#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 6.05 0.33 3.17 0.01 -1.26 -5.03 113.70 116.98 2qux s SER 1 Ca 0.00 1.70 -0.21 0.00 1.31 0.00 0.00 55.95 58.75 2qux s SER 1 Cb 0.00 -2.52 -0.10 0.00 0.21 0.00 0.00 66.02 63.62 2qux s SER 1 CO 0.00 -0.98 0.85 -0.54 0.41 0.00 0.00 173.24 172.98 2qux s LYS 2 N -4.22 4.27 0.16 12.44 1.02 -1.26 -4.84 119.74 127.31 2qux s LYS 2 Ca 0.61 1.02 0.09 0.00 0.02 0.00 0.00 55.97 57.71 2qux s LYS 2 Cb -0.14 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 2qux s LYS 2 CO 0.38 0.18 -0.19 0.95 -0.92 0.00 0.00 175.35 175.74 2qux s THR 3 N -1.85 1.86 -0.14 2.17 -4.23 -1.26 -1.05 115.64 111.14 2qux s THR 3 Ca 0.53 -1.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2qux s THR 3 Cb -0.13 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 71.89 2qux s THR 3 CO 0.18 -0.25 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.33 2qux s ILE 4 N -1.86 1.76 -0.26 2.99 2.07 -0.02 -5.00 121.20 120.88 2qux s ILE 4 Ca 0.15 -0.78 -0.12 0.00 -1.41 0.00 0.00 60.65 58.50 2qux s ILE 4 Cb -0.07 -1.60 -0.05 0.00 0.13 0.00 0.00 42.46 40.88 2qux s ILE 4 CO 0.07 0.49 0.22 -0.69 -1.91 0.00 0.00 174.94 173.12 2qux s VAL 5 N 1.15 5.30 -0.24 4.00 1.01 -1.26 -0.67 120.40 129.69 2qux s VAL 5 Ca -0.01 0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 2qux s VAL 5 Cb -0.14 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2qux s VAL 5 CO -0.06 0.27 0.13 -0.76 0.00 0.00 0.00 175.10 174.68 2qux s LEU 6 N 1.52 3.90 -0.14 3.92 1.43 0.18 -4.94 118.68 124.56 2qux s LEU 6 Ca 0.09 0.02 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 2qux s LEU 6 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2qux s LEU 6 CO 0.08 0.04 0.38 -0.44 0.23 0.00 0.00 176.35 176.64 2qux s SER 7 N 1.19 6.55 -0.51 2.29 0.01 -1.26 0.13 113.70 122.11 2qux s SER 7 Ca 0.06 0.65 0.04 0.00 1.31 0.00 0.00 55.95 58.01 2qux s SER 7 Cb -0.14 -2.23 0.16 0.00 0.21 0.00 0.00 66.02 64.02 2qux s SER 7 CO 0.05 0.06 0.35 -0.69 0.41 0.00 0.00 173.24 173.42 2qux s VAL 8 N 0.52 1.42 0.00 3.43 1.01 0.84 -4.97 120.40 122.65 2qux s VAL 8 Ca 0.21 -3.09 0.00 0.00 0.00 0.00 0.00 61.98 59.10 2qux s VAL 8 Cb -0.14 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.28 2qux s VAL 8 CO 0.07 -1.06 0.00 0.61 0.00 0.00 0.00 175.10 174.72 2qux n GLY 9 N 2.83 1.22 0.16 4.51 0.00 -1.26 -2.80 105.19 109.84 2qux n GLY 9 Ca 0.20 -0.59 0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 -6.86 1.61 4.81 -2.03 -3.44 114.58 108.68 2qux h GLU 10 Ca 0.00 0.00 -0.50 0.00 -0.13 0.00 0.00 59.36 58.73 2qux h GLU 10 Cb 0.00 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.40 2qux h GLU 10 CO 0.00 0.52 0.47 0.00 -0.73 0.00 0.00 179.01 179.27 2qux s ALA 11 N -3.54 3.32 0.22 2.92 0.00 -1.12 -5.08 121.76 118.48 2qux s ALA 11 Ca -0.00 0.88 0.11 0.00 0.00 0.00 0.00 51.96 52.95 2qux s ALA 11 Cb 0.12 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2qux s ALA 11 CO 0.73 -0.23 -0.17 0.95 0.00 0.00 0.00 175.76 177.04 2qux s THR 12 N -1.29 2.72 -0.04 0.00 -4.23 -1.26 -0.11 115.64 111.43 2qux s THR 12 Ca 0.49 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2qux s THR 12 Cb -0.30 -2.37 0.02 0.00 1.34 0.00 0.00 72.50 71.19 2qux s THR 12 CO 0.39 -0.22 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.07 2qux s ARG 13 N -3.05 0.84 -0.19 3.99 0.52 0.35 -4.91 118.95 116.49 2qux s ARG 13 Ca 0.25 -0.11 -0.02 0.00 -0.52 0.00 0.00 55.73 55.33 2qux s ARG 13 Cb -0.07 -0.84 -0.00 0.00 0.52 0.00 0.00 34.95 34.55 2qux s ARG 13 CO 0.14 -0.08 -0.09 0.99 0.02 0.00 0.00 175.30 176.28 2qux s THR 14 N 0.90 3.03 -0.14 0.02 2.01 -1.26 0.49 115.64 120.69 2qux s THR 14 Ca -0.11 -0.62 -0.06 0.00 0.31 0.00 0.00 61.69 61.20 2qux s THR 14 Cb -0.14 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 2qux s THR 14 CO 0.00 0.47 0.08 -0.76 -0.69 0.00 0.00 174.62 173.72 2qux s LEU 15 N 1.19 3.97 -0.03 4.42 1.43 0.16 -4.25 118.68 125.56 2qux s LEU 15 Ca 0.02 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.40 2qux s LEU 15 Cb -0.14 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 2qux s LEU 15 CO -0.03 0.30 -0.19 -0.89 0.23 0.00 0.00 176.35 175.76 2qux s THR 16 N -0.37 1.58 -0.07 5.49 2.01 -0.44 -0.84 115.64 123.00 2qux s THR 16 Ca 0.10 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 2qux s THR 16 Cb -0.12 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 2qux s THR 16 CO 0.02 0.45 1.40 -0.70 -0.69 0.00 0.00 174.62 175.10 2qux s GLU 17 N -0.22 4.25 -0.02 4.92 2.12 -0.21 -0.73 118.70 128.81 2qux s GLU 17 Ca 0.01 1.91 0.13 0.00 0.36 0.00 0.00 54.97 57.38 2qux s GLU 17 Cb -0.10 -3.73 -0.20 0.00 0.26 0.00 0.00 34.13 30.37 2qux s GLU 17 CO 0.01 -0.67 0.28 0.44 -0.54 0.00 0.00 175.26 174.78 2qux n ILE 18 N 5.06 0.02 -3.76 -3.70 -5.35 0.17 -4.75 119.36 107.05 2qux n ILE 18 Ca 0.14 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.20 2qux n ILE 18 Cb 0.44 0.19 -0.11 0.00 -1.74 0.00 0.00 39.64 38.42 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 -2.88 0.34 -0.28 6.28 -0.44 -1.10 -5.00 119.66 116.59 2qux s GLN 19 Ca -0.05 0.47 -0.03 0.00 -2.50 0.00 0.00 55.36 53.26 2qux s GLN 19 Cb 0.08 0.12 0.17 0.00 -1.64 0.00 0.00 33.01 31.74 2qux s GLN 19 CO 0.53 -0.07 0.55 0.45 0.50 0.00 0.00 175.29 177.26 2qux s SER 20 N 0.41 -1.00 0.29 6.67 0.15 -1.26 -0.40 113.70 118.56 2qux s SER 20 Ca -0.02 0.83 0.01 0.00 0.70 0.00 0.00 55.95 57.47 2qux s SER 20 Cb -0.04 1.94 -0.00 0.00 -1.71 0.00 0.00 66.02 66.21 2qux s SER 20 CO -0.02 -0.26 0.02 0.35 1.20 0.00 0.00 173.24 174.53 2qux n THR 21 N 5.42 0.00 0.12 6.45 -2.24 -0.50 -5.01 114.28 118.52 2qux n THR 21 Ca -0.03 -1.44 0.03 0.00 -2.27 0.00 0.00 64.05 60.34 2qux n THR 21 Cb 0.51 0.35 0.42 0.00 -2.10 0.00 0.00 70.33 69.51 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 1.23 1.59 -0.06 6.98 0.00 -2.01 -3.32 119.26 123.67 2qux h ALA 22 Ca -0.24 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 2qux h ALA 22 Cb 0.76 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2qux h ALA 22 CO 0.39 0.30 -0.43 -0.44 0.00 0.00 0.00 179.25 179.07 2qux h ASP 23 N 0.24 0.48 -5.00 0.00 3.32 -1.96 -3.44 116.42 110.06 2qux h ASP 23 Ca 0.05 -0.68 -0.07 0.00 0.02 0.00 0.00 57.03 56.35 2qux h ASP 23 Cb 0.27 -0.14 -0.19 0.00 0.22 0.00 0.00 39.33 39.49 2qux h ASP 23 CO 0.01 1.09 0.10 -0.60 -1.72 0.00 0.00 179.24 178.12 2qux s ARG 24 N -3.51 1.00 0.09 3.56 3.52 -1.25 -3.98 118.95 118.37 2qux s ARG 24 Ca -0.14 0.12 0.10 0.00 -0.13 0.00 0.00 55.73 55.68 2qux s ARG 24 Cb 0.04 0.46 -0.03 0.00 -1.56 0.00 0.00 34.95 33.86 2qux s ARG 24 CO 0.80 -0.31 -0.25 1.14 -0.81 0.00 0.00 175.30 175.86 2qux s GLN 25 N -1.38 1.48 -0.06 5.12 -2.07 0.11 -1.41 119.66 121.46 2qux s GLN 25 Ca -0.11 -1.20 0.01 0.00 -1.82 0.00 0.00 55.36 52.24 2qux s GLN 25 Cb -0.01 -1.81 0.02 0.00 -1.09 0.00 0.00 33.01 30.12 2qux s GLN 25 CO 0.07 0.44 -0.07 0.42 -1.32 0.00 0.00 175.29 174.84 2qux s ILE 26 N -0.97 0.75 -0.05 3.63 1.01 0.46 -0.92 121.20 125.12 2qux s ILE 26 Ca 0.11 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.58 2qux s ILE 26 Cb -0.10 -0.75 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 2qux s ILE 26 CO 0.04 0.28 -0.18 -0.36 0.00 0.00 0.00 174.94 174.72 2qux s PHE 27 N 0.98 2.60 0.01 3.97 0.40 0.55 -0.66 117.98 125.83 2qux s PHE 27 Ca -0.10 -0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.01 2qux s PHE 27 Cb -0.14 -1.61 -0.02 0.00 0.51 0.00 0.00 43.02 41.76 2qux s PHE 27 CO 0.00 0.09 -0.16 -1.21 0.70 0.00 0.00 175.22 174.64 2qux s GLU 28 N -0.63 1.24 -0.28 0.44 2.02 0.09 -0.56 118.70 121.03 2qux s GLU 28 Ca 0.09 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 2qux s GLU 28 Cb -0.11 -1.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.88 2qux s GLU 28 CO 0.01 0.33 1.45 -2.00 0.02 0.00 0.00 175.26 175.07 2qux s GLU 29 N -0.65 3.83 -1.25 1.61 2.12 -0.16 -1.32 118.70 122.87 2qux s GLU 29 Ca 0.05 1.40 -0.05 0.00 0.36 0.00 0.00 54.97 56.73 2qux s GLU 29 Cb -0.07 -3.96 0.13 0.00 0.26 0.00 0.00 34.13 30.49 2qux s GLU 29 CO 0.00 -1.24 2.38 1.63 -0.54 0.00 0.00 175.26 177.48 2qux n LYS 30 N 7.54 4.51 -4.02 4.30 5.02 -1.26 -4.49 118.16 129.77 2qux n LYS 30 Ca 0.17 -3.47 -0.11 0.00 -2.02 0.00 0.00 58.31 52.88 2qux n LYS 30 Cb 0.46 -2.59 -0.11 0.00 -0.02 0.00 0.00 35.03 32.77 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 -1.44 0.31 0.00 -0.18 -7.23 -1.26 -5.12 120.40 105.47 2qux s VAL 31 Ca 0.53 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2qux s VAL 31 Cb 0.20 -0.40 0.00 0.00 0.56 0.00 0.00 36.38 36.74 2qux s VAL 31 CO -0.11 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 2qux n GLY 32 N 1.68 -1.79 3.75 2.32 0.00 -1.26 -4.88 105.19 105.02 2qux n GLY 32 Ca -0.22 -1.80 -0.31 0.00 0.00 0.00 0.00 46.02 43.68 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 2.10 0.38 1.61 0.04 -1.26 -4.95 135.00 132.91 2qux s PRO 33 Ca 0.00 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.38 2qux s PRO 33 Cb 0.00 -1.87 0.74 0.00 0.04 0.00 0.00 34.50 33.41 2qux s PRO 33 CO 0.00 -1.78 1.92 -0.07 0.04 0.00 0.00 177.00 177.11 2qux h LEU 34 N -1.13 0.33 -9.42 -3.56 -0.00 -1.99 -3.40 115.31 96.14 2qux h LEU 34 Ca -0.44 -0.06 -0.54 0.00 -0.00 0.00 0.00 57.88 56.85 2qux h LEU 34 Cb 1.24 -0.09 0.01 0.00 -0.00 0.00 0.00 40.66 41.82 2qux h LEU 34 CO 0.50 0.43 0.86 -0.69 -0.00 0.00 0.00 178.44 179.54 2qux s VAL 35 N -4.90 3.46 -0.81 1.22 1.01 -1.26 -3.77 120.40 115.35 2qux s VAL 35 Ca -0.06 0.90 -0.01 0.00 0.00 0.00 0.00 61.98 62.81 2qux s VAL 35 Cb 0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2qux s VAL 35 CO 0.74 0.01 0.09 0.61 0.00 0.00 0.00 175.10 176.55 2qux n GLY 36 N 3.72 0.01 3.74 4.51 0.00 -1.26 -4.98 105.19 110.92 2qux n GLY 36 Ca 0.14 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.67 4.39 0.10 1.61 0.52 -1.25 -4.42 118.95 115.24 2qux s ARG 37 Ca 0.04 2.05 -0.35 0.00 -0.52 0.00 0.00 55.73 56.95 2qux s ARG 37 Cb -0.02 -3.19 -0.15 0.00 0.52 0.00 0.00 34.95 32.11 2qux s ARG 37 CO 0.05 -0.24 1.49 -0.11 0.02 0.00 0.00 175.30 176.51 2qux n LEU 38 N 2.53 2.41 -4.08 2.53 7.94 -1.26 -4.78 117.00 122.29 2qux n LEU 38 Ca 0.06 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.79 2qux n LEU 38 Cb 0.43 -1.30 -0.16 0.00 0.53 0.00 0.00 43.42 42.91 2qux n LEU 38 CO 0.58 -0.63 -0.49 -0.60 -1.11 0.00 0.00 177.39 175.13 2qux s ARG 39 N 0.96 1.92 -0.10 1.96 3.52 -0.89 -0.99 118.95 125.34 2qux s ARG 39 Ca 0.83 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 2qux s ARG 39 Cb -0.82 -1.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.97 2qux s ARG 39 CO 0.44 0.11 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.77 2qux s LEU 40 N 0.43 2.93 -0.08 -0.88 2.96 0.28 -0.70 118.68 123.62 2qux s LEU 40 Ca -0.12 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 2qux s LEU 40 Cb -0.15 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.91 2qux s LEU 40 CO 0.04 0.26 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.30 2qux s THR 41 N -0.21 1.32 -0.02 3.68 2.01 0.00 -0.33 115.64 122.10 2qux s THR 41 Ca 0.02 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.47 2qux s THR 41 Cb -0.13 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 2qux s THR 41 CO 0.03 0.40 -0.13 0.00 -0.69 0.00 0.00 174.62 174.23 2qux s ALA 42 N 0.67 1.12 0.02 7.40 0.00 -0.10 -0.79 121.76 130.08 2qux s ALA 42 Ca -0.14 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 2qux s ALA 42 Cb -0.16 -0.31 -0.00 0.00 0.00 0.00 0.00 23.12 22.65 2qux s ALA 42 CO 0.04 0.25 0.14 -1.54 0.00 0.00 0.00 175.76 174.65 2qux s SER 43 N -0.20 0.06 -0.05 0.00 1.04 -0.14 0.07 113.70 114.48 2qux s SER 43 Ca 0.03 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2qux s SER 43 Cb -0.06 0.23 0.01 0.00 0.10 0.00 0.00 66.02 66.29 2qux s SER 43 CO -0.00 -0.44 -0.13 -0.22 0.98 0.00 0.00 173.24 173.44 2qux s LEU 44 N -1.69 1.73 0.19 2.42 2.96 -1.26 -0.88 118.68 122.17 2qux s LEU 44 Ca -0.11 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2qux s LEU 44 Cb -0.05 -0.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 2qux s LEU 44 CO -0.01 0.07 0.30 0.00 -1.32 0.00 0.00 176.35 175.39 2qux s ARG 45 N 0.42 1.27 0.12 1.98 1.70 -0.65 -4.89 118.95 118.89 2qux s ARG 45 Ca -0.09 -1.29 0.05 0.00 -0.47 0.00 0.00 55.73 53.92 2qux s ARG 45 Cb -0.13 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.59 2qux s ARG 45 CO 0.03 -0.47 0.04 -0.65 -1.08 0.00 0.00 175.30 173.17 2qux s GLN 46 N -4.02 2.65 1.19 3.89 -0.21 -1.26 -0.45 119.66 121.45 2qux s GLN 46 Ca 0.23 -0.87 -0.20 0.00 0.02 0.00 0.00 55.36 54.54 2qux s GLN 46 Cb 0.03 -2.56 0.29 0.00 1.00 0.00 0.00 33.01 31.77 2qux s GLN 46 CO 0.05 0.52 1.13 0.27 -2.12 0.00 0.00 175.29 175.14 2qux n ASN 47 N 0.24 -1.73 -0.02 5.90 6.94 -0.85 -4.89 115.26 120.84 2qux n ASN 47 Ca -0.10 -1.22 -0.12 0.00 -0.02 0.00 0.00 54.58 53.12 2qux n ASN 47 Cb 0.53 -1.01 -0.08 0.00 -2.36 0.00 0.00 39.78 36.86 2qux n ASN 47 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2qux h GLY 48 N -2.56 0.12 2.00 4.83 0.00 -2.01 -2.99 103.07 102.47 2qux h GLY 48 Ca -0.42 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2qux h GLY 48 CO 0.28 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.90 2qux n ALA 49 N -2.29 1.51 -3.36 3.60 0.00 -1.26 -4.90 120.51 113.80 2qux n ALA 49 Ca -0.07 0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.18 2qux n ALA 49 Cb 0.20 -1.28 0.06 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.89 -6.73 0.00 0.00 5.02 -1.13 -4.93 118.16 108.50 2qux n LYS 50 Ca 0.02 0.84 0.05 0.00 -2.02 0.00 0.00 58.31 57.20 2qux n LYS 50 Cb 0.16 -5.78 0.04 0.00 -0.02 0.00 0.00 35.03 29.42 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 -4.80 0.00 -3.49 -0.18 -2.24 -1.26 -4.97 114.28 97.34 2qux n THR 51 Ca -0.04 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 2qux n THR 51 Cb 0.58 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.87 -1.49 -0.02 6.98 0.00 -1.26 -1.37 121.76 123.73 2qux s ALA 52 Ca 0.12 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.68 2qux s ALA 52 Cb 0.08 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 2qux s ALA 52 CO 0.13 -0.64 -0.11 0.71 0.00 0.00 0.00 175.76 175.85 2qux s TYR 53 N -3.12 2.79 -0.22 0.00 2.02 -0.06 -2.01 117.35 116.74 2qux s TYR 53 Ca -0.02 -0.10 -0.03 0.00 -0.37 0.00 0.00 57.07 56.55 2qux s TYR 53 Cb -0.00 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.94 2qux s TYR 53 CO -0.07 0.29 -0.06 1.03 -1.57 0.00 0.00 175.55 175.16 2qux s ARG 54 N -1.08 3.25 -0.17 -0.62 1.81 0.41 -1.76 118.95 120.78 2qux s ARG 54 Ca 0.14 -0.70 -0.11 0.00 -1.72 0.00 0.00 55.73 53.34 2qux s ARG 54 Cb -0.11 -2.95 -0.05 0.00 -0.45 0.00 0.00 34.95 31.39 2qux s ARG 54 CO 0.04 -0.23 0.18 0.08 -0.68 0.00 0.00 175.30 174.69 2qux s VAL 55 N 1.44 5.39 -0.10 3.52 1.01 -0.50 -1.64 120.40 129.52 2qux s VAL 55 Ca 0.05 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.37 2qux s VAL 55 Cb -0.14 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2qux s VAL 55 CO -0.05 0.47 -0.23 0.20 0.00 0.00 0.00 175.10 175.49 2qux s ASN 56 N 0.07 3.01 -0.04 3.32 0.02 -0.06 -1.67 114.94 119.60 2qux s ASN 56 Ca 0.12 -0.55 0.02 0.00 -1.02 0.00 0.00 52.86 51.43 2qux s ASN 56 Cb -0.12 -1.38 0.01 0.00 0.02 0.00 0.00 41.25 39.78 2qux s ASN 56 CO 0.01 0.14 -0.08 -0.22 0.02 0.00 0.00 177.10 176.97 2qux s LEU 57 N 0.44 1.58 -0.08 0.60 2.96 -0.99 -0.97 118.68 122.22 2qux s LEU 57 Ca -0.17 -0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 53.52 2qux s LEU 57 Cb -0.17 -0.58 0.04 0.00 0.50 0.00 0.00 46.19 45.98 2qux s LEU 57 CO 0.07 0.01 0.15 -0.75 -1.32 0.00 0.00 176.35 174.51 2qux s LYS 58 N 0.59 0.05 -0.20 1.98 2.20 0.03 0.03 119.74 124.42 2qux s LYS 58 Ca -0.10 0.48 -0.06 0.00 -0.36 0.00 0.00 55.97 55.94 2qux s LYS 58 Cb -0.13 -0.24 -0.03 0.00 -1.51 0.00 0.00 37.83 35.92 2qux s LYS 58 CO 0.01 -0.25 0.02 -1.17 -0.36 0.00 0.00 175.35 173.60 2qux s LEU 59 N 1.85 3.39 -0.23 5.43 2.96 -0.47 -0.81 118.68 130.80 2qux s LEU 59 Ca -0.02 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2qux s LEU 59 Cb -0.12 -1.86 0.04 0.00 0.50 0.00 0.00 46.19 44.75 2qux s LEU 59 CO -0.06 0.08 -0.13 -0.62 -1.32 0.00 0.00 176.35 174.30 2qux s ASP 60 N 0.91 3.95 -0.34 3.68 -1.08 0.12 -1.51 116.67 122.40 2qux s ASP 60 Ca 0.02 -1.04 -0.03 0.00 -0.52 0.00 0.00 52.55 50.98 2qux s ASP 60 Cb -0.14 -1.54 0.07 0.00 -1.46 0.00 0.00 42.92 39.85 2qux s ASP 60 CO 0.02 -0.11 0.09 -1.58 0.52 0.00 0.00 175.17 174.11 2qux s GLN 61 N 1.21 2.28 0.35 4.34 0.74 0.64 -2.09 119.66 127.12 2qux s GLN 61 Ca -0.02 -1.47 -0.26 0.00 0.05 0.00 0.00 55.36 53.66 2qux s GLN 61 Cb -0.17 -3.36 -0.09 0.00 1.10 0.00 0.00 33.01 30.49 2qux s GLN 61 CO -0.08 -0.79 1.00 0.00 -0.55 0.00 0.00 175.29 174.87 2qux s ALA 62 N 1.22 3.18 -0.40 1.58 0.00 -1.26 -1.11 121.76 124.97 2qux s ALA 62 Ca 0.00 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.45 2qux s ALA 62 Cb -0.21 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.70 2qux s ALA 62 CO -0.02 -0.01 0.28 0.34 0.00 0.00 0.00 175.76 176.35 2qux s ASP 63 N -1.52 6.06 -0.16 0.00 2.15 0.38 -4.96 116.67 118.61 2qux s ASP 63 Ca 0.53 -0.88 -0.05 0.00 0.43 0.00 0.00 52.55 52.58 2qux s ASP 63 Cb -0.21 -2.14 -0.03 0.00 -0.30 0.00 0.00 42.92 40.23 2qux s ASP 63 CO 0.27 -0.43 0.01 -0.69 -0.17 0.00 0.00 175.17 174.16 2qux s VAL 64 N 1.67 4.31 -0.19 1.11 1.01 -1.26 -0.61 120.40 126.43 2qux s VAL 64 Ca 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 2qux s VAL 64 Cb -0.19 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 2qux s VAL 64 CO 0.10 0.48 -0.03 0.68 0.00 0.00 0.00 175.10 176.33 2qux s VAL 65 N 0.31 3.71 -0.08 2.92 -7.23 -0.27 -4.96 120.40 114.80 2qux s VAL 65 Ca -0.00 -0.40 0.13 0.00 -1.81 0.00 0.00 61.98 59.90 2qux s VAL 65 Cb -0.13 -2.66 0.26 0.00 0.56 0.00 0.00 36.38 34.41 2qux s VAL 65 CO 0.02 0.45 1.12 -0.90 -0.31 0.00 0.00 175.10 175.48 2qux n ASP 66 N 4.16 1.20 -4.68 4.85 5.75 -1.26 -1.19 116.55 125.37 2qux n ASP 66 Ca -0.18 -2.68 -0.42 0.00 -0.01 0.00 0.00 54.79 51.51 2qux n ASP 66 Cb 0.52 -0.35 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 2qux n ASP 66 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2qux s SER 67 N -2.19 6.73 1.03 -1.12 0.01 -1.26 -4.53 113.70 112.37 2qux s SER 67 Ca 0.24 2.23 0.00 0.00 1.31 0.00 0.00 55.95 59.73 2qux s SER 67 Cb 0.24 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2qux s SER 67 CO -0.05 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.39 2qux n GLY 68 N 3.88 1.36 3.75 3.44 0.00 -1.26 -4.80 105.19 111.56 2qux n GLY 68 Ca 0.15 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 2qux n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qux s LEU 75 N 0.00 4.59 0.24 0.99 0.20 -1.26 -5.03 118.68 118.41 2qux s LEU 75 Ca 0.00 2.13 -0.30 0.00 0.69 0.00 0.00 54.13 56.65 2qux s LEU 75 Cb 0.00 -3.62 -0.10 0.00 -0.43 0.00 0.00 46.19 42.04 2qux s LEU 75 CO 0.00 -0.01 1.39 -2.84 -0.29 0.00 0.00 176.35 174.59 2qux s PRO 76 N -1.32 4.31 -0.12 0.98 0.02 -1.26 -4.46 135.00 133.15 2qux s PRO 76 Ca 0.43 2.21 -0.09 0.00 0.02 0.00 0.00 61.00 63.58 2qux s PRO 76 Cb -0.29 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 31.13 2qux s PRO 76 CO 0.37 -0.35 0.30 0.21 -0.33 0.00 0.00 177.00 177.20 2qux s LYS 77 N -0.36 0.32 -0.36 5.54 2.20 -0.34 -4.98 119.74 121.76 2qux s LYS 77 Ca 0.58 0.49 -0.22 0.00 -0.36 0.00 0.00 55.97 56.45 2qux s LYS 77 Cb -0.40 0.08 0.01 0.00 -1.51 0.00 0.00 37.83 36.00 2qux s LYS 77 CO 0.42 -0.09 0.74 0.08 -0.36 0.00 0.00 175.35 176.14 2qux s VAL 78 N 0.58 4.79 0.02 4.02 1.01 -1.26 -1.11 120.40 128.44 2qux s VAL 78 Ca -0.03 0.81 -0.25 0.00 0.00 0.00 0.00 61.98 62.51 2qux s VAL 78 Cb -0.05 -4.16 -0.18 0.00 0.00 0.00 0.00 36.38 31.99 2qux s VAL 78 CO -0.03 -0.38 1.44 0.03 0.00 0.00 0.00 175.10 176.15 2qux h ARG 79 N 8.45 -0.03 -3.02 2.72 3.08 -1.24 -3.49 114.38 120.85 2qux h ARG 79 Ca -0.25 0.00 0.06 0.00 0.07 0.00 0.00 59.98 59.86 2qux h ARG 79 Cb 1.10 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.10 2qux h ARG 79 CO 0.88 0.27 0.22 1.52 -1.07 0.00 0.00 179.97 181.80 2qux s TYR 80 N -4.98 -0.19 0.03 3.04 -0.85 -1.24 -5.02 117.35 108.14 2qux s TYR 80 Ca -0.15 -0.26 0.04 0.00 -0.52 0.00 0.00 57.07 56.19 2qux s TYR 80 Cb 0.03 0.69 -0.02 0.00 0.38 0.00 0.00 41.96 43.04 2qux s TYR 80 CO 0.66 -1.21 -0.13 0.95 -1.52 0.00 0.00 175.55 174.29 2qux s THR 81 N -3.92 1.05 0.06 -3.49 -4.23 -1.26 -0.47 115.64 103.38 2qux s THR 81 Ca 0.11 -0.90 0.09 0.00 -1.18 0.00 0.00 61.69 59.81 2qux s THR 81 Cb -0.06 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 2qux s THR 81 CO 0.06 0.04 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.84 2qux s GLN 82 N -0.97 1.59 0.00 3.99 -0.21 -0.27 -4.98 119.66 118.81 2qux s GLN 82 Ca 0.02 -1.10 0.01 0.00 0.02 0.00 0.00 55.36 54.30 2qux s GLN 82 Cb -0.07 -1.80 -0.00 0.00 1.00 0.00 0.00 33.01 32.13 2qux s GLN 82 CO 0.01 0.46 -0.03 0.08 -2.12 0.00 0.00 175.29 173.69 2qux s VAL 83 N -0.86 0.23 -0.21 1.09 1.01 -1.26 -0.26 120.40 120.13 2qux s VAL 83 Ca 0.11 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.86 2qux s VAL 83 Cb -0.10 -0.21 0.06 0.00 0.00 0.00 0.00 36.38 36.13 2qux s VAL 83 CO 0.03 0.01 0.03 0.86 0.00 0.00 0.00 175.10 176.03 2qux s TRP 84 N -0.19 1.27 0.15 5.22 -0.11 -0.57 -5.01 118.94 119.70 2qux s TRP 84 Ca -0.00 -1.06 0.08 0.00 1.22 0.00 0.00 56.10 56.34 2qux s TRP 84 Cb -0.02 -1.16 -0.04 0.00 -1.50 0.00 0.00 33.47 30.75 2qux s TRP 84 CO -0.00 -0.66 -0.12 -1.54 -4.62 0.00 0.00 176.95 170.02 2qux s SER 85 N 1.78 4.21 -0.01 5.86 1.04 -1.26 -1.36 113.70 123.95 2qux s SER 85 Ca -0.01 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 55.96 2qux s SER 85 Cb -0.17 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 2qux s SER 85 CO -0.09 0.14 -0.19 -1.00 0.98 0.00 0.00 173.24 173.08 2qux s HIS 86 N -1.45 1.66 -0.23 5.02 0.09 0.10 -4.99 115.29 115.50 2qux s HIS 86 Ca 0.22 -0.32 -0.01 0.00 -0.00 0.00 0.00 55.06 54.96 2qux s HIS 86 Cb -0.10 -1.06 0.07 0.00 -0.00 0.00 0.00 32.58 31.49 2qux s HIS 86 CO 0.14 -0.02 0.01 0.34 -0.00 0.00 0.00 174.74 175.21 2qux s ASP 87 N -0.49 3.45 -0.20 1.40 3.68 -1.26 -2.34 116.67 120.92 2qux s ASP 87 Ca 0.07 -1.10 -0.06 0.00 2.13 0.00 0.00 52.55 53.59 2qux s ASP 87 Cb -0.07 -0.86 -0.03 0.00 -1.45 0.00 0.00 42.92 40.51 2qux s ASP 87 CO -0.01 -0.30 0.03 -0.69 0.13 0.00 0.00 175.17 174.34 2qux s VAL 88 N 1.64 4.27 -0.41 1.11 1.01 -0.67 -4.96 120.40 122.38 2qux s VAL 88 Ca -0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.64 2qux s VAL 88 Cb -0.18 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.31 2qux s VAL 88 CO -0.10 0.42 0.28 -0.89 0.00 0.00 0.00 175.10 174.81 2qux s THR 89 N 0.95 4.83 -0.35 3.92 2.01 -1.26 -1.40 115.64 124.34 2qux s THR 89 Ca 0.03 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.00 2qux s THR 89 Cb -0.14 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.62 2qux s THR 89 CO 0.02 -0.38 0.13 -0.63 -0.69 0.00 0.00 174.62 173.08 2qux s ILE 90 N 1.58 4.03 0.27 1.82 1.01 -0.72 -4.97 121.20 124.21 2qux s ILE 90 Ca 0.03 -1.02 -0.21 0.00 0.00 0.00 0.00 60.65 59.46 2qux s ILE 90 Cb -0.21 -3.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 2qux s ILE 90 CO 0.07 -0.17 0.79 0.68 0.00 0.00 0.00 174.94 176.31 2qux s VAL 91 N 1.45 4.49 0.34 2.92 -7.23 -1.26 -0.88 120.40 120.23 2qux s VAL 91 Ca -0.00 1.39 0.10 0.00 -1.81 0.00 0.00 61.98 61.65 2qux s VAL 91 Cb -0.19 -3.85 0.33 0.00 0.56 0.00 0.00 36.38 33.22 2qux s VAL 91 CO 0.04 0.12 1.79 0.00 -0.31 0.00 0.00 175.10 176.74 2qux h ALA 92 N 3.15 1.84 -0.42 1.32 0.00 -1.59 -2.24 119.26 121.32 2qux h ALA 92 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2qux h ALA 92 Cb 1.19 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2qux h ALA 92 CO 0.65 -0.20 0.00 0.27 0.00 0.00 0.00 179.25 179.97 2qux n ASN 93 N -4.69 2.92 -4.83 0.00 6.94 -1.26 -4.97 115.26 109.37 2qux n ASN 93 Ca 0.23 -2.19 -0.32 0.00 -0.02 0.00 0.00 54.58 52.27 2qux n ASN 93 Cb 0.63 -0.41 -0.01 0.00 -2.36 0.00 0.00 39.78 37.63 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 -0.82 6.24 0.40 0.53 1.04 -0.84 -5.08 113.70 115.17 2qux s SER 94 Ca 0.31 1.64 -0.02 0.00 0.48 0.00 0.00 55.95 58.36 2qux s SER 94 Cb 0.19 -2.51 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 2qux s SER 94 CO 0.17 -0.85 0.65 0.42 0.98 0.00 0.00 173.24 174.60 2qux s THR 95 N -2.65 5.03 0.30 2.02 -4.23 -1.26 -5.02 115.64 109.83 2qux s THR 95 Ca 0.60 -0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.91 2qux s THR 95 Cb -0.12 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.12 2qux s THR 95 CO 0.37 -0.68 1.96 -0.08 -0.54 0.00 0.00 174.62 175.65 2qux h GLU 96 N 0.54 1.04 -0.58 3.99 4.81 -1.99 -2.72 114.58 119.68 2qux h GLU 96 Ca -0.49 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 58.72 2qux h GLU 96 Cb 1.21 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 2qux h GLU 96 CO 0.61 0.69 0.32 0.00 -0.73 0.00 0.00 179.01 179.91 2qux h ALA 97 N 1.50 0.75 -0.52 2.92 0.00 -1.98 0.96 119.26 122.89 2qux h ALA 97 Ca 0.32 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 2qux h ALA 97 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2qux h ALA 97 CO -0.08 0.01 -0.10 0.66 0.00 0.00 0.00 179.25 179.74 2qux h SER 98 N 0.63 1.00 -0.33 0.00 4.64 -1.91 0.09 113.55 117.66 2qux h SER 98 Ca 0.25 -0.35 -0.04 0.00 -0.47 0.00 0.00 61.79 61.18 2qux h SER 98 Cb 0.10 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 2qux h SER 98 CO -0.14 1.12 0.06 0.03 -0.87 0.00 0.00 176.83 177.02 2qux h ARG 99 N 0.86 0.55 -0.77 4.77 3.08 -1.31 -2.11 114.38 119.45 2qux h ARG 99 Ca 0.14 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2qux h ARG 99 Cb 0.67 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 2qux h ARG 99 CO 0.05 0.63 0.33 -0.22 -1.07 0.00 0.00 179.97 179.69 2qux h LYS 100 N 0.38 1.12 -0.70 0.04 1.63 -0.77 -1.79 116.57 116.48 2qux h LYS 100 Ca 0.10 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.66 2qux h LYS 100 Cb 0.34 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 2qux h LYS 100 CO 0.01 0.89 0.18 1.03 -3.45 0.00 0.00 179.45 178.11 2qux h SER 101 N 1.11 1.05 -0.07 4.20 0.87 -0.87 0.23 113.55 120.06 2qux h SER 101 Ca 0.26 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2qux h SER 101 Cb 0.17 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2qux h SER 101 CO -0.03 1.00 -0.00 0.25 -0.53 0.00 0.00 176.83 177.52 2qux h LEU 102 N 1.06 0.13 0.02 2.23 5.85 -1.26 -0.05 115.31 123.29 2qux h LEU 102 Ca 0.22 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2qux h LEU 102 Cb 0.35 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2qux h LEU 102 CO -0.00 0.41 -0.54 0.22 -0.34 0.00 0.00 178.44 178.20 2qux h TYR 103 N -0.16 -1.57 -0.83 1.25 3.20 -1.27 -2.09 116.97 115.50 2qux h TYR 103 Ca 0.02 0.05 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2qux h TYR 103 Cb 0.35 0.68 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 2qux h TYR 103 CO 0.03 -0.58 0.55 -0.44 -1.64 0.00 0.00 178.16 176.08 2qux h ASP 104 N -0.69 0.87 0.79 -2.11 3.32 -0.41 -0.34 116.42 117.86 2qux h ASP 104 Ca 0.01 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2qux h ASP 104 Cb 0.73 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2qux h ASP 104 CO -0.35 0.59 -0.71 -0.07 -1.72 0.00 0.00 179.24 176.98 2qux h LEU 105 N 1.01 0.00 0.06 1.55 3.38 -0.98 -2.60 115.31 117.72 2qux h LEU 105 Ca 0.34 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.06 2qux h LEU 105 Cb 0.07 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.85 2qux h LEU 105 CO -0.10 0.71 -0.99 0.74 0.09 0.00 0.00 178.44 178.89 2qux h THR 106 N 0.00 1.34 -0.55 0.22 2.02 -0.98 -0.84 112.91 114.12 2qux h THR 106 Ca -0.01 -2.31 0.10 0.00 0.77 0.00 0.00 66.41 64.97 2qux h THR 106 Cb 1.30 2.62 -0.08 0.00 -1.74 0.00 0.00 68.15 70.25 2qux h THR 106 CO 0.09 0.69 0.10 0.50 0.37 0.00 0.00 175.52 177.28 2qux h LYS 107 N 0.16 0.23 -0.38 6.66 3.64 -1.13 -1.11 116.57 124.65 2qux h LYS 107 Ca -0.14 -0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 2qux h LYS 107 Cb 1.68 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 2qux h LYS 107 CO 0.19 0.15 -0.31 1.03 -2.27 0.00 0.00 179.45 178.25 2qux h SER 108 N 0.24 0.92 -0.20 4.20 0.87 -1.52 -2.46 113.55 115.61 2qux h SER 108 Ca 0.28 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 60.45 2qux h SER 108 Cb 0.40 -0.26 -0.06 0.00 -0.44 0.00 0.00 62.40 62.05 2qux h SER 108 CO -0.37 1.18 -0.16 0.25 -0.53 0.00 0.00 176.83 177.19 2qux h LEU 109 N 0.68 -0.52 -0.74 2.23 5.85 -0.82 -2.72 115.31 119.28 2qux h LEU 109 Ca 0.07 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 2qux h LEU 109 Cb 0.89 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2qux h LEU 109 CO 0.08 -0.20 -0.15 0.58 -0.34 0.00 0.00 178.44 178.41 2qux h VAL 110 N -0.17 1.26 0.00 1.05 2.07 -1.25 -2.52 116.25 116.70 2qux h VAL 110 Ca 0.12 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2qux h VAL 110 Cb 0.35 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2qux h VAL 110 CO -0.30 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.71 2qux h ALA 111 N 1.11 1.00 -2.69 1.67 0.00 -1.30 -3.42 119.26 115.64 2qux h ALA 111 Ca 0.11 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.52 2qux h ALA 111 Cb 0.65 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.50 2qux h ALA 111 CO 0.05 0.00 0.48 0.95 0.00 0.00 0.00 179.25 180.73 2qux s THR 112 N -3.78 3.14 0.35 0.00 -4.23 -0.95 -4.93 115.64 105.25 2qux s THR 112 Ca -0.02 0.88 0.17 0.00 -1.18 0.00 0.00 61.69 61.53 2qux s THR 112 Cb 0.10 -3.45 0.15 0.00 1.34 0.00 0.00 72.50 70.63 2qux s THR 112 CO 0.35 0.00 1.88 0.77 -0.54 0.00 0.00 174.62 177.09 2qux h SER 113 N 2.17 0.00 -0.56 3.99 4.64 -1.89 -2.40 113.55 119.50 2qux h SER 113 Ca -0.49 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.88 2qux h SER 113 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 2qux h SER 113 CO 0.61 0.30 0.29 1.56 -0.87 0.00 0.00 176.83 178.72 2qux h GLN 114 N 0.00 0.54 -0.13 4.77 4.20 -1.92 -0.60 115.11 121.97 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 0.60 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2qux h GLN 114 CO 0.04 0.35 -0.59 0.28 -0.67 0.00 0.00 178.83 178.24 2qux h VAL 115 N 0.55 1.35 -0.72 -0.54 2.07 -1.68 -1.98 116.25 115.30 2qux h VAL 115 Ca 0.25 -1.91 0.02 0.00 0.82 0.00 0.00 66.70 65.88 2qux h VAL 115 Cb 0.16 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2qux h VAL 115 CO -0.17 0.58 0.47 -0.08 0.02 0.00 0.00 177.57 178.38 2qux h GLU 116 N 0.31 0.91 -0.30 1.57 4.81 -1.29 -2.10 114.58 118.49 2qux h GLU 116 Ca -0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 2qux h GLU 116 Cb 1.13 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 2qux h GLU 116 CO 0.10 0.60 -0.19 -0.44 -0.73 0.00 0.00 179.01 178.36 2qux h ASP 117 N 0.94 0.54 -0.45 1.04 3.32 -0.94 -1.13 116.42 119.74 2qux h ASP 117 Ca 0.27 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.03 2qux h ASP 117 Cb -0.06 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 2qux h ASP 117 CO -0.08 0.74 -0.21 0.25 -1.72 0.00 0.00 179.24 178.22 2qux h LEU 118 N 0.50 0.97 0.13 1.55 5.85 -1.18 -1.17 115.31 121.96 2qux h LEU 118 Ca 0.08 -0.40 -0.26 0.00 0.84 0.00 0.00 57.88 58.14 2qux h LEU 118 Cb 0.60 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.37 2qux h LEU 118 CO 0.04 1.15 -1.27 0.58 -0.34 0.00 0.00 178.44 178.60 2qux h VAL 119 N 0.78 1.17 0.06 1.05 2.07 -1.33 -2.44 116.25 117.61 2qux h VAL 119 Ca 0.10 -2.46 -0.26 0.00 0.82 0.00 0.00 66.70 64.90 2qux h VAL 119 Cb 0.79 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 2qux h VAL 119 CO 0.07 0.72 -1.31 0.58 0.02 0.00 0.00 177.57 177.64 2qux h VAL 120 N -0.28 1.38 0.00 2.57 2.07 -1.34 -3.40 116.25 117.24 2qux h VAL 120 Ca -0.26 -3.05 0.00 0.00 0.82 0.00 0.00 66.70 64.21 2qux h VAL 120 Cb 1.77 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 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 -3.38 1.20 -2.26 0.57 3.02 -0.50 -5.02 115.26 108.89 2qux n ASN 121 Ca -0.09 -1.59 -0.11 0.00 -0.03 0.00 0.00 54.58 52.75 2qux n ASN 121 Cb 1.01 0.00 -0.01 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 -0.30 -0.98 -4.68 3.41 4.77 -0.86 -4.92 117.00 113.44 2qux n LEU 122 Ca 0.00 0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.79 2qux n LEU 122 Cb 0.35 -1.97 -0.02 0.00 -2.33 0.00 0.00 43.42 39.44 2qux n LEU 122 CO 0.00 -0.19 0.85 -0.69 -1.33 0.00 0.00 177.39 176.03 2qux s VAL 123 N -2.44 4.67 0.51 4.08 1.01 -0.86 -4.91 120.40 122.46 2qux s VAL 123 Ca 0.00 1.96 -0.21 0.00 0.00 0.00 0.00 61.98 63.74 2qux s VAL 123 Cb 0.00 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 2qux s VAL 123 CO 0.00 -0.04 0.80 -2.65 0.00 0.00 0.00 175.10 173.21 2qux n PRO 124 N 5.37 0.88 -1.45 2.72 -0.02 -1.26 -3.47 135.00 137.78 2qux n PRO 124 Ca 0.10 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 2qux n PRO 124 Cb 0.48 -1.91 0.08 0.00 -0.02 0.00 0.00 33.50 32.13 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 -0.26 3.20 0.00 2.45 1.43 -1.26 -4.93 118.68 119.31 2qux s LEU 125 Ca 0.68 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 2qux s LEU 125 Cb -0.49 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.18 2qux s LEU 125 CO 0.54 -1.96 0.00 0.61 0.23 0.00 0.00 176.35 175.77 2qux n GLY 126 N -0.68 1.69 0.00 -3.19 0.00 -1.26 -5.20 105.19 96.54 2qux n GLY 126 Ca 0.10 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2qux n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86