0.57 0.02 -1.10 0.15 113.55 112.56 2qsj h SER 117 Ca 0.06 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2qsj h SER 117 Cb 0.03 0.39 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2qsj h SER 117 CO -0.01 -0.33 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.10 2qsj h LEU 118 N -0.35 -0.50 -1.17 5.07 3.38 -1.06 -1.40 115.31 119.28 2qsj h LEU 118 Ca 0.11 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2qsj h LEU 118 Cb 0.51 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 2qsj h LEU 118 CO -0.35 -0.25 0.57 0.40 0.09 0.00 0.00 178.44 178.90 2qsj h ILE 119 N -0.32 1.11 0.00 1.22 2.04 -0.73 -0.30 117.51 120.52 2qsj h ILE 119 Ca 0.04 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 2qsj h ILE 119 Cb 0.36 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2qsj h ILE 119 CO -0.13 0.19 -0.19 -0.07 0.00 0.00 0.00 178.15 177.95 2qsj h LEU 120 N 1.05 0.00 -0.93 1.44 3.38 0.14 -2.12 115.31 118.26 2qsj h LEU 120 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2qsj h LEU 120 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2qsj h LEU 120 CO -0.12 0.19 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 2qsj n GLU 121 N -3.73 1.60 -0.29 1.13 1.02 -0.23 -4.92 120.64 115.23 2qsj n GLU 121 Ca -0.02 -0.92 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 2qsj n GLU 121 Cb 0.30 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 2qsj n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qsj n GLY 122 N 1.03 0.67 3.98 0.62 0.00 -0.80 -5.06 105.19 105.64 2qsj n GLY 122 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.71 1.26 -0.04 1.61 0.41 -0.60 -4.99 118.70 115.64 2qsj s GLU 123 Ca 0.00 -1.06 0.05 0.00 -0.41 0.00 0.00 54.97 53.55 2qsj s GLU 123 Cb 0.00 -2.20 -0.01 0.00 -1.78 0.00 0.00 34.13 30.14 2qsj s GLU 123 CO 0.00 -1.80 -0.20 0.42 -0.49 0.00 0.00 175.26 173.19 2qsj s ILE 124 N -3.37 1.61 -0.15 -1.63 1.01 -1.26 -3.94 121.20 113.47 2qsj s ILE 124 Ca 0.70 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2qsj s ILE 124 Cb -0.04 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2qsj s ILE 124 CO 0.47 0.46 -0.02 0.12 0.00 0.00 0.00 174.94 175.96 2qsj s PHE 125 N -0.13 3.06 0.07 3.97 5.36 -1.24 -4.93 117.98 124.14 2qsj s PHE 125 Ca -0.01 -0.19 0.04 0.00 -0.96 0.00 0.00 56.93 55.81 2qsj s PHE 125 Cb -0.11 -1.94 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 2qsj s PHE 125 CO 0.02 0.05 -0.12 -0.51 -1.46 0.00 0.00 175.22 173.21 2qsj s LEU 126 N 0.18 2.31 0.51 6.12 1.43 -1.26 -0.82 118.68 127.15 2qsj s LEU 126 Ca -0.01 -0.67 -0.20 0.00 -1.03 0.00 0.00 54.13 52.22 2qsj s LEU 126 Cb -0.14 -0.38 -0.07 0.00 0.03 0.00 0.00 46.19 45.63 2qsj s LEU 126 CO 0.02 -0.16 1.09 -2.84 0.23 0.00 0.00 176.35 174.69 2qsj s PRO 127 N -2.04 3.61 0.39 1.29 0.02 -1.25 -4.94 135.00 132.08 2qsj s PRO 127 Ca -0.01 1.50 0.11 0.00 0.02 0.00 0.00 61.00 62.62 2qsj s PRO 127 Cb -0.08 -2.08 0.81 0.00 0.02 0.00 0.00 34.50 33.17 2qsj s PRO 127 CO 0.01 -0.62 1.90 0.07 -0.33 0.00 0.00 177.00 178.04 2qsj h ARG 128 N 1.44 0.13 -0.88 5.54 0.11 -1.98 -2.31 114.38 116.43 2qsj h ARG 128 Ca -0.50 -0.03 0.17 0.00 0.10 0.00 0.00 59.98 59.72 2qsj h ARG 128 Cb 1.24 -0.02 -0.16 0.00 1.11 0.00 0.00 29.97 32.14 2qsj h ARG 128 CO 0.58 0.34 -0.26 0.66 0.10 0.00 0.00 179.97 181.39 2qsj h SER 129 N 0.12 -0.96 -0.04 0.08 4.64 -2.05 0.60 113.55 115.95 2qsj h SER 129 Ca 0.02 0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.60 2qsj h SER 129 Cb 0.45 0.59 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2qsj h SER 129 CO 0.03 -0.29 0.00 0.22 -0.87 0.00 0.00 176.83 175.92 2qsj h TYR 130 N -0.02 0.11 -0.02 4.77 3.20 -1.80 -3.52 116.97 119.69 2qsj h TYR 130 Ca 0.39 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.26 2qsj h TYR 130 Cb 0.63 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2qsj h TYR 130 CO -0.72 0.12 0.00 1.28 -1.64 0.00 0.00 178.16 177.20