#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 6.82 0.60 6.12 1.04 -1.26 -4.99 113.70 122.03 2qux s SER 1 Ca 0.00 2.32 -0.16 0.00 0.48 0.00 0.00 55.95 58.59 2qux s SER 1 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 2qux s SER 1 CO 0.00 -0.67 1.07 -0.54 0.98 0.00 0.00 173.24 174.09 2qux s LYS 2 N 1.22 3.23 0.08 4.02 -0.14 -1.26 -4.88 119.74 122.01 2qux s LYS 2 Ca 0.65 1.29 -0.08 0.00 -1.36 0.00 0.00 55.97 56.47 2qux s LYS 2 Cb -0.37 -2.01 -0.01 0.00 -1.68 0.00 0.00 37.83 33.76 2qux s LYS 2 CO 0.30 -0.90 0.17 0.95 -0.76 0.00 0.00 175.35 175.11 2qux s THR 3 N -2.34 0.15 -0.05 2.17 -4.23 -1.26 -0.99 115.64 109.09 2qux s THR 3 Ca 0.65 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.97 2qux s THR 3 Cb -0.18 -1.33 0.01 0.00 1.34 0.00 0.00 72.50 72.34 2qux s THR 3 CO 0.36 -0.68 -0.13 -0.51 -0.54 0.00 0.00 174.62 173.12 2qux s ILE 4 N -3.77 1.17 -0.12 2.99 2.07 -0.11 -5.00 121.20 118.42 2qux s ILE 4 Ca 0.04 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 2qux s ILE 4 Cb 0.05 -1.04 -0.00 0.00 0.13 0.00 0.00 42.46 41.60 2qux s ILE 4 CO -0.10 0.35 -0.20 0.54 -1.91 0.00 0.00 174.94 173.62 2qux s VAL 5 N 0.36 2.38 -0.14 4.00 0.11 -1.26 -0.52 120.40 125.33 2qux s VAL 5 Ca -0.09 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.08 2qux s VAL 5 Cb -0.13 -1.95 -0.00 0.00 -1.53 0.00 0.00 36.38 32.76 2qux s VAL 5 CO 0.03 0.54 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.41 2qux s LEU 6 N 0.49 2.45 -0.26 2.54 1.43 0.56 -4.96 118.68 120.94 2qux s LEU 6 Ca -0.13 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.42 2qux s LEU 6 Cb -0.17 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 2qux s LEU 6 CO 0.05 0.12 0.15 -0.44 0.23 0.00 0.00 176.35 176.45 2qux s SER 7 N 0.62 5.78 -0.69 2.29 0.01 -1.26 -0.73 113.70 119.71 2qux s SER 7 Ca -0.09 -0.04 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2qux s SER 7 Cb -0.16 -2.06 0.17 0.00 0.21 0.00 0.00 66.02 64.19 2qux s SER 7 CO 0.03 -0.01 0.50 0.52 0.41 0.00 0.00 173.24 174.69 2qux n VAL 8 N 4.80 1.54 0.00 3.43 0.31 -1.18 -5.03 118.33 122.20 2qux n VAL 8 Ca -0.15 -4.82 0.00 0.00 -0.01 0.00 0.00 64.34 59.36 2qux n VAL 8 Cb 0.52 -2.16 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 2qux n VAL 8 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qux n GLY 9 N 1.94 1.85 0.07 2.92 0.00 -1.26 -2.85 105.19 107.87 2qux n GLY 9 Ca 0.21 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.25 2qux n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qux n GLU 10 N 2.71 0.28 -3.11 1.61 4.07 -1.26 -4.92 120.64 120.02 2qux n GLU 10 Ca 0.00 -0.15 -0.19 0.00 -0.06 0.00 0.00 57.16 56.77 2qux n GLU 10 Cb 0.00 -1.50 0.02 0.00 -0.06 0.00 0.00 31.44 29.90 2qux n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qux s ALA 11 N -2.82 4.54 0.00 4.31 0.00 -1.13 -5.15 121.76 121.51 2qux s ALA 11 Ca 0.16 -1.83 -0.06 0.00 0.00 0.00 0.00 51.96 50.23 2qux s ALA 11 Cb 0.18 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 2qux s ALA 11 CO 0.62 -0.47 0.11 -0.08 0.00 0.00 0.00 175.76 175.94 2qux s THR 12 N -2.48 0.09 -0.11 0.00 -1.32 -1.26 -3.11 115.64 107.44 2qux s THR 12 Ca 0.56 -0.71 -0.01 0.00 -1.21 0.00 0.00 61.69 60.31 2qux s THR 12 Cb -0.08 -0.40 0.03 0.00 -1.51 0.00 0.00 72.50 70.55 2qux s THR 12 CO 0.34 -0.39 -0.02 -0.13 -2.21 0.00 0.00 174.62 172.20 2qux s ARG 13 N -1.37 0.99 -0.22 7.08 1.81 0.09 -4.99 118.95 122.34 2qux s ARG 13 Ca -0.15 -0.15 -0.05 0.00 -1.72 0.00 0.00 55.73 53.67 2qux s ARG 13 Cb -0.08 -1.44 -0.02 0.00 -0.45 0.00 0.00 34.95 32.97 2qux s ARG 13 CO 0.01 -0.35 -0.01 0.99 -0.68 0.00 0.00 175.30 175.26 2qux s THR 14 N 1.84 3.75 -0.16 0.02 2.01 -1.26 -0.32 115.64 121.52 2qux s THR 14 Ca 0.04 -0.37 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 2qux s THR 14 Cb -0.13 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 2qux s THR 14 CO -0.07 0.41 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.50 2qux s LEU 15 N 1.30 3.37 -0.09 4.42 1.02 0.32 -4.33 118.68 124.69 2qux s LEU 15 Ca 0.04 -0.07 0.02 0.00 0.02 0.00 0.00 54.13 54.13 2qux s LEU 15 Cb -0.15 -1.82 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 2qux s LEU 15 CO 0.00 0.18 -0.13 -0.89 0.02 0.00 0.00 176.35 175.53 2qux s THR 16 N 0.28 3.09 -0.14 5.49 2.01 0.81 -0.94 115.64 126.24 2qux s THR 16 Ca -0.02 -0.68 -0.29 0.00 0.31 0.00 0.00 61.69 61.01 2qux s THR 16 Cb -0.14 -2.25 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 2qux s THR 16 CO 0.02 0.56 1.96 -0.70 -0.69 0.00 0.00 174.62 175.78 2qux s GLU 17 N -0.20 3.65 -0.14 4.92 2.12 -0.16 -0.67 118.70 128.22 2qux s GLU 17 Ca 0.00 2.11 0.18 0.00 0.36 0.00 0.00 54.97 57.62 2qux s GLU 17 Cb -0.13 -4.21 -0.25 0.00 0.26 0.00 0.00 34.13 29.80 2qux s GLU 17 CO 0.03 -1.50 0.16 0.44 -0.54 0.00 0.00 175.26 173.85 2qux n ILE 18 N 6.64 0.96 -3.83 -3.70 -5.35 -0.15 -4.71 119.36 109.22 2qux n ILE 18 Ca 0.23 -0.71 -0.07 0.00 -0.27 0.00 0.00 62.75 61.93 2qux n ILE 18 Cb 0.44 -0.36 -0.02 0.00 -1.74 0.00 0.00 39.64 37.96 2qux n ILE 18 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qux s GLN 19 N -2.70 1.74 -0.30 6.28 -2.07 -1.19 -5.05 119.66 116.37 2qux s GLN 19 Ca -0.09 -0.95 -0.14 0.00 -1.82 0.00 0.00 55.36 52.36 2qux s GLN 19 Cb 0.07 0.60 0.15 0.00 -1.09 0.00 0.00 33.01 32.74 2qux s GLN 19 CO 0.79 -0.79 0.89 -1.54 -1.32 0.00 0.00 175.29 173.31 2qux s SER 20 N -2.91 -0.72 0.43 12.60 1.04 -1.26 -1.53 113.70 121.34 2qux s SER 20 Ca 0.11 1.02 -0.09 0.00 0.48 0.00 0.00 55.95 57.47 2qux s SER 20 Cb -0.06 1.71 -0.06 0.00 0.10 0.00 0.00 66.02 67.71 2qux s SER 20 CO 0.06 -0.15 0.77 0.42 0.98 0.00 0.00 173.24 175.33 2qux s THR 21 N 2.30 4.82 0.53 2.02 -4.23 -1.15 -5.01 115.64 114.91 2qux s THR 21 Ca -0.05 0.50 0.26 0.00 -1.18 0.00 0.00 61.69 61.22 2qux s THR 21 Cb -0.07 -3.77 0.40 0.00 1.34 0.00 0.00 72.50 70.41 2qux s THR 21 CO -0.18 -0.61 1.99 0.00 -0.54 0.00 0.00 174.62 175.28 2qux h ALA 22 N 0.97 2.52 0.04 3.99 0.00 -2.02 -2.19 119.26 122.57 2qux h ALA 22 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 2qux h ALA 22 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qux h ALA 22 CO 0.63 -0.69 -0.02 -0.44 0.00 0.00 0.00 179.25 178.73 2qux h ASP 23 N 0.00 -0.04 -2.93 0.00 5.19 -1.95 -3.46 116.42 113.22 2qux h ASP 23 Ca 0.26 0.00 -0.71 0.00 -0.62 0.00 0.00 57.03 55.96 2qux h ASP 23 Cb 1.07 0.01 -0.21 0.00 0.18 0.00 0.00 39.33 40.39 2qux h ASP 23 CO -0.00 0.43 0.06 -0.13 -3.12 0.00 0.00 179.24 176.47 2qux s ARG 24 N -1.69 3.03 0.19 3.56 0.52 -0.82 -3.74 118.95 120.01 2qux s ARG 24 Ca -0.01 -1.39 -0.19 0.00 -0.52 0.00 0.00 55.73 53.62 2qux s ARG 24 Cb 0.00 -4.27 -0.08 0.00 0.52 0.00 0.00 34.95 31.12 2qux s ARG 24 CO 0.02 -1.51 0.68 -0.65 0.02 0.00 0.00 175.30 173.87 2qux s GLN 25 N 2.50 4.22 -0.06 3.54 -0.21 0.25 -2.94 119.66 126.95 2qux s GLN 25 Ca 0.10 0.81 0.03 0.00 0.02 0.00 0.00 55.36 56.31 2qux s GLN 25 Cb -0.25 -2.94 0.01 0.00 1.00 0.00 0.00 33.01 30.83 2qux s GLN 25 CO 0.06 0.44 -0.13 0.42 -2.12 0.00 0.00 175.29 173.96 2qux s ILE 26 N -1.46 1.17 -0.05 1.08 1.01 -0.58 -1.28 121.20 121.09 2qux s ILE 26 Ca 0.40 -0.51 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2qux s ILE 26 Cb -0.17 -1.06 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 2qux s ILE 26 CO 0.21 0.36 -0.22 -0.36 0.00 0.00 0.00 174.94 174.93 2qux s PHE 27 N 0.57 2.12 0.05 3.97 0.40 0.38 -0.97 117.98 124.50 2qux s PHE 27 Ca -0.13 -0.60 0.02 0.00 -0.60 0.00 0.00 56.93 55.62 2qux s PHE 27 Cb -0.15 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 2qux s PHE 27 CO 0.04 -0.18 -0.07 -1.21 0.70 0.00 0.00 175.22 174.50 2qux s GLU 28 N -0.13 0.60 -0.57 0.44 2.02 0.15 -0.31 118.70 120.90 2qux s GLU 28 Ca -0.02 -0.90 -0.28 0.00 0.02 0.00 0.00 54.97 53.78 2qux s GLU 28 Cb -0.12 -0.24 0.03 0.00 0.10 0.00 0.00 34.13 33.89 2qux s GLU 28 CO 0.03 0.03 1.21 -2.00 0.02 0.00 0.00 175.26 174.54 2qux s GLU 29 N -2.18 3.51 -1.25 1.61 2.12 -0.28 -0.13 118.70 122.10 2qux s GLU 29 Ca -0.05 0.29 -0.16 0.00 0.36 0.00 0.00 54.97 55.42 2qux s GLU 29 Cb -0.06 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 2qux s GLU 29 CO -0.01 -1.68 2.18 1.63 -0.54 0.00 0.00 175.26 176.83 2qux n LYS 30 N 8.42 2.48 -3.92 4.30 5.02 -1.26 -4.62 118.16 128.58 2qux n LYS 30 Ca 0.09 -2.32 -0.10 0.00 -2.02 0.00 0.00 58.31 53.96 2qux n LYS 30 Cb 0.49 -3.12 -0.12 0.00 -0.02 0.00 0.00 35.03 32.26 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 3.68 0.07 0.00 -0.18 -7.23 -1.26 -5.13 120.40 110.35 2qux s VAL 31 Ca 0.51 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 60.10 2qux s VAL 31 Cb 0.14 -0.23 0.00 0.00 0.56 0.00 0.00 36.38 36.85 2qux s VAL 31 CO -0.02 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 2qux n GLY 32 N 2.03 -1.43 3.62 2.32 0.00 -1.26 -4.85 105.19 105.61 2qux n GLY 32 Ca -0.20 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.06 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 0.70 0.19 1.61 -0.02 -1.26 -4.94 135.00 131.28 2qux n PRO 33 Ca 0.00 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 2qux n PRO 33 Cb 0.00 -2.20 0.38 0.00 -0.02 0.00 0.00 33.50 31.66 2qux n PRO 33 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2qux h LEU 34 N 0.09 0.00 -9.77 2.45 3.38 -2.01 -3.42 115.31 106.03 2qux h LEU 34 Ca -0.48 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.00 2qux h LEU 34 Cb 1.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 2qux h LEU 34 CO 0.49 0.36 0.32 0.68 0.09 0.00 0.00 178.44 180.38 2qux s VAL 35 N -4.06 4.15 -0.80 1.22 -7.23 -1.26 -4.35 120.40 108.07 2qux s VAL 35 Ca -0.02 1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 62.11 2qux s VAL 35 Cb 0.14 -4.24 0.00 0.00 0.56 0.00 0.00 36.38 32.84 2qux s VAL 35 CO 0.71 0.44 0.13 0.61 -0.31 0.00 0.00 175.10 176.68 2qux n GLY 36 N 1.34 0.03 3.79 2.32 0.00 -1.26 -4.99 105.19 106.42 2qux n GLY 36 Ca -0.02 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.76 4.47 -0.19 1.61 0.52 -1.26 -4.43 118.95 114.90 2qux s ARG 37 Ca 0.07 1.11 -0.33 0.00 -0.52 0.00 0.00 55.73 56.06 2qux s ARG 37 Cb -0.03 -2.99 -0.10 0.00 0.52 0.00 0.00 34.95 32.35 2qux s ARG 37 CO 0.08 0.42 2.05 -0.11 0.02 0.00 0.00 175.30 177.77 2qux n LEU 38 N 0.98 3.06 -4.42 2.53 7.94 -1.26 -4.78 117.00 121.05 2qux n LEU 38 Ca -0.02 0.63 -0.31 0.00 -1.11 0.00 0.00 56.01 55.20 2qux n LEU 38 Cb 0.50 -1.39 -0.14 0.00 0.53 0.00 0.00 43.42 42.92 2qux n LEU 38 CO 0.45 -0.38 -0.50 -0.60 -1.11 0.00 0.00 177.39 175.24 2qux s ARG 39 N 5.23 2.21 -0.17 1.96 3.52 -0.99 -1.13 118.95 129.59 2qux s ARG 39 Ca 0.99 -0.88 -0.01 0.00 -0.13 0.00 0.00 55.73 55.71 2qux s ARG 39 Cb -0.65 -2.21 0.05 0.00 -1.56 0.00 0.00 34.95 30.58 2qux s ARG 39 CO 0.47 0.57 -0.03 -1.17 -0.81 0.00 0.00 175.30 174.33 2qux s LEU 40 N -0.98 1.52 -0.19 -0.88 1.98 0.57 -0.89 118.68 119.81 2qux s LEU 40 Ca 0.12 -0.69 -0.08 0.00 -2.89 0.00 0.00 54.13 50.60 2qux s LEU 40 Cb -0.10 -0.83 -0.04 0.00 0.66 0.00 0.00 46.19 45.87 2qux s LEU 40 CO 0.02 -0.21 0.08 -0.89 -1.89 0.00 0.00 176.35 173.45 2qux s THR 41 N 1.69 4.91 0.04 3.68 2.01 -0.61 -0.47 115.64 126.88 2qux s THR 41 Ca 0.00 0.01 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2qux s THR 41 Cb -0.16 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 2qux s THR 41 CO -0.07 0.45 -0.16 0.00 -0.69 0.00 0.00 174.62 174.15 2qux s ALA 42 N 0.44 1.30 0.14 7.40 0.00 -0.41 -1.14 121.76 129.49 2qux s ALA 42 Ca 0.04 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 2qux s ALA 42 Cb -0.12 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.80 2qux s ALA 42 CO 0.00 0.26 0.40 -1.54 0.00 0.00 0.00 175.76 174.88 2qux s SER 43 N -1.13 -0.18 -0.08 0.00 1.04 -0.00 -0.59 113.70 112.76 2qux s SER 43 Ca 0.03 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.00 2qux s SER 43 Cb -0.08 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.56 2qux s SER 43 CO 0.01 -0.89 0.16 -0.22 0.98 0.00 0.00 173.24 173.29 2qux s LEU 44 N -2.84 0.49 0.01 2.42 2.96 -1.24 -1.72 118.68 118.75 2qux s LEU 44 Ca 0.06 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 2qux s LEU 44 Cb 0.02 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 47.09 2qux s LEU 44 CO -0.09 -0.17 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.59 2qux s ARG 45 N 1.46 0.39 0.05 1.98 1.81 -0.97 -4.80 118.95 118.86 2qux s ARG 45 Ca -0.06 -0.38 -0.09 0.00 -1.72 0.00 0.00 55.73 53.48 2qux s ARG 45 Cb -0.12 -0.27 -0.05 0.00 -0.45 0.00 0.00 34.95 34.06 2qux s ARG 45 CO -0.06 0.06 0.34 -0.65 -0.68 0.00 0.00 175.30 174.31 2qux s GLN 46 N -0.69 3.69 1.00 3.54 -0.21 -1.26 -0.41 119.66 125.31 2qux s GLN 46 Ca -0.04 0.07 -0.13 0.00 0.02 0.00 0.00 55.36 55.28 2qux s GLN 46 Cb -0.05 -3.04 0.19 0.00 1.00 0.00 0.00 33.01 31.11 2qux s GLN 46 CO -0.00 0.60 1.12 0.54 -2.12 0.00 0.00 175.29 175.43 2qux s ASN 47 N -1.72 2.68 0.11 5.90 4.22 -0.51 -4.94 114.94 120.68 2qux s ASN 47 Ca 0.30 1.01 -0.13 0.00 -2.14 0.00 0.00 52.86 51.90 2qux s ASN 47 Cb -0.14 -1.58 -0.08 0.00 1.28 0.00 0.00 41.25 40.73 2qux s ASN 47 CO 0.17 -3.07 1.42 1.23 -2.04 0.00 0.00 177.10 174.81 2qux h GLY 48 N -1.85 0.88 2.00 0.45 0.00 -1.99 -2.34 103.07 100.22 2qux h GLY 48 Ca -0.52 -0.96 0.00 0.00 0.00 0.00 0.00 47.33 45.85 2qux h GLY 48 CO 0.56 0.87 0.00 0.00 0.00 0.00 0.00 176.54 177.97 2qux h ALA 49 N 0.70 1.00 -2.38 3.60 0.00 -1.97 -3.48 119.26 116.73 2qux h ALA 49 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 2qux h ALA 49 Cb 1.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.82 2qux h ALA 49 CO 0.10 0.00 -0.27 1.17 0.00 0.00 0.00 179.25 180.25 2qux n LYS 50 N -3.02 -2.38 -0.01 0.00 4.81 -0.88 -4.95 118.16 111.73 2qux n LYS 50 Ca -0.00 0.39 0.04 0.00 -0.87 0.00 0.00 58.31 57.87 2qux n LYS 50 Cb 0.25 -4.15 0.04 0.00 0.02 0.00 0.00 35.03 31.19 2qux n LYS 50 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2qux n THR 51 N -3.75 0.12 -3.61 3.15 -2.24 -1.26 -4.95 114.28 101.73 2qux n THR 51 Ca -0.04 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 2qux n THR 51 Cb 0.55 1.09 -0.06 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.69 -1.30 0.25 6.98 0.00 -1.26 -0.63 121.76 125.11 2qux s ALA 52 Ca 0.10 0.70 0.08 0.00 0.00 0.00 0.00 51.96 52.84 2qux s ALA 52 Cb 0.07 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 2qux s ALA 52 CO 0.10 -0.41 0.13 0.71 0.00 0.00 0.00 175.76 176.29 2qux s TYR 53 N -1.89 2.99 -0.17 0.00 2.02 0.85 -1.43 117.35 119.72 2qux s TYR 53 Ca -0.08 -0.14 -0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2qux s TYR 53 Cb -0.01 -1.34 0.05 0.00 -0.40 0.00 0.00 41.96 40.25 2qux s TYR 53 CO 0.03 0.55 -0.01 1.03 -1.57 0.00 0.00 175.55 175.57 2qux s ARG 54 N -3.74 1.07 -0.25 -0.62 1.81 0.45 -2.20 118.95 115.47 2qux s ARG 54 Ca 0.32 -0.46 -0.19 0.00 -1.72 0.00 0.00 55.73 53.68 2qux s ARG 54 Cb -0.08 -1.99 -0.03 0.00 -0.45 0.00 0.00 34.95 32.40 2qux s ARG 54 CO 0.23 -0.52 0.55 0.08 -0.68 0.00 0.00 175.30 174.97 2qux s VAL 55 N 1.73 5.05 -0.19 3.52 1.01 -0.70 -2.30 120.40 128.52 2qux s VAL 55 Ca -0.00 0.97 -0.02 0.00 0.00 0.00 0.00 61.98 62.93 2qux s VAL 55 Cb -0.16 -3.86 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 2qux s VAL 55 CO -0.07 0.09 -0.10 0.20 0.00 0.00 0.00 175.10 175.21 2qux s ASN 56 N 1.44 3.98 0.14 3.32 0.01 -0.70 -0.63 114.94 122.50 2qux s ASN 56 Ca 0.23 -0.42 0.10 0.00 -0.71 0.00 0.00 52.86 52.05 2qux s ASN 56 Cb -0.16 -1.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 2qux s ASN 56 CO 0.09 0.04 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.76 2qux s LEU 57 N 1.11 2.61 -0.27 0.60 1.43 -0.83 -0.82 118.68 122.50 2qux s LEU 57 Ca 0.01 -0.65 -0.01 0.00 -1.03 0.00 0.00 54.13 52.45 2qux s LEU 57 Cb -0.14 -1.43 0.16 0.00 0.03 0.00 0.00 46.19 44.81 2qux s LEU 57 CO -0.03 0.16 0.48 -0.75 0.23 0.00 0.00 176.35 176.45 2qux s LYS 58 N -2.28 0.46 -0.27 1.70 2.20 -0.29 0.26 119.74 121.51 2qux s LYS 58 Ca 0.18 0.65 -0.16 0.00 -0.36 0.00 0.00 55.97 56.28 2qux s LYS 58 Cb -0.10 -0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 2qux s LYS 58 CO 0.10 -0.73 0.42 -1.17 -0.36 0.00 0.00 175.35 173.60 2qux s LEU 59 N 2.68 4.06 -0.19 5.43 2.96 -0.78 -1.58 118.68 131.27 2qux s LEU 59 Ca 0.15 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.34 2qux s LEU 59 Cb -0.14 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 2qux s LEU 59 CO -0.21 -0.22 0.00 -1.81 -1.32 0.00 0.00 176.35 172.79 2qux s ASP 60 N 1.62 4.93 -0.32 3.68 1.01 -0.07 -1.60 116.67 125.92 2qux s ASP 60 Ca 0.17 -0.15 0.03 0.00 0.71 0.00 0.00 52.55 53.31 2qux s ASP 60 Cb -0.16 -1.84 0.09 0.00 1.01 0.00 0.00 42.92 42.02 2qux s ASP 60 CO 0.10 0.10 0.00 -1.58 0.21 0.00 0.00 175.17 174.00 2qux s GLN 61 N 0.80 1.73 0.57 8.23 0.74 -0.26 -2.35 119.66 129.11 2qux s GLN 61 Ca 0.01 -1.71 -0.17 0.00 0.05 0.00 0.00 55.36 53.54 2qux s GLN 61 Cb -0.14 -3.12 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 2qux s GLN 61 CO 0.02 -0.83 1.06 0.00 -0.55 0.00 0.00 175.29 174.99 2qux s ALA 62 N 0.97 2.76 -0.39 1.58 0.00 -1.26 -1.25 121.76 124.16 2qux s ALA 62 Ca 0.05 0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.40 2qux s ALA 62 Cb -0.19 -3.24 0.08 0.00 0.00 0.00 0.00 23.12 19.77 2qux s ALA 62 CO -0.07 -0.72 0.19 0.34 0.00 0.00 0.00 175.76 175.50 2qux s ASP 63 N -2.58 5.38 -0.25 0.00 2.15 0.54 -4.94 116.67 116.97 2qux s ASP 63 Ca 0.65 -1.61 -0.13 0.00 0.43 0.00 0.00 52.55 51.88 2qux s ASP 63 Cb -0.16 -1.89 -0.04 0.00 -0.30 0.00 0.00 42.92 40.53 2qux s ASP 63 CO 0.33 -0.48 0.29 -0.69 -0.17 0.00 0.00 175.17 174.44 2qux s VAL 64 N 1.31 5.25 -0.20 1.11 1.01 -1.26 -0.38 120.40 127.25 2qux s VAL 64 Ca 0.03 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.36 2qux s VAL 64 Cb -0.22 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 2qux s VAL 64 CO -0.00 0.24 0.04 0.68 0.00 0.00 0.00 175.10 176.06 2qux s VAL 65 N 1.60 4.42 -0.80 2.92 -7.23 -0.08 -4.91 120.40 116.32 2qux s VAL 65 Ca 0.12 -0.16 -0.03 0.00 -1.81 0.00 0.00 61.98 60.11 2qux s VAL 65 Cb -0.15 -3.00 0.20 0.00 0.56 0.00 0.00 36.38 33.99 2qux s VAL 65 CO 0.08 0.43 0.67 -0.62 -0.31 0.00 0.00 175.10 175.35 2qux s ASP 66 N 0.78 5.78 -0.95 4.85 -1.08 -1.26 -0.92 116.67 123.87 2qux s ASP 66 Ca 0.02 -3.40 -0.00 0.00 -0.52 0.00 0.00 52.55 48.65 2qux s ASP 66 Cb -0.14 -1.90 0.33 0.00 -1.46 0.00 0.00 42.92 39.75 2qux s ASP 66 CO 0.02 -0.26 1.73 -1.54 0.52 0.00 0.00 175.17 175.64 2qux n SER 67 N 2.77 6.99 0.00 -0.34 3.41 -1.26 -4.81 113.62 120.39 2qux n SER 67 Ca 0.17 -3.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.07 2qux n SER 67 Cb 0.38 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 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 -0.14 2.45 3.52 5.00 0.00 -1.26 -5.00 105.19 109.76 2qux n GLY 68 Ca 0.46 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 2.83 0.26 0.99 1.43 -1.26 -5.11 118.68 117.82 2qux s LEU 75 Ca 0.00 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 2qux s LEU 75 Cb 0.00 -1.66 -0.10 0.00 0.03 0.00 0.00 46.19 44.46 2qux s LEU 75 CO 0.00 0.20 1.45 -2.16 0.23 0.00 0.00 176.35 176.07 2qux s PRO 76 N -1.97 4.26 -0.04 1.29 0.04 -1.26 -4.56 135.00 132.75 2qux s PRO 76 Ca 0.18 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2qux s PRO 76 Cb -0.11 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.36 2qux s PRO 76 CO 0.10 -0.43 -0.02 0.21 0.04 0.00 0.00 177.00 176.91 2qux s LYS 77 N -0.49 0.59 -0.43 4.56 2.20 -0.10 -4.97 119.74 121.10 2qux s LYS 77 Ca 0.59 0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.92 2qux s LYS 77 Cb -0.42 -0.73 0.01 0.00 -1.51 0.00 0.00 37.83 35.17 2qux s LYS 77 CO 0.45 -0.14 1.48 0.08 -0.36 0.00 0.00 175.35 176.85 2qux s VAL 78 N 1.16 3.81 0.02 4.02 1.01 -1.26 -0.90 120.40 128.26 2qux s VAL 78 Ca -0.08 0.80 -0.26 0.00 0.00 0.00 0.00 61.98 62.45 2qux s VAL 78 Cb -0.14 -4.16 -0.17 0.00 0.00 0.00 0.00 36.38 31.92 2qux s VAL 78 CO -0.02 -0.78 1.33 0.03 0.00 0.00 0.00 175.10 175.67 2qux h ARG 79 N 11.17 -0.41 -3.55 2.72 3.08 -1.08 -3.48 114.38 122.83 2qux h ARG 79 Ca -0.28 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.76 2qux h ARG 79 Cb 1.11 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 31.17 2qux h ARG 79 CO 1.10 -0.12 -0.07 1.52 -1.07 0.00 0.00 179.97 181.32 2qux s TYR 80 N -4.96 0.24 -0.03 3.04 -0.85 -1.25 -5.02 117.35 108.53 2qux s TYR 80 Ca -0.15 -0.61 0.03 0.00 -0.52 0.00 0.00 57.07 55.83 2qux s TYR 80 Cb 0.03 0.26 -0.00 0.00 0.38 0.00 0.00 41.96 42.63 2qux s TYR 80 CO 0.57 -1.00 -0.13 0.99 -1.52 0.00 0.00 175.55 174.46 2qux s THR 81 N -3.99 1.06 -0.01 -3.49 2.01 -1.26 -0.34 115.64 109.62 2qux s THR 81 Ca 0.19 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.71 2qux s THR 81 Cb -0.01 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2qux s THR 81 CO 0.07 0.31 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.07 2qux s GLN 82 N 0.03 2.38 0.02 4.92 -0.21 -0.38 -4.98 119.66 121.43 2qux s GLN 82 Ca -0.02 -0.79 0.04 0.00 0.02 0.00 0.00 55.36 54.61 2qux s GLN 82 Cb -0.09 -2.34 -0.01 0.00 1.00 0.00 0.00 33.01 31.56 2qux s GLN 82 CO 0.01 0.59 -0.11 0.08 -2.12 0.00 0.00 175.29 173.74 2qux s VAL 83 N -0.84 0.89 -0.29 1.09 1.01 -1.26 -1.11 120.40 119.89 2qux s VAL 83 Ca 0.14 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2qux s VAL 83 Cb -0.11 -0.79 0.09 0.00 0.00 0.00 0.00 36.38 35.57 2qux s VAL 83 CO 0.03 0.08 0.09 0.86 0.00 0.00 0.00 175.10 176.16 2qux s TRP 84 N -0.59 1.45 0.17 5.22 -0.11 -0.63 -5.01 118.94 119.44 2qux s TRP 84 Ca 0.02 -1.50 0.04 0.00 1.22 0.00 0.00 56.10 55.87 2qux s TRP 84 Cb -0.06 -1.51 -0.04 0.00 -1.50 0.00 0.00 33.47 30.37 2qux s TRP 84 CO 0.00 -0.83 0.25 -1.54 -4.62 0.00 0.00 176.95 170.21 2qux s SER 85 N 1.71 6.04 -0.02 5.86 1.04 -1.26 -1.87 113.70 125.21 2qux s SER 85 Ca 0.08 0.04 0.05 0.00 0.48 0.00 0.00 55.95 56.59 2qux s SER 85 Cb -0.17 -1.73 -0.01 0.00 0.10 0.00 0.00 66.02 64.21 2qux s SER 85 CO -0.24 0.03 -0.15 -1.00 0.98 0.00 0.00 173.24 172.86 2qux s HIS 86 N -1.81 1.39 -0.17 5.02 0.09 0.14 -4.96 115.29 114.98 2qux s HIS 86 Ca 0.33 -0.28 -0.02 0.00 -0.00 0.00 0.00 55.06 55.09 2qux s HIS 86 Cb -0.10 -0.90 0.05 0.00 -0.00 0.00 0.00 32.58 31.63 2qux s HIS 86 CO 0.27 -0.04 0.03 0.34 -0.00 0.00 0.00 174.74 175.33 2qux s ASP 87 N -0.29 2.71 -0.25 1.40 2.15 -1.26 -1.97 116.67 119.15 2qux s ASP 87 Ca 0.04 -0.70 -0.02 0.00 0.43 0.00 0.00 52.55 52.30 2qux s ASP 87 Cb -0.07 -0.59 0.03 0.00 -0.30 0.00 0.00 42.92 41.99 2qux s ASP 87 CO -0.00 -0.28 -0.05 -0.69 -0.17 0.00 0.00 175.17 173.97 2qux s VAL 88 N 1.86 2.94 -0.31 1.11 1.01 0.20 -4.99 120.40 122.22 2qux s VAL 88 Ca 0.00 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 2qux s VAL 88 Cb -0.16 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2qux s VAL 88 CO -0.08 0.18 0.51 -0.89 0.00 0.00 0.00 175.10 174.82 2qux s THR 89 N 1.33 5.04 -0.15 3.92 2.01 -1.26 -1.72 115.64 124.80 2qux s THR 89 Ca 0.00 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.56 2qux s THR 89 Cb -0.17 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.46 2qux s THR 89 CO -0.04 -0.09 -0.18 -0.63 -0.69 0.00 0.00 174.62 172.99 2qux s ILE 90 N 2.36 1.86 0.17 1.82 1.01 -0.94 -5.02 121.20 122.46 2qux s ILE 90 Ca 0.19 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 59.77 2qux s ILE 90 Cb -0.15 -1.68 -0.08 0.00 0.01 0.00 0.00 42.46 40.55 2qux s ILE 90 CO 0.12 0.51 0.77 -0.69 0.00 0.00 0.00 174.94 175.65 2qux s VAL 91 N 1.18 4.39 0.09 2.92 1.01 -1.26 -0.10 120.40 128.62 2qux s VAL 91 Ca 0.00 1.66 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 2qux s VAL 91 Cb -0.14 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.05 2qux s VAL 91 CO -0.08 0.49 1.42 0.00 0.00 0.00 0.00 175.10 176.93 2qux h ALA 92 N 4.23 0.40 -0.01 5.51 0.00 -1.22 -2.96 119.26 125.20 2qux h ALA 92 Ca -0.47 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.06 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 0.66 0.37 0.00 0.27 0.00 0.00 0.00 179.25 180.54 2qux n ASN 93 N -4.33 0.55 -4.84 0.00 6.94 -1.26 -4.93 115.26 107.38 2qux n ASN 93 Ca -0.04 -2.01 -0.31 0.00 -0.02 0.00 0.00 54.58 52.20 2qux n ASN 93 Cb 0.43 -0.24 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 -0.55 6.00 0.48 0.53 1.04 -1.12 -5.05 113.70 115.03 2qux s SER 94 Ca 0.01 1.55 -0.18 0.00 0.48 0.00 0.00 55.95 57.80 2qux s SER 94 Cb 0.01 -2.49 -0.09 0.00 0.10 0.00 0.00 66.02 63.55 2qux s SER 94 CO 0.01 -1.02 0.98 0.42 0.98 0.00 0.00 173.24 174.60 2qux s THR 95 N -2.97 4.41 0.29 2.02 -4.23 -1.26 -4.99 115.64 108.92 2qux s THR 95 Ca 0.57 1.31 0.05 0.00 -1.18 0.00 0.00 61.69 62.44 2qux s THR 95 Cb -0.12 -3.65 0.05 0.00 1.34 0.00 0.00 72.50 70.12 2qux s THR 95 CO 0.49 -0.51 1.71 -0.08 -0.54 0.00 0.00 174.62 175.69 2qux h GLU 96 N 1.32 0.32 -0.99 3.99 4.81 -2.00 -3.02 114.58 119.03 2qux h GLU 96 Ca -0.48 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 58.66 2qux h GLU 96 Cb 1.19 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.49 2qux h GLU 96 CO 0.61 0.64 0.64 0.00 -0.73 0.00 0.00 179.01 180.17 2qux h ALA 97 N 1.36 1.33 -0.26 2.92 0.00 -1.99 -1.83 119.26 120.79 2qux h ALA 97 Ca 0.03 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 2qux h ALA 97 Cb 0.75 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qux h ALA 97 CO 0.06 0.49 -0.48 0.66 0.00 0.00 0.00 179.25 179.99 2qux h SER 98 N 1.21 0.77 -0.02 0.00 4.64 -1.93 -1.11 113.55 117.11 2qux h SER 98 Ca 0.40 -0.38 -0.16 0.00 -0.47 0.00 0.00 61.79 61.19 2qux h SER 98 Cb 0.06 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2qux h SER 98 CO -0.14 1.12 -0.51 0.03 -0.87 0.00 0.00 176.83 176.46 2qux h ARG 99 N 0.56 0.59 -0.68 4.77 3.08 -1.48 -2.19 114.38 119.03 2qux h ARG 99 Ca 0.03 -0.35 -0.07 0.00 0.07 0.00 0.00 59.98 59.66 2qux h ARG 99 Cb 1.03 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 2qux h ARG 99 CO 0.10 0.96 0.16 -0.22 -1.07 0.00 0.00 179.97 179.90 2qux h LYS 100 N 0.46 1.08 -0.29 0.04 1.63 -1.25 -2.64 116.57 115.60 2qux h LYS 100 Ca 0.02 -0.25 -0.09 0.00 -0.85 0.00 0.00 60.65 59.48 2qux h LYS 100 Cb 1.05 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.53 2qux h LYS 100 CO 0.10 0.95 -0.17 1.03 -3.45 0.00 0.00 179.45 177.91 2qux h SER 101 N 1.02 0.65 -0.97 4.20 0.87 -1.14 -2.01 113.55 116.17 2qux h SER 101 Ca 0.21 -0.42 0.08 0.00 -1.23 0.00 0.00 61.79 60.43 2qux h SER 101 Cb 0.36 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.07 2qux h SER 101 CO 0.00 0.93 0.63 0.25 -0.53 0.00 0.00 176.83 178.11 2qux h LEU 102 N 0.36 0.96 0.14 2.23 5.85 -1.42 -2.19 115.31 121.24 2qux h LEU 102 Ca 0.06 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2qux h LEU 102 Cb 0.70 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2qux h LEU 102 CO 0.05 0.58 -0.07 0.22 -0.34 0.00 0.00 178.44 178.88 2qux h TYR 103 N 1.07 -0.17 -0.68 1.25 3.20 -1.38 -2.75 116.97 117.50 2qux h TYR 103 Ca 0.44 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.28 2qux h TYR 103 Cb 0.29 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 2qux h TYR 103 CO -0.00 0.12 0.31 -0.44 -1.64 0.00 0.00 178.16 176.51 2qux h ASP 104 N -0.47 0.89 -0.33 -2.11 3.32 -1.24 -0.22 116.42 116.26 2qux h ASP 104 Ca -0.02 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.78 2qux h ASP 104 Cb 0.37 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2qux h ASP 104 CO 0.03 0.77 -0.38 -0.07 -1.72 0.00 0.00 179.24 177.87 2qux h LEU 105 N 0.97 0.90 -0.84 1.55 3.38 -1.49 -1.37 115.31 118.40 2qux h LEU 105 Ca 0.24 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2qux h LEU 105 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2qux h LEU 105 CO -0.03 1.20 0.31 0.74 0.09 0.00 0.00 178.44 180.76 2qux h THR 106 N 0.62 1.26 -0.59 0.22 2.02 -1.25 0.37 112.91 115.56 2qux h THR 106 Ca 0.05 -0.81 0.01 0.00 0.77 0.00 0.00 66.41 66.42 2qux h THR 106 Cb 0.97 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2qux h THR 106 CO 0.09 0.33 0.39 0.50 0.37 0.00 0.00 175.52 177.20 2qux h LYS 107 N 1.13 0.76 -0.14 6.66 3.64 -0.97 -1.15 116.57 126.51 2qux h LYS 107 Ca 0.26 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2qux h LYS 107 Cb 0.21 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2qux h LYS 107 CO -0.02 0.50 0.01 1.03 -2.27 0.00 0.00 179.45 178.70 2qux h SER 108 N 0.79 0.24 -0.18 4.20 0.87 -1.06 -2.14 113.55 116.26 2qux h SER 108 Ca 0.22 -0.30 0.05 0.00 -1.23 0.00 0.00 61.79 60.53 2qux h SER 108 Cb -0.08 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 2qux h SER 108 CO -0.05 0.48 -0.13 0.25 -0.53 0.00 0.00 176.83 176.84 2qux h LEU 109 N -0.00 -0.43 -1.03 2.23 5.85 -0.13 -2.01 115.31 119.77 2qux h LEU 109 Ca 0.04 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 2qux h LEU 109 Cb 0.35 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2qux h LEU 109 CO 0.01 -0.17 -0.32 0.58 -0.34 0.00 0.00 178.44 178.19 2qux h VAL 110 N -0.14 1.27 0.00 1.05 2.07 -1.28 -2.72 116.25 116.50 2qux h VAL 110 Ca 0.11 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 2qux h VAL 110 Cb 0.30 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 2qux h VAL 110 CO -0.27 0.40 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 2qux h ALA 111 N 1.41 1.11 -2.74 1.67 0.00 -0.70 -3.43 119.26 116.59 2qux h ALA 111 Ca 0.03 -0.05 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 2qux h ALA 111 Cb 0.69 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.57 2qux h ALA 111 CO 0.05 0.06 0.46 0.95 0.00 0.00 0.00 179.25 180.78 2qux s THR 112 N -4.01 2.86 0.19 0.00 -4.23 -0.84 -4.95 115.64 104.66 2qux s THR 112 Ca -0.02 0.55 0.22 0.00 -1.18 0.00 0.00 61.69 61.25 2qux s THR 112 Cb 0.12 -3.23 0.19 0.00 1.34 0.00 0.00 72.50 70.92 2qux s THR 112 CO 0.52 -0.10 1.81 0.77 -0.54 0.00 0.00 174.62 177.08 2qux h SER 113 N 1.12 0.00 -0.42 3.99 4.64 -1.89 -2.85 113.55 118.16 2qux h SER 113 Ca -0.50 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2qux h SER 113 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2qux h SER 113 CO 0.56 0.28 0.22 1.56 -0.87 0.00 0.00 176.83 178.59 2qux h GLN 114 N 0.00 0.58 -0.18 4.77 4.20 -1.92 0.06 115.11 122.62 2qux h GLN 114 Ca -0.00 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 2qux h GLN 114 Cb 0.76 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2qux h GLN 114 CO 0.04 0.48 -0.32 0.28 -0.67 0.00 0.00 178.83 178.64 2qux h VAL 115 N 0.54 1.28 -0.45 -0.54 2.07 -1.77 -0.73 116.25 116.65 2qux h VAL 115 Ca 0.15 -1.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2qux h VAL 115 Cb 0.07 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2qux h VAL 115 CO -0.02 0.42 0.14 -0.08 0.02 0.00 0.00 177.57 178.05 2qux h GLU 116 N 0.32 0.69 -0.44 1.57 4.81 -1.38 -1.41 114.58 118.75 2qux h GLU 116 Ca 0.04 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2qux h GLU 116 Cb 0.72 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2qux h GLU 116 CO 0.06 0.67 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.44 2qux h ASP 117 N 0.58 0.79 -0.03 1.04 5.19 -0.78 0.11 116.42 123.32 2qux h ASP 117 Ca 0.14 -0.24 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 2qux h ASP 117 Cb 0.26 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.56 2qux h ASP 117 CO -0.00 0.93 0.02 0.25 -3.12 0.00 0.00 179.24 177.31 2qux h LEU 118 N 0.72 0.05 -0.03 1.55 5.85 -1.07 0.98 115.31 123.35 2qux h LEU 118 Ca 0.12 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2qux h LEU 118 Cb 0.61 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 2qux h LEU 118 CO 0.04 0.17 -0.03 0.58 -0.34 0.00 0.00 178.44 178.86 2qux h VAL 119 N -0.08 1.39 -0.01 1.05 2.07 -1.21 -0.61 116.25 118.85 2qux h VAL 119 Ca 0.01 -1.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.19 2qux h VAL 119 Cb 0.14 2.14 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2qux h VAL 119 CO -0.00 0.32 -0.49 0.58 0.02 0.00 0.00 177.57 178.00 2qux h VAL 120 N -0.40 1.46 -0.01 2.57 2.07 -1.04 -3.39 116.25 117.51 2qux h VAL 120 Ca 0.00 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.50 2qux h VAL 120 Cb 0.54 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2qux h VAL 120 CO 0.01 0.58 -0.20 0.59 0.02 0.00 0.00 177.57 178.57 2qux n ASN 121 N -4.30 1.05 -2.25 0.57 3.02 0.21 -5.01 115.26 108.55 2qux n ASN 121 Ca -0.10 -1.03 -0.19 0.00 -0.03 0.00 0.00 54.58 53.24 2qux n ASN 121 Cb 0.62 0.51 0.00 0.00 -0.61 0.00 0.00 39.78 40.31 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 -0.36 -2.05 -4.68 3.41 4.77 -0.24 -4.94 117.00 112.92 2qux n LEU 122 Ca 0.03 -0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.50 2qux n LEU 122 Cb 0.18 -2.64 -0.02 0.00 -2.33 0.00 0.00 43.42 38.60 2qux n LEU 122 CO 0.11 -0.07 0.86 -0.69 -1.33 0.00 0.00 177.39 176.27 2qux s VAL 123 N -2.97 4.69 0.65 4.08 1.01 -0.95 -4.92 120.40 121.99 2qux s VAL 123 Ca 0.08 1.99 -0.17 0.00 0.00 0.00 0.00 61.98 63.88 2qux s VAL 123 Cb -0.04 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 32.06 2qux s VAL 123 CO 0.10 -0.07 1.20 -2.84 0.00 0.00 0.00 175.10 173.50 2qux s PRO 124 N 2.51 2.67 0.83 2.72 0.02 -1.26 -3.43 135.00 139.06 2qux s PRO 124 Ca 0.48 1.78 -0.11 0.00 0.02 0.00 0.00 61.00 63.17 2qux s PRO 124 Cb -0.18 -1.90 0.09 0.00 0.02 0.00 0.00 34.50 32.54 2qux s PRO 124 CO 0.14 -1.43 1.09 -0.51 -0.33 0.00 0.00 177.00 175.96 2qux s LEU 125 N -4.50 2.59 0.00 -5.54 1.43 -1.26 -4.94 118.68 106.46 2qux s LEU 125 Ca 0.76 1.53 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 2qux s LEU 125 Cb -0.30 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 41.82 2qux s LEU 125 CO 0.38 -2.25 0.00 0.61 0.23 0.00 0.00 176.35 175.32 2qux n GLY 126 N -1.44 1.73 0.00 -3.19 0.00 -1.26 -5.20 105.19 95.83 2qux n GLY 126 Ca 0.08 -1.20 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