#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qux s LYS 2 N 0.00 2.42 0.06 4.33 1.02 -1.26 -5.06 119.74 121.25 2qux s LYS 2 Ca 0.00 -0.80 0.01 0.00 0.02 0.00 0.00 55.97 55.21 2qux s LYS 2 Cb 0.00 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 2qux s LYS 2 CO 0.00 0.28 -0.06 0.95 -0.92 0.00 0.00 175.35 175.60 2qux s THR 3 N 0.05 0.52 -0.04 2.17 -4.23 -1.26 -1.25 115.64 111.60 2qux s THR 3 Ca -0.08 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 58.98 2qux s THR 3 Cb -0.14 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.55 2qux s THR 3 CO 0.05 -0.67 -0.22 -0.51 -0.54 0.00 0.00 174.62 172.73 2qux s ILE 4 N -2.63 1.76 -0.14 2.99 2.07 -0.31 -5.00 121.20 119.93 2qux s ILE 4 Ca 0.01 -0.92 -0.01 0.00 -1.41 0.00 0.00 60.65 58.32 2qux s ILE 4 Cb -0.01 -1.49 -0.01 0.00 0.13 0.00 0.00 42.46 41.08 2qux s ILE 4 CO -0.03 0.50 -0.12 -0.69 -1.91 0.00 0.00 174.94 172.68 2qux s VAL 5 N -0.20 3.08 -0.06 4.00 1.01 -1.26 -1.26 120.40 125.71 2qux s VAL 5 Ca -0.00 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2qux s VAL 5 Cb -0.11 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2qux s VAL 5 CO 0.02 0.51 -0.10 -0.76 0.00 0.00 0.00 175.10 174.78 2qux s LEU 6 N 0.50 3.01 -0.22 3.92 1.43 0.01 -4.97 118.68 122.37 2qux s LEU 6 Ca -0.08 -0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2qux s LEU 6 Cb -0.16 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2qux s LEU 6 CO 0.04 0.36 -0.12 -0.44 0.23 0.00 0.00 176.35 176.41 2qux s SER 7 N -0.77 3.84 -0.31 2.29 0.01 -1.26 -0.38 113.70 117.12 2qux s SER 7 Ca 0.12 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.61 2qux s SER 7 Cb -0.11 -1.59 0.07 0.00 0.21 0.00 0.00 66.02 64.60 2qux s SER 7 CO 0.01 -0.07 -0.00 -0.69 0.41 0.00 0.00 173.24 172.90 2qux s VAL 8 N 1.31 2.69 0.00 3.43 1.01 -0.58 -5.01 120.40 123.26 2qux s VAL 8 Ca 0.02 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.33 2qux s VAL 8 Cb -0.15 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.58 2qux s VAL 8 CO -0.08 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.41 2qux n GLY 9 N 4.51 2.51 0.00 4.51 0.00 -1.26 -1.52 105.19 113.94 2qux n GLY 9 Ca -0.10 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.67 2qux n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qux n GLU 10 N 13.47 0.11 -2.77 1.61 -0.58 -1.26 -4.89 120.64 126.33 2qux n GLU 10 Ca 0.00 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.45 2qux n GLU 10 Cb 0.00 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.35 2qux n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qux s ALA 11 N -2.89 3.36 0.10 0.62 0.00 -0.58 -5.11 121.76 117.26 2qux s ALA 11 Ca 0.18 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.91 2qux s ALA 11 Cb 0.19 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 2qux s ALA 11 CO 0.51 -0.12 -0.14 0.95 0.00 0.00 0.00 175.76 176.97 2qux s THR 12 N -2.49 1.21 -0.10 0.00 -4.23 -1.26 -1.52 115.64 107.25 2qux s THR 12 Ca 0.50 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.49 2qux s THR 12 Cb -0.10 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.41 2qux s THR 12 CO 0.35 -0.35 -0.17 -0.13 -0.54 0.00 0.00 174.62 173.79 2qux s ARG 13 N -2.31 2.32 -0.31 3.99 1.81 0.48 -4.98 118.95 119.96 2qux s ARG 13 Ca 0.04 -0.61 -0.06 0.00 -1.72 0.00 0.00 55.73 53.38 2qux s ARG 13 Cb -0.07 -1.90 0.02 0.00 -0.45 0.00 0.00 34.95 32.55 2qux s ARG 13 CO 0.02 0.00 0.08 0.99 -0.68 0.00 0.00 175.30 175.72 2qux s THR 14 N 0.79 3.86 -0.17 0.02 2.01 -1.26 -0.81 115.64 120.08 2qux s THR 14 Ca -0.11 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 2qux s THR 14 Cb -0.16 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2qux s THR 14 CO 0.01 0.01 0.39 -0.76 -0.69 0.00 0.00 174.62 173.58 2qux s LEU 15 N 1.46 4.21 -0.06 4.42 1.43 -0.39 -4.19 118.68 125.57 2qux s LEU 15 Ca 0.01 0.59 0.03 0.00 -1.03 0.00 0.00 54.13 53.73 2qux s LEU 15 Cb -0.18 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 2qux s LEU 15 CO 0.02 -0.01 -0.14 -0.89 0.23 0.00 0.00 176.35 175.56 2qux s THR 16 N 0.90 3.06 -0.02 5.49 2.01 0.15 -1.16 115.64 126.07 2qux s THR 16 Ca 0.20 -0.72 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 2qux s THR 16 Cb -0.14 -2.21 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 2qux s THR 16 CO 0.07 0.58 1.45 -0.70 -0.69 0.00 0.00 174.62 175.34 2qux s GLU 17 N -0.61 4.25 0.00 4.92 2.12 -0.38 -0.93 118.70 128.07 2qux s GLU 17 Ca 0.09 2.01 0.10 0.00 0.36 0.00 0.00 54.97 57.52 2qux s GLU 17 Cb -0.11 -3.67 -0.08 0.00 0.26 0.00 0.00 34.13 30.52 2qux s GLU 17 CO 0.01 -0.65 0.46 0.44 -0.54 0.00 0.00 175.26 174.98 2qux n ILE 18 N 4.89 0.00 -3.55 -3.70 -5.35 -0.05 -4.86 119.36 106.73 2qux n ILE 18 Ca 0.14 -0.29 -0.16 0.00 -0.27 0.00 0.00 62.75 62.17 2qux n ILE 18 Cb 0.43 1.03 -0.06 0.00 -1.74 0.00 0.00 39.64 39.30 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 -1.81 0.91 -0.07 6.28 -0.44 -1.15 -5.00 119.66 118.38 2qux s GLN 19 Ca 0.05 0.38 -0.19 0.00 -2.50 0.00 0.00 55.36 53.10 2qux s GLN 19 Cb 0.08 0.43 0.04 0.00 -1.64 0.00 0.00 33.01 31.92 2qux s GLN 19 CO 0.37 -0.25 0.44 -1.54 0.50 0.00 0.00 175.29 174.81 2qux s SER 20 N -0.84 -0.39 0.00 6.67 1.04 -1.26 -1.60 113.70 117.33 2qux s SER 20 Ca -0.07 0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2qux s SER 20 Cb -0.01 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2qux s SER 20 CO 0.06 -0.39 0.00 0.35 0.98 0.00 0.00 173.24 174.24 2qux n THR 21 N 1.71 0.00 0.24 2.02 -2.24 0.64 -4.98 114.28 111.66 2qux n THR 21 Ca -0.18 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2qux n THR 21 Cb 0.56 0.00 0.57 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.00 1.70 0.00 6.98 0.00 -2.02 -3.32 119.26 123.60 2qux h ALA 22 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2qux h ALA 22 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2qux h ALA 22 CO 0.00 0.17 -0.06 -0.40 0.00 0.00 0.00 179.25 178.96 2qux n ASP 23 N -4.27 0.61 -3.90 0.00 5.75 -1.26 -5.03 116.55 108.45 2qux n ASP 23 Ca -0.03 -1.47 -0.11 0.00 -0.01 0.00 0.00 54.79 53.18 2qux n ASP 23 Cb 0.21 -0.05 -0.11 0.00 -1.03 0.00 0.00 41.12 40.15 2qux n ASP 23 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2qux s ARG 24 N -0.39 0.39 0.01 0.11 3.52 -1.25 -2.17 118.95 119.17 2qux s ARG 24 Ca 0.02 -0.40 -0.01 0.00 -0.13 0.00 0.00 55.73 55.21 2qux s ARG 24 Cb 0.01 0.16 -0.01 0.00 -1.56 0.00 0.00 34.95 33.55 2qux s ARG 24 CO 0.00 -0.08 -0.00 1.14 -0.81 0.00 0.00 175.30 175.54 2qux s GLN 25 N -1.24 0.30 -0.13 5.12 -2.07 0.02 -0.26 119.66 121.39 2qux s GLN 25 Ca -0.13 -0.50 0.01 0.00 -1.82 0.00 0.00 55.36 52.92 2qux s GLN 25 Cb -0.08 0.11 0.02 0.00 -1.09 0.00 0.00 33.01 31.97 2qux s GLN 25 CO 0.01 -0.05 -0.17 0.42 -1.32 0.00 0.00 175.29 174.18 2qux s ILE 26 N -1.26 1.67 -0.10 3.63 1.01 -0.63 -1.28 121.20 124.24 2qux s ILE 26 Ca -0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 2qux s ILE 26 Cb -0.08 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2qux s ILE 26 CO -0.01 0.47 -0.05 -0.36 0.00 0.00 0.00 174.94 174.99 2qux s PHE 27 N 1.09 2.98 0.19 3.97 0.40 0.77 -0.88 117.98 126.50 2qux s PHE 27 Ca -0.03 -0.08 0.08 0.00 -0.60 0.00 0.00 56.93 56.30 2qux s PHE 27 Cb -0.14 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 2qux s PHE 27 CO -0.05 0.22 -0.17 -1.21 0.70 0.00 0.00 175.22 174.71 2qux s GLU 28 N -0.43 1.31 -0.61 0.44 2.02 -0.11 -0.47 118.70 120.85 2qux s GLU 28 Ca 0.07 -1.49 -0.26 0.00 0.02 0.00 0.00 54.97 53.30 2qux s GLU 28 Cb -0.12 -1.27 0.04 0.00 0.10 0.00 0.00 34.13 32.88 2qux s GLU 28 CO 0.02 0.24 1.12 -2.00 0.02 0.00 0.00 175.26 174.66 2qux s GLU 29 N -3.15 3.36 -1.31 1.61 2.12 -0.55 0.34 118.70 121.11 2qux s GLU 29 Ca 0.19 -0.09 -0.11 0.00 0.36 0.00 0.00 54.97 55.32 2qux s GLU 29 Cb -0.04 -4.08 0.13 0.00 0.26 0.00 0.00 34.13 30.41 2qux s GLU 29 CO 0.07 -1.73 1.90 1.63 -0.54 0.00 0.00 175.26 176.59 2qux n LYS 30 N 8.28 3.40 -3.82 4.30 5.02 -1.26 -4.58 118.16 129.50 2qux n LYS 30 Ca 0.04 -3.35 -0.12 0.00 -2.02 0.00 0.00 58.31 52.86 2qux n LYS 30 Cb 0.48 -3.05 -0.13 0.00 -0.02 0.00 0.00 35.03 32.31 2qux n LYS 30 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qux s VAL 31 N 1.33 -0.01 0.00 -0.18 1.01 -1.26 -5.11 120.40 116.18 2qux s VAL 31 Ca 0.42 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2qux s VAL 31 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.30 2qux s VAL 31 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.71 2qux n GLY 32 N 3.17 -1.07 3.75 4.51 0.00 -1.26 -4.82 105.19 109.47 2qux n GLY 32 Ca -0.14 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.32 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 2.53 0.45 1.61 0.04 -1.26 -4.92 135.00 133.45 2qux s PRO 33 Ca 0.00 1.57 0.10 0.00 0.04 0.00 0.00 61.00 62.71 2qux s PRO 33 Cb 0.00 -1.90 1.01 0.00 0.04 0.00 0.00 34.50 33.65 2qux s PRO 33 CO 0.00 -1.49 2.09 1.25 0.04 0.00 0.00 177.00 178.89 2qux h LEU 34 N -0.05 0.30 -8.72 -3.56 5.85 -1.99 -3.41 115.31 103.73 2qux h LEU 34 Ca -0.47 -0.01 -0.65 0.00 0.84 0.00 0.00 57.88 57.59 2qux h LEU 34 Cb 1.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2qux h LEU 34 CO 0.52 0.22 1.38 0.52 -0.34 0.00 0.00 178.44 180.74 2qux n VAL 35 N -4.50 0.26 -1.41 1.05 0.31 -1.26 -3.33 118.33 109.45 2qux n VAL 35 Ca 0.01 -0.27 -0.03 0.00 -0.01 0.00 0.00 64.34 64.04 2qux n VAL 35 Cb 0.08 -1.82 -0.01 0.00 -0.91 0.00 0.00 33.84 31.18 2qux n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qux n GLY 36 N 6.10 0.48 3.77 2.92 0.00 -1.26 -4.96 105.19 112.24 2qux n GLY 36 Ca 0.37 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.88 4.15 0.41 1.61 0.52 -1.21 -4.31 118.95 117.24 2qux s ARG 37 Ca 0.00 2.52 -0.27 0.00 -0.52 0.00 0.00 55.73 57.46 2qux s ARG 37 Cb 0.00 -2.99 -0.10 0.00 0.52 0.00 0.00 34.95 32.38 2qux s ARG 37 CO 0.00 -0.49 1.44 -0.11 0.02 0.00 0.00 175.30 176.16 2qux n LEU 38 N 0.73 4.86 -3.84 2.53 7.94 -1.26 -4.76 117.00 123.19 2qux n LEU 38 Ca 0.02 1.17 -0.13 0.00 -1.11 0.00 0.00 56.01 55.96 2qux n LEU 38 Cb 0.39 -1.60 -0.14 0.00 0.53 0.00 0.00 43.42 42.60 2qux n LEU 38 CO 0.63 -0.05 -0.34 -0.60 -1.11 0.00 0.00 177.39 175.92 2qux s ARG 39 N -2.26 0.01 -0.07 1.96 3.52 -1.07 -1.49 118.95 119.55 2qux s ARG 39 Ca 0.57 0.08 0.03 0.00 -0.13 0.00 0.00 55.73 56.28 2qux s ARG 39 Cb -0.47 -0.06 0.00 0.00 -1.56 0.00 0.00 34.95 32.87 2qux s ARG 39 CO 0.61 -0.05 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.70 2qux s LEU 40 N 0.31 1.86 -0.12 -0.88 2.96 0.38 -1.87 118.68 121.32 2qux s LEU 40 Ca -0.02 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2qux s LEU 40 Cb -0.04 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.60 2qux s LEU 40 CO -0.01 0.11 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.01 2qux s THR 41 N 0.38 2.05 -0.06 3.68 2.01 -0.34 -0.17 115.64 123.19 2qux s THR 41 Ca -0.13 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 60.91 2qux s THR 41 Cb -0.15 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.57 2qux s THR 41 CO 0.05 0.55 -0.16 0.00 -0.69 0.00 0.00 174.62 174.38 2qux s ALA 42 N 0.57 1.47 0.06 7.40 0.00 -0.41 -0.07 121.76 130.79 2qux s ALA 42 Ca -0.13 -0.60 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2qux s ALA 42 Cb -0.17 -0.56 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2qux s ALA 42 CO 0.04 0.21 -0.07 -1.12 0.00 0.00 0.00 175.76 174.82 2qux s SER 43 N 0.33 0.92 -0.03 0.00 0.01 0.44 -0.80 113.70 114.58 2qux s SER 43 Ca -0.10 -0.74 -0.00 0.00 1.31 0.00 0.00 55.95 56.42 2qux s SER 43 Cb -0.14 0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.19 2qux s SER 43 CO 0.04 -0.33 0.02 -0.22 0.41 0.00 0.00 173.24 173.16 2qux s LEU 44 N -2.20 1.00 0.21 2.44 2.96 -0.92 -1.42 118.68 120.74 2qux s LEU 44 Ca -0.01 0.00 -0.01 0.00 -0.22 0.00 0.00 54.13 53.89 2qux s LEU 44 Cb -0.03 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.44 2qux s LEU 44 CO -0.02 -0.13 0.14 0.00 -1.32 0.00 0.00 176.35 175.02 2qux s ARG 45 N 1.20 1.23 0.42 1.98 1.70 -0.26 -4.78 118.95 120.44 2qux s ARG 45 Ca -0.07 -1.64 0.08 0.00 -0.47 0.00 0.00 55.73 53.63 2qux s ARG 45 Cb -0.13 0.28 0.01 0.00 -0.57 0.00 0.00 34.95 34.53 2qux s ARG 45 CO -0.02 -0.40 0.57 -0.65 -1.08 0.00 0.00 175.30 173.71 2qux s GLN 46 N -4.13 2.81 0.89 3.89 -0.21 -1.26 -0.45 119.66 121.20 2qux s GLN 46 Ca 0.39 -1.26 -0.12 0.00 0.02 0.00 0.00 55.36 54.40 2qux s GLN 46 Cb 0.07 -2.74 0.12 0.00 1.00 0.00 0.00 33.01 31.46 2qux s GLN 46 CO 0.13 -0.27 1.09 1.21 -2.12 0.00 0.00 175.29 175.32 2qux s ASN 47 N -4.35 3.55 0.09 5.90 3.84 0.53 -4.74 114.94 119.77 2qux s ASN 47 Ca 0.55 1.46 -0.28 0.00 0.21 0.00 0.00 52.86 54.80 2qux s ASN 47 Cb -0.10 -2.14 -0.13 0.00 -0.55 0.00 0.00 41.25 38.33 2qux s ASN 47 CO 0.33 -2.59 1.65 1.23 -2.79 0.00 0.00 177.10 174.93 2qux h GLY 48 N -1.51 -0.56 1.89 1.21 0.00 -2.00 -3.07 103.07 99.03 2qux h GLY 48 Ca -0.49 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2qux h GLY 48 CO 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.86 2qux n ALA 49 N -2.49 1.45 -2.56 3.60 0.00 -1.26 -4.89 120.51 114.36 2qux n ALA 49 Ca -0.09 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 2qux n ALA 49 Cb 0.27 -1.14 -0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.44 -2.40 -0.15 0.00 5.02 -1.16 -4.92 118.16 113.10 2qux n LYS 50 Ca 0.03 0.75 0.09 0.00 -2.02 0.00 0.00 58.31 57.15 2qux n LYS 50 Cb 0.09 -5.40 0.17 0.00 -0.02 0.00 0.00 35.03 29.87 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 -3.74 0.53 -3.48 -0.18 -2.24 -1.26 -4.89 114.28 99.02 2qux n THR 51 Ca -0.16 -0.76 -0.10 0.00 -2.27 0.00 0.00 64.05 60.75 2qux n THR 51 Cb 0.63 0.91 -0.02 0.00 -2.10 0.00 0.00 70.33 69.75 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 -1.23 -1.75 0.15 6.98 0.00 -1.26 -1.84 121.76 122.80 2qux s ALA 52 Ca 0.30 0.90 0.11 0.00 0.00 0.00 0.00 51.96 53.27 2qux s ALA 52 Cb 0.17 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2qux s ALA 52 CO 0.24 -0.67 -0.25 0.71 0.00 0.00 0.00 175.76 175.79 2qux s TYR 53 N -3.06 2.24 -0.16 0.00 2.02 0.35 -0.34 117.35 118.40 2qux s TYR 53 Ca 0.02 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.35 2qux s TYR 53 Cb -0.01 -1.18 0.01 0.00 -0.40 0.00 0.00 41.96 40.37 2qux s TYR 53 CO -0.08 0.37 -0.18 1.03 -1.57 0.00 0.00 175.55 175.12 2qux s ARG 54 N -2.24 3.12 -0.22 -0.62 1.81 0.40 -1.65 118.95 119.55 2qux s ARG 54 Ca 0.15 -0.79 -0.08 0.00 -1.72 0.00 0.00 55.73 53.29 2qux s ARG 54 Cb -0.09 -2.58 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 2qux s ARG 54 CO 0.07 -0.05 0.09 0.08 -0.68 0.00 0.00 175.30 174.81 2qux s VAL 55 N 0.95 4.73 -0.14 3.52 1.01 -0.22 -1.10 120.40 129.16 2qux s VAL 55 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 2qux s VAL 55 Cb -0.15 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2qux s VAL 55 CO -0.03 0.38 -0.09 0.20 0.00 0.00 0.00 175.10 175.56 2qux s ASN 56 N 1.03 4.40 -0.06 3.32 -0.87 -0.51 -0.77 114.94 121.48 2qux s ASN 56 Ca 0.05 -0.22 0.02 0.00 -1.57 0.00 0.00 52.86 51.13 2qux s ASN 56 Cb -0.14 -1.67 0.02 0.00 -0.02 0.00 0.00 41.25 39.44 2qux s ASN 56 CO 0.03 0.18 -0.10 -0.76 -2.57 0.00 0.00 177.10 173.88 2qux s LEU 57 N 0.30 1.54 -0.07 0.60 1.02 -0.91 -0.42 118.68 120.74 2qux s LEU 57 Ca -0.07 -0.26 -0.01 0.00 0.02 0.00 0.00 54.13 53.81 2qux s LEU 57 Cb -0.15 -0.73 0.03 0.00 0.02 0.00 0.00 46.19 45.36 2qux s LEU 57 CO 0.04 0.00 -0.00 -0.75 0.02 0.00 0.00 176.35 175.66 2qux s LYS 58 N 0.79 0.65 -0.36 1.70 2.20 0.91 0.09 119.74 125.71 2qux s LYS 58 Ca -0.13 0.09 -0.13 0.00 -0.36 0.00 0.00 55.97 55.44 2qux s LYS 58 Cb -0.15 -0.98 -0.01 0.00 -1.51 0.00 0.00 37.83 35.18 2qux s LYS 58 CO 0.02 -0.29 0.25 -1.17 -0.36 0.00 0.00 175.35 173.80 2qux s LEU 59 N 1.90 4.65 -0.23 5.43 2.96 -0.10 -1.20 118.68 132.09 2qux s LEU 59 Ca 0.04 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.30 2qux s LEU 59 Cb -0.12 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 2qux s LEU 59 CO -0.05 -0.28 0.19 -1.81 -1.32 0.00 0.00 176.35 173.08 2qux s ASP 60 N 1.71 6.18 -0.32 3.68 1.01 -0.78 -1.41 116.67 126.73 2qux s ASP 60 Ca 0.06 0.19 0.04 0.00 0.71 0.00 0.00 52.55 53.54 2qux s ASP 60 Cb -0.18 -2.12 0.09 0.00 1.01 0.00 0.00 42.92 41.72 2qux s ASP 60 CO 0.10 0.06 0.02 -1.58 0.21 0.00 0.00 175.17 173.98 2qux s GLN 61 N 0.99 1.66 0.48 8.23 0.74 0.02 -2.61 119.66 129.16 2qux s GLN 61 Ca 0.09 -1.76 -0.23 0.00 0.05 0.00 0.00 55.36 53.51 2qux s GLN 61 Cb -0.13 -3.15 -0.07 0.00 1.10 0.00 0.00 33.01 30.76 2qux s GLN 61 CO 0.04 -0.86 1.26 0.00 -0.55 0.00 0.00 175.29 175.18 2qux s ALA 62 N 0.95 2.99 -0.42 1.58 0.00 -1.26 -1.53 121.76 124.06 2qux s ALA 62 Ca 0.06 1.12 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 2qux s ALA 62 Cb -0.19 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.50 2qux s ALA 62 CO -0.07 -0.92 0.31 0.34 0.00 0.00 0.00 175.76 175.42 2qux s ASP 63 N -1.10 6.06 -0.19 0.00 2.15 0.66 -4.96 116.67 119.30 2qux s ASP 63 Ca 0.65 -1.03 -0.05 0.00 0.43 0.00 0.00 52.55 52.54 2qux s ASP 63 Cb -0.34 -2.14 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2qux s ASP 63 CO 0.42 -0.49 0.01 -0.69 -0.17 0.00 0.00 175.17 174.25 2qux s VAL 64 N 1.65 4.20 -0.22 1.11 1.01 -1.26 0.04 120.40 126.94 2qux s VAL 64 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2qux s VAL 64 Cb -0.20 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2qux s VAL 64 CO 0.09 0.45 0.04 -0.69 0.00 0.00 0.00 175.10 174.99 2qux s VAL 65 N 0.68 4.30 -0.82 2.92 1.01 -1.16 -4.96 120.40 122.36 2qux s VAL 65 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 2qux s VAL 65 Cb -0.14 -2.97 0.21 0.00 0.00 0.00 0.00 36.38 33.49 2qux s VAL 65 CO 0.02 0.40 0.73 -0.62 0.00 0.00 0.00 175.10 175.63 2qux s ASP 66 N 1.10 6.40 -0.98 3.32 -1.08 -1.26 -3.30 116.67 120.86 2qux s ASP 66 Ca 0.04 -2.93 -0.01 0.00 -0.52 0.00 0.00 52.55 49.12 2qux s ASP 66 Cb -0.14 -2.10 0.31 0.00 -1.46 0.00 0.00 42.92 39.53 2qux s ASP 66 CO 0.03 -0.45 1.51 -1.20 0.52 0.00 0.00 175.17 175.57 2qux n SER 67 N 3.55 6.40 0.00 -0.34 7.64 -1.26 -4.88 113.62 124.73 2qux n SER 67 Ca 0.14 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.48 2qux n SER 67 Cb 0.43 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 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 0.64 2.20 3.29 0.23 0.00 -1.26 -4.84 105.19 105.45 2qux n GLY 68 Ca 0.34 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 3.40 0.52 0.99 1.43 -1.26 -5.12 118.68 118.64 2qux s LEU 75 Ca 0.00 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 52.17 2qux s LEU 75 Cb 0.00 -1.77 -0.06 0.00 0.03 0.00 0.00 46.19 44.39 2qux s LEU 75 CO 0.00 -0.13 1.40 -2.84 0.23 0.00 0.00 176.35 175.01 2qux s PRO 76 N 1.43 3.30 -0.13 1.29 0.02 -1.26 -4.76 135.00 134.90 2qux s PRO 76 Ca 0.02 2.33 -0.08 0.00 0.02 0.00 0.00 61.00 63.29 2qux s PRO 76 Cb -0.16 -2.39 0.04 0.00 0.02 0.00 0.00 34.50 32.01 2qux s PRO 76 CO -0.01 -1.09 0.32 0.15 -0.33 0.00 0.00 177.00 176.03 2qux s LYS 77 N -2.76 0.32 -0.05 5.54 1.02 -1.21 -5.02 119.74 117.58 2qux s LYS 77 Ca 0.68 0.58 -0.30 0.00 0.02 0.00 0.00 55.97 56.95 2qux s LYS 77 Cb -0.42 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 2qux s LYS 77 CO 0.52 -0.12 1.25 0.08 -0.92 0.00 0.00 175.35 176.16 2qux s VAL 78 N 0.93 4.13 -0.10 3.17 1.01 -1.26 -3.00 120.40 125.27 2qux s VAL 78 Ca -0.06 1.46 -0.10 0.00 0.00 0.00 0.00 61.98 63.27 2qux s VAL 78 Cb -0.07 -3.94 -0.27 0.00 0.00 0.00 0.00 36.38 32.10 2qux s VAL 78 CO -0.07 -0.01 0.48 0.03 0.00 0.00 0.00 175.10 175.54 2qux h ARG 79 N 7.59 0.29 -2.62 2.72 3.08 -0.78 -3.49 114.38 121.17 2qux h ARG 79 Ca -0.35 -0.50 0.12 0.00 0.07 0.00 0.00 59.98 59.32 2qux h ARG 79 Cb 1.16 0.19 -0.08 0.00 0.08 0.00 0.00 29.97 31.32 2qux h ARG 79 CO 0.89 1.24 0.37 1.52 -1.07 0.00 0.00 179.97 182.92 2qux s TYR 80 N -2.54 -0.21 -0.04 3.04 -0.85 -1.25 -5.01 117.35 110.49 2qux s TYR 80 Ca -0.20 -0.12 0.02 0.00 -0.52 0.00 0.00 57.07 56.24 2qux s TYR 80 Cb 0.06 0.65 0.01 0.00 0.38 0.00 0.00 41.96 43.06 2qux s TYR 80 CO 0.79 -0.94 -0.07 0.95 -1.52 0.00 0.00 175.55 174.76 2qux s THR 81 N -3.52 0.72 0.12 -3.49 -4.23 -1.26 -0.24 115.64 103.73 2qux s THR 81 Ca 0.10 -0.26 0.06 0.00 -1.18 0.00 0.00 61.69 60.40 2qux s THR 81 Cb -0.03 -0.69 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 2qux s THR 81 CO 0.01 0.25 -0.01 -1.10 -0.54 0.00 0.00 174.62 173.24 2qux s GLN 82 N 0.63 2.47 0.01 3.99 -0.21 -0.58 -4.96 119.66 121.00 2qux s GLN 82 Ca -0.10 -0.94 -0.01 0.00 0.02 0.00 0.00 55.36 54.33 2qux s GLN 82 Cb -0.13 -2.46 -0.01 0.00 1.00 0.00 0.00 33.01 31.41 2qux s GLN 82 CO 0.01 0.51 0.01 0.08 -2.12 0.00 0.00 175.29 173.78 2qux s VAL 83 N -1.44 0.08 -0.12 1.09 1.01 -1.26 -0.80 120.40 118.96 2qux s VAL 83 Ca 0.26 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2qux s VAL 83 Cb -0.11 -0.24 0.04 0.00 0.00 0.00 0.00 36.38 36.08 2qux s VAL 83 CO 0.18 -0.37 0.05 0.86 0.00 0.00 0.00 175.10 175.82 2qux s TRP 84 N -1.11 0.42 0.16 5.22 -0.11 -0.50 -5.00 118.94 118.02 2qux s TRP 84 Ca -0.12 -0.22 0.09 0.00 1.22 0.00 0.00 56.10 57.06 2qux s TRP 84 Cb -0.07 -0.72 -0.04 0.00 -1.50 0.00 0.00 33.47 31.13 2qux s TRP 84 CO -0.00 -0.40 -0.20 -1.54 -4.62 0.00 0.00 176.95 170.19 2qux s SER 85 N 2.06 2.79 0.01 5.86 1.04 -1.26 -0.93 113.70 123.26 2qux s SER 85 Ca 0.03 -0.84 0.04 0.00 0.48 0.00 0.00 55.95 55.66 2qux s SER 85 Cb -0.14 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 2qux s SER 85 CO -0.06 0.00 -0.13 -1.00 0.98 0.00 0.00 173.24 173.03 2qux s HIS 86 N -1.87 1.12 -0.17 5.02 0.09 0.11 -4.98 115.29 114.62 2qux s HIS 86 Ca 0.15 -0.26 -0.02 0.00 -0.00 0.00 0.00 55.06 54.93 2qux s HIS 86 Cb -0.07 -0.70 0.05 0.00 -0.00 0.00 0.00 32.58 31.86 2qux s HIS 86 CO 0.07 -0.00 0.02 0.34 -0.00 0.00 0.00 174.74 175.16 2qux s ASP 87 N -0.59 2.66 -0.16 1.40 3.68 -1.26 -2.13 116.67 120.27 2qux s ASP 87 Ca 0.03 -0.67 -0.01 0.00 2.13 0.00 0.00 52.55 54.04 2qux s ASP 87 Cb -0.06 -0.61 -0.01 0.00 -1.45 0.00 0.00 42.92 40.79 2qux s ASP 87 CO 0.00 -0.27 -0.13 -0.69 0.13 0.00 0.00 175.17 174.22 2qux s VAL 88 N 1.85 2.94 -0.34 1.11 1.01 0.05 -4.97 120.40 122.05 2qux s VAL 88 Ca 0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 2qux s VAL 88 Cb -0.16 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.00 2qux s VAL 88 CO -0.07 0.50 0.12 -0.89 0.00 0.00 0.00 175.10 174.76 2qux s THR 89 N 0.73 3.93 -0.22 3.92 2.01 -1.26 -1.06 115.64 123.69 2qux s THR 89 Ca -0.06 -1.08 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 2qux s THR 89 Cb -0.15 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.14 2qux s THR 89 CO 0.02 -0.19 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.06 2qux s ILE 90 N 1.43 3.11 0.16 1.82 -1.09 -0.66 -4.98 121.20 121.00 2qux s ILE 90 Ca -0.01 -0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 2qux s ILE 90 Cb -0.19 -2.42 -0.07 0.00 -1.58 0.00 0.00 42.46 38.19 2qux s ILE 90 CO 0.04 0.41 1.09 -0.69 -1.23 0.00 0.00 174.94 174.56 2qux s VAL 91 N 1.43 3.93 0.11 2.92 1.01 -1.26 -0.50 120.40 128.04 2qux s VAL 91 Ca 0.05 1.64 -0.18 0.00 0.00 0.00 0.00 61.98 63.49 2qux s VAL 91 Cb -0.14 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2qux s VAL 91 CO -0.05 0.27 1.65 0.00 0.00 0.00 0.00 175.10 176.97 2qux h ALA 92 N 5.25 0.36 -0.03 5.51 0.00 -1.70 -2.64 119.26 126.01 2qux h ALA 92 Ca -0.44 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2qux h ALA 92 Cb 1.21 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2qux h ALA 92 CO 0.73 -0.04 0.00 0.27 0.00 0.00 0.00 179.25 180.20 2qux n ASN 93 N -4.76 0.20 -4.82 0.00 6.94 -1.26 -4.95 115.26 106.60 2qux n ASN 93 Ca -0.02 -1.86 -0.31 0.00 -0.02 0.00 0.00 54.58 52.36 2qux n ASN 93 Cb 0.13 -0.02 0.04 0.00 -2.36 0.00 0.00 39.78 37.57 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 -1.15 5.58 0.44 0.53 1.04 -1.00 -5.02 113.70 114.12 2qux s SER 94 Ca 0.09 1.63 -0.23 0.00 0.48 0.00 0.00 55.95 57.92 2qux s SER 94 Cb 0.04 -2.50 -0.08 0.00 0.10 0.00 0.00 66.02 63.58 2qux s SER 94 CO 0.07 -1.31 1.09 0.42 0.98 0.00 0.00 173.24 174.49 2qux s THR 95 N -2.95 3.48 0.29 2.02 -4.23 -1.26 -4.95 115.64 108.04 2qux s THR 95 Ca 0.59 1.08 0.01 0.00 -1.18 0.00 0.00 61.69 62.19 2qux s THR 95 Cb -0.14 -3.53 0.28 0.00 1.34 0.00 0.00 72.50 70.45 2qux s THR 95 CO 0.51 -0.05 1.86 -0.08 -0.54 0.00 0.00 174.62 176.32 2qux h GLU 96 N 2.12 0.99 -0.43 3.99 4.81 -1.99 -2.35 114.58 121.72 2qux h GLU 96 Ca -0.49 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 58.74 2qux h GLU 96 Cb 1.23 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 2qux h GLU 96 CO 0.61 0.66 0.14 0.00 -0.73 0.00 0.00 179.01 179.68 2qux h ALA 97 N 1.52 0.50 -0.46 2.92 0.00 -1.98 0.23 119.26 121.99 2qux h ALA 97 Ca 0.47 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.35 2qux h ALA 97 Cb 0.40 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2qux h ALA 97 CO -0.23 -0.25 -0.06 0.66 0.00 0.00 0.00 179.25 179.37 2qux h SER 98 N 0.30 0.78 -0.10 0.00 4.64 -1.83 0.46 113.55 117.80 2qux h SER 98 Ca 0.20 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2qux h SER 98 Cb 0.21 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qux h SER 98 CO -0.22 0.88 -0.16 0.03 -0.87 0.00 0.00 176.83 176.49 2qux h ARG 99 N 0.73 0.29 -0.48 4.77 3.08 -1.17 -2.58 114.38 119.02 2qux h ARG 99 Ca 0.13 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2qux h ARG 99 Cb 0.53 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2qux h ARG 99 CO 0.03 0.75 0.28 -0.22 -1.07 0.00 0.00 179.97 179.73 2qux h LYS 100 N -0.15 0.65 -0.12 0.04 1.63 -0.49 -0.97 116.57 117.16 2qux h LYS 100 Ca 0.01 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 2qux h LYS 100 Cb 0.73 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.21 2qux h LYS 100 CO 0.04 0.47 0.04 1.03 -3.45 0.00 0.00 179.45 177.57 2qux h SER 101 N 0.66 0.17 -0.41 4.20 0.87 -0.87 0.48 113.55 118.64 2qux h SER 101 Ca 0.17 -0.19 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2qux h SER 101 Cb -0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 2qux h SER 101 CO -0.03 0.31 0.25 0.25 -0.53 0.00 0.00 176.83 177.09 2qux h LEU 102 N 0.01 0.49 0.03 2.23 5.85 -1.29 1.00 115.31 123.63 2qux h LEU 102 Ca 0.04 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2qux h LEU 102 Cb 0.20 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2qux h LEU 102 CO -0.00 0.39 -0.41 0.22 -0.34 0.00 0.00 178.44 178.30 2qux h TYR 103 N 0.55 -1.16 -0.62 1.25 3.20 -1.09 -1.99 116.97 117.10 2qux h TYR 103 Ca 0.15 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2qux h TYR 103 Cb -0.01 0.51 -0.03 0.00 1.54 0.00 0.00 36.73 38.73 2qux h TYR 103 CO -0.04 -0.50 0.36 -0.44 -1.64 0.00 0.00 178.16 175.91 2qux h ASP 104 N -0.58 0.76 -0.75 -2.11 3.32 -0.51 0.10 116.42 116.64 2qux h ASP 104 Ca 0.04 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2qux h ASP 104 Cb 0.65 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 2qux h ASP 104 CO -0.30 0.61 0.48 -0.07 -1.72 0.00 0.00 179.24 178.24 2qux h LEU 105 N 0.85 0.78 -0.33 1.55 3.38 -0.81 -1.27 115.31 119.47 2qux h LEU 105 Ca 0.22 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.03 2qux h LEU 105 Cb 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2qux h LEU 105 CO -0.04 0.54 -0.41 0.74 0.09 0.00 0.00 178.44 179.36 2qux h THR 106 N 0.93 1.28 -0.27 0.22 2.02 -0.98 0.19 112.91 116.29 2qux h THR 106 Ca 0.30 -1.59 0.06 0.00 0.77 0.00 0.00 66.41 65.95 2qux h THR 106 Cb 0.01 1.52 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 2qux h THR 106 CO -0.11 0.52 -0.32 0.50 0.37 0.00 0.00 175.52 176.49 2qux h LYS 107 N 0.65 -0.30 -0.62 6.66 3.64 -0.83 -1.20 116.57 124.56 2qux h LYS 107 Ca 0.04 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2qux h LYS 107 Cb 1.01 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.87 2qux h LYS 107 CO 0.10 -0.20 0.40 1.03 -2.27 0.00 0.00 179.45 178.51 2qux h SER 108 N -0.31 0.73 -0.08 4.20 0.87 -1.14 -2.53 113.55 115.29 2qux h SER 108 Ca 0.14 -0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 2qux h SER 108 Cb 0.53 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 2qux h SER 108 CO -0.45 0.55 -0.08 0.25 -0.53 0.00 0.00 176.83 176.57 2qux h LEU 109 N 0.85 -0.26 -1.16 2.23 5.85 -0.27 -2.38 115.31 120.16 2qux h LEU 109 Ca 0.23 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 2qux h LEU 109 Cb -0.07 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2qux h LEU 109 CO -0.05 -0.12 -0.13 0.58 -0.34 0.00 0.00 178.44 178.38 2qux h VAL 110 N -0.11 1.22 0.00 1.05 2.07 -1.23 -2.82 116.25 116.43 2qux h VAL 110 Ca 0.06 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2qux h VAL 110 Cb 0.19 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2qux h VAL 110 CO -0.15 0.32 0.00 0.00 0.02 0.00 0.00 177.57 177.76 2qux h ALA 111 N 1.47 1.00 -2.95 1.67 0.00 -1.07 -3.42 119.26 115.96 2qux h ALA 111 Ca 0.07 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.45 2qux h ALA 111 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.37 2qux h ALA 111 CO 0.03 0.00 0.76 0.95 0.00 0.00 0.00 179.25 180.99 2qux s THR 112 N -3.35 2.10 0.30 0.00 -4.23 -0.93 -4.90 115.64 104.62 2qux s THR 112 Ca 0.05 0.10 0.27 0.00 -1.18 0.00 0.00 61.69 60.93 2qux s THR 112 Cb 0.09 -3.06 0.28 0.00 1.34 0.00 0.00 72.50 71.15 2qux s THR 112 CO 0.52 0.02 1.98 0.77 -0.54 0.00 0.00 174.62 177.37 2qux h SER 113 N 2.92 0.00 -0.47 3.99 4.64 -1.90 -2.36 113.55 120.38 2qux h SER 113 Ca -0.51 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.85 2qux h SER 113 Cb 1.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.30 2qux h SER 113 CO 0.64 0.15 0.25 1.56 -0.87 0.00 0.00 176.83 178.56 2qux h GLN 114 N 0.00 0.48 -0.50 4.77 4.20 -1.93 0.30 115.11 122.42 2qux h GLN 114 Ca -0.00 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.57 2qux h GLN 114 Cb 0.50 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2qux h GLN 114 CO 0.02 0.32 -0.11 0.28 -0.67 0.00 0.00 178.83 178.67 2qux h VAL 115 N 0.49 1.27 -0.73 -0.54 2.07 -1.69 -1.33 116.25 115.80 2qux h VAL 115 Ca 0.20 -1.25 0.07 0.00 0.82 0.00 0.00 66.70 66.53 2qux h VAL 115 Cb 0.08 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2qux h VAL 115 CO -0.12 0.44 0.41 -0.08 0.02 0.00 0.00 177.57 178.24 2qux h GLU 116 N 0.82 0.73 -0.78 1.57 4.81 -1.39 -1.47 114.58 118.86 2qux h GLU 116 Ca 0.13 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2qux h GLU 116 Cb 0.67 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2qux h GLU 116 CO 0.05 0.48 0.35 -0.44 -0.73 0.00 0.00 179.01 178.72 2qux h ASP 117 N 0.75 1.04 0.45 1.04 3.32 -0.60 0.13 116.42 122.55 2qux h ASP 117 Ca 0.33 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 2qux h ASP 117 Cb 0.22 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2qux h ASP 117 CO -0.20 0.89 -0.22 0.25 -1.72 0.00 0.00 179.24 178.25 2qux h LEU 118 N 1.12 -0.52 -0.44 1.55 5.85 -0.93 -0.01 115.31 121.94 2qux h LEU 118 Ca 0.27 -0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.77 2qux h LEU 118 Cb 0.15 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 2qux h LEU 118 CO -0.03 -0.26 -0.48 0.58 -0.34 0.00 0.00 178.44 177.90 2qux h VAL 119 N -0.75 1.29 0.13 1.05 2.07 -1.20 -0.59 116.25 118.25 2qux h VAL 119 Ca -0.06 -1.68 -0.35 0.00 0.82 0.00 0.00 66.70 65.43 2qux h VAL 119 Cb 0.54 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2qux h VAL 119 CO 0.10 0.54 -1.84 0.58 0.02 0.00 0.00 177.57 176.98 2qux h VAL 120 N 0.60 0.81 0.00 2.57 2.07 -0.83 -3.42 116.25 118.05 2qux h VAL 120 Ca 0.03 -2.49 0.00 0.00 0.82 0.00 0.00 66.70 65.06 2qux h VAL 120 Cb 1.06 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2qux h VAL 120 CO 0.10 0.84 0.00 0.59 0.02 0.00 0.00 177.57 179.12 2qux n ASN 121 N -3.47 1.12 -1.43 0.57 3.02 -0.09 -5.01 115.26 109.97 2qux n ASN 121 Ca -0.26 -1.16 -0.17 0.00 -0.03 0.00 0.00 54.58 52.96 2qux n ASN 121 Cb 1.06 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 40.16 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 -0.08 -1.34 -4.67 3.41 4.77 -0.23 -4.94 117.00 113.92 2qux n LEU 122 Ca 0.00 0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.92 2qux n LEU 122 Cb 0.05 -2.48 -0.02 0.00 -2.33 0.00 0.00 43.42 38.64 2qux n LEU 122 CO 0.00 -0.81 0.87 -0.69 -1.33 0.00 0.00 177.39 175.43 2qux s VAL 123 N -2.68 4.72 0.70 4.08 1.01 -0.91 -4.89 120.40 122.43 2qux s VAL 123 Ca 0.00 2.02 -0.16 0.00 0.00 0.00 0.00 61.98 63.84 2qux s VAL 123 Cb 0.00 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2qux s VAL 123 CO 0.00 -0.12 1.07 -2.65 0.00 0.00 0.00 175.10 173.40 2qux n PRO 124 N 5.88 0.65 -1.54 2.72 -0.02 -1.26 -3.38 135.00 138.05 2qux n PRO 124 Ca 0.11 0.28 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 2qux n PRO 124 Cb 0.47 -2.31 0.07 0.00 -0.02 0.00 0.00 33.50 31.71 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 -3.58 3.25 0.00 2.45 1.43 -1.26 -4.94 118.68 116.03 2qux s LEU 125 Ca 0.76 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 2qux s LEU 125 Cb -0.35 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.32 2qux s LEU 125 CO 0.48 -1.85 0.00 0.61 0.23 0.00 0.00 176.35 175.81 2qux n GLY 126 N -0.67 2.88 0.00 -3.19 0.00 -1.26 -5.20 105.19 97.74 2qux n GLY 126 Ca 0.10 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2qux n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86