#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qfw s LEU 4 N 0.00 -1.27 -0.93 1.08 2.96 -1.26 -2.78 118.68 116.48 1qfw s LEU 4 Ca 0.00 -1.32 -0.21 0.00 -0.22 0.00 0.00 54.13 52.39 1qfw s LEU 4 Cb 0.00 1.65 0.10 0.00 0.50 0.00 0.00 46.19 48.44 1qfw s LEU 4 CO 0.00 -0.07 1.21 -1.58 -1.32 0.00 0.00 176.35 174.60 1qfw s GLN 5 N 1.11 3.54 -0.21 1.98 2.00 0.28 -4.11 119.66 124.25 1qfw s GLN 5 Ca 0.26 -1.43 -0.17 0.00 -2.00 0.00 0.00 55.36 52.02 1qfw s GLN 5 Cb 0.01 -4.97 -0.04 0.00 0.80 0.00 0.00 33.01 28.82 1qfw s GLN 5 CO -0.07 -1.92 0.45 -1.14 -0.50 0.00 0.00 175.29 172.12 1qfw s GLN 6 N 3.61 4.17 -0.14 1.67 0.74 -1.26 0.63 119.66 129.07 1qfw s GLN 6 Ca 0.36 0.29 -0.04 0.00 0.05 0.00 0.00 55.36 56.01 1qfw s GLN 6 Cb -0.05 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.47 1qfw s GLN 6 CO -0.07 -0.12 0.01 0.45 -0.55 0.00 0.00 175.29 175.01 1qfw s SER 7 N 1.15 5.20 -0.24 6.67 0.15 -0.29 -4.35 113.70 122.00 1qfw s SER 7 Ca 0.21 0.02 -0.03 0.00 0.70 0.00 0.00 55.95 56.85 1qfw s SER 7 Cb -0.15 -1.76 0.12 0.00 -1.71 0.00 0.00 66.02 62.52 1qfw s SER 7 CO 0.09 0.23 0.29 -0.83 1.20 0.00 0.00 173.24 174.22 1qfw s GLY 8 N 0.01 -0.18 0.62 9.45 0.00 -1.26 -4.13 107.32 111.83 1qfw s GLY 8 Ca 0.03 0.35 -0.04 0.00 0.00 0.00 0.00 44.72 45.06 1qfw s GLY 8 CO 0.02 2.45 0.90 0.00 0.00 0.00 0.00 173.10 176.47 1qfw s ALA 9 N 2.41 3.43 0.00 3.20 0.00 -1.26 -3.48 121.76 126.07 1qfw s ALA 9 Ca 0.09 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1qfw s ALA 9 Cb -0.15 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1qfw s ALA 9 CO -0.18 -1.00 0.00 -0.85 0.00 0.00 0.00 175.76 173.73 1qfw n GLU 10 N -2.64 3.42 -3.45 0.00 0.28 -0.85 -3.95 120.64 113.45 1qfw n GLU 10 Ca 0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.69 1qfw n GLU 10 Cb 0.60 -0.54 -0.06 0.00 1.43 0.00 0.00 31.44 32.87 1qfw n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1qfw s LEU 11 N -1.54 4.40 -0.29 -1.84 1.43 -1.26 0.24 118.68 119.82 1qfw s LEU 11 Ca 0.00 0.88 -0.21 0.00 -1.03 0.00 0.00 54.13 53.77 1qfw s LEU 11 Cb 0.00 -2.60 0.18 0.00 0.03 0.00 0.00 46.19 43.80 1qfw s LEU 11 CO 0.00 0.21 1.26 -0.69 0.23 0.00 0.00 176.35 177.36 1qfw s VAL 12 N -0.44 0.00 1.11 -1.59 1.01 -1.07 -4.92 120.40 114.51 1qfw s VAL 12 Ca 0.24 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 1qfw s VAL 12 Cb -0.16 -1.00 0.14 0.00 0.00 0.00 0.00 36.38 35.36 1qfw s VAL 12 CO 0.12 0.00 0.12 2.29 0.00 0.00 0.00 175.10 177.63 1qfw n LYS 13 N 2.41 -2.01 -0.97 2.72 0.00 -1.26 -4.31 118.16 114.73 1qfw n LYS 13 Ca -0.14 -0.58 -0.40 0.00 -0.00 0.00 0.00 58.31 57.19 1qfw n LYS 13 Cb 0.57 -1.64 -0.06 0.00 -0.00 0.00 0.00 35.03 33.90 1qfw n LYS 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1qfw n PRO 14 N -2.19 1.30 -3.92 -1.58 -0.04 -1.25 -4.77 135.00 122.55 1qfw n PRO 14 Ca 0.03 -1.64 -0.09 0.00 -0.04 0.00 0.00 63.50 61.76 1qfw n PRO 14 Cb 0.55 -2.78 -0.09 0.00 -0.04 0.00 0.00 33.50 31.15 1qfw n PRO 14 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1qfw s GLY 15 N 5.12 0.18 0.00 0.55 0.00 -1.20 -4.78 107.32 107.19 1qfw s GLY 15 Ca 0.55 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.64 1qfw s GLY 15 CO 0.13 -0.79 0.00 0.00 0.00 0.00 0.00 173.10 172.44 1qfw n ALA 16 N 0.41 0.00 -3.65 3.20 0.00 -1.26 -3.29 120.51 115.91 1qfw n ALA 16 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.22 1qfw n ALA 16 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1qfw n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qfw s SER 17 N -1.83 -0.90 0.13 0.00 0.01 -1.26 -1.48 113.70 108.37 1qfw s SER 17 Ca 0.00 1.41 0.10 0.00 1.31 0.00 0.00 55.95 58.77 1qfw s SER 17 Cb 0.00 1.73 -0.04 0.00 0.21 0.00 0.00 66.02 67.92 1qfw s SER 17 CO 0.00 -0.23 -0.25 0.68 0.41 0.00 0.00 173.24 173.86 1qfw s VAL 18 N 2.31 2.11 0.41 3.43 -7.23 0.35 -5.01 120.40 116.77 1qfw s VAL 18 Ca -0.07 -1.73 0.07 0.00 -1.81 0.00 0.00 61.98 58.45 1qfw s VAL 18 Cb -0.09 -1.89 -0.07 0.00 0.56 0.00 0.00 36.38 34.89 1qfw s VAL 18 CO -0.18 0.02 0.06 -1.59 -0.31 0.00 0.00 175.10 173.10 1qfw s LYS 19 N -2.08 2.04 0.05 4.82 -2.85 -1.26 -1.08 119.74 119.37 1qfw s LYS 19 Ca 0.12 -2.01 -0.17 0.00 -1.00 0.00 0.00 55.97 52.91 1qfw s LYS 19 Cb -0.10 -1.76 0.03 0.00 -2.06 0.00 0.00 37.83 33.95 1qfw s LYS 19 CO 0.06 -0.05 0.39 -1.17 0.10 0.00 0.00 175.35 174.68 1qfw s LEU 20 N -3.76 0.49 -0.01 2.77 1.98 -0.63 -4.91 118.68 114.60 1qfw s LEU 20 Ca 0.37 -0.05 -0.09 0.00 -2.89 0.00 0.00 54.13 51.47 1qfw s LEU 20 Cb 0.07 1.68 0.01 0.00 0.66 0.00 0.00 46.19 48.61 1qfw s LEU 20 CO 0.19 -0.66 0.18 -0.55 -1.89 0.00 0.00 176.35 173.62 1qfw s SER 21 N -2.04 -0.04 -0.47 3.68 0.15 -1.26 -3.10 113.70 110.61 1qfw s SER 21 Ca -0.05 -0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.55 1qfw s SER 21 Cb -0.01 0.25 0.17 0.00 -1.71 0.00 0.00 66.02 64.72 1qfw s SER 21 CO -0.03 -0.37 0.36 0.00 1.20 0.00 0.00 173.24 174.40 1qfw s LYS 23 N -0.16 2.50 0.08 0.00 3.01 0.21 -3.59 119.74 121.78 1qfw s LYS 23 Ca 0.29 1.92 -0.10 0.00 -1.01 0.00 0.00 55.97 57.07 1qfw s LYS 23 Cb -0.02 -1.86 0.00 0.00 -1.01 0.00 0.00 37.83 34.95 1qfw s LYS 23 CO -0.16 -1.60 0.22 0.00 0.51 0.00 0.00 175.35 174.32 1qfw s ALA 24 N -1.63 -0.34 0.00 5.17 0.00 -0.91 0.10 121.76 124.15 1qfw s ALA 24 Ca 0.79 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1qfw s ALA 24 Cb -0.33 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1qfw s ALA 24 CO 0.40 -0.50 0.00 0.45 0.00 0.00 0.00 175.76 176.11 1qfw n SER 25 N 0.05 0.00 -0.48 0.00 2.88 -1.12 -4.92 113.62 110.04 1qfw n SER 25 Ca -0.16 -0.50 -0.06 0.00 -1.33 0.00 0.00 58.87 56.82 1qfw n SER 25 Cb 0.62 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.05 1qfw n SER 25 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1qfw n ASP 26 N -0.60 -4.75 0.00 -3.46 8.00 -1.26 -2.04 116.55 112.44 1qfw n ASP 26 Ca 0.00 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.65 1qfw n ASP 26 Cb 0.00 -2.80 0.00 0.00 -0.02 0.00 0.00 41.12 38.30 1qfw n ASP 26 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1qfw n TYR 27 N -2.48 0.00 0.00 1.24 4.01 -1.26 -4.80 117.16 113.86 1qfw n TYR 27 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 1qfw n TYR 27 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 1qfw n TYR 27 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1qfw n THR 28 N -1.30 0.00 0.07 -0.72 5.66 -1.26 -4.92 114.28 111.82 1qfw n THR 28 Ca 0.00 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 1qfw n THR 28 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 1qfw n THR 28 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 175.07 172.17 1qfw h PHE 29 N 0.00 0.41 0.00 1.09 3.57 -1.96 -3.25 116.94 116.80 1qfw h PHE 29 Ca 0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1qfw h PHE 29 Cb 0.00 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1qfw h PHE 29 CO 0.00 0.94 0.00 0.25 -2.23 0.00 0.00 178.31 177.27 1qfw n THR 30 N -3.79 0.54 0.00 4.41 -2.24 -1.26 -3.82 114.28 108.13 1qfw n THR 30 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1qfw n THR 30 Cb 0.72 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1qfw n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qfw n SER 31 N 0.37 3.07 -4.44 3.42 7.64 -1.22 -4.82 113.62 117.63 1qfw n SER 31 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1qfw n SER 31 Cb 0.36 0.43 -0.11 0.00 -1.01 0.00 0.00 64.21 63.87 1qfw n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1qfw s TYR 32 N -1.46 2.32 0.00 1.43 2.02 -1.25 -5.11 117.35 115.31 1qfw s TYR 32 Ca 0.00 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1qfw s TYR 32 Cb 0.00 -1.14 0.00 0.00 -0.40 0.00 0.00 41.96 40.42 1qfw s TYR 32 CO 0.00 0.52 0.00 0.91 -1.57 0.00 0.00 175.55 175.41 1qfw n TRP 33 N 0.18 -1.14 -3.55 2.71 7.02 -1.26 -4.59 117.44 116.81 1qfw n TRP 33 Ca -0.12 0.00 0.01 0.00 -1.02 0.00 0.00 57.50 56.38 1qfw n TRP 33 Cb 0.56 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.40 1qfw n TRP 33 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1qfw s MET 34 N -0.55 0.14 -0.28 -0.99 1.75 -1.14 -4.58 119.30 113.65 1qfw s MET 34 Ca 0.00 0.26 -0.21 0.00 -1.25 0.00 0.00 55.69 54.50 1qfw s MET 34 Cb 0.00 0.07 0.09 0.00 2.84 0.00 0.00 34.83 37.83 1qfw s MET 34 CO 0.00 -0.03 0.78 -3.38 -0.65 0.00 0.00 175.02 171.74 1qfw s HIS 35 N 1.39 -0.83 0.50 4.11 -3.43 -0.34 -1.12 115.29 115.58 1qfw s HIS 35 Ca -0.06 1.82 -0.18 0.00 -0.80 0.00 0.00 55.06 55.83 1qfw s HIS 35 Cb -0.03 0.43 -0.08 0.00 -1.43 0.00 0.00 32.58 31.47 1qfw s HIS 35 CO -0.13 -0.40 1.00 -1.58 -2.00 0.00 0.00 174.74 171.63 1qfw s TRP 36 N 0.93 3.23 -0.04 0.38 0.52 -1.18 -1.51 118.94 121.27 1qfw s TRP 36 Ca -0.04 1.54 -0.01 0.00 0.02 0.00 0.00 56.10 57.60 1qfw s TRP 36 Cb -0.05 -2.90 0.03 0.00 -1.15 0.00 0.00 33.47 29.40 1qfw s TRP 36 CO -0.09 -0.54 0.07 0.14 0.02 0.00 0.00 176.95 176.55 1qfw s VAL 37 N -2.34 -0.09 -0.15 4.03 -7.23 0.17 -3.15 120.40 111.64 1qfw s VAL 37 Ca 0.62 0.28 -0.17 0.00 -1.81 0.00 0.00 61.98 60.90 1qfw s VAL 37 Cb -0.12 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 1qfw s VAL 37 CO 0.25 0.12 0.46 -0.75 -0.31 0.00 0.00 175.10 174.86 1qfw s LYS 38 N 1.50 4.27 -0.26 4.82 2.20 -0.78 -1.33 119.74 130.16 1qfw s LYS 38 Ca -0.04 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 1qfw s LYS 38 Cb -0.12 -3.48 0.07 0.00 -1.51 0.00 0.00 37.83 32.79 1qfw s LYS 38 CO -0.04 0.07 0.00 -1.14 -0.36 0.00 0.00 175.35 173.88 1qfw s GLN 39 N 0.95 1.30 0.20 4.03 0.74 0.56 -0.79 119.66 126.64 1qfw s GLN 39 Ca 0.24 -1.06 -0.29 0.00 0.05 0.00 0.00 55.36 54.29 1qfw s GLN 39 Cb -0.15 -2.49 -0.08 0.00 1.10 0.00 0.00 33.01 31.39 1qfw s GLN 39 CO 0.09 -0.73 0.92 0.50 -0.55 0.00 0.00 175.29 175.52 1qfw s ARG 40 N 1.43 4.78 0.52 1.67 3.52 -1.26 -1.83 118.95 127.77 1qfw s ARG 40 Ca 0.00 1.42 -0.19 0.00 -0.13 0.00 0.00 55.73 56.84 1qfw s ARG 40 Cb -0.18 -3.30 -0.11 0.00 -1.56 0.00 0.00 34.95 29.80 1qfw s ARG 40 CO -0.11 0.46 0.34 -0.35 -0.81 0.00 0.00 175.30 174.84 1qfw n PRO 41 N 1.79 0.37 -2.34 5.12 -0.04 -1.26 -2.90 135.00 135.74 1qfw n PRO 41 Ca -0.02 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1qfw n PRO 41 Cb 0.48 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1qfw n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qfw n GLY 42 N 1.99 -0.36 3.30 0.55 0.00 -1.26 -4.91 105.19 104.51 1qfw n GLY 42 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1qfw n GLY 42 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qfw s GLN 43 N -4.82 1.03 0.94 1.61 1.03 -1.14 -5.16 119.66 113.14 1qfw s GLN 43 Ca 0.00 -0.81 -0.12 0.00 0.04 0.00 0.00 55.36 54.48 1qfw s GLN 43 Cb 0.00 0.43 0.15 0.00 0.03 0.00 0.00 33.01 33.63 1qfw s GLN 43 CO 0.00 -0.39 1.09 0.20 -2.54 0.00 0.00 175.29 173.65 1qfw s GLY 44 N -2.83 1.61 0.43 2.60 0.00 -1.26 -4.60 107.32 103.27 1qfw s GLY 44 Ca 0.05 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.74 1qfw s GLY 44 CO -0.11 0.47 0.62 0.48 0.00 0.00 0.00 173.10 174.56 1qfw s LEU 45 N -6.39 3.69 -0.06 0.66 -0.00 -1.26 -4.40 118.68 110.92 1qfw s LEU 45 Ca 0.64 0.04 -0.06 0.00 -0.00 0.00 0.00 54.13 54.75 1qfw s LEU 45 Cb -0.19 -2.95 0.01 0.00 -0.00 0.00 0.00 46.19 43.06 1qfw s LEU 45 CO 0.58 -0.69 0.16 -1.83 -0.00 0.00 0.00 176.35 174.57 1qfw s GLU 46 N -4.46 0.22 0.44 1.48 -1.05 0.03 -4.98 118.70 110.39 1qfw s GLU 46 Ca 0.49 0.17 -0.25 0.00 -0.15 0.00 0.00 54.97 55.23 1qfw s GLU 46 Cb -0.10 0.11 -0.09 0.00 -0.44 0.00 0.00 34.13 33.61 1qfw s GLU 46 CO 0.35 -0.03 1.37 1.87 0.95 0.00 0.00 175.26 179.77 1qfw n TRP 47 N 2.85 2.48 0.00 4.83 -0.00 -1.26 -1.86 117.44 124.47 1qfw n TRP 47 Ca -0.13 0.46 0.00 0.00 -0.00 0.00 0.00 57.50 57.83 1qfw n TRP 47 Cb 0.59 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 29.47 1qfw n TRP 47 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 177.69 179.20 1qfw n ILE 48 N -0.21 0.00 -3.64 5.87 0.13 -1.19 -4.87 119.36 115.45 1qfw n ILE 48 Ca 0.06 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.66 1qfw n ILE 48 Cb 0.41 -1.32 -0.07 0.00 -0.84 0.00 0.00 39.64 37.82 1qfw n ILE 48 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 1qfw s GLY 49 N -4.93 0.19 0.29 4.50 0.00 -1.24 -3.74 107.32 102.38 1qfw s GLY 49 Ca 0.00 3.23 0.03 0.00 0.00 0.00 0.00 44.72 47.97 1qfw s GLY 49 CO 0.00 1.86 0.45 -0.54 0.00 0.00 0.00 173.10 174.87 1qfw s GLU 50 N 0.02 3.47 -0.24 2.90 2.02 -0.22 -3.07 118.70 123.57 1qfw s GLU 50 Ca 0.06 -0.53 -0.05 0.00 0.02 0.00 0.00 54.97 54.46 1qfw s GLU 50 Cb -0.05 -2.78 0.12 0.00 0.10 0.00 0.00 34.13 31.53 1qfw s GLU 50 CO -0.12 0.29 0.47 -1.50 0.02 0.00 0.00 175.26 174.42 1qfw s ILE 51 N -2.14 -0.74 -0.78 -1.63 -1.16 -0.27 -3.03 121.20 111.44 1qfw s ILE 51 Ca 0.37 0.05 -0.25 0.00 -0.51 0.00 0.00 60.65 60.31 1qfw s ILE 51 Cb -0.09 -0.80 -0.03 0.00 0.61 0.00 0.00 42.46 42.14 1qfw s ILE 51 CO 0.32 -0.00 1.89 0.21 -2.81 0.00 0.00 174.94 174.55 1qfw s ASN 52 N 2.67 5.24 0.00 4.50 3.84 -0.79 -2.87 114.94 127.53 1qfw s ASN 52 Ca 0.05 -0.28 0.02 0.00 0.21 0.00 0.00 52.86 52.86 1qfw s ASN 52 Cb -0.13 -2.55 0.12 0.00 -0.55 0.00 0.00 41.25 38.14 1qfw s ASN 52 CO -0.16 -2.56 0.55 -0.81 -2.79 0.00 0.00 177.10 171.34 1qfw n PRO 52 N 9.00 0.07 -0.05 0.43 -0.05 -1.26 0.16 135.00 143.30 1qfw n PRO 52 Ca 0.31 0.00 -0.04 0.00 -0.05 0.00 0.00 63.50 63.72 1qfw n PRO 52 Cb 0.49 -1.43 -0.01 0.00 -0.05 0.00 0.00 33.50 32.49 1qfw n PRO 52 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1qfw n THR 53 N -0.93 0.93 0.08 0.52 -2.24 -1.26 -4.66 114.28 106.72 1qfw n THR 53 Ca 0.01 0.29 -0.17 0.00 -2.27 0.00 0.00 64.05 61.92 1qfw n THR 53 Cb 0.01 -2.05 -0.10 0.00 -2.10 0.00 0.00 70.33 66.09 1qfw n THR 53 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1qfw h ASN 54 N -0.64 0.65 0.00 3.42 2.35 -1.94 -3.48 115.58 115.94 1qfw h ASN 54 Ca 0.00 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.17 1qfw h ASN 54 Cb 0.49 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1qfw h ASN 54 CO 0.00 1.40 0.00 0.61 -1.65 0.00 0.00 177.43 177.79 1qfw n GLY 55 N 1.22 0.84 3.80 2.83 0.00 0.12 -5.07 105.19 108.93 1qfw n GLY 55 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1qfw n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qfw s ARG 56 N -0.99 4.12 -0.06 1.61 1.70 -1.24 -4.70 118.95 119.38 1qfw s ARG 56 Ca 0.00 1.33 -0.08 0.00 -0.47 0.00 0.00 55.73 56.51 1qfw s ARG 56 Cb 0.00 -2.33 -0.04 0.00 -0.57 0.00 0.00 34.95 32.01 1qfw s ARG 56 CO 0.00 -0.15 0.22 0.95 -1.08 0.00 0.00 175.30 175.24 1qfw s THR 57 N -1.90 5.37 -0.36 4.99 -4.23 -1.26 -1.89 115.64 116.35 1qfw s THR 57 Ca 0.61 0.29 0.00 0.00 -1.18 0.00 0.00 61.69 61.41 1qfw s THR 57 Cb -0.16 -3.50 0.13 0.00 1.34 0.00 0.00 72.50 70.31 1qfw s THR 57 CO 0.20 0.54 0.20 -0.31 -0.54 0.00 0.00 174.62 174.72 1qfw s TYR 59 N -1.12 1.06 0.00 3.99 2.02 -1.17 -5.01 117.35 117.12 1qfw s TYR 59 Ca 0.20 -1.75 0.00 0.00 -0.37 0.00 0.00 57.07 55.15 1qfw s TYR 59 Cb -0.13 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 1qfw s TYR 59 CO 0.09 -0.82 0.00 0.66 -1.57 0.00 0.00 175.55 173.91 1qfw n TYR 60 N 4.10 0.00 -3.65 2.71 4.01 -1.26 -1.05 117.16 122.02 1qfw n TYR 60 Ca 0.08 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.67 1qfw n TYR 60 Cb 0.37 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.33 1qfw n TYR 60 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1qfw s ASN 61 N -1.00 -0.43 -0.17 7.72 2.20 -1.24 -4.87 114.94 117.15 1qfw s ASN 61 Ca 0.00 0.46 -0.07 0.00 -0.94 0.00 0.00 52.86 52.31 1qfw s ASN 61 Cb 0.00 0.48 0.07 0.00 -2.00 0.00 0.00 41.25 39.81 1qfw s ASN 61 CO 0.00 -0.50 0.36 -1.61 -2.94 0.00 0.00 177.10 172.41 1qfw s GLU 62 N -1.12 0.28 0.00 3.55 2.02 -1.26 -5.11 118.70 117.06 1qfw s GLU 62 Ca -0.11 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.74 1qfw s GLU 62 Cb -0.03 0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.32 1qfw s GLU 62 CO 0.06 -0.23 0.00 0.36 0.02 0.00 0.00 175.26 175.47 1qfw n LYS 63 N 5.05 0.00 -3.29 1.61 2.85 -1.26 -5.31 118.16 117.82 1qfw n LYS 63 Ca -0.12 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.00 1qfw n LYS 63 Cb 0.51 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 1qfw n LYS 63 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1qfw n LYS 67 N 0.00 -0.69 -2.63 -1.58 0.00 -1.26 -5.70 118.16 106.31 1qfw n LYS 67 Ca 0.00 0.18 -0.01 0.00 -0.00 0.00 0.00 58.31 58.48 1qfw n LYS 67 Cb 0.00 -0.88 0.07 0.00 -0.00 0.00 0.00 35.03 34.22 1qfw n LYS 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qfw n ALA 68 N -1.79 2.71 -1.43 0.58 0.00 -1.26 -4.04 120.51 115.27 1qfw n ALA 68 Ca -0.12 -2.10 -0.47 0.00 0.00 0.00 0.00 53.44 50.74 1qfw n ALA 68 Cb 0.30 -0.83 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1qfw n ALA 68 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1qfw n THR 69 N -0.80 0.04 -3.92 0.00 5.66 -1.24 -4.53 114.28 109.50 1qfw n THR 69 Ca -0.02 -0.20 -0.24 0.00 -3.05 0.00 0.00 64.05 60.54 1qfw n THR 69 Cb 0.85 -1.20 -0.03 0.00 -1.55 0.00 0.00 70.33 68.40 1qfw n THR 69 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1qfw s LEU 70 N 8.32 4.31 0.21 1.09 2.34 -1.26 -2.44 118.68 131.25 1qfw s LEU 70 Ca 1.19 0.16 -0.04 0.00 0.06 0.00 0.00 54.13 55.49 1qfw s LEU 70 Cb -1.02 -2.92 -0.03 0.00 -0.56 0.00 0.00 46.19 41.65 1qfw s LEU 70 CO 0.49 -0.02 0.23 -0.89 -1.06 0.00 0.00 176.35 175.10 1qfw s THR 71 N -1.87 0.00 -0.14 5.48 2.01 -1.10 -4.94 115.64 115.09 1qfw s THR 71 Ca 0.35 -1.83 -0.21 0.00 0.31 0.00 0.00 61.69 60.31 1qfw s THR 71 Cb -0.10 -2.41 0.05 0.00 0.01 0.00 0.00 72.50 70.05 1qfw s THR 71 CO 0.29 -0.01 0.54 -0.69 -0.69 0.00 0.00 174.62 174.06 1qfw s VAL 72 N -4.12 0.01 -0.28 3.82 1.01 -1.26 0.07 120.40 119.65 1qfw s VAL 72 Ca 0.34 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1qfw s VAL 72 Cb 0.05 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.71 1qfw s VAL 72 CO 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 175.10 175.15 1qfw s ALA 73 N -0.35 2.29 0.58 5.51 0.00 -0.69 -4.99 121.76 124.12 1qfw s ALA 73 Ca -0.05 -1.84 0.28 0.00 0.00 0.00 0.00 51.96 50.34 1qfw s ALA 73 Cb -0.03 -1.66 1.63 0.00 0.00 0.00 0.00 23.12 23.06 1qfw s ALA 73 CO 0.04 -1.42 2.12 0.00 0.00 0.00 0.00 175.76 176.49 1qfw h ALA 74 N 7.84 1.83 0.08 0.00 0.00 -1.90 0.32 119.26 127.43 1qfw h ALA 74 Ca -0.13 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1qfw h ALA 74 Cb 1.04 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.86 1qfw h ALA 74 CO 0.46 -0.26 -0.50 0.77 0.00 0.00 0.00 179.25 179.72 1qfw h SER 75 N 0.00 0.30 1.08 0.00 0.02 -1.97 -3.30 113.55 109.69 1qfw h SER 75 Ca 0.08 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1qfw h SER 75 Cb 0.42 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1qfw h SER 75 CO -0.00 1.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.92 1qfw n ALA 76 N -2.64 2.16 -3.48 3.77 0.00 -0.89 -4.94 120.51 114.49 1qfw n ALA 76 Ca -0.12 -0.04 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 1qfw n ALA 76 Cb 0.68 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.74 1qfw n ALA 76 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1qfw n SER 77 N -1.87 -6.04 -3.61 0.00 7.64 0.11 -4.78 113.62 105.06 1qfw n SER 77 Ca 0.05 -0.79 -0.11 0.00 1.01 0.00 0.00 58.87 59.04 1qfw n SER 77 Cb 0.34 -4.06 -0.06 0.00 -1.01 0.00 0.00 64.21 59.42 1qfw n SER 77 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1qfw s THR 78 N -3.34 0.00 0.59 0.44 -1.32 -1.17 -2.13 115.64 108.71 1qfw s THR 78 Ca 0.37 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.86 1qfw s THR 78 Cb -0.10 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1qfw s THR 78 CO 0.81 0.00 0.82 0.00 -2.21 0.00 0.00 174.62 174.05 1qfw s ALA 79 N -0.26 3.83 -0.41 11.08 0.00 -1.24 -1.70 121.76 133.07 1qfw s ALA 79 Ca 0.00 -1.36 0.06 0.00 0.00 0.00 0.00 51.96 50.65 1qfw s ALA 79 Cb -0.03 -2.10 0.17 0.00 0.00 0.00 0.00 23.12 21.16 1qfw s ALA 79 CO -0.02 -0.89 0.52 0.00 0.00 0.00 0.00 175.76 175.37 1qfw s ALA 80 N -2.85 -1.27 -0.17 0.00 0.00 0.11 -2.92 121.76 114.65 1qfw s ALA 80 Ca 0.59 -0.56 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 1qfw s ALA 80 Cb -0.10 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.62 1qfw s ALA 80 CO 0.40 -2.18 1.52 1.41 0.00 0.00 0.00 175.76 176.91 1qfw s MET 81 N 1.41 4.00 -0.47 0.00 1.75 -1.18 -2.70 119.30 122.11 1qfw s MET 81 Ca 0.19 1.76 -0.08 0.00 -1.25 0.00 0.00 55.69 56.31 1qfw s MET 81 Cb -0.08 -3.95 0.12 0.00 2.84 0.00 0.00 34.83 33.76 1qfw s MET 81 CO -0.05 -1.04 0.34 -1.14 -0.65 0.00 0.00 175.02 172.48 1qfw s GLN 82 N 4.21 2.43 0.09 4.11 0.74 -1.02 -1.61 119.66 128.62 1qfw s GLN 82 Ca 0.67 -1.81 -0.22 0.00 0.05 0.00 0.00 55.36 54.05 1qfw s GLN 82 Cb -0.26 -3.88 -0.07 0.00 1.10 0.00 0.00 33.01 29.90 1qfw s GLN 82 CO 0.25 -1.18 0.66 0.00 -0.55 0.00 0.00 175.29 174.47 1qfw s ALA 83 N 1.27 3.51 0.12 1.58 0.00 -0.24 -3.67 121.76 124.32 1qfw s ALA 83 Ca 0.07 0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1qfw s ALA 83 Cb -0.25 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1qfw s ALA 83 CO -0.01 0.31 -0.14 -1.12 0.00 0.00 0.00 175.76 174.80 1qfw s SER 84 N -0.94 1.96 -0.78 0.00 0.01 -1.25 -0.49 113.70 112.21 1qfw s SER 84 Ca 0.32 -0.80 -0.04 0.00 1.31 0.00 0.00 55.95 56.74 1qfw s SER 84 Cb -0.21 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 1qfw s SER 84 CO 0.22 -0.15 0.68 -0.24 0.41 0.00 0.00 173.24 174.15 1qfw n SER 85 N 0.57 -4.85 -4.57 2.44 2.88 -0.55 -4.88 113.62 104.66 1qfw n SER 85 Ca -0.16 -0.50 -0.34 0.00 -1.33 0.00 0.00 58.87 56.54 1qfw n SER 85 Cb 0.57 -3.91 -0.04 0.00 -0.75 0.00 0.00 64.21 60.08 1qfw n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1qfw s LEU 86 N -4.80 3.35 0.00 2.46 2.01 -1.21 -4.92 118.68 115.57 1qfw s LEU 86 Ca 0.28 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 53.11 1qfw s LEU 86 Cb -0.04 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.59 1qfw s LEU 86 CO 0.53 -2.17 0.00 0.35 1.01 0.00 0.00 176.35 176.07 1qfw n THR 87 N 7.34 0.00 -0.03 5.49 -2.24 -1.26 -3.21 114.28 120.38 1qfw n THR 87 Ca 0.39 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 62.06 1qfw n THR 87 Cb 0.48 -0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.03 1qfw n THR 87 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1qfw h SER 88 N 0.00 0.18 -0.68 3.42 0.02 -1.96 -2.58 113.55 111.95 1qfw h SER 88 Ca 0.00 -0.24 0.20 0.00 -0.84 0.00 0.00 61.79 60.91 1qfw h SER 88 Cb 0.00 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1qfw h SER 88 CO 0.00 0.37 0.71 -0.08 -1.14 0.00 0.00 176.83 176.70 1qfw h GLU 89 N -0.02 0.00 0.00 3.45 4.81 -1.96 -3.39 114.58 117.47 1qfw h GLU 89 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1qfw h GLU 89 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1qfw h GLU 89 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 1qfw n ASP 90 N -3.62 0.00 -2.66 1.04 9.92 -0.97 -4.95 116.55 115.30 1qfw n ASP 90 Ca 0.14 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.23 1qfw n ASP 90 Cb 0.95 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.48 1qfw n ASP 90 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1qfw n SER 91 N 0.00 -5.19 0.00 -2.24 7.64 -1.24 -4.93 113.62 107.66 1qfw n SER 91 Ca 0.00 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1qfw n SER 91 Cb 0.00 -3.85 0.00 0.00 -1.01 0.00 0.00 64.21 59.35 1qfw n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1qfw n ALA 92 N -4.02 0.00 -2.64 -0.43 0.00 -1.22 -3.02 120.51 109.19 1qfw n ALA 92 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1qfw n ALA 92 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1qfw n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1qfw s VAL 93 N 1.88 4.69 -0.34 0.00 1.01 -0.76 -0.57 120.40 126.31 1qfw s VAL 93 Ca 0.00 1.66 -0.07 0.00 0.00 0.00 0.00 61.98 63.57 1qfw s VAL 93 Cb 0.00 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 32.15 1qfw s VAL 93 CO 0.00 -0.25 0.11 -0.31 0.00 0.00 0.00 175.10 174.65 1qfw s TYR 94 N 3.19 3.24 0.13 5.22 2.02 0.54 -0.33 117.35 131.37 1qfw s TYR 94 Ca 0.40 -1.32 -0.03 0.00 -0.37 0.00 0.00 57.07 55.75 1qfw s TYR 94 Cb -0.14 -2.29 -0.05 0.00 -0.40 0.00 0.00 41.96 39.08 1qfw s TYR 94 CO 0.10 -0.70 0.33 0.71 -1.57 0.00 0.00 175.55 174.42 1qfw s TYR 95 N 1.43 3.49 -0.18 2.71 1.51 -0.44 -2.80 117.35 123.07 1qfw s TYR 95 Ca -0.01 0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 56.47 1qfw s TYR 95 Cb -0.19 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 1qfw s TYR 95 CO 0.03 0.47 -0.09 0.00 -1.11 0.00 0.00 175.55 174.85 1qfw s ALA 97 N 0.95 2.56 0.42 0.00 0.00 -0.57 -0.57 121.76 124.54 1qfw s ALA 97 Ca -0.01 -2.07 0.08 0.00 0.00 0.00 0.00 51.96 49.95 1qfw s ALA 97 Cb -0.15 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1qfw s ALA 97 CO -0.00 -0.18 0.36 1.03 0.00 0.00 0.00 175.76 176.96 1qfw s ARG 98 N -3.79 2.50 -0.09 0.00 0.52 -1.10 -1.20 118.95 115.79 1qfw s ARG 98 Ca 0.34 -1.57 -0.01 0.00 -0.52 0.00 0.00 55.73 53.97 1qfw s ARG 98 Cb 0.07 -2.33 0.03 0.00 0.52 0.00 0.00 34.95 33.24 1qfw s ARG 98 CO 0.15 -0.19 -0.00 0.50 0.02 0.00 0.00 175.30 175.78 1qfw s ARG 99 N -4.11 0.74 -0.12 3.54 3.00 -1.25 -3.86 118.95 116.89 1qfw s ARG 99 Ca 0.47 -0.01 0.15 0.00 -1.00 0.00 0.00 55.73 55.34 1qfw s ARG 99 Cb -0.02 -1.21 0.36 0.00 0.00 0.00 0.00 34.95 34.08 1qfw s ARG 99 CO 0.27 -0.34 1.26 0.98 0.00 0.00 0.00 175.30 177.47 1qfw n TYR 100 N 5.11 0.46 0.00 5.12 9.36 0.21 -4.26 117.16 133.16 1qfw n TYR 100 Ca -0.08 -0.83 0.00 0.00 3.32 0.00 0.00 57.90 60.31 1qfw n TYR 100 Cb 0.50 -0.19 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 1qfw n TYR 100 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qfw n GLY 101 N -0.69 0.00 2.63 2.98 0.00 -1.26 -4.81 105.19 104.04 1qfw n GLY 101 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1qfw n GLY 101 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qfw n ASN 102 N 0.00 -1.36 -4.25 1.61 5.03 -1.26 -4.94 115.26 110.09 1qfw n ASN 102 Ca 0.00 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.20 1qfw n ASN 102 Cb 0.00 -0.37 -0.09 0.00 -1.02 0.00 0.00 39.78 38.30 1qfw n ASN 102 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1qfw s SER 103 N -2.54 2.72 -0.31 6.41 1.04 -1.26 -5.11 113.70 114.65 1qfw s SER 103 Ca 0.00 -1.59 -0.06 0.00 0.48 0.00 0.00 55.95 54.79 1qfw s SER 103 Cb 0.00 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1qfw s SER 103 CO 0.00 -0.84 0.07 -0.36 0.98 0.00 0.00 173.24 173.09 1qfw s PHE 104 N -3.23 3.19 -0.08 5.02 0.40 -1.25 0.67 117.98 122.70 1qfw s PHE 104 Ca 0.26 -1.31 -0.18 0.00 -0.60 0.00 0.00 56.93 55.10 1qfw s PHE 104 Cb 0.04 -2.22 -0.29 0.00 0.51 0.00 0.00 43.02 41.06 1qfw s PHE 104 CO 0.14 -0.68 0.71 0.38 0.70 0.00 0.00 175.22 176.47 1qfw h ASP 105 N 8.18 0.43 -3.12 1.36 3.04 -1.92 -3.47 116.42 120.91 1qfw h ASP 105 Ca -0.27 -0.89 -0.64 0.00 -3.24 0.00 0.00 57.03 51.99 1qfw h ASP 105 Cb 1.10 -0.14 -0.08 0.00 -1.04 0.00 0.00 39.33 39.17 1qfw h ASP 105 CO 0.59 1.53 -0.58 -0.31 -2.04 0.00 0.00 179.24 178.43 1qfw s TYR 106 N -2.46 3.27 0.02 4.15 1.51 -1.26 -5.04 117.35 117.54 1qfw s TYR 106 Ca -0.17 0.13 0.01 0.00 -1.01 0.00 0.00 57.07 56.03 1qfw s TYR 106 Cb 0.03 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 1qfw s TYR 106 CO 0.80 0.54 -0.04 -1.58 -1.11 0.00 0.00 175.55 174.15 1qfw s TRP 107 N -1.38 0.37 1.19 2.71 0.52 -1.26 -2.71 118.94 118.38 1qfw s TRP 107 Ca 0.29 -0.32 -0.18 0.00 0.02 0.00 0.00 56.10 55.92 1qfw s TRP 107 Cb -0.12 -0.24 0.28 0.00 -1.15 0.00 0.00 33.47 32.24 1qfw s TRP 107 CO 0.22 -0.08 1.07 0.20 0.02 0.00 0.00 176.95 178.38 1qfw s GLY 108 N -0.91 1.55 0.37 0.98 0.00 0.27 -4.91 107.32 104.67 1qfw s GLY 108 Ca -0.07 -0.72 0.17 0.00 0.00 0.00 0.00 44.72 44.11 1qfw s GLY 108 CO -0.00 0.11 1.76 1.46 0.00 0.00 0.00 173.10 176.43 1qfw h GLN 109 N -2.58 0.00 0.00 2.90 4.20 -1.78 -3.44 115.11 114.41 1qfw h GLN 109 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 1qfw h GLN 109 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1qfw h GLN 109 CO 0.41 0.39 0.00 0.41 -0.67 0.00 0.00 178.83 179.36 1qfw n GLY 110 N 0.04 2.78 3.58 3.46 0.00 -1.26 -5.06 105.19 108.72 1qfw n GLY 110 Ca -0.01 -2.05 -0.15 0.00 0.00 0.00 0.00 46.02 43.82 1qfw n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qfw s THR 111 N -2.08 0.00 -0.01 2.61 2.01 -1.12 -4.03 115.64 113.02 1qfw s THR 111 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 1qfw s THR 111 Cb 0.00 -1.00 -0.00 0.00 0.01 0.00 0.00 72.50 71.51 1qfw s THR 111 CO 0.00 0.00 -0.09 0.28 -0.69 0.00 0.00 174.62 174.12 1qfw s THR 112 N -0.41 0.72 -0.34 -0.82 -1.32 -1.23 0.20 115.64 112.45 1qfw s THR 112 Ca -0.04 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1qfw s THR 112 Cb -0.03 -0.61 0.14 0.00 -1.51 0.00 0.00 72.50 70.49 1qfw s THR 112 CO 0.04 0.21 0.25 -0.69 -2.21 0.00 0.00 174.62 172.21 1qfw s VAL 113 N -0.12 -0.07 0.53 5.08 1.01 0.26 -2.00 120.40 125.10 1qfw s VAL 113 Ca 0.02 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 1qfw s VAL 113 Cb -0.05 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.38 1qfw s VAL 113 CO -0.00 -0.79 0.80 0.42 0.00 0.00 0.00 175.10 175.52 1qfw s THR 114 N 1.46 3.63 0.57 3.92 -4.23 0.67 -3.37 115.64 118.30 1qfw s THR 114 Ca 0.15 -0.28 0.07 0.00 -1.18 0.00 0.00 61.69 60.45 1qfw s THR 114 Cb -0.19 -3.40 0.08 0.00 1.34 0.00 0.00 72.50 70.33 1qfw s THR 114 CO -0.10 -0.34 0.79 -0.69 -0.54 0.00 0.00 174.62 173.74 1qfw s VAL 115 N -2.80 2.33 0.00 2.29 1.01 -1.26 -2.59 120.40 119.38 1qfw s VAL 115 Ca 0.52 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1qfw s VAL 115 Cb -0.10 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1qfw s VAL 115 CO 0.41 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.97 1qfw n SER 116 N -2.28 0.13 -0.59 3.32 3.41 -1.26 -4.88 113.62 111.47 1qfw n SER 116 Ca 0.14 -0.88 0.07 0.00 -0.26 0.00 0.00 58.87 57.94 1qfw n SER 116 Cb 0.61 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.62 1qfw n SER 116 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68