#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpf s LEU 12 N 0.00 -0.03 0.17 1.53 2.96 -1.25 -0.34 118.68 121.72 2qpf s LEU 12 Ca 0.00 -0.50 0.08 0.00 -0.22 0.00 0.00 54.13 53.49 2qpf s LEU 12 Cb 0.00 0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.93 2qpf s LEU 12 CO 0.00 -0.36 -0.07 -0.04 -1.32 0.00 0.00 176.35 174.56 2qpf s MET 13 N 2.29 2.15 -0.04 1.98 -1.94 0.00 -4.41 119.30 119.34 2qpf s MET 13 Ca 0.07 -1.20 0.03 0.00 -1.71 0.00 0.00 55.69 52.89 2qpf s MET 13 Cb -0.15 -2.23 0.00 0.00 2.01 0.00 0.00 34.83 34.46 2qpf s MET 13 CO -0.20 0.45 -0.13 0.08 -0.01 0.00 0.00 175.02 175.22 2qpf s VAL 14 N -1.64 1.11 -0.06 -6.03 1.01 -1.02 -0.98 120.40 112.78 2qpf s VAL 14 Ca 0.25 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2qpf s VAL 14 Cb -0.09 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.33 2qpf s VAL 14 CO 0.16 0.33 -0.07 -0.54 0.00 0.00 0.00 175.10 174.98 2qpf s LYS 15 N 0.24 1.18 -0.04 2.72 1.02 -0.55 -0.01 119.74 124.30 2qpf s LYS 15 Ca -0.06 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.75 2qpf s LYS 15 Cb -0.11 -1.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.08 2qpf s LYS 15 CO 0.02 -0.09 -0.09 0.08 -0.92 0.00 0.00 175.35 174.35 2qpf s VAL 16 N 1.03 0.86 0.18 3.17 1.01 -0.08 -0.52 120.40 126.04 2qpf s VAL 16 Ca -0.09 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.63 2qpf s VAL 16 Cb -0.14 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2qpf s VAL 16 CO -0.00 0.28 -0.14 -0.76 0.00 0.00 0.00 175.10 174.48 2qpf s LEU 17 N 0.51 2.83 -0.29 3.92 1.43 -0.33 -1.04 118.68 125.71 2qpf s LEU 17 Ca -0.09 -0.65 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 2qpf s LEU 17 Cb -0.12 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.58 2qpf s LEU 17 CO 0.02 0.11 0.06 -0.62 0.23 0.00 0.00 176.35 176.14 2qpf s ASP 18 N -2.77 5.01 0.08 2.29 3.68 0.55 -1.38 116.67 124.14 2qpf s ASP 18 Ca 0.24 -0.78 0.27 0.00 2.13 0.00 0.00 52.55 54.41 2qpf s ASP 18 Cb -0.09 -1.84 1.06 0.00 -1.45 0.00 0.00 42.92 40.60 2qpf s ASP 18 CO 0.14 -0.19 1.85 0.00 0.13 0.00 0.00 175.17 177.10 2qpf n ALA 19 N 4.83 2.27 0.01 3.66 0.00 -0.42 -1.14 120.51 129.72 2qpf n ALA 19 Ca -0.15 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 2qpf n ALA 19 Cb 0.47 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.33 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 0.75 0.00 0.00 2.07 -1.95 -3.39 116.25 113.74 2qpf h VAL 20 Ca 0.00 -2.36 0.00 0.00 0.82 0.00 0.00 66.70 65.16 2qpf h VAL 20 Cb 0.57 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 2qpf h VAL 20 CO 0.00 0.82 -1.04 0.54 0.02 0.00 0.00 177.57 177.91 2qpf n ARG 21 N -3.65 0.60 -2.96 1.57 1.74 -1.23 -4.99 116.66 107.73 2qpf n ARG 21 Ca -0.30 0.11 -0.12 0.00 -0.77 0.00 0.00 57.85 56.77 2qpf n ARG 21 Cb 1.00 -1.81 0.06 0.00 -1.02 0.00 0.00 32.46 30.69 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 1.19 -0.22 3.50 -0.13 0.00 -0.29 -5.04 105.19 104.20 2qpf n GLY 22 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.83 -0.09 0.55 1.61 1.04 -1.12 -5.01 113.70 106.85 2qpf s SER 23 Ca 0.07 -0.82 -0.20 0.00 0.48 0.00 0.00 55.95 55.47 2qpf s SER 23 Cb -0.01 0.54 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 2qpf s SER 23 CO 0.52 -1.05 1.22 -2.84 0.98 0.00 0.00 173.24 172.07 2qpf s PRO 24 N -3.98 3.22 -0.60 4.02 0.02 -1.26 -0.33 135.00 136.09 2qpf s PRO 24 Ca 0.18 1.88 -0.23 0.00 0.02 0.00 0.00 61.00 62.85 2qpf s PRO 24 Cb 0.00 -2.11 0.05 0.00 0.02 0.00 0.00 34.50 32.47 2qpf s PRO 24 CO 0.04 -1.02 0.95 0.00 -0.33 0.00 0.00 177.00 176.64 2qpf s ALA 25 N -1.53 3.13 0.13 -1.55 0.00 -0.21 -4.59 121.76 117.14 2qpf s ALA 25 Ca 0.73 -1.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 2qpf s ALA 25 Cb -0.31 -3.80 -0.07 0.00 0.00 0.00 0.00 23.12 18.94 2qpf s ALA 25 CO 0.36 -2.58 0.59 0.08 0.00 0.00 0.00 175.76 174.21 2qpf s VAL 26 N 4.03 4.76 -1.47 0.00 1.01 -1.26 -4.23 120.40 123.23 2qpf s VAL 26 Ca 0.26 1.06 -0.07 0.00 0.00 0.00 0.00 61.98 63.23 2qpf s VAL 26 Cb -0.14 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2qpf s VAL 26 CO 0.15 0.36 0.79 0.47 0.00 0.00 0.00 175.10 176.87 2qpf n ASP 27 N 1.15 -5.79 -4.68 3.32 8.00 -0.24 -4.95 116.55 113.38 2qpf n ASP 27 Ca -0.07 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.59 2qpf n ASP 27 Cb 0.51 -4.64 -0.02 0.00 -0.02 0.00 0.00 41.12 36.95 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 -3.20 4.39 -0.00 2.53 1.01 -1.26 -4.77 120.40 119.09 2qpf s VAL 28 Ca 0.43 1.69 -0.30 0.00 0.00 0.00 0.00 61.98 63.80 2qpf s VAL 28 Cb -0.20 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.05 2qpf s VAL 28 CO 0.53 -0.05 1.24 0.00 0.00 0.00 0.00 175.10 176.83 2qpf s ALA 29 N 2.55 3.48 -0.10 5.51 0.00 -1.26 -1.87 121.76 130.07 2qpf s ALA 29 Ca 0.53 0.76 0.04 0.00 0.00 0.00 0.00 51.96 53.29 2qpf s ALA 29 Cb -0.22 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2qpf s ALA 29 CO 0.18 -0.67 -0.23 0.08 0.00 0.00 0.00 175.76 175.12 2qpf s VAL 30 N 1.83 1.99 -0.07 0.00 1.01 0.56 -0.73 120.40 124.98 2qpf s VAL 30 Ca 0.58 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2qpf s VAL 30 Cb -0.28 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2qpf s VAL 30 CO 0.25 0.54 -0.16 -0.54 0.00 0.00 0.00 175.10 175.20 2qpf s LYS 31 N 0.38 2.11 -0.10 2.72 1.02 -0.46 -1.23 119.74 124.18 2qpf s LYS 31 Ca -0.18 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.25 2qpf s LYS 31 Cb -0.18 -1.68 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 2qpf s LYS 31 CO 0.08 0.08 -0.10 0.08 -0.92 0.00 0.00 175.35 174.57 2qpf s VAL 32 N 0.55 3.38 0.12 3.17 1.01 0.58 -0.66 120.40 128.56 2qpf s VAL 32 Ca -0.16 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2qpf s VAL 32 Cb -0.16 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 2qpf s VAL 32 CO 0.05 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.15 2qpf s PHE 33 N -0.22 1.81 -0.03 5.22 0.40 0.37 -0.52 117.98 125.00 2qpf s PHE 33 Ca 0.02 -0.43 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 2qpf s PHE 33 Cb -0.13 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 2qpf s PHE 33 CO 0.03 0.25 -0.24 0.21 0.70 0.00 0.00 175.22 176.16 2qpf s LYS 34 N -2.20 2.18 0.34 0.44 2.20 -0.51 -0.41 119.74 121.78 2qpf s LYS 34 Ca 0.10 -0.87 -0.26 0.00 -0.36 0.00 0.00 55.97 54.58 2qpf s LYS 34 Cb -0.09 -1.99 -0.10 0.00 -1.51 0.00 0.00 37.83 34.15 2qpf s LYS 34 CO 0.05 0.46 0.97 0.21 -0.36 0.00 0.00 175.35 176.68 2qpf s LYS 35 N -0.39 4.49 0.49 4.03 2.20 0.12 -2.23 119.74 128.45 2qpf s LYS 35 Ca 0.04 1.37 0.07 0.00 -0.36 0.00 0.00 55.97 57.09 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 0.01 0.19 0.45 0.95 -0.36 0.00 0.00 175.35 176.59 2qpf s THR 36 N -1.64 2.19 0.24 3.43 -4.23 -0.95 -4.61 115.64 110.08 2qpf s THR 36 Ca 0.52 -1.35 -0.05 0.00 -1.18 0.00 0.00 61.69 59.63 2qpf s THR 36 Cb -0.19 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.32 2qpf s THR 36 CO 0.25 0.00 1.83 -1.28 -0.54 0.00 0.00 174.62 174.87 2qpf h SER 37 N 0.79 0.73 1.05 3.99 0.87 -1.98 -1.85 113.55 117.15 2qpf h SER 37 Ca -0.38 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2qpf h SER 37 Cb 1.28 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2qpf h SER 37 CO 0.55 0.44 0.00 1.05 -0.53 0.00 0.00 176.83 178.34 2qpf h GLU 38 N 0.85 0.00 -0.02 2.24 4.11 -2.03 -3.46 114.58 116.26 2qpf h GLU 38 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 2qpf h GLU 38 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2qpf h GLU 38 CO -0.21 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.28 2qpf n GLY 39 N 0.26 1.64 3.71 1.06 0.00 -0.69 -5.11 105.19 106.06 2qpf n GLY 39 Ca 0.02 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.49 1.61 1.04 -1.26 -4.86 113.70 112.56 2qpf s SER 40 Ca 0.00 -0.42 -0.21 0.00 0.48 0.00 0.00 55.95 55.80 2qpf s SER 40 Cb 0.00 -1.09 0.04 0.00 0.10 0.00 0.00 66.02 65.07 2qpf s SER 40 CO 0.00 0.03 0.72 0.26 0.98 0.00 0.00 173.24 175.23 2qpf s TRP 41 N -2.03 2.98 0.12 5.02 0.52 -1.26 -2.24 118.94 122.06 2qpf s TRP 41 Ca 0.30 -0.22 0.00 0.00 0.02 0.00 0.00 56.10 56.21 2qpf s TRP 41 Cb -0.08 -3.63 -0.04 0.00 -1.15 0.00 0.00 33.47 28.57 2qpf s TRP 41 CO 0.21 -1.06 0.28 -1.83 0.02 0.00 0.00 176.95 174.57 2qpf s GLU 42 N 3.06 3.47 0.27 4.98 -1.05 -0.95 -4.93 118.70 123.55 2qpf s GLU 42 Ca 0.22 -0.44 -0.30 0.00 -0.15 0.00 0.00 54.97 54.31 2qpf s GLU 42 Cb -0.16 -2.96 -0.09 0.00 -0.44 0.00 0.00 34.13 30.48 2qpf s GLU 42 CO 0.17 0.53 1.05 -1.25 0.95 0.00 0.00 175.26 176.71 2qpf s PRO 43 N -2.91 4.70 -0.04 -4.83 0.04 -1.26 -1.42 135.00 129.28 2qpf s PRO 43 Ca 0.36 1.71 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 2qpf s PRO 43 Cb -0.12 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 2qpf s PRO 43 CO 0.28 0.29 -0.05 0.34 0.04 0.00 0.00 177.00 177.90 2qpf n PHE 44 N 1.31 0.00 -3.69 0.56 7.35 0.32 -4.79 117.46 118.52 2qpf n PHE 44 Ca -0.01 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.59 2qpf n PHE 44 Cb 0.45 -0.16 -0.02 0.00 0.35 0.00 0.00 39.48 40.10 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 -2.08 -1.31 0.05 3.13 0.00 -1.03 -5.01 121.76 115.51 2qpf s ALA 45 Ca -0.06 -0.02 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 2qpf s ALA 45 Cb 0.02 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.07 2qpf s ALA 45 CO 0.08 -0.91 0.60 -1.54 0.00 0.00 0.00 175.76 174.00 2qpf s SER 46 N -2.85 -0.56 0.02 0.00 1.04 -1.26 -0.31 113.70 109.78 2qpf s SER 46 Ca 0.07 0.32 -0.13 0.00 0.48 0.00 0.00 55.95 56.69 2qpf s SER 46 Cb -0.03 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.67 2qpf s SER 46 CO -0.02 -0.76 0.60 0.61 0.98 0.00 0.00 173.24 174.66 2qpf n GLY 47 N 0.35 0.60 3.13 7.32 0.00 -0.37 -4.98 105.19 111.25 2qpf n GLY 47 Ca -0.18 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 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 0.85 0.35 1.61 1.02 -1.26 -0.32 119.74 119.97 2qpf s LYS 48 Ca 0.14 -0.78 -0.28 0.00 0.02 0.00 0.00 55.97 55.07 2qpf s LYS 48 Cb -0.01 -0.83 -0.10 0.00 -0.52 0.00 0.00 37.83 36.37 2qpf s LYS 48 CO 0.01 0.20 1.29 0.95 -0.92 0.00 0.00 175.35 176.87 2qpf s THR 49 N -0.96 2.77 0.04 2.17 -4.23 -0.78 -4.74 115.64 109.91 2qpf s THR 49 Ca -0.00 0.75 -0.01 0.00 -1.18 0.00 0.00 61.69 61.26 2qpf s THR 49 Cb -0.08 -3.47 0.01 0.00 1.34 0.00 0.00 72.50 70.30 2qpf s THR 49 CO 0.01 0.16 0.05 0.00 -0.54 0.00 0.00 174.62 174.31 2qpf n ALA 50 N 0.66 -0.07 0.27 3.99 0.00 -0.50 -1.08 120.51 123.78 2qpf n ALA 50 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.52 2qpf n ALA 50 Cb 0.43 -0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.61 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 4.39 -1.94 -1.14 114.58 115.89 2qpf h GLU 51 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2qpf h GLU 51 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 2qpf h GLU 51 CO 0.01 0.11 0.00 -1.13 -1.16 0.00 0.00 179.01 176.84 2qpf n SER 52 N -3.46 0.55 0.00 1.42 3.41 -1.26 -4.74 113.62 109.54 2qpf n SER 52 Ca -0.01 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 2qpf n SER 52 Cb 0.26 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 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 0.34 0.81 3.67 5.00 0.00 -0.43 -4.76 105.19 109.82 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 -0.23 2.59 -0.20 1.61 2.02 -1.26 -0.91 118.70 122.32 2qpf s GLU 54 Ca 0.00 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.23 2qpf s GLU 54 Cb 0.00 -2.56 0.04 0.00 0.10 0.00 0.00 34.13 31.71 2qpf s GLU 54 CO 0.00 0.57 -0.13 -1.17 0.02 0.00 0.00 175.26 174.55 2qpf s LEU 55 N -2.00 2.40 0.32 1.80 2.96 0.98 -1.41 118.68 123.73 2qpf s LEU 55 Ca 0.23 -0.88 0.09 0.00 -0.22 0.00 0.00 54.13 53.34 2qpf s LEU 55 Cb -0.12 -1.35 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 2qpf s LEU 55 CO 0.15 -0.11 0.05 -1.00 -1.32 0.00 0.00 176.35 174.12 2qpf s HIS 56 N 1.32 2.65 -0.62 5.38 3.76 -1.26 -2.44 115.29 124.08 2qpf s HIS 56 Ca -0.01 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.55 2qpf s HIS 56 Cb -0.16 -1.46 0.00 0.00 1.11 0.00 0.00 32.58 32.08 2qpf s HIS 56 CO -0.09 0.47 0.00 0.41 -0.85 0.00 0.00 174.74 174.68 2qpf n GLY 57 N -1.01 0.43 0.25 -2.22 0.00 -1.26 -4.94 105.19 96.44 2qpf n GLY 57 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 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 0.51 0.00 0.99 3.38 -1.87 -3.48 115.31 114.84 2qpf h LEU 58 Ca -0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2qpf h LEU 58 Cb 0.83 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2qpf h LEU 58 CO 0.19 0.72 0.09 1.07 0.09 0.00 0.00 178.44 180.60 2qpf n THR 59 N -4.15 0.00 -4.33 0.22 5.66 -1.26 -4.76 114.28 105.66 2qpf n THR 59 Ca 0.00 -0.36 -0.17 0.00 -3.05 0.00 0.00 64.05 60.47 2qpf n THR 59 Cb 0.38 0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.85 0.29 1.09 -4.23 -1.26 -4.59 115.64 105.10 2qpf s THR 60 Ca 0.06 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 2qpf s THR 60 Cb -0.02 -2.50 0.27 0.00 1.34 0.00 0.00 72.50 71.59 2qpf s THR 60 CO 0.04 -0.17 1.94 0.44 -0.54 0.00 0.00 174.62 176.33 2qpf h ASP 61 N 2.41 0.97 0.10 3.99 3.32 -1.98 0.24 116.42 125.46 2qpf h ASP 61 Ca -0.38 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.51 2qpf h ASP 61 Cb 1.23 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2qpf h ASP 61 CO 0.64 0.67 -0.50 -0.08 -1.72 0.00 0.00 179.24 178.25 2qpf h GLU 62 N 1.13 0.45 0.12 3.56 4.57 -2.03 -3.19 114.58 119.19 2qpf h GLU 62 Ca 0.35 -0.26 -0.28 0.00 -1.18 0.00 0.00 59.36 57.98 2qpf h GLU 62 Cb -0.01 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2qpf h GLU 62 CO -0.10 0.85 -1.31 0.87 -1.18 0.00 0.00 179.01 178.14 2qpf h LYS 63 N 0.36 0.25 -4.62 1.92 1.57 -1.88 -3.40 116.57 110.77 2qpf h LYS 63 Ca 0.02 -0.43 -0.69 0.00 -1.87 0.00 0.00 60.65 57.69 2qpf h LYS 63 Cb 1.00 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.43 2qpf h LYS 63 CO 0.09 1.17 2.75 0.34 -0.57 0.00 0.00 179.45 183.23 2qpf n PHE 64 N -3.50 3.72 -2.24 -1.35 7.35 0.81 -4.94 117.46 117.31 2qpf n PHE 64 Ca -0.10 -2.81 -0.26 0.00 -0.76 0.00 0.00 57.45 53.52 2qpf n PHE 64 Cb 1.03 -2.52 0.10 0.00 0.35 0.00 0.00 39.48 38.43 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 3.88 2.21 0.28 -2.13 -7.23 -1.26 -4.89 120.40 111.26 2qpf s VAL 65 Ca 0.50 -0.30 -0.30 0.00 -1.81 0.00 0.00 61.98 60.07 2qpf s VAL 65 Cb 0.11 -2.91 -0.12 0.00 0.56 0.00 0.00 36.38 34.01 2qpf s VAL 65 CO -0.02 0.00 1.47 1.21 -0.31 0.00 0.00 175.10 177.45 2qpf n GLU 66 N -3.04 2.35 0.00 4.82 2.13 -1.26 -4.80 120.64 120.84 2qpf n GLU 66 Ca 0.11 0.84 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2qpf n GLU 66 Cb 0.60 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.77 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 1.88 -0.79 3.65 8.31 0.00 -0.97 -5.02 105.19 112.25 2qpf n GLY 67 Ca 0.09 -1.23 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 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 5.27 0.20 1.61 1.01 -1.26 -0.51 120.40 124.72 2qpf s VAL 68 Ca 0.00 0.42 0.10 0.00 0.00 0.00 0.00 61.98 62.50 2qpf s VAL 68 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2qpf s VAL 68 CO 0.00 0.27 -0.11 -0.31 0.00 0.00 0.00 175.10 174.95 2qpf s TYR 69 N 1.37 2.57 -0.08 5.22 1.51 0.17 0.11 117.35 128.22 2qpf s TYR 69 Ca 0.13 -0.25 -0.01 0.00 -1.01 0.00 0.00 57.07 55.93 2qpf s TYR 69 Cb -0.15 -1.23 0.03 0.00 -0.11 0.00 0.00 41.96 40.50 2qpf s TYR 69 CO 0.07 0.54 -0.02 0.50 -1.11 0.00 0.00 175.55 175.53 2qpf s ARG 70 N -2.96 0.87 -0.26 -0.62 3.52 0.46 -1.84 118.95 118.11 2qpf s ARG 70 Ca 0.25 -0.00 -0.07 0.00 -0.13 0.00 0.00 55.73 55.78 2qpf s ARG 70 Cb -0.08 -1.16 -0.01 0.00 -1.56 0.00 0.00 34.95 32.14 2qpf s ARG 70 CO 0.15 -0.30 0.07 0.08 -0.81 0.00 0.00 175.30 174.49 2qpf s VAL 71 N 1.90 4.13 -0.20 7.11 1.01 -0.29 -0.47 120.40 133.59 2qpf s VAL 71 Ca 0.05 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2qpf s VAL 71 Cb -0.12 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2qpf s VAL 71 CO -0.06 0.26 -0.07 -0.70 0.00 0.00 0.00 175.10 174.53 2qpf s GLU 72 N 1.57 3.37 -0.23 2.72 2.12 0.17 -0.94 118.70 127.47 2qpf s GLU 72 Ca 0.05 -0.64 -0.11 0.00 0.36 0.00 0.00 54.97 54.63 2qpf s GLU 72 Cb -0.16 -2.91 -0.05 0.00 0.26 0.00 0.00 34.13 31.27 2qpf s GLU 72 CO 0.03 -0.11 0.18 -0.51 -0.54 0.00 0.00 175.26 174.30 2qpf s LEU 73 N 1.22 4.13 -1.35 2.70 1.43 0.19 -1.36 118.68 125.65 2qpf s LEU 73 Ca 0.03 0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 53.13 2qpf s LEU 73 Cb -0.14 -2.14 0.07 0.00 0.03 0.00 0.00 46.19 44.01 2qpf s LEU 73 CO -0.02 0.07 1.91 -0.67 0.23 0.00 0.00 176.35 177.86 2qpf n ASP 74 N 4.17 4.58 0.16 2.29 -0.08 0.09 -1.80 116.55 125.95 2qpf n ASP 74 Ca -0.15 -2.90 0.01 0.00 -1.51 0.00 0.00 54.79 50.25 2qpf n ASP 74 Cb 0.52 -1.70 0.27 0.00 2.34 0.00 0.00 41.12 42.55 2qpf n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2qpf h THR 75 N 4.88 1.27 -0.13 5.18 1.35 -1.87 -3.05 112.91 120.53 2qpf h THR 75 Ca 0.48 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.62 2qpf h THR 75 Cb 0.78 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.14 2qpf h THR 75 CO 1.61 0.48 0.04 0.50 -0.25 0.00 0.00 175.52 177.89 2qpf h LYS 76 N 0.00 0.20 -0.68 4.72 3.64 -1.75 -1.92 116.57 120.78 2qpf h LYS 76 Ca -0.00 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2qpf h LYS 76 Cb 0.91 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 2qpf h LYS 76 CO 0.06 0.35 0.23 0.77 -2.27 0.00 0.00 179.45 178.59 2qpf h SER 77 N 0.02 0.95 0.22 4.20 0.02 -1.88 -1.96 113.55 115.12 2qpf h SER 77 Ca 0.04 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2qpf h SER 77 Cb 0.23 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.50 2qpf h SER 77 CO -0.00 0.88 -0.27 0.22 -1.14 0.00 0.00 176.83 176.51 2qpf h TYR 78 N 0.99 -0.73 -0.52 3.45 3.20 -1.39 -1.75 116.97 120.23 2qpf h TYR 78 Ca 0.22 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 2qpf h TYR 78 Cb 0.26 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 2qpf h TYR 78 CO 0.02 -0.39 -0.01 -1.49 -1.64 0.00 0.00 178.16 174.65 2qpf h TRP 79 N -0.54 0.96 -0.90 -3.82 4.06 -1.29 -2.95 115.95 111.46 2qpf h TRP 79 Ca 0.01 -0.15 0.00 0.00 2.06 0.00 0.00 58.89 60.81 2qpf h TRP 79 Cb 0.52 -0.26 -0.04 0.00 -1.00 0.00 0.00 29.16 28.38 2qpf h TRP 79 CO -0.20 0.87 0.58 0.87 -3.56 0.00 0.00 178.44 177.00 2qpf h LYS 80 N 0.82 1.21 -0.35 0.49 1.57 -1.19 -0.83 116.57 118.28 2qpf h LYS 80 Ca 0.15 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2qpf h LYS 80 Cb 0.50 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 2qpf h LYS 80 CO 0.02 0.82 0.24 1.15 -0.57 0.00 0.00 179.45 181.11 2qpf h THR 81 N 1.23 1.01 -0.29 -0.16 2.02 -1.14 -1.20 112.91 114.37 2qpf h THR 81 Ca 0.33 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.39 2qpf h THR 81 Cb -0.10 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2qpf h THR 81 CO -0.07 0.06 0.00 0.18 0.37 0.00 0.00 175.52 176.07 2qpf n LEU 82 N -4.48 1.80 -0.73 2.58 4.77 -0.69 -4.91 117.00 115.34 2qpf n LEU 82 Ca 0.03 -0.90 -0.08 0.00 -0.03 0.00 0.00 56.01 55.03 2qpf n LEU 82 Cb 0.17 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2qpf n LEU 82 CO 0.35 0.40 -0.09 0.61 -1.33 0.00 0.00 177.39 177.33 2qpf n GLY 83 N 0.87 0.78 3.37 -0.72 0.00 -0.45 -5.03 105.19 104.01 2qpf n GLY 83 Ca 0.10 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.34 2.65 -0.54 -0.61 1.01 -0.40 -5.00 121.20 115.96 2qpf s ILE 84 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 59.60 2qpf s ILE 84 Cb 0.00 -2.02 0.07 0.00 0.01 0.00 0.00 42.46 40.51 2qpf s ILE 84 CO 0.00 0.57 0.70 -0.94 0.00 0.00 0.00 174.94 175.27 2qpf s SER 85 N -0.31 6.22 0.69 3.58 1.04 -1.26 -2.83 113.70 120.82 2qpf s SER 85 Ca 0.02 -0.98 -0.06 0.00 0.48 0.00 0.00 55.95 55.41 2qpf s SER 85 Cb -0.13 -2.32 0.05 0.00 0.10 0.00 0.00 66.02 63.73 2qpf s SER 85 CO 0.02 -1.01 1.00 -2.16 0.98 0.00 0.00 173.24 172.07 2qpf s PRO 86 N 2.87 2.31 -0.14 4.02 0.04 -1.26 -4.99 135.00 137.85 2qpf s PRO 86 Ca 0.16 -0.21 -0.28 0.00 0.04 0.00 0.00 61.00 60.71 2qpf s PRO 86 Cb -0.19 -2.19 -0.25 0.00 0.04 0.00 0.00 34.50 31.91 2qpf s PRO 86 CO 0.11 -1.15 0.73 0.35 0.04 0.00 0.00 177.00 177.07 2qpf h PHE 87 N -0.53 0.00 -3.79 0.56 3.57 -1.51 -3.48 116.94 111.76 2qpf h PHE 87 Ca -0.44 0.00 -0.48 0.00 3.53 0.00 0.00 57.97 60.57 2qpf h PHE 87 Cb 1.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 2qpf h PHE 87 CO 0.36 1.02 0.19 -1.01 -2.23 0.00 0.00 178.31 176.64 2qpf s HIS 88 N -2.22 3.46 0.18 0.41 3.76 -1.26 -4.96 115.29 114.65 2qpf s HIS 88 Ca -0.19 1.42 0.12 0.00 -0.15 0.00 0.00 55.06 56.25 2qpf s HIS 88 Cb -0.02 -2.68 0.27 0.00 1.11 0.00 0.00 32.58 31.26 2qpf s HIS 88 CO 0.68 0.12 1.55 0.93 -0.85 0.00 0.00 174.74 177.16 2qpf h GLU 89 N 2.56 0.00 -2.11 1.40 4.39 -1.99 -3.38 114.58 115.44 2qpf h GLU 89 Ca -0.48 0.00 0.31 0.00 0.34 0.00 0.00 59.36 59.53 2qpf h GLU 89 Cb 1.18 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 2qpf h GLU 89 CO 0.64 0.65 0.83 -0.59 -1.16 0.00 0.00 179.01 179.38 2qpf s PHE 90 N -3.34 0.02 -0.15 4.33 -0.12 -1.26 -4.08 117.98 113.38 2qpf s PHE 90 Ca -0.00 -0.19 -0.00 0.00 -0.05 0.00 0.00 56.93 56.68 2qpf s PHE 90 Cb 0.11 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 43.12 2qpf s PHE 90 CO 0.76 -0.40 -0.06 0.00 -0.05 0.00 0.00 175.22 175.47 2qpf s ALA 91 N -2.11 1.42 0.17 1.99 0.00 -0.75 -4.89 121.76 117.59 2qpf s ALA 91 Ca 0.26 -0.72 0.10 0.00 0.00 0.00 0.00 51.96 51.60 2qpf s ALA 91 Cb -0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 2qpf s ALA 91 CO 0.00 -0.64 -0.19 0.16 0.00 0.00 0.00 175.76 175.09 2qpf s ASP 92 N 1.66 3.75 -0.12 0.00 -4.77 -1.26 -0.63 116.67 115.29 2qpf s ASP 92 Ca 0.02 -0.71 -0.00 0.00 -3.30 0.00 0.00 52.55 48.56 2qpf s ASP 92 Cb -0.14 -0.44 0.03 0.00 -1.09 0.00 0.00 42.92 41.27 2qpf s ASP 92 CO -0.08 0.13 -0.08 -0.69 0.70 0.00 0.00 175.17 175.15 2qpf s VAL 93 N -1.50 1.09 -0.12 2.11 1.01 -0.12 -4.99 120.40 117.89 2qpf s VAL 93 Ca 0.21 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2qpf s VAL 93 Cb -0.09 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2qpf s VAL 93 CO 0.11 0.36 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 2qpf s VAL 94 N 1.68 2.93 0.07 2.92 1.01 -1.26 -1.14 120.40 126.61 2qpf s VAL 94 Ca 0.05 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.05 2qpf s VAL 94 Cb -0.13 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 34.11 2qpf s VAL 94 CO -0.08 0.53 0.64 0.72 0.00 0.00 0.00 175.10 176.90 2qpf s PHE 95 N 0.29 -0.59 -0.06 5.22 -0.71 -0.77 -5.02 117.98 116.34 2qpf s PHE 95 Ca -0.11 0.66 -0.21 0.00 -1.04 0.00 0.00 56.93 56.23 2qpf s PHE 95 Cb -0.16 0.50 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 2qpf s PHE 95 CO 0.06 -0.75 0.60 0.99 -1.34 0.00 0.00 175.22 174.78 2qpf s THR 96 N -2.69 5.05 0.03 -4.49 2.01 -1.26 -0.65 115.64 113.63 2qpf s THR 96 Ca -0.04 1.24 0.09 0.00 0.31 0.00 0.00 61.69 63.29 2qpf s THR 96 Cb -0.01 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.54 2qpf s THR 96 CO -0.04 0.32 -0.26 0.00 -0.69 0.00 0.00 174.62 173.96 2qpf s ALA 97 N 0.46 2.25 -1.68 7.40 0.00 0.34 -4.77 121.76 125.75 2qpf s ALA 97 Ca 0.32 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.05 2qpf s ALA 97 Cb -0.17 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2qpf s ALA 97 CO 0.15 0.54 0.00 0.09 0.00 0.00 0.00 175.76 176.54 2qpf n ASN 98 N 1.93 -5.57 0.03 0.00 3.02 -1.26 -2.30 115.26 111.11 2qpf n ASN 98 Ca -0.17 0.04 -0.20 0.00 -0.03 0.00 0.00 54.58 54.22 2qpf n ASN 98 Cb 0.52 -4.66 -0.10 0.00 -0.61 0.00 0.00 39.78 34.93 2qpf n ASN 98 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2qpf h ASP 99 N 0.00 0.92 -3.45 6.41 2.03 -1.91 -3.39 116.42 117.03 2qpf h ASP 99 Ca -0.46 -0.72 -0.62 0.00 -0.73 0.00 0.00 57.03 54.50 2qpf h ASP 99 Cb 1.34 -0.28 -0.42 0.00 -0.83 0.00 0.00 39.33 39.14 2qpf h ASP 99 CO 0.55 1.52 -0.60 -0.94 -1.03 0.00 0.00 179.24 178.74 2qpf s SER 100 N -7.27 4.58 0.00 4.15 1.04 -1.26 -5.03 113.70 109.91 2qpf s SER 100 Ca -0.10 -3.58 0.00 0.00 0.48 0.00 0.00 55.95 52.75 2qpf s SER 100 Cb 0.07 -1.60 0.00 0.00 0.10 0.00 0.00 66.02 64.60 2qpf s SER 100 CO 0.92 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.62 2qpf n GLY 101 N 2.34 -2.04 3.69 7.32 0.00 -1.26 -4.93 105.19 110.31 2qpf n GLY 101 Ca 0.16 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.59 3.50 0.30 1.61 0.09 -1.26 -4.32 115.29 111.62 2qpf s HIS 102 Ca 0.00 1.34 0.03 0.00 -0.00 0.00 0.00 55.06 56.43 2qpf s HIS 102 Cb 0.00 -2.99 -0.06 0.00 -0.00 0.00 0.00 32.58 29.53 2qpf s HIS 102 CO 0.00 -0.12 0.07 1.03 -0.00 0.00 0.00 174.74 175.71 2qpf s ARG 103 N 1.64 1.58 -0.12 1.40 1.81 -1.26 -5.06 118.95 118.93 2qpf s ARG 103 Ca 0.41 -1.87 -0.05 0.00 -1.72 0.00 0.00 55.73 52.51 2qpf s ARG 103 Cb -0.18 -0.71 -0.04 0.00 -0.45 0.00 0.00 34.95 33.58 2qpf s ARG 103 CO 0.16 -0.21 0.05 -1.01 -0.68 0.00 0.00 175.30 173.61 2qpf s HIS 104 N -3.42 3.27 -0.05 -0.53 3.76 -0.49 -4.91 115.29 112.93 2qpf s HIS 104 Ca 0.37 0.20 0.07 0.00 -0.15 0.00 0.00 55.06 55.55 2qpf s HIS 104 Cb 0.08 -1.91 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 2qpf s HIS 104 CO 0.15 0.41 -0.25 0.71 -0.85 0.00 0.00 174.74 174.91 2qpf s TYR 105 N -0.51 2.42 -0.15 1.40 1.51 0.54 -1.61 117.35 120.95 2qpf s TYR 105 Ca 0.10 -0.64 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 2qpf s TYR 105 Cb -0.12 -1.58 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 2qpf s TYR 105 CO 0.02 -0.16 -0.21 0.99 -1.11 0.00 0.00 175.55 175.08 2qpf s THR 106 N -0.29 2.03 -0.40 -0.71 2.01 0.15 -0.82 115.64 117.61 2qpf s THR 106 Ca 0.00 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.91 2qpf s THR 106 Cb -0.13 -1.80 0.02 0.00 0.01 0.00 0.00 72.50 70.60 2qpf s THR 106 CO 0.02 0.54 0.27 -0.63 -0.69 0.00 0.00 174.62 174.14 2qpf s ILE 107 N 0.95 5.08 -0.05 1.82 -1.09 -0.15 -0.78 121.20 126.97 2qpf s ILE 107 Ca -0.04 -0.71 -0.03 0.00 -2.23 0.00 0.00 60.65 57.64 2qpf s ILE 107 Cb -0.15 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 2qpf s ILE 107 CO -0.05 -0.29 0.12 0.00 -1.23 0.00 0.00 174.94 173.50 2qpf s ALA 108 N 1.65 3.76 0.01 9.38 0.00 0.17 -1.48 121.76 135.25 2qpf s ALA 108 Ca 0.04 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 2qpf s ALA 108 Cb -0.19 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 2qpf s ALA 108 CO 0.09 0.67 0.02 0.00 0.00 0.00 0.00 175.76 176.54 2qpf s ALA 109 N -1.15 -0.02 -0.14 0.00 0.00 0.33 -1.18 121.76 119.60 2qpf s ALA 109 Ca 0.21 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2qpf s ALA 109 Cb -0.12 0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2qpf s ALA 109 CO 0.11 -0.12 -0.14 -1.17 0.00 0.00 0.00 175.76 174.43 2qpf s LEU 110 N -0.99 1.69 -0.12 0.00 2.96 -0.08 -1.18 118.68 120.95 2qpf s LEU 110 Ca -0.11 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2qpf s LEU 110 Cb -0.07 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.44 2qpf s LEU 110 CO -0.00 -0.04 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.18 2qpf s LEU 111 N 1.34 3.22 0.22 -0.68 1.43 -0.48 -1.66 118.68 122.08 2qpf s LEU 111 Ca 0.02 -0.08 0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2qpf s LEU 111 Cb -0.13 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2qpf s LEU 111 CO -0.08 0.25 -0.10 -0.44 0.23 0.00 0.00 176.35 176.20 2qpf s SER 112 N -0.10 2.48 0.29 2.29 0.01 0.13 -1.30 113.70 117.49 2qpf s SER 112 Ca 0.02 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.22 2qpf s SER 112 Cb -0.13 -0.12 0.64 0.00 0.21 0.00 0.00 66.02 66.62 2qpf s SER 112 CO 0.03 -0.27 1.78 -0.65 0.41 0.00 0.00 173.24 174.54 2qpf h PRO 113 N 2.49 0.74 -0.16 12.44 0.11 -1.99 -2.86 132.00 142.77 2qpf h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2qpf h PRO 113 Cb 1.22 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qpf h PRO 113 CO 0.64 0.49 0.00 0.66 -0.21 0.00 0.00 178.00 179.58 2qpf n TYR 114 N -4.77 0.40 -3.59 0.65 4.02 -1.26 -1.20 117.16 111.41 2qpf n TYR 114 Ca 0.21 -0.75 -0.16 0.00 -0.01 0.00 0.00 57.90 57.18 2qpf n TYR 114 Cb 0.49 -0.16 -0.07 0.00 -0.02 0.00 0.00 39.34 39.58 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 -1.80 -0.65 0.04 7.72 0.15 -1.08 -4.98 113.70 113.10 2qpf s SER 115 Ca 0.27 0.96 -0.10 0.00 0.70 0.00 0.00 55.95 57.79 2qpf s SER 115 Cb 0.21 0.90 0.01 0.00 -1.71 0.00 0.00 66.02 65.43 2qpf s SER 115 CO 0.07 -0.43 0.20 -0.72 1.20 0.00 0.00 173.24 173.56 2qpf s TYR 116 N -0.51 0.03 0.05 3.44 -0.85 -1.26 0.20 117.35 118.45 2qpf s TYR 116 Ca -0.06 -0.24 0.08 0.00 -0.52 0.00 0.00 57.07 56.34 2qpf s TYR 116 Cb -0.02 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.27 2qpf s TYR 116 CO 0.06 -0.43 -0.23 0.45 -1.52 0.00 0.00 175.55 173.87 2qpf s SER 117 N -2.04 2.79 -0.00 -0.18 0.15 -0.66 -4.98 113.70 108.78 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 -0.23 -0.00 0.00 -1.71 0.00 0.00 66.02 64.06 2qpf s SER 117 CO -0.03 0.19 -0.04 0.28 1.20 0.00 0.00 173.24 174.84 2qpf s THR 118 N -0.84 0.33 0.05 6.45 -1.32 -1.26 -0.90 115.64 118.14 2qpf s THR 118 Ca 0.09 -0.17 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 2qpf s THR 118 Cb -0.09 -0.28 -0.02 0.00 -1.51 0.00 0.00 72.50 70.59 2qpf s THR 118 CO 0.02 0.09 -0.10 -0.89 -2.21 0.00 0.00 174.62 171.54 2qpf s THR 119 N -0.08 0.70 -0.14 5.08 2.01 -0.33 -5.01 115.64 117.88 2qpf s THR 119 Ca 0.01 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 2qpf s THR 119 Cb -0.02 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 2qpf s THR 119 CO -0.00 -0.29 -0.09 0.00 -0.69 0.00 0.00 174.62 173.55 2qpf s ALA 120 N -1.24 2.77 -0.23 7.40 0.00 -1.26 -0.65 121.76 128.55 2qpf s ALA 120 Ca -0.07 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 2qpf s ALA 120 Cb -0.09 -1.34 -0.00 0.00 0.00 0.00 0.00 23.12 21.69 2qpf s ALA 120 CO 0.01 0.25 -0.05 0.08 0.00 0.00 0.00 175.76 176.05 2qpf s VAL 121 N 0.30 3.25 -0.07 0.00 1.01 0.04 -4.97 120.40 119.96 2qpf s VAL 121 Ca -0.08 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2qpf s VAL 121 Cb -0.15 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 2qpf s VAL 121 CO 0.05 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.66 2qpf s VAL 122 N 1.45 2.77 0.00 2.92 1.01 -1.26 -0.67 120.40 126.62 2qpf s VAL 122 Ca 0.05 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2qpf s VAL 122 Cb -0.15 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2qpf s VAL 122 CO -0.04 0.57 0.00 -1.54 0.00 0.00 0.00 175.10 174.09