#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpf n PRO 11 N 0.00 1.77 -3.60 1.64 -0.04 -1.26 -4.49 135.00 129.02 2qpf n PRO 11 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2qpf n PRO 11 Cb 0.00 -0.17 -0.16 0.00 -0.04 0.00 0.00 33.50 33.13 2qpf n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2qpf s LEU 12 N -0.15 0.17 0.13 1.53 2.96 -1.25 0.02 118.68 122.08 2qpf s LEU 12 Ca 0.00 -0.33 0.11 0.00 -0.22 0.00 0.00 54.13 53.68 2qpf s LEU 12 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.62 2qpf s LEU 12 CO 0.00 -0.32 -0.26 -0.04 -1.32 0.00 0.00 176.35 174.41 2qpf s MET 13 N 2.20 1.44 -0.06 1.98 -1.94 -0.34 -4.38 119.30 118.20 2qpf s MET 13 Ca 0.04 -1.34 0.03 0.00 -1.71 0.00 0.00 55.69 52.71 2qpf s MET 13 Cb -0.15 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.78 2qpf s MET 13 CO -0.09 0.45 -0.17 0.08 -0.01 0.00 0.00 175.02 175.29 2qpf s VAL 14 N -1.08 1.46 -0.08 -6.03 1.01 -1.00 -0.53 120.40 114.15 2qpf s VAL 14 Ca 0.15 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2qpf s VAL 14 Cb -0.10 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.01 2qpf s VAL 14 CO 0.06 0.42 -0.12 -0.54 0.00 0.00 0.00 175.10 174.93 2qpf s LYS 15 N 0.34 1.78 -0.07 2.72 1.02 -0.10 -0.11 119.74 125.33 2qpf s LYS 15 Ca -0.11 -0.42 0.03 0.00 0.02 0.00 0.00 55.97 55.48 2qpf s LYS 15 Cb -0.15 -1.52 0.01 0.00 -0.52 0.00 0.00 37.83 35.65 2qpf s LYS 15 CO 0.04 -0.03 -0.14 0.08 -0.92 0.00 0.00 175.35 174.39 2qpf s VAL 16 N 0.86 1.24 0.18 3.17 1.01 0.53 -0.46 120.40 126.94 2qpf s VAL 16 Ca -0.11 -0.54 0.11 0.00 0.00 0.00 0.00 61.98 61.44 2qpf s VAL 16 Cb -0.15 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2qpf s VAL 16 CO 0.01 0.38 -0.20 -0.76 0.00 0.00 0.00 175.10 174.53 2qpf s LEU 17 N 0.60 2.59 -0.31 3.92 1.43 0.25 -1.21 118.68 125.95 2qpf s LEU 17 Ca -0.14 -0.76 -0.06 0.00 -1.03 0.00 0.00 54.13 52.14 2qpf s LEU 17 Cb -0.16 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.76 2qpf s LEU 17 CO 0.04 0.12 0.07 -0.62 0.23 0.00 0.00 176.35 176.19 2qpf s ASP 18 N -2.65 5.10 0.21 2.29 -1.08 0.36 -1.44 116.67 119.47 2qpf s ASP 18 Ca 0.21 -0.97 0.25 0.00 -0.52 0.00 0.00 52.55 51.52 2qpf s ASP 18 Cb -0.08 -1.84 0.87 0.00 -1.46 0.00 0.00 42.92 40.41 2qpf s ASP 18 CO 0.11 -0.25 1.76 0.00 0.52 0.00 0.00 175.17 177.31 2qpf n ALA 19 N 4.80 2.12 0.04 3.66 0.00 -0.19 -1.08 120.51 129.86 2qpf n ALA 19 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 2qpf n ALA 19 Cb 0.46 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 2qpf n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qpf h VAL 20 N 0.00 1.34 0.00 0.00 2.07 -1.95 -3.39 116.25 114.32 2qpf h VAL 20 Ca 0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 2qpf h VAL 20 Cb 0.63 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.43 2qpf h VAL 20 CO 0.00 0.72 -1.33 0.54 0.02 0.00 0.00 177.57 177.52 2qpf n ARG 21 N -4.03 0.41 -3.04 1.57 1.74 -1.22 -4.99 116.66 107.09 2qpf n ARG 21 Ca -0.18 -0.05 -0.12 0.00 -0.77 0.00 0.00 57.85 56.73 2qpf n ARG 21 Cb 0.87 -1.59 0.06 0.00 -1.02 0.00 0.00 32.46 30.79 2qpf n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qpf n GLY 22 N 1.33 -0.13 3.34 -0.13 0.00 -0.24 -5.03 105.19 104.33 2qpf n GLY 22 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2qpf n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qpf s SER 23 N -3.94 0.07 0.59 1.61 1.04 -1.16 -5.01 113.70 106.90 2qpf s SER 23 Ca 0.02 -1.09 -0.19 0.00 0.48 0.00 0.00 55.95 55.17 2qpf s SER 23 Cb -0.01 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2qpf s SER 23 CO 0.52 -0.93 1.22 -2.84 0.98 0.00 0.00 173.24 172.20 2qpf s PRO 24 N -4.05 2.98 -0.52 4.02 0.02 -1.26 -0.49 135.00 135.70 2qpf s PRO 24 Ca 0.27 1.87 -0.23 0.00 0.02 0.00 0.00 61.00 62.92 2qpf s PRO 24 Cb 0.04 -1.96 0.04 0.00 0.02 0.00 0.00 34.50 32.64 2qpf s PRO 24 CO 0.07 -1.21 0.86 0.00 -0.33 0.00 0.00 177.00 176.39 2qpf s ALA 25 N -1.56 3.22 0.05 -1.55 0.00 -0.35 -4.58 121.76 117.00 2qpf s ALA 25 Ca 0.77 -1.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 2qpf s ALA 25 Cb -0.31 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.13 2qpf s ALA 25 CO 0.34 -2.21 0.38 0.08 0.00 0.00 0.00 175.76 174.36 2qpf s VAL 26 N 3.61 5.11 -1.53 0.00 1.01 -1.26 -4.28 120.40 123.06 2qpf s VAL 26 Ca 0.29 0.52 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 2qpf s VAL 26 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2qpf s VAL 26 CO 0.19 0.38 0.08 -0.67 0.00 0.00 0.00 175.10 175.08 2qpf n ASP 27 N 1.18 -5.33 -4.68 3.32 2.03 -0.65 -4.96 116.55 107.47 2qpf n ASP 27 Ca -0.10 -0.05 -0.43 0.00 0.52 0.00 0.00 54.79 54.73 2qpf n ASP 27 Cb 0.52 -4.36 -0.02 0.00 -0.72 0.00 0.00 41.12 36.54 2qpf n ASP 27 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2qpf s VAL 28 N -2.94 4.29 0.06 5.18 1.01 -1.26 -4.73 120.40 122.01 2qpf s VAL 28 Ca 0.04 1.59 -0.31 0.00 0.00 0.00 0.00 61.98 63.30 2qpf s VAL 28 Cb -0.02 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2qpf s VAL 28 CO 0.05 -0.05 1.26 0.00 0.00 0.00 0.00 175.10 176.36 2qpf s ALA 29 N 2.68 3.46 -0.09 5.51 0.00 -1.26 -1.73 121.76 130.33 2qpf s ALA 29 Ca 0.55 0.91 0.04 0.00 0.00 0.00 0.00 51.96 53.46 2qpf s ALA 29 Cb -0.23 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.40 2qpf s ALA 29 CO 0.19 -0.54 -0.24 0.08 0.00 0.00 0.00 175.76 175.25 2qpf s VAL 30 N 1.26 2.02 -0.09 0.00 1.01 0.10 -1.09 120.40 123.60 2qpf s VAL 30 Ca 0.60 -1.00 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2qpf s VAL 30 Cb -0.31 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.34 2qpf s VAL 30 CO 0.29 0.55 -0.12 -0.54 0.00 0.00 0.00 175.10 175.28 2qpf s LYS 31 N 0.29 1.87 -0.13 2.72 1.02 -0.75 -1.25 119.74 123.51 2qpf s LYS 31 Ca -0.17 -0.44 -0.04 0.00 0.02 0.00 0.00 55.97 55.35 2qpf s LYS 31 Cb -0.17 -1.64 -0.03 0.00 -0.52 0.00 0.00 37.83 35.46 2qpf s LYS 31 CO 0.08 -0.08 0.00 0.08 -0.92 0.00 0.00 175.35 174.52 2qpf s VAL 32 N 1.04 4.29 0.20 3.17 1.01 0.13 -0.97 120.40 129.27 2qpf s VAL 32 Ca -0.07 -0.23 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2qpf s VAL 32 Cb -0.15 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2qpf s VAL 32 CO -0.01 0.54 -0.14 -0.36 0.00 0.00 0.00 175.10 175.13 2qpf s PHE 33 N -0.24 1.65 -0.06 5.22 0.40 0.81 -0.89 117.98 124.87 2qpf s PHE 33 Ca 0.06 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 2qpf s PHE 33 Cb -0.12 -0.78 0.02 0.00 0.51 0.00 0.00 43.02 42.65 2qpf s PHE 33 CO 0.02 0.32 -0.08 0.21 0.70 0.00 0.00 175.22 176.39 2qpf s LYS 34 N -3.64 1.25 -0.02 0.44 2.20 0.55 -0.74 119.74 119.79 2qpf s LYS 34 Ca 0.22 -0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 2qpf s LYS 34 Cb -0.00 -1.16 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 2qpf s LYS 34 CO 0.06 -0.07 1.20 0.21 -0.36 0.00 0.00 175.35 176.40 2qpf s LYS 35 N 0.94 4.38 0.85 4.03 2.20 0.29 -1.42 119.74 131.01 2qpf s LYS 35 Ca -0.10 1.70 -0.07 0.00 -0.36 0.00 0.00 55.97 57.14 2qpf s LYS 35 Cb -0.15 -3.50 0.18 0.00 -1.51 0.00 0.00 37.83 32.85 2qpf s LYS 35 CO 0.01 -0.39 1.16 0.95 -0.36 0.00 0.00 175.35 176.71 2qpf s THR 36 N 1.89 2.02 0.24 3.43 -4.23 -0.33 -4.63 115.64 114.03 2qpf s THR 36 Ca 0.57 -0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 60.67 2qpf s THR 36 Cb -0.26 -2.66 0.14 0.00 1.34 0.00 0.00 72.50 71.06 2qpf s THR 36 CO 0.24 0.00 1.78 0.28 -0.54 0.00 0.00 174.62 176.38 2qpf h SER 37 N -1.07 0.95 1.14 3.99 0.02 -1.96 -2.48 113.55 114.13 2qpf h SER 37 Ca -0.39 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.37 2qpf h SER 37 Cb 1.24 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.53 2qpf h SER 37 CO 0.36 0.90 -0.08 1.05 -1.14 0.00 0.00 176.83 177.92 2qpf h GLU 38 N 0.97 0.00 0.00 3.45 4.11 -2.03 -3.47 114.58 117.62 2qpf h GLU 38 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2qpf h GLU 38 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2qpf h GLU 38 CO -0.00 0.08 0.00 0.41 0.07 0.00 0.00 179.01 179.56 2qpf n GLY 39 N 0.24 1.32 3.95 1.06 0.00 -0.93 -5.12 105.19 105.71 2qpf n GLY 39 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2qpf n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qpf s SER 40 N -2.00 6.32 -0.48 1.61 0.01 -1.26 -4.81 113.70 113.09 2qpf s SER 40 Ca 0.00 0.25 -0.18 0.00 1.31 0.00 0.00 55.95 57.33 2qpf s SER 40 Cb 0.00 -1.94 0.05 0.00 0.21 0.00 0.00 66.02 64.34 2qpf s SER 40 CO 0.00 -0.15 0.54 0.26 0.41 0.00 0.00 173.24 174.30 2qpf s TRP 41 N -2.09 3.12 -0.01 2.43 0.52 -1.26 -1.19 118.94 120.46 2qpf s TRP 41 Ca 0.37 -0.56 -0.18 0.00 0.02 0.00 0.00 56.10 55.75 2qpf s TRP 41 Cb -0.09 -3.31 -0.05 0.00 -1.15 0.00 0.00 33.47 28.86 2qpf s TRP 41 CO 0.32 -0.90 0.49 -1.83 0.02 0.00 0.00 176.95 175.05 2qpf s GLU 42 N 2.33 4.16 0.26 4.98 -1.05 -0.51 -4.83 118.70 124.03 2qpf s GLU 42 Ca 0.13 0.55 -0.31 0.00 -0.15 0.00 0.00 54.97 55.19 2qpf s GLU 42 Cb -0.19 -3.30 -0.13 0.00 -0.44 0.00 0.00 34.13 30.07 2qpf s GLU 42 CO 0.12 0.49 1.41 -2.30 0.95 0.00 0.00 175.26 175.93 2qpf n PRO 43 N 2.41 2.12 -0.02 -4.83 -0.02 -1.26 -0.33 135.00 133.07 2qpf n PRO 43 Ca -0.10 0.75 -0.03 0.00 -2.02 0.00 0.00 63.50 62.10 2qpf n PRO 43 Cb 0.52 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 2qpf n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qpf n PHE 44 N 1.75 0.00 -3.70 6.00 7.35 -0.07 -4.78 117.46 124.02 2qpf n PHE 44 Ca 0.10 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.72 2qpf n PHE 44 Cb 0.33 -0.13 -0.02 0.00 0.35 0.00 0.00 39.48 40.00 2qpf n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qpf s ALA 45 N -2.07 -1.46 0.14 3.13 0.00 -1.08 -5.02 121.76 115.42 2qpf s ALA 45 Ca -0.05 0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.76 2qpf s ALA 45 Cb 0.02 0.78 0.07 0.00 0.00 0.00 0.00 23.12 23.98 2qpf s ALA 45 CO 0.07 -0.94 0.73 -1.54 0.00 0.00 0.00 175.76 174.07 2qpf s SER 46 N -2.84 -0.43 0.00 0.00 1.04 -1.26 0.22 113.70 110.43 2qpf s SER 46 Ca 0.08 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2qpf s SER 46 Cb -0.03 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2qpf s SER 46 CO -0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2qpf n GLY 47 N -0.37 -1.59 3.17 7.32 0.00 -0.38 -4.97 105.19 108.37 2qpf n GLY 47 Ca -0.12 -1.06 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 2qpf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpf s LYS 48 N -1.49 0.95 0.35 1.61 1.02 -1.26 0.01 119.74 120.93 2qpf s LYS 48 Ca 0.00 -0.87 -0.28 0.00 0.02 0.00 0.00 55.97 54.84 2qpf s LYS 48 Cb 0.00 -0.99 -0.10 0.00 -0.52 0.00 0.00 37.83 36.22 2qpf s LYS 48 CO 0.00 0.24 1.28 0.95 -0.92 0.00 0.00 175.35 176.89 2qpf s THR 49 N -1.01 2.79 0.10 2.17 -4.23 -0.71 -4.77 115.64 109.99 2qpf s THR 49 Ca 0.01 0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 61.27 2qpf s THR 49 Cb -0.09 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.31 2qpf s THR 49 CO 0.02 0.15 0.13 0.00 -0.54 0.00 0.00 174.62 174.38 2qpf n ALA 50 N 0.57 -0.17 0.27 3.99 0.00 -0.67 -1.63 120.51 122.88 2qpf n ALA 50 Ca 0.01 -0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.42 2qpf n ALA 50 Cb 0.43 -0.01 0.78 0.00 0.00 0.00 0.00 19.45 20.65 2qpf n ALA 50 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qpf h GLU 51 N 0.00 0.00 0.00 0.00 4.11 -1.95 -1.37 114.58 115.38 2qpf h GLU 51 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2qpf h GLU 51 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2qpf h GLU 51 CO 0.03 0.09 0.00 -1.13 0.07 0.00 0.00 179.01 178.07 2qpf n SER 52 N -3.68 0.46 0.00 3.06 3.41 -1.26 -4.77 113.62 110.84 2qpf n SER 52 Ca -0.02 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2qpf n SER 52 Cb 0.20 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2qpf n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qpf n GLY 53 N 0.32 0.75 3.55 5.00 0.00 -0.51 -4.74 105.19 109.55 2qpf n GLY 53 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2qpf n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qpf s GLU 54 N -0.15 2.38 -0.18 1.61 2.02 -1.26 -0.35 118.70 122.77 2qpf s GLU 54 Ca 0.00 -0.82 -0.00 0.00 0.02 0.00 0.00 54.97 54.16 2qpf s GLU 54 Cb 0.00 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.84 2qpf s GLU 54 CO 0.00 0.58 -0.15 -1.17 0.02 0.00 0.00 175.26 174.54 2qpf s LEU 55 N -1.49 2.40 0.32 1.80 2.96 0.84 -1.66 118.68 123.84 2qpf s LEU 55 Ca 0.17 -0.55 0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2qpf s LEU 55 Cb -0.11 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 2qpf s LEU 55 CO 0.07 0.01 -0.03 -1.00 -1.32 0.00 0.00 176.35 174.09 2qpf s HIS 56 N 1.23 2.52 -1.13 5.38 3.76 -1.26 -2.38 115.29 123.40 2qpf s HIS 56 Ca 0.03 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.54 2qpf s HIS 56 Cb -0.14 -1.35 0.00 0.00 1.11 0.00 0.00 32.58 32.20 2qpf s HIS 56 CO -0.07 0.55 0.07 0.41 -0.85 0.00 0.00 174.74 174.85 2qpf n GLY 57 N -0.88 -0.17 0.29 -2.22 0.00 -1.26 -4.93 105.19 96.02 2qpf n GLY 57 Ca -0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 2qpf n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qpf h LEU 58 N -0.16 0.87 0.00 0.99 3.38 -1.88 -3.48 115.31 115.03 2qpf h LEU 58 Ca -0.32 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.27 2qpf h LEU 58 Cb 1.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2qpf h LEU 58 CO 0.38 0.97 0.01 1.07 0.09 0.00 0.00 178.44 180.95 2qpf n THR 59 N -4.17 0.00 -4.55 0.22 5.66 -1.26 -4.74 114.28 105.44 2qpf n THR 59 Ca 0.02 -1.00 -0.26 0.00 -3.05 0.00 0.00 64.05 59.76 2qpf n THR 59 Cb 0.36 0.71 -0.11 0.00 -1.55 0.00 0.00 70.33 69.74 2qpf n THR 59 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2qpf s THR 60 N -2.59 2.18 0.25 1.09 -4.23 -1.26 -4.56 115.64 106.52 2qpf s THR 60 Ca 0.16 -2.18 -0.05 0.00 -1.18 0.00 0.00 61.69 58.45 2qpf s THR 60 Cb -0.02 -2.68 0.19 0.00 1.34 0.00 0.00 72.50 71.33 2qpf s THR 60 CO 0.12 -0.18 1.84 0.44 -0.54 0.00 0.00 174.62 176.30 2qpf h ASP 61 N 2.00 1.00 -0.54 3.99 3.32 -1.92 -0.18 116.42 124.09 2qpf h ASP 61 Ca -0.42 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 56.42 2qpf h ASP 61 Cb 1.25 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 2qpf h ASP 61 CO 0.72 0.86 0.04 -0.33 -1.72 0.00 0.00 179.24 178.80 2qpf h GLU 62 N 1.08 0.97 0.00 3.56 4.39 -1.97 -3.20 114.58 119.41 2qpf h GLU 62 Ca 0.26 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2qpf h GLU 62 Cb 0.14 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2qpf h GLU 62 CO -0.03 0.93 -0.70 -0.22 -1.16 0.00 0.00 179.01 177.83 2qpf h LYS 63 N 0.90 0.00 -4.40 2.33 3.64 -1.91 -3.40 116.57 113.73 2qpf h LYS 63 Ca 0.17 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.82 2qpf h LYS 63 Cb 0.47 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.16 2qpf h LYS 63 CO 0.02 0.08 1.93 0.34 -2.27 0.00 0.00 179.45 179.55 2qpf n PHE 64 N -2.88 4.06 -2.07 1.91 7.35 -0.10 -4.93 117.46 120.80 2qpf n PHE 64 Ca 0.00 -3.04 -0.27 0.00 -0.76 0.00 0.00 57.45 53.38 2qpf n PHE 64 Cb 0.60 -2.22 0.09 0.00 0.35 0.00 0.00 39.48 38.30 2qpf n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2qpf s VAL 65 N 1.75 2.14 0.25 -2.13 -7.23 -1.26 -4.94 120.40 108.97 2qpf s VAL 65 Ca 0.44 -0.15 -0.31 0.00 -1.81 0.00 0.00 61.98 60.15 2qpf s VAL 65 Cb 0.04 -2.99 -0.12 0.00 0.56 0.00 0.00 36.38 33.88 2qpf s VAL 65 CO 0.00 0.00 1.66 -0.70 -0.31 0.00 0.00 175.10 175.76 2qpf s GLU 66 N -5.43 4.12 0.00 4.82 2.12 -1.26 -4.82 118.70 118.25 2qpf s GLU 66 Ca 0.62 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.55 2qpf s GLU 66 Cb -0.10 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.24 2qpf s GLU 66 CO 0.47 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 2qpf n GLY 67 N 3.12 -2.13 3.64 -1.50 0.00 -1.05 -5.02 105.19 102.26 2qpf n GLY 67 Ca 0.12 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 2qpf n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpf s VAL 68 N -2.01 5.29 0.21 1.61 1.01 -1.26 -0.47 120.40 124.79 2qpf s VAL 68 Ca 0.00 0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.43 2qpf s VAL 68 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2qpf s VAL 68 CO 0.00 0.28 -0.16 -0.31 0.00 0.00 0.00 175.10 174.91 2qpf s TYR 69 N 1.40 2.45 -0.10 5.22 1.51 0.05 -0.55 117.35 127.34 2qpf s TYR 69 Ca 0.11 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 2qpf s TYR 69 Cb -0.15 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 2qpf s TYR 69 CO 0.07 0.56 -0.02 0.50 -1.11 0.00 0.00 175.55 175.55 2qpf s ARG 70 N -2.98 0.89 -0.30 -0.62 3.52 0.08 -1.81 118.95 117.72 2qpf s ARG 70 Ca 0.25 -0.09 -0.08 0.00 -0.13 0.00 0.00 55.73 55.69 2qpf s ARG 70 Cb -0.08 -1.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.99 2qpf s ARG 70 CO 0.14 -0.34 0.11 0.08 -0.81 0.00 0.00 175.30 174.47 2qpf s VAL 71 N 1.87 4.21 -0.20 7.11 1.01 -0.19 -0.13 120.40 134.08 2qpf s VAL 71 Ca 0.04 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2qpf s VAL 71 Cb -0.13 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2qpf s VAL 71 CO -0.06 0.09 -0.03 -0.70 0.00 0.00 0.00 175.10 174.39 2qpf s GLU 72 N 1.55 3.50 -0.18 2.72 2.12 -0.14 -0.58 118.70 127.68 2qpf s GLU 72 Ca 0.04 -0.58 -0.12 0.00 0.36 0.00 0.00 54.97 54.67 2qpf s GLU 72 Cb -0.17 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.16 2qpf s GLU 72 CO 0.04 -0.05 0.23 -0.51 -0.54 0.00 0.00 175.26 174.43 2qpf s LEU 73 N 1.12 4.22 -1.27 2.70 1.43 0.17 -1.81 118.68 125.24 2qpf s LEU 73 Ca 0.02 0.37 -0.18 0.00 -1.03 0.00 0.00 54.13 53.31 2qpf s LEU 73 Cb -0.15 -2.25 0.08 0.00 0.03 0.00 0.00 46.19 43.90 2qpf s LEU 73 CO 0.00 0.12 1.68 -0.62 0.23 0.00 0.00 176.35 177.76 2qpf s ASP 74 N 0.50 6.85 0.16 2.29 -1.08 -0.25 -2.00 116.67 123.14 2qpf s ASP 74 Ca 0.13 -2.47 -0.01 0.00 -0.52 0.00 0.00 52.55 49.68 2qpf s ASP 74 Cb -0.12 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.77 2qpf s ASP 74 CO 0.02 -1.13 1.37 0.71 0.52 0.00 0.00 175.17 176.66 2qpf h THR 75 N 5.52 1.42 -0.15 1.71 1.35 -1.89 -3.14 112.91 117.73 2qpf h THR 75 Ca 0.42 -2.38 0.03 0.00 -0.55 0.00 0.00 66.41 63.92 2qpf h THR 75 Cb 0.88 2.32 -0.03 0.00 -1.73 0.00 0.00 68.15 69.60 2qpf h THR 75 CO 1.43 0.71 -0.02 0.50 -0.25 0.00 0.00 175.52 177.88 2qpf h LYS 76 N 0.21 0.02 -0.74 4.72 3.64 -1.73 -1.75 116.57 120.94 2qpf h LYS 76 Ca -0.05 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 2qpf h LYS 76 Cb 1.46 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.23 2qpf h LYS 76 CO 0.14 0.01 0.47 0.77 -2.27 0.00 0.00 179.45 178.58 2qpf h SER 77 N 0.02 0.79 0.07 4.20 0.02 -1.87 -0.47 113.55 116.31 2qpf h SER 77 Ca 0.07 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2qpf h SER 77 Cb 0.10 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 2qpf h SER 77 CO -0.14 0.55 -0.11 0.22 -1.14 0.00 0.00 176.83 176.21 2qpf h TYR 78 N 0.93 -0.28 -0.66 3.45 3.20 -1.42 -0.82 116.97 121.37 2qpf h TYR 78 Ca 0.29 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 2qpf h TYR 78 Cb -0.02 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2qpf h TYR 78 CO -0.03 -0.17 0.22 -1.49 -1.64 0.00 0.00 178.16 175.05 2qpf h TRP 79 N -0.22 1.06 0.00 -3.82 4.06 -1.14 -3.06 115.95 112.82 2qpf h TRP 79 Ca 0.02 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.80 2qpf h TRP 79 Cb 0.24 -0.31 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 2qpf h TRP 79 CO -0.14 0.85 -0.31 0.87 -3.56 0.00 0.00 178.44 176.15 2qpf h LYS 80 N 0.96 0.00 0.00 0.49 1.57 -0.84 -0.72 116.57 118.03 2qpf h LYS 80 Ca 0.22 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2qpf h LYS 80 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2qpf h LYS 80 CO -0.01 0.31 -0.23 1.15 -0.57 0.00 0.00 179.45 180.10 2qpf h THR 81 N 0.00 0.62 -0.50 -0.16 2.02 -1.06 -2.97 112.91 110.87 2qpf h THR 81 Ca -0.00 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.13 2qpf h THR 81 Cb 0.66 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2qpf h THR 81 CO 0.04 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.33 2qpf n LEU 82 N -3.49 3.10 -0.51 2.58 4.77 -0.40 -4.93 117.00 118.13 2qpf n LEU 82 Ca -0.00 -1.56 -0.07 0.00 -0.03 0.00 0.00 56.01 54.35 2qpf n LEU 82 Cb 0.39 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2qpf n LEU 82 CO 0.33 0.66 -0.06 0.61 -1.33 0.00 0.00 177.39 177.59 2qpf n GLY 83 N 1.14 0.89 3.40 -0.72 0.00 -1.10 -5.02 105.19 103.78 2qpf n GLY 83 Ca 0.18 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 2qpf n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpf s ILE 84 N -2.22 3.01 -0.47 -0.61 1.01 -0.50 -5.00 121.20 116.42 2qpf s ILE 84 Ca 0.00 -0.70 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 2qpf s ILE 84 Cb 0.00 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.28 2qpf s ILE 84 CO 0.00 0.55 0.58 -0.94 0.00 0.00 0.00 174.94 175.13 2qpf s SER 85 N -0.02 6.24 0.56 3.58 1.04 -1.26 -2.76 113.70 121.07 2qpf s SER 85 Ca -0.04 -0.71 -0.02 0.00 0.48 0.00 0.00 55.95 55.67 2qpf s SER 85 Cb -0.14 -2.28 0.02 0.00 0.10 0.00 0.00 66.02 63.72 2qpf s SER 85 CO 0.04 -0.78 0.82 -2.16 0.98 0.00 0.00 173.24 172.13 2qpf s PRO 86 N 2.54 2.70 -0.08 4.02 0.04 -1.26 -5.00 135.00 137.96 2qpf s PRO 86 Ca 0.16 -0.45 -0.26 0.00 0.04 0.00 0.00 61.00 60.49 2qpf s PRO 86 Cb -0.17 -2.41 -0.22 0.00 0.04 0.00 0.00 34.50 31.74 2qpf s PRO 86 CO 0.14 -0.68 0.96 0.35 0.04 0.00 0.00 177.00 177.81 2qpf h PHE 87 N -0.01 -0.03 -3.65 0.56 3.57 -1.27 -3.47 116.94 112.64 2qpf h PHE 87 Ca -0.44 -0.00 -0.50 0.00 3.53 0.00 0.00 57.97 60.55 2qpf h PHE 87 Cb 1.28 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 2qpf h PHE 87 CO 0.41 0.67 0.12 -1.01 -2.23 0.00 0.00 178.31 176.27 2qpf s HIS 88 N -3.18 3.55 0.19 0.41 3.76 -1.26 -4.98 115.29 113.78 2qpf s HIS 88 Ca -0.16 1.36 -0.07 0.00 -0.15 0.00 0.00 55.06 56.03 2qpf s HIS 88 Cb -0.01 -2.61 0.10 0.00 1.11 0.00 0.00 32.58 31.17 2qpf s HIS 88 CO 0.64 0.23 1.60 0.93 -0.85 0.00 0.00 174.74 177.30 2qpf h GLU 89 N 2.96 0.93 -2.68 1.40 4.39 -1.99 -3.37 114.58 116.22 2qpf h GLU 89 Ca -0.48 -0.36 0.10 0.00 0.34 0.00 0.00 59.36 58.96 2qpf h GLU 89 Cb 1.19 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.76 2qpf h GLU 89 CO 0.65 1.02 0.46 -0.59 -1.16 0.00 0.00 179.01 179.39 2qpf s PHE 90 N -4.73 0.05 -0.19 4.33 -0.12 -1.26 -3.86 117.98 112.21 2qpf s PHE 90 Ca -0.11 -0.53 0.01 0.00 -0.05 0.00 0.00 56.93 56.25 2qpf s PHE 90 Cb 0.13 0.74 0.04 0.00 -0.63 0.00 0.00 43.02 43.30 2qpf s PHE 90 CO 0.85 -1.13 -0.11 0.00 -0.05 0.00 0.00 175.22 174.79 2qpf s ALA 91 N -2.42 1.94 0.24 1.99 0.00 -0.85 -4.88 121.76 117.77 2qpf s ALA 91 Ca 0.18 -1.12 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2qpf s ALA 91 Cb -0.03 -1.23 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 2qpf s ALA 91 CO 0.07 -0.73 0.48 -0.51 0.00 0.00 0.00 175.76 175.07 2qpf s ASP 92 N 1.43 6.45 -0.08 0.00 1.01 -1.26 -0.66 116.67 123.56 2qpf s ASP 92 Ca 0.00 0.63 -0.01 0.00 0.71 0.00 0.00 52.55 53.87 2qpf s ASP 92 Cb -0.15 -2.11 0.03 0.00 1.01 0.00 0.00 42.92 41.70 2qpf s ASP 92 CO -0.09 -0.10 0.01 -0.69 0.21 0.00 0.00 175.17 174.51 2qpf s VAL 93 N -1.93 0.37 -0.11 -1.27 1.01 0.25 -4.98 120.40 113.74 2qpf s VAL 93 Ca 0.42 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.53 2qpf s VAL 93 Cb -0.11 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.72 2qpf s VAL 93 CO 0.28 0.23 -0.23 -0.69 0.00 0.00 0.00 175.10 174.69 2qpf s VAL 94 N 1.97 2.12 -0.07 2.92 1.01 -1.26 -1.02 120.40 126.07 2qpf s VAL 94 Ca 0.05 -0.99 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 2qpf s VAL 94 Cb -0.12 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.49 2qpf s VAL 94 CO -0.05 0.56 0.59 0.72 0.00 0.00 0.00 175.10 176.91 2qpf s PHE 95 N 0.44 -0.56 0.11 5.22 -0.71 -0.75 -5.01 117.98 116.73 2qpf s PHE 95 Ca -0.16 1.03 -0.30 0.00 -1.04 0.00 0.00 56.93 56.46 2qpf s PHE 95 Cb -0.17 0.31 -0.06 0.00 -1.21 0.00 0.00 43.02 41.89 2qpf s PHE 95 CO 0.07 -0.51 1.03 0.99 -1.34 0.00 0.00 175.22 175.46 2qpf s THR 96 N -0.96 4.30 0.00 -4.49 2.01 -1.26 -0.77 115.64 114.47 2qpf s THR 96 Ca -0.10 1.86 0.07 0.00 0.31 0.00 0.00 61.69 63.83 2qpf s THR 96 Cb -0.02 -4.19 -0.03 0.00 0.01 0.00 0.00 72.50 68.28 2qpf s THR 96 CO 0.07 0.26 -0.22 0.00 -0.69 0.00 0.00 174.62 174.04 2qpf s ALA 97 N 0.19 2.37 -1.58 7.40 0.00 0.38 -4.77 121.76 125.76 2qpf s ALA 97 Ca 0.50 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 2qpf s ALA 97 Cb -0.26 -0.66 0.01 0.00 0.00 0.00 0.00 23.12 22.22 2qpf s ALA 97 CO 0.31 0.55 0.40 0.09 0.00 0.00 0.00 175.76 177.11 2qpf n ASN 98 N 2.08 -5.78 0.00 0.00 3.02 -1.26 -2.52 115.26 110.80 2qpf n ASN 98 Ca -0.16 -0.20 0.10 0.00 -0.03 0.00 0.00 54.58 54.29 2qpf n ASN 98 Cb 0.52 -4.72 0.47 0.00 -0.61 0.00 0.00 39.78 35.43 2qpf n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2qpf n ASP 99 N -2.33 0.00 -1.90 6.41 5.68 -1.26 -3.51 116.55 119.64 2qpf n ASP 99 Ca -0.14 0.32 -0.01 0.00 -0.50 0.00 0.00 54.79 54.46 2qpf n ASP 99 Cb 0.63 -0.43 0.02 0.00 -1.14 0.00 0.00 41.12 40.21 2qpf n ASP 99 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2qpf n SER 100 N -1.43 0.16 0.00 -1.12 3.41 -1.26 -5.12 113.62 108.26 2qpf n SER 100 Ca 0.07 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 2qpf n SER 100 Cb 0.21 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 2qpf n SER 100 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qpf n GLY 101 N -0.26 3.80 3.70 5.00 0.00 -1.23 -5.07 105.19 111.13 2qpf n GLY 101 Ca -0.07 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 2qpf n GLY 101 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qpf s HIS 102 N -2.06 2.88 0.32 1.61 3.76 -1.26 -4.41 115.29 116.14 2qpf s HIS 102 Ca 0.00 0.65 0.08 0.00 -0.15 0.00 0.00 55.06 55.64 2qpf s HIS 102 Cb 0.00 -3.83 -0.06 0.00 1.11 0.00 0.00 32.58 29.80 2qpf s HIS 102 CO 0.00 -3.11 -0.06 1.03 -0.85 0.00 0.00 174.74 171.74 2qpf s ARG 103 N 1.79 1.71 -0.11 1.40 1.81 -1.26 -4.85 118.95 119.45 2qpf s ARG 103 Ca 0.69 -1.89 -0.05 0.00 -1.72 0.00 0.00 55.73 52.76 2qpf s ARG 103 Cb -0.39 -1.43 -0.04 0.00 -0.45 0.00 0.00 34.95 32.64 2qpf s ARG 103 CO 0.30 0.07 0.07 -1.01 -0.68 0.00 0.00 175.30 174.05 2qpf s HIS 104 N -2.82 3.37 -0.05 -0.53 3.76 0.83 -4.89 115.29 114.97 2qpf s HIS 104 Ca 0.32 0.35 0.04 0.00 -0.15 0.00 0.00 55.06 55.62 2qpf s HIS 104 Cb 0.04 -1.87 -0.00 0.00 1.11 0.00 0.00 32.58 31.85 2qpf s HIS 104 CO 0.15 0.58 -0.19 0.71 -0.85 0.00 0.00 174.74 175.14 2qpf s TYR 105 N -0.89 1.88 -0.19 1.40 1.51 0.10 -0.81 117.35 120.36 2qpf s TYR 105 Ca 0.14 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.62 2qpf s TYR 105 Cb -0.12 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 2qpf s TYR 105 CO 0.03 -0.20 -0.14 0.99 -1.11 0.00 0.00 175.55 175.12 2qpf s THR 106 N 0.06 2.55 -0.33 -0.71 2.01 0.37 -1.20 115.64 118.40 2qpf s THR 106 Ca -0.06 -0.78 -0.16 0.00 0.31 0.00 0.00 61.69 61.01 2qpf s THR 106 Cb -0.13 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2qpf s THR 106 CO 0.03 0.50 0.41 -0.63 -0.69 0.00 0.00 174.62 174.23 2qpf s ILE 107 N 1.30 5.13 -0.01 1.82 -1.09 0.31 -0.78 121.20 127.87 2qpf s ILE 107 Ca 0.04 0.26 0.03 0.00 -2.23 0.00 0.00 60.65 58.75 2qpf s ILE 107 Cb -0.14 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.88 2qpf s ILE 107 CO -0.08 -0.06 -0.08 0.00 -1.23 0.00 0.00 174.94 173.49 2qpf s ALA 108 N 2.13 2.97 -0.00 9.38 0.00 -0.22 -0.92 121.76 135.09 2qpf s ALA 108 Ca 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2qpf s ALA 108 Cb -0.16 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.85 2qpf s ALA 108 CO 0.12 0.60 0.00 0.00 0.00 0.00 0.00 175.76 176.48 2qpf s ALA 109 N -0.95 0.02 -0.20 0.00 0.00 0.40 -1.42 121.76 119.61 2qpf s ALA 109 Ca 0.16 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 2qpf s ALA 109 Cb -0.11 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.98 2qpf s ALA 109 CO 0.06 -0.02 -0.15 -1.17 0.00 0.00 0.00 175.76 174.48 2qpf s LEU 110 N 0.19 2.45 -0.14 0.00 2.96 0.11 -0.59 118.68 123.67 2qpf s LEU 110 Ca -0.02 -0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 2qpf s LEU 110 Cb -0.02 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2qpf s LEU 110 CO -0.01 -0.02 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.19 2qpf s LEU 111 N 1.33 3.19 0.17 -0.68 1.43 -0.52 -1.35 118.68 122.26 2qpf s LEU 111 Ca 0.04 -0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.08 2qpf s LEU 111 Cb -0.14 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2qpf s LEU 111 CO -0.10 0.20 -0.12 -0.44 0.23 0.00 0.00 176.35 176.13 2qpf s SER 112 N 0.14 2.15 0.37 2.29 0.01 0.67 -1.02 113.70 118.31 2qpf s SER 112 Ca -0.02 -1.02 0.10 0.00 1.31 0.00 0.00 55.95 56.32 2qpf s SER 112 Cb -0.14 -0.07 0.85 0.00 0.21 0.00 0.00 66.02 66.87 2qpf s SER 112 CO 0.03 -0.26 1.88 -0.65 0.41 0.00 0.00 173.24 174.65 2qpf h PRO 113 N 2.68 0.64 -0.20 12.44 0.11 -1.99 -2.80 132.00 142.88 2qpf h PRO 113 Ca -0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2qpf h PRO 113 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2qpf h PRO 113 CO 0.63 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 2qpf n TYR 114 N -4.55 0.37 -3.57 0.65 4.02 -1.26 -0.70 117.16 112.12 2qpf n TYR 114 Ca 0.17 -0.62 -0.17 0.00 -0.01 0.00 0.00 57.90 57.27 2qpf n TYR 114 Cb 0.47 -0.10 -0.07 0.00 -0.02 0.00 0.00 39.34 39.63 2qpf n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qpf s SER 115 N -1.36 -0.58 0.04 7.72 0.15 -1.06 -4.97 113.70 113.64 2qpf s SER 115 Ca 0.21 0.66 -0.12 0.00 0.70 0.00 0.00 55.95 57.40 2qpf s SER 115 Cb 0.14 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 65.03 2qpf s SER 115 CO 0.09 -0.55 0.25 -0.72 1.20 0.00 0.00 173.24 173.51 2qpf s TYR 116 N -1.09 -0.03 0.04 3.44 -0.85 -1.26 -0.24 117.35 117.36 2qpf s TYR 116 Ca -0.11 -0.13 0.09 0.00 -0.52 0.00 0.00 57.07 56.41 2qpf s TYR 116 Cb -0.01 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.34 2qpf s TYR 116 CO 0.08 -0.46 -0.25 0.45 -1.52 0.00 0.00 175.55 173.85 2qpf s SER 117 N -2.02 3.26 0.01 -0.18 0.15 -0.45 -4.98 113.70 109.47 2qpf s SER 117 Ca -0.06 -0.57 0.01 0.00 0.70 0.00 0.00 55.95 56.04 2qpf s SER 117 Cb -0.01 -0.33 -0.01 0.00 -1.71 0.00 0.00 66.02 63.95 2qpf s SER 117 CO -0.03 0.26 -0.04 0.28 1.20 0.00 0.00 173.24 174.91 2qpf s THR 118 N -0.82 0.31 0.02 6.45 -1.32 -1.26 -0.71 115.64 118.32 2qpf s THR 118 Ca 0.12 -0.35 0.01 0.00 -1.21 0.00 0.00 61.69 60.26 2qpf s THR 118 Cb -0.10 -0.30 -0.02 0.00 -1.51 0.00 0.00 72.50 70.57 2qpf s THR 118 CO 0.02 -0.03 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.47 2qpf s THR 119 N -0.39 0.28 -0.12 5.08 2.01 -0.51 -5.00 115.64 117.00 2qpf s THR 119 Ca -0.02 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.22 2qpf s THR 119 Cb -0.03 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 2qpf s THR 119 CO -0.00 -0.32 -0.11 0.00 -0.69 0.00 0.00 174.62 173.51 2qpf s ALA 120 N -1.07 2.75 -0.27 7.40 0.00 -1.26 -1.06 121.76 128.25 2qpf s ALA 120 Ca -0.10 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 2qpf s ALA 120 Cb -0.08 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.81 2qpf s ALA 120 CO -0.00 0.33 0.02 0.08 0.00 0.00 0.00 175.76 176.19 2qpf s VAL 121 N 0.04 3.55 -0.14 0.00 1.01 0.04 -4.97 120.40 119.94 2qpf s VAL 121 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2qpf s VAL 121 Cb -0.14 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 2qpf s VAL 121 CO 0.04 0.17 -0.14 -0.69 0.00 0.00 0.00 175.10 174.48 2qpf s VAL 122 N 1.45 2.93 0.14 2.92 1.01 -1.26 -0.48 120.40 127.11 2qpf s VAL 122 Ca 0.02 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2qpf s VAL 122 Cb -0.17 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2qpf s VAL 122 CO -0.00 0.52 -0.12 -0.94 0.00 0.00 0.00 175.10 174.56 2qpf s SER 123 N 0.47 1.90 0.00 3.32 1.04 0.01 -4.97 113.70 115.47 2qpf s SER 123 Ca -0.10 -0.94 0.29 0.00 0.48 0.00 0.00 55.95 55.67 2qpf s SER 123 Cb -0.16 -0.04 1.16 0.00 0.10 0.00 0.00 66.02 67.08 2qpf s SER 123 CO 0.05 -0.26 1.81 -3.20 0.98 0.00 0.00 173.24 172.61