#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxx s LEU 2 N 0.00 4.26 0.27 4.03 2.96 -1.26 -0.69 118.68 128.24 2qxx s LEU 2 Ca 0.00 0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 54.13 2qxx s LEU 2 Cb 0.00 -2.35 -0.10 0.00 0.50 0.00 0.00 46.19 44.24 2qxx s LEU 2 CO 0.00 0.13 1.37 -0.76 -1.32 0.00 0.00 176.35 175.77 2qxx s LEU 3 N 0.30 4.41 0.65 -0.68 1.43 -0.10 -4.98 118.68 119.70 2qxx s LEU 3 Ca 0.16 2.62 -0.06 0.00 -1.03 0.00 0.00 54.13 55.83 2qxx s LEU 3 Cb -0.13 -3.63 0.04 0.00 0.03 0.00 0.00 46.19 42.50 2qxx s LEU 3 CO 0.04 -0.61 0.95 -0.94 0.23 0.00 0.00 176.35 176.02 2qxx s SER 4 N 0.07 5.16 0.22 2.29 1.04 -1.26 -4.50 113.70 116.72 2qxx s SER 4 Ca 0.55 0.52 -0.15 0.00 0.48 0.00 0.00 55.95 57.35 2qxx s SER 4 Cb -0.40 -1.33 0.25 0.00 0.10 0.00 0.00 66.02 64.64 2qxx s SER 4 CO 0.46 -1.35 1.59 -2.24 0.98 0.00 0.00 173.24 172.67 2qxx h ASP 5 N -0.38 -0.99 0.11 7.02 3.04 -1.38 0.11 116.42 123.95 2qxx h ASP 5 Ca -0.45 0.25 -0.09 0.00 -3.24 0.00 0.00 57.03 53.50 2qxx h ASP 5 Cb 1.29 0.56 -0.01 0.00 -1.04 0.00 0.00 39.33 40.13 2qxx h ASP 5 CO 0.60 -0.28 -0.31 0.08 -2.04 0.00 0.00 179.24 177.29 2qxx h ARG 6 N -0.06 0.31 -0.03 4.15 0.11 -1.90 -0.32 114.38 116.65 2qxx h ARG 6 Ca 0.33 -0.12 -0.21 0.00 0.10 0.00 0.00 59.98 60.07 2qxx h ARG 6 Cb 0.57 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.64 2qxx h ARG 6 CO -0.80 0.59 -0.87 -0.44 0.10 0.00 0.00 179.97 178.55 2qxx h ASP 7 N 0.27 0.52 -0.04 0.08 3.32 -1.48 -1.70 116.42 117.38 2qxx h ASP 7 Ca 0.04 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2qxx h ASP 7 Cb 0.69 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 2qxx h ASP 7 CO 0.05 1.17 0.02 -0.07 -1.72 0.00 0.00 179.24 178.69 2qxx h LEU 8 N 0.25 0.03 -0.83 1.55 3.38 -0.50 -0.64 115.31 118.55 2qxx h LEU 8 Ca -0.06 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.01 2qxx h LEU 8 Cb 1.49 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.15 2qxx h LEU 8 CO 0.15 0.03 0.47 0.03 0.09 0.00 0.00 178.44 179.20 2qxx h ARG 9 N 0.04 0.74 -0.42 1.13 3.08 -1.01 -1.28 114.38 116.66 2qxx h ARG 9 Ca 0.01 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.91 2qxx h ARG 9 Cb -0.00 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2qxx h ARG 9 CO -0.01 0.49 -0.18 0.00 -1.07 0.00 0.00 179.97 179.20 2qxx h ALA 10 N 1.48 0.58 -0.45 0.04 0.00 -1.00 0.22 119.26 120.13 2qxx h ALA 10 Ca 0.41 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qxx h ALA 10 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2qxx h ALA 10 CO -0.27 0.53 0.21 0.93 0.00 0.00 0.00 179.25 180.65 2qxx h GLU 11 N 0.68 0.62 -0.01 0.00 4.39 -0.64 -2.30 114.58 117.32 2qxx h GLU 11 Ca 0.09 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2qxx h GLU 11 Cb 0.74 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.27 2qxx h GLU 11 CO 0.06 0.49 -0.42 0.82 -1.16 0.00 0.00 179.01 178.80 2qxx h ILE 12 N 0.63 1.47 0.00 3.13 2.04 -0.91 -1.90 117.51 121.97 2qxx h ILE 12 Ca 0.16 -1.98 -0.03 0.00 1.00 0.00 0.00 64.86 64.00 2qxx h ILE 12 Cb 0.08 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2qxx h ILE 12 CO -0.02 0.56 -0.16 0.77 0.00 0.00 0.00 178.15 179.30 2qxx h SER 13 N -0.27 0.00 0.57 1.72 4.64 -0.89 -2.49 113.55 116.84 2qxx h SER 13 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2qxx h SER 13 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2qxx h SER 13 CO 0.08 0.16 -0.27 -1.54 -0.87 0.00 0.00 176.83 174.39 2qxx n SER 14 N -3.35 0.42 -0.19 4.97 3.41 -0.87 -4.95 113.62 113.06 2qxx n SER 14 Ca -0.00 -0.19 -0.03 0.00 -0.26 0.00 0.00 58.87 58.39 2qxx n SER 14 Cb 0.38 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 2qxx n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qxx n GLY 15 N 1.44 0.58 0.07 5.00 0.00 -0.94 -4.93 105.19 106.40 2qxx n GLY 15 Ca 0.08 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 2qxx n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qxx h ARG 16 N 0.08 0.03 -4.82 1.61 3.08 -1.61 -3.44 114.38 109.31 2qxx h ARG 16 Ca -0.05 -0.04 -0.62 0.00 0.07 0.00 0.00 59.98 59.34 2qxx h ARG 16 Cb 0.18 0.02 -0.35 0.00 0.08 0.00 0.00 29.97 29.89 2qxx h ARG 16 CO 0.08 0.90 -0.84 -1.17 -1.07 0.00 0.00 179.97 177.86 2qxx s LEU 17 N -6.60 1.81 -0.14 3.04 2.96 -0.88 -3.34 118.68 115.54 2qxx s LEU 17 Ca -0.01 -0.50 -0.15 0.00 -0.22 0.00 0.00 54.13 53.25 2qxx s LEU 17 Cb 0.09 -1.22 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 2qxx s LEU 17 CO 0.83 -0.00 0.34 -0.83 -1.32 0.00 0.00 176.35 175.36 2qxx s GLY 18 N 1.19 2.27 -0.11 7.98 0.00 0.24 -4.25 107.32 114.64 2qxx s GLY 18 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 44.72 44.32 2qxx s GLY 18 CO -0.06 0.47 -0.03 -0.42 0.00 0.00 0.00 173.10 173.06 2qxx s ILE 19 N 0.35 0.71 -0.14 0.90 1.01 -1.26 -0.85 121.20 121.93 2qxx s ILE 19 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.64 2qxx s ILE 19 Cb -0.14 -0.86 0.04 0.00 0.01 0.00 0.00 42.46 41.52 2qxx s ILE 19 CO 0.06 0.23 0.01 -0.62 0.00 0.00 0.00 174.94 174.62 2qxx s ASP 20 N 1.83 2.32 0.45 3.58 2.15 -0.09 -2.80 116.67 124.11 2qxx s ASP 20 Ca 0.04 -0.48 -0.21 0.00 0.43 0.00 0.00 52.55 52.33 2qxx s ASP 20 Cb -0.13 -0.57 -0.10 0.00 -0.30 0.00 0.00 42.92 41.82 2qxx s ASP 20 CO -0.07 -0.24 1.00 -2.16 -0.17 0.00 0.00 175.17 173.53 2qxx s PRO 21 N 1.88 4.02 -0.18 4.34 0.04 -1.26 -0.09 135.00 143.76 2qxx s PRO 21 Ca 0.02 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.27 2qxx s PRO 21 Cb -0.15 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2qxx s PRO 21 CO -0.07 -0.23 0.05 0.12 0.04 0.00 0.00 177.00 176.91 2qxx s PHE 22 N -2.02 3.22 -0.19 0.56 5.36 -1.12 -4.88 117.98 118.91 2qxx s PHE 22 Ca 0.64 0.02 0.01 0.00 -0.96 0.00 0.00 56.93 56.63 2qxx s PHE 22 Cb -0.14 -2.06 0.04 0.00 -0.34 0.00 0.00 43.02 40.52 2qxx s PHE 22 CO 0.18 0.13 -0.09 0.34 -1.46 0.00 0.00 175.22 174.32 2qxx s ASP 23 N 0.36 3.31 0.60 6.13 -1.08 -1.26 -5.01 116.67 119.72 2qxx s ASP 23 Ca 0.02 -0.86 0.34 0.00 -0.52 0.00 0.00 52.55 51.53 2qxx s ASP 23 Cb -0.13 -1.17 1.94 0.00 -1.46 0.00 0.00 42.92 42.11 2qxx s ASP 23 CO 0.01 -0.16 2.26 -0.78 0.52 0.00 0.00 175.17 177.02 2qxx h ASP 24 N 8.00 0.00 0.48 -0.34 3.58 -2.00 -1.25 116.42 124.89 2qxx h ASP 24 Ca -0.26 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.19 2qxx h ASP 24 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2qxx h ASP 24 CO 0.46 0.02 0.00 0.35 -2.88 0.00 0.00 179.24 177.19 2qxx n THR 25 N -3.57 0.62 1.07 2.25 -2.24 -1.26 -2.34 114.28 108.81 2qxx n THR 25 Ca -0.03 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 2qxx n THR 25 Cb 0.11 -0.85 0.16 0.00 -2.10 0.00 0.00 70.33 67.64 2qxx n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qxx n LEU 26 N -1.40 1.08 -4.75 3.22 4.32 -0.47 -4.91 117.00 114.08 2qxx n LEU 26 Ca 0.06 -0.34 -0.40 0.00 -0.02 0.00 0.00 56.01 55.31 2qxx n LEU 26 Cb 0.18 -0.11 -0.04 0.00 -1.62 0.00 0.00 43.42 41.83 2qxx n LEU 26 CO 0.15 0.22 0.77 -0.69 -1.22 0.00 0.00 177.39 176.63 2qxx s VAL 27 N -2.74 3.68 0.42 4.08 1.01 -0.99 -1.34 120.40 124.51 2qxx s VAL 27 Ca 0.16 1.62 0.03 0.00 0.00 0.00 0.00 61.98 63.80 2qxx s VAL 27 Cb 0.18 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2qxx s VAL 27 CO 0.66 0.36 0.06 -1.10 0.00 0.00 0.00 175.10 175.08 2qxx s GLN 28 N -1.13 1.94 0.47 2.72 -1.52 0.22 -4.93 119.66 117.42 2qxx s GLN 28 Ca 0.45 -2.16 0.25 0.00 -1.95 0.00 0.00 55.36 51.95 2qxx s GLN 28 Cb -0.30 -1.04 1.29 0.00 -0.22 0.00 0.00 33.01 32.74 2qxx s GLN 28 CO 0.38 -0.32 1.83 -1.35 -0.25 0.00 0.00 175.29 175.58 2qxx h PRO 29 N 1.75 0.20 0.00 2.91 0.11 -1.98 -3.11 132.00 131.89 2qxx h PRO 29 Ca -0.40 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2qxx h PRO 29 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qxx h PRO 29 CO 0.67 0.13 0.00 0.45 -0.21 0.00 0.00 178.00 179.05 2qxx n SER 30 N -4.41 0.03 -3.43 -2.05 2.88 -1.26 -1.54 113.62 103.83 2qxx n SER 30 Ca 0.22 -1.01 -0.04 0.00 -1.33 0.00 0.00 58.87 56.71 2qxx n SER 30 Cb 0.93 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.39 2qxx n SER 30 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2qxx s SER 31 N -0.01 -0.04 -0.06 -3.46 1.04 -1.17 -4.62 113.70 105.37 2qxx s SER 31 Ca 0.00 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.81 2qxx s SER 31 Cb 0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.66 2qxx s SER 31 CO 0.00 -1.01 -0.08 -0.51 0.98 0.00 0.00 173.24 172.61 2qxx s ILE 32 N -2.48 0.84 0.35 -1.02 2.07 0.57 0.71 121.20 122.25 2qxx s ILE 32 Ca 0.19 -0.30 -0.28 0.00 -1.41 0.00 0.00 60.65 58.84 2qxx s ILE 32 Cb -0.02 -0.81 -0.10 0.00 0.13 0.00 0.00 42.46 41.66 2qxx s ILE 32 CO 0.05 0.29 1.31 -1.81 -1.91 0.00 0.00 174.94 172.88 2qxx s ASP 33 N 0.81 6.66 0.29 4.50 1.01 -0.45 0.22 116.67 129.71 2qxx s ASP 33 Ca -0.12 2.70 0.10 0.00 0.71 0.00 0.00 52.55 55.93 2qxx s ASP 33 Cb -0.15 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.08 2qxx s ASP 33 CO 0.02 -0.62 -0.14 0.68 0.21 0.00 0.00 175.17 175.32 2qxx s VAL 34 N -1.17 2.18 0.19 -1.27 -7.23 -0.33 -4.87 120.40 107.91 2qxx s VAL 34 Ca 0.51 -2.28 0.10 0.00 -1.81 0.00 0.00 61.98 58.50 2qxx s VAL 34 Cb -0.40 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 2qxx s VAL 34 CO 0.53 -0.36 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.61 2qxx s ARG 35 N -3.59 1.44 0.03 4.82 0.52 -1.26 -1.15 118.95 119.77 2qxx s ARG 35 Ca 0.29 -1.51 -0.29 0.00 -0.52 0.00 0.00 55.73 53.70 2qxx s ARG 35 Cb -0.01 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.77 2qxx s ARG 35 CO 0.14 0.34 0.94 -1.17 0.02 0.00 0.00 175.30 175.58 2qxx s LEU 36 N -2.75 4.41 0.00 2.53 2.96 -0.02 0.81 118.68 126.62 2qxx s LEU 36 Ca 0.20 1.66 -0.08 0.00 -0.22 0.00 0.00 54.13 55.69 2qxx s LEU 36 Cb -0.07 -3.53 0.11 0.00 0.50 0.00 0.00 46.19 43.21 2qxx s LEU 36 CO 0.09 -0.17 0.61 -0.67 -1.32 0.00 0.00 176.35 174.89 2qxx n ASP 37 N 3.46 -0.19 -1.46 3.68 -0.08 0.37 0.61 116.55 122.95 2qxx n ASP 37 Ca 0.04 -1.16 0.09 0.00 -1.51 0.00 0.00 54.79 52.25 2qxx n ASP 37 Cb 0.50 -0.48 0.33 0.00 2.34 0.00 0.00 41.12 43.82 2qxx n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qxx s LEU 39 N -1.87 2.60 0.03 0.00 1.43 -1.26 -4.12 118.68 115.50 2qxx s LEU 39 Ca 0.48 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 2qxx s LEU 39 Cb 0.31 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.90 2qxx s LEU 39 CO 0.23 0.07 -0.14 -0.36 0.23 0.00 0.00 176.35 176.37 2qxx s PHE 40 N 0.93 1.24 -0.18 0.29 0.40 -0.40 -3.80 117.98 116.46 2qxx s PHE 40 Ca -0.03 -0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 55.95 2qxx s PHE 40 Cb -0.15 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 2qxx s PHE 40 CO -0.01 0.03 -0.10 1.03 0.70 0.00 0.00 175.22 176.87 2qxx s ARG 41 N -1.06 3.31 -0.07 0.44 0.52 0.97 0.36 118.95 123.41 2qxx s ARG 41 Ca 0.02 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 2qxx s ARG 41 Cb -0.08 -2.79 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 2qxx s ARG 41 CO 0.01 -0.04 -0.05 0.14 0.02 0.00 0.00 175.30 175.38 2qxx s VAL 42 N 1.02 3.87 -1.13 3.52 -7.23 -0.34 -1.88 120.40 118.23 2qxx s VAL 42 Ca -0.01 -0.42 -0.18 0.00 -1.81 0.00 0.00 61.98 59.55 2qxx s VAL 42 Cb -0.15 -2.60 0.10 0.00 0.56 0.00 0.00 36.38 34.30 2qxx s VAL 42 CO -0.02 0.59 1.46 -0.36 -0.31 0.00 0.00 175.10 176.47 2qxx s PHE 43 N -0.84 2.96 -0.18 2.82 0.40 -1.26 -1.49 117.98 120.38 2qxx s PHE 43 Ca 0.13 -1.50 0.15 0.00 -0.60 0.00 0.00 56.93 55.11 2qxx s PHE 43 Cb -0.11 -4.54 0.44 0.00 0.51 0.00 0.00 43.02 39.32 2qxx s PHE 43 CO 0.02 -1.68 1.19 0.27 0.70 0.00 0.00 175.22 175.72 2qxx n ASN 44 N 7.47 2.23 -4.77 1.36 6.94 -1.25 -5.05 115.26 122.20 2qxx n ASN 44 Ca 0.37 -3.21 -0.39 0.00 -0.02 0.00 0.00 54.58 51.32 2qxx n ASN 44 Cb 0.47 -0.43 -0.06 0.00 -2.36 0.00 0.00 39.78 37.40 2qxx n ASN 44 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2qxx s ASN 45 N -3.10 7.50 -0.10 0.53 3.84 -1.25 -4.97 114.94 117.40 2qxx s ASN 45 Ca 0.39 1.81 0.13 0.00 0.21 0.00 0.00 52.86 55.40 2qxx s ASN 45 Cb 0.38 -2.56 0.25 0.00 -0.55 0.00 0.00 41.25 38.77 2qxx s ASN 45 CO -0.07 0.15 1.13 0.35 -2.79 0.00 0.00 177.10 175.87 2qxx n THR 46 N 1.41 1.26 -0.01 -5.21 -2.24 -1.26 -4.78 114.28 103.45 2qxx n THR 46 Ca -0.03 -1.72 -0.01 0.00 -2.27 0.00 0.00 64.05 60.01 2qxx n THR 46 Cb 0.48 0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 2qxx n THR 46 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2qxx n ARG 47 N -0.80 0.03 -2.18 -0.78 0.63 -1.26 -5.05 116.66 107.25 2qxx n ARG 47 Ca 0.11 0.01 -0.36 0.00 -0.92 0.00 0.00 57.85 56.70 2qxx n ARG 47 Cb 0.72 -0.68 0.01 0.00 0.45 0.00 0.00 32.46 32.95 2qxx n ARG 47 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2qxx s TYR 48 N -2.03 2.65 -0.19 -0.14 2.02 -1.26 -4.96 117.35 113.45 2qxx s TYR 48 Ca -0.02 1.53 0.19 0.00 -0.37 0.00 0.00 57.07 58.39 2qxx s TYR 48 Cb 0.01 -3.38 -0.02 0.00 -0.40 0.00 0.00 41.96 38.16 2qxx s TYR 48 CO 0.03 -1.76 1.06 1.79 -1.57 0.00 0.00 175.55 175.11 2qxx h THR 49 N 1.36 0.36 -2.59 -0.71 1.35 -1.99 -3.49 112.91 107.19 2qxx h THR 49 Ca -0.50 -1.63 0.12 0.00 -0.55 0.00 0.00 66.41 63.85 2qxx h THR 49 Cb 1.27 1.93 -0.08 0.00 -1.73 0.00 0.00 68.15 69.53 2qxx h THR 49 CO 0.58 0.20 0.38 -1.38 -0.25 0.00 0.00 175.52 175.05 2qxx s HIS 50 N -3.09 -0.21 -0.18 4.73 -3.43 -1.26 -5.15 115.29 106.71 2qxx s HIS 50 Ca -0.00 -0.12 -0.12 0.00 -0.80 0.00 0.00 55.06 54.02 2qxx s HIS 50 Cb 0.08 0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 31.83 2qxx s HIS 50 CO 0.78 -0.93 0.22 0.42 -2.00 0.00 0.00 174.74 173.23 2qxx s ILE 51 N -3.50 5.35 -0.21 -5.38 1.01 -1.26 -5.08 121.20 112.13 2qxx s ILE 51 Ca 0.10 0.39 0.01 0.00 0.00 0.00 0.00 60.65 61.15 2qxx s ILE 51 Cb -0.03 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.94 2qxx s ILE 51 CO 0.01 0.42 -0.08 -0.62 0.00 0.00 0.00 174.94 174.68 2qxx s ASP 52 N 0.37 3.56 0.63 3.58 -1.08 -1.26 -5.02 116.67 117.45 2qxx s ASP 52 Ca 0.13 -1.00 0.37 0.00 -0.52 0.00 0.00 52.55 51.53 2qxx s ASP 52 Cb -0.12 -1.18 2.11 0.00 -1.46 0.00 0.00 42.92 42.27 2qxx s ASP 52 CO 0.01 -0.19 2.31 -0.65 0.52 0.00 0.00 175.17 177.17 2qxx h PRO 53 N 7.98 0.00 0.00 4.34 0.11 -1.98 -0.04 132.00 142.41 2qxx h PRO 53 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2qxx h PRO 53 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qxx h PRO 53 CO 0.44 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 2qxx n ALA 54 N -2.20 2.04 -2.50 -0.75 0.00 -1.26 -2.70 120.51 113.14 2qxx n ALA 54 Ca -0.03 -0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.12 2qxx n ALA 54 Cb 0.09 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.00 2qxx n ALA 54 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qxx s LYS 55 N -3.15 1.83 -0.08 0.00 1.02 -0.03 -4.67 119.74 114.66 2qxx s LYS 55 Ca 0.09 -1.16 -0.30 0.00 0.02 0.00 0.00 55.97 54.62 2qxx s LYS 55 Cb 0.12 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 2qxx s LYS 55 CO 0.50 0.48 1.02 -1.14 -0.92 0.00 0.00 175.35 175.29 2qxx s GLN 56 N -2.14 4.44 -0.45 1.68 0.74 -1.26 -4.67 119.66 118.00 2qxx s GLN 56 Ca 0.18 1.43 0.08 0.00 0.05 0.00 0.00 55.36 57.10 2qxx s GLN 56 Cb -0.11 -3.53 0.28 0.00 1.10 0.00 0.00 33.01 30.75 2qxx s GLN 56 CO 0.11 -0.29 0.64 1.04 -0.55 0.00 0.00 175.29 176.24 2qxx n GLN 57 N 4.84 1.34 0.23 1.67 6.02 -1.26 -4.95 117.38 125.26 2qxx n GLN 57 Ca 0.09 -3.68 0.16 0.00 -0.01 0.00 0.00 57.00 53.55 2qxx n GLN 57 Cb 0.49 -1.61 0.66 0.00 1.02 0.00 0.00 30.24 30.80 2qxx n GLN 57 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2qxx h ASP 58 N 3.74 0.00 0.00 1.08 3.45 -1.93 -1.01 116.42 121.76 2qxx h ASP 58 Ca 0.11 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.57 2qxx h ASP 58 Cb 0.82 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.59 2qxx h ASP 58 CO 0.57 0.00 -0.00 -0.62 -1.57 0.00 0.00 179.24 177.62 2qxx n GLU 59 N -2.76 1.17 -0.32 3.56 4.71 -1.26 -4.00 120.64 121.74 2qxx n GLU 59 Ca 0.01 -0.26 0.06 0.00 -0.01 0.00 0.00 57.16 56.96 2qxx n GLU 59 Cb 0.25 -1.49 0.26 0.00 -1.01 0.00 0.00 31.44 29.44 2qxx n GLU 59 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2qxx h LEU 60 N 0.64 0.88 -9.32 -4.62 5.85 -1.58 -3.43 115.31 103.73 2qxx h LEU 60 Ca 0.00 0.02 -0.61 0.00 0.84 0.00 0.00 57.88 58.14 2qxx h LEU 60 Cb 0.14 -0.16 -0.13 0.00 0.37 0.00 0.00 40.66 40.88 2qxx h LEU 60 CO 0.00 0.52 -0.72 0.42 -0.34 0.00 0.00 178.44 178.32 2qxx s THR 61 N -5.89 2.48 0.02 1.05 -4.23 -1.26 -3.83 115.64 103.98 2qxx s THR 61 Ca -0.11 -2.29 0.07 0.00 -1.18 0.00 0.00 61.69 58.18 2qxx s THR 61 Cb 0.21 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 2qxx s THR 61 CO 0.80 -0.33 -0.20 -0.44 -0.54 0.00 0.00 174.62 173.91 2qxx s SER 62 N -3.56 3.62 -0.05 3.99 0.01 -0.56 -4.90 113.70 112.25 2qxx s SER 62 Ca 0.31 -0.43 -0.27 0.00 1.31 0.00 0.00 55.95 56.88 2qxx s SER 62 Cb -0.03 -0.55 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 2qxx s SER 62 CO 0.16 0.28 0.84 -0.22 0.41 0.00 0.00 173.24 174.71 2qxx s LEU 63 N -1.19 4.32 -0.03 2.44 2.96 -1.26 -1.20 118.68 124.71 2qxx s LEU 63 Ca 0.13 1.39 0.05 0.00 -0.22 0.00 0.00 54.13 55.48 2qxx s LEU 63 Cb -0.10 -3.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.26 2qxx s LEU 63 CO 0.03 -0.22 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.97 2qxx s VAL 64 N 1.09 1.48 -0.21 1.68 1.01 0.16 -4.97 120.40 120.62 2qxx s VAL 64 Ca 0.44 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 2qxx s VAL 64 Cb -0.19 -1.26 0.06 0.00 0.00 0.00 0.00 36.38 34.99 2qxx s VAL 64 CO 0.21 0.42 -0.03 -1.58 0.00 0.00 0.00 175.10 174.12 2qxx s GLN 65 N -0.14 1.36 0.61 2.72 0.74 -1.26 -1.28 119.66 122.42 2qxx s GLN 65 Ca -0.00 -0.77 -0.19 0.00 0.05 0.00 0.00 55.36 54.46 2qxx s GLN 65 Cb -0.10 -2.37 -0.03 0.00 1.10 0.00 0.00 33.01 31.60 2qxx s GLN 65 CO 0.01 -0.58 1.13 -0.35 -0.55 0.00 0.00 175.29 174.95 2qxx n PRO 66 N 4.80 1.06 -1.71 1.67 -0.04 -1.26 -4.91 135.00 134.61 2qxx n PRO 66 Ca -0.11 0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 63.33 2qxx n PRO 66 Cb 0.45 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 2qxx n PRO 66 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2qxx n VAL 67 N -1.72 0.44 -1.66 0.52 0.31 -1.26 -4.83 118.33 110.14 2qxx n VAL 67 Ca 0.14 -0.11 -0.54 0.00 -0.01 0.00 0.00 64.34 63.82 2qxx n VAL 67 Cb 0.47 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.50 2qxx n VAL 67 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2qxx n ASP 68 N 3.07 2.27 0.00 4.52 8.00 -1.26 -0.09 116.55 133.06 2qxx n ASP 68 Ca 0.13 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.71 2qxx n ASP 68 Cb 0.34 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 2qxx n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qxx n GLY 69 N 3.57 0.83 3.75 0.44 0.00 -1.26 -5.06 105.19 107.45 2qxx n GLY 69 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 2qxx n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qxx s GLU 70 N -0.69 2.77 0.53 1.61 2.02 0.87 -5.09 118.70 120.73 2qxx s GLU 70 Ca 0.00 -0.77 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 2qxx s GLU 70 Cb 0.00 -2.65 -0.03 0.00 0.10 0.00 0.00 34.13 31.55 2qxx s GLU 70 CO 0.00 0.54 0.86 -1.25 0.02 0.00 0.00 175.26 175.43 2qxx s PRO 71 N -2.49 3.40 -0.13 0.39 0.04 -1.26 -4.63 135.00 130.32 2qxx s PRO 71 Ca 0.28 0.26 -0.19 0.00 0.04 0.00 0.00 61.00 61.40 2qxx s PRO 71 Cb -0.12 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 2qxx s PRO 71 CO 0.21 -0.40 0.51 0.12 0.04 0.00 0.00 177.00 177.49 2qxx s PHE 72 N -2.89 3.49 -0.34 0.56 5.36 0.28 -4.87 117.98 119.56 2qxx s PHE 72 Ca 0.50 0.90 -0.19 0.00 -0.96 0.00 0.00 56.93 57.18 2qxx s PHE 72 Cb -0.10 -2.61 -0.00 0.00 -0.34 0.00 0.00 43.02 39.96 2qxx s PHE 72 CO 0.47 0.09 0.58 0.08 -1.46 0.00 0.00 175.22 174.98 2qxx s VAL 73 N 0.89 4.96 -0.22 3.12 1.01 -1.26 -0.25 120.40 128.65 2qxx s VAL 73 Ca 0.27 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 2qxx s VAL 73 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2qxx s VAL 73 CO 0.11 -0.24 0.50 -0.22 0.00 0.00 0.00 175.10 175.25 2qxx s LEU 74 N 2.54 4.12 0.34 3.92 2.96 0.01 -4.93 118.68 127.65 2qxx s LEU 74 Ca 0.22 0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 54.69 2qxx s LEU 74 Cb -0.15 -2.67 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 2qxx s LEU 74 CO 0.14 -0.20 0.61 -1.00 -1.32 0.00 0.00 176.35 174.57 2qxx s HIS 75 N 1.79 3.49 0.29 5.38 3.76 -1.26 -0.45 115.29 128.29 2qxx s HIS 75 Ca 0.23 0.64 -0.30 0.00 -0.15 0.00 0.00 55.06 55.47 2qxx s HIS 75 Cb -0.15 -2.12 -0.12 0.00 1.11 0.00 0.00 32.58 31.30 2qxx s HIS 75 CO 0.09 0.07 1.59 -2.30 -0.85 0.00 0.00 174.74 173.34 2qxx n PRO 76 N -1.36 2.66 -0.94 8.40 -0.02 -1.26 -1.29 135.00 141.18 2qxx n PRO 76 Ca -0.02 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2qxx n PRO 76 Cb 0.55 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2qxx n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxx n GLY 77 N 2.24 1.08 3.83 -1.23 0.00 -0.04 -5.02 105.19 106.04 2qxx n GLY 77 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 2qxx n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qxx s GLU 78 N -0.02 4.15 -0.09 1.61 2.12 -0.41 -4.89 118.70 121.17 2qxx s GLU 78 Ca 0.00 0.72 0.04 0.00 0.36 0.00 0.00 54.97 56.09 2qxx s GLU 78 Cb 0.00 -2.91 -0.00 0.00 0.26 0.00 0.00 34.13 31.47 2qxx s GLU 78 CO 0.00 0.44 -0.24 0.12 -0.54 0.00 0.00 175.26 175.04 2qxx s PHE 79 N -1.49 2.54 0.12 5.30 5.36 -1.26 -1.85 117.98 126.70 2qxx s PHE 79 Ca 0.40 -0.93 0.00 0.00 -0.96 0.00 0.00 56.93 55.45 2qxx s PHE 79 Cb -0.16 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.79 2qxx s PHE 79 CO 0.20 -0.35 0.01 0.14 -1.46 0.00 0.00 175.22 173.76 2qxx s VAL 80 N 0.18 0.36 -0.22 3.12 -7.23 0.01 -4.47 120.40 112.15 2qxx s VAL 80 Ca -0.14 -1.91 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 2qxx s VAL 80 Cb -0.17 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 2qxx s VAL 80 CO 0.07 -0.63 0.13 -0.76 -0.31 0.00 0.00 175.10 173.60 2qxx s LEU 81 N -3.06 3.99 0.00 1.32 1.43 -0.79 -1.01 118.68 120.57 2qxx s LEU 81 Ca 0.19 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2qxx s LEU 81 Cb 0.07 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2qxx s LEU 81 CO -0.01 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.28 2qxx n GLY 82 N 4.08 4.77 3.39 -3.19 0.00 0.86 -0.02 105.19 115.08 2qxx n GLY 82 Ca -0.16 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.64 2qxx n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qxx s SER 83 N -0.20 -0.42 0.37 1.61 0.15 -1.25 -0.58 113.70 113.38 2qxx s SER 83 Ca 0.00 0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.60 2qxx s SER 83 Cb 0.00 0.47 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 2qxx s SER 83 CO 0.00 -0.68 1.07 0.42 1.20 0.00 0.00 173.24 175.25 2qxx s THR 84 N -2.24 3.62 0.29 6.45 -4.23 -0.27 -0.48 115.64 118.79 2qxx s THR 84 Ca -0.06 1.34 -0.02 0.00 -1.18 0.00 0.00 61.69 61.76 2qxx s THR 84 Cb -0.01 -3.74 0.24 0.00 1.34 0.00 0.00 72.50 70.33 2qxx s THR 84 CO -0.00 0.10 1.94 0.25 -0.54 0.00 0.00 174.62 176.37 2qxx h LEU 85 N 2.83 0.92 -9.90 4.79 6.46 0.21 -3.39 115.31 117.22 2qxx h LEU 85 Ca -0.48 -0.05 -0.49 0.00 -0.12 0.00 0.00 57.88 56.74 2qxx h LEU 85 Cb 1.22 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 2qxx h LEU 85 CO 0.63 0.71 0.19 -1.61 -0.62 0.00 0.00 178.44 177.75 2qxx s GLU 86 N -5.78 4.31 -0.20 1.25 8.01 -1.26 -4.70 118.70 120.32 2qxx s GLU 86 Ca -0.11 0.99 -0.15 0.00 0.01 0.00 0.00 54.97 55.71 2qxx s GLU 86 Cb 0.17 -2.73 -0.04 0.00 -4.31 0.00 0.00 34.13 27.22 2qxx s GLU 86 CO 0.80 0.29 0.35 -1.17 0.01 0.00 0.00 175.26 175.54 2qxx s LEU 87 N -2.25 4.17 -0.10 1.80 0.20 0.87 -4.41 118.68 118.96 2qxx s LEU 87 Ca 0.48 0.47 -0.02 0.00 0.69 0.00 0.00 54.13 55.76 2qxx s LEU 87 Cb -0.16 -2.44 -0.03 0.00 -0.43 0.00 0.00 46.19 43.13 2qxx s LEU 87 CO 0.20 -0.03 -0.03 -0.36 -0.29 0.00 0.00 176.35 175.85 2qxx s PHE 88 N 1.13 3.06 -0.24 5.38 0.40 -0.14 -0.91 117.98 126.66 2qxx s PHE 88 Ca 0.17 0.00 -0.00 0.00 -0.60 0.00 0.00 56.93 56.50 2qxx s PHE 88 Cb -0.14 -1.82 0.07 0.00 0.51 0.00 0.00 43.02 41.64 2qxx s PHE 88 CO 0.07 0.28 -0.00 0.99 0.70 0.00 0.00 175.22 177.26 2qxx s THR 89 N -0.49 1.15 0.15 0.64 2.01 -0.03 -1.16 115.64 117.92 2qxx s THR 89 Ca 0.08 -1.08 -0.11 0.00 0.31 0.00 0.00 61.69 60.89 2qxx s THR 89 Cb -0.12 -1.57 -0.07 0.00 0.01 0.00 0.00 72.50 70.75 2qxx s THR 89 CO 0.02 -0.23 0.49 -0.76 -0.69 0.00 0.00 174.62 173.45 2qxx s LEU 90 N 1.55 4.29 1.00 4.42 1.43 0.25 -0.59 118.68 131.03 2qxx s LEU 90 Ca -0.02 0.91 -0.15 0.00 -1.03 0.00 0.00 54.13 53.84 2qxx s LEU 90 Cb -0.18 -3.31 0.19 0.00 0.03 0.00 0.00 46.19 42.92 2qxx s LEU 90 CO -0.09 0.07 1.18 -2.16 0.23 0.00 0.00 176.35 175.58 2qxx s PRO 91 N -2.26 0.40 0.00 1.29 0.04 -1.21 -3.09 135.00 130.17 2qxx s PRO 91 Ca 0.39 0.01 0.24 0.00 0.04 0.00 0.00 61.00 61.68 2qxx s PRO 91 Cb -0.13 -1.78 1.44 0.00 0.04 0.00 0.00 34.50 34.06 2qxx s PRO 91 CO 0.20 -2.64 1.87 -0.40 0.04 0.00 0.00 177.00 176.07 2qxx n ASP 92 N -4.02 0.00 -0.11 6.66 5.75 -1.26 -2.11 116.55 121.46 2qxx n ASP 92 Ca 0.11 -1.07 0.06 0.00 -0.01 0.00 0.00 54.79 53.87 2qxx n ASP 92 Cb 0.59 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.76 2qxx n ASP 92 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2qxx n ASN 93 N -0.91 1.82 -4.12 -1.12 6.94 -1.26 -0.61 115.26 116.00 2qxx n ASN 93 Ca 0.18 -2.56 -0.19 0.00 -0.02 0.00 0.00 54.58 51.99 2qxx n ASN 93 Cb 0.08 -0.27 -0.13 0.00 -2.36 0.00 0.00 39.78 37.10 2qxx n ASN 93 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qxx s LEU 94 N -1.88 2.16 0.09 -4.53 1.02 -1.24 -2.38 118.68 111.92 2qxx s LEU 94 Ca 0.18 -0.43 0.09 0.00 0.02 0.00 0.00 54.13 53.99 2qxx s LEU 94 Cb 0.16 -0.53 -0.03 0.00 0.02 0.00 0.00 46.19 45.81 2qxx s LEU 94 CO 0.02 0.01 -0.24 0.00 0.02 0.00 0.00 176.35 176.16 2qxx s ALA 95 N -0.83 2.04 0.22 4.21 0.00 -0.58 -3.39 121.76 123.42 2qxx s ALA 95 Ca 0.00 -1.27 0.08 0.00 0.00 0.00 0.00 51.96 50.77 2qxx s ALA 95 Cb -0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 2qxx s ALA 95 CO 0.01 0.45 0.04 0.20 0.00 0.00 0.00 175.76 176.46 2qxx s GLY 96 N -1.67 1.64 -0.13 0.00 0.00 -0.21 -0.14 107.32 106.81 2qxx s GLY 96 Ca 0.10 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.35 2qxx s GLY 96 CO 0.04 -1.51 -0.14 0.50 0.00 0.00 0.00 173.10 171.98 2qxx s ARG 97 N -3.38 2.26 -0.46 2.90 0.52 0.24 0.45 118.95 121.49 2qxx s ARG 97 Ca 0.30 -0.55 -0.15 0.00 -0.52 0.00 0.00 55.73 54.80 2qxx s ARG 97 Cb -0.08 -2.02 0.06 0.00 0.52 0.00 0.00 34.95 33.43 2qxx s ARG 97 CO 0.20 -0.17 0.38 -1.17 0.02 0.00 0.00 175.30 174.56 2qxx s LEU 98 N 1.31 5.50 0.41 2.53 1.98 -1.16 -1.26 118.68 127.99 2qxx s LEU 98 Ca 0.01 -1.22 0.08 0.00 -2.89 0.00 0.00 54.13 50.11 2qxx s LEU 98 Cb -0.14 -2.18 -0.00 0.00 0.66 0.00 0.00 46.19 44.53 2qxx s LEU 98 CO -0.07 -0.60 0.50 -1.61 -1.89 0.00 0.00 176.35 172.67 2qxx s GLU 99 N 1.67 2.75 0.00 1.98 0.41 0.95 -4.73 118.70 121.73 2qxx s GLU 99 Ca 0.04 -1.33 0.00 0.00 -0.41 0.00 0.00 54.97 53.28 2qxx s GLU 99 Cb -0.23 -2.64 0.00 0.00 -1.78 0.00 0.00 34.13 29.48 2qxx s GLU 99 CO 0.08 -0.23 0.00 0.41 -0.49 0.00 0.00 175.26 175.03 2qxx n GLY 100 N -1.74 -0.98 3.20 -1.39 0.00 -1.26 -0.51 105.19 102.51 2qxx n GLY 100 Ca 0.06 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 2qxx n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qxx s LYS 101 N -1.59 1.42 0.41 1.61 1.02 -1.26 -3.98 119.74 117.37 2qxx s LYS 101 Ca 0.00 -0.75 0.12 0.00 0.02 0.00 0.00 55.97 55.36 2qxx s LYS 101 Cb 0.00 -1.42 0.96 0.00 -0.52 0.00 0.00 37.83 36.85 2qxx s LYS 101 CO 0.00 0.38 1.96 1.03 -0.92 0.00 0.00 175.35 177.80 2qxx h SER 102 N 5.39 0.45 -0.95 2.83 0.87 -1.99 -1.61 113.55 118.54 2qxx h SER 102 Ca -0.39 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.24 2qxx h SER 102 Cb 1.15 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.97 2qxx h SER 102 CO 0.47 0.27 0.62 0.28 -0.53 0.00 0.00 176.83 177.93 2qxx h SER 103 N 0.50 0.98 0.23 6.23 0.02 -1.98 -2.06 113.55 117.47 2qxx h SER 103 Ca 0.31 0.01 -0.34 0.00 -0.84 0.00 0.00 61.79 60.93 2qxx h SER 103 Cb 0.54 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 62.91 2qxx h SER 103 CO -0.10 0.63 -1.54 -0.07 -1.14 0.00 0.00 176.83 174.61 2qxx h LEU 104 N 1.11 0.77 -1.56 5.07 3.38 -1.60 -3.22 115.31 119.26 2qxx h LEU 104 Ca 0.41 -0.93 0.07 0.00 0.09 0.00 0.00 57.88 57.52 2qxx h LEU 104 Cb 0.17 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2qxx h LEU 104 CO -0.16 1.73 0.39 1.23 0.09 0.00 0.00 178.44 181.72 2qxx h GLY 105 N 0.27 0.67 2.00 0.83 0.00 -1.01 -0.15 103.07 105.68 2qxx h GLY 105 Ca -0.28 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2qxx h GLY 105 CO 0.24 0.16 0.00 3.21 0.00 0.00 0.00 176.54 180.15 2qxx h ARG 106 N 0.53 0.00 -0.02 4.80 3.08 -1.38 -1.39 114.38 120.00 2qxx h ARG 106 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2qxx h ARG 106 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2qxx h ARG 106 CO -0.07 0.00 -0.40 1.28 -1.07 0.00 0.00 179.97 179.71 2qxx n LEU 107 N -2.30 1.96 0.00 3.04 4.77 -0.17 -4.97 117.00 119.34 2qxx n LEU 107 Ca 0.01 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2qxx n LEU 107 Cb 0.18 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2qxx n LEU 107 CO 0.17 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2qxx n GLY 108 N 1.40 0.76 3.47 -0.72 0.00 -0.52 -4.63 105.19 104.95 2qxx n GLY 108 Ca 0.10 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2qxx n GLY 108 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qxx s LEU 109 N 0.00 4.67 -0.18 0.99 2.96 -0.62 0.08 118.68 126.58 2qxx s LEU 109 Ca 0.00 -0.67 -0.01 0.00 -0.22 0.00 0.00 54.13 53.23 2qxx s LEU 109 Cb 0.00 -2.11 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 2qxx s LEU 109 CO 0.00 -0.32 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.84 2qxx s LEU 110 N 1.67 2.63 -0.29 -0.68 1.43 -0.54 -2.34 118.68 120.55 2qxx s LEU 110 Ca 0.05 -0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 2qxx s LEU 110 Cb -0.18 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2qxx s LEU 110 CO 0.09 0.05 0.58 -0.89 0.23 0.00 0.00 176.35 176.42 2qxx s THR 111 N 1.02 4.99 -0.09 5.49 2.01 -1.26 -1.73 115.64 126.07 2qxx s THR 111 Ca -0.01 0.83 -0.15 0.00 0.31 0.00 0.00 61.69 62.66 2qxx s THR 111 Cb -0.15 -3.94 -0.12 0.00 0.01 0.00 0.00 72.50 68.30 2qxx s THR 111 CO -0.02 -0.07 0.53 0.45 -0.69 0.00 0.00 174.62 174.82 2qxx h HIS 112 N 8.14 -0.11 -6.77 4.92 -0.00 -1.25 -3.38 115.15 116.70 2qxx h HIS 112 Ca -0.27 -0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.54 2qxx h HIS 112 Cb 1.13 0.04 -0.07 0.00 -0.00 0.00 0.00 27.41 28.50 2qxx h HIS 112 CO 0.75 0.29 -0.96 0.43 -0.00 0.00 0.00 177.93 178.45 2qxx n SER 113 N -4.82 -1.60 -0.34 2.45 7.64 -1.26 -4.80 113.62 110.89 2qxx n SER 113 Ca -0.06 -1.17 0.23 0.00 1.01 0.00 0.00 58.87 58.88 2qxx n SER 113 Cb 0.22 -2.26 0.46 0.00 -1.01 0.00 0.00 64.21 61.62 2qxx n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qxx h THR 114 N -2.04 0.37 0.00 0.44 1.03 -1.94 0.42 112.91 111.19 2qxx h THR 114 Ca -0.67 -0.13 -0.02 0.00 -0.01 0.00 0.00 66.41 65.58 2qxx h THR 114 Cb 1.39 -0.05 -0.00 0.00 -1.07 0.00 0.00 68.15 68.42 2qxx h THR 114 CO 0.60 0.07 -0.07 0.00 -0.01 0.00 0.00 175.52 176.11 2qxx h ALA 115 N 1.78 0.96 0.00 0.00 0.00 -2.00 -3.47 119.26 116.54 2qxx h ALA 115 Ca 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.55 2qxx h ALA 115 Cb 1.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2qxx h ALA 115 CO -0.53 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.22 2qxx n GLY 116 N 0.80 1.02 3.82 0.00 0.00 0.15 -4.90 105.19 106.08 2qxx n GLY 116 Ca 0.03 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2qxx n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qxx s PHE 117 N 0.00 3.64 -0.38 1.61 0.40 -1.26 -2.98 117.98 119.02 2qxx s PHE 117 Ca 0.00 0.82 -0.18 0.00 -0.60 0.00 0.00 56.93 56.97 2qxx s PHE 117 Cb 0.00 -2.24 0.00 0.00 0.51 0.00 0.00 43.02 41.30 2qxx s PHE 117 CO 0.00 0.57 0.50 0.42 0.70 0.00 0.00 175.22 177.41 2qxx s ILE 118 N -0.70 5.02 0.47 0.64 -1.09 0.17 -4.96 121.20 120.75 2qxx s ILE 118 Ca 0.21 0.15 -0.24 0.00 -2.23 0.00 0.00 60.65 58.54 2qxx s ILE 118 Cb -0.15 -4.00 -0.07 0.00 -1.58 0.00 0.00 42.46 36.66 2qxx s ILE 118 CO 0.09 -0.30 1.27 -1.81 -1.23 0.00 0.00 174.94 172.97 2qxx s ASP 119 N 1.80 5.94 -0.06 3.58 1.01 -1.26 -1.04 116.67 126.64 2qxx s ASP 119 Ca 0.17 2.57 -0.38 0.00 0.71 0.00 0.00 52.55 55.62 2qxx s ASP 119 Cb -0.16 -2.62 -0.16 0.00 1.01 0.00 0.00 42.92 40.98 2qxx s ASP 119 CO 0.14 -1.10 1.48 -2.65 0.21 0.00 0.00 175.17 173.26 2qxx n PRO 120 N -0.45 1.11 -0.20 8.23 -0.02 -1.22 -1.48 135.00 140.97 2qxx n PRO 120 Ca 0.07 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2qxx n PRO 120 Cb 0.46 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2qxx n PRO 120 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxx n GLY 121 N 3.12 0.64 3.74 -1.23 0.00 -0.90 0.30 105.19 110.87 2qxx n GLY 121 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2qxx n GLY 121 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qxx s PHE 122 N -2.44 3.27 -0.06 1.61 5.36 -0.55 -4.61 117.98 120.56 2qxx s PHE 122 Ca 0.00 1.23 0.01 0.00 -0.96 0.00 0.00 56.93 57.22 2qxx s PHE 122 Cb 0.00 -3.59 0.02 0.00 -0.34 0.00 0.00 43.02 39.11 2qxx s PHE 122 CO 0.00 -1.84 -0.08 0.45 -1.46 0.00 0.00 175.22 172.30 2qxx s SER 123 N 0.34 1.37 0.00 6.13 0.15 -1.26 -0.58 113.70 119.85 2qxx s SER 123 Ca 0.56 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.01 2qxx s SER 123 Cb -0.36 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 2qxx s SER 123 CO 0.38 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.40 2qxx n GLY 124 N 4.05 1.15 3.79 9.45 0.00 -0.31 0.43 105.19 123.75 2qxx n GLY 124 Ca -0.23 -1.56 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2qxx n GLY 124 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qxx s HIS 125 N -1.69 2.86 -0.17 1.61 3.76 -0.29 -0.97 115.29 120.40 2qxx s HIS 125 Ca 0.00 1.51 -0.07 0.00 -0.15 0.00 0.00 55.06 56.35 2qxx s HIS 125 Cb 0.00 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 2qxx s HIS 125 CO 0.00 -1.39 0.07 0.42 -0.85 0.00 0.00 174.74 172.99 2qxx s ILE 126 N -2.61 4.84 -0.16 0.60 1.01 -1.26 -4.80 121.20 118.82 2qxx s ILE 126 Ca 0.63 -0.02 -0.24 0.00 0.00 0.00 0.00 60.65 61.02 2qxx s ILE 126 Cb -0.17 -3.16 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 2qxx s ILE 126 CO 0.45 0.49 0.76 -0.89 0.00 0.00 0.00 174.94 175.75 2qxx s THR 127 N 0.08 4.94 -0.24 2.92 2.01 -1.26 -1.11 115.64 122.97 2qxx s THR 127 Ca 0.06 1.48 -0.12 0.00 0.31 0.00 0.00 61.69 63.41 2qxx s THR 127 Cb -0.12 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 2qxx s THR 127 CO 0.01 0.08 0.23 -0.76 -0.69 0.00 0.00 174.62 173.48 2qxx s LEU 128 N 1.90 4.10 -0.39 4.42 1.43 0.26 -4.94 118.68 125.46 2qxx s LEU 128 Ca 0.35 0.17 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 2qxx s LEU 128 Cb -0.16 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2qxx s LEU 128 CO 0.13 -0.00 0.84 -1.61 0.23 0.00 0.00 176.35 175.93 2qxx s GLU 129 N 1.33 3.70 -0.09 1.70 2.02 -1.26 -0.10 118.70 126.01 2qxx s GLU 129 Ca 0.10 0.30 0.04 0.00 0.02 0.00 0.00 54.97 55.43 2qxx s GLU 129 Cb -0.14 -3.84 0.00 0.00 0.10 0.00 0.00 34.13 30.25 2qxx s GLU 129 CO 0.07 -0.95 -0.21 -0.51 0.02 0.00 0.00 175.26 173.67 2qxx s LEU 130 N 3.30 1.99 0.11 1.80 1.43 -0.18 -0.61 118.68 126.51 2qxx s LEU 130 Ca 0.33 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 53.03 2qxx s LEU 130 Cb -0.12 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2qxx s LEU 130 CO 0.19 0.14 -0.23 -0.44 0.23 0.00 0.00 176.35 176.24 2qxx s SER 131 N 0.36 2.81 -0.27 2.29 0.01 -0.70 -0.81 113.70 117.39 2qxx s SER 131 Ca -0.16 -0.70 -0.06 0.00 1.31 0.00 0.00 55.95 56.34 2qxx s SER 131 Cb -0.17 -0.17 -0.00 0.00 0.21 0.00 0.00 66.02 65.88 2qxx s SER 131 CO 0.07 0.11 0.05 0.21 0.41 0.00 0.00 173.24 174.09 2qxx s ASN 132 N -1.90 4.94 0.00 2.44 3.84 -0.77 -1.47 114.94 122.02 2qxx s ASN 132 Ca 0.09 -0.53 0.09 0.00 0.21 0.00 0.00 52.86 52.72 2qxx s ASN 132 Cb -0.10 -1.86 0.22 0.00 -0.55 0.00 0.00 41.25 38.96 2qxx s ASN 132 CO 0.05 -0.12 1.11 1.33 -2.79 0.00 0.00 177.10 176.68 2qxx n VAL 133 N 4.86 0.74 -2.12 -5.21 0.24 0.11 -0.86 118.33 116.09 2qxx n VAL 133 Ca -0.16 -0.87 -0.22 0.00 -2.04 0.00 0.00 64.34 61.06 2qxx n VAL 133 Cb 0.49 0.68 0.13 0.00 -1.47 0.00 0.00 33.84 33.68 2qxx n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qxx n ALA 134 N 0.42 -0.59 1.18 2.33 0.00 -1.25 -4.89 120.51 117.70 2qxx n ALA 134 Ca 0.09 -1.50 0.13 0.00 0.00 0.00 0.00 53.44 52.15 2qxx n ALA 134 Cb 0.36 0.09 0.31 0.00 0.00 0.00 0.00 19.45 20.20 2qxx n ALA 134 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2qxx n ASN 135 N -3.34 1.06 -4.37 0.00 6.94 -1.26 -4.38 115.26 109.91 2qxx n ASN 135 Ca 0.14 -0.88 -0.25 0.00 -0.02 0.00 0.00 54.58 53.57 2qxx n ASN 135 Cb 0.48 0.21 -0.12 0.00 -2.36 0.00 0.00 39.78 37.99 2qxx n ASN 135 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qxx s LEU 136 N -2.58 2.40 0.67 -4.53 1.43 -1.26 -4.85 118.68 109.96 2qxx s LEU 136 Ca 0.22 -0.82 -0.15 0.00 -1.03 0.00 0.00 54.13 52.34 2qxx s LEU 136 Cb 0.19 -1.03 0.01 0.00 0.03 0.00 0.00 46.19 45.38 2qxx s LEU 136 CO 0.56 0.07 1.13 -2.16 0.23 0.00 0.00 176.35 176.18 2qxx s PRO 137 N -2.52 2.68 -0.11 1.29 0.04 -1.26 -4.30 135.00 130.82 2qxx s PRO 137 Ca 0.16 1.45 0.03 0.00 0.04 0.00 0.00 61.00 62.69 2qxx s PRO 137 Cb -0.08 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2qxx s PRO 137 CO 0.08 -1.35 -0.21 0.42 0.04 0.00 0.00 177.00 175.97 2qxx s ILE 138 N -2.28 1.92 -0.51 0.56 1.01 0.41 -4.96 121.20 117.35 2qxx s ILE 138 Ca 0.68 -0.92 -0.28 0.00 0.00 0.00 0.00 60.65 60.13 2qxx s ILE 138 Cb -0.22 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.59 2qxx s ILE 138 CO 0.42 0.53 1.10 0.42 0.00 0.00 0.00 174.94 177.41 2qxx s THR 139 N 0.60 4.21 -0.24 2.92 -4.23 -1.26 -0.81 115.64 116.84 2qxx s THR 139 Ca -0.13 0.97 -0.23 0.00 -1.18 0.00 0.00 61.69 61.12 2qxx s THR 139 Cb -0.17 -4.61 -0.01 0.00 1.34 0.00 0.00 72.50 69.06 2qxx s THR 139 CO 0.04 -1.09 0.75 -0.76 -0.54 0.00 0.00 174.62 173.02 2qxx s LEU 140 N 4.44 4.09 -0.33 4.79 1.43 0.65 -4.90 118.68 128.85 2qxx s LEU 140 Ca 0.43 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.30 2qxx s LEU 140 Cb -0.08 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 2qxx s LEU 140 CO 0.28 -0.44 0.37 0.26 0.23 0.00 0.00 176.35 177.05 2qxx s TRP 141 N 2.59 3.21 0.30 0.29 0.52 -1.26 -0.56 118.94 124.04 2qxx s TRP 141 Ca 0.32 0.06 -0.28 0.00 0.02 0.00 0.00 56.10 56.22 2qxx s TRP 141 Cb -0.15 -2.67 -0.14 0.00 -1.15 0.00 0.00 33.47 29.36 2qxx s TRP 141 CO 0.08 -0.40 1.01 -2.30 0.02 0.00 0.00 176.95 175.36 2qxx n PRO 142 N 5.39 1.36 0.00 4.98 -0.02 -1.26 -1.57 135.00 143.88 2qxx n PRO 142 Ca -0.09 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2qxx n PRO 142 Cb 0.50 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2qxx n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxx n GLY 143 N 1.21 2.19 3.78 -1.23 0.00 0.20 -4.99 105.19 106.36 2qxx n GLY 143 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2qxx n GLY 143 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2qxx s MET 144 N -0.74 3.15 0.27 1.61 0.23 -0.61 -4.54 119.30 118.68 2qxx s MET 144 Ca 0.00 1.43 -0.30 0.00 -1.03 0.00 0.00 55.69 55.79 2qxx s MET 144 Cb 0.00 -1.99 -0.10 0.00 -1.53 0.00 0.00 34.83 31.20 2qxx s MET 144 CO 0.00 -0.98 1.47 0.15 -2.03 0.00 0.00 175.02 173.63 2qxx s LYS 145 N -3.75 4.23 0.00 3.16 1.02 -1.26 -0.84 119.74 122.30 2qxx s LYS 145 Ca 0.68 2.37 0.00 0.00 0.02 0.00 0.00 55.97 59.04 2qxx s LYS 145 Cb -0.21 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.02 2qxx s LYS 145 CO 0.34 -0.46 0.00 1.51 -0.92 0.00 0.00 175.35 175.82 2qxx n ILE 146 N 2.14 0.00 -3.36 2.17 0.13 -0.30 -4.85 119.36 115.28 2qxx n ILE 146 Ca 0.06 -0.19 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 2qxx n ILE 146 Cb 0.40 0.96 0.00 0.00 -0.84 0.00 0.00 39.64 40.16 2qxx n ILE 146 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2qxx n GLY 147 N 0.43 0.75 3.21 4.50 0.00 -1.21 -4.33 105.19 108.55 2qxx n GLY 147 Ca 0.00 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 2qxx n GLY 147 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qxx s GLN 148 N -0.39 0.48 -0.22 1.61 -2.07 0.33 -1.19 119.66 118.21 2qxx s GLN 148 Ca 0.00 0.20 -0.09 0.00 -1.82 0.00 0.00 55.36 53.65 2qxx s GLN 148 Cb 0.00 0.22 -0.04 0.00 -1.09 0.00 0.00 33.01 32.10 2qxx s GLN 148 CO 0.00 -0.09 0.12 -1.17 -1.32 0.00 0.00 175.29 172.82 2qxx s LEU 149 N -0.39 3.96 -0.07 2.60 2.96 0.13 -0.03 118.68 127.84 2qxx s LEU 149 Ca -0.05 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2qxx s LEU 149 Cb -0.03 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 2qxx s LEU 149 CO 0.02 0.10 -0.16 0.00 -1.32 0.00 0.00 176.35 174.98 2qxx s MET 151 N -0.32 3.35 0.00 0.00 1.00 -1.26 -0.59 119.30 121.48 2qxx s MET 151 Ca 0.02 -0.42 0.06 0.00 0.00 0.00 0.00 55.69 55.35 2qxx s MET 151 Cb -0.13 -2.91 -0.03 0.00 0.00 0.00 0.00 34.83 31.77 2qxx s MET 151 CO 0.02 0.51 -0.18 -0.51 0.00 0.00 0.00 175.02 174.87 2qxx s LEU 152 N -0.34 2.58 0.32 -0.03 1.02 0.80 -0.92 118.68 122.10 2qxx s LEU 152 Ca 0.07 -0.36 -0.28 0.00 0.02 0.00 0.00 54.13 53.59 2qxx s LEU 152 Cb -0.12 -1.51 -0.09 0.00 0.02 0.00 0.00 46.19 44.49 2qxx s LEU 152 CO 0.02 0.29 1.07 -0.13 0.02 0.00 0.00 176.35 177.62 2qxx s ARG 153 N -1.11 4.50 0.34 1.70 0.52 0.13 -1.53 118.95 123.50 2qxx s ARG 153 Ca 0.13 1.68 -0.12 0.00 -0.52 0.00 0.00 55.73 56.90 2qxx s ARG 153 Cb -0.10 -2.98 -0.08 0.00 0.52 0.00 0.00 34.95 32.31 2qxx s ARG 153 CO 0.03 0.12 0.72 -0.51 0.02 0.00 0.00 175.30 175.67 2qxx s LEU 154 N -1.83 3.99 0.57 2.53 1.43 -1.00 -4.31 118.68 120.05 2qxx s LEU 154 Ca 0.49 1.15 0.26 0.00 -1.03 0.00 0.00 54.13 55.00 2qxx s LEU 154 Cb -0.28 -3.98 1.61 0.00 0.03 0.00 0.00 46.19 43.57 2qxx s LEU 154 CO 0.36 -0.26 2.15 0.71 0.23 0.00 0.00 176.35 179.54 2qxx h THR 155 N 1.61 0.62 -2.15 5.49 1.35 -1.96 -3.44 112.91 114.42 2qxx h THR 155 Ca -0.47 0.00 0.13 0.00 -0.55 0.00 0.00 66.41 65.52 2qxx h THR 155 Cb 1.18 0.91 -0.16 0.00 -1.73 0.00 0.00 68.15 68.35 2qxx h THR 155 CO 0.65 0.00 0.54 -0.94 -0.25 0.00 0.00 175.52 175.53 2qxx s SER 156 N -6.20 -0.33 0.42 5.36 1.04 -1.26 -5.15 113.70 107.59 2qxx s SER 156 Ca -0.05 -0.01 -0.26 0.00 0.48 0.00 0.00 55.95 56.11 2qxx s SER 156 Cb 0.16 0.35 -0.10 0.00 0.10 0.00 0.00 66.02 66.53 2qxx s SER 156 CO 0.59 -0.56 1.41 -2.65 0.98 0.00 0.00 173.24 173.01 2qxx n PRO 157 N -0.22 2.30 -1.77 4.02 -0.02 -1.26 -4.89 135.00 133.16 2qxx n PRO 157 Ca -0.07 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2qxx n PRO 157 Cb 0.61 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2qxx n PRO 157 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qxx s SER 158 N -0.38 6.43 0.13 2.55 0.15 0.22 -4.94 113.70 117.87 2qxx s SER 158 Ca 0.59 2.80 -0.15 0.00 0.70 0.00 0.00 55.95 59.88 2qxx s SER 158 Cb -0.47 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.25 2qxx s SER 158 CO 0.59 -0.95 1.65 -0.08 1.20 0.00 0.00 173.24 175.66 2qxx h GLU 159 N 7.12 0.66 -2.80 5.44 4.81 -1.90 -3.39 114.58 124.52 2qxx h GLU 159 Ca -0.43 -0.14 -0.60 0.00 -0.13 0.00 0.00 59.36 58.05 2qxx h GLU 159 Cb 1.20 -0.09 -0.40 0.00 0.63 0.00 0.00 28.75 30.09 2qxx h GLU 159 CO 0.95 0.65 -0.79 -1.01 -0.73 0.00 0.00 179.01 178.08 2qxx s HIS 160 N -5.39 1.65 1.05 0.92 3.76 -1.26 -5.14 115.29 110.87 2qxx s HIS 160 Ca -0.13 -2.27 -0.12 0.00 -0.15 0.00 0.00 55.06 52.39 2qxx s HIS 160 Cb 0.10 -1.56 0.22 0.00 1.11 0.00 0.00 32.58 32.45 2qxx s HIS 160 CO 0.77 -0.78 1.07 -2.14 -0.85 0.00 0.00 174.74 172.81 2qxx s PRO 161 N 0.37 0.03 0.14 8.40 0.02 -1.26 -4.65 135.00 138.04 2qxx s PRO 161 Ca 0.20 0.69 -0.35 0.00 0.02 0.00 0.00 61.00 61.57 2qxx s PRO 161 Cb -0.19 -1.68 -0.16 0.00 0.02 0.00 0.00 34.50 32.50 2qxx s PRO 161 CO -0.04 -3.05 1.36 0.98 -0.33 0.00 0.00 177.00 175.93 2qxx n TYR 162 N -4.42 1.70 0.00 6.54 9.36 0.15 -1.65 117.16 128.84 2qxx n TYR 162 Ca 0.05 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.81 2qxx n TYR 162 Cb 0.56 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 2qxx n TYR 162 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2qxx n GLY 163 N 2.57 2.93 3.79 2.98 0.00 -1.26 -4.43 105.19 111.77 2qxx n GLY 163 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 2qxx n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qxx s SER 164 N -1.06 5.84 0.37 1.61 1.04 -0.66 -4.85 113.70 115.99 2qxx s SER 164 Ca 0.00 1.90 0.15 0.00 0.48 0.00 0.00 55.95 58.48 2qxx s SER 164 Cb 0.00 -2.55 0.72 0.00 0.10 0.00 0.00 66.02 64.30 2qxx s SER 164 CO 0.00 -1.13 1.80 0.77 0.98 0.00 0.00 173.24 175.66 2qxx h SER 165 N 0.74 0.00 0.57 7.02 4.64 -1.97 -1.86 113.55 122.70 2qxx h SER 165 Ca -0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 2qxx h SER 165 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2qxx h SER 165 CO 0.57 0.39 -0.43 -0.09 -0.87 0.00 0.00 176.83 176.40 2qxx h ARG 166 N 0.00 0.00 0.00 4.77 9.65 -1.94 -2.49 114.38 124.37 2qxx h ARG 166 Ca -0.00 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 2qxx h ARG 166 Cb 0.74 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 2qxx h ARG 166 CO 0.05 0.43 -0.51 0.00 2.80 0.00 0.00 179.97 182.73 2qxx h ALA 167 N 1.57 0.75 -1.24 2.80 0.00 -1.61 -3.48 119.26 118.06 2qxx h ALA 167 Ca -0.00 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 2qxx h ALA 167 Cb 0.83 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2qxx h ALA 167 CO 0.06 0.64 -0.27 0.41 0.00 0.00 0.00 179.25 180.09 2qxx n GLY 168 N 0.87 0.47 3.67 0.00 0.00 -0.94 -4.96 105.19 104.30 2qxx n GLY 168 Ca 0.01 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2qxx n GLY 168 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qxx n SER 169 N -0.14 2.33 -0.06 1.61 7.64 -1.26 -4.97 113.62 118.76 2qxx n SER 169 Ca -0.13 1.15 -0.02 0.00 1.01 0.00 0.00 58.87 60.88 2qxx n SER 169 Cb 0.52 -1.45 -0.15 0.00 -1.01 0.00 0.00 64.21 62.12 2qxx n SER 169 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2qxx n LYS 170 N 0.35 0.82 -0.01 1.43 5.02 -1.26 -4.74 118.16 119.78 2qxx n LYS 170 Ca 0.06 -0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.29 2qxx n LYS 170 Cb 0.37 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 2qxx n LYS 170 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2qxx n TYR 171 N -2.50 0.00 -1.67 2.13 4.02 -1.26 -5.03 117.16 112.85 2qxx n TYR 171 Ca -0.20 -0.55 -0.46 0.00 -0.01 0.00 0.00 57.90 56.68 2qxx n TYR 171 Cb 0.88 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 40.10 2qxx n TYR 171 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2qxx n GLN 172 N -0.59 2.20 -0.62 -0.72 -0.06 -1.26 -1.97 117.38 114.37 2qxx n GLN 172 Ca 0.02 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.81 2qxx n GLN 172 Cb 0.29 -2.59 0.00 0.00 -4.06 0.00 0.00 30.24 23.88 2qxx n GLN 172 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qxx n GLY 173 N 3.63 0.80 3.73 1.69 0.00 0.17 -5.02 105.19 110.19 2qxx n GLY 173 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2qxx n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxx n GLN 174 N -2.03 2.64 -0.00 1.61 10.64 -0.83 -4.83 117.38 124.59 2qxx n GLN 174 Ca 0.00 0.94 0.09 0.00 -1.83 0.00 0.00 57.00 56.20 2qxx n GLN 174 Cb 0.00 -2.72 -0.12 0.00 -0.86 0.00 0.00 30.24 26.53 2qxx n GLN 174 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2qxx n ARG 175 N 2.43 0.70 -2.50 2.61 5.12 -1.26 -1.14 116.66 122.62 2qxx n ARG 175 Ca 0.10 -0.06 -0.05 0.00 -1.93 0.00 0.00 57.85 55.92 2qxx n ARG 175 Cb 0.36 -1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 30.23 2qxx n ARG 175 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qxx n GLY 176 N 1.43 3.81 3.35 -0.13 0.00 -1.26 -4.83 105.19 107.56 2qxx n GLY 176 Ca 0.01 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 2qxx n GLY 176 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qxx n PRO 177 N -0.15 2.23 -1.66 1.61 -0.04 -1.26 -4.81 135.00 130.92 2qxx n PRO 177 Ca 0.01 -2.59 -0.47 0.00 -0.04 0.00 0.00 63.50 60.41 2qxx n PRO 177 Cb 0.13 -3.43 -0.04 0.00 -0.04 0.00 0.00 33.50 30.13 2qxx n PRO 177 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qxx n THR 178 N 6.61 0.06 -1.35 0.52 -1.04 -1.26 -4.93 114.28 112.89 2qxx n THR 178 Ca 0.48 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.05 62.11 2qxx n THR 178 Cb 0.44 -1.43 0.07 0.00 -1.82 0.00 0.00 70.33 67.59 2qxx n THR 178 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2qxx n PRO 179 N 3.20 0.45 -1.55 -2.82 -0.02 -1.26 -4.88 135.00 128.11 2qxx n PRO 179 Ca 0.17 0.20 -0.48 0.00 -2.02 0.00 0.00 63.50 61.37 2qxx n PRO 179 Cb 0.28 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 2qxx n PRO 179 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qxx n SER 180 N -0.79 0.91 -1.48 2.55 2.88 -1.26 -4.93 113.62 111.51 2qxx n SER 180 Ca 0.12 1.15 -0.12 0.00 -1.33 0.00 0.00 58.87 58.69 2qxx n SER 180 Cb 0.49 -1.19 0.12 0.00 -0.75 0.00 0.00 64.21 62.89 2qxx n SER 180 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2qxx n ARG 181 N 1.30 2.52 0.25 -1.46 1.74 -1.26 -4.78 116.66 114.96 2qxx n ARG 181 Ca 0.14 -3.59 0.15 0.00 -0.77 0.00 0.00 57.85 53.78 2qxx n ARG 181 Cb 0.26 -1.99 0.85 0.00 -1.02 0.00 0.00 32.46 30.56 2qxx n ARG 181 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qxx h SER 182 N 1.53 0.00 1.00 0.55 4.64 -1.92 -1.80 113.55 117.56 2qxx h SER 182 Ca 0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2qxx h SER 182 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2qxx h SER 182 CO 0.56 0.00 -0.01 0.10 -0.87 0.00 0.00 176.83 176.61 2qxx h TYR 183 N 0.00 0.00 -2.86 4.77 -0.00 -1.78 -3.32 116.97 113.78 2qxx h TYR 183 Ca 0.04 0.00 -0.56 0.00 -0.00 0.00 0.00 58.73 58.21 2qxx h TYR 183 Cb 0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 36.92 2qxx h TYR 183 CO 0.00 0.01 0.93 -0.65 -0.00 0.00 0.00 178.16 178.46 2qxx s GLN 184 N -3.68 4.22 -1.85 0.10 -0.21 -0.68 -3.08 119.66 114.48 2qxx s GLN 184 Ca 0.01 1.76 0.00 0.00 0.02 0.00 0.00 55.36 57.15 2qxx s GLN 184 Cb 0.09 -3.80 0.00 0.00 1.00 0.00 0.00 33.01 30.30 2qxx s GLN 184 CO 0.55 -0.73 0.00 0.09 -2.12 0.00 0.00 175.29 173.08 2qxx n ASN 185 N 6.68 -4.76 -4.61 5.90 3.02 -1.26 -4.93 115.26 115.30 2qxx n ASN 185 Ca 0.14 0.40 -0.53 0.00 -0.03 0.00 0.00 54.58 54.56 2qxx n ASN 185 Cb 0.44 -4.24 -0.06 0.00 -0.61 0.00 0.00 39.78 35.31 2qxx n ASN 185 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2qxx n PHE 186 N -2.37 1.55 -4.43 3.10 7.35 -1.18 -5.00 117.46 116.48 2qxx n PHE 186 Ca -0.18 0.65 -0.24 0.00 -0.76 0.00 0.00 57.45 56.91 2qxx n PHE 186 Cb 0.60 -2.34 -0.09 0.00 0.35 0.00 0.00 39.48 37.99 2qxx n PHE 186 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2qxx s ILE 187 N 0.96 2.60 -0.04 -2.13 -4.36 -1.26 -5.10 121.20 111.88 2qxx s ILE 187 Ca 0.87 -2.19 -0.26 0.00 -0.26 0.00 0.00 60.65 58.81 2qxx s ILE 187 Cb -0.99 -2.57 0.06 0.00 1.25 0.00 0.00 42.46 40.20 2qxx s ILE 187 CO 0.51 -0.31 0.56 -0.60 0.24 0.00 0.00 174.94 175.35 2qxx s ARG 188 N -3.60 0.94 0.00 0.37 3.52 -1.26 -5.09 118.95 113.82 2qxx s ARG 188 Ca 0.32 0.12 0.31 0.00 -0.13 0.00 0.00 55.73 56.35 2qxx s ARG 188 Cb -0.02 0.44 1.84 0.00 -1.56 0.00 0.00 34.95 35.64 2qxx s ARG 188 CO 0.17 -0.28 2.16 0.43 -0.81 0.00 0.00 175.30 176.97