#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 0.00 -2.36 1.43 2.81 -1.26 -4.72 117.12 113.02 2qux n MET 0 Ca 0.00 0.43 -0.42 0.00 -1.81 0.00 0.00 57.70 55.90 2qux n MET 0 Cb 0.00 -1.35 -0.03 0.00 -0.71 0.00 0.00 33.22 31.13 2qux n MET 0 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2qux s SER 1 N -2.17 7.03 0.02 7.83 1.04 -1.26 -5.02 113.70 121.17 2qux s SER 1 Ca 0.00 2.13 -0.13 0.00 0.48 0.00 0.00 55.95 58.43 2qux s SER 1 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.48 2qux s SER 1 CO 0.00 -0.49 0.40 -0.54 0.98 0.00 0.00 173.24 173.59 2qux s LYS 2 N 0.78 3.85 0.10 4.02 1.02 -1.26 -4.97 119.74 123.29 2qux s LYS 2 Ca 0.59 0.32 0.03 0.00 0.02 0.00 0.00 55.97 56.93 2qux s LYS 2 Cb -0.32 -3.15 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2qux s LYS 2 CO 0.31 0.66 -0.09 0.95 -0.92 0.00 0.00 175.35 176.26 2qux s THR 3 N -1.17 0.88 -0.08 2.17 -4.23 -1.26 -0.64 115.64 111.30 2qux s THR 3 Ca 0.26 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 2qux s THR 3 Cb -0.16 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 72.21 2qux s THR 3 CO 0.14 -0.67 -0.09 -0.51 -0.54 0.00 0.00 174.62 172.95 2qux s ILE 4 N -2.88 0.98 -0.26 2.99 2.07 -0.90 -5.01 121.20 118.19 2qux s ILE 4 Ca 0.08 -0.33 -0.07 0.00 -1.41 0.00 0.00 60.65 58.93 2qux s ILE 4 Cb 0.00 -0.96 -0.01 0.00 0.13 0.00 0.00 42.46 41.61 2qux s ILE 4 CO -0.01 0.34 0.06 -0.69 -1.91 0.00 0.00 174.94 172.73 2qux s VAL 5 N 1.21 4.11 -0.21 4.00 1.01 -1.26 -1.32 120.40 127.94 2qux s VAL 5 Ca -0.05 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 2qux s VAL 5 Cb -0.14 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2qux s VAL 5 CO -0.02 0.25 0.29 -0.76 0.00 0.00 0.00 175.10 174.86 2qux s LEU 6 N 1.56 4.16 -0.54 3.92 1.43 -0.06 -4.94 118.68 124.21 2qux s LEU 6 Ca 0.05 0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 2qux s LEU 6 Cb -0.16 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.82 2qux s LEU 6 CO 0.03 0.01 0.56 -0.44 0.23 0.00 0.00 176.35 176.74 2qux s SER 7 N 0.92 6.18 -0.59 2.29 0.01 -1.26 -0.72 113.70 120.53 2qux s SER 7 Ca 0.15 -1.48 -0.17 0.00 1.31 0.00 0.00 55.95 55.76 2qux s SER 7 Cb -0.14 -2.25 0.12 0.00 0.21 0.00 0.00 66.02 63.97 2qux s SER 7 CO 0.06 -0.91 0.62 -0.69 0.41 0.00 0.00 173.24 172.73 2qux s VAL 8 N 2.09 5.06 0.00 3.43 1.01 -0.73 -4.92 120.40 126.34 2qux s VAL 8 Ca 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.71 2qux s VAL 8 Cb -0.26 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.70 2qux s VAL 8 CO 0.06 -1.01 0.00 0.61 0.00 0.00 0.00 175.10 174.76 2qux n GLY 9 N 5.19 1.44 0.40 4.51 0.00 -1.26 -1.66 105.19 113.81 2qux n GLY 9 Ca -0.09 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.91 -3.61 1.61 4.07 -1.26 -5.00 120.64 117.36 2qux n GLU 10 Ca 0.00 -2.27 -0.32 0.00 -0.06 0.00 0.00 57.16 54.50 2qux n GLU 10 Cb 0.00 -1.14 -0.05 0.00 -0.06 0.00 0.00 31.44 30.19 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 -1.98 3.74 -0.00 4.31 0.00 -0.66 -5.12 121.76 122.05 2qux s ALA 11 Ca 0.25 -0.47 0.06 0.00 0.00 0.00 0.00 51.96 51.81 2qux s ALA 11 Cb 0.24 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 2qux s ALA 11 CO -0.01 0.62 -0.20 0.95 0.00 0.00 0.00 175.76 177.12 2qux s THR 12 N -1.61 2.62 -0.17 0.00 -4.23 -1.26 -1.78 115.64 109.22 2qux s THR 12 Ca 0.40 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2qux s THR 12 Cb -0.12 -2.03 0.02 0.00 1.34 0.00 0.00 72.50 71.71 2qux s THR 12 CO 0.22 0.48 -0.17 -0.13 -0.54 0.00 0.00 174.62 174.49 2qux s ARG 13 N -0.98 2.62 -0.22 3.99 1.81 0.10 -4.98 118.95 121.29 2qux s ARG 13 Ca 0.12 -0.76 -0.13 0.00 -1.72 0.00 0.00 55.73 53.24 2qux s ARG 13 Cb -0.10 -2.40 -0.04 0.00 -0.45 0.00 0.00 34.95 31.95 2qux s ARG 13 CO 0.02 -0.26 0.27 0.99 -0.68 0.00 0.00 175.30 175.65 2qux s THR 14 N 1.36 5.29 -0.18 0.02 2.01 -1.26 -0.88 115.64 121.99 2qux s THR 14 Ca 0.04 0.44 -0.07 0.00 0.31 0.00 0.00 61.69 62.40 2qux s THR 14 Cb -0.14 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2qux s THR 14 CO -0.11 0.31 0.06 -0.76 -0.69 0.00 0.00 174.62 173.42 2qux s LEU 15 N 1.13 3.77 -0.14 4.42 1.43 -0.43 -4.22 118.68 124.64 2qux s LEU 15 Ca 0.13 0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 2qux s LEU 15 Cb -0.14 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2qux s LEU 15 CO 0.06 0.17 -0.03 -0.89 0.23 0.00 0.00 176.35 175.88 2qux s THR 16 N 0.42 3.97 -0.23 5.49 2.01 -0.13 -2.13 115.64 125.04 2qux s THR 16 Ca 0.03 -0.34 -0.28 0.00 0.31 0.00 0.00 61.69 61.41 2qux s THR 16 Cb -0.13 -2.73 -0.05 0.00 0.01 0.00 0.00 72.50 69.61 2qux s THR 16 CO 0.01 0.51 2.16 -0.70 -0.69 0.00 0.00 174.62 175.91 2qux s GLU 17 N 0.12 3.17 0.00 4.92 2.12 0.18 -1.67 118.70 127.55 2qux s GLU 17 Ca -0.00 1.96 0.23 0.00 0.36 0.00 0.00 54.97 57.52 2qux s GLU 17 Cb -0.13 -4.35 0.11 0.00 0.26 0.00 0.00 34.13 30.02 2qux s GLU 17 CO 0.03 -2.05 1.18 0.44 -0.54 0.00 0.00 175.26 174.31 2qux n ILE 18 N 7.66 0.00 -3.61 -3.70 -5.35 -0.33 -4.72 119.36 109.31 2qux n ILE 18 Ca 0.29 -0.34 -0.13 0.00 -0.27 0.00 0.00 62.75 62.30 2qux n ILE 18 Cb 0.45 1.29 -0.07 0.00 -1.74 0.00 0.00 39.64 39.57 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 -2.31 0.77 -0.49 6.28 0.74 -1.08 -4.96 119.66 118.62 2qux s GLN 19 Ca 0.22 0.69 0.06 0.00 0.05 0.00 0.00 55.36 56.39 2qux s GLN 19 Cb 0.19 0.37 0.19 0.00 1.10 0.00 0.00 33.01 34.86 2qux s GLN 19 CO 0.47 -0.14 0.65 0.45 -0.55 0.00 0.00 175.29 176.18 2qux n SER 20 N 2.09 -2.59 -2.46 6.67 2.88 -1.26 -1.71 113.62 117.24 2qux n SER 20 Ca -0.14 -2.83 -0.04 0.00 -1.33 0.00 0.00 58.87 54.53 2qux n SER 20 Cb 0.56 1.15 0.02 0.00 -0.75 0.00 0.00 64.21 65.19 2qux n SER 20 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qux n THR 21 N 2.70 0.00 -0.21 2.46 -2.24 -0.74 -5.00 114.28 111.26 2qux n THR 21 Ca 0.20 -0.29 -0.07 0.00 -2.27 0.00 0.00 64.05 61.62 2qux n THR 21 Cb 0.55 -1.20 0.08 0.00 -2.10 0.00 0.00 70.33 67.66 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 -0.24 0.98 0.00 6.98 0.00 -2.02 -3.37 119.26 121.59 2qux h ALA 22 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qux h ALA 22 Cb 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2qux h ALA 22 CO 0.06 0.64 -0.05 -0.44 0.00 0.00 0.00 179.25 179.47 2qux h ASP 23 N 0.97 0.00 -2.84 0.00 5.19 -1.96 -3.47 116.42 114.33 2qux h ASP 23 Ca 0.19 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 56.01 2qux h ASP 23 Cb 0.43 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.77 2qux h ASP 23 CO 0.01 0.24 -0.78 0.00 -3.12 0.00 0.00 179.24 175.59 2qux s ARG 24 N -1.30 1.53 0.02 3.56 1.70 -1.26 -3.57 118.95 119.63 2qux s ARG 24 Ca -0.01 -1.62 0.01 0.00 -0.47 0.00 0.00 55.73 53.64 2qux s ARG 24 Cb 0.00 -1.67 -0.04 0.00 -0.57 0.00 0.00 34.95 32.67 2qux s ARG 24 CO 0.02 0.33 0.04 -0.65 -1.08 0.00 0.00 175.30 173.96 2qux s GLN 25 N -3.13 2.88 -0.07 3.89 -0.21 -0.16 -1.79 119.66 121.07 2qux s GLN 25 Ca 0.24 -0.60 0.02 0.00 0.02 0.00 0.00 55.36 55.05 2qux s GLN 25 Cb -0.06 -2.73 0.01 0.00 1.00 0.00 0.00 33.01 31.23 2qux s GLN 25 CO 0.11 0.62 -0.13 0.42 -2.12 0.00 0.00 175.29 174.19 2qux s ILE 26 N -1.19 1.19 0.08 1.08 1.01 -0.70 -1.71 121.20 120.97 2qux s ILE 26 Ca 0.23 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.47 2qux s ILE 26 Cb -0.12 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 2qux s ILE 26 CO 0.14 0.37 -0.24 -0.36 0.00 0.00 0.00 174.94 174.84 2qux s PHE 27 N 0.72 2.38 -0.15 3.97 0.40 0.13 -1.19 117.98 124.24 2qux s PHE 27 Ca -0.13 -0.36 -0.10 0.00 -0.60 0.00 0.00 56.93 55.74 2qux s PHE 27 Cb -0.16 -1.35 0.05 0.00 0.51 0.00 0.00 43.02 42.07 2qux s PHE 27 CO 0.03 0.24 0.36 -2.00 0.70 0.00 0.00 175.22 174.56 2qux s GLU 28 N -1.63 0.37 -0.39 0.44 2.12 -0.67 -0.56 118.70 118.38 2qux s GLU 28 Ca 0.14 0.64 -0.29 0.00 0.36 0.00 0.00 54.97 55.82 2qux s GLU 28 Cb -0.10 0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.34 2qux s GLU 28 CO 0.05 -0.12 1.39 -2.00 -0.54 0.00 0.00 175.26 174.04 2qux s GLU 29 N 0.94 3.64 -1.33 4.30 2.12 -0.38 -0.96 118.70 127.03 2qux s GLU 29 Ca -0.06 1.00 -0.10 0.00 0.36 0.00 0.00 54.97 56.17 2qux s GLU 29 Cb -0.07 -4.00 0.13 0.00 0.26 0.00 0.00 34.13 30.45 2qux s GLU 29 CO -0.07 -1.48 2.06 1.63 -0.54 0.00 0.00 175.26 176.85 2qux n LYS 30 N 7.93 3.64 -4.00 4.30 5.02 -1.26 -4.39 118.16 129.41 2qux n LYS 30 Ca 0.16 -3.30 -0.14 0.00 -2.02 0.00 0.00 58.31 53.01 2qux n LYS 30 Cb 0.48 -2.94 -0.14 0.00 -0.02 0.00 0.00 35.03 32.41 2qux n LYS 30 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qux s VAL 31 N 0.70 0.20 0.00 -0.18 1.01 -1.26 -5.11 120.40 115.76 2qux s VAL 31 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.34 2qux s VAL 31 Cb 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.31 2qux s VAL 31 CO -0.03 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2qux n GLY 32 N 3.15 -1.22 3.74 4.51 0.00 -1.26 -4.87 105.19 109.24 2qux n GLY 32 Ca -0.14 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 2qux n GLY 32 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qux s PRO 33 N 0.00 1.39 0.17 1.61 0.04 -1.26 -4.98 135.00 131.97 2qux s PRO 33 Ca 0.00 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.71 2qux s PRO 33 Cb 0.00 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.75 2qux s PRO 33 CO 0.00 -2.12 1.45 -0.07 0.04 0.00 0.00 177.00 176.30 2qux h LEU 34 N -1.46 0.66 -9.83 -3.56 4.07 -2.00 -3.41 115.31 99.78 2qux h LEU 34 Ca -0.49 -0.39 -0.49 0.00 0.08 0.00 0.00 57.88 56.59 2qux h LEU 34 Cb 1.29 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.84 2qux h LEU 34 CO 0.56 1.13 0.42 0.54 -1.08 0.00 0.00 178.44 180.01 2qux s VAL 35 N -3.87 3.74 -0.82 1.22 0.11 -1.26 -3.91 120.40 115.61 2qux s VAL 35 Ca -0.08 1.63 0.00 0.00 -2.93 0.00 0.00 61.98 60.61 2qux s VAL 35 Cb 0.11 -3.99 0.00 0.00 -1.53 0.00 0.00 36.38 30.96 2qux s VAL 35 CO 0.85 0.30 0.00 0.61 -3.33 0.00 0.00 175.10 173.53 2qux n GLY 36 N 1.02 0.54 3.78 6.54 0.00 -1.26 -4.99 105.19 110.82 2qux n GLY 36 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2qux n GLY 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qux s ARG 37 N -3.56 4.18 0.25 1.61 0.52 -1.25 -4.46 118.95 116.24 2qux s ARG 37 Ca 0.00 1.51 -0.30 0.00 -0.52 0.00 0.00 55.73 56.42 2qux s ARG 37 Cb 0.00 -2.55 -0.10 0.00 0.52 0.00 0.00 34.95 32.81 2qux s ARG 37 CO 0.00 -0.13 1.47 -1.17 0.02 0.00 0.00 175.30 175.49 2qux s LEU 38 N -2.62 4.38 -0.07 2.53 2.96 -1.26 -4.75 118.68 119.85 2qux s LEU 38 Ca 0.57 2.72 0.00 0.00 -0.22 0.00 0.00 54.13 57.20 2qux s LEU 38 Cb -0.22 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 42.87 2qux s LEU 38 CO 0.28 -0.74 -0.04 -0.60 -1.32 0.00 0.00 176.35 173.92 2qux s ARG 39 N -0.35 1.01 -0.25 1.98 3.52 -0.97 -1.25 118.95 122.65 2qux s ARG 39 Ca 0.60 -0.10 -0.06 0.00 -0.13 0.00 0.00 55.73 56.04 2qux s ARG 39 Cb -0.43 -1.12 -0.02 0.00 -1.56 0.00 0.00 34.95 31.82 2qux s ARG 39 CO 0.44 -0.19 0.04 -1.17 -0.81 0.00 0.00 175.30 173.61 2qux s LEU 40 N 1.44 3.37 -0.09 -0.88 2.96 0.28 -1.05 118.68 124.71 2qux s LEU 40 Ca -0.02 -0.35 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2qux s LEU 40 Cb -0.13 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 2qux s LEU 40 CO -0.03 -0.06 0.00 -0.89 -1.32 0.00 0.00 176.35 174.05 2qux s THR 41 N 1.56 4.30 -0.01 3.68 2.01 -0.11 0.18 115.64 127.24 2qux s THR 41 Ca 0.06 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2qux s THR 41 Cb -0.15 -2.81 0.00 0.00 0.01 0.00 0.00 72.50 69.55 2qux s THR 41 CO 0.02 0.60 -0.05 0.00 -0.69 0.00 0.00 174.62 174.49 2qux s ALA 42 N -0.83 0.53 0.09 7.40 0.00 -0.69 -0.73 121.76 127.53 2qux s ALA 42 Ca 0.13 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 2qux s ALA 42 Cb -0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2qux s ALA 42 CO 0.02 0.09 0.13 -1.54 0.00 0.00 0.00 175.76 174.47 2qux s SER 43 N 0.11 0.22 -0.01 0.00 1.04 -0.32 -0.99 113.70 113.75 2qux s SER 43 Ca -0.01 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.62 2qux s SER 43 Cb -0.05 0.31 -0.00 0.00 0.10 0.00 0.00 66.02 66.38 2qux s SER 43 CO -0.00 -0.72 -0.08 -0.22 0.98 0.00 0.00 173.24 173.20 2qux s LEU 44 N -2.91 1.89 0.14 2.42 2.96 -1.23 -1.23 118.68 120.71 2qux s LEU 44 Ca 0.09 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2qux s LEU 44 Cb 0.06 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.28 2qux s LEU 44 CO -0.08 0.07 0.17 0.00 -1.32 0.00 0.00 176.35 175.20 2qux s ARG 45 N 0.02 1.01 0.38 1.98 1.70 -0.81 -4.92 118.95 118.31 2qux s ARG 45 Ca 0.00 -1.26 0.08 0.00 -0.47 0.00 0.00 55.73 54.08 2qux s ARG 45 Cb -0.06 0.31 -0.05 0.00 -0.57 0.00 0.00 34.95 34.59 2qux s ARG 45 CO -0.00 -0.33 0.17 -1.14 -1.08 0.00 0.00 175.30 172.92 2qux s GLN 46 N -3.99 2.29 0.79 3.89 0.74 -1.26 -0.38 119.66 121.74 2qux s GLN 46 Ca 0.18 -1.71 -0.11 0.00 0.05 0.00 0.00 55.36 53.76 2qux s GLN 46 Cb 0.05 -2.07 0.06 0.00 1.10 0.00 0.00 33.01 32.15 2qux s GLN 46 CO -0.01 -0.03 1.10 1.21 -0.55 0.00 0.00 175.29 177.01 2qux s ASN 47 N -3.89 4.58 0.09 6.67 3.84 0.30 -4.86 114.94 121.67 2qux s ASN 47 Ca 0.40 1.28 -0.24 0.00 0.21 0.00 0.00 52.86 54.51 2qux s ASN 47 Cb 0.01 -2.02 -0.15 0.00 -0.55 0.00 0.00 41.25 38.54 2qux s ASN 47 CO 0.23 -1.91 1.73 1.23 -2.79 0.00 0.00 177.10 175.58 2qux h GLY 48 N -1.05 -0.11 2.00 1.21 0.00 -2.00 -2.95 103.07 100.17 2qux h GLY 48 Ca -0.47 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2qux h GLY 48 CO 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 176.54 177.09 2qux h ALA 49 N 0.82 1.00 -4.96 3.60 0.00 -1.96 -3.47 119.26 114.29 2qux h ALA 49 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 2qux h ALA 49 Cb 0.09 0.00 0.09 0.00 0.00 0.00 0.00 17.79 17.97 2qux h ALA 49 CO 0.01 0.00 -0.64 1.63 0.00 0.00 0.00 179.25 180.26 2qux n LYS 50 N -2.39 -6.01 0.00 0.00 4.76 -1.11 -4.95 118.16 108.46 2qux n LYS 50 Ca -0.00 0.89 0.07 0.00 -2.87 0.00 0.00 58.31 56.40 2qux n LYS 50 Cb 0.13 -5.82 -0.02 0.00 -1.84 0.00 0.00 35.03 27.47 2qux n LYS 50 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qux n THR 51 N -4.70 0.00 -3.61 -0.18 -2.24 -1.26 -4.92 114.28 97.37 2qux n THR 51 Ca -0.07 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 2qux n THR 51 Cb 0.60 1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 69.89 2qux n THR 51 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qux s ALA 52 N -1.95 -1.83 0.17 6.98 0.00 -1.26 -0.79 121.76 123.08 2qux s ALA 52 Ca 0.10 1.88 0.02 0.00 0.00 0.00 0.00 51.96 53.96 2qux s ALA 52 Cb 0.12 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2qux s ALA 52 CO 0.43 -0.32 0.32 0.71 0.00 0.00 0.00 175.76 176.90 2qux s TYR 53 N 0.07 3.48 -0.26 0.00 2.02 0.38 -0.54 117.35 122.50 2qux s TYR 53 Ca -0.01 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 2qux s TYR 53 Cb -0.04 -1.71 0.07 0.00 -0.40 0.00 0.00 41.96 39.88 2qux s TYR 53 CO 0.01 0.47 -0.00 0.50 -1.57 0.00 0.00 175.55 174.96 2qux s ARG 54 N -3.31 1.31 -0.12 -0.62 6.06 0.49 -1.85 118.95 120.92 2qux s ARG 54 Ca 0.35 -1.05 -0.17 0.00 -2.50 0.00 0.00 55.73 52.36 2qux s ARG 54 Cb -0.11 -2.49 -0.04 0.00 0.06 0.00 0.00 34.95 32.36 2qux s ARG 54 CO 0.29 -0.72 0.45 0.08 -2.50 0.00 0.00 175.30 172.90 2qux s VAL 55 N 1.43 5.19 -0.08 7.11 1.01 -0.31 -1.93 120.40 132.83 2qux s VAL 55 Ca -0.00 0.90 0.05 0.00 0.00 0.00 0.00 61.98 62.92 2qux s VAL 55 Cb -0.18 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.40 2qux s VAL 55 CO -0.10 0.35 -0.23 0.20 0.00 0.00 0.00 175.10 175.31 2qux s ASN 56 N 0.52 2.91 0.02 3.32 -0.87 -0.37 -0.86 114.94 119.61 2qux s ASN 56 Ca 0.25 -0.51 0.05 0.00 -1.57 0.00 0.00 52.86 51.08 2qux s ASN 56 Cb -0.15 -1.09 -0.02 0.00 -0.02 0.00 0.00 41.25 39.97 2qux s ASN 56 CO 0.10 0.18 -0.15 -0.76 -2.57 0.00 0.00 177.10 173.90 2qux s LEU 57 N 0.15 2.11 -0.10 0.60 1.43 -0.82 -1.17 118.68 120.89 2qux s LEU 57 Ca -0.12 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2qux s LEU 57 Cb -0.16 -0.72 0.05 0.00 0.03 0.00 0.00 46.19 45.39 2qux s LEU 57 CO 0.06 0.12 0.20 -0.75 0.23 0.00 0.00 176.35 176.21 2qux s LYS 58 N -0.80 0.11 -0.28 1.70 2.20 0.09 0.35 119.74 123.12 2qux s LYS 58 Ca 0.04 0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 56.15 2qux s LYS 58 Cb -0.07 -0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.09 2qux s LYS 58 CO 0.01 -0.24 0.05 -1.17 -0.36 0.00 0.00 175.35 173.64 2qux s LEU 59 N 1.86 3.63 -0.25 5.43 2.96 -0.55 -0.94 118.68 130.83 2qux s LEU 59 Ca -0.03 -0.61 -0.08 0.00 -0.22 0.00 0.00 54.13 53.20 2qux s LEU 59 Cb -0.12 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 2qux s LEU 59 CO -0.07 -0.14 0.08 -1.81 -1.32 0.00 0.00 176.35 173.09 2qux s ASP 60 N 1.50 5.23 -0.27 3.68 1.01 -0.22 -1.62 116.67 125.99 2qux s ASP 60 Ca 0.03 -0.18 0.01 0.00 0.71 0.00 0.00 52.55 53.13 2qux s ASP 60 Cb -0.16 -1.94 0.06 0.00 1.01 0.00 0.00 42.92 41.88 2qux s ASP 60 CO 0.01 -0.03 -0.08 -1.58 0.21 0.00 0.00 175.17 173.71 2qux s GLN 61 N 1.59 2.31 0.26 8.23 0.74 0.64 -2.29 119.66 131.14 2qux s GLN 61 Ca 0.06 -1.32 -0.17 0.00 0.05 0.00 0.00 55.36 53.99 2qux s GLN 61 Cb -0.15 -2.98 -0.08 0.00 1.10 0.00 0.00 33.01 30.89 2qux s GLN 61 CO 0.04 -0.58 0.71 0.00 -0.55 0.00 0.00 175.29 174.91 2qux s ALA 62 N 1.15 3.39 -0.31 1.58 0.00 -1.26 -0.50 121.76 125.81 2qux s ALA 62 Ca -0.08 0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 2qux s ALA 62 Cb -0.20 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 2qux s ALA 62 CO -0.04 0.35 0.20 0.34 0.00 0.00 0.00 175.76 176.61 2qux s ASP 63 N -1.96 5.93 -0.00 0.00 2.15 0.16 -4.94 116.67 118.00 2qux s ASP 63 Ca 0.48 -0.29 0.08 0.00 0.43 0.00 0.00 52.55 53.25 2qux s ASP 63 Cb -0.13 -2.10 -0.02 0.00 -0.30 0.00 0.00 42.92 40.36 2qux s ASP 63 CO 0.19 -0.16 -0.25 -0.69 -0.17 0.00 0.00 175.17 174.09 2qux s VAL 64 N 1.71 2.17 -0.34 1.11 1.01 -1.26 -1.71 120.40 123.09 2qux s VAL 64 Ca 0.06 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2qux s VAL 64 Cb -0.17 -1.79 0.10 0.00 0.00 0.00 0.00 36.38 34.53 2qux s VAL 64 CO 0.10 0.51 0.08 0.54 0.00 0.00 0.00 175.10 176.33 2qux s VAL 65 N -0.68 1.79 0.00 2.92 0.11 -1.14 -4.96 120.40 118.44 2qux s VAL 65 Ca 0.11 -2.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.10 2qux s VAL 65 Cb -0.10 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.42 2qux s VAL 65 CO 0.00 -0.64 0.00 -0.24 -3.33 0.00 0.00 175.10 170.89 2qux n SER 67 N 4.40 -1.74 0.00 3.54 2.88 -1.26 -3.44 113.62 118.00 2qux n SER 67 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2qux n SER 67 Cb 0.42 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2qux n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qux n GLY 68 N 0.39 1.48 2.88 0.46 0.00 -1.26 -4.43 105.19 104.70 2qux n GLY 68 Ca 0.00 0.29 -0.19 0.00 0.00 0.00 0.00 46.02 46.12 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 1.35 -0.12 0.99 0.20 -1.26 -5.13 118.68 114.71 2qux s LEU 75 Ca 0.00 -0.09 -0.29 0.00 0.69 0.00 0.00 54.13 54.43 2qux s LEU 75 Cb 0.00 -0.36 -0.03 0.00 -0.43 0.00 0.00 46.19 45.37 2qux s LEU 75 CO 0.00 -0.06 1.45 -2.16 -0.29 0.00 0.00 176.35 175.29 2qux s PRO 76 N 0.84 4.18 -0.04 0.98 0.04 -1.26 -4.88 135.00 134.86 2qux s PRO 76 Ca -0.10 1.88 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 2qux s PRO 76 Cb -0.13 -3.88 0.03 0.00 0.04 0.00 0.00 34.50 30.56 2qux s PRO 76 CO -0.00 -0.81 0.00 0.21 0.04 0.00 0.00 177.00 176.44 2qux s LYS 77 N 3.81 0.41 -0.33 4.56 2.20 -1.22 -4.98 119.74 124.18 2qux s LYS 77 Ca 0.64 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 56.05 2qux s LYS 77 Cb -0.27 -0.67 0.01 0.00 -1.51 0.00 0.00 37.83 35.39 2qux s LYS 77 CO 0.22 -0.20 1.26 0.08 -0.36 0.00 0.00 175.35 176.35 2qux s VAL 78 N 1.41 4.19 -0.10 4.02 1.01 -1.26 -2.87 120.40 126.80 2qux s VAL 78 Ca -0.04 1.32 0.14 0.00 0.00 0.00 0.00 61.98 63.41 2qux s VAL 78 Cb -0.13 -4.25 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 2qux s VAL 78 CO -0.03 -0.56 0.47 -2.11 0.00 0.00 0.00 175.10 172.88 2qux n ARG 79 N 7.37 0.65 -3.68 2.72 1.85 -0.70 -4.97 116.66 119.89 2qux n ARG 79 Ca 0.14 0.20 -0.10 0.00 -1.00 0.00 0.00 57.85 57.09 2qux n ARG 79 Cb 0.47 -1.71 -0.04 0.00 -1.05 0.00 0.00 32.46 30.14 2qux n ARG 79 CO 0.00 0.00 0.00 1.52 -0.01 0.00 0.00 177.63 179.14 2qux s TYR 80 N -2.57 -0.18 -0.01 2.89 -0.85 -1.24 -5.03 117.35 110.35 2qux s TYR 80 Ca -0.06 -0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 2qux s TYR 80 Cb 0.07 0.38 -0.00 0.00 0.38 0.00 0.00 41.96 42.79 2qux s TYR 80 CO 0.83 -0.86 -0.08 0.95 -1.52 0.00 0.00 175.55 174.86 2qux s THR 81 N -3.85 0.67 0.08 -3.49 -4.23 -1.26 0.35 115.64 103.92 2qux s THR 81 Ca 0.07 -0.35 0.10 0.00 -1.18 0.00 0.00 61.69 60.33 2qux s THR 81 Cb -0.00 -0.57 -0.03 0.00 1.34 0.00 0.00 72.50 73.23 2qux s THR 81 CO -0.06 0.20 -0.27 -1.10 -0.54 0.00 0.00 174.62 172.85 2qux s GLN 82 N -0.11 1.63 0.01 3.99 -0.21 0.34 -4.97 119.66 120.34 2qux s GLN 82 Ca 0.02 -1.21 0.02 0.00 0.02 0.00 0.00 55.36 54.21 2qux s GLN 82 Cb -0.04 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 2qux s GLN 82 CO -0.00 0.48 -0.07 0.08 -2.12 0.00 0.00 175.29 173.66 2qux s VAL 83 N -0.91 0.53 -0.21 1.09 1.01 -1.26 -0.26 120.40 120.38 2qux s VAL 83 Ca 0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2qux s VAL 83 Cb -0.10 -0.48 0.06 0.00 0.00 0.00 0.00 36.38 35.86 2qux s VAL 83 CO 0.04 0.04 -0.01 0.86 0.00 0.00 0.00 175.10 176.02 2qux s TRP 84 N -0.40 1.69 0.11 5.22 -0.11 -0.64 -5.00 118.94 119.82 2qux s TRP 84 Ca 0.00 -1.28 0.06 0.00 1.22 0.00 0.00 56.10 56.10 2qux s TRP 84 Cb -0.04 -1.30 -0.04 0.00 -1.50 0.00 0.00 33.47 30.59 2qux s TRP 84 CO -0.00 -0.68 -0.02 -1.54 -4.62 0.00 0.00 176.95 170.08 2qux s SER 85 N 1.63 4.85 0.12 5.86 1.04 -1.26 -1.48 113.70 124.47 2qux s SER 85 Ca -0.03 -0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.25 2qux s SER 85 Cb -0.18 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.81 2qux s SER 85 CO -0.07 0.16 -0.25 -1.00 0.98 0.00 0.00 173.24 173.06 2qux s HIS 86 N -1.35 2.35 -0.25 5.02 0.09 0.15 -4.97 115.29 116.34 2qux s HIS 86 Ca 0.25 -0.36 -0.03 0.00 -0.00 0.00 0.00 55.06 54.91 2qux s HIS 86 Cb -0.11 -1.28 0.10 0.00 -0.00 0.00 0.00 32.58 31.29 2qux s HIS 86 CO 0.17 0.33 0.18 0.34 -0.00 0.00 0.00 174.74 175.76 2qux s ASP 87 N -2.00 2.44 -0.22 1.40 3.68 -1.26 -1.94 116.67 118.76 2qux s ASP 87 Ca 0.14 -0.81 -0.06 0.00 2.13 0.00 0.00 52.55 53.95 2qux s ASP 87 Cb -0.10 0.01 -0.03 0.00 -1.45 0.00 0.00 42.92 41.35 2qux s ASP 87 CO 0.06 -0.39 0.04 -0.69 0.13 0.00 0.00 175.17 174.33 2qux s VAL 88 N 2.21 4.24 -0.38 1.11 1.01 -0.04 -4.97 120.40 123.57 2qux s VAL 88 Ca 0.07 -0.21 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 2qux s VAL 88 Cb -0.16 -2.95 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2qux s VAL 88 CO -0.25 0.39 0.36 -0.89 0.00 0.00 0.00 175.10 174.71 2qux s THR 89 N 1.23 5.17 -0.18 3.92 2.01 -1.26 -1.16 115.64 125.37 2qux s THR 89 Ca 0.04 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 2qux s THR 89 Cb -0.15 -3.91 -0.00 0.00 0.01 0.00 0.00 72.50 68.45 2qux s THR 89 CO 0.03 -0.25 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.97 2qux s ILE 90 N 1.96 2.91 -0.01 1.82 1.01 -0.77 -5.00 121.20 123.11 2qux s ILE 90 Ca 0.10 -0.67 -0.23 0.00 0.00 0.00 0.00 60.65 59.85 2qux s ILE 90 Cb -0.17 -2.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2qux s ILE 90 CO 0.12 0.48 0.68 -0.69 0.00 0.00 0.00 174.94 175.53 2qux s VAL 91 N 1.10 4.91 0.19 2.92 1.01 -1.26 -0.47 120.40 128.80 2qux s VAL 91 Ca 0.00 1.42 -0.08 0.00 0.00 0.00 0.00 61.98 63.32 2qux s VAL 91 Cb -0.14 -4.02 0.07 0.00 0.00 0.00 0.00 36.38 32.29 2qux s VAL 91 CO -0.03 0.34 1.65 0.00 0.00 0.00 0.00 175.10 177.07 2qux h ALA 92 N 6.06 0.86 -0.31 5.51 0.00 -1.32 -2.63 119.26 127.43 2qux h ALA 92 Ca -0.43 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2qux h ALA 92 Cb 1.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2qux h ALA 92 CO 0.72 0.66 0.00 0.27 0.00 0.00 0.00 179.25 180.91 2qux n ASN 93 N -4.18 2.58 -4.58 0.00 0.23 -1.26 -4.96 115.26 103.10 2qux n ASN 93 Ca 0.03 -2.23 -0.29 0.00 -0.53 0.00 0.00 54.58 51.56 2qux n ASN 93 Cb 0.35 -0.42 0.16 0.00 -2.08 0.00 0.00 39.78 37.79 2qux n ASN 93 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2qux s SER 94 N -0.67 2.95 0.41 0.53 1.04 -0.99 -5.06 113.70 111.91 2qux s SER 94 Ca 0.25 0.89 -0.10 0.00 0.48 0.00 0.00 55.95 57.46 2qux s SER 94 Cb 0.16 -1.39 -0.06 0.00 0.10 0.00 0.00 66.02 64.82 2qux s SER 94 CO 0.11 -2.89 0.78 0.42 0.98 0.00 0.00 173.24 172.64 2qux s THR 95 N -3.24 4.78 0.28 2.02 -4.23 -1.26 -4.99 115.64 109.00 2qux s THR 95 Ca 0.66 0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 61.78 2qux s THR 95 Cb -0.14 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.13 2qux s THR 95 CO 0.54 -0.53 1.83 -0.08 -0.54 0.00 0.00 174.62 175.84 2qux h GLU 96 N 1.22 0.85 -0.47 3.99 4.81 -1.99 -2.99 114.58 119.99 2qux h GLU 96 Ca -0.47 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 58.63 2qux h GLU 96 Cb 1.19 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 2qux h GLU 96 CO 0.64 0.75 0.24 0.00 -0.73 0.00 0.00 179.01 179.90 2qux h ALA 97 N 1.35 0.60 -0.91 2.92 0.00 -1.98 0.16 119.26 121.39 2qux h ALA 97 Ca 0.18 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2qux h ALA 97 Cb 0.27 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 2qux h ALA 97 CO -0.01 -0.11 0.60 0.66 0.00 0.00 0.00 179.25 180.40 2qux h SER 98 N 0.48 1.01 -0.15 0.00 4.64 -1.94 0.45 113.55 118.03 2qux h SER 98 Ca 0.20 -0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 2qux h SER 98 Cb 0.10 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2qux h SER 98 CO -0.14 0.70 -0.57 0.03 -0.87 0.00 0.00 176.83 175.98 2qux h ARG 99 N 1.18 0.66 -0.79 4.77 3.08 -1.34 -2.16 114.38 119.78 2qux h ARG 99 Ca 0.36 -0.50 0.03 0.00 0.07 0.00 0.00 59.98 59.93 2qux h ARG 99 Cb -0.04 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 2qux h ARG 99 CO -0.10 1.12 0.50 -0.22 -1.07 0.00 0.00 179.97 180.20 2qux h LYS 100 N 0.33 0.95 -0.42 0.04 1.63 -0.53 -1.87 116.57 116.71 2qux h LYS 100 Ca -0.03 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2qux h LYS 100 Cb 1.20 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.60 2qux h LYS 100 CO 0.12 0.63 0.24 1.03 -3.45 0.00 0.00 179.45 178.02 2qux h SER 101 N 0.98 0.51 -0.47 4.20 0.87 -0.83 0.23 113.55 119.03 2qux h SER 101 Ca 0.31 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2qux h SER 101 Cb 0.01 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2qux h SER 101 CO -0.11 0.43 0.28 0.25 -0.53 0.00 0.00 176.83 177.15 2qux h LEU 102 N 0.55 0.58 0.37 2.23 5.85 -1.26 0.37 115.31 124.00 2qux h LEU 102 Ca 0.15 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2qux h LEU 102 Cb 0.02 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 2qux h LEU 102 CO -0.03 0.47 -0.23 0.22 -0.34 0.00 0.00 178.44 178.54 2qux h TYR 103 N 0.63 -0.60 -0.90 1.25 3.20 -1.19 -0.82 116.97 118.55 2qux h TYR 103 Ca 0.17 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.10 2qux h TYR 103 Cb 0.01 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.43 2qux h TYR 103 CO -0.03 -0.36 0.58 -0.44 -1.64 0.00 0.00 178.16 176.28 2qux h ASP 104 N -0.58 0.88 0.18 -2.11 3.32 -0.31 -0.23 116.42 117.57 2qux h ASP 104 Ca -0.04 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.83 2qux h ASP 104 Cb 0.48 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 2qux h ASP 104 CO 0.04 0.55 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.31 2qux h LEU 105 N 0.99 0.57 -0.36 1.55 3.38 -0.83 -2.34 115.31 118.28 2qux h LEU 105 Ca 0.39 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2qux h LEU 105 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qux h LEU 105 CO -0.15 1.13 -0.14 0.74 0.09 0.00 0.00 178.44 180.11 2qux h THR 106 N 0.33 1.28 -0.87 0.22 2.02 -0.85 -0.86 112.91 114.18 2qux h THR 106 Ca -0.03 -1.24 0.10 0.00 0.77 0.00 0.00 66.41 66.00 2qux h THR 106 Cb 1.32 1.34 -0.08 0.00 -1.74 0.00 0.00 68.15 69.00 2qux h THR 106 CO 0.13 0.41 0.51 0.50 0.37 0.00 0.00 175.52 177.44 2qux h LYS 107 N 0.51 0.82 -0.02 6.66 3.64 -1.04 -0.40 116.57 126.73 2qux h LYS 107 Ca 0.08 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2qux h LYS 107 Cb 0.67 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2qux h LYS 107 CO 0.05 0.54 -0.01 1.03 -2.27 0.00 0.00 179.45 178.79 2qux h SER 108 N 0.85 0.05 -0.16 4.20 0.87 -1.34 -2.60 113.55 115.42 2qux h SER 108 Ca 0.42 -0.38 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 2qux h SER 108 Cb 0.38 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 2qux h SER 108 CO -0.25 0.42 -0.15 0.25 -0.53 0.00 0.00 176.83 176.57 2qux h LEU 109 N -0.33 -0.49 -0.96 2.23 5.85 -0.88 -1.93 115.31 118.80 2qux h LEU 109 Ca 0.01 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2qux h LEU 109 Cb 0.40 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2qux h LEU 109 CO 0.00 -0.20 0.41 0.58 -0.34 0.00 0.00 178.44 178.90 2qux h VAL 110 N -0.18 1.25 0.00 1.05 2.07 -1.17 -2.70 116.25 116.57 2qux h VAL 110 Ca 0.11 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2qux h VAL 110 Cb 0.33 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2qux h VAL 110 CO -0.27 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2qux n ALA 111 N -2.42 1.86 -1.77 1.67 0.00 -0.95 -4.59 120.51 114.31 2qux n ALA 111 Ca 0.08 -0.03 -0.37 0.00 0.00 0.00 0.00 53.44 53.12 2qux n ALA 111 Cb 0.12 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.07 3.03 0.10 0.00 -4.23 -0.77 -4.93 115.64 105.76 2qux s THR 112 Ca 0.08 0.80 0.32 0.00 -1.18 0.00 0.00 61.69 61.71 2qux s THR 112 Cb 0.12 -3.42 0.37 0.00 1.34 0.00 0.00 72.50 70.92 2qux s THR 112 CO 0.38 0.01 1.96 0.77 -0.54 0.00 0.00 174.62 177.20 2qux h SER 113 N 2.16 0.00 -0.30 3.99 4.64 -1.89 -2.41 113.55 119.75 2qux h SER 113 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2qux h SER 113 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2qux h SER 113 CO 0.61 0.02 0.16 1.56 -0.87 0.00 0.00 176.83 178.31 2qux h GLN 114 N 0.00 0.42 -0.50 4.77 4.20 -1.92 -1.57 115.11 120.52 2qux h GLN 114 Ca -0.00 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 2qux h GLN 114 Cb 0.54 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2qux h GLN 114 CO 0.00 0.37 0.01 0.28 -0.67 0.00 0.00 178.83 178.82 2qux h VAL 115 N 0.37 1.26 -0.86 -0.54 2.07 -1.70 -0.72 116.25 116.14 2qux h VAL 115 Ca 0.11 -1.07 0.12 0.00 0.82 0.00 0.00 66.70 66.68 2qux h VAL 115 Cb 0.07 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 2qux h VAL 115 CO -0.02 0.37 0.48 -0.08 0.02 0.00 0.00 177.57 178.35 2qux h GLU 116 N 0.74 0.73 0.02 1.57 4.81 -1.39 -0.93 114.58 120.12 2qux h GLU 116 Ca 0.14 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 2qux h GLU 116 Cb 0.51 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2qux h GLU 116 CO 0.02 0.49 -0.93 0.22 -0.73 0.00 0.00 179.01 178.08 2qux h ASP 117 N 0.76 0.26 -0.41 1.04 3.58 -1.07 0.04 116.42 120.62 2qux h ASP 117 Ca 0.43 -0.22 0.02 0.00 0.42 0.00 0.00 57.03 57.68 2qux h ASP 117 Cb 0.49 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 2qux h ASP 117 CO -0.29 1.05 0.23 0.25 -2.88 0.00 0.00 179.24 177.60 2qux h LEU 118 N 0.10 0.37 0.14 2.28 5.85 -0.50 0.18 115.31 123.72 2qux h LEU 118 Ca -0.05 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.47 2qux h LEU 118 Cb 1.58 -0.07 0.02 0.00 0.37 0.00 0.00 40.66 42.56 2qux h LEU 118 CO 0.14 0.26 -0.94 0.58 -0.34 0.00 0.00 178.44 178.15 2qux h VAL 119 N 0.47 1.43 0.18 1.05 2.07 -1.12 -1.46 116.25 118.86 2qux h VAL 119 Ca 0.17 -2.52 -0.30 0.00 0.82 0.00 0.00 66.70 64.87 2qux h VAL 119 Cb 0.03 3.12 0.02 0.00 -1.52 0.00 0.00 31.29 32.93 2qux h VAL 119 CO -0.09 0.72 -1.33 0.58 0.02 0.00 0.00 177.57 177.46 2qux h VAL 120 N -0.35 1.42 -0.00 2.57 2.07 -1.08 -3.39 116.25 117.48 2qux h VAL 120 Ca -0.17 -2.93 0.00 0.00 0.82 0.00 0.00 66.70 64.41 2qux h VAL 120 Cb 1.68 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 34.43 2qux h VAL 120 CO 0.14 0.86 -0.01 0.59 0.02 0.00 0.00 177.57 179.18 2qux n ASN 121 N -3.60 1.03 -2.76 0.57 3.02 0.52 -5.01 115.26 109.03 2qux n ASN 121 Ca -0.12 -1.01 -0.22 0.00 -0.03 0.00 0.00 54.58 53.20 2qux n ASN 121 Cb 1.06 0.12 0.02 0.00 -0.61 0.00 0.00 39.78 40.36 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 -0.03 -2.44 -4.49 3.41 4.77 -0.55 -4.94 117.00 112.74 2qux n LEU 122 Ca 0.01 -0.20 -0.43 0.00 -0.03 0.00 0.00 56.01 55.36 2qux n LEU 122 Cb 0.04 -2.94 -0.08 0.00 -2.33 0.00 0.00 43.42 38.12 2qux n LEU 122 CO 0.01 0.08 0.24 -0.69 -1.33 0.00 0.00 177.39 175.71 2qux s VAL 123 N -3.13 4.96 0.75 4.08 1.01 -0.96 -4.93 120.40 122.18 2qux s VAL 123 Ca 0.20 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.82 2qux s VAL 123 Cb -0.09 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2qux s VAL 123 CO 0.25 -0.54 1.13 -2.65 0.00 0.00 0.00 175.10 173.28 2qux n PRO 124 N 5.92 0.47 -1.03 2.72 -0.02 -1.26 -3.18 135.00 138.62 2qux n PRO 124 Ca -0.05 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.35 2qux n PRO 124 Cb 0.47 -2.37 0.13 0.00 -0.02 0.00 0.00 33.50 31.71 2qux n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qux s LEU 125 N -4.45 2.80 0.00 2.45 1.43 -1.26 -4.93 118.68 114.71 2qux s LEU 125 Ca 0.75 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.75 2qux s LEU 125 Cb -0.33 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.47 2qux s LEU 125 CO 0.49 -2.55 0.00 0.61 0.23 0.00 0.00 176.35 175.12 2qux n GLY 126 N -0.64 2.16 0.00 -3.19 0.00 -1.26 -5.18 105.19 97.07 2qux n GLY 126 Ca 0.10 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2qux n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86