#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpf s LYS 9 N 0.00 3.61 0.00 4.33 1.02 -1.26 -5.14 119.74 122.31 2qpf s LYS 9 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 55.97 54.22 2qpf s LYS 9 Cb 0.00 -4.93 0.00 0.00 -0.52 0.00 0.00 37.83 32.38 2qpf s LYS 9 CO 0.00 -1.78 0.00 -0.35 -0.92 0.00 0.00 175.35 172.30 2qpf n PRO 11 N 6.57 1.32 -3.48 -1.68 -0.04 -1.26 -4.68 135.00 131.75 2qpf n PRO 11 Ca 0.25 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.51 2qpf n PRO 11 Cb 0.49 -0.11 -0.13 0.00 -0.04 0.00 0.00 33.50 33.71 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 0.00 -0.05 0.16 1.53 2.96 -1.25 -0.38 118.68 121.65 2qpf s LEU 12 Ca 0.00 -0.47 0.10 0.00 -0.22 0.00 0.00 54.13 53.54 2qpf s LEU 12 Cb 0.00 0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.96 2qpf s LEU 12 CO 0.00 -0.35 -0.19 -0.04 -1.32 0.00 0.00 176.35 174.45 2qpf s MET 13 N 2.30 1.73 -0.04 1.98 -1.94 -0.15 -4.40 119.30 118.77 2qpf s MET 13 Ca 0.07 -1.35 0.04 0.00 -1.71 0.00 0.00 55.69 52.74 2qpf s MET 13 Cb -0.15 -2.01 0.00 0.00 2.01 0.00 0.00 34.83 34.68 2qpf s MET 13 CO -0.19 0.44 -0.14 0.08 -0.01 0.00 0.00 175.02 175.19 2qpf s VAL 14 N -1.48 1.21 -0.06 -6.03 1.01 -1.02 -0.91 120.40 113.12 2qpf s VAL 14 Ca 0.20 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2qpf s VAL 14 Cb -0.09 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2qpf s VAL 14 CO 0.11 0.36 -0.03 -0.54 0.00 0.00 0.00 175.10 174.99 2qpf s LYS 15 N 0.16 0.84 -0.04 2.72 1.02 -0.48 -0.18 119.74 123.78 2qpf s LYS 15 Ca -0.05 -0.06 0.02 0.00 0.02 0.00 0.00 55.97 55.91 2qpf s LYS 15 Cb -0.11 -0.96 0.01 0.00 -0.52 0.00 0.00 37.83 36.24 2qpf s LYS 15 CO 0.02 -0.17 -0.10 0.08 -0.92 0.00 0.00 175.35 174.26 2qpf s VAL 16 N 1.32 0.90 0.18 3.17 1.01 -0.03 -0.54 120.40 126.43 2qpf s VAL 16 Ca -0.05 -0.39 0.10 0.00 0.00 0.00 0.00 61.98 61.64 2qpf s VAL 16 Cb -0.14 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2qpf s VAL 16 CO -0.02 0.29 -0.16 -0.76 0.00 0.00 0.00 175.10 174.44 2qpf s LEU 17 N 0.39 2.72 -0.30 3.92 1.43 -0.13 -1.27 118.68 125.44 2qpf s LEU 17 Ca -0.07 -0.71 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 2qpf s LEU 17 Cb -0.12 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.69 2qpf s LEU 17 CO 0.01 0.11 0.07 -0.62 0.23 0.00 0.00 176.35 176.16 2qpf s ASP 18 N -2.74 5.07 0.11 2.29 3.68 0.43 -1.30 116.67 124.22 2qpf s ASP 18 Ca 0.23 -0.79 0.26 0.00 2.13 0.00 0.00 52.55 54.38 2qpf s ASP 18 Cb -0.08 -1.86 0.98 0.00 -1.45 0.00 0.00 42.92 40.51 2qpf s ASP 18 CO 0.13 -0.20 1.80 0.00 0.13 0.00 0.00 175.17 177.02 2qpf n ALA 19 N 4.84 2.17 0.01 3.66 0.00 -0.24 -1.37 120.51 129.58 2qpf n ALA 19 Ca -0.14 -0.05 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 2qpf n ALA 19 Cb 0.47 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 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 0.89 0.00 0.00 2.07 -1.95 -3.38 116.25 113.88 2qpf h VAL 20 Ca 0.00 -2.39 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2qpf h VAL 20 Cb 0.55 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2qpf h VAL 20 CO 0.00 0.76 -0.99 0.54 0.02 0.00 0.00 177.57 177.90 2qpf n ARG 21 N -3.78 0.49 -2.99 1.57 1.74 -1.24 -4.99 116.66 107.45 2qpf n ARG 21 Ca -0.28 0.07 -0.12 0.00 -0.77 0.00 0.00 57.85 56.76 2qpf n ARG 21 Cb 0.96 -1.74 0.06 0.00 -1.02 0.00 0.00 32.46 30.72 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 1.25 -0.13 3.45 -0.13 0.00 -0.47 -5.03 105.19 104.12 2qpf n GLY 22 Ca 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.92 -0.10 0.59 1.61 1.04 -1.11 -5.02 113.70 106.79 2qpf s SER 23 Ca 0.01 -0.72 -0.19 0.00 0.48 0.00 0.00 55.95 55.53 2qpf s SER 23 Cb -0.00 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.60 2qpf s SER 23 CO 0.51 -0.99 1.27 -2.84 0.98 0.00 0.00 173.24 172.17 2qpf s PRO 24 N -3.94 2.91 -0.57 4.02 0.02 -1.26 -0.42 135.00 135.76 2qpf s PRO 24 Ca 0.14 2.00 -0.24 0.00 0.02 0.00 0.00 61.00 62.93 2qpf s PRO 24 Cb 0.01 -2.00 0.05 0.00 0.02 0.00 0.00 34.50 32.57 2qpf s PRO 24 CO 0.00 -1.30 0.93 0.00 -0.33 0.00 0.00 177.00 176.30 2qpf s ALA 25 N -1.45 3.16 0.08 -1.55 0.00 -0.40 -4.57 121.76 117.03 2qpf s ALA 25 Ca 0.77 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 2qpf s ALA 25 Cb -0.35 -3.74 -0.06 0.00 0.00 0.00 0.00 23.12 18.97 2qpf s ALA 25 CO 0.39 -2.44 0.49 0.08 0.00 0.00 0.00 175.76 174.28 2qpf s VAL 26 N 3.90 4.91 -1.54 0.00 1.01 -1.26 -4.29 120.40 123.12 2qpf s VAL 26 Ca 0.28 0.89 -0.05 0.00 0.00 0.00 0.00 61.98 63.10 2qpf s VAL 26 Cb -0.14 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.49 2qpf s VAL 26 CO 0.17 0.43 0.58 0.47 0.00 0.00 0.00 175.10 176.75 2qpf n ASP 27 N 1.35 -5.92 -4.68 3.32 8.00 -0.10 -4.94 116.55 113.58 2qpf n ASP 27 Ca -0.10 -0.29 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 2qpf n ASP 27 Cb 0.52 -4.79 -0.03 0.00 -0.02 0.00 0.00 41.12 36.80 2qpf n ASP 27 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qpf s VAL 28 N -3.15 4.18 0.01 2.53 1.01 -1.26 -4.76 120.40 118.96 2qpf s VAL 28 Ca 0.30 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 2qpf s VAL 28 Cb -0.14 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2qpf s VAL 28 CO 0.38 -0.04 1.18 0.00 0.00 0.00 0.00 175.10 176.62 2qpf s ALA 29 N 2.59 3.40 -0.09 5.51 0.00 -1.26 -1.69 121.76 130.23 2qpf s ALA 29 Ca 0.57 0.73 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2qpf s ALA 29 Cb -0.25 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 2qpf s ALA 29 CO 0.21 -0.53 -0.23 0.08 0.00 0.00 0.00 175.76 175.28 2qpf s VAL 30 N 1.49 1.98 -0.07 0.00 1.01 0.79 -0.68 120.40 124.91 2qpf s VAL 30 Ca 0.57 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.60 2qpf s VAL 30 Cb -0.27 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.41 2qpf s VAL 30 CO 0.26 0.54 -0.17 -0.54 0.00 0.00 0.00 175.10 175.20 2qpf s LYS 31 N 0.31 2.13 -0.08 2.72 1.02 -0.47 -1.37 119.74 124.00 2qpf s LYS 31 Ca -0.17 -0.59 0.03 0.00 0.02 0.00 0.00 55.97 55.26 2qpf s LYS 31 Cb -0.17 -1.70 -0.02 0.00 -0.52 0.00 0.00 37.83 35.41 2qpf s LYS 31 CO 0.08 0.11 -0.15 0.08 -0.92 0.00 0.00 175.35 174.55 2qpf s VAL 32 N 0.46 2.96 0.14 3.17 1.01 0.67 -0.64 120.40 128.17 2qpf s VAL 32 Ca -0.14 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.19 2qpf s VAL 32 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 2qpf s VAL 32 CO 0.05 0.57 -0.19 -0.36 0.00 0.00 0.00 175.10 175.17 2qpf s PHE 33 N -0.32 1.79 -0.03 5.22 0.40 0.30 -0.63 117.98 124.72 2qpf s PHE 33 Ca 0.03 -0.45 0.07 0.00 -0.60 0.00 0.00 56.93 55.97 2qpf s PHE 33 Cb -0.13 -0.93 -0.02 0.00 0.51 0.00 0.00 43.02 42.46 2qpf s PHE 33 CO 0.02 0.28 -0.24 0.21 0.70 0.00 0.00 175.22 176.19 2qpf s LYS 34 N -2.46 2.11 0.34 0.44 2.20 -0.44 -0.58 119.74 121.34 2qpf s LYS 34 Ca 0.12 -0.87 -0.26 0.00 -0.36 0.00 0.00 55.97 54.60 2qpf s LYS 34 Cb -0.07 -1.96 -0.10 0.00 -1.51 0.00 0.00 37.83 34.19 2qpf s LYS 34 CO 0.06 0.48 0.97 0.21 -0.36 0.00 0.00 175.35 176.70 2qpf s LYS 35 N -0.45 4.51 0.47 4.03 2.20 0.11 -2.14 119.74 128.47 2qpf s LYS 35 Ca 0.06 1.36 0.08 0.00 -0.36 0.00 0.00 55.97 57.11 2qpf s LYS 35 Cb -0.11 -2.74 0.02 0.00 -1.51 0.00 0.00 37.83 33.49 2qpf s LYS 35 CO 0.00 0.20 0.49 0.95 -0.36 0.00 0.00 175.35 176.63 2qpf s THR 36 N -1.63 2.40 0.24 3.43 -4.23 -0.89 -4.60 115.64 110.35 2qpf s THR 36 Ca 0.52 -1.26 -0.05 0.00 -1.18 0.00 0.00 61.69 59.71 2qpf s THR 36 Cb -0.19 -2.67 0.20 0.00 1.34 0.00 0.00 72.50 71.19 2qpf s THR 36 CO 0.24 0.00 1.81 0.28 -0.54 0.00 0.00 174.62 176.41 2qpf h SER 37 N 0.76 0.65 1.03 3.99 0.02 -1.97 -1.72 113.55 116.30 2qpf h SER 37 Ca -0.38 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2qpf h SER 37 Cb 1.28 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2qpf h SER 37 CO 0.52 0.38 0.00 -0.33 -1.14 0.00 0.00 176.83 176.26 2qpf h GLU 38 N 0.77 0.00 -0.01 3.45 4.39 -2.03 -3.46 114.58 117.68 2qpf h GLU 38 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 2qpf h GLU 38 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2qpf h GLU 38 CO -0.24 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.02 2qpf n GLY 39 N 0.16 1.74 3.71 -3.84 0.00 -0.65 -5.11 105.19 101.20 2qpf n GLY 39 Ca 0.01 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2qpf n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qpf s SER 40 N -2.12 4.94 -0.45 1.61 1.04 -1.26 -4.86 113.70 112.60 2qpf s SER 40 Ca 0.00 -0.42 -0.20 0.00 0.48 0.00 0.00 55.95 55.81 2qpf s SER 40 Cb 0.00 -1.09 0.03 0.00 0.10 0.00 0.00 66.02 65.06 2qpf s SER 40 CO 0.00 0.03 0.60 0.26 0.98 0.00 0.00 173.24 175.11 2qpf s TRP 41 N -2.03 3.07 -0.04 5.02 0.52 -1.26 -2.09 118.94 122.13 2qpf s TRP 41 Ca 0.30 -0.24 -0.08 0.00 0.02 0.00 0.00 56.10 56.10 2qpf s TRP 41 Cb -0.08 -3.32 -0.05 0.00 -1.15 0.00 0.00 33.47 28.87 2qpf s TRP 41 CO 0.21 -0.89 0.26 -1.83 0.02 0.00 0.00 176.95 174.72 2qpf s GLU 42 N 2.66 3.61 0.39 4.98 -1.05 -0.91 -4.92 118.70 123.45 2qpf s GLU 42 Ca 0.19 0.01 -0.28 0.00 -0.15 0.00 0.00 54.97 54.74 2qpf s GLU 42 Cb -0.16 -3.14 -0.11 0.00 -0.44 0.00 0.00 34.13 30.28 2qpf s GLU 42 CO 0.16 0.70 1.47 -2.14 0.95 0.00 0.00 175.26 176.40 2qpf s PRO 43 N -1.37 4.06 -0.01 -4.83 0.02 -1.26 -1.33 135.00 130.27 2qpf s PRO 43 Ca 0.23 2.54 -0.01 0.00 0.02 0.00 0.00 61.00 63.78 2qpf s PRO 43 Cb -0.14 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.45 2qpf s PRO 43 CO 0.11 -0.56 -0.02 0.34 -0.33 0.00 0.00 177.00 176.55 2qpf n PHE 44 N 0.38 0.00 -3.61 6.54 7.35 0.20 -4.76 117.46 123.56 2qpf n PHE 44 Ca 0.01 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.61 2qpf n PHE 44 Cb 0.40 -0.05 -0.02 0.00 0.35 0.00 0.00 39.48 40.16 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 -2.02 -1.39 0.07 3.13 0.00 -1.02 -5.01 121.76 115.51 2qpf s ALA 45 Ca -0.02 0.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 2qpf s ALA 45 Cb 0.01 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.06 2qpf s ALA 45 CO 0.02 -0.87 0.57 -1.54 0.00 0.00 0.00 175.76 173.94 2qpf s SER 46 N -2.82 -0.51 0.01 0.00 1.04 -1.26 -0.24 113.70 109.92 2qpf s SER 46 Ca 0.05 0.20 -0.13 0.00 0.48 0.00 0.00 55.95 56.56 2qpf s SER 46 Cb -0.03 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.66 2qpf s SER 46 CO -0.05 -0.78 0.58 0.61 0.98 0.00 0.00 173.24 174.59 2qpf n GLY 47 N 0.24 0.53 3.12 7.32 0.00 -0.47 -4.97 105.19 110.96 2qpf n GLY 47 Ca -0.18 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.01 0.84 0.37 1.61 1.02 -1.26 -0.15 119.74 120.16 2qpf s LYS 48 Ca 0.14 -0.72 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 2qpf s LYS 48 Cb -0.01 -0.81 -0.09 0.00 -0.52 0.00 0.00 37.83 36.40 2qpf s LYS 48 CO 0.00 0.20 1.30 0.95 -0.92 0.00 0.00 175.35 176.88 2qpf s THR 49 N -0.88 2.68 0.04 2.17 -4.23 -0.68 -4.76 115.64 109.99 2qpf s THR 49 Ca -0.00 0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 61.15 2qpf s THR 49 Cb -0.08 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.38 2qpf s THR 49 CO 0.01 0.12 0.06 0.00 -0.54 0.00 0.00 174.62 174.27 2qpf n ALA 50 N 0.42 -0.07 0.27 3.99 0.00 -0.41 -0.92 120.51 123.79 2qpf n ALA 50 Ca 0.02 -0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.52 2qpf n ALA 50 Cb 0.43 -0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.63 2qpf n ALA 50 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qpf h GLU 51 N 0.00 0.00 0.00 0.00 5.08 -1.94 -0.94 114.58 116.78 2qpf h GLU 51 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2qpf h GLU 51 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2qpf h GLU 51 CO 0.01 0.10 0.00 -1.13 -1.00 0.00 0.00 179.01 176.99 2qpf n SER 52 N -3.60 0.53 0.00 1.42 3.41 -1.26 -4.74 113.62 109.38 2qpf n SER 52 Ca -0.02 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2qpf n SER 52 Cb 0.22 -0.73 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 0.38 0.83 3.73 5.00 0.00 -0.36 -4.75 105.19 110.02 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 2.79 -0.19 1.61 2.02 -1.26 -0.85 118.70 122.68 2qpf s GLU 54 Ca 0.00 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.32 2qpf s GLU 54 Cb 0.00 -2.68 0.04 0.00 0.10 0.00 0.00 34.13 31.59 2qpf s GLU 54 CO 0.00 0.58 -0.12 -1.17 0.02 0.00 0.00 175.26 174.57 2qpf s LEU 55 N -2.08 2.25 0.32 1.80 2.96 0.75 -1.29 118.68 123.39 2qpf s LEU 55 Ca 0.25 -0.82 0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2qpf s LEU 55 Cb -0.12 -1.28 -0.05 0.00 0.50 0.00 0.00 46.19 45.24 2qpf s LEU 55 CO 0.17 -0.11 0.03 -1.00 -1.32 0.00 0.00 176.35 174.12 2qpf s HIS 56 N 1.37 2.60 -0.48 5.38 3.76 -1.26 -2.44 115.29 124.23 2qpf s HIS 56 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2qpf s HIS 56 Cb -0.15 -1.45 0.00 0.00 1.11 0.00 0.00 32.58 32.08 2qpf s HIS 56 CO -0.09 0.48 0.00 0.41 -0.85 0.00 0.00 174.74 174.69 2qpf n GLY 57 N -0.98 0.48 0.28 -2.22 0.00 -1.26 -4.94 105.19 96.54 2qpf n GLY 57 Ca -0.04 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.71 0.00 0.99 3.38 -1.87 -3.48 115.31 115.04 2qpf h LEU 58 Ca -0.11 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 2qpf h LEU 58 Cb 0.69 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2qpf h LEU 58 CO 0.14 0.79 0.08 1.07 0.09 0.00 0.00 178.44 180.62 2qpf n THR 59 N -4.22 0.00 -4.32 0.22 5.66 -1.26 -4.76 114.28 105.60 2qpf n THR 59 Ca 0.02 -0.37 -0.17 0.00 -3.05 0.00 0.00 64.05 60.48 2qpf n THR 59 Cb 0.30 0.35 -0.10 0.00 -1.55 0.00 0.00 70.33 69.33 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 -2.68 0.99 0.30 1.09 -4.23 -1.26 -4.59 115.64 105.26 2qpf s THR 60 Ca 0.06 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2qpf s THR 60 Cb -0.02 -2.32 0.26 0.00 1.34 0.00 0.00 72.50 71.76 2qpf s THR 60 CO 0.04 -0.33 1.96 0.44 -0.54 0.00 0.00 174.62 176.19 2qpf h ASP 61 N 2.49 0.93 -0.21 3.99 3.32 -1.90 0.24 116.42 125.28 2qpf h ASP 61 Ca -0.38 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 56.52 2qpf h ASP 61 Cb 1.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2qpf h ASP 61 CO 0.64 0.66 -0.34 -0.33 -1.72 0.00 0.00 179.24 178.15 2qpf h GLU 62 N 1.09 0.73 0.03 3.56 3.07 -1.99 -3.18 114.58 117.89 2qpf h GLU 62 Ca 0.31 -0.35 -0.25 0.00 -0.50 0.00 0.00 59.36 58.58 2qpf h GLU 62 Cb -0.08 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.80 2qpf h GLU 62 CO -0.08 0.96 -1.24 0.87 -1.40 0.00 0.00 179.01 178.12 2qpf h LYS 63 N 0.61 0.06 -4.62 2.33 1.57 -1.88 -3.40 116.57 111.24 2qpf h LYS 63 Ca 0.06 -0.11 -0.69 0.00 -1.87 0.00 0.00 60.65 58.04 2qpf h LYS 63 Cb 0.87 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 2qpf h LYS 63 CO 0.08 0.94 2.79 0.34 -0.57 0.00 0.00 179.45 183.02 2qpf n PHE 64 N -3.32 3.83 -2.13 -1.35 7.35 0.80 -4.95 117.46 117.69 2qpf n PHE 64 Ca -0.07 -2.88 -0.27 0.00 -0.76 0.00 0.00 57.45 53.48 2qpf n PHE 64 Cb 0.99 -2.56 0.08 0.00 0.35 0.00 0.00 39.48 38.34 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 3.69 2.19 0.25 -2.13 -7.23 -1.26 -4.89 120.40 111.02 2qpf s VAL 65 Ca 0.50 -0.20 -0.31 0.00 -1.81 0.00 0.00 61.98 60.16 2qpf s VAL 65 Cb 0.11 -2.99 -0.13 0.00 0.56 0.00 0.00 36.38 33.93 2qpf s VAL 65 CO -0.03 0.00 1.49 1.21 -0.31 0.00 0.00 175.10 177.46 2qpf n GLU 66 N -3.05 2.28 0.00 4.82 2.13 -1.26 -4.81 120.64 120.75 2qpf n GLU 66 Ca 0.09 0.81 0.00 0.00 0.66 0.00 0.00 57.16 58.72 2qpf n GLU 66 Cb 0.61 -2.52 0.00 0.00 0.27 0.00 0.00 31.44 29.79 2qpf n GLU 66 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qpf n GLY 67 N 2.24 -0.49 3.65 8.31 0.00 -1.01 -5.02 105.19 112.87 2qpf n GLY 67 Ca 0.11 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.00 5.28 0.19 1.61 1.01 -1.26 -0.82 120.40 124.41 2qpf s VAL 68 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 61.98 62.46 2qpf s VAL 68 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2qpf s VAL 68 CO 0.00 0.28 -0.09 -0.31 0.00 0.00 0.00 175.10 174.98 2qpf s TYR 69 N 1.34 2.63 -0.12 5.22 1.51 0.02 0.08 117.35 128.03 2qpf s TYR 69 Ca 0.12 -0.22 -0.01 0.00 -1.01 0.00 0.00 57.07 55.95 2qpf s TYR 69 Cb -0.14 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.46 2qpf s TYR 69 CO 0.07 0.52 -0.05 0.50 -1.11 0.00 0.00 175.55 175.49 2qpf s ARG 70 N -2.90 1.26 -0.27 -0.62 3.52 0.25 -1.93 118.95 118.25 2qpf s ARG 70 Ca 0.25 -0.23 -0.07 0.00 -0.13 0.00 0.00 55.73 55.56 2qpf s ARG 70 Cb -0.09 -1.56 -0.01 0.00 -1.56 0.00 0.00 34.95 31.74 2qpf s ARG 70 CO 0.16 -0.33 0.06 0.08 -0.81 0.00 0.00 175.30 174.46 2qpf s VAL 71 N 1.76 4.06 -0.19 7.11 1.01 -0.18 -0.54 120.40 133.43 2qpf s VAL 71 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2qpf s VAL 71 Cb -0.13 -2.99 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 2qpf s VAL 71 CO -0.07 0.22 -0.10 -0.70 0.00 0.00 0.00 175.10 174.45 2qpf s GLU 72 N 1.55 3.29 -0.22 2.72 2.12 0.18 -0.83 118.70 127.51 2qpf s GLU 72 Ca 0.05 -0.69 -0.12 0.00 0.36 0.00 0.00 54.97 54.57 2qpf s GLU 72 Cb -0.16 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.37 2qpf s GLU 72 CO 0.02 -0.09 0.24 -0.51 -0.54 0.00 0.00 175.26 174.38 2qpf s LEU 73 N 1.14 4.14 -1.36 2.70 1.43 0.09 -1.37 118.68 125.46 2qpf s LEU 73 Ca 0.01 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.21 2qpf s LEU 73 Cb -0.14 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.89 2qpf s LEU 73 CO -0.03 0.03 1.91 -0.67 0.23 0.00 0.00 176.35 177.82 2qpf n ASP 74 N 4.29 4.56 0.16 2.29 2.03 0.15 -1.95 116.55 128.07 2qpf n ASP 74 Ca -0.13 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.29 2qpf n ASP 74 Cb 0.52 -1.71 0.25 0.00 -0.72 0.00 0.00 41.12 39.45 2qpf n ASP 74 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2qpf h THR 75 N 4.97 1.35 -0.09 5.18 1.35 -1.87 -3.00 112.91 120.80 2qpf h THR 75 Ca 0.49 -1.79 -0.01 0.00 -0.55 0.00 0.00 66.41 64.55 2qpf h THR 75 Cb 0.79 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 69.17 2qpf h THR 75 CO 1.61 0.51 0.03 0.50 -0.25 0.00 0.00 175.52 177.93 2qpf h LYS 76 N 0.00 0.14 -0.88 4.72 3.64 -1.75 -1.74 116.57 120.70 2qpf h LYS 76 Ca -0.01 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2qpf h LYS 76 Cb 0.93 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.69 2qpf h LYS 76 CO 0.07 0.27 0.49 0.77 -2.27 0.00 0.00 179.45 178.77 2qpf h SER 77 N -0.02 1.10 0.18 4.20 0.02 -1.88 -1.62 113.55 115.53 2qpf h SER 77 Ca 0.03 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2qpf h SER 77 Cb 0.18 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2qpf h SER 77 CO -0.00 0.88 -0.30 0.22 -1.14 0.00 0.00 176.83 176.49 2qpf h TYR 78 N 1.23 -0.80 -0.69 3.45 3.20 -1.34 -1.58 116.97 120.44 2qpf h TYR 78 Ca 0.31 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 2qpf h TYR 78 Cb 0.02 0.33 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 2qpf h TYR 78 CO 0.01 -0.41 0.21 -1.49 -1.64 0.00 0.00 178.16 174.83 2qpf h TRP 79 N -0.55 1.12 -0.89 -3.82 4.06 -1.25 -2.95 115.95 111.66 2qpf h TRP 79 Ca 0.02 -0.12 0.00 0.00 2.06 0.00 0.00 58.89 60.85 2qpf h TRP 79 Cb 0.55 -0.32 -0.04 0.00 -1.00 0.00 0.00 29.16 28.35 2qpf h TRP 79 CO -0.24 0.90 0.57 0.87 -3.56 0.00 0.00 178.44 176.98 2qpf h LYS 80 N 1.01 1.19 -0.07 0.49 1.57 -1.11 -1.18 116.57 118.48 2qpf h LYS 80 Ca 0.22 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2qpf h LYS 80 Cb 0.31 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2qpf h LYS 80 CO -0.01 0.81 0.01 1.15 -0.57 0.00 0.00 179.45 180.85 2qpf h THR 81 N 1.22 1.04 -0.30 -0.16 2.02 -1.12 -1.10 112.91 114.51 2qpf h THR 81 Ca 0.32 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.37 2qpf h THR 81 Cb -0.10 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 2qpf h THR 81 CO -0.07 0.05 0.00 0.18 0.37 0.00 0.00 175.52 176.05 2qpf n LEU 82 N -4.49 1.86 -0.38 2.58 4.77 -0.64 -4.91 117.00 115.78 2qpf n LEU 82 Ca -0.02 -0.93 -0.05 0.00 -0.03 0.00 0.00 56.01 54.98 2qpf n LEU 82 Cb 0.11 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2qpf n LEU 82 CO 0.35 0.41 -0.05 0.61 -1.33 0.00 0.00 177.39 177.38 2qpf n GLY 83 N 0.89 0.76 3.42 -0.72 0.00 -0.42 -5.04 105.19 104.08 2qpf n GLY 83 Ca 0.11 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.16 2.95 -0.55 -0.61 1.01 -0.54 -5.00 121.20 116.30 2qpf s ILE 84 Ca 0.00 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 2qpf s ILE 84 Cb 0.00 -2.17 0.06 0.00 0.01 0.00 0.00 42.46 40.35 2qpf s ILE 84 CO 0.00 0.57 0.77 -0.44 0.00 0.00 0.00 174.94 175.84 2qpf s SER 85 N -0.31 6.25 0.58 3.58 0.01 -1.26 -2.82 113.70 119.73 2qpf s SER 85 Ca 0.02 -0.79 -0.03 0.00 1.31 0.00 0.00 55.95 56.46 2qpf s SER 85 Cb -0.13 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 63.78 2qpf s SER 85 CO 0.03 -1.08 0.85 -2.16 0.41 0.00 0.00 173.24 171.28 2qpf s PRO 86 N 3.22 2.65 -0.11 12.44 0.04 -1.26 -4.99 135.00 147.00 2qpf s PRO 86 Ca 0.20 -0.38 -0.27 0.00 0.04 0.00 0.00 61.00 60.60 2qpf s PRO 86 Cb -0.17 -2.36 -0.28 0.00 0.04 0.00 0.00 34.50 31.73 2qpf s PRO 86 CO 0.13 -0.76 0.82 0.35 0.04 0.00 0.00 177.00 177.58 2qpf h PHE 87 N -0.11 0.18 -3.68 0.56 3.57 -1.51 -3.48 116.94 112.47 2qpf h PHE 87 Ca -0.44 -0.13 -0.50 0.00 3.53 0.00 0.00 57.97 60.43 2qpf h PHE 87 Cb 1.28 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 2qpf h PHE 87 CO 0.40 1.10 0.07 -1.01 -2.23 0.00 0.00 178.31 176.64 2qpf s HIS 88 N -2.31 3.39 0.27 0.41 3.76 -1.26 -4.97 115.29 114.58 2qpf s HIS 88 Ca -0.17 1.15 0.07 0.00 -0.15 0.00 0.00 55.06 55.96 2qpf s HIS 88 Cb -0.02 -2.49 0.34 0.00 1.11 0.00 0.00 32.58 31.53 2qpf s HIS 88 CO 0.74 0.09 1.61 0.93 -0.85 0.00 0.00 174.74 177.27 2qpf h GLU 89 N 2.18 0.14 -2.05 1.40 4.39 -1.99 -3.38 114.58 115.28 2qpf h GLU 89 Ca -0.48 -0.09 0.34 0.00 0.34 0.00 0.00 59.36 59.47 2qpf h GLU 89 Cb 1.18 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 2qpf h GLU 89 CO 0.66 0.67 0.88 -0.59 -1.16 0.00 0.00 179.01 179.47 2qpf s PHE 90 N -3.79 0.02 -0.15 4.33 -0.12 -1.26 -4.14 117.98 112.87 2qpf s PHE 90 Ca -0.03 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.71 2qpf s PHE 90 Cb 0.13 0.56 0.03 0.00 -0.63 0.00 0.00 43.02 43.11 2qpf s PHE 90 CO 0.78 -0.29 -0.11 0.00 -0.05 0.00 0.00 175.22 175.54 2qpf s ALA 91 N -2.08 1.69 0.19 1.99 0.00 -0.82 -4.89 121.76 117.84 2qpf s ALA 91 Ca 0.27 -0.84 0.11 0.00 0.00 0.00 0.00 51.96 51.50 2qpf s ALA 91 Cb 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2qpf s ALA 91 CO -0.01 -0.49 -0.23 0.16 0.00 0.00 0.00 175.76 175.19 2qpf s ASP 92 N 1.55 3.31 -0.10 0.00 1.47 -1.26 -0.73 116.67 120.91 2qpf s ASP 92 Ca 0.04 -0.86 0.00 0.00 1.18 0.00 0.00 52.55 52.90 2qpf s ASP 92 Cb -0.13 -0.24 0.02 0.00 -0.34 0.00 0.00 42.92 42.23 2qpf s ASP 92 CO -0.09 0.10 -0.08 -0.69 0.68 0.00 0.00 175.17 175.08 2qpf s VAL 93 N -1.72 1.00 -0.10 2.11 1.01 -0.01 -4.98 120.40 117.71 2qpf s VAL 93 Ca 0.20 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.91 2qpf s VAL 93 Cb -0.08 -1.01 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 2qpf s VAL 93 CO 0.09 0.36 -0.23 -0.69 0.00 0.00 0.00 175.10 174.63 2qpf s VAL 94 N 1.50 2.19 0.07 2.92 1.01 -1.26 -1.01 120.40 125.81 2qpf s VAL 94 Ca 0.01 -0.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.75 2qpf s VAL 94 Cb -0.13 -1.84 0.07 0.00 0.00 0.00 0.00 36.38 34.47 2qpf s VAL 94 CO -0.06 0.56 0.62 0.72 0.00 0.00 0.00 175.10 176.94 2qpf s PHE 95 N 0.29 -0.56 -0.03 5.22 -0.71 -0.81 -5.01 117.98 116.37 2qpf s PHE 95 Ca -0.17 0.64 -0.21 0.00 -1.04 0.00 0.00 56.93 56.16 2qpf s PHE 95 Cb -0.17 0.47 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 2qpf s PHE 95 CO 0.08 -0.73 0.61 0.99 -1.34 0.00 0.00 175.22 174.83 2qpf s THR 96 N -2.61 4.96 0.02 -4.49 2.01 -1.26 -0.80 115.64 113.46 2qpf s THR 96 Ca -0.04 1.28 0.08 0.00 0.31 0.00 0.00 61.69 63.31 2qpf s THR 96 Cb -0.01 -3.95 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 2qpf s THR 96 CO -0.03 0.37 -0.24 0.00 -0.69 0.00 0.00 174.62 174.03 2qpf s ALA 97 N 0.10 2.31 -1.89 7.40 0.00 0.00 -4.78 121.76 124.91 2qpf s ALA 97 Ca 0.32 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2qpf s ALA 97 Cb -0.18 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2qpf s ALA 97 CO 0.17 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.56 2qpf n ASN 98 N 1.98 -5.82 0.28 0.00 3.02 -1.26 -2.41 115.26 111.05 2qpf n ASN 98 Ca -0.17 0.11 -0.15 0.00 -0.03 0.00 0.00 54.58 54.35 2qpf n ASN 98 Cb 0.52 -4.91 -0.08 0.00 -0.61 0.00 0.00 39.78 34.70 2qpf n ASN 98 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2qpf h ASP 99 N 0.00 -0.61 -3.38 6.41 3.32 -1.91 -3.39 116.42 116.85 2qpf h ASP 99 Ca -0.48 -0.05 -0.70 0.00 0.02 0.00 0.00 57.03 55.82 2qpf h ASP 99 Cb 1.37 0.16 -0.36 0.00 0.22 0.00 0.00 39.33 40.72 2qpf h ASP 99 CO 0.60 -0.28 -0.14 -0.94 -1.72 0.00 0.00 179.24 176.75 2qpf s SER 100 N -4.69 5.88 0.00 6.45 1.04 -1.26 -4.97 113.70 116.15 2qpf s SER 100 Ca -0.15 -3.67 0.00 0.00 0.48 0.00 0.00 55.95 52.61 2qpf s SER 100 Cb 0.02 -1.89 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2qpf s SER 100 CO 0.52 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.16 2qpf n GLY 101 N 2.39 -1.93 3.69 7.32 0.00 -1.26 -4.93 105.19 110.47 2qpf n GLY 101 Ca 0.20 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 2qpf n GLY 101 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2qpf s HIS 102 N -3.43 3.51 0.27 1.61 2.46 -1.26 -4.31 115.29 114.14 2qpf s HIS 102 Ca 0.00 1.38 0.04 0.00 0.47 0.00 0.00 55.06 56.95 2qpf s HIS 102 Cb 0.00 -3.01 -0.06 0.00 -0.13 0.00 0.00 32.58 29.38 2qpf s HIS 102 CO 0.00 -0.12 0.02 1.03 -2.47 0.00 0.00 174.74 173.20 2qpf s ARG 103 N 1.63 1.48 -0.13 2.88 1.81 -1.26 -4.88 118.95 120.48 2qpf s ARG 103 Ca 0.42 -1.79 -0.05 0.00 -1.72 0.00 0.00 55.73 52.59 2qpf s ARG 103 Cb -0.18 -0.73 -0.04 0.00 -0.45 0.00 0.00 34.95 33.55 2qpf s ARG 103 CO 0.17 -0.14 0.06 -1.01 -0.68 0.00 0.00 175.30 173.70 2qpf s HIS 104 N -3.37 3.31 -0.05 -0.53 3.76 -0.35 -4.91 115.29 113.15 2qpf s HIS 104 Ca 0.33 0.24 0.06 0.00 -0.15 0.00 0.00 55.06 55.53 2qpf s HIS 104 Cb 0.07 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.82 2qpf s HIS 104 CO 0.12 0.43 -0.22 0.71 -0.85 0.00 0.00 174.74 174.93 2qpf s TYR 105 N -0.51 2.19 -0.14 1.40 1.51 0.48 -1.46 117.35 120.83 2qpf s TYR 105 Ca 0.10 -0.63 0.02 0.00 -1.01 0.00 0.00 57.07 55.55 2qpf s TYR 105 Cb -0.12 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2qpf s TYR 105 CO 0.02 -0.19 -0.22 0.99 -1.11 0.00 0.00 175.55 175.04 2qpf s THR 106 N -0.12 2.07 -0.40 -0.71 2.01 0.13 -0.98 115.64 117.64 2qpf s THR 106 Ca -0.03 -0.98 -0.14 0.00 0.31 0.00 0.00 61.69 60.86 2qpf s THR 106 Cb -0.13 -1.83 0.03 0.00 0.01 0.00 0.00 72.50 70.58 2qpf s THR 106 CO 0.03 0.55 0.27 -0.63 -0.69 0.00 0.00 174.62 174.15 2qpf s ILE 107 N 0.81 5.03 -0.11 1.82 -1.09 -0.09 -0.72 121.20 126.86 2qpf s ILE 107 Ca -0.07 -0.75 -0.05 0.00 -2.23 0.00 0.00 60.65 57.54 2qpf s ILE 107 Cb -0.16 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 2qpf s ILE 107 CO -0.02 -0.30 0.10 0.00 -1.23 0.00 0.00 174.94 173.49 2qpf s ALA 108 N 1.63 3.69 0.02 9.38 0.00 0.08 -1.39 121.76 135.19 2qpf s ALA 108 Ca 0.04 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.32 2qpf s ALA 108 Cb -0.19 -1.81 -0.02 0.00 0.00 0.00 0.00 23.12 21.10 2qpf s ALA 108 CO 0.09 0.61 -0.06 0.00 0.00 0.00 0.00 175.76 176.40 2qpf s ALA 109 N -0.98 0.40 -0.15 0.00 0.00 0.30 -1.03 121.76 120.30 2qpf s ALA 109 Ca 0.14 -0.55 0.01 0.00 0.00 0.00 0.00 51.96 51.57 2qpf s ALA 109 Cb -0.12 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2qpf s ALA 109 CO 0.03 -0.02 -0.17 -1.17 0.00 0.00 0.00 175.76 174.44 2qpf s LEU 110 N -1.10 1.85 -0.12 0.00 2.96 -0.33 -0.96 118.68 120.99 2qpf s LEU 110 Ca -0.08 -0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 2qpf s LEU 110 Cb -0.07 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 2qpf s LEU 110 CO -0.00 -0.02 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.19 2qpf s LEU 111 N 1.29 3.14 0.17 -0.68 1.43 -0.42 -1.60 118.68 122.01 2qpf s LEU 111 Ca 0.02 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2qpf s LEU 111 Cb -0.13 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2qpf s LEU 111 CO -0.09 0.24 -0.10 -0.44 0.23 0.00 0.00 176.35 176.19 2qpf s SER 112 N -0.10 1.99 0.30 2.29 0.01 0.49 -1.08 113.70 117.61 2qpf s SER 112 Ca 0.01 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.29 2qpf s SER 112 Cb -0.13 -0.04 0.74 0.00 0.21 0.00 0.00 66.02 66.80 2qpf s SER 112 CO 0.03 -0.31 1.76 -0.65 0.41 0.00 0.00 173.24 174.47 2qpf h PRO 113 N 2.69 0.67 -0.21 12.44 0.11 -1.99 -2.87 132.00 142.85 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 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qpf h PRO 113 CO 0.63 0.45 0.00 0.66 -0.21 0.00 0.00 178.00 179.53 2qpf n TYR 114 N -4.82 0.44 -3.63 0.65 4.02 -1.26 -1.20 117.16 111.36 2qpf n TYR 114 Ca 0.23 -0.67 -0.15 0.00 -0.01 0.00 0.00 57.90 57.30 2qpf n TYR 114 Cb 0.59 -0.13 -0.07 0.00 -0.02 0.00 0.00 39.34 39.71 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 -1.49 -0.55 0.04 7.72 0.15 -1.08 -4.97 113.70 113.51 2qpf s SER 115 Ca 0.25 0.80 -0.09 0.00 0.70 0.00 0.00 55.95 57.60 2qpf s SER 115 Cb 0.18 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 2qpf s SER 115 CO 0.09 -0.41 0.18 -0.72 1.20 0.00 0.00 173.24 173.58 2qpf s TYR 116 N -0.58 0.08 0.08 3.44 -0.85 -1.26 -0.38 117.35 117.89 2qpf s TYR 116 Ca -0.07 -0.33 0.09 0.00 -0.52 0.00 0.00 57.07 56.24 2qpf s TYR 116 Cb -0.03 -0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.23 2qpf s TYR 116 CO 0.05 -0.43 -0.24 -1.54 -1.52 0.00 0.00 175.55 171.87 2qpf s SER 117 N -2.14 2.92 -0.00 -0.18 1.04 -0.63 -4.98 113.70 109.72 2qpf s SER 117 Ca -0.04 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.75 2qpf s SER 117 Cb -0.01 -0.22 -0.00 0.00 0.10 0.00 0.00 66.02 65.89 2qpf s SER 117 CO -0.04 0.17 -0.03 0.28 0.98 0.00 0.00 173.24 174.60 2qpf s THR 118 N -0.96 0.21 0.04 2.02 -1.32 -1.26 -1.18 115.64 113.20 2qpf s THR 118 Ca 0.10 -0.12 0.04 0.00 -1.21 0.00 0.00 61.69 60.49 2qpf s THR 118 Cb -0.10 -0.19 -0.02 0.00 -1.51 0.00 0.00 72.50 70.68 2qpf s THR 118 CO 0.04 0.05 -0.11 -0.89 -2.21 0.00 0.00 174.62 171.50 2qpf s THR 119 N -0.08 0.82 -0.15 5.08 2.01 -0.20 -5.00 115.64 118.12 2qpf s THR 119 Ca 0.01 -1.03 -0.04 0.00 0.31 0.00 0.00 61.69 60.94 2qpf s THR 119 Cb -0.01 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 2qpf s THR 119 CO -0.00 -0.19 -0.04 0.00 -0.69 0.00 0.00 174.62 173.70 2qpf s ALA 120 N -1.09 3.00 -0.23 7.40 0.00 -1.26 -0.74 121.76 128.85 2qpf s ALA 120 Ca -0.04 -0.82 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2qpf s ALA 120 Cb -0.09 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.49 2qpf s ALA 120 CO 0.01 0.23 -0.04 0.08 0.00 0.00 0.00 175.76 176.04 2qpf s VAL 121 N 0.30 3.33 -0.10 0.00 1.01 0.10 -4.97 120.40 120.07 2qpf s VAL 121 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2qpf s VAL 121 Cb -0.14 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.68 2qpf s VAL 121 CO 0.03 0.38 -0.17 -0.69 0.00 0.00 0.00 175.10 174.65 2qpf s VAL 122 N 1.46 2.73 -0.05 2.92 1.01 -1.26 -0.69 120.40 126.52 2qpf s VAL 122 Ca 0.05 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 2qpf s VAL 122 Cb -0.15 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.16 2qpf s VAL 122 CO -0.03 0.55 0.11 -0.94 0.00 0.00 0.00 175.10 174.79 2qpf s SER 123 N 0.02 -0.09 0.00 3.32 1.04 -0.53 -5.00 113.70 112.46 2qpf s SER 123 Ca -0.06 0.22 0.29 0.00 0.48 0.00 0.00 55.95 56.88 2qpf s SER 123 Cb -0.15 0.17 1.22 0.00 0.10 0.00 0.00 66.02 67.36 2qpf s SER 123 CO 0.05 -0.08 1.84 -3.20 0.98 0.00 0.00 173.24 172.82