#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1snq s LEU 7 N 0.00 1.85 -0.06 -5.58 1.43 -1.26 -5.08 118.68 109.98 1snq s LEU 7 Ca 0.00 1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 54.09 1snq s LEU 7 Cb 0.00 -3.37 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1snq s LEU 7 CO 0.00 -2.80 0.25 -1.38 0.23 0.00 0.00 176.35 172.65 1snq s HIS 8 N -3.12 -0.20 0.16 0.29 -3.43 -1.26 -5.14 115.29 102.59 1snq s HIS 8 Ca 0.64 0.43 -0.13 0.00 -0.80 0.00 0.00 55.06 55.20 1snq s HIS 8 Cb -0.17 0.07 -0.07 0.00 -1.43 0.00 0.00 32.58 30.98 1snq s HIS 8 CO 0.55 -0.23 0.54 0.15 -2.00 0.00 0.00 174.74 173.76 1snq s LYS 9 N -0.51 3.94 0.02 -0.38 1.02 -1.26 -4.46 119.74 118.11 1snq s LYS 9 Ca -0.06 0.44 0.03 0.00 0.02 0.00 0.00 55.97 56.40 1snq s LYS 9 Cb -0.04 -2.88 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 1snq s LYS 9 CO 0.01 0.45 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.59 1snq s GLU 10 N -2.11 0.72 0.55 1.68 2.02 -0.47 -4.95 118.70 116.15 1snq s GLU 10 Ca 0.39 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 54.66 1snq s GLU 10 Cb -0.14 -0.67 -0.05 0.00 0.10 0.00 0.00 34.13 33.36 1snq s GLU 10 CO 0.19 0.17 1.12 -1.25 0.02 0.00 0.00 175.26 175.52 1snq s PRO 11 N -0.76 3.32 0.17 0.39 0.04 -1.26 -0.14 135.00 136.76 1snq s PRO 11 Ca 0.00 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 1snq s PRO 11 Cb -0.06 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1snq s PRO 11 CO 0.00 -0.87 0.35 0.00 0.04 0.00 0.00 177.00 176.52 1snq s ALA 12 N -1.84 -0.27 -0.07 8.56 0.00 -0.94 -4.73 121.76 122.48 1snq s ALA 12 Ca 0.72 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.02 1snq s ALA 12 Cb -0.23 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.73 1snq s ALA 12 CO 0.28 -0.68 -0.18 0.99 0.00 0.00 0.00 175.76 176.16 1snq s THR 13 N -3.94 1.59 0.17 0.00 2.01 -0.95 -4.26 115.64 110.27 1snq s THR 13 Ca 0.14 -0.76 -0.31 0.00 0.31 0.00 0.00 61.69 61.08 1snq s THR 13 Cb 0.02 -1.39 -0.09 0.00 0.01 0.00 0.00 72.50 71.05 1snq s THR 13 CO -0.01 0.46 1.47 -0.22 -0.69 0.00 0.00 174.62 175.62 1snq s LEU 14 N 0.38 4.38 -0.15 4.42 2.96 -1.26 -1.01 118.68 128.40 1snq s LEU 14 Ca -0.14 2.53 -0.12 0.00 -0.22 0.00 0.00 54.13 56.19 1snq s LEU 14 Cb -0.16 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.87 1snq s LEU 14 CO 0.05 -0.73 -0.25 -0.38 -1.32 0.00 0.00 176.35 173.72 1snq n ILE 15 N 3.49 1.27 -3.64 6.68 5.41 0.00 -4.87 119.36 127.70 1snq n ILE 15 Ca 0.11 -0.02 -0.07 0.00 1.00 0.00 0.00 62.75 63.77 1snq n ILE 15 Cb 0.40 -1.96 -0.07 0.00 -0.71 0.00 0.00 39.64 37.30 1snq n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1snq s LYS 16 N -2.52 0.67 -0.06 0.38 2.20 -0.70 -5.02 119.74 114.69 1snq s LYS 16 Ca -0.24 1.14 -0.25 0.00 -0.36 0.00 0.00 55.97 56.26 1snq s LYS 16 Cb 0.07 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.49 1snq s LYS 16 CO 0.33 -0.14 0.76 0.00 -0.36 0.00 0.00 175.35 175.94 1snq s ALA 17 N 1.55 3.31 -0.21 3.13 0.00 -1.26 0.16 121.76 128.43 1snq s ALA 17 Ca -0.09 0.21 -0.17 0.00 0.00 0.00 0.00 51.96 51.91 1snq s ALA 17 Cb -0.05 -3.05 -0.12 0.00 0.00 0.00 0.00 23.12 19.90 1snq s ALA 17 CO -0.19 -0.15 -0.11 -0.89 0.00 0.00 0.00 175.76 174.43 1snq n ILE 18 N 3.84 1.51 -2.46 0.00 5.41 -0.75 -4.93 119.36 121.98 1snq n ILE 18 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1snq n ILE 18 Cb 0.51 -2.10 0.00 0.00 -0.71 0.00 0.00 39.64 37.34 1snq n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1snq n ASP 19 N -4.41 0.00 -0.30 4.38 5.75 -0.76 -4.98 116.55 116.22 1snq n ASP 19 Ca -0.32 -0.36 0.11 0.00 -0.01 0.00 0.00 54.79 54.21 1snq n ASP 19 Cb 0.65 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 41.01 1snq n ASP 19 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1snq h GLY 20 N 0.00 1.47 -0.34 6.12 0.00 -1.83 -3.19 103.07 105.30 1snq h GLY 20 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1snq h GLY 20 CO 0.00 -0.18 0.00 2.09 0.00 0.00 0.00 176.54 178.45 1snq n ASP 21 N -4.98 2.28 -3.95 0.19 5.68 -1.26 -4.79 116.55 109.72 1snq n ASP 21 Ca 0.20 -2.07 -0.20 0.00 -0.50 0.00 0.00 54.79 52.21 1snq n ASP 21 Cb 0.57 -0.09 -0.16 0.00 -1.14 0.00 0.00 41.12 40.30 1snq n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1snq s THR 22 N -1.13 0.69 0.01 2.12 2.01 -1.21 -0.63 115.64 117.50 1snq s THR 22 Ca 0.08 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1snq s THR 22 Cb 0.05 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1snq s THR 22 CO 0.04 0.24 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.47 1snq s VAL 23 N 0.60 0.39 -0.24 3.82 1.01 -0.62 -1.80 120.40 123.56 1snq s VAL 23 Ca -0.09 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1snq s VAL 23 Cb -0.12 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1snq s VAL 23 CO 0.01 -0.10 0.05 -0.75 0.00 0.00 0.00 175.10 174.32 1snq s LYS 24 N -0.66 3.66 0.24 2.72 2.20 0.12 0.22 119.74 128.24 1snq s LYS 24 Ca -0.03 -0.48 0.05 0.00 -0.36 0.00 0.00 55.97 55.15 1snq s LYS 24 Cb -0.05 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1snq s LYS 24 CO -0.00 -0.13 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.30 1snq s LEU 25 N 1.44 2.39 -0.44 5.43 1.43 0.92 -0.82 118.68 129.03 1snq s LEU 25 Ca 0.05 -1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 1snq s LEU 25 Cb -0.15 -0.47 0.05 0.00 0.03 0.00 0.00 46.19 45.65 1snq s LEU 25 CO 0.03 -0.38 0.37 -0.32 0.23 0.00 0.00 176.35 176.27 1snq s MET 26 N -3.77 2.99 -0.20 1.70 -2.45 -0.18 0.13 119.30 117.52 1snq s MET 26 Ca 0.27 -1.15 -0.01 0.00 -1.25 0.00 0.00 55.69 53.54 1snq s MET 26 Cb 0.04 -4.06 0.01 0.00 1.25 0.00 0.00 34.83 32.07 1snq s MET 26 CO 0.09 -0.91 -0.13 -0.47 1.05 0.00 0.00 175.02 174.65 1snq s TYR 27 N 1.73 2.87 -1.30 4.11 5.04 0.56 -2.24 117.35 128.14 1snq s TYR 27 Ca 0.05 -1.37 -0.00 0.00 -2.44 0.00 0.00 57.07 53.32 1snq s TYR 27 Cb -0.21 -2.00 -0.00 0.00 0.35 0.00 0.00 41.96 40.09 1snq s TYR 27 CO 0.09 -0.70 0.73 1.63 -1.34 0.00 0.00 175.55 175.95 1snq n LYS 28 N 4.69 -5.06 0.00 4.97 5.02 -1.26 -1.56 118.16 124.96 1snq n LYS 28 Ca -0.20 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1snq n LYS 28 Cb 0.50 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 1snq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1snq n GLY 29 N -1.53 1.78 3.61 0.72 0.00 -1.26 -4.95 105.19 103.56 1snq n GLY 29 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 1snq n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1snq s GLN 30 N 0.00 3.05 0.40 1.61 -2.07 -0.60 -5.06 119.66 116.98 1snq s GLN 30 Ca 0.00 -0.48 -0.25 0.00 -1.82 0.00 0.00 55.36 52.81 1snq s GLN 30 Cb 0.00 -2.75 -0.09 0.00 -1.09 0.00 0.00 33.01 29.09 1snq s GLN 30 CO 0.00 0.59 1.11 -1.25 -1.32 0.00 0.00 175.29 174.42 1snq s PRO 31 N -0.58 4.12 -0.11 9.60 0.04 -1.26 -0.32 135.00 146.48 1snq s PRO 31 Ca 0.09 1.68 -0.26 0.00 0.04 0.00 0.00 61.00 62.55 1snq s PRO 31 Cb -0.12 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.85 1snq s PRO 31 CO 0.02 -0.22 0.62 1.41 0.04 0.00 0.00 177.00 178.87 1snq s MET 32 N -2.36 0.90 -0.14 4.56 1.75 0.12 -4.88 119.30 119.25 1snq s MET 32 Ca 0.57 0.43 -0.12 0.00 -1.25 0.00 0.00 55.69 55.32 1snq s MET 32 Cb -0.27 0.42 -0.05 0.00 2.84 0.00 0.00 34.83 37.78 1snq s MET 32 CO 0.33 -0.22 0.26 0.99 -0.65 0.00 0.00 175.02 175.73 1snq s THR 33 N -0.65 5.32 -0.06 10.11 2.01 -1.26 -0.06 115.64 131.05 1snq s THR 33 Ca -0.07 0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.44 1snq s THR 33 Cb -0.02 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.88 1snq s THR 33 CO 0.06 0.45 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.93 1snq s PHE 34 N 0.04 2.69 -0.25 4.92 0.40 0.13 -0.55 117.98 125.36 1snq s PHE 34 Ca 0.16 -0.26 -0.07 0.00 -0.60 0.00 0.00 56.93 56.16 1snq s PHE 34 Cb -0.13 -1.65 -0.02 0.00 0.51 0.00 0.00 43.02 41.73 1snq s PHE 34 CO 0.04 0.11 0.06 0.50 0.70 0.00 0.00 175.22 176.63 1snq s ARG 35 N -0.55 3.54 0.12 0.44 6.06 0.11 -1.58 118.95 127.08 1snq s ARG 35 Ca 0.08 -0.55 -0.32 0.00 -2.50 0.00 0.00 55.73 52.43 1snq s ARG 35 Cb -0.11 -3.31 -0.12 0.00 0.06 0.00 0.00 34.95 31.47 1snq s ARG 35 CO 0.01 -0.23 1.76 1.28 -2.50 0.00 0.00 175.30 175.62 1snq n LEU 36 N 4.91 3.73 -4.77 -0.88 4.32 0.20 -3.11 117.00 121.40 1snq n LEU 36 Ca -0.16 1.02 -0.38 0.00 -0.02 0.00 0.00 56.01 56.47 1snq n LEU 36 Cb 0.51 -1.50 -0.02 0.00 -1.62 0.00 0.00 43.42 40.79 1snq n LEU 36 CO 0.31 0.04 0.81 -0.76 -1.22 0.00 0.00 177.39 176.57 1snq s LEU 37 N 2.21 4.13 -1.67 2.23 1.43 0.11 -4.04 118.68 123.08 1snq s LEU 37 Ca 0.81 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 56.18 1snq s LEU 37 Cb -0.56 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1snq s LEU 37 CO 0.38 -0.70 0.00 0.18 0.23 0.00 0.00 176.35 176.44 1snq n LEU 38 N -0.10 -1.69 -4.01 1.79 4.77 -1.26 -4.92 117.00 111.58 1snq n LEU 38 Ca 0.05 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 56.00 1snq n LEU 38 Cb 0.48 -2.73 -0.12 0.00 -2.33 0.00 0.00 43.42 38.71 1snq n LEU 38 CO 0.49 -0.32 -0.39 0.68 -1.33 0.00 0.00 177.39 176.51 1snq s VAL 39 N -2.88 0.40 -0.39 4.08 -7.23 -1.26 -1.64 120.40 111.47 1snq s VAL 39 Ca 0.00 -0.73 0.02 0.00 -1.81 0.00 0.00 61.98 59.46 1snq s VAL 39 Cb 0.00 -0.44 0.12 0.00 0.56 0.00 0.00 36.38 36.62 1snq s VAL 39 CO 0.00 -0.23 0.18 -1.81 -0.31 0.00 0.00 175.10 172.92 1snq s ASP 40 N -1.03 3.93 0.39 4.85 1.01 -0.01 -4.65 116.67 121.16 1snq s ASP 40 Ca -0.07 -2.30 -0.11 0.00 0.71 0.00 0.00 52.55 50.79 1snq s ASP 40 Cb -0.07 -1.09 -0.07 0.00 1.01 0.00 0.00 42.92 42.71 1snq s ASP 40 CO -0.00 -0.32 0.75 0.42 0.21 0.00 0.00 175.17 176.23 1snq s THR 41 N 0.76 4.79 0.31 -1.27 -4.23 -1.26 -2.74 115.64 111.98 1snq s THR 41 Ca 0.14 0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 61.00 1snq s THR 41 Cb -0.22 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 69.80 1snq s THR 41 CO -0.08 -0.47 1.35 -2.84 -0.54 0.00 0.00 174.62 172.04 1snq s PRO 42 N -3.72 4.32 0.22 3.99 0.02 -1.26 -4.95 135.00 133.62 1snq s PRO 42 Ca 0.51 2.25 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 1snq s PRO 42 Cb -0.10 -3.08 -0.10 0.00 0.02 0.00 0.00 34.50 31.24 1snq s PRO 42 CO 0.29 -0.26 1.43 -2.00 -0.33 0.00 0.00 177.00 176.13 1snq s GLU 43 N -1.38 4.29 -0.03 5.54 2.56 -1.26 -4.13 118.70 124.28 1snq s GLU 43 Ca 0.52 2.24 -0.30 0.00 0.00 0.00 0.00 54.97 57.43 1snq s GLU 43 Cb -0.40 -3.14 -0.37 0.00 2.00 0.00 0.00 34.13 32.22 1snq s GLU 43 CO 0.50 -0.41 1.59 2.41 -0.56 0.00 0.00 175.26 178.79 1snq n THR 44 N 2.73 0.07 -3.77 -1.70 -1.04 -1.26 -0.32 114.28 108.98 1snq n THR 44 Ca 0.08 -0.06 -0.23 0.00 -2.04 0.00 0.00 64.05 61.80 1snq n THR 44 Cb 0.41 -2.00 -0.18 0.00 -1.82 0.00 0.00 70.33 66.74 1snq n THR 44 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1snq s VAL 51 N 6.89 0.38 0.38 12.58 1.01 -1.26 -5.00 120.40 135.38 1snq s VAL 51 Ca 0.68 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.78 1snq s VAL 51 Cb 0.15 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1snq s VAL 51 CO 0.34 0.26 0.59 -1.61 0.00 0.00 0.00 175.10 174.68 1snq s GLU 52 N 1.96 3.37 0.10 2.72 2.02 0.56 -5.02 118.70 124.42 1snq s GLU 52 Ca 0.05 -0.36 -0.31 0.00 0.02 0.00 0.00 54.97 54.37 1snq s GLU 52 Cb -0.12 -2.62 -0.09 0.00 0.10 0.00 0.00 34.13 31.40 1snq s GLU 52 CO -0.05 0.01 1.59 0.21 0.02 0.00 0.00 175.26 177.04 1snq s LYS 53 N -4.40 4.22 0.00 1.61 2.47 -1.26 -2.00 119.74 120.37 1snq s LYS 53 Ca 0.43 2.30 0.00 0.00 -1.56 0.00 0.00 55.97 57.13 1snq s LYS 53 Cb -0.10 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 1snq s LYS 53 CO 0.37 -0.66 0.00 0.66 0.16 0.00 0.00 175.35 175.88 1snq n TYR 54 N 4.90 0.00 -0.02 4.03 4.01 -1.26 -4.78 117.16 124.04 1snq n TYR 54 Ca 0.15 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.76 1snq n TYR 54 Cb 0.40 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.33 1snq n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1snq h GLY 55 N 0.00 -0.02 2.00 2.72 0.00 -1.56 -2.25 103.07 103.96 1snq h GLY 55 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1snq h GLY 55 CO 0.00 -0.01 0.00 -0.56 0.00 0.00 0.00 176.54 175.97 1snq h PRO 56 N -0.60 0.00 0.00 4.80 0.13 -1.85 -1.90 132.00 132.59 1snq h PRO 56 Ca -0.00 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.90 1snq h PRO 56 Cb 0.58 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.73 1snq h PRO 56 CO 0.00 0.00 -0.89 0.93 -0.23 0.00 0.00 178.00 177.82 1snq h GLU 57 N 0.00 0.60 -0.17 0.86 3.07 -1.93 -1.66 114.58 115.34 1snq h GLU 57 Ca 0.00 -0.65 -0.10 0.00 -0.50 0.00 0.00 59.36 58.12 1snq h GLU 57 Cb 0.42 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.51 1snq h GLU 57 CO 0.00 1.25 -0.32 0.00 -1.40 0.00 0.00 179.01 178.54 1snq h ALA 58 N 0.37 1.14 -0.17 3.43 0.00 -1.11 -1.39 119.26 121.52 1snq h ALA 58 Ca -0.11 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1snq h ALA 58 Cb 1.56 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1snq h ALA 58 CO 0.17 0.55 -0.14 0.77 0.00 0.00 0.00 179.25 180.61 1snq h SER 59 N 0.30 0.42 -0.92 0.00 0.02 -1.33 -1.26 113.55 110.78 1snq h SER 59 Ca 0.04 -0.46 0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1snq h SER 59 Cb 0.72 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 1snq h SER 59 CO 0.05 0.79 0.60 0.00 -1.14 0.00 0.00 176.83 177.13 1snq h ALA 60 N 0.64 1.18 0.64 3.77 0.00 -1.14 0.77 119.26 125.13 1snq h ALA 60 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1snq h ALA 60 Cb 0.66 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1snq h ALA 60 CO 0.04 0.51 -0.31 0.35 0.00 0.00 0.00 179.25 179.84 1snq h PHE 61 N 1.20 -0.80 -0.33 0.00 3.04 -1.19 0.19 116.94 119.05 1snq h PHE 61 Ca 0.35 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.33 1snq h PHE 61 Cb -0.08 0.27 -0.05 0.00 2.56 0.00 0.00 35.95 38.65 1snq h PHE 61 CO -0.01 -0.46 0.04 1.15 -2.02 0.00 0.00 178.31 177.01 1snq h THR 62 N -1.04 0.80 -0.28 4.41 2.02 -1.11 -0.11 112.91 117.61 1snq h THR 62 Ca -0.09 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.09 1snq h THR 62 Cb 0.70 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1snq h THR 62 CO 0.15 0.03 0.00 0.50 0.37 0.00 0.00 175.52 176.56 1snq h LYS 63 N 0.15 0.08 -0.55 6.66 3.64 -0.80 -1.60 116.57 124.15 1snq h LYS 63 Ca 0.16 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1snq h LYS 63 Cb 0.19 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1snq h LYS 63 CO -0.23 0.05 0.22 -0.22 -2.27 0.00 0.00 179.45 177.00 1snq h LYS 64 N 0.08 0.83 -0.53 1.90 3.64 -0.30 -1.01 116.57 121.19 1snq h LYS 64 Ca 0.13 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1snq h LYS 64 Cb 0.17 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1snq h LYS 64 CO -0.22 0.73 0.16 1.98 -2.27 0.00 0.00 179.45 179.82 1snq h MET 65 N 0.76 0.79 0.02 1.90 4.05 -0.45 -2.37 114.93 119.63 1snq h MET 65 Ca 0.18 -0.14 -0.29 0.00 -0.28 0.00 0.00 59.70 59.17 1snq h MET 65 Cb 0.21 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 1snq h MET 65 CO -0.01 0.69 -1.63 -0.39 0.23 0.00 0.00 176.91 175.80 1snq h VAL 66 N 0.77 0.97 0.00 -5.77 -1.51 -1.20 -3.26 116.25 106.25 1snq h VAL 66 Ca 0.18 -2.77 -0.10 0.00 -1.23 0.00 0.00 66.70 62.78 1snq h VAL 66 Cb 0.24 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 31.90 1snq h VAL 66 CO -0.01 0.62 -0.46 -0.33 -1.23 0.00 0.00 177.57 176.16 1snq h GLU 67 N 0.01 0.00 0.00 5.19 5.08 -1.15 -3.16 114.58 120.56 1snq h GLU 67 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1snq h GLU 67 Cb 1.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1snq h GLU 67 CO 0.09 0.46 -0.62 0.09 -1.00 0.00 0.00 179.01 178.04 1snq n ASN 68 N -3.52 0.59 -4.77 1.42 3.02 -0.90 -4.94 115.26 106.16 1snq n ASN 68 Ca -0.00 -0.32 -0.39 0.00 -0.03 0.00 0.00 54.58 53.84 1snq n ASN 68 Cb 0.58 0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 40.10 1snq n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1snq s ALA 69 N -3.03 3.28 -0.04 5.41 0.00 -1.19 -4.94 121.76 121.25 1snq s ALA 69 Ca 0.10 0.90 0.12 0.00 0.00 0.00 0.00 51.96 53.08 1snq s ALA 69 Cb 0.17 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.84 1snq s ALA 69 CO 0.73 -0.29 1.16 0.87 0.00 0.00 0.00 175.76 178.22 1snq h LYS 70 N 3.22 0.00 -3.69 0.00 1.57 -1.92 -3.45 116.57 112.29 1snq h LYS 70 Ca -0.48 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 57.92 1snq h LYS 70 Cb 1.22 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.17 1snq h LYS 70 CO 0.65 0.64 -0.75 0.15 -0.57 0.00 0.00 179.45 179.56 1snq s LYS 71 N -2.81 0.40 -0.07 3.15 1.02 -1.26 -5.04 119.74 115.12 1snq s LYS 71 Ca 0.00 0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.11 1snq s LYS 71 Cb 0.09 -0.66 -0.03 0.00 -0.52 0.00 0.00 37.83 36.70 1snq s LYS 71 CO 0.80 -0.20 -0.08 0.42 -0.92 0.00 0.00 175.35 175.36 1snq s ILE 72 N 1.43 3.58 -0.00 2.17 -1.09 -1.26 -0.44 121.20 125.60 1snq s ILE 72 Ca -0.04 -0.52 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 1snq s ILE 72 Cb -0.13 -2.46 -0.00 0.00 -1.58 0.00 0.00 42.46 38.28 1snq s ILE 72 CO -0.03 0.59 0.02 -1.61 -1.23 0.00 0.00 174.94 172.68 1snq s GLU 73 N -0.69 0.14 0.01 2.79 2.02 -0.08 -2.21 118.70 120.68 1snq s GLU 73 Ca 0.10 -0.18 0.05 0.00 0.02 0.00 0.00 54.97 54.97 1snq s GLU 73 Cb -0.11 0.06 -0.03 0.00 0.10 0.00 0.00 34.13 34.14 1snq s GLU 73 CO 0.01 -0.02 -0.14 0.14 0.02 0.00 0.00 175.26 175.27 1snq s VAL 74 N -0.51 3.06 -0.24 2.63 -7.23 0.81 0.12 120.40 119.03 1snq s VAL 74 Ca -0.06 -0.98 -0.03 0.00 -1.81 0.00 0.00 61.98 59.11 1snq s VAL 74 Cb -0.04 -2.28 0.08 0.00 0.56 0.00 0.00 36.38 34.70 1snq s VAL 74 CO -0.00 0.41 0.08 -0.70 -0.31 0.00 0.00 175.10 174.58 1snq s GLU 75 N -1.27 0.48 0.56 4.82 2.12 -0.02 -1.37 118.70 124.02 1snq s GLU 75 Ca 0.15 -0.55 -0.18 0.00 0.36 0.00 0.00 54.97 54.75 1snq s GLU 75 Cb -0.11 -1.83 -0.05 0.00 0.26 0.00 0.00 34.13 32.40 1snq s GLU 75 CO 0.05 -0.81 1.09 -0.06 -0.54 0.00 0.00 175.26 174.98 1snq s PHE 76 N 1.90 2.82 0.00 5.30 0.08 -1.26 -0.83 117.98 125.99 1snq s PHE 76 Ca 0.04 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.64 1snq s PHE 76 Cb -0.17 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1snq s PHE 76 CO -0.18 -1.30 0.00 -3.47 -0.10 0.00 0.00 175.22 170.17 1snq n ASP 77 N -1.59 0.00 0.05 1.36 -0.08 -1.26 -4.68 116.55 110.36 1snq n ASP 77 Ca 0.10 -0.83 0.13 0.00 -1.51 0.00 0.00 54.79 52.68 1snq n ASP 77 Cb 0.52 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.32 1snq n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1snq n LYS 78 N -0.83 0.18 0.00 -0.67 2.85 -1.26 -4.87 118.16 113.56 1snq n LYS 78 Ca 0.00 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1snq n LYS 78 Cb 0.00 -1.66 0.00 0.00 -0.65 0.00 0.00 35.03 32.72 1snq n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1snq n GLY 79 N 1.39 1.16 3.74 2.58 0.00 -1.22 -4.96 105.19 107.87 1snq n GLY 79 Ca 0.05 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1snq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1snq s GLN 80 N 1.32 4.33 0.00 1.61 -0.21 -1.15 -4.95 119.66 120.61 1snq s GLN 80 Ca 0.00 2.16 0.26 0.00 0.02 0.00 0.00 55.36 57.80 1snq s GLN 80 Cb 0.00 -3.16 0.64 0.00 1.00 0.00 0.00 33.01 31.49 1snq s GLN 80 CO 0.00 -0.34 1.49 0.54 -2.12 0.00 0.00 175.29 174.86 1snq n ARG 81 N 2.67 0.65 -3.91 2.91 5.12 -1.26 -4.76 116.66 118.07 1snq n ARG 81 Ca 0.07 -0.40 -0.10 0.00 -1.93 0.00 0.00 57.85 55.50 1snq n ARG 81 Cb 0.42 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 30.13 1snq n ARG 81 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1snq s THR 82 N -2.62 0.13 0.57 0.55 -4.23 -1.26 -0.21 115.64 108.57 1snq s THR 82 Ca 0.21 -1.06 0.07 0.00 -1.18 0.00 0.00 61.69 59.72 1snq s THR 82 Cb 0.19 -0.92 0.10 0.00 1.34 0.00 0.00 72.50 73.20 1snq s THR 82 CO 0.57 -0.59 0.79 -0.90 -0.54 0.00 0.00 174.62 173.95 1snq n ASP 83 N 0.71 1.77 0.32 3.99 5.68 -0.64 -4.90 116.55 123.48 1snq n ASP 83 Ca -0.19 -2.33 0.20 0.00 -0.50 0.00 0.00 54.79 51.97 1snq n ASP 83 Cb 0.59 -0.44 1.05 0.00 -1.14 0.00 0.00 41.12 41.17 1snq n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1snq h LYS 84 N 0.00 0.00 -0.23 0.11 -0.00 -2.02 -0.57 116.57 113.86 1snq h LYS 84 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 1snq h LYS 84 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 1snq h LYS 84 CO 0.35 0.01 0.00 0.66 -0.00 0.00 0.00 179.45 180.47 1snq n TYR 85 N -3.28 0.29 -0.99 0.07 4.01 -1.26 -4.92 117.16 111.09 1snq n TYR 85 Ca -0.02 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 1snq n TYR 85 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 1snq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1snq n GLY 86 N 1.20 0.48 3.72 2.72 0.00 -0.22 -5.03 105.19 108.06 1snq n GLY 86 Ca 0.16 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1snq n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1snq s ARG 87 N -0.53 4.56 0.30 1.61 0.52 -1.26 -4.81 118.95 119.35 1snq s ARG 87 Ca 0.00 1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 56.17 1snq s ARG 87 Cb 0.00 -3.41 -0.10 0.00 0.52 0.00 0.00 34.95 31.96 1snq s ARG 87 CO 0.00 0.12 1.36 0.20 0.02 0.00 0.00 175.30 177.00 1snq s GLY 88 N 0.45 2.75 -0.39 -3.53 0.00 0.29 -1.61 107.32 105.27 1snq s GLY 88 Ca 0.45 1.30 -0.10 0.00 0.00 0.00 0.00 44.72 46.37 1snq s GLY 88 CO 0.26 2.07 0.22 1.08 0.00 0.00 0.00 173.10 176.72 1snq s LEU 89 N -1.27 4.88 0.33 0.66 1.43 0.71 0.04 118.68 125.45 1snq s LEU 89 Ca 0.53 -1.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.28 1snq s LEU 89 Cb -0.41 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1snq s LEU 89 CO 0.50 -0.45 0.63 0.00 0.23 0.00 0.00 176.35 177.26 1snq s ALA 90 N 1.49 -0.34 -0.26 4.21 0.00 -1.18 -4.30 121.76 121.39 1snq s ALA 90 Ca 0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 50.98 1snq s ALA 90 Cb -0.21 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 1snq s ALA 90 CO 0.04 -0.92 0.16 0.71 0.00 0.00 0.00 175.76 175.76 1snq s TYR 91 N -3.14 3.25 -0.18 0.00 2.02 -0.01 -0.71 117.35 118.59 1snq s TYR 91 Ca 0.20 0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 56.90 1snq s TYR 91 Cb -0.03 -2.31 -0.05 0.00 -0.40 0.00 0.00 41.96 39.17 1snq s TYR 91 CO 0.12 -0.06 0.23 0.42 -1.57 0.00 0.00 175.55 174.69 1snq s ILE 92 N 1.39 5.35 -0.15 2.71 -1.09 -1.26 -0.84 121.20 127.30 1snq s ILE 92 Ca 0.07 0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 58.87 1snq s ILE 92 Cb -0.15 -3.57 -0.02 0.00 -1.58 0.00 0.00 42.46 37.14 1snq s ILE 92 CO 0.07 0.41 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.83 1snq s TYR 93 N 0.44 2.99 -0.32 3.97 1.51 0.12 0.25 117.35 126.30 1snq s TYR 93 Ca 0.13 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 1snq s TYR 93 Cb -0.12 -1.94 0.07 0.00 -0.11 0.00 0.00 41.96 39.86 1snq s TYR 93 CO 0.02 -0.08 0.02 0.00 -1.11 0.00 0.00 175.55 174.40 1snq s ALA 94 N 0.39 2.84 -1.20 3.71 0.00 0.83 -0.90 121.76 127.42 1snq s ALA 94 Ca -0.05 -2.05 -0.15 0.00 0.00 0.00 0.00 51.96 49.71 1snq s ALA 94 Cb -0.14 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.02 1snq s ALA 94 CO 0.03 -1.43 0.72 -0.25 0.00 0.00 0.00 175.76 174.83 1snq n ASP 95 N 4.50 -4.05 0.00 0.00 8.00 0.42 -0.80 116.55 124.62 1snq n ASP 95 Ca -0.08 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1snq n ASP 95 Cb 0.42 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.12 1snq n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1snq n GLY 96 N -1.72 2.45 3.68 0.44 0.00 -1.26 -4.97 105.19 103.81 1snq n GLY 96 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 1snq n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1snq s LYS 97 N 0.00 4.27 -0.15 1.61 3.01 0.02 -5.01 119.74 123.49 1snq s LYS 97 Ca 0.00 0.54 -0.29 0.00 -1.01 0.00 0.00 55.97 55.20 1snq s LYS 97 Cb 0.00 -3.52 -0.02 0.00 -1.01 0.00 0.00 37.83 33.28 1snq s LYS 97 CO 0.00 -0.06 1.32 1.41 0.51 0.00 0.00 175.35 178.53 1snq s MET 98 N 1.33 4.22 0.24 1.68 1.75 -1.26 -0.12 119.30 127.15 1snq s MET 98 Ca 0.28 1.74 -0.06 0.00 -1.25 0.00 0.00 55.69 56.40 1snq s MET 98 Cb -0.16 -3.80 0.25 0.00 2.84 0.00 0.00 34.83 33.96 1snq s MET 98 CO 0.11 -0.73 1.90 0.28 -0.65 0.00 0.00 175.02 175.93 1snq h VAL 99 N 5.51 1.26 -0.21 10.11 2.07 -0.57 -1.49 116.25 132.93 1snq h VAL 99 Ca -0.28 -0.54 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1snq h VAL 99 Cb 1.11 -0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.71 1snq h VAL 99 CO 0.97 0.27 -0.16 0.78 0.02 0.00 0.00 177.57 179.44 1snq h ASN 100 N 1.32 -0.52 -0.12 0.57 4.21 -1.91 -1.19 115.58 117.93 1snq h ASN 100 Ca 0.35 0.11 -0.02 0.00 1.21 0.00 0.00 56.30 57.94 1snq h ASN 100 Cb -0.08 0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 1snq h ASN 100 CO -0.07 -0.20 0.01 -0.08 -1.29 0.00 0.00 177.43 175.80 1snq h GLU 101 N -0.16 0.21 -0.95 0.81 4.22 -1.87 -2.97 114.58 113.86 1snq h GLU 101 Ca 0.12 -0.06 0.19 0.00 0.08 0.00 0.00 59.36 59.68 1snq h GLU 101 Cb 0.35 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.47 1snq h GLU 101 CO -0.31 0.44 0.54 0.00 -2.18 0.00 0.00 179.01 177.50 1snq h ALA 102 N 0.76 1.54 -0.11 2.92 0.00 -0.90 0.12 119.26 123.60 1snq h ALA 102 Ca 0.04 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1snq h ALA 102 Cb 0.34 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1snq h ALA 102 CO 0.01 -0.11 0.03 -0.07 0.00 0.00 0.00 179.25 179.11 1snq h LEU 103 N 0.67 0.16 -0.13 0.00 3.38 -1.15 -2.56 115.31 115.68 1snq h LEU 103 Ca 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 1snq h LEU 103 Cb 0.87 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1snq h LEU 103 CO -0.40 0.32 0.05 0.58 0.09 0.00 0.00 178.44 179.09 1snq h VAL 104 N -0.02 1.14 -0.45 1.22 2.07 -1.14 -1.01 116.25 118.06 1snq h VAL 104 Ca 0.03 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1snq h VAL 104 Cb 0.22 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1snq h VAL 104 CO -0.00 0.13 0.30 -0.09 0.02 0.00 0.00 177.57 177.93 1snq h ARG 105 N 0.06 0.37 -0.01 1.57 9.65 -0.78 0.03 114.38 125.27 1snq h ARG 105 Ca 0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1snq h ARG 105 Cb 0.16 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1snq h ARG 105 CO -0.00 0.25 -0.01 0.94 2.80 0.00 0.00 179.97 183.95 1snq n GLN 106 N -4.48 1.24 -1.81 0.20 -0.06 -0.97 -4.50 117.38 107.00 1snq n GLN 106 Ca 0.06 -0.40 -0.08 0.00 -2.00 0.00 0.00 57.00 54.58 1snq n GLN 106 Cb 0.24 -1.49 -0.01 0.00 -4.06 0.00 0.00 30.24 24.91 1snq n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1snq n GLY 107 N 1.09 0.38 0.97 1.69 0.00 -0.00 -4.46 105.19 104.86 1snq n GLY 107 Ca 0.21 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.70 1snq n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1snq n LEU 108 N -1.02 3.51 -3.54 0.99 4.77 -0.40 -1.22 117.00 120.09 1snq n LEU 108 Ca -0.09 -2.14 -0.14 0.00 -0.03 0.00 0.00 56.01 53.61 1snq n LEU 108 Cb 0.46 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1snq n LEU 108 CO 0.11 0.81 0.58 0.00 -1.33 0.00 0.00 177.39 177.56 1snq s ALA 109 N -1.25 -1.83 0.08 -1.18 0.00 -1.23 -4.39 121.76 111.97 1snq s ALA 109 Ca 0.35 1.36 0.02 0.00 0.00 0.00 0.00 51.96 53.69 1snq s ALA 109 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1snq s ALA 109 CO 0.21 -0.39 0.16 0.21 0.00 0.00 0.00 175.76 175.96 1snq s LYS 110 N -1.40 3.20 -0.06 0.00 2.47 -1.11 -4.53 119.74 118.31 1snq s LYS 110 Ca -0.06 -0.57 -0.30 0.00 -1.56 0.00 0.00 55.97 53.49 1snq s LYS 110 Cb -0.00 -2.90 -0.03 0.00 -1.46 0.00 0.00 37.83 33.44 1snq s LYS 110 CO 0.05 0.58 1.20 0.08 0.16 0.00 0.00 175.35 177.42 1snq s VAL 111 N -1.49 4.26 0.69 4.02 1.01 -1.26 -0.83 120.40 126.79 1snq s VAL 111 Ca 0.33 1.58 -0.11 0.00 0.00 0.00 0.00 61.98 63.77 1snq s VAL 111 Cb -0.12 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1snq s VAL 111 CO 0.26 -0.01 1.07 0.00 0.00 0.00 0.00 175.10 176.41 1snq s ALA 112 N 2.30 2.82 0.47 5.51 0.00 -0.65 -4.84 121.76 127.36 1snq s ALA 112 Ca 0.56 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.16 1snq s ALA 112 Cb -0.24 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 1snq s ALA 112 CO 0.21 -1.09 1.15 0.71 0.00 0.00 0.00 175.76 176.74 1snq s TYR 113 N -3.19 2.88 0.30 0.00 1.51 -1.26 -4.81 117.35 112.78 1snq s TYR 113 Ca 0.57 1.54 -0.30 0.00 -1.01 0.00 0.00 57.07 57.88 1snq s TYR 113 Cb -0.12 -3.35 -0.11 0.00 -0.11 0.00 0.00 41.96 38.27 1snq s TYR 113 CO 0.54 -1.45 1.58 0.08 -1.11 0.00 0.00 175.55 175.18 1snq s VAL 114 N -1.58 2.07 -0.14 0.71 1.01 -1.26 -4.88 120.40 116.33 1snq s VAL 114 Ca 0.64 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 1snq s VAL 114 Cb -0.27 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1snq s VAL 114 CO 0.33 0.01 -0.12 -0.47 0.00 0.00 0.00 175.10 174.85 1snq s TYR 115 N -0.17 2.84 -1.46 5.22 5.04 -1.26 -4.82 117.35 122.75 1snq s TYR 115 Ca 0.62 -0.63 -0.11 0.00 -2.44 0.00 0.00 57.07 54.50 1snq s TYR 115 Cb -0.48 -1.87 0.11 0.00 0.35 0.00 0.00 41.96 40.08 1snq s TYR 115 CO 0.50 -0.22 0.27 1.63 -1.34 0.00 0.00 175.55 176.40 1snq n LYS 116 N 3.59 -0.85 -0.93 4.97 4.76 -1.26 -1.26 118.16 127.19 1snq n LYS 116 Ca -0.18 0.10 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1snq n LYS 116 Cb 0.53 -3.52 0.00 0.00 -1.84 0.00 0.00 35.03 30.19 1snq n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1snq n GLY 117 N -1.60 0.51 3.38 0.72 0.00 -1.26 -2.94 105.19 104.00 1snq n GLY 117 Ca -0.07 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.24 1snq n GLY 117 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1snq s ASN 118 N -2.23 6.97 -0.01 1.61 0.01 -0.39 -3.44 114.94 117.46 1snq s ASN 118 Ca 0.00 -2.90 0.02 0.00 -0.71 0.00 0.00 52.86 49.27 1snq s ASN 118 Cb 0.00 -2.29 0.03 0.00 0.41 0.00 0.00 41.25 39.40 1snq s ASN 118 CO 0.00 -0.62 0.78 -0.46 -1.51 0.00 0.00 177.10 175.29 1snq n ASN 119 N 4.43 0.61 -0.33 -1.22 0.23 -1.26 -4.39 115.26 113.32 1snq n ASN 119 Ca 0.23 -1.64 0.14 0.00 -0.53 0.00 0.00 54.58 52.79 1snq n ASN 119 Cb 0.44 -0.09 0.34 0.00 -2.08 0.00 0.00 39.78 38.39 1snq n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1snq h THR 120 N 3.11 0.59 -0.36 5.53 2.02 -2.01 -2.28 112.91 119.51 1snq h THR 120 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1snq h THR 120 Cb 1.00 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1snq h THR 120 CO 0.00 0.11 0.00 1.41 0.37 0.00 0.00 175.52 177.41 1snq n HIS 121 N -4.89 1.23 -0.15 3.16 8.25 -1.26 -4.61 115.22 116.96 1snq n HIS 121 Ca 0.24 -0.82 -0.02 0.00 -0.26 0.00 0.00 57.72 56.86 1snq n HIS 121 Cb 0.65 -0.35 0.20 0.00 1.12 0.00 0.00 29.99 31.61 1snq n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1snq h GLU 122 N 2.44 0.86 -0.35 -0.41 4.81 -1.76 -1.77 114.58 118.40 1snq h GLU 122 Ca 0.00 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 1snq h GLU 122 Cb 1.56 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1snq h GLU 122 CO 0.28 0.73 -0.10 1.96 -0.73 0.00 0.00 179.01 181.16 1snq h GLN 123 N 0.84 0.69 -0.12 1.92 1.08 -1.81 1.00 115.11 118.70 1snq h GLN 123 Ca 0.20 -0.27 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1snq h GLN 123 Cb 0.22 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1snq h GLN 123 CO -0.01 0.86 -0.01 1.25 -0.95 0.00 0.00 178.83 179.97 1snq h LEU 124 N 0.48 -0.06 -0.87 1.46 5.85 -1.84 -0.94 115.31 119.38 1snq h LEU 124 Ca 0.09 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 1snq h LEU 124 Cb 0.61 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1snq h LEU 124 CO 0.04 -0.01 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.04 1snq h LEU 125 N 0.03 0.79 -0.29 2.25 4.07 -1.19 -2.36 115.31 118.62 1snq h LEU 125 Ca 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 1snq h LEU 125 Cb 0.07 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1snq h LEU 125 CO -0.10 0.87 0.15 0.03 -1.08 0.00 0.00 178.44 178.30 1snq h ARG 126 N 0.76 0.40 0.08 1.13 2.47 -0.44 -1.03 114.38 117.75 1snq h ARG 126 Ca 0.14 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 1snq h ARG 126 Cb 0.48 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 1snq h ARG 126 CO 0.02 0.37 -0.26 0.87 0.56 0.00 0.00 179.97 181.53 1snq h LYS 127 N 0.34 -0.43 -0.69 0.04 1.79 -0.92 -0.64 116.57 116.05 1snq h LYS 127 Ca 0.10 0.03 0.11 0.00 -2.18 0.00 0.00 60.65 58.71 1snq h LYS 127 Cb 0.08 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 30.75 1snq h LYS 127 CO -0.01 -0.29 0.29 0.77 -1.08 0.00 0.00 179.45 179.12 1snq h SER 128 N -0.45 0.31 -0.83 0.86 0.02 -1.25 -0.21 113.55 112.00 1snq h SER 128 Ca 0.04 0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1snq h SER 128 Cb 0.49 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1snq h SER 128 CO -0.17 0.16 0.42 -0.08 -1.14 0.00 0.00 176.83 176.01 1snq h GLU 129 N 0.47 1.18 -0.06 3.45 4.81 -0.71 -0.70 114.58 123.02 1snq h GLU 129 Ca 0.36 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1snq h GLU 129 Cb 0.47 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1snq h GLU 129 CO -0.33 0.89 -0.01 0.00 -0.73 0.00 0.00 179.01 178.83 1snq h ALA 130 N 1.22 0.04 -0.70 2.92 0.00 0.48 -0.25 119.26 122.99 1snq h ALA 130 Ca 0.29 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.30 1snq h ALA 130 Cb 0.08 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 1snq h ALA 130 CO -0.04 -0.49 0.36 0.37 0.00 0.00 0.00 179.25 179.45 1snq h GLN 131 N 0.01 0.61 -0.42 0.00 5.75 -0.70 0.13 115.11 120.48 1snq h GLN 131 Ca 0.03 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 1snq h GLN 131 Cb 0.04 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 1snq h GLN 131 CO -0.05 0.41 -0.03 0.00 -2.65 0.00 0.00 178.83 176.50 1snq h ALA 132 N 1.40 1.15 -0.05 3.38 0.00 -0.77 -0.67 119.26 123.70 1snq h ALA 132 Ca 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1snq h ALA 132 Cb 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1snq h ALA 132 CO -0.24 0.55 0.01 0.87 0.00 0.00 0.00 179.25 180.44 1snq h LYS 133 N 0.66 0.08 -0.88 0.00 1.57 0.25 0.52 116.57 118.77 1snq h LYS 133 Ca 0.13 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.01 1snq h LYS 133 Cb 0.46 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.68 1snq h LYS 133 CO 0.02 0.29 0.49 -0.22 -0.57 0.00 0.00 179.45 179.46 1snq h LYS 134 N -0.15 0.74 -0.21 3.15 3.64 -0.27 0.33 116.57 123.81 1snq h LYS 134 Ca 0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1snq h LYS 134 Cb 0.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1snq h LYS 134 CO 0.00 0.49 0.00 0.39 -2.27 0.00 0.00 179.45 178.06 1snq n GLU 135 N -4.77 1.66 -3.99 1.90 1.02 -0.31 -4.94 120.64 111.20 1snq n GLU 135 Ca 0.16 -1.00 -0.37 0.00 -0.02 0.00 0.00 57.16 55.94 1snq n GLU 135 Cb 0.37 -1.32 -0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1snq n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1snq n LYS 136 N 0.25 -1.15 -3.08 3.49 5.02 0.12 -4.91 118.16 117.90 1snq n LYS 136 Ca 0.14 0.23 -0.39 0.00 -2.02 0.00 0.00 58.31 56.27 1snq n LYS 136 Cb 0.28 -3.47 -0.05 0.00 -0.02 0.00 0.00 35.03 31.77 1snq n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1snq s LEU 137 N -7.11 4.41 0.00 -0.35 1.43 0.05 -3.52 118.68 113.59 1snq s LEU 137 Ca 0.32 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.71 1snq s LEU 137 Cb -0.15 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 42.98 1snq s LEU 137 CO 0.93 0.02 0.00 0.59 0.23 0.00 0.00 176.35 178.13 1snq n ASN 138 N 2.97 0.00 -0.22 2.29 3.02 -1.26 0.75 115.26 122.81 1snq n ASN 138 Ca -0.04 0.00 0.21 0.00 -0.03 0.00 0.00 54.58 54.72 1snq n ASN 138 Cb 0.51 0.00 0.56 0.00 -0.61 0.00 0.00 39.78 40.24 1snq n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1snq h ILE 139 N 0.00 0.66 -0.37 2.41 5.03 -1.49 -0.59 117.51 123.16 1snq h ILE 139 Ca 0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 64.86 64.63 1snq h ILE 139 Cb 0.00 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 34.11 1snq h ILE 139 CO 0.00 0.06 0.00 0.79 -0.68 0.00 0.00 178.15 178.32 1snq n TRP 140 N -4.46 0.48 1.89 1.37 7.02 0.23 -5.13 117.44 118.84 1snq n TRP 140 Ca 0.19 -0.24 0.16 0.00 -1.02 0.00 0.00 57.50 56.58 1snq n TRP 140 Cb 0.74 0.00 0.86 0.00 -2.42 0.00 0.00 31.31 30.49 1snq n TRP 140 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54