#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qux s MET 0 N 0.00 2.21 0.29 1.43 1.00 -1.26 -5.12 119.30 117.84 2qux s MET 0 Ca 0.00 -0.67 -0.29 0.00 0.00 0.00 0.00 55.69 54.73 2qux s MET 0 Cb 0.00 -1.79 -0.10 0.00 0.00 0.00 0.00 34.83 32.94 2qux s MET 0 CO 0.00 0.18 1.32 0.45 0.00 0.00 0.00 175.02 176.97 2qux s SER 1 N 0.27 6.81 -0.12 3.03 0.15 -1.26 -5.02 113.70 117.56 2qux s SER 1 Ca -0.11 2.60 0.02 0.00 0.70 0.00 0.00 55.95 59.16 2qux s SER 1 Cb -0.15 -2.64 -0.01 0.00 -1.71 0.00 0.00 66.02 61.52 2qux s SER 1 CO 0.05 -0.54 -0.18 -0.54 1.20 0.00 0.00 173.24 173.23 2qux s LYS 2 N -1.19 3.21 0.13 5.44 1.02 -1.26 -5.06 119.74 122.03 2qux s LYS 2 Ca 0.52 -0.78 0.07 0.00 0.02 0.00 0.00 55.97 55.79 2qux s LYS 2 Cb -0.39 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.41 2qux s LYS 2 CO 0.48 0.18 -0.15 0.95 -0.92 0.00 0.00 175.35 175.88 2qux s THR 3 N 0.39 1.46 -0.07 2.17 -4.23 -1.26 -1.27 115.64 112.84 2qux s THR 3 Ca -0.14 -1.74 0.05 0.00 -1.18 0.00 0.00 61.69 58.67 2qux s THR 3 Cb -0.17 -1.59 -0.00 0.00 1.34 0.00 0.00 72.50 72.07 2qux s THR 3 CO 0.07 -0.37 -0.21 -0.51 -0.54 0.00 0.00 174.62 173.06 2qux s ILE 4 N -2.04 1.79 -0.21 2.99 2.07 -0.64 -5.01 121.20 120.15 2qux s ILE 4 Ca 0.10 -0.89 -0.02 0.00 -1.41 0.00 0.00 60.65 58.42 2qux s ILE 4 Cb -0.05 -1.54 0.00 0.00 0.13 0.00 0.00 42.46 41.00 2qux s ILE 4 CO 0.04 0.50 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.79 2qux s VAL 5 N 0.12 2.94 -0.18 4.00 1.01 -1.26 -1.13 120.40 125.90 2qux s VAL 5 Ca -0.09 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 2qux s VAL 5 Cb -0.15 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 2qux s VAL 5 CO 0.05 0.44 0.06 -0.76 0.00 0.00 0.00 175.10 174.89 2qux s LEU 6 N 1.41 3.83 -0.11 3.92 1.43 0.15 -4.96 118.68 124.36 2qux s LEU 6 Ca 0.05 0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2qux s LEU 6 Cb -0.14 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 2qux s LEU 6 CO -0.06 0.19 -0.21 -0.94 0.23 0.00 0.00 176.35 175.56 2qux s SER 7 N 0.26 3.27 -0.33 2.29 1.04 -1.26 0.49 113.70 119.47 2qux s SER 7 Ca 0.04 -0.52 0.03 0.00 0.48 0.00 0.00 55.95 55.97 2qux s SER 7 Cb -0.12 -1.46 0.10 0.00 0.10 0.00 0.00 66.02 64.64 2qux s SER 7 CO 0.00 0.15 0.05 -0.69 0.98 0.00 0.00 173.24 173.73 2qux s VAL 8 N 0.43 1.93 0.00 5.02 1.01 -0.79 -5.00 120.40 123.00 2qux s VAL 8 Ca -0.15 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 59.76 2qux s VAL 8 Cb -0.17 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2qux s VAL 8 CO 0.06 -0.58 0.00 0.61 0.00 0.00 0.00 175.10 175.19 2qux n GLY 9 N 4.41 1.47 0.23 4.51 0.00 -1.26 -2.84 105.19 111.70 2qux n GLY 9 Ca 0.02 -0.69 0.11 0.00 0.00 0.00 0.00 46.02 45.46 2qux n GLY 9 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qux h GLU 10 N 0.00 0.00 -7.09 1.61 4.81 -2.03 -3.45 114.58 108.42 2qux h GLU 10 Ca 0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.70 2qux h GLU 10 Cb 0.00 0.00 0.11 0.00 0.63 0.00 0.00 28.75 29.49 2qux h GLU 10 CO 0.00 0.17 0.48 0.00 -0.73 0.00 0.00 179.01 178.93 2qux s ALA 11 N -3.51 2.55 0.04 2.92 0.00 -1.13 -5.06 121.76 117.57 2qux s ALA 11 Ca 0.02 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.05 2qux s ALA 11 Cb 0.09 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2qux s ALA 11 CO 0.63 -1.17 -0.14 -0.08 0.00 0.00 0.00 175.76 175.00 2qux s THR 12 N -1.58 1.09 -0.06 0.00 -1.32 -1.26 -1.89 115.64 110.62 2qux s THR 12 Ca 0.77 -0.99 0.00 0.00 -1.21 0.00 0.00 61.69 60.26 2qux s THR 12 Cb -0.31 -0.99 0.02 0.00 -1.51 0.00 0.00 72.50 69.71 2qux s THR 12 CO 0.34 -0.00 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.57 2qux s ARG 13 N -1.14 0.93 -0.25 7.08 0.52 0.18 -4.98 118.95 121.29 2qux s ARG 13 Ca 0.01 -0.10 -0.05 0.00 -0.52 0.00 0.00 55.73 55.07 2qux s ARG 13 Cb -0.08 -1.01 -0.01 0.00 0.52 0.00 0.00 34.95 34.38 2qux s ARG 13 CO 0.01 -0.15 0.01 0.99 0.02 0.00 0.00 175.30 176.19 2qux s THR 14 N 1.25 3.72 -0.25 0.02 2.01 -1.26 -0.67 115.64 120.45 2qux s THR 14 Ca -0.06 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 2qux s THR 14 Cb -0.14 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 2qux s THR 14 CO -0.02 0.31 0.23 -0.76 -0.69 0.00 0.00 174.62 173.69 2qux s LEU 15 N 1.51 4.08 -0.15 4.42 2.01 -0.28 -4.26 118.68 126.00 2qux s LEU 15 Ca 0.05 0.15 -0.05 0.00 0.01 0.00 0.00 54.13 54.29 2qux s LEU 15 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 46.19 43.80 2qux s LEU 15 CO -0.00 -0.02 0.02 -0.89 1.01 0.00 0.00 176.35 176.47 2qux s THR 16 N 1.45 4.47 -0.08 5.49 2.01 0.17 -1.61 115.64 127.54 2qux s THR 16 Ca 0.10 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 2qux s THR 16 Cb -0.15 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 2qux s THR 16 CO 0.08 0.51 1.54 -0.70 -0.69 0.00 0.00 174.62 175.36 2qux s GLU 17 N 0.03 4.20 0.00 4.92 2.12 -0.40 -0.59 118.70 128.98 2qux s GLU 17 Ca 0.04 2.05 0.10 0.00 0.36 0.00 0.00 54.97 57.52 2qux s GLU 17 Cb -0.13 -3.90 -0.03 0.00 0.26 0.00 0.00 34.13 30.33 2qux s GLU 17 CO 0.02 -0.79 0.59 0.44 -0.54 0.00 0.00 175.26 174.97 2qux n ILE 18 N 5.39 0.00 -3.61 -3.70 -5.35 0.54 -4.81 119.36 107.82 2qux n ILE 18 Ca 0.16 -0.35 -0.14 0.00 -0.27 0.00 0.00 62.75 62.15 2qux n ILE 18 Cb 0.43 1.09 -0.07 0.00 -1.74 0.00 0.00 39.64 39.35 2qux n ILE 18 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2qux s GLN 19 N -1.56 0.83 -0.37 6.28 0.74 -1.10 -4.97 119.66 119.50 2qux s GLN 19 Ca 0.07 0.78 0.07 0.00 0.05 0.00 0.00 55.36 56.33 2qux s GLN 19 Cb 0.08 0.40 0.18 0.00 1.10 0.00 0.00 33.01 34.77 2qux s GLN 19 CO 0.31 -0.14 0.57 0.45 -0.55 0.00 0.00 175.29 175.93 2qux s SER 20 N 0.01 -1.02 0.92 6.67 0.15 -1.26 -1.54 113.70 117.63 2qux s SER 20 Ca -0.02 -0.70 -0.08 0.00 0.70 0.00 0.00 55.95 55.85 2qux s SER 20 Cb -0.04 1.71 0.13 0.00 -1.71 0.00 0.00 66.02 66.11 2qux s SER 20 CO 0.02 -0.22 0.78 0.35 1.20 0.00 0.00 173.24 175.37 2qux n THR 21 N 4.63 0.00 -0.07 6.45 -2.24 -0.28 -5.02 114.28 117.76 2qux n THR 21 Ca 0.09 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 61.08 2qux n THR 21 Cb 0.54 -1.57 -0.05 0.00 -2.10 0.00 0.00 70.33 67.15 2qux n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qux h ALA 22 N -1.61 0.28 0.06 6.98 0.00 -2.01 -3.37 119.26 119.59 2qux h ALA 22 Ca -0.25 -0.19 -0.34 0.00 0.00 0.00 0.00 54.91 54.12 2qux h ALA 22 Cb 0.74 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2qux h ALA 22 CO 0.19 -0.02 -2.00 -0.40 0.00 0.00 0.00 179.25 177.03 2qux n ASP 23 N -4.70 1.52 -4.54 0.00 3.85 -1.26 -4.97 116.55 106.44 2qux n ASP 23 Ca -0.04 0.22 -0.30 0.00 -0.71 0.00 0.00 54.79 53.96 2qux n ASP 23 Cb 0.21 -0.39 -0.10 0.00 -1.35 0.00 0.00 41.12 39.49 2qux n ASP 23 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 2qux s ARG 24 N -2.56 2.04 0.05 0.11 3.52 -1.26 -1.80 118.95 119.05 2qux s ARG 24 Ca -0.17 -1.05 0.02 0.00 -0.13 0.00 0.00 55.73 54.39 2qux s ARG 24 Cb 0.07 -2.25 -0.03 0.00 -1.56 0.00 0.00 34.95 31.19 2qux s ARG 24 CO 0.77 0.51 -0.07 -0.65 -0.81 0.00 0.00 175.30 175.05 2qux s GLN 25 N -2.10 0.59 -0.07 5.12 -0.21 0.50 -1.12 119.66 122.36 2qux s GLN 25 Ca 0.20 -0.92 -0.00 0.00 0.02 0.00 0.00 55.36 54.65 2qux s GLN 25 Cb -0.11 -0.20 0.03 0.00 1.00 0.00 0.00 33.01 33.73 2qux s GLN 25 CO 0.12 0.01 -0.03 0.42 -2.12 0.00 0.00 175.29 173.69 2qux s ILE 26 N -2.11 0.55 0.10 1.08 1.01 -0.59 -1.25 121.20 119.99 2qux s ILE 26 Ca -0.04 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.65 2qux s ILE 26 Cb -0.05 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2qux s ILE 26 CO -0.02 0.27 -0.10 -0.36 0.00 0.00 0.00 174.94 174.73 2qux s PHE 27 N 1.60 2.73 0.00 3.97 0.40 0.72 -0.34 117.98 127.06 2qux s PHE 27 Ca 0.00 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 2qux s PHE 27 Cb -0.13 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 41.97 2qux s PHE 27 CO -0.04 0.42 0.15 -2.00 0.70 0.00 0.00 175.22 174.45 2qux s GLU 28 N -2.15 0.50 -0.47 0.44 2.12 0.24 -1.08 118.70 118.31 2qux s GLU 28 Ca 0.21 -0.40 -0.23 0.00 0.36 0.00 0.00 54.97 54.91 2qux s GLU 28 Cb -0.11 0.21 0.03 0.00 0.26 0.00 0.00 34.13 34.52 2qux s GLU 28 CO 0.13 -0.12 0.78 -2.00 -0.54 0.00 0.00 175.26 173.51 2qux s GLU 29 N -1.43 3.35 -1.18 4.30 2.12 -0.24 0.45 118.70 126.07 2qux s GLU 29 Ca -0.14 -0.23 -0.06 0.00 0.36 0.00 0.00 54.97 54.90 2qux s GLU 29 Cb -0.07 -3.97 0.07 0.00 0.26 0.00 0.00 34.13 30.42 2qux s GLU 29 CO 0.02 -1.17 2.56 1.63 -0.54 0.00 0.00 175.26 177.76 2qux n LYS 30 N 6.74 4.06 -3.85 4.30 4.76 -1.26 -4.56 118.16 128.35 2qux n LYS 30 Ca 0.01 -3.05 -0.12 0.00 -2.87 0.00 0.00 58.31 52.29 2qux n LYS 30 Cb 0.48 -2.55 -0.10 0.00 -1.84 0.00 0.00 35.03 31.01 2qux n LYS 30 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2qux s VAL 31 N -0.84 0.06 0.00 -0.18 0.11 -1.26 -5.14 120.40 113.15 2qux s VAL 31 Ca 0.57 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 2qux s VAL 31 Cb 0.22 -0.39 0.00 0.00 -1.53 0.00 0.00 36.38 34.68 2qux s VAL 31 CO -0.11 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.00 2qux n GLY 32 N 1.85 -1.48 3.70 6.54 0.00 -1.26 -4.89 105.19 109.64 2qux n GLY 32 Ca -0.20 -1.81 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 2qux n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qux n PRO 33 N 0.00 1.66 0.07 1.61 -0.02 -1.26 -4.92 135.00 132.14 2qux n PRO 33 Ca 0.00 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.18 2qux n PRO 33 Cb 0.00 -2.40 0.56 0.00 -0.02 0.00 0.00 33.50 31.63 2qux n PRO 33 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qux h LEU 34 N 1.58 0.21 -9.65 2.45 3.38 -2.01 -3.43 115.31 107.85 2qux h LEU 34 Ca -0.49 -0.00 -0.58 0.00 0.09 0.00 0.00 57.88 56.90 2qux h LEU 34 Cb 1.31 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.96 2qux h LEU 34 CO 0.57 0.14 -0.06 0.54 0.09 0.00 0.00 178.44 179.73 2qux s VAL 35 N -5.25 4.83 -0.46 1.22 0.11 -1.26 -4.42 120.40 115.17 2qux s VAL 35 Ca -0.06 1.16 -0.01 0.00 -2.93 0.00 0.00 61.98 60.13 2qux s VAL 35 Cb 0.18 -3.88 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 2qux s VAL 35 CO 0.71 0.52 0.15 0.61 -3.33 0.00 0.00 175.10 173.77 2qux n GLY 36 N 1.92 0.31 3.78 6.54 0.00 -1.26 -4.95 105.19 111.52 2qux n GLY 36 Ca -0.10 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 2qux n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qux s ARG 37 N -4.78 4.52 0.26 1.61 0.52 -1.26 -4.26 118.95 115.55 2qux s ARG 37 Ca 0.08 1.44 -0.31 0.00 -0.52 0.00 0.00 55.73 56.42 2qux s ARG 37 Cb -0.03 -2.83 -0.11 0.00 0.52 0.00 0.00 34.95 32.50 2qux s ARG 37 CO 0.09 0.20 1.59 -1.17 0.02 0.00 0.00 175.30 176.04 2qux s LEU 38 N -2.04 4.36 0.02 2.53 2.96 -1.26 -4.78 118.68 120.46 2qux s LEU 38 Ca 0.50 2.86 0.03 0.00 -0.22 0.00 0.00 54.13 57.30 2qux s LEU 38 Cb -0.21 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.84 2qux s LEU 38 CO 0.27 -0.88 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.72 2qux s ARG 39 N 0.02 0.74 -0.08 1.98 3.52 -1.01 -1.08 118.95 123.05 2qux s ARG 39 Ca 0.66 -0.53 -0.01 0.00 -0.13 0.00 0.00 55.73 55.72 2qux s ARG 39 Cb -0.47 -0.69 0.03 0.00 -1.56 0.00 0.00 34.95 32.25 2qux s ARG 39 CO 0.42 0.18 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.89 2qux s LEU 40 N -0.75 0.87 -0.13 -0.88 2.96 -0.24 -1.33 118.68 119.18 2qux s LEU 40 Ca 0.00 -0.15 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2qux s LEU 40 Cb -0.06 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.06 2qux s LEU 40 CO 0.00 -0.15 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.92 2qux s THR 41 N 1.72 3.61 0.04 3.68 2.01 -0.49 -0.20 115.64 125.99 2qux s THR 41 Ca 0.02 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.59 2qux s THR 41 Cb -0.13 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 2qux s THR 41 CO -0.05 0.53 -0.13 0.00 -0.69 0.00 0.00 174.62 174.28 2qux s ALA 42 N 0.05 1.09 0.16 7.40 0.00 -0.38 -0.22 121.76 129.87 2qux s ALA 42 Ca -0.02 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.06 2qux s ALA 42 Cb -0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 2qux s ALA 42 CO 0.03 0.20 0.28 -1.54 0.00 0.00 0.00 175.76 174.73 2qux s SER 43 N -1.12 0.05 -0.29 0.00 1.04 -0.14 -0.37 113.70 112.85 2qux s SER 43 Ca 0.01 -0.87 -0.05 0.00 0.48 0.00 0.00 55.95 55.51 2qux s SER 43 Cb -0.08 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.63 2qux s SER 43 CO 0.01 -0.89 0.60 -0.22 0.98 0.00 0.00 173.24 173.72 2qux s LEU 44 N -2.97 -1.20 0.01 2.42 2.96 -0.74 -2.36 118.68 116.80 2qux s LEU 44 Ca 0.17 1.15 0.02 0.00 -0.22 0.00 0.00 54.13 55.24 2qux s LEU 44 Cb 0.03 2.13 -0.01 0.00 0.50 0.00 0.00 46.19 48.84 2qux s LEU 44 CO -0.00 -0.24 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.60 2qux s ARG 45 N 2.85 0.41 0.16 1.98 0.52 -0.79 -4.68 118.95 119.40 2qux s ARG 45 Ca 0.08 -0.38 -0.06 0.00 -0.52 0.00 0.00 55.73 54.84 2qux s ARG 45 Cb -0.14 -0.29 -0.06 0.00 0.52 0.00 0.00 34.95 34.98 2qux s ARG 45 CO -0.19 0.07 0.42 -1.14 0.02 0.00 0.00 175.30 174.47 2qux s GLN 46 N -0.68 3.66 0.75 3.54 0.74 -1.26 -0.11 119.66 126.30 2qux s GLN 46 Ca -0.03 -0.00 -0.11 0.00 0.05 0.00 0.00 55.36 55.26 2qux s GLN 46 Cb -0.05 -2.80 0.04 0.00 1.10 0.00 0.00 33.01 31.29 2qux s GLN 46 CO -0.00 0.43 1.08 0.54 -0.55 0.00 0.00 175.29 176.80 2qux s ASN 47 N -2.40 4.98 0.26 6.67 2.20 -0.01 -4.94 114.94 121.70 2qux s ASN 47 Ca 0.42 1.35 -0.03 0.00 -0.94 0.00 0.00 52.86 53.66 2qux s ASN 47 Cb -0.12 -2.14 0.37 0.00 -2.00 0.00 0.00 41.25 37.36 2qux s ASN 47 CO 0.24 -1.66 1.89 1.23 -2.94 0.00 0.00 177.10 175.85 2qux h GLY 48 N -0.87 1.49 2.00 0.45 0.00 -1.99 -1.27 103.07 102.87 2qux h GLY 48 Ca -0.46 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.39 2qux h GLY 48 CO 0.60 0.37 0.00 0.00 0.00 0.00 0.00 176.54 177.51 2qux h ALA 49 N 1.43 1.00 -1.18 3.60 0.00 -1.96 -3.47 119.26 118.69 2qux h ALA 49 Ca 0.42 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.10 2qux h ALA 49 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2qux h ALA 49 CO -0.15 0.00 -0.25 1.63 0.00 0.00 0.00 179.25 180.47 2qux n LYS 50 N -2.69 -0.84 -0.00 0.00 5.02 -0.48 -4.93 118.16 114.24 2qux n LYS 50 Ca 0.01 0.67 0.10 0.00 -2.02 0.00 0.00 58.31 57.07 2qux n LYS 50 Cb 0.26 -4.73 -0.12 0.00 -0.02 0.00 0.00 35.03 30.41 2qux n LYS 50 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2qux n THR 51 N -3.50 0.00 -3.68 -0.18 -2.24 -1.26 -4.85 114.28 98.57 2qux n THR 51 Ca -0.12 -0.17 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2qux n THR 51 Cb 0.51 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.39 2qux n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qux s ALA 52 N -3.01 -0.85 0.09 6.98 0.00 -1.26 -0.45 121.76 123.25 2qux s ALA 52 Ca 0.03 -0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.05 2qux s ALA 52 Cb 0.14 0.54 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 2qux s ALA 52 CO 0.81 -0.56 -0.21 0.71 0.00 0.00 0.00 175.76 176.52 2qux s TYR 53 N -3.35 1.80 -0.23 0.00 2.02 0.13 -0.83 117.35 116.88 2qux s TYR 53 Ca 0.00 -0.40 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2qux s TYR 53 Cb 0.01 -1.01 0.05 0.00 -0.40 0.00 0.00 41.96 40.62 2qux s TYR 53 CO -0.09 0.18 -0.10 1.03 -1.57 0.00 0.00 175.55 175.00 2qux s ARG 54 N -1.70 2.11 -0.04 -0.62 1.81 0.84 -1.34 118.95 120.01 2qux s ARG 54 Ca 0.07 -1.11 -0.19 0.00 -1.72 0.00 0.00 55.73 52.78 2qux s ARG 54 Cb -0.10 -2.69 -0.05 0.00 -0.45 0.00 0.00 34.95 31.66 2qux s ARG 54 CO 0.04 -0.52 0.52 0.08 -0.68 0.00 0.00 175.30 174.74 2qux s VAL 55 N 1.25 5.01 -0.09 3.52 1.01 -0.77 -1.88 120.40 128.45 2qux s VAL 55 Ca -0.05 1.08 0.01 0.00 0.00 0.00 0.00 61.98 63.01 2qux s VAL 55 Cb -0.18 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.36 2qux s VAL 55 CO -0.07 0.42 -0.10 0.20 0.00 0.00 0.00 175.10 175.56 2qux s ASN 56 N -0.13 1.92 0.01 3.32 0.01 -1.00 -1.17 114.94 117.91 2qux s ASN 56 Ca 0.28 -0.29 0.08 0.00 -0.71 0.00 0.00 52.86 52.22 2qux s ASN 56 Cb -0.17 -0.82 -0.02 0.00 0.41 0.00 0.00 41.25 40.65 2qux s ASN 56 CO 0.14 -0.04 -0.26 -0.76 -1.51 0.00 0.00 177.10 174.68 2qux s LEU 57 N 1.15 2.11 -0.18 0.60 1.43 -1.00 -0.97 118.68 121.81 2qux s LEU 57 Ca -0.06 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.48 2qux s LEU 57 Cb -0.14 -1.28 0.06 0.00 0.03 0.00 0.00 46.19 44.86 2qux s LEU 57 CO -0.02 0.28 0.08 -0.75 0.23 0.00 0.00 176.35 176.17 2qux s LYS 58 N -0.91 0.23 -0.35 1.70 2.20 0.69 -0.19 119.74 123.11 2qux s LYS 58 Ca 0.10 -0.20 -0.15 0.00 -0.36 0.00 0.00 55.97 55.36 2qux s LYS 58 Cb -0.10 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.33 2qux s LYS 58 CO 0.00 -0.68 0.37 -1.17 -0.36 0.00 0.00 175.35 173.52 2qux s LEU 59 N 2.06 4.46 -0.25 5.43 2.96 -0.75 -1.40 118.68 131.19 2qux s LEU 59 Ca 0.02 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.58 2qux s LEU 59 Cb -0.16 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 2qux s LEU 59 CO -0.10 -0.36 0.13 -1.81 -1.32 0.00 0.00 176.35 172.89 2qux s ASP 60 N 1.74 5.67 -0.29 3.68 1.01 -0.44 -1.78 116.67 126.25 2qux s ASP 60 Ca 0.12 -0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.33 2qux s ASP 60 Cb -0.17 -2.03 0.05 0.00 1.01 0.00 0.00 42.92 41.79 2qux s ASP 60 CO 0.12 0.00 -0.03 -1.58 0.21 0.00 0.00 175.17 173.89 2qux s GLN 61 N 1.41 2.39 0.47 8.23 0.74 -0.18 -2.39 119.66 130.33 2qux s GLN 61 Ca 0.06 -1.28 -0.12 0.00 0.05 0.00 0.00 55.36 54.07 2qux s GLN 61 Cb -0.15 -3.10 -0.06 0.00 1.10 0.00 0.00 33.01 30.79 2qux s GLN 61 CO 0.06 -0.60 0.86 0.00 -0.55 0.00 0.00 175.29 175.06 2qux s ALA 62 N 1.22 3.24 -0.25 1.58 0.00 -1.26 -1.72 121.76 124.57 2qux s ALA 62 Ca -0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 2qux s ALA 62 Cb -0.20 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.09 2qux s ALA 62 CO -0.02 -0.18 -0.05 0.34 0.00 0.00 0.00 175.76 175.85 2qux s ASP 63 N -3.31 4.36 -0.18 0.00 2.15 0.46 -4.97 116.67 115.18 2qux s ASP 63 Ca 0.54 -0.84 -0.06 0.00 0.43 0.00 0.00 52.55 52.62 2qux s ASP 63 Cb -0.10 -1.68 -0.03 0.00 -0.30 0.00 0.00 42.92 40.80 2qux s ASP 63 CO 0.35 -0.13 0.03 -0.69 -0.17 0.00 0.00 175.17 174.56 2qux s VAL 64 N 1.34 4.40 -0.00 1.11 1.01 -1.26 0.37 120.40 127.36 2qux s VAL 64 Ca 0.01 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 61.90 2qux s VAL 64 Cb -0.17 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2qux s VAL 64 CO -0.04 0.45 -0.26 0.68 0.00 0.00 0.00 175.10 175.93 2qux s VAL 65 N 0.55 2.08 -0.61 2.92 -7.23 -0.65 -4.95 120.40 112.51 2qux s VAL 65 Ca 0.01 -1.18 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 2qux s VAL 65 Cb -0.13 -1.74 0.16 0.00 0.56 0.00 0.00 36.38 35.23 2qux s VAL 65 CO 0.02 0.52 0.40 -0.62 -0.31 0.00 0.00 175.10 175.11 2qux s ASP 66 N -0.77 4.29 0.00 4.85 -1.08 -1.26 -2.42 116.67 120.28 2qux s ASP 66 Ca 0.10 -3.48 0.16 0.00 -0.52 0.00 0.00 52.55 48.82 2qux s ASP 66 Cb -0.10 -1.47 0.71 0.00 -1.46 0.00 0.00 42.92 40.60 2qux s ASP 66 CO -0.00 -0.14 1.49 -1.54 0.52 0.00 0.00 175.17 175.50 2qux n SER 67 N 2.46 0.95 0.00 -0.34 3.41 -1.26 -4.86 113.62 113.97 2qux n SER 67 Ca 0.16 -1.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.08 2qux n SER 67 Cb 0.35 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2qux n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qux n GLY 68 N 0.93 -0.87 3.35 5.00 0.00 -1.26 -5.09 105.19 107.25 2qux n GLY 68 Ca 0.13 0.41 -0.33 0.00 0.00 0.00 0.00 46.02 46.23 2qux n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qux s LEU 75 N 0.00 2.75 0.58 0.99 1.43 -1.26 -5.11 118.68 118.06 2qux s LEU 75 Ca 0.00 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.55 2qux s LEU 75 Cb 0.00 -1.64 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 2qux s LEU 75 CO 0.00 0.12 1.14 -2.65 0.23 0.00 0.00 176.35 175.19 2qux n PRO 76 N 3.87 1.21 -3.70 1.29 -0.02 -1.26 -4.77 135.00 131.62 2qux n PRO 76 Ca -0.18 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 61.65 2qux n PRO 76 Cb 0.52 -2.34 -0.11 0.00 -0.02 0.00 0.00 33.50 31.55 2qux n PRO 76 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qux s LYS 77 N -2.84 0.40 -0.12 -0.52 2.47 -1.01 -4.99 119.74 113.13 2qux s LYS 77 Ca 0.75 0.79 -0.30 0.00 -1.56 0.00 0.00 55.97 55.65 2qux s LYS 77 Cb -0.42 -0.01 -0.02 0.00 -1.46 0.00 0.00 37.83 35.91 2qux s LYS 77 CO 0.47 -0.16 1.25 0.08 0.16 0.00 0.00 175.35 177.16 2qux s VAL 78 N 1.37 4.24 -0.17 4.02 1.01 -1.26 -1.64 120.40 127.97 2qux s VAL 78 Ca -0.09 1.53 -0.23 0.00 0.00 0.00 0.00 61.98 63.19 2qux s VAL 78 Cb -0.08 -3.99 -0.20 0.00 0.00 0.00 0.00 36.38 32.11 2qux s VAL 78 CO -0.13 -0.08 0.45 -0.09 0.00 0.00 0.00 175.10 175.25 2qux h ARG 79 N 7.93 0.00 -3.68 2.72 2.43 -0.46 -3.48 114.38 119.84 2qux h ARG 79 Ca -0.30 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 2qux h ARG 79 Cb 1.13 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.58 2qux h ARG 79 CO 0.93 0.89 -0.15 1.52 -1.51 0.00 0.00 179.97 181.65 2qux s TYR 80 N -2.24 0.34 -0.05 2.20 -0.85 -1.22 -5.01 117.35 110.51 2qux s TYR 80 Ca -0.22 -0.70 0.01 0.00 -0.52 0.00 0.00 57.07 55.65 2qux s TYR 80 Cb 0.01 0.15 0.02 0.00 0.38 0.00 0.00 41.96 42.52 2qux s TYR 80 CO 0.58 -0.93 -0.07 0.99 -1.52 0.00 0.00 175.55 174.60 2qux s THR 81 N -4.00 0.75 0.07 -3.49 2.01 -1.26 -0.40 115.64 109.33 2qux s THR 81 Ca 0.21 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 62.01 2qux s THR 81 Cb 0.00 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 2qux s THR 81 CO 0.06 0.28 -0.01 -1.10 -0.69 0.00 0.00 174.62 173.16 2qux s GLN 82 N 0.88 2.57 0.00 4.92 -0.21 -0.70 -4.98 119.66 122.15 2qux s GLN 82 Ca -0.11 -0.80 0.02 0.00 0.02 0.00 0.00 55.36 54.48 2qux s GLN 82 Cb -0.15 -2.55 -0.01 0.00 1.00 0.00 0.00 33.01 31.31 2qux s GLN 82 CO 0.01 0.56 -0.05 0.08 -2.12 0.00 0.00 175.29 173.76 2qux s VAL 83 N -1.25 0.41 -0.24 1.09 1.01 -1.26 -1.01 120.40 119.14 2qux s VAL 83 Ca 0.24 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 2qux s VAL 83 Cb -0.12 -0.37 0.07 0.00 0.00 0.00 0.00 36.38 35.97 2qux s VAL 83 CO 0.16 0.03 0.02 0.86 0.00 0.00 0.00 175.10 176.18 2qux s TRP 84 N -0.31 1.73 0.27 5.22 -0.11 -0.74 -5.01 118.94 119.99 2qux s TRP 84 Ca 0.00 -1.45 0.08 0.00 1.22 0.00 0.00 56.10 55.95 2qux s TRP 84 Cb -0.03 -1.45 -0.04 0.00 -1.50 0.00 0.00 33.47 30.46 2qux s TRP 84 CO -0.00 -0.74 0.17 -1.54 -4.62 0.00 0.00 176.95 170.22 2qux s SER 85 N 1.62 5.30 0.05 5.86 1.04 -1.26 -1.81 113.70 124.50 2qux s SER 85 Ca 0.01 -0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.11 2qux s SER 85 Cb -0.18 -1.23 -0.02 0.00 0.10 0.00 0.00 66.02 64.69 2qux s SER 85 CO -0.12 -0.08 -0.11 -1.00 0.98 0.00 0.00 173.24 172.91 2qux s HIS 86 N -2.20 0.93 -0.19 5.02 0.09 0.73 -4.98 115.29 114.69 2qux s HIS 86 Ca 0.34 -0.42 -0.05 0.00 -0.00 0.00 0.00 55.06 54.93 2qux s HIS 86 Cb -0.07 -0.55 0.07 0.00 -0.00 0.00 0.00 32.58 32.03 2qux s HIS 86 CO 0.24 -0.01 0.10 0.34 -0.00 0.00 0.00 174.74 175.41 2qux s ASP 87 N -1.41 2.53 -0.20 1.40 -1.08 -1.26 -2.37 116.67 114.29 2qux s ASP 87 Ca -0.04 -0.72 -0.05 0.00 -0.52 0.00 0.00 52.55 51.22 2qux s ASP 87 Cb -0.09 -0.26 -0.02 0.00 -1.46 0.00 0.00 42.92 41.09 2qux s ASP 87 CO 0.01 -0.36 -0.02 -0.69 0.52 0.00 0.00 175.17 174.63 2qux s VAL 88 N 2.13 3.78 -0.34 1.11 1.01 -0.31 -4.98 120.40 122.80 2qux s VAL 88 Ca 0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 2qux s VAL 88 Cb -0.16 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 2qux s VAL 88 CO -0.14 0.43 0.30 -0.89 0.00 0.00 0.00 175.10 174.81 2qux s THR 89 N 1.07 5.23 -0.17 3.92 2.01 -1.26 -1.85 115.64 124.58 2qux s THR 89 Ca 0.02 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2qux s THR 89 Cb -0.14 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 2qux s THR 89 CO 0.01 -0.04 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.18 2qux s ILE 90 N 1.88 3.12 0.07 1.82 -1.09 -0.45 -4.99 121.20 121.56 2qux s ILE 90 Ca 0.09 -0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 57.71 2qux s ILE 90 Cb -0.17 -2.36 -0.07 0.00 -1.58 0.00 0.00 42.46 38.28 2qux s ILE 90 CO 0.11 0.48 0.56 -0.69 -1.23 0.00 0.00 174.94 174.18 2qux s VAL 91 N 0.91 4.75 0.14 2.92 1.01 -1.26 0.17 120.40 129.04 2qux s VAL 91 Ca -0.02 1.19 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 2qux s VAL 91 Cb -0.15 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2qux s VAL 91 CO -0.00 0.55 1.64 0.00 0.00 0.00 0.00 175.10 177.29 2qux h ALA 92 N 4.52 0.59 -0.40 5.51 0.00 -1.09 -2.59 119.26 125.80 2qux h ALA 92 Ca -0.50 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2qux h ALA 92 Cb 1.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2qux h ALA 92 CO 0.63 0.28 0.06 0.27 0.00 0.00 0.00 179.25 180.49 2qux n ASN 93 N -4.51 3.93 -4.74 0.00 0.23 -1.26 -4.98 115.26 103.93 2qux n ASN 93 Ca 0.00 -2.65 -0.30 0.00 -0.53 0.00 0.00 54.58 51.10 2qux n ASN 93 Cb 0.22 -0.63 0.12 0.00 -2.08 0.00 0.00 39.78 37.40 2qux n ASN 93 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2qux s SER 94 N -0.48 3.95 0.44 0.53 1.04 -0.98 -5.04 113.70 113.15 2qux s SER 94 Ca 0.35 1.63 -0.15 0.00 0.48 0.00 0.00 55.95 58.25 2qux s SER 94 Cb 0.27 -2.32 -0.08 0.00 0.10 0.00 0.00 66.02 63.99 2qux s SER 94 CO 0.10 -2.36 0.88 0.42 0.98 0.00 0.00 173.24 173.25 2qux s THR 95 N -2.93 4.61 0.15 2.02 -4.23 -1.26 -4.99 115.64 109.00 2qux s THR 95 Ca 0.62 1.05 -0.13 0.00 -1.18 0.00 0.00 61.69 62.05 2qux s THR 95 Cb -0.17 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.00 2qux s THR 95 CO 0.56 -0.49 1.64 -0.08 -0.54 0.00 0.00 174.62 175.71 2qux h GLU 96 N 1.41 0.81 -0.81 3.99 4.81 -1.99 -2.59 114.58 120.20 2qux h GLU 96 Ca -0.47 -0.21 0.11 0.00 -0.13 0.00 0.00 59.36 58.66 2qux h GLU 96 Cb 1.18 -0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.38 2qux h GLU 96 CO 0.63 0.80 0.43 0.00 -0.73 0.00 0.00 179.01 180.14 2qux h ALA 97 N 0.97 1.17 -0.49 2.92 0.00 -1.98 0.11 119.26 121.96 2qux h ALA 97 Ca 0.15 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 2qux h ALA 97 Cb 0.38 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2qux h ALA 97 CO 0.01 -0.00 -0.13 0.66 0.00 0.00 0.00 179.25 179.79 2qux h SER 98 N 0.69 0.96 -0.43 0.00 4.64 -1.89 0.30 113.55 117.82 2qux h SER 98 Ca 0.41 -0.36 -0.10 0.00 -0.47 0.00 0.00 61.79 61.26 2qux h SER 98 Cb 0.47 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 2qux h SER 98 CO -0.29 1.10 -0.13 0.03 -0.87 0.00 0.00 176.83 176.67 2qux h ARG 99 N 0.81 0.85 -0.85 4.77 3.08 -1.27 -1.41 114.38 120.35 2qux h ARG 99 Ca 0.12 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 2qux h ARG 99 Cb 0.69 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 2qux h ARG 99 CO 0.05 0.97 0.45 -0.22 -1.07 0.00 0.00 179.97 180.15 2qux h LYS 100 N 0.68 1.19 -0.30 0.04 1.63 -0.68 -1.88 116.57 117.26 2qux h LYS 100 Ca 0.11 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2qux h LYS 100 Cb 0.67 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2qux h LYS 100 CO 0.05 0.89 0.13 1.03 -3.45 0.00 0.00 179.45 178.10 2qux h SER 101 N 1.20 0.40 -0.55 4.20 0.87 -0.28 0.24 113.55 119.64 2qux h SER 101 Ca 0.30 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.76 2qux h SER 101 Cb 0.06 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 2qux h SER 101 CO -0.04 0.43 0.28 0.25 -0.53 0.00 0.00 176.83 177.22 2qux h LEU 102 N 0.35 0.40 0.15 2.23 5.85 -1.13 -0.77 115.31 122.38 2qux h LEU 102 Ca 0.10 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2qux h LEU 102 Cb 0.15 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2qux h LEU 102 CO -0.01 0.27 -0.07 0.22 -0.34 0.00 0.00 178.44 178.50 2qux h TYR 103 N 0.53 -0.19 -0.57 1.25 3.20 -1.19 -2.01 116.97 117.99 2qux h TYR 103 Ca 0.24 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2qux h TYR 103 Cb 0.16 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2qux h TYR 103 CO -0.10 0.03 0.26 -0.44 -1.64 0.00 0.00 178.16 176.27 2qux h ASP 104 N -0.39 0.73 0.29 -2.11 3.32 -0.79 0.36 116.42 117.83 2qux h ASP 104 Ca -0.02 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 56.73 2qux h ASP 104 Cb 0.31 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.68 2qux h ASP 104 CO 0.03 0.63 -0.91 -0.07 -1.72 0.00 0.00 179.24 177.21 2qux h LEU 105 N 0.81 0.55 -0.37 1.55 3.38 -1.17 -1.34 115.31 118.72 2qux h LEU 105 Ca 0.20 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2qux h LEU 105 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qux h LEU 105 CO -0.02 1.22 -0.17 0.74 0.09 0.00 0.00 178.44 180.30 2qux h THR 106 N 0.25 1.28 -0.45 0.22 2.02 -1.19 0.81 112.91 115.85 2qux h THR 106 Ca -0.07 -1.29 0.03 0.00 0.77 0.00 0.00 66.41 65.86 2qux h THR 106 Cb 1.53 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 2qux h THR 106 CO 0.16 0.42 0.24 0.50 0.37 0.00 0.00 175.52 177.21 2qux h LYS 107 N 0.56 0.46 -0.69 6.66 3.64 -0.92 -0.85 116.57 125.42 2qux h LYS 107 Ca 0.08 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2qux h LYS 107 Cb 0.71 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 2qux h LYS 107 CO 0.05 0.30 0.29 1.03 -2.27 0.00 0.00 179.45 178.86 2qux h SER 108 N 0.47 0.93 0.51 4.20 0.87 -1.18 -2.68 113.55 116.67 2qux h SER 108 Ca 0.19 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 2qux h SER 108 Cb 0.09 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2qux h SER 108 CO -0.13 0.83 -0.25 0.25 -0.53 0.00 0.00 176.83 177.01 2qux h LEU 109 N 0.97 -0.58 -1.25 2.23 5.85 -0.36 -2.92 115.31 119.24 2qux h LEU 109 Ca 0.23 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.01 2qux h LEU 109 Cb 0.18 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 2qux h LEU 109 CO -0.02 -0.40 0.53 0.58 -0.34 0.00 0.00 178.44 178.78 2qux h VAL 110 N -0.70 1.09 0.00 1.05 2.07 -1.22 -2.22 116.25 116.32 2qux h VAL 110 Ca -0.07 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2qux h VAL 110 Cb 0.53 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2qux h VAL 110 CO 0.12 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.88 2qux h ALA 111 N 1.55 1.00 -2.81 1.67 0.00 -1.39 -3.41 119.26 115.86 2qux h ALA 111 Ca 0.33 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.72 2qux h ALA 111 Cb 0.13 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.99 2qux h ALA 111 CO -0.11 0.00 0.56 0.95 0.00 0.00 0.00 179.25 180.65 2qux s THR 112 N -3.48 2.84 0.39 0.00 -4.23 -0.84 -4.91 115.64 105.41 2qux s THR 112 Ca 0.02 0.72 0.28 0.00 -1.18 0.00 0.00 61.69 61.53 2qux s THR 112 Cb 0.09 -3.41 0.30 0.00 1.34 0.00 0.00 72.50 70.82 2qux s THR 112 CO 0.43 0.08 2.06 0.77 -0.54 0.00 0.00 174.62 177.42 2qux h SER 113 N 2.56 0.00 -0.45 3.99 4.64 -1.89 -1.52 113.55 120.88 2qux h SER 113 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 2qux h SER 113 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 2qux h SER 113 CO 0.62 0.12 0.29 1.56 -0.87 0.00 0.00 176.83 178.54 2qux h GLN 114 N 0.00 0.56 -0.28 4.77 4.20 -1.92 -0.78 115.11 121.65 2qux h GLN 114 Ca -0.00 -0.03 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 2qux h GLN 114 Cb 0.36 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2qux h GLN 114 CO 0.01 0.37 -0.44 0.28 -0.67 0.00 0.00 178.83 178.39 2qux h VAL 115 N 0.58 1.29 -0.41 -0.54 2.07 -1.68 -1.81 116.25 115.75 2qux h VAL 115 Ca 0.17 -1.63 0.07 0.00 0.82 0.00 0.00 66.70 66.14 2qux h VAL 115 Cb -0.03 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 2qux h VAL 115 CO -0.06 0.53 0.02 -0.08 0.02 0.00 0.00 177.57 178.00 2qux h GLU 116 N 0.56 0.12 -0.80 1.57 4.81 -1.28 -1.37 114.58 118.20 2qux h GLU 116 Ca 0.03 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2qux h GLU 116 Cb 1.04 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.36 2qux h GLU 116 CO 0.10 0.08 0.42 0.22 -0.73 0.00 0.00 179.01 179.11 2qux h ASP 117 N 0.13 1.00 -0.11 1.04 3.58 -1.09 0.12 116.42 121.09 2qux h ASP 117 Ca 0.20 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2qux h ASP 117 Cb 0.28 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 2qux h ASP 117 CO -0.32 0.82 0.04 0.25 -2.88 0.00 0.00 179.24 177.14 2qux h LEU 118 N 1.12 0.16 0.00 2.28 5.85 -0.91 0.90 115.31 124.72 2qux h LEU 118 Ca 0.28 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2qux h LEU 118 Cb 0.05 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2qux h LEU 118 CO -0.04 0.32 -0.04 0.58 -0.34 0.00 0.00 178.44 178.91 2qux h VAL 119 N 0.00 1.62 -0.30 1.05 2.07 -1.12 -0.35 116.25 119.22 2qux h VAL 119 Ca 0.04 -1.89 -0.15 0.00 0.82 0.00 0.00 66.70 65.52 2qux h VAL 119 Cb 0.21 2.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2qux h VAL 119 CO -0.00 0.50 -0.39 0.58 0.02 0.00 0.00 177.57 178.27 2qux h VAL 120 N -0.75 1.29 -0.00 2.57 2.07 -0.88 -3.39 116.25 117.17 2qux h VAL 120 Ca -0.01 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2qux h VAL 120 Cb 0.83 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2qux h VAL 120 CO 0.01 0.51 -0.09 0.59 0.02 0.00 0.00 177.57 178.61 2qux n ASN 121 N -4.15 0.20 -1.52 0.57 3.02 0.24 -5.03 115.26 108.60 2qux n ASN 121 Ca -0.04 -0.60 -0.15 0.00 -0.03 0.00 0.00 54.58 53.76 2qux n ASN 121 Cb 0.54 0.91 -0.02 0.00 -0.61 0.00 0.00 39.78 40.59 2qux n ASN 121 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qux n LEU 122 N -0.94 -1.49 -4.70 3.41 4.77 -0.14 -4.96 117.00 112.95 2qux n LEU 122 Ca 0.00 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.66 2qux n LEU 122 Cb 0.04 -2.21 -0.03 0.00 -2.33 0.00 0.00 43.42 38.89 2qux n LEU 122 CO 0.04 -0.34 0.78 -0.69 -1.33 0.00 0.00 177.39 175.85 2qux s VAL 123 N -2.68 4.66 0.75 4.08 1.01 -1.14 -4.93 120.40 122.15 2qux s VAL 123 Ca 0.00 1.92 -0.15 0.00 0.00 0.00 0.00 61.98 63.75 2qux s VAL 123 Cb 0.00 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.18 2qux s VAL 123 CO 0.00 0.08 1.10 -2.65 0.00 0.00 0.00 175.10 173.62 2qux n PRO 124 N 4.47 0.46 -1.35 2.72 -0.02 -1.26 -3.46 135.00 136.56 2qux n PRO 124 Ca 0.08 0.22 -0.30 0.00 -2.02 0.00 0.00 63.50 61.48 2qux n PRO 124 Cb 0.49 -2.34 0.11 0.00 -0.02 0.00 0.00 33.50 31.73 2qux n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qux s LEU 125 N -4.23 2.58 0.00 2.45 1.43 -1.26 -4.92 118.68 114.73 2qux s LEU 125 Ca 0.74 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 2qux s LEU 125 Cb -0.33 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 41.81 2qux s LEU 125 CO 0.49 -2.22 0.00 0.61 0.23 0.00 0.00 176.35 175.46 2qux n GLY 126 N -1.51 1.67 0.00 -3.19 0.00 -1.26 -5.20 105.19 95.70 2qux n GLY 126 Ca 0.07 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2qux n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86