#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qux s SER 1 N 0.00 4.68 0.32 6.12 1.04 -1.26 -5.01 113.70 119.59 2qux s SER 1 Ca 0.00 1.92 -0.21 0.00 0.48 0.00 0.00 55.95 58.14 2qux s SER 1 Cb 0.00 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.49 2qux s SER 1 CO 0.00 -1.92 0.85 -0.54 0.98 0.00 0.00 173.24 172.61 2qux s LYS 2 N -4.54 4.31 0.10 4.02 -0.14 -1.26 -4.91 119.74 117.32 2qux s LYS 2 Ca 0.64 1.04 -0.00 0.00 -1.36 0.00 0.00 55.97 56.29 2qux s LYS 2 Cb -0.19 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.30 2qux s LYS 2 CO 0.50 0.22 -0.00 0.95 -0.76 0.00 0.00 175.35 176.26 2qux s THR 3 N -1.78 0.33 -0.06 2.17 -4.23 -1.26 -0.75 115.64 110.07 2qux s THR 3 Ca 0.51 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2qux s THR 3 Cb -0.14 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 71.91 2qux s THR 3 CO 0.19 -0.73 -0.10 -0.51 -0.54 0.00 0.00 174.62 172.93 2qux s ILE 4 N -3.87 0.98 -0.26 2.99 2.07 -0.37 -4.99 121.20 117.75 2qux s ILE 4 Ca 0.16 -0.38 -0.07 0.00 -1.41 0.00 0.00 60.65 58.95 2qux s ILE 4 Cb 0.07 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.73 2qux s ILE 4 CO -0.03 0.32 0.06 -0.69 -1.91 0.00 0.00 174.94 172.69 2qux s VAL 5 N 0.75 4.09 -0.08 4.00 1.01 -1.26 -1.04 120.40 127.88 2qux s VAL 5 Ca -0.13 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2qux s VAL 5 Cb -0.15 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2qux s VAL 5 CO 0.02 0.27 0.13 -0.76 0.00 0.00 0.00 175.10 174.77 2qux s LEU 6 N 1.56 4.26 -0.09 3.92 1.43 0.57 -4.92 118.68 125.41 2qux s LEU 6 Ca 0.05 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2qux s LEU 6 Cb -0.16 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.87 2qux s LEU 6 CO 0.02 0.36 -0.19 -0.94 0.23 0.00 0.00 176.35 175.83 2qux s SER 7 N -1.31 2.60 -0.49 2.29 1.04 -1.26 0.85 113.70 117.42 2qux s SER 7 Ca 0.19 -0.46 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 2qux s SER 7 Cb -0.12 -1.19 0.13 0.00 0.10 0.00 0.00 66.02 64.94 2qux s SER 7 CO 0.08 0.11 0.28 -0.69 0.98 0.00 0.00 173.24 174.00 2qux s VAL 8 N 0.50 3.34 0.00 5.02 1.01 -0.19 -4.99 120.40 125.09 2qux s VAL 8 Ca -0.16 -2.46 0.00 0.00 0.00 0.00 0.00 61.98 59.36 2qux s VAL 8 Cb -0.17 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2qux s VAL 8 CO 0.06 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.02 2qux n GLY 9 N 4.11 3.19 0.13 4.51 0.00 -1.26 -2.72 105.19 113.16 2qux n GLY 9 Ca 0.02 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2qux n GLY 9 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qux h GLU 10 N 0.00 0.42 -6.96 1.61 4.39 -2.02 -3.46 114.58 108.56 2qux h GLU 10 Ca 0.00 -0.72 -0.51 0.00 0.34 0.00 0.00 59.36 58.47 2qux h GLU 10 Cb 0.00 0.27 0.07 0.00 -0.10 0.00 0.00 28.75 28.98 2qux h GLU 10 CO 0.00 1.33 0.53 0.00 -1.16 0.00 0.00 179.01 179.71 2qux s ALA 11 N -2.61 3.13 0.20 3.43 0.00 -1.10 -5.06 121.76 119.74 2qux s ALA 11 Ca -0.09 1.05 0.11 0.00 0.00 0.00 0.00 51.96 53.03 2qux s ALA 11 Cb 0.05 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2qux s ALA 11 CO 0.90 -0.68 -0.23 0.95 0.00 0.00 0.00 175.76 176.70 2qux s THR 12 N -1.39 2.39 -0.11 0.00 -4.23 -1.26 -1.02 115.64 110.02 2qux s THR 12 Ca 0.59 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.04 2qux s THR 12 Cb -0.33 -2.16 0.03 0.00 1.34 0.00 0.00 72.50 71.38 2qux s THR 12 CO 0.41 -0.14 -0.06 -0.13 -0.54 0.00 0.00 174.62 174.16 2qux s ARG 13 N -2.75 1.33 -0.28 3.99 1.81 0.25 -4.96 118.95 118.35 2qux s ARG 13 Ca 0.22 -0.23 -0.10 0.00 -1.72 0.00 0.00 55.73 53.90 2qux s ARG 13 Cb -0.08 -1.54 -0.04 0.00 -0.45 0.00 0.00 34.95 32.84 2qux s ARG 13 CO 0.10 -0.30 0.17 0.99 -0.68 0.00 0.00 175.30 175.58 2qux s THR 14 N 1.75 5.02 -0.22 0.02 2.01 -1.26 -0.32 115.64 122.65 2qux s THR 14 Ca 0.04 -0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 2qux s THR 14 Cb -0.13 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2qux s THR 14 CO -0.08 0.22 0.09 -0.76 -0.69 0.00 0.00 174.62 173.40 2qux s LEU 15 N 1.71 3.75 -0.07 4.42 1.02 -0.20 -4.25 118.68 125.06 2qux s LEU 15 Ca 0.07 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.17 2qux s LEU 15 Cb -0.16 -1.98 -0.04 0.00 0.02 0.00 0.00 46.19 44.03 2qux s LEU 15 CO 0.09 0.08 0.07 -0.89 0.02 0.00 0.00 176.35 175.71 2qux s THR 16 N 0.97 4.80 0.16 5.49 2.01 0.27 -1.24 115.64 128.10 2qux s THR 16 Ca 0.05 -0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.57 2qux s THR 16 Cb -0.14 -3.10 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 2qux s THR 16 CO 0.03 0.52 1.33 -0.70 -0.69 0.00 0.00 174.62 175.11 2qux s GLU 17 N -1.23 4.37 0.43 4.92 2.12 0.07 -0.26 118.70 129.13 2qux s GLU 17 Ca 0.17 2.03 0.07 0.00 0.36 0.00 0.00 54.97 57.60 2qux s GLU 17 Cb -0.12 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 2qux s GLU 17 CO 0.07 -0.32 0.16 0.96 -0.54 0.00 0.00 175.26 175.59 2qux s ILE 18 N 0.55 2.10 0.49 -3.70 -4.36 0.09 -4.81 121.20 111.57 2qux s ILE 18 Ca 0.60 -1.75 -0.22 0.00 -0.26 0.00 0.00 60.65 59.02 2qux s ILE 18 Cb -0.36 -2.85 -0.07 0.00 1.25 0.00 0.00 42.46 40.43 2qux s ILE 18 CO 0.34 0.00 1.17 -1.58 0.24 0.00 0.00 174.94 175.12 2qux s GLN 19 N -3.90 3.57 0.30 0.37 2.00 -1.26 -4.37 119.66 116.37 2qux s GLN 19 Ca 0.36 1.77 0.01 0.00 -2.00 0.00 0.00 55.36 55.51 2qux s GLN 19 Cb 0.04 -2.27 -0.00 0.00 0.80 0.00 0.00 33.01 31.57 2qux s GLN 19 CO 0.20 -0.70 0.37 -1.13 -0.50 0.00 0.00 175.29 173.53 2qux n SER 20 N -0.78 -1.02 -4.70 6.67 3.41 -1.26 -4.83 113.62 111.11 2qux n SER 20 Ca 0.09 -2.72 -0.29 0.00 -0.26 0.00 0.00 58.87 55.69 2qux n SER 20 Cb 0.49 1.99 0.15 0.00 -0.26 0.00 0.00 64.21 66.58 2qux n SER 20 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qux s THR 21 N -2.88 1.98 0.39 6.66 -4.23 -1.26 -4.98 115.64 111.31 2qux s THR 21 Ca 0.28 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.92 2qux s THR 21 Cb -0.00 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 71.27 2qux s THR 21 CO 0.20 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 176.15 2qux h ALA 22 N -1.65 1.47 -0.00 3.99 0.00 -2.04 -3.13 119.26 117.90 2qux h ALA 22 Ca -0.51 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2qux h ALA 22 Cb 1.33 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2qux h ALA 22 CO 0.59 0.40 -0.00 -0.40 0.00 0.00 0.00 179.25 179.83 2qux n ASP 23 N -4.17 0.12 -3.63 0.00 3.85 -1.26 -4.92 116.55 106.54 2qux n ASP 23 Ca -0.02 -0.91 -0.13 0.00 -0.71 0.00 0.00 54.79 53.01 2qux n ASP 23 Cb 0.35 -0.04 -0.06 0.00 -1.35 0.00 0.00 41.12 40.03 2qux n ASP 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qux s ARG 24 N -2.09 0.97 0.01 0.11 1.70 -1.18 -4.42 118.95 114.04 2qux s ARG 24 Ca 0.44 -0.32 -0.03 0.00 -0.47 0.00 0.00 55.73 55.36 2qux s ARG 24 Cb 0.22 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.99 2qux s ARG 24 CO 0.38 -0.34 0.20 -0.65 -1.08 0.00 0.00 175.30 173.81 2qux s GLN 25 N -2.49 3.46 -0.05 3.89 -0.21 0.66 -4.34 119.66 120.58 2qux s GLN 25 Ca -0.05 -0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.05 2qux s GLN 25 Cb -0.01 -3.08 0.01 0.00 1.00 0.00 0.00 33.01 30.94 2qux s GLN 25 CO -0.02 0.66 -0.10 0.42 -2.12 0.00 0.00 175.29 174.12 2qux s ILE 26 N -1.36 0.95 0.01 1.08 1.01 -1.26 -1.11 121.20 120.52 2qux s ILE 26 Ca 0.29 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.64 2qux s ILE 26 Cb -0.13 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 2qux s ILE 26 CO 0.20 0.31 -0.25 -0.36 0.00 0.00 0.00 174.94 174.84 2qux s PHE 27 N 0.64 2.24 -0.05 3.97 0.40 0.77 -0.73 117.98 125.23 2qux s PHE 27 Ca -0.12 -0.42 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 2qux s PHE 27 Cb -0.15 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.00 2qux s PHE 27 CO 0.02 0.04 0.13 -2.00 0.70 0.00 0.00 175.22 174.11 2qux s GLU 28 N -0.89 0.14 -0.46 0.44 2.12 0.64 0.02 118.70 120.70 2qux s GLU 28 Ca 0.10 0.21 -0.28 0.00 0.36 0.00 0.00 54.97 55.36 2qux s GLU 28 Cb -0.10 0.03 -0.00 0.00 0.26 0.00 0.00 34.13 34.32 2qux s GLU 28 CO 0.00 -0.04 1.60 -2.00 -0.54 0.00 0.00 175.26 174.28 2qux s GLU 29 N 0.26 3.27 -1.35 4.30 2.12 -0.20 -0.56 118.70 126.53 2qux s GLU 29 Ca -0.02 0.88 -0.12 0.00 0.36 0.00 0.00 54.97 56.08 2qux s GLU 29 Cb -0.03 -4.16 0.11 0.00 0.26 0.00 0.00 34.13 30.31 2qux s GLU 29 CO -0.01 -1.95 2.01 1.63 -0.54 0.00 0.00 175.26 176.40 2qux n LYS 30 N 8.53 3.28 -3.96 4.30 5.02 -1.26 -4.44 118.16 129.62 2qux n LYS 30 Ca 0.18 -3.14 -0.09 0.00 -2.02 0.00 0.00 58.31 53.24 2qux n LYS 30 Cb 0.49 -3.10 -0.11 0.00 -0.02 0.00 0.00 35.03 32.29 2qux n LYS 30 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qux s VAL 31 N 1.72 0.11 0.00 -0.18 -7.23 -1.26 -5.12 120.40 108.45 2qux s VAL 31 Ca 0.43 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 2qux s VAL 31 Cb 0.11 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.64 2qux s VAL 31 CO -0.03 -0.52 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 2qux n GLY 32 N 1.43 -1.11 3.74 2.32 0.00 -1.26 -4.84 105.19 105.47 2qux n GLY 32 Ca -0.23 -1.29 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 2qux n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qux s PRO 33 N 0.00 1.81 0.53 1.61 0.04 -1.26 -4.94 135.00 132.79 2qux s PRO 33 Ca 0.00 1.06 0.35 0.00 0.04 0.00 0.00 61.00 62.45 2qux s PRO 33 Cb 0.00 -1.85 1.82 0.00 0.04 0.00 0.00 34.50 34.50 2qux s PRO 33 CO 0.00 -1.92 2.07 -0.07 0.04 0.00 0.00 177.00 177.12 2qux h LEU 34 N -1.33 0.00 -9.87 -3.56 3.38 -2.01 -3.42 115.31 98.51 2qux h LEU 34 Ca -0.46 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.90 2qux h LEU 34 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 2qux h LEU 34 CO 0.52 0.00 -0.43 0.68 0.09 0.00 0.00 178.44 179.30 2qux s VAL 35 N -3.84 5.33 -1.37 1.22 -7.23 -1.26 -4.57 120.40 108.68 2qux s VAL 35 Ca -0.02 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2qux s VAL 35 Cb 0.10 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.45 2qux s VAL 35 CO 0.38 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 2qux n GLY 36 N 0.57 1.35 3.77 2.32 0.00 -1.26 -4.99 105.19 106.94 2qux n GLY 36 Ca -0.07 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.02 3.88 0.22 1.61 0.52 -1.26 -4.30 118.95 116.61 2qux s ARG 37 Ca 0.00 1.99 -0.30 0.00 -0.52 0.00 0.00 55.73 56.90 2qux s ARG 37 Cb 0.00 -2.62 -0.09 0.00 0.52 0.00 0.00 34.95 32.75 2qux s ARG 37 CO 0.00 -0.51 1.40 -1.17 0.02 0.00 0.00 175.30 175.04 2qux s LEU 38 N -2.65 4.39 -0.04 2.53 2.96 -1.26 -4.81 118.68 119.80 2qux s LEU 38 Ca 0.59 2.55 0.02 0.00 -0.22 0.00 0.00 54.13 57.07 2qux s LEU 38 Cb -0.34 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.75 2qux s LEU 38 CO 0.43 -0.64 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.15 2qux s ARG 39 N -0.10 0.87 -0.19 1.98 3.52 -1.11 -1.03 118.95 122.89 2qux s ARG 39 Ca 0.59 -0.19 -0.01 0.00 -0.13 0.00 0.00 55.73 55.99 2qux s ARG 39 Cb -0.40 -0.83 0.00 0.00 -1.56 0.00 0.00 34.95 32.16 2qux s ARG 39 CO 0.40 0.00 -0.13 -1.17 -0.81 0.00 0.00 175.30 173.59 2qux s LEU 40 N 0.57 2.50 -0.19 -0.88 2.96 0.10 -1.51 118.68 122.23 2qux s LEU 40 Ca -0.08 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.27 2qux s LEU 40 Cb -0.12 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 2qux s LEU 40 CO 0.01 0.02 0.01 -0.89 -1.32 0.00 0.00 176.35 174.17 2qux s THR 41 N 1.22 4.07 0.02 3.68 2.01 -0.61 -0.16 115.64 125.88 2qux s THR 41 Ca 0.02 -0.28 0.08 0.00 0.31 0.00 0.00 61.69 61.83 2qux s THR 41 Cb -0.14 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.51 2qux s THR 41 CO -0.06 0.44 -0.24 0.00 -0.69 0.00 0.00 174.62 174.07 2qux s ALA 42 N 0.86 2.32 0.05 7.40 0.00 -0.27 -1.19 121.76 130.93 2qux s ALA 42 Ca 0.01 -1.20 -0.06 0.00 0.00 0.00 0.00 51.96 50.71 2qux s ALA 42 Cb -0.14 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 2qux s ALA 42 CO 0.02 0.54 0.12 -1.54 0.00 0.00 0.00 175.76 174.90 2qux s SER 43 N -1.07 0.17 -0.11 0.00 1.04 -0.08 -0.24 113.70 113.41 2qux s SER 43 Ca 0.12 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 2qux s SER 43 Cb -0.10 0.25 0.03 0.00 0.10 0.00 0.00 66.02 66.31 2qux s SER 43 CO 0.02 -0.56 -0.01 -0.22 0.98 0.00 0.00 173.24 173.45 2qux s LEU 44 N -2.29 0.86 0.10 2.42 2.96 -1.26 -1.65 118.68 119.82 2qux s LEU 44 Ca -0.02 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.66 2qux s LEU 44 Cb 0.01 -0.56 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 2qux s LEU 44 CO -0.06 -0.20 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.47 2qux s ARG 45 N 1.89 1.00 -0.02 1.98 0.52 -0.51 -4.98 118.95 118.83 2qux s ARG 45 Ca 0.04 -1.11 0.04 0.00 -0.52 0.00 0.00 55.73 54.17 2qux s ARG 45 Cb -0.13 -1.10 -0.03 0.00 0.52 0.00 0.00 34.95 34.20 2qux s ARG 45 CO -0.06 0.24 -0.12 -1.14 0.02 0.00 0.00 175.30 174.24 2qux s GLN 46 N -2.02 2.46 1.08 3.54 0.74 -1.26 -0.08 119.66 124.13 2qux s GLN 46 Ca 0.04 -0.74 -0.15 0.00 0.05 0.00 0.00 55.36 54.57 2qux s GLN 46 Cb -0.09 -2.40 0.23 0.00 1.10 0.00 0.00 33.01 31.85 2qux s GLN 46 CO 0.03 0.61 1.10 0.54 -0.55 0.00 0.00 175.29 177.02 2qux s ASN 47 N -1.05 1.97 0.20 6.67 4.22 -0.63 -4.90 114.94 121.42 2qux s ASN 47 Ca 0.14 0.96 -0.11 0.00 -2.14 0.00 0.00 52.86 51.71 2qux s ASN 47 Cb -0.11 -1.47 0.21 0.00 1.28 0.00 0.00 41.25 41.17 2qux s ASN 47 CO 0.03 -3.51 1.78 1.23 -2.04 0.00 0.00 177.10 174.59 2qux h GLY 48 N -2.15 0.84 1.55 0.45 0.00 -2.00 -2.28 103.07 99.48 2qux h GLY 48 Ca -0.51 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2qux h GLY 48 CO 0.50 0.09 0.00 0.00 0.00 0.00 0.00 176.54 177.12 2qux n ALA 49 N -2.38 2.26 -2.93 3.60 0.00 -1.26 -4.93 120.51 114.87 2qux n ALA 49 Ca 0.07 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.19 2qux n ALA 49 Cb 0.19 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.25 2qux n ALA 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qux n LYS 50 N -1.27 -3.48 -0.00 0.00 5.02 -0.86 -4.90 118.16 112.67 2qux n LYS 50 Ca 0.12 0.72 0.09 0.00 -2.02 0.00 0.00 58.31 57.21 2qux n LYS 50 Cb 0.19 -5.45 -0.11 0.00 -0.02 0.00 0.00 35.03 29.64 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 -4.03 0.00 -3.79 -0.18 -2.24 -1.26 -4.88 114.28 97.90 2qux n THR 51 Ca -0.10 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 2qux n THR 51 Cb 0.60 0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.87 -0.48 0.12 6.98 0.00 -1.26 -0.62 121.76 123.63 2qux s ALA 52 Ca 0.02 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 51.74 2qux s ALA 52 Cb 0.13 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 2qux s ALA 52 CO 0.74 -0.50 -0.18 0.71 0.00 0.00 0.00 175.76 176.54 2qux s TYR 53 N -3.41 2.54 -0.21 0.00 2.02 0.21 -1.61 117.35 116.89 2qux s TYR 53 Ca 0.01 -0.26 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 2qux s TYR 53 Cb 0.02 -1.34 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 2qux s TYR 53 CO -0.09 0.40 -0.09 1.03 -1.57 0.00 0.00 175.55 175.23 2qux s ARG 54 N -2.19 3.25 -0.19 -0.62 1.81 0.89 -1.05 118.95 120.85 2qux s ARG 54 Ca 0.18 -0.69 -0.16 0.00 -1.72 0.00 0.00 55.73 53.34 2qux s ARG 54 Cb -0.10 -2.87 -0.04 0.00 -0.45 0.00 0.00 34.95 31.49 2qux s ARG 54 CO 0.10 -0.20 0.42 0.08 -0.68 0.00 0.00 175.30 175.02 2qux s VAL 55 N 1.42 5.19 -0.13 3.52 1.01 0.32 -1.42 120.40 130.30 2qux s VAL 55 Ca 0.05 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 2qux s VAL 55 Cb -0.14 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2qux s VAL 55 CO -0.06 0.26 -0.11 0.20 0.00 0.00 0.00 175.10 175.38 2qux s ASN 56 N 0.96 4.15 -0.02 3.32 -0.87 -0.66 -0.78 114.94 121.04 2qux s ASN 56 Ca 0.20 -0.29 0.05 0.00 -1.57 0.00 0.00 52.86 51.25 2qux s ASN 56 Cb -0.15 -1.64 -0.01 0.00 -0.02 0.00 0.00 41.25 39.43 2qux s ASN 56 CO 0.08 0.17 -0.16 -0.76 -2.57 0.00 0.00 177.10 173.86 2qux s LEU 57 N 0.35 2.00 -0.20 0.60 1.43 -0.83 -0.90 118.68 121.13 2qux s LEU 57 Ca -0.10 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2qux s LEU 57 Cb -0.16 -0.83 0.08 0.00 0.03 0.00 0.00 46.19 45.31 2qux s LEU 57 CO 0.05 0.18 0.17 -0.75 0.23 0.00 0.00 176.35 176.23 2qux s LYS 58 N -0.28 0.14 -0.30 1.70 2.20 -0.33 0.87 119.74 123.73 2qux s LYS 58 Ca 0.04 0.03 -0.17 0.00 -0.36 0.00 0.00 55.97 55.51 2qux s LYS 58 Cb -0.07 -1.43 -0.02 0.00 -1.51 0.00 0.00 37.83 34.80 2qux s LYS 58 CO -0.00 -0.70 0.48 -1.17 -0.36 0.00 0.00 175.35 173.60 2qux s LEU 59 N 2.24 4.18 -0.25 5.43 2.96 -0.64 -1.57 118.68 131.03 2qux s LEU 59 Ca 0.05 0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 2qux s LEU 59 Cb -0.16 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2qux s LEU 59 CO -0.13 -0.34 0.10 -1.81 -1.32 0.00 0.00 176.35 172.85 2qux s ASP 60 N 1.66 5.47 -0.28 3.68 1.01 -0.57 -1.61 116.67 126.03 2qux s ASP 60 Ca 0.18 -0.11 0.02 0.00 0.71 0.00 0.00 52.55 53.36 2qux s ASP 60 Cb -0.16 -1.99 0.06 0.00 1.01 0.00 0.00 42.92 41.85 2qux s ASP 60 CO 0.11 -0.01 -0.07 -1.58 0.21 0.00 0.00 175.17 173.83 2qux s GLN 61 N 1.47 2.27 0.06 8.23 0.74 0.60 -2.74 119.66 130.28 2qux s GLN 61 Ca 0.06 -1.35 -0.19 0.00 0.05 0.00 0.00 55.36 53.93 2qux s GLN 61 Cb -0.15 -2.99 -0.06 0.00 1.10 0.00 0.00 33.01 30.90 2qux s GLN 61 CO 0.05 -0.60 0.56 0.00 -0.55 0.00 0.00 175.29 174.75 2qux s ALA 62 N 1.14 3.58 -0.41 1.58 0.00 -1.26 -0.94 121.76 125.45 2qux s ALA 62 Ca -0.07 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 2qux s ALA 62 Cb -0.20 -2.63 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2qux s ALA 62 CO -0.04 0.37 0.60 0.34 0.00 0.00 0.00 175.76 177.03 2qux s ASP 63 N -0.98 6.32 -0.18 0.00 2.15 0.27 -4.96 116.67 119.28 2qux s ASP 63 Ca 0.29 -0.25 -0.09 0.00 0.43 0.00 0.00 52.55 52.93 2qux s ASP 63 Cb -0.19 -2.30 -0.05 0.00 -0.30 0.00 0.00 42.92 40.08 2qux s ASP 63 CO 0.18 -0.68 0.11 -0.69 -0.17 0.00 0.00 175.17 173.92 2qux s VAL 64 N 2.66 5.23 -0.19 1.11 1.01 -1.26 0.11 120.40 129.07 2qux s VAL 64 Ca 0.21 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 2qux s VAL 64 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2qux s VAL 64 CO 0.17 0.47 -0.12 0.68 0.00 0.00 0.00 175.10 176.29 2qux s VAL 65 N 0.19 2.76 -0.61 2.92 -7.23 -0.68 -4.95 120.40 112.79 2qux s VAL 65 Ca 0.07 -0.71 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 2qux s VAL 65 Cb -0.11 -2.20 0.15 0.00 0.56 0.00 0.00 36.38 34.77 2qux s VAL 65 CO -0.01 0.49 0.39 -0.62 -0.31 0.00 0.00 175.10 175.04 2qux s ASP 66 N 1.23 4.67 -0.77 4.85 2.15 -1.26 -2.05 116.67 125.49 2qux s ASP 66 Ca 0.03 -3.32 0.03 0.00 0.43 0.00 0.00 52.55 49.71 2qux s ASP 66 Cb -0.14 -1.68 0.29 0.00 -0.30 0.00 0.00 42.92 41.09 2qux s ASP 66 CO -0.06 -0.19 1.05 -1.20 -0.17 0.00 0.00 175.17 174.60 2qux n SER 67 N 2.72 4.84 0.00 -0.34 7.64 -1.26 -4.85 113.62 122.37 2qux n SER 67 Ca 0.11 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.49 2qux n SER 67 Cb 0.34 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2qux n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qux n GLY 68 N 0.70 1.69 3.18 0.23 0.00 -1.26 -5.03 105.19 104.70 2qux n GLY 68 Ca 0.31 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 2.05 0.32 0.99 1.43 -1.26 -5.12 118.68 117.09 2qux s LEU 75 Ca 0.00 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 2qux s LEU 75 Cb 0.00 -0.92 -0.10 0.00 0.03 0.00 0.00 46.19 45.20 2qux s LEU 75 CO 0.00 0.21 1.33 -2.16 0.23 0.00 0.00 176.35 175.96 2qux s PRO 76 N -0.50 4.33 -0.03 1.29 0.04 -1.26 -4.61 135.00 134.26 2qux s PRO 76 Ca 0.07 2.25 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2qux s PRO 76 Cb -0.07 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.41 2qux s PRO 76 CO -0.00 -0.23 -0.04 0.21 0.04 0.00 0.00 177.00 176.98 2qux s LYS 77 N -1.65 0.55 -0.20 4.56 2.20 -0.87 -4.98 119.74 119.35 2qux s LYS 77 Ca 0.50 -0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.74 2qux s LYS 77 Cb -0.40 -0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 35.29 2qux s LYS 77 CO 0.52 -0.03 1.53 0.08 -0.36 0.00 0.00 175.35 177.10 2qux s VAL 78 N 0.59 3.82 -0.01 4.02 1.01 -1.26 -1.69 120.40 126.88 2qux s VAL 78 Ca -0.07 0.94 -0.21 0.00 0.00 0.00 0.00 61.98 62.65 2qux s VAL 78 Cb -0.10 -3.77 -0.23 0.00 0.00 0.00 0.00 36.38 32.28 2qux s VAL 78 CO -0.00 -0.26 1.09 0.03 0.00 0.00 0.00 175.10 175.95 2qux h ARG 79 N 10.00 0.36 -2.87 2.72 3.08 -0.70 -3.49 114.38 123.48 2qux h ARG 79 Ca -0.32 -0.38 0.03 0.00 0.07 0.00 0.00 59.98 59.38 2qux h ARG 79 Cb 1.14 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 31.19 2qux h ARG 79 CO 0.99 1.06 0.27 1.52 -1.07 0.00 0.00 179.97 182.74 2qux s TYR 80 N -3.20 -0.41 -0.03 3.04 -0.85 -1.23 -5.01 117.35 109.65 2qux s TYR 80 Ca -0.14 0.15 0.04 0.00 -0.52 0.00 0.00 57.07 56.60 2qux s TYR 80 Cb 0.03 0.60 -0.00 0.00 0.38 0.00 0.00 41.96 42.96 2qux s TYR 80 CO 0.80 -0.90 -0.15 0.99 -1.52 0.00 0.00 175.55 174.78 2qux s THR 81 N -3.68 1.22 0.25 -3.49 2.01 -1.26 -0.57 115.64 110.11 2qux s THR 81 Ca 0.04 -0.60 0.11 0.00 0.31 0.00 0.00 61.69 61.55 2qux s THR 81 Cb -0.02 -1.05 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2qux s THR 81 CO -0.07 0.36 -0.16 -1.10 -0.69 0.00 0.00 174.62 172.95 2qux s GLN 82 N 0.05 1.79 -0.13 4.92 -0.21 -0.11 -4.97 119.66 121.00 2qux s GLN 82 Ca -0.03 -1.60 -0.09 0.00 0.02 0.00 0.00 55.36 53.67 2qux s GLN 82 Cb -0.10 -1.90 0.04 0.00 1.00 0.00 0.00 33.01 32.05 2qux s GLN 82 CO 0.01 0.36 0.32 0.08 -2.12 0.00 0.00 175.29 173.95 2qux s VAL 83 N -2.19 -0.02 -0.23 1.09 1.01 -1.26 -0.29 120.40 118.51 2qux s VAL 83 Ca 0.27 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 2qux s VAL 83 Cb -0.06 -0.46 0.06 0.00 0.00 0.00 0.00 36.38 35.91 2qux s VAL 83 CO 0.15 0.03 -0.03 0.86 0.00 0.00 0.00 175.10 176.10 2qux s TRP 84 N 0.77 2.11 0.14 5.22 -0.11 -0.64 -5.00 118.94 121.43 2qux s TRP 84 Ca -0.05 -1.58 0.07 0.00 1.22 0.00 0.00 56.10 55.76 2qux s TRP 84 Cb -0.06 -1.48 -0.04 0.00 -1.50 0.00 0.00 33.47 30.39 2qux s TRP 84 CO -0.05 -0.75 -0.07 -1.54 -4.62 0.00 0.00 176.95 169.93 2qux s SER 85 N 1.49 4.51 0.01 5.86 1.04 -1.26 -1.63 113.70 123.72 2qux s SER 85 Ca -0.04 -0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.05 2qux s SER 85 Cb -0.18 -0.88 -0.02 0.00 0.10 0.00 0.00 66.02 65.03 2qux s SER 85 CO -0.07 0.14 -0.24 -1.00 0.98 0.00 0.00 173.24 173.04 2qux s HIS 86 N -1.47 2.18 -0.21 5.02 0.09 0.25 -4.97 115.29 116.17 2qux s HIS 86 Ca 0.24 -0.41 -0.03 0.00 -0.00 0.00 0.00 55.06 54.87 2qux s HIS 86 Cb -0.10 -1.36 0.07 0.00 -0.00 0.00 0.00 32.58 31.19 2qux s HIS 86 CO 0.16 0.03 0.05 0.34 -0.00 0.00 0.00 174.74 175.32 2qux s ASP 87 N -0.86 3.00 -0.19 1.40 2.15 -1.26 -1.96 116.67 118.96 2qux s ASP 87 Ca 0.10 -0.91 -0.02 0.00 0.43 0.00 0.00 52.55 52.15 2qux s ASP 87 Cb -0.09 -0.57 -0.01 0.00 -0.30 0.00 0.00 42.92 41.94 2qux s ASP 87 CO 0.00 -0.33 -0.08 -0.69 -0.17 0.00 0.00 175.17 173.90 2qux s VAL 88 N 1.88 3.17 -0.28 1.11 1.01 0.04 -4.97 120.40 122.34 2qux s VAL 88 Ca 0.01 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.31 2qux s VAL 88 Cb -0.17 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 2qux s VAL 88 CO -0.11 0.47 0.15 -0.89 0.00 0.00 0.00 175.10 174.72 2qux s THR 89 N 1.09 4.86 -0.18 3.92 2.01 -1.26 -0.52 115.64 125.55 2qux s THR 89 Ca 0.01 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.91 2qux s THR 89 Cb -0.15 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.02 2qux s THR 89 CO -0.02 0.21 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.33 2qux s ILE 90 N 1.68 2.37 0.13 1.82 1.01 -0.22 -4.98 121.20 123.01 2qux s ILE 90 Ca 0.06 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 2qux s ILE 90 Cb -0.16 -2.01 -0.07 0.00 0.01 0.00 0.00 42.46 40.23 2qux s ILE 90 CO 0.08 0.51 1.14 -0.69 0.00 0.00 0.00 174.94 175.98 2qux s VAL 91 N 1.28 3.95 0.27 2.92 1.01 -1.26 0.65 120.40 129.21 2qux s VAL 91 Ca 0.04 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 63.53 2qux s VAL 91 Cb -0.14 -3.99 0.23 0.00 0.00 0.00 0.00 36.38 32.48 2qux s VAL 91 CO -0.10 0.21 1.91 0.00 0.00 0.00 0.00 175.10 177.12 2qux h ALA 92 N 5.81 1.29 -0.52 5.51 0.00 -1.20 -2.90 119.26 127.25 2qux h ALA 92 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2qux h ALA 92 Cb 1.21 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2qux h ALA 92 CO 0.76 0.60 0.00 0.27 0.00 0.00 0.00 179.25 180.88 2qux n ASN 93 N -4.36 4.91 -4.77 0.00 6.94 -1.26 -4.98 115.26 111.74 2qux n ASN 93 Ca 0.09 -2.70 -0.31 0.00 -0.02 0.00 0.00 54.58 51.65 2qux n ASN 93 Cb 0.07 -0.63 0.10 0.00 -2.36 0.00 0.00 39.78 36.96 2qux n ASN 93 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2qux s SER 94 N -0.72 4.40 0.48 0.53 1.04 -1.10 -5.02 113.70 113.30 2qux s SER 94 Ca 0.47 1.65 -0.21 0.00 0.48 0.00 0.00 55.95 58.34 2qux s SER 94 Cb 0.34 -2.38 -0.08 0.00 0.10 0.00 0.00 66.02 64.00 2qux s SER 94 CO 0.16 -2.08 1.04 0.42 0.98 0.00 0.00 173.24 173.77 2qux s THR 95 N -2.96 3.77 0.28 2.02 -4.23 -1.26 -4.97 115.64 108.28 2qux s THR 95 Ca 0.61 1.13 -0.03 0.00 -1.18 0.00 0.00 61.69 62.21 2qux s THR 95 Cb -0.16 -3.47 0.26 0.00 1.34 0.00 0.00 72.50 70.47 2qux s THR 95 CO 0.56 -0.21 1.95 -0.08 -0.54 0.00 0.00 174.62 176.30 2qux h GLU 96 N 1.66 1.18 -0.47 3.99 4.81 -2.00 -3.00 114.58 120.75 2qux h GLU 96 Ca -0.49 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 2qux h GLU 96 Cb 1.22 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.31 2qux h GLU 96 CO 0.59 0.78 0.25 0.00 -0.73 0.00 0.00 179.01 179.91 2qux h ALA 97 N 1.44 1.57 -0.09 2.92 0.00 -1.98 0.19 119.26 123.32 2qux h ALA 97 Ca 0.33 -0.07 -0.24 0.00 0.00 0.00 0.00 54.91 54.93 2qux h ALA 97 Cb -0.14 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.48 2qux h ALA 97 CO -0.07 0.36 -0.87 0.66 0.00 0.00 0.00 179.25 179.32 2qux h SER 98 N 0.64 0.89 -0.63 0.00 4.64 -1.93 0.35 113.55 117.51 2qux h SER 98 Ca 0.17 -0.63 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 2qux h SER 98 Cb 0.02 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 2qux h SER 98 CO -0.03 1.43 0.19 0.03 -0.87 0.00 0.00 176.83 177.58 2qux h ARG 99 N 0.46 0.98 -0.46 4.77 3.08 -1.42 -2.21 114.38 119.58 2qux h ARG 99 Ca -0.08 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.70 2qux h ARG 99 Cb 1.51 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.39 2qux h ARG 99 CO 0.17 0.87 0.04 -0.22 -1.07 0.00 0.00 179.97 179.76 2qux h LYS 100 N 0.91 0.74 -0.51 0.04 1.63 -0.94 -2.21 116.57 116.23 2qux h LYS 100 Ca 0.20 -0.17 -0.08 0.00 -0.85 0.00 0.00 60.65 59.75 2qux h LYS 100 Cb 0.30 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 2qux h LYS 100 CO -0.01 0.72 0.02 1.03 -3.45 0.00 0.00 179.45 177.77 2qux h SER 101 N 0.70 0.87 0.07 4.20 0.87 -0.78 -0.93 113.55 118.55 2qux h SER 101 Ca 0.15 -0.30 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2qux h SER 101 Cb 0.37 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2qux h SER 101 CO 0.01 0.95 -0.03 0.25 -0.53 0.00 0.00 176.83 177.48 2qux h LEU 102 N 0.76 -0.08 -0.00 2.23 5.85 -1.29 -1.33 115.31 121.45 2qux h LEU 102 Ca 0.15 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2qux h LEU 102 Cb 0.49 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2qux h LEU 102 CO 0.02 0.02 -0.40 0.22 -0.34 0.00 0.00 178.44 177.97 2qux h TYR 103 N -0.18 -1.13 -0.94 1.25 3.20 -1.40 -1.27 116.97 116.50 2qux h TYR 103 Ca -0.01 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.00 2qux h TYR 103 Cb 0.15 0.49 -0.08 0.00 1.54 0.00 0.00 36.73 38.84 2qux h TYR 103 CO -0.05 -0.48 0.58 -0.44 -1.64 0.00 0.00 178.16 176.13 2qux h ASP 104 N -0.56 0.86 0.13 -2.11 3.32 -1.05 -0.18 116.42 116.84 2qux h ASP 104 Ca 0.05 0.04 -0.20 0.00 0.02 0.00 0.00 57.03 56.94 2qux h ASP 104 Cb 0.64 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2qux h ASP 104 CO -0.31 0.49 -0.75 -0.07 -1.72 0.00 0.00 179.24 176.88 2qux h LEU 105 N 0.96 0.63 -0.45 1.55 3.38 -1.17 -2.62 115.31 117.59 2qux h LEU 105 Ca 0.45 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 2qux h LEU 105 Cb 0.38 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2qux h LEU 105 CO -0.24 1.18 -0.32 0.74 0.09 0.00 0.00 178.44 179.89 2qux h THR 106 N 0.36 1.27 -0.39 0.22 2.02 -0.83 0.12 112.91 115.67 2qux h THR 106 Ca -0.04 -1.49 0.04 0.00 0.77 0.00 0.00 66.41 65.70 2qux h THR 106 Cb 1.35 1.28 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 2qux h THR 106 CO 0.14 0.50 0.15 0.50 0.37 0.00 0.00 175.52 177.18 2qux h LYS 107 N 0.79 0.31 -0.57 6.66 3.64 -1.09 -0.19 116.57 126.12 2qux h LYS 107 Ca 0.08 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2qux h LYS 107 Cb 0.90 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2qux h LYS 107 CO 0.08 0.20 0.12 1.03 -2.27 0.00 0.00 179.45 178.62 2qux h SER 108 N 0.31 0.87 0.13 4.20 0.87 -1.44 -2.36 113.55 116.13 2qux h SER 108 Ca 0.18 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2qux h SER 108 Cb 0.15 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 2qux h SER 108 CO -0.17 0.89 -0.06 0.25 -0.53 0.00 0.00 176.83 177.20 2qux h LEU 109 N 0.81 -0.15 -1.36 2.23 5.85 -0.67 -2.54 115.31 119.49 2qux h LEU 109 Ca 0.18 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2qux h LEU 109 Cb 0.37 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2qux h LEU 109 CO 0.00 -0.06 0.33 0.58 -0.34 0.00 0.00 178.44 178.96 2qux h VAL 110 N -0.24 1.17 0.00 1.05 2.07 -1.09 -2.24 116.25 116.97 2qux h VAL 110 Ca -0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2qux h VAL 110 Cb 0.19 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2qux h VAL 110 CO 0.03 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.80 2qux n ALA 111 N -2.45 1.85 -1.77 1.67 0.00 -0.89 -4.57 120.51 114.35 2qux n ALA 111 Ca 0.05 -0.04 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 2qux n ALA 111 Cb 0.08 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.21 2qux n ALA 111 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qux s THR 112 N -3.05 3.07 0.20 0.00 -4.23 -0.84 -4.92 115.64 105.87 2qux s THR 112 Ca 0.08 0.75 0.26 0.00 -1.18 0.00 0.00 61.69 61.60 2qux s THR 112 Cb 0.12 -3.35 0.27 0.00 1.34 0.00 0.00 72.50 70.88 2qux s THR 112 CO 0.36 -0.06 1.91 0.77 -0.54 0.00 0.00 174.62 177.06 2qux h SER 113 N 1.68 0.00 -0.61 3.99 4.64 -1.89 -2.36 113.55 119.00 2qux h SER 113 Ca -0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2qux h SER 113 Cb 1.26 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.32 2qux h SER 113 CO 0.59 0.17 0.38 1.56 -0.87 0.00 0.00 176.83 178.66 2qux h GLN 114 N 0.00 0.83 -0.21 4.77 4.20 -1.91 -1.52 115.11 121.26 2qux h GLN 114 Ca -0.00 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2qux h GLN 114 Cb 0.62 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2qux h GLN 114 CO 0.02 0.59 -0.60 0.28 -0.67 0.00 0.00 178.83 178.45 2qux h VAL 115 N 0.83 1.30 -0.18 -0.54 2.07 -1.70 -2.42 116.25 115.61 2qux h VAL 115 Ca 0.22 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 65.96 2qux h VAL 115 Cb -0.04 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 2qux h VAL 115 CO -0.04 0.58 -0.18 -0.08 0.02 0.00 0.00 177.57 177.86 2qux h GLU 116 N 0.52 -0.20 -0.27 1.57 4.81 -1.37 -1.93 114.58 117.71 2qux h GLU 116 Ca -0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2qux h GLU 116 Cb 1.18 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2qux h GLU 116 CO 0.12 -0.13 0.18 -0.44 -0.73 0.00 0.00 179.01 178.01 2qux h ASP 117 N -0.21 0.28 -0.09 1.04 3.45 -1.25 0.86 116.42 120.49 2qux h ASP 117 Ca 0.12 -0.01 -0.21 0.00 0.43 0.00 0.00 57.03 57.36 2qux h ASP 117 Cb 0.38 -0.07 0.01 0.00 -0.56 0.00 0.00 39.33 39.09 2qux h ASP 117 CO -0.30 0.20 -0.73 0.25 -1.57 0.00 0.00 179.24 177.09 2qux h LEU 118 N 0.32 0.86 0.09 1.55 5.85 -1.10 -1.31 115.31 121.58 2qux h LEU 118 Ca 0.11 -0.54 -0.18 0.00 0.84 0.00 0.00 57.88 58.10 2qux h LEU 118 Cb 0.03 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 40.83 2qux h LEU 118 CO -0.02 1.33 -0.78 0.58 -0.34 0.00 0.00 178.44 179.21 2qux h VAL 119 N 0.52 1.46 0.12 1.05 2.07 -1.15 -2.61 116.25 117.71 2qux h VAL 119 Ca -0.04 -2.36 -0.20 0.00 0.82 0.00 0.00 66.70 64.92 2qux h VAL 119 Cb 1.34 2.94 0.02 0.00 -1.52 0.00 0.00 31.29 34.07 2qux h VAL 119 CO 0.15 0.68 -0.86 0.58 0.02 0.00 0.00 177.57 178.14 2qux h VAL 120 N -0.22 1.46 -0.04 2.57 2.07 -0.95 -3.40 116.25 117.74 2qux h VAL 120 Ca -0.12 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 64.95 2qux h VAL 120 Cb 1.55 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 34.34 2qux h VAL 120 CO 0.15 0.70 0.00 0.59 0.02 0.00 0.00 177.57 179.03 2qux n ASN 121 N -4.08 1.63 -3.81 0.57 3.02 -0.56 -5.02 115.26 107.01 2qux n ASN 121 Ca -0.13 -1.45 -0.28 0.00 -0.03 0.00 0.00 54.58 52.69 2qux n ASN 121 Cb 0.83 -0.02 0.04 0.00 -0.61 0.00 0.00 39.78 40.01 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 0.04 -2.83 -4.61 3.41 4.77 -0.81 -4.94 117.00 112.04 2qux n LEU 122 Ca 0.02 -0.73 -0.40 0.00 -0.03 0.00 0.00 56.01 54.88 2qux n LEU 122 Cb 0.16 -2.68 -0.08 0.00 -2.33 0.00 0.00 43.42 38.49 2qux n LEU 122 CO 0.02 0.50 0.18 -0.69 -1.33 0.00 0.00 177.39 176.07 2qux s VAL 123 N -3.35 5.11 0.68 4.08 1.01 -0.83 -4.94 120.40 122.16 2qux s VAL 123 Ca 0.55 0.73 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 2qux s VAL 123 Cb -0.27 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2qux s VAL 123 CO 0.81 0.10 0.84 -2.65 0.00 0.00 0.00 175.10 174.20 2qux n PRO 124 N 5.47 0.56 -1.37 2.72 -0.02 -1.26 -3.51 135.00 137.59 2qux n PRO 124 Ca -0.06 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.37 2qux n PRO 124 Cb 0.50 -2.09 0.12 0.00 -0.02 0.00 0.00 33.50 32.01 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 -1.97 2.28 0.00 2.45 1.43 -1.26 -4.94 118.68 116.67 2qux s LEU 125 Ca 0.72 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.15 2qux s LEU 125 Cb -0.37 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2qux s LEU 125 CO 0.51 -2.43 0.00 0.61 0.23 0.00 0.00 176.35 175.27 2qux n GLY 126 N -1.62 0.91 0.00 -3.19 0.00 -1.26 -5.20 105.19 94.83 2qux n GLY 126 Ca 0.07 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.96 2qux n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86