#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qux n MET 0 N 0.00 0.66 -2.38 4.33 2.00 -1.26 -4.95 117.12 115.53 2qux n MET 0 Ca 0.00 0.18 -0.36 0.00 0.00 0.00 0.00 57.70 57.52 2qux n MET 0 Cb 0.00 -1.68 -0.02 0.00 0.00 0.00 0.00 33.22 31.52 2qux n MET 0 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2qux s SER 1 N -5.99 6.30 0.38 7.83 0.01 -1.26 -5.02 113.70 115.95 2qux s SER 1 Ca -0.10 2.17 -0.25 0.00 1.31 0.00 0.00 55.95 59.08 2qux s SER 1 Cb 0.07 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 2qux s SER 1 CO 0.81 -0.82 1.05 -0.54 0.41 0.00 0.00 173.24 174.15 2qux s LYS 2 N -2.78 4.24 0.19 12.44 1.02 -1.26 -4.94 119.74 128.66 2qux s LYS 2 Ca 0.64 1.55 -0.03 0.00 0.02 0.00 0.00 55.97 58.15 2qux s LYS 2 Cb -0.25 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.39 2qux s LYS 2 CO 0.30 -0.08 0.17 0.95 -0.92 0.00 0.00 175.35 175.77 2qux s THR 3 N -1.58 0.02 -0.06 2.17 -4.23 -1.26 -1.45 115.64 109.24 2qux s THR 3 Ca 0.56 -1.88 -0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2qux s THR 3 Cb -0.23 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.27 2qux s THR 3 CO 0.29 -0.08 -0.01 -0.51 -0.54 0.00 0.00 174.62 173.77 2qux s ILE 4 N -4.12 0.45 -0.25 2.99 2.07 -0.64 -4.99 121.20 116.71 2qux s ILE 4 Ca 0.34 0.03 -0.09 0.00 -1.41 0.00 0.00 60.65 59.52 2qux s ILE 4 Cb 0.06 -0.56 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 2qux s ILE 4 CO 0.10 0.25 0.13 -0.69 -1.91 0.00 0.00 174.94 172.82 2qux s VAL 5 N 1.64 4.91 0.32 4.00 1.01 -1.26 -1.54 120.40 129.47 2qux s VAL 5 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.08 2qux s VAL 5 Cb -0.13 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2qux s VAL 5 CO -0.04 0.31 0.32 -0.76 0.00 0.00 0.00 175.10 174.94 2qux s LEU 6 N 1.48 3.75 -0.28 3.92 1.43 -0.40 -4.95 118.68 123.64 2qux s LEU 6 Ca 0.06 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.63 2qux s LEU 6 Cb -0.15 -2.39 0.08 0.00 0.03 0.00 0.00 46.19 43.76 2qux s LEU 6 CO 0.07 -0.32 0.69 -0.94 0.23 0.00 0.00 176.35 176.08 2qux s SER 7 N -4.02 -0.90 -0.64 2.29 1.04 -1.26 0.55 113.70 110.76 2qux s SER 7 Ca 0.40 1.49 -0.08 0.00 0.48 0.00 0.00 55.95 58.25 2qux s SER 7 Cb -0.07 1.39 0.17 0.00 0.10 0.00 0.00 66.02 67.60 2qux s SER 7 CO 0.28 -0.24 0.51 -0.69 0.98 0.00 0.00 173.24 174.07 2qux s VAL 8 N 1.41 4.41 0.00 5.02 1.01 -0.19 -4.99 120.40 127.07 2qux s VAL 8 Ca -0.08 -2.48 0.00 0.00 0.00 0.00 0.00 61.98 59.41 2qux s VAL 8 Cb -0.05 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.50 2qux s VAL 8 CO -0.16 -0.89 0.00 0.61 0.00 0.00 0.00 175.10 174.66 2qux n GLY 9 N 4.03 1.69 0.02 4.51 0.00 -1.26 -2.68 105.19 111.50 2qux n GLY 9 Ca 0.05 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 12.76 0.06 -2.31 1.61 1.02 -1.26 -4.76 120.64 127.75 2qux n GLU 10 Ca 0.00 0.03 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 2qux n GLU 10 Cb 0.00 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 2qux n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qux s ALA 11 N -3.03 2.90 -0.16 0.62 0.00 -1.09 -5.01 121.76 116.00 2qux s ALA 11 Ca 0.12 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 2qux s ALA 11 Cb 0.17 -4.02 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 2qux s ALA 11 CO 0.61 -2.67 0.27 -0.08 0.00 0.00 0.00 175.76 173.89 2qux s THR 12 N 5.98 5.32 -0.39 0.00 -1.32 -1.26 -1.02 115.64 122.95 2qux s THR 12 Ca 0.61 0.50 0.04 0.00 -1.21 0.00 0.00 61.69 61.63 2qux s THR 12 Cb -0.14 -3.61 0.11 0.00 -1.51 0.00 0.00 72.50 67.36 2qux s THR 12 CO 0.30 0.41 0.11 -0.13 -2.21 0.00 0.00 174.62 173.10 2qux s ARG 13 N 0.33 1.58 -0.14 7.08 0.52 0.19 -4.97 118.95 123.54 2qux s ARG 13 Ca 0.16 -2.05 -0.24 0.00 -0.52 0.00 0.00 55.73 53.08 2qux s ARG 13 Cb -0.13 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 2qux s ARG 13 CO 0.03 -0.99 0.75 0.99 0.02 0.00 0.00 175.30 176.10 2qux s THR 14 N 0.61 4.96 -0.20 0.02 2.01 -1.26 -1.28 115.64 120.49 2qux s THR 14 Ca 0.13 1.47 -0.04 0.00 0.31 0.00 0.00 61.69 63.56 2qux s THR 14 Cb -0.21 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.22 2qux s THR 14 CO -0.06 0.11 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.18 2qux s LEU 15 N 1.68 3.00 -0.15 4.42 1.02 -0.59 -4.40 118.68 123.67 2qux s LEU 15 Ca 0.36 -0.32 -0.07 0.00 0.02 0.00 0.00 54.13 54.12 2qux s LEU 15 Cb -0.17 -1.76 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 2qux s LEU 15 CO 0.14 0.03 0.10 -0.89 0.02 0.00 0.00 176.35 175.74 2qux s THR 16 N 1.20 5.13 0.12 5.49 2.01 0.83 -1.62 115.64 128.80 2qux s THR 16 Ca 0.03 0.08 -0.31 0.00 0.31 0.00 0.00 61.69 61.79 2qux s THR 16 Cb -0.14 -3.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.99 2qux s THR 16 CO -0.01 0.53 1.74 -0.70 -0.69 0.00 0.00 174.62 175.49 2qux s GLU 17 N -0.27 4.16 0.00 4.92 2.12 -0.53 -0.41 118.70 128.69 2qux s GLU 17 Ca 0.10 2.48 0.00 0.00 0.36 0.00 0.00 54.97 57.91 2qux s GLU 17 Cb -0.12 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.76 2qux s GLU 17 CO 0.01 -0.78 0.51 0.44 -0.54 0.00 0.00 175.26 174.90 2qux n ILE 18 N 4.60 0.09 -3.63 -3.70 -5.35 -0.37 -4.86 119.36 106.14 2qux n ILE 18 Ca 0.17 -0.50 -0.11 0.00 -0.27 0.00 0.00 62.75 62.03 2qux n ILE 18 Cb 0.39 1.03 -0.07 0.00 -1.74 0.00 0.00 39.64 39.25 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 -0.09 0.66 -0.35 6.28 0.74 -1.14 -4.94 119.66 120.82 2qux s GLN 19 Ca 0.00 0.78 0.04 0.00 0.05 0.00 0.00 55.36 56.23 2qux s GLN 19 Cb 0.00 0.32 0.16 0.00 1.10 0.00 0.00 33.01 34.59 2qux s GLN 19 CO 0.00 -0.08 0.45 0.45 -0.55 0.00 0.00 175.29 175.56 2qux s SER 20 N 0.30 0.24 0.53 6.67 0.15 -1.26 -1.67 113.70 118.67 2qux s SER 20 Ca 0.02 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.74 2qux s SER 20 Cb -0.05 1.09 0.01 0.00 -1.71 0.00 0.00 66.02 65.36 2qux s SER 20 CO -0.03 -0.28 0.05 0.42 1.20 0.00 0.00 173.24 174.61 2qux s THR 21 N 1.96 1.07 0.39 6.45 -4.23 -0.65 -5.02 115.64 115.61 2qux s THR 21 Ca 0.14 -1.93 0.26 0.00 -1.18 0.00 0.00 61.69 58.97 2qux s THR 21 Cb -0.12 -2.00 0.28 0.00 1.34 0.00 0.00 72.50 72.00 2qux s THR 21 CO -0.15 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 175.97 2qux h ALA 22 N 1.19 1.28 -0.04 3.99 0.00 -2.01 -3.24 119.26 120.43 2qux h ALA 22 Ca -0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2qux h ALA 22 Cb 1.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qux h ALA 22 CO 0.71 0.18 -0.03 0.22 0.00 0.00 0.00 179.25 180.33 2qux h ASP 23 N 0.00 0.10 -5.27 0.00 1.82 -1.95 -3.45 116.42 107.66 2qux h ASP 23 Ca -0.00 -0.43 0.23 0.00 -0.39 0.00 0.00 57.03 56.43 2qux h ASP 23 Cb 0.39 -0.03 -0.12 0.00 0.68 0.00 0.00 39.33 40.25 2qux h ASP 23 CO 0.02 0.51 0.64 0.00 -1.61 0.00 0.00 179.24 178.80 2qux s ARG 24 N -4.47 0.77 0.01 0.28 1.70 -1.22 -4.75 118.95 111.26 2qux s ARG 24 Ca -0.15 -0.40 0.07 0.00 -0.47 0.00 0.00 55.73 54.78 2qux s ARG 24 Cb 0.03 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 2qux s ARG 24 CO 0.69 -0.35 -0.21 -0.65 -1.08 0.00 0.00 175.30 173.70 2qux s GLN 25 N -2.87 2.10 -0.04 3.89 -0.21 0.04 -1.63 119.66 120.94 2qux s GLN 25 Ca 0.12 -0.95 0.05 0.00 0.02 0.00 0.00 55.36 54.60 2qux s GLN 25 Cb 0.01 -2.13 -0.01 0.00 1.00 0.00 0.00 33.01 31.88 2qux s GLN 25 CO -0.02 0.55 -0.19 0.42 -2.12 0.00 0.00 175.29 173.93 2qux s ILE 26 N -0.78 1.58 -0.03 1.08 1.01 -0.67 -1.07 121.20 122.31 2qux s ILE 26 Ca 0.12 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.99 2qux s ILE 26 Cb -0.10 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 2qux s ILE 26 CO 0.02 0.45 -0.13 -0.36 0.00 0.00 0.00 174.94 174.91 2qux s PHE 27 N -0.16 1.35 0.01 3.97 0.40 0.22 -1.23 117.98 122.54 2qux s PHE 27 Ca 0.00 -0.37 -0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2qux s PHE 27 Cb -0.11 -0.93 -0.01 0.00 0.51 0.00 0.00 43.02 42.48 2qux s PHE 27 CO 0.01 -0.13 -0.00 -2.00 0.70 0.00 0.00 175.22 173.80 2qux s GLU 28 N 0.11 0.20 -0.30 0.44 2.12 0.45 0.01 118.70 121.74 2qux s GLU 28 Ca -0.03 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 54.65 2qux s GLU 28 Cb -0.10 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.37 2qux s GLU 28 CO 0.01 -0.03 1.16 -2.00 -0.54 0.00 0.00 175.26 173.86 2qux s GLU 29 N -0.88 4.04 -1.48 4.30 2.12 -0.38 -0.12 118.70 126.30 2qux s GLU 29 Ca -0.10 1.18 -0.13 0.00 0.36 0.00 0.00 54.97 56.29 2qux s GLU 29 Cb -0.06 -3.78 0.02 0.00 0.26 0.00 0.00 34.13 30.57 2qux s GLU 29 CO -0.00 -0.94 2.37 1.63 -0.54 0.00 0.00 175.26 177.77 2qux n LYS 30 N 6.97 3.10 -3.74 4.30 5.02 -1.26 -4.60 118.16 127.94 2qux n LYS 30 Ca 0.13 -2.58 -0.14 0.00 -2.02 0.00 0.00 58.31 53.70 2qux n LYS 30 Cb 0.47 -3.16 -0.09 0.00 -0.02 0.00 0.00 35.03 32.23 2qux n LYS 30 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qux s VAL 31 N 2.76 0.04 0.00 -0.18 0.11 -1.26 -5.14 120.40 116.73 2qux s VAL 31 Ca 0.52 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.22 2qux s VAL 31 Cb 0.15 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 2qux s VAL 31 CO -0.08 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 2qux n GLY 32 N 1.58 -0.96 3.46 6.54 0.00 -1.26 -4.82 105.19 109.74 2qux n GLY 32 Ca -0.20 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2qux n GLY 32 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2qux n PRO 33 N 0.00 0.62 0.23 1.61 -0.02 -1.26 -4.89 135.00 131.29 2qux n PRO 33 Ca 0.00 0.22 0.10 0.00 -2.02 0.00 0.00 63.50 61.80 2qux n PRO 33 Cb 0.00 -1.54 0.57 0.00 -0.02 0.00 0.00 33.50 32.51 2qux n PRO 33 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qux h LEU 34 N 0.85 0.00 -9.72 2.45 5.85 -1.99 -3.41 115.31 109.35 2qux h LEU 34 Ca -0.40 0.00 -0.60 0.00 0.84 0.00 0.00 57.88 57.72 2qux h LEU 34 Cb 1.40 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.38 2qux h LEU 34 CO 0.52 0.21 -0.19 0.68 -0.34 0.00 0.00 178.44 179.32 2qux s VAL 35 N -4.02 5.00 -1.62 1.05 -7.23 -1.26 -4.40 120.40 107.92 2qux s VAL 35 Ca -0.02 0.80 -0.01 0.00 -1.81 0.00 0.00 61.98 60.95 2qux s VAL 35 Cb 0.12 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.35 2qux s VAL 35 CO 0.63 0.50 0.08 0.61 -0.31 0.00 0.00 175.10 176.61 2qux n GLY 36 N 1.56 -0.43 3.77 2.32 0.00 -1.26 -4.93 105.19 106.22 2qux n GLY 36 Ca -0.12 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 -5.06 3.53 0.13 1.61 0.52 -1.26 -4.15 118.95 114.27 2qux s ARG 37 Ca 0.04 1.66 -0.32 0.00 -0.52 0.00 0.00 55.73 56.59 2qux s ARG 37 Cb -0.02 -2.16 -0.11 0.00 0.52 0.00 0.00 34.95 33.18 2qux s ARG 37 CO 0.05 -0.71 1.79 -0.11 0.02 0.00 0.00 175.30 176.34 2qux n LEU 38 N -0.98 3.88 -4.01 2.53 7.94 -1.26 -4.78 117.00 120.32 2qux n LEU 38 Ca 0.10 1.01 -0.20 0.00 -1.11 0.00 0.00 56.01 55.81 2qux n LEU 38 Cb 0.50 -1.52 -0.15 0.00 0.53 0.00 0.00 43.42 42.77 2qux n LEU 38 CO 0.44 0.10 -0.44 -0.60 -1.11 0.00 0.00 177.39 175.79 2qux s ARG 39 N 2.31 0.88 -0.10 1.96 3.52 -1.00 -1.25 118.95 125.27 2qux s ARG 39 Ca 0.81 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 56.13 2qux s ARG 39 Cb -0.53 -0.83 0.01 0.00 -1.56 0.00 0.00 34.95 32.04 2qux s ARG 39 CO 0.37 0.14 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.66 2qux s LEU 40 N 0.06 1.81 -0.07 -0.88 2.96 0.10 -1.13 118.68 121.53 2qux s LEU 40 Ca -0.01 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.49 2qux s LEU 40 Cb -0.07 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.47 2qux s LEU 40 CO 0.00 0.05 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.01 2qux s THR 41 N 0.80 2.69 0.01 3.68 2.01 -0.35 -0.61 115.64 123.88 2qux s THR 41 Ca -0.10 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.09 2qux s THR 41 Cb -0.16 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 2qux s THR 41 CO 0.01 0.57 -0.08 0.00 -0.69 0.00 0.00 174.62 174.43 2qux s ALA 42 N -0.28 0.61 0.06 7.40 0.00 -0.23 -0.43 121.76 128.89 2qux s ALA 42 Ca 0.01 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 2qux s ALA 42 Cb -0.13 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.91 2qux s ALA 42 CO 0.03 0.10 0.24 -1.54 0.00 0.00 0.00 175.76 174.59 2qux s SER 43 N -0.66 -0.00 -0.13 0.00 1.04 0.53 -0.78 113.70 113.69 2qux s SER 43 Ca -0.01 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.02 2qux s SER 43 Cb -0.05 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.43 2qux s SER 43 CO 0.00 -0.65 -0.14 -0.22 0.98 0.00 0.00 173.24 173.21 2qux s LEU 44 N -2.39 1.63 -0.00 2.42 2.96 -1.26 -1.33 118.68 120.70 2qux s LEU 44 Ca -0.01 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.52 2qux s LEU 44 Cb 0.01 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 2qux s LEU 44 CO -0.07 -0.03 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.63 2qux s ARG 45 N 1.30 1.36 -0.01 1.98 1.81 -0.33 -4.99 118.95 120.07 2qux s ARG 45 Ca -0.00 -0.66 -0.05 0.00 -1.72 0.00 0.00 55.73 53.30 2qux s ARG 45 Cb -0.14 -1.34 -0.04 0.00 -0.45 0.00 0.00 34.95 32.98 2qux s ARG 45 CO -0.06 0.36 0.22 -1.14 -0.68 0.00 0.00 175.30 174.00 2qux s GLN 46 N -0.54 3.50 0.89 3.54 0.74 -1.26 -0.03 119.66 126.50 2qux s GLN 46 Ca 0.06 -0.20 -0.12 0.00 0.05 0.00 0.00 55.36 55.16 2qux s GLN 46 Cb -0.07 -3.09 0.13 0.00 1.10 0.00 0.00 33.01 31.07 2qux s GLN 46 CO -0.00 0.67 1.10 0.54 -0.55 0.00 0.00 175.29 177.05 2qux s ASN 47 N -1.76 3.55 0.23 6.67 4.22 -0.68 -4.93 114.94 122.23 2qux s ASN 47 Ca 0.26 1.34 -0.06 0.00 -2.14 0.00 0.00 52.86 52.26 2qux s ASN 47 Cb -0.13 -2.02 0.21 0.00 1.28 0.00 0.00 41.25 40.60 2qux s ASN 47 CO 0.16 -2.57 1.76 1.23 -2.04 0.00 0.00 177.10 175.65 2qux h GLY 48 N -1.50 1.13 2.00 0.45 0.00 -1.99 -1.78 103.07 101.38 2qux h GLY 48 Ca -0.50 -0.68 0.00 0.00 0.00 0.00 0.00 47.33 46.15 2qux h GLY 48 CO 0.57 0.64 0.00 0.00 0.00 0.00 0.00 176.54 177.75 2qux h ALA 49 N 1.18 1.00 -1.91 3.60 0.00 -1.96 -3.47 119.26 117.70 2qux h ALA 49 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.83 2qux h ALA 49 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2qux h ALA 49 CO -0.00 0.00 -0.36 1.63 0.00 0.00 0.00 179.25 180.51 2qux n LYS 50 N -2.89 -1.16 0.00 0.00 5.02 -0.67 -4.92 118.16 113.54 2qux n LYS 50 Ca 0.00 0.76 0.10 0.00 -2.02 0.00 0.00 58.31 57.15 2qux n LYS 50 Cb 0.25 -5.05 -0.07 0.00 -0.02 0.00 0.00 35.03 30.14 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 -3.82 0.01 -3.84 -0.18 -2.24 -1.26 -4.86 114.28 98.09 2qux n THR 51 Ca -0.17 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.47 2qux n THR 51 Cb 0.61 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.58 2qux n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qux s ALA 52 N -3.04 -0.40 0.07 6.98 0.00 -1.26 -1.19 121.76 122.92 2qux s ALA 52 Ca 0.07 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.54 2qux s ALA 52 Cb 0.16 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 24.03 2qux s ALA 52 CO 0.85 -0.67 -0.19 0.71 0.00 0.00 0.00 175.76 176.46 2qux s TYR 53 N -3.91 1.67 -0.17 0.00 2.02 0.42 -1.69 117.35 115.69 2qux s TYR 53 Ca 0.11 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2qux s TYR 53 Cb 0.02 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 2qux s TYR 53 CO -0.04 0.13 -0.18 1.03 -1.57 0.00 0.00 175.55 174.91 2qux s ARG 54 N -1.51 3.07 -0.19 -0.62 1.81 0.95 -1.58 118.95 120.88 2qux s ARG 54 Ca 0.05 -0.80 -0.11 0.00 -1.72 0.00 0.00 55.73 53.15 2qux s ARG 54 Cb -0.09 -2.60 -0.05 0.00 -0.45 0.00 0.00 34.95 31.76 2qux s ARG 54 CO 0.03 -0.14 0.18 0.08 -0.68 0.00 0.00 175.30 174.76 2qux s VAL 55 N 1.16 5.38 -0.13 3.52 1.01 -0.45 -1.19 120.40 129.69 2qux s VAL 55 Ca 0.01 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2qux s VAL 55 Cb -0.14 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.73 2qux s VAL 55 CO -0.08 0.42 -0.22 0.20 0.00 0.00 0.00 175.10 175.42 2qux s ASN 56 N 0.42 3.15 -0.03 3.32 -0.87 -0.44 -0.96 114.94 119.53 2qux s ASN 56 Ca 0.10 -0.58 0.05 0.00 -1.57 0.00 0.00 52.86 50.86 2qux s ASN 56 Cb -0.12 -1.45 -0.01 0.00 -0.02 0.00 0.00 41.25 39.66 2qux s ASN 56 CO -0.00 0.10 -0.19 -0.76 -2.57 0.00 0.00 177.10 173.68 2qux s LEU 57 N 0.69 1.98 -0.05 0.60 1.43 -1.02 -0.35 118.68 121.97 2qux s LEU 57 Ca -0.10 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2qux s LEU 57 Cb -0.16 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.08 2qux s LEU 57 CO 0.01 0.20 0.07 -0.75 0.23 0.00 0.00 176.35 176.11 2qux s LYS 58 N -0.19 -0.05 -0.24 1.70 2.20 0.42 0.32 119.74 123.90 2qux s LYS 58 Ca 0.01 0.38 -0.06 0.00 -0.36 0.00 0.00 55.97 55.94 2qux s LYS 58 Cb -0.10 -0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 35.77 2qux s LYS 58 CO 0.01 -0.30 0.04 -1.17 -0.36 0.00 0.00 175.35 173.57 2qux s LEU 59 N 2.02 3.35 -0.18 5.43 2.96 -0.38 -1.22 118.68 130.66 2qux s LEU 59 Ca 0.02 -0.22 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 2qux s LEU 59 Cb -0.12 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2qux s LEU 59 CO -0.04 -0.01 -0.07 -1.81 -1.32 0.00 0.00 176.35 173.10 2qux s ASP 60 N 1.46 4.27 -0.30 3.68 1.01 -0.29 -1.06 116.67 125.45 2qux s ASP 60 Ca 0.05 -0.33 0.01 0.00 0.71 0.00 0.00 52.55 53.00 2qux s ASP 60 Cb -0.15 -1.70 0.07 0.00 1.01 0.00 0.00 42.92 42.15 2qux s ASP 60 CO 0.02 0.07 -0.02 -1.58 0.21 0.00 0.00 175.17 173.88 2qux s GLN 61 N 0.91 2.16 0.36 8.23 0.74 -0.15 -2.37 119.66 129.55 2qux s GLN 61 Ca -0.01 -1.44 -0.16 0.00 0.05 0.00 0.00 55.36 53.79 2qux s GLN 61 Cb -0.15 -3.10 -0.09 0.00 1.10 0.00 0.00 33.01 30.77 2qux s GLN 61 CO 0.01 -0.69 0.79 0.00 -0.55 0.00 0.00 175.29 174.85 2qux s ALA 62 N 1.12 3.25 -0.41 1.58 0.00 -1.26 -1.59 121.76 124.45 2qux s ALA 62 Ca -0.03 0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 2qux s ALA 62 Cb -0.20 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.08 2qux s ALA 62 CO -0.04 0.24 0.37 0.34 0.00 0.00 0.00 175.76 176.67 2qux s ASP 63 N -2.37 6.15 -0.40 0.00 2.15 0.10 -4.97 116.67 117.34 2qux s ASP 63 Ca 0.56 -0.75 -0.12 0.00 0.43 0.00 0.00 52.55 52.67 2qux s ASP 63 Cb -0.10 -2.19 0.04 0.00 -0.30 0.00 0.00 42.92 40.37 2qux s ASP 63 CO 0.18 -0.51 0.24 -0.69 -0.17 0.00 0.00 175.17 174.23 2qux s VAL 64 N 1.92 4.65 -0.13 1.11 1.01 -1.26 0.29 120.40 128.00 2qux s VAL 64 Ca 0.09 -0.95 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 2qux s VAL 64 Cb -0.18 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2qux s VAL 64 CO 0.12 -0.32 0.80 -0.69 0.00 0.00 0.00 175.10 175.01 2qux s VAL 65 N 1.55 4.93 -0.53 2.92 1.01 -0.65 -4.92 120.40 124.72 2qux s VAL 65 Ca 0.03 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.65 2qux s VAL 65 Cb -0.20 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.21 2qux s VAL 65 CO 0.06 0.10 0.36 -0.62 0.00 0.00 0.00 175.10 175.01 2qux s ASP 66 N 1.05 3.41 -0.79 3.32 -1.08 -1.26 -1.19 116.67 120.12 2qux s ASP 66 Ca 0.39 -3.20 0.02 0.00 -0.52 0.00 0.00 52.55 49.24 2qux s ASP 66 Cb -0.17 -1.08 0.31 0.00 -1.46 0.00 0.00 42.92 40.52 2qux s ASP 66 CO 0.15 -0.17 1.20 -1.54 0.52 0.00 0.00 175.17 175.33 2qux n SER 67 N 2.77 5.34 0.00 -0.34 3.41 -1.26 -4.88 113.62 118.66 2qux n SER 67 Ca 0.19 -3.58 0.00 0.00 -0.26 0.00 0.00 58.87 55.22 2qux n SER 67 Cb 0.39 -0.86 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 2qux n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qux n GLY 68 N 0.37 1.69 3.29 5.00 0.00 -1.26 -5.02 105.19 109.26 2qux n GLY 68 Ca 0.34 -0.49 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 2.08 0.29 0.99 1.43 -1.26 -5.13 118.68 117.08 2qux s LEU 75 Ca 0.00 -0.47 -0.29 0.00 -1.03 0.00 0.00 54.13 52.34 2qux s LEU 75 Cb 0.00 -1.23 -0.10 0.00 0.03 0.00 0.00 46.19 44.90 2qux s LEU 75 CO 0.00 0.28 1.21 -2.16 0.23 0.00 0.00 176.35 175.91 2qux s PRO 76 N -0.73 4.49 -0.01 1.29 0.04 -1.26 -4.73 135.00 134.09 2qux s PRO 76 Ca 0.10 2.00 0.03 0.00 0.04 0.00 0.00 61.00 63.17 2qux s PRO 76 Cb -0.09 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2qux s PRO 76 CO -0.00 -0.01 -0.08 0.21 0.04 0.00 0.00 177.00 177.16 2qux s LYS 77 N -1.45 0.68 -0.26 4.56 2.36 -0.33 -4.99 119.74 120.30 2qux s LYS 77 Ca 0.48 -0.31 -0.26 0.00 -2.55 0.00 0.00 55.97 53.33 2qux s LYS 77 Cb -0.36 -0.66 0.00 0.00 -1.05 0.00 0.00 37.83 35.77 2qux s LYS 77 CO 0.46 0.18 0.88 0.08 1.55 0.00 0.00 175.35 178.50 2qux s VAL 78 N -0.21 4.76 -0.00 4.02 1.01 -1.26 -1.63 120.40 127.08 2qux s VAL 78 Ca 0.03 1.58 -0.17 0.00 0.00 0.00 0.00 61.98 63.42 2qux s VAL 78 Cb -0.03 -4.19 -0.34 0.00 0.00 0.00 0.00 36.38 31.82 2qux s VAL 78 CO -0.00 -0.18 0.92 -0.09 0.00 0.00 0.00 175.10 175.75 2qux h ARG 79 N 7.79 0.45 -2.14 2.72 2.43 -0.54 -3.49 114.38 121.60 2qux h ARG 79 Ca -0.22 -0.77 0.07 0.00 -0.81 0.00 0.00 59.98 58.24 2qux h ARG 79 Cb 1.08 0.29 -0.17 0.00 -0.42 0.00 0.00 29.97 30.75 2qux h ARG 79 CO 0.91 1.37 0.45 1.52 -1.51 0.00 0.00 179.97 182.71 2qux s TYR 80 N -2.54 -0.40 -0.12 2.20 -0.85 -1.24 -5.01 117.35 109.38 2qux s TYR 80 Ca -0.11 0.43 0.02 0.00 -0.52 0.00 0.00 57.07 56.89 2qux s TYR 80 Cb 0.03 0.50 -0.00 0.00 0.38 0.00 0.00 41.96 42.87 2qux s TYR 80 CO 0.90 -0.53 -0.20 0.99 -1.52 0.00 0.00 175.55 175.19 2qux s THR 81 N -2.47 2.42 -0.07 -3.49 2.01 -1.26 0.01 115.64 112.79 2qux s THR 81 Ca 0.01 -0.88 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 2qux s THR 81 Cb -0.01 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2qux s THR 81 CO -0.05 0.54 0.18 -1.10 -0.69 0.00 0.00 174.62 173.50 2qux s GLN 82 N 0.44 3.47 -0.01 4.92 -0.21 -0.62 -4.97 119.66 122.68 2qux s GLN 82 Ca -0.14 -0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.10 2qux s GLN 82 Cb -0.17 -3.15 -0.00 0.00 1.00 0.00 0.00 33.01 30.69 2qux s GLN 82 CO 0.06 0.73 -0.08 0.08 -2.12 0.00 0.00 175.29 173.96 2qux s VAL 83 N -1.16 0.62 -0.25 1.09 1.01 -1.26 -0.97 120.40 119.48 2qux s VAL 83 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2qux s VAL 83 Cb -0.12 -0.54 0.07 0.00 0.00 0.00 0.00 36.38 35.79 2qux s VAL 83 CO 0.10 0.19 -0.00 0.86 0.00 0.00 0.00 175.10 176.25 2qux s TRP 84 N -0.01 2.20 0.27 5.22 -0.11 -0.23 -4.99 118.94 121.28 2qux s TRP 84 Ca 0.01 -1.74 0.09 0.00 1.22 0.00 0.00 56.10 55.68 2qux s TRP 84 Cb -0.05 -1.66 -0.04 0.00 -1.50 0.00 0.00 33.47 30.22 2qux s TRP 84 CO -0.00 -0.79 0.03 -1.54 -4.62 0.00 0.00 176.95 170.03 2qux s SER 85 N 1.46 4.69 -0.01 5.86 1.04 -1.26 -1.25 113.70 124.23 2qux s SER 85 Ca -0.01 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.86 2qux s SER 85 Cb -0.18 -0.92 -0.00 0.00 0.10 0.00 0.00 66.02 65.01 2qux s SER 85 CO -0.10 -0.01 -0.08 -1.00 0.98 0.00 0.00 173.24 173.03 2qux s HIS 86 N -2.30 0.75 -0.18 5.02 0.09 0.15 -4.98 115.29 113.84 2qux s HIS 86 Ca 0.32 -0.15 -0.00 0.00 -0.00 0.00 0.00 55.06 55.23 2qux s HIS 86 Cb -0.07 -0.49 0.05 0.00 -0.00 0.00 0.00 32.58 32.07 2qux s HIS 86 CO 0.21 -0.02 -0.06 0.34 -0.00 0.00 0.00 174.74 175.21 2qux s ASP 87 N -0.14 3.09 -0.22 1.40 -1.08 -1.26 -2.42 116.67 116.03 2qux s ASP 87 Ca 0.02 -0.79 -0.02 0.00 -0.52 0.00 0.00 52.55 51.25 2qux s ASP 87 Cb -0.04 -0.99 0.01 0.00 -1.46 0.00 0.00 42.92 40.44 2qux s ASP 87 CO -0.00 -0.19 -0.08 -0.69 0.52 0.00 0.00 175.17 174.72 2qux s VAL 88 N 1.57 2.91 -0.40 1.11 1.01 -0.13 -4.97 120.40 121.49 2qux s VAL 88 Ca -0.01 -0.79 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 2qux s VAL 88 Cb -0.16 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.87 2qux s VAL 88 CO -0.08 0.36 0.56 -0.89 0.00 0.00 0.00 175.10 175.05 2qux s THR 89 N 1.38 4.94 -0.19 3.92 2.01 -1.26 -1.35 115.64 125.10 2qux s THR 89 Ca 0.04 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.10 2qux s THR 89 Cb -0.15 -4.09 -0.01 0.00 0.01 0.00 0.00 72.50 68.26 2qux s THR 89 CO -0.06 -0.43 -0.05 -0.63 -0.69 0.00 0.00 174.62 172.75 2qux s ILE 90 N 2.54 3.45 0.09 1.82 -1.09 -0.62 -4.99 121.20 122.40 2qux s ILE 90 Ca 0.19 -0.48 -0.24 0.00 -2.23 0.00 0.00 60.65 57.89 2qux s ILE 90 Cb -0.15 -2.54 -0.07 0.00 -1.58 0.00 0.00 42.46 38.12 2qux s ILE 90 CO 0.16 0.45 0.73 -0.69 -1.23 0.00 0.00 174.94 174.37 2qux s VAL 91 N 1.04 4.61 0.23 2.92 1.01 -1.26 -0.44 120.40 128.51 2qux s VAL 91 Ca 0.01 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2qux s VAL 91 Cb -0.15 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 2qux s VAL 91 CO 0.00 0.45 1.58 0.00 0.00 0.00 0.00 175.10 177.13 2qux h ALA 92 N 5.04 0.86 -0.45 5.51 0.00 -1.48 -2.31 119.26 126.43 2qux h ALA 92 Ca -0.46 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 53.97 2qux h ALA 92 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2qux h ALA 92 CO 0.68 0.67 0.00 0.27 0.00 0.00 0.00 179.25 180.87 2qux n ASN 93 N -3.96 3.52 -4.71 0.00 6.94 -1.26 -4.99 115.26 110.80 2qux n ASN 93 Ca -0.02 -2.33 -0.32 0.00 -0.02 0.00 0.00 54.58 51.89 2qux n ASN 93 Cb 0.56 -0.49 0.13 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 -0.76 3.58 0.43 0.53 1.04 -0.87 -5.02 113.70 112.62 2qux s SER 94 Ca 0.36 2.14 -0.22 0.00 0.48 0.00 0.00 55.95 58.71 2qux s SER 94 Cb 0.23 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.69 2qux s SER 94 CO 0.17 -2.67 0.98 0.42 0.98 0.00 0.00 173.24 173.13 2qux s THR 95 N -2.56 4.13 0.29 2.02 -4.23 -1.26 -4.97 115.64 109.06 2qux s THR 95 Ca 0.67 1.40 0.02 0.00 -1.18 0.00 0.00 61.69 62.60 2qux s THR 95 Cb -0.23 -3.61 0.29 0.00 1.34 0.00 0.00 72.50 70.29 2qux s THR 95 CO 0.55 -0.21 1.85 -0.08 -0.54 0.00 0.00 174.62 176.18 2qux h GLU 96 N 2.01 0.95 -0.91 3.99 4.81 -1.99 -2.75 114.58 120.69 2qux h GLU 96 Ca -0.49 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 58.73 2qux h GLU 96 Cb 1.20 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 2qux h GLU 96 CO 0.61 0.63 0.59 0.00 -0.73 0.00 0.00 179.01 180.11 2qux h ALA 97 N 1.54 1.23 -0.32 2.92 0.00 -1.98 0.14 119.26 122.78 2qux h ALA 97 Ca 0.48 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 2qux h ALA 97 Cb 0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2qux h ALA 97 CO -0.24 0.41 -0.22 0.66 0.00 0.00 0.00 179.25 179.85 2qux h SER 98 N 1.11 0.63 -0.09 0.00 4.64 -1.88 0.11 113.55 118.06 2qux h SER 98 Ca 0.38 -0.21 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 2qux h SER 98 Cb 0.07 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 2qux h SER 98 CO -0.14 0.84 -0.11 0.03 -0.87 0.00 0.00 176.83 176.59 2qux h ARG 99 N 0.55 0.23 -0.84 4.77 3.08 -1.35 -1.99 114.38 118.83 2qux h ARG 99 Ca 0.08 -0.13 0.08 0.00 0.07 0.00 0.00 59.98 60.08 2qux h ARG 99 Cb 0.68 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.67 2qux h ARG 99 CO 0.05 0.67 0.50 -0.22 -1.07 0.00 0.00 179.97 179.90 2qux h LYS 100 N -0.19 0.84 -0.53 0.04 1.63 -0.93 -1.88 116.57 115.55 2qux h LYS 100 Ca 0.01 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.71 2qux h LYS 100 Cb 0.64 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2qux h LYS 100 CO 0.03 0.56 0.12 1.03 -3.45 0.00 0.00 179.45 177.74 2qux h SER 101 N 0.87 0.81 -0.49 4.20 0.87 -0.70 0.46 113.55 119.57 2qux h SER 101 Ca 0.39 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 2qux h SER 101 Cb 0.29 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 2qux h SER 101 CO -0.22 0.84 0.28 0.25 -0.53 0.00 0.00 176.83 177.45 2qux h LEU 102 N 0.74 0.60 0.15 2.23 5.85 -1.15 -1.29 115.31 122.43 2qux h LEU 102 Ca 0.16 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2qux h LEU 102 Cb 0.35 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2qux h LEU 102 CO 0.00 0.49 -0.12 0.22 -0.34 0.00 0.00 178.44 178.69 2qux h TYR 103 N 0.65 -0.32 -0.51 1.25 3.20 -1.10 -1.60 116.97 118.53 2qux h TYR 103 Ca 0.17 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2qux h TYR 103 Cb 0.01 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 2qux h TYR 103 CO -0.02 -0.19 0.16 -0.44 -1.64 0.00 0.00 178.16 176.02 2qux h ASP 104 N -0.29 0.69 -0.31 -2.11 3.32 -0.77 0.11 116.42 117.07 2qux h ASP 104 Ca -0.00 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 56.78 2qux h ASP 104 Cb 0.26 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2qux h ASP 104 CO -0.02 0.66 -0.44 -0.07 -1.72 0.00 0.00 179.24 177.65 2qux h LEU 105 N 0.74 0.95 -0.20 1.55 3.38 -1.23 -1.99 115.31 118.50 2qux h LEU 105 Ca 0.17 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.62 2qux h LEU 105 Cb 0.22 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2qux h LEU 105 CO -0.01 1.25 -0.09 0.74 0.09 0.00 0.00 178.44 180.42 2qux h THR 106 N 0.70 1.30 -0.65 0.22 2.02 -0.96 -0.02 112.91 115.53 2qux h THR 106 Ca 0.04 -1.15 0.14 0.00 0.77 0.00 0.00 66.41 66.22 2qux h THR 106 Cb 1.03 1.63 -0.11 0.00 -1.74 0.00 0.00 68.15 68.96 2qux h THR 106 CO 0.10 0.35 -0.02 0.50 0.37 0.00 0.00 175.52 176.82 2qux h LYS 107 N 0.12 0.09 0.04 6.66 3.64 -0.82 0.83 116.57 127.13 2qux h LYS 107 Ca 0.05 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2qux h LYS 107 Cb 0.58 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2qux h LYS 107 CO 0.03 0.06 -0.02 1.03 -2.27 0.00 0.00 179.45 178.28 2qux h SER 108 N 0.09 -0.05 -0.41 4.20 0.87 -1.30 -1.80 113.55 115.16 2qux h SER 108 Ca 0.34 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 2qux h SER 108 Cb 0.56 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 2qux h SER 108 CO -0.58 0.08 0.14 0.25 -0.53 0.00 0.00 176.83 176.19 2qux h LEU 109 N -0.17 0.15 -0.77 2.23 5.85 -0.23 -1.71 115.31 120.66 2qux h LEU 109 Ca -0.01 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 2qux h LEU 109 Cb 0.15 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2qux h LEU 109 CO 0.01 0.12 -0.18 0.58 -0.34 0.00 0.00 178.44 178.63 2qux h VAL 110 N 0.31 1.26 0.00 1.05 2.07 -0.92 -2.86 116.25 117.17 2qux h VAL 110 Ca 0.19 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.45 2qux h VAL 110 Cb 0.18 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2qux h VAL 110 CO -0.20 0.42 0.00 0.00 0.02 0.00 0.00 177.57 177.82 2qux n ALA 111 N -2.49 1.59 -1.69 1.67 0.00 -0.68 -4.61 120.51 114.30 2qux n ALA 111 Ca 0.01 0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 2qux n ALA 111 Cb 0.40 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.21 3.13 0.36 0.00 -4.23 -0.71 -4.94 115.64 106.04 2qux s THR 112 Ca 0.05 0.65 0.34 0.00 -1.18 0.00 0.00 61.69 61.54 2qux s THR 112 Cb 0.09 -3.22 0.36 0.00 1.34 0.00 0.00 72.50 71.07 2qux s THR 112 CO 0.32 -0.20 2.11 0.28 -0.54 0.00 0.00 174.62 176.58 2qux h SER 113 N 0.83 0.00 -0.07 3.99 0.02 -1.90 -2.82 113.55 113.61 2qux h SER 113 Ca -0.49 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.26 2qux h SER 113 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2qux h SER 113 CO 0.56 0.05 -0.71 1.56 -1.14 0.00 0.00 176.83 177.16 2qux h GLN 114 N 0.00 0.71 -0.03 3.45 4.20 -1.92 -1.56 115.11 119.97 2qux h GLN 114 Ca -0.00 -0.54 -0.24 0.00 0.06 0.00 0.00 58.65 57.93 2qux h GLN 114 Cb 0.33 0.10 0.02 0.00 0.30 0.00 0.00 27.48 28.23 2qux h GLN 114 CO 0.01 1.16 -0.93 0.28 -0.67 0.00 0.00 178.83 178.67 2qux h VAL 115 N 0.50 1.30 -0.49 -0.54 2.07 -1.80 -0.13 116.25 117.15 2qux h VAL 115 Ca -0.03 -2.17 0.10 0.00 0.82 0.00 0.00 66.70 65.42 2qux h VAL 115 Cb 1.31 2.34 -0.10 0.00 -1.52 0.00 0.00 31.29 33.32 2qux h VAL 115 CO 0.14 0.67 -0.16 -0.08 0.02 0.00 0.00 177.57 178.16 2qux h GLU 116 N 0.35 -0.04 -0.21 1.57 4.81 -1.53 0.10 114.58 119.63 2qux h GLU 116 Ca -0.11 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.96 2qux h GLU 116 Cb 1.59 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 2qux h GLU 116 CO 0.18 -0.03 -0.56 -0.44 -0.73 0.00 0.00 179.01 177.44 2qux h ASP 117 N -0.05 0.70 -0.79 1.04 3.32 -1.26 0.65 116.42 120.03 2qux h ASP 117 Ca 0.24 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.92 2qux h ASP 117 Cb 0.41 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2qux h ASP 117 CO -0.53 1.11 0.52 0.25 -1.72 0.00 0.00 179.24 178.86 2qux h LEU 118 N 0.48 0.91 0.02 1.55 5.85 -0.65 0.26 115.31 123.73 2qux h LEU 118 Ca 0.01 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 2qux h LEU 118 Cb 1.11 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2qux h LEU 118 CO 0.11 0.66 -0.01 0.58 -0.34 0.00 0.00 178.44 179.44 2qux h VAL 119 N 1.07 1.24 0.01 1.05 2.07 -0.78 -2.81 116.25 118.09 2qux h VAL 119 Ca 0.29 -1.80 -0.20 0.00 0.82 0.00 0.00 66.70 65.81 2qux h VAL 119 Cb -0.12 2.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2qux h VAL 119 CO -0.06 0.40 -0.96 0.58 0.02 0.00 0.00 177.57 177.54 2qux h VAL 120 N -0.95 1.66 0.00 2.57 2.07 -0.93 -3.37 116.25 117.31 2qux h VAL 120 Ca -0.00 -3.22 0.00 0.00 0.82 0.00 0.00 66.70 64.30 2qux h VAL 120 Cb 0.68 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.20 2qux h VAL 120 CO 0.01 0.92 0.00 0.59 0.02 0.00 0.00 177.57 179.11 2qux n ASN 121 N -3.43 1.07 -2.66 0.57 4.13 0.82 -5.02 115.26 110.74 2qux n ASN 121 Ca -0.01 -1.40 -0.16 0.00 1.68 0.00 0.00 54.58 54.69 2qux n ASN 121 Cb 0.90 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 39.14 2qux n ASN 121 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2qux n LEU 122 N -0.20 -1.43 -4.62 3.41 4.77 -0.62 -4.92 117.00 113.38 2qux n LEU 122 Ca 0.00 0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.57 2qux n LEU 122 Cb 0.23 -2.29 -0.02 0.00 -2.33 0.00 0.00 43.42 39.02 2qux n LEU 122 CO 0.00 -0.05 0.99 -0.69 -1.33 0.00 0.00 177.39 176.31 2qux s VAL 123 N -2.76 4.39 0.75 4.08 1.01 -0.72 -4.87 120.40 122.28 2qux s VAL 123 Ca 0.10 1.54 -0.14 0.00 0.00 0.00 0.00 61.98 63.48 2qux s VAL 123 Cb -0.05 -4.49 0.05 0.00 0.00 0.00 0.00 36.38 31.89 2qux s VAL 123 CO 0.13 -0.68 1.19 -2.84 0.00 0.00 0.00 175.10 172.89 2qux s PRO 124 N 3.97 2.04 0.46 2.72 0.02 -1.26 -3.13 135.00 139.83 2qux s PRO 124 Ca 0.47 1.68 -0.20 0.00 0.02 0.00 0.00 61.00 62.96 2qux s PRO 124 Cb -0.10 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.49 2qux s PRO 124 CO 0.22 -1.89 0.99 -0.51 -0.33 0.00 0.00 177.00 175.48 2qux s LEU 125 N -5.36 3.87 0.00 -5.54 1.43 -1.26 -4.87 118.68 106.95 2qux s LEU 125 Ca 0.72 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2qux s LEU 125 Cb -0.27 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.40 2qux s LEU 125 CO 0.47 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 177.09 2qux n GLY 126 N -0.54 1.24 0.45 -3.19 0.00 -1.26 -5.21 105.19 96.68 2qux n GLY 126 Ca 0.08 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.53 2qux n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86