#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 1.75 -3.48 1.97 -0.04 -1.26 -4.51 135.00 129.44 2qpf n PRO 11 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 2qpf n PRO 11 Cb 0.00 -0.15 -0.12 0.00 -0.04 0.00 0.00 33.50 33.19 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 -0.07 0.20 1.53 2.96 -1.25 0.23 118.68 122.29 2qpf s LEU 12 Ca 0.00 -0.47 0.10 0.00 -0.22 0.00 0.00 54.13 53.55 2qpf s LEU 12 Cb 0.00 0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.97 2qpf s LEU 12 CO 0.00 -0.35 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.46 2qpf s MET 13 N 2.31 1.77 -0.05 1.98 -1.94 -0.31 -4.45 119.30 118.60 2qpf s MET 13 Ca 0.08 -1.46 0.02 0.00 -1.71 0.00 0.00 55.69 52.62 2qpf s MET 13 Cb -0.15 -1.96 0.01 0.00 2.01 0.00 0.00 34.83 34.73 2qpf s MET 13 CO -0.20 0.40 -0.10 0.08 -0.01 0.00 0.00 175.02 175.19 2qpf s VAL 14 N -1.81 0.96 -0.06 -6.03 1.01 -1.03 -1.28 120.40 112.15 2qpf s VAL 14 Ca 0.24 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.82 2qpf s VAL 14 Cb -0.08 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.45 2qpf s VAL 14 CO 0.13 0.30 -0.07 -0.54 0.00 0.00 0.00 175.10 174.92 2qpf s LYS 15 N 0.47 1.24 -0.05 2.72 1.02 -0.69 0.53 119.74 124.98 2qpf s LYS 15 Ca -0.09 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 55.69 2qpf s LYS 15 Cb -0.13 -1.16 0.01 0.00 -0.52 0.00 0.00 37.83 36.03 2qpf s LYS 15 CO 0.02 -0.08 -0.10 0.08 -0.92 0.00 0.00 175.35 174.35 2qpf s VAL 16 N 1.00 0.90 0.17 3.17 1.01 0.66 -0.64 120.40 126.67 2qpf s VAL 16 Ca -0.09 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 61.62 2qpf s VAL 16 Cb -0.14 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2qpf s VAL 16 CO -0.00 0.29 -0.24 -0.76 0.00 0.00 0.00 175.10 174.39 2qpf s LEU 17 N 0.53 2.40 -0.28 3.92 1.43 -0.26 -0.66 118.68 125.75 2qpf s LEU 17 Ca -0.10 -0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 52.13 2qpf s LEU 17 Cb -0.13 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 44.98 2qpf s LEU 17 CO 0.02 0.11 0.04 -0.62 0.23 0.00 0.00 176.35 176.13 2qpf s ASP 18 N -2.46 4.88 0.05 2.29 -1.08 0.08 -0.76 116.67 119.67 2qpf s ASP 18 Ca 0.17 -0.79 0.27 0.00 -0.52 0.00 0.00 52.55 51.69 2qpf s ASP 18 Cb -0.08 -1.81 1.11 0.00 -1.46 0.00 0.00 42.92 40.68 2qpf s ASP 18 CO 0.08 -0.18 1.87 0.00 0.52 0.00 0.00 175.17 177.46 2qpf n ALA 19 N 4.80 2.27 0.04 3.66 0.00 -0.03 -1.59 120.51 129.66 2qpf n ALA 19 Ca -0.15 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 2qpf n ALA 19 Cb 0.47 -1.45 -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 0.82 0.00 0.00 2.07 -1.94 -3.39 116.25 113.81 2qpf h VAL 20 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2qpf h VAL 20 Cb 0.53 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2qpf h VAL 20 CO 0.00 0.86 -1.18 0.54 0.02 0.00 0.00 177.57 177.81 2qpf n ARG 21 N -3.51 0.46 -3.27 1.57 1.74 -1.24 -5.00 116.66 107.40 2qpf n ARG 21 Ca -0.27 -0.04 -0.15 0.00 -0.77 0.00 0.00 57.85 56.62 2qpf n ARG 21 Cb 1.06 -1.45 0.08 0.00 -1.02 0.00 0.00 32.46 31.13 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 1.44 -0.37 3.37 -0.13 0.00 -0.62 -5.02 105.19 103.86 2qpf n GLY 22 Ca 0.02 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.12 -0.01 0.69 1.61 1.04 -1.15 -5.02 113.70 106.75 2qpf s SER 23 Ca 0.05 -0.81 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 2qpf s SER 23 Cb -0.01 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2qpf s SER 23 CO 0.66 -0.92 1.26 -2.84 0.98 0.00 0.00 173.24 172.38 2qpf s PRO 24 N -3.95 2.32 -0.56 4.02 0.02 -1.26 -0.74 135.00 134.85 2qpf s PRO 24 Ca 0.16 1.95 -0.22 0.00 0.02 0.00 0.00 61.00 62.90 2qpf s PRO 24 Cb 0.03 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.77 2qpf s PRO 24 CO -0.01 -1.74 0.86 0.00 -0.33 0.00 0.00 177.00 175.78 2qpf s ALA 25 N -1.64 3.22 0.03 -1.55 0.00 0.16 -4.54 121.76 117.44 2qpf s ALA 25 Ca 0.79 -1.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.08 2qpf s ALA 25 Cb -0.34 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.07 2qpf s ALA 25 CO 0.42 -2.37 0.43 0.08 0.00 0.00 0.00 175.76 174.32 2qpf s VAL 26 N 3.59 5.01 -0.58 0.00 1.01 -1.26 -4.26 120.40 123.90 2qpf s VAL 26 Ca 0.24 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2qpf s VAL 26 Cb -0.16 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2qpf s VAL 26 CO 0.15 0.50 0.00 0.47 0.00 0.00 0.00 175.10 176.22 2qpf n ASP 27 N 1.58 -3.35 -4.67 3.32 9.92 -0.55 -4.96 116.55 117.83 2qpf n ASP 27 Ca -0.12 0.10 -0.43 0.00 -0.53 0.00 0.00 54.79 53.82 2qpf n ASP 27 Cb 0.52 -1.70 -0.02 0.00 -0.64 0.00 0.00 41.12 39.28 2qpf n ASP 27 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2qpf s VAL 28 N -2.23 4.43 0.06 2.53 1.01 -1.26 -4.73 120.40 120.20 2qpf s VAL 28 Ca 0.00 1.72 -0.31 0.00 0.00 0.00 0.00 61.98 63.40 2qpf s VAL 28 Cb 0.00 -4.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 2qpf s VAL 28 CO 0.00 -0.12 1.22 0.00 0.00 0.00 0.00 175.10 176.20 2qpf s ALA 29 N 3.13 3.41 -0.07 5.51 0.00 -1.26 -1.45 121.76 131.03 2qpf s ALA 29 Ca 0.51 0.87 0.04 0.00 0.00 0.00 0.00 51.96 53.38 2qpf s ALA 29 Cb -0.20 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2qpf s ALA 29 CO 0.13 -0.46 -0.20 0.08 0.00 0.00 0.00 175.76 175.32 2qpf s VAL 30 N 1.10 1.67 -0.07 0.00 1.01 0.68 -0.71 120.40 124.07 2qpf s VAL 30 Ca 0.59 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2qpf s VAL 30 Cb -0.30 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2qpf s VAL 30 CO 0.29 0.47 -0.16 -0.54 0.00 0.00 0.00 175.10 175.17 2qpf s LYS 31 N 0.25 2.01 -0.07 2.72 1.02 -0.56 -1.43 119.74 123.67 2qpf s LYS 31 Ca -0.11 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.33 2qpf s LYS 31 Cb -0.15 -1.63 -0.03 0.00 -0.52 0.00 0.00 37.83 35.51 2qpf s LYS 31 CO 0.05 0.11 -0.08 0.08 -0.92 0.00 0.00 175.35 174.58 2qpf s VAL 32 N 0.46 3.58 0.10 3.17 1.01 0.15 -0.25 120.40 128.61 2qpf s VAL 32 Ca -0.13 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2qpf s VAL 32 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 2qpf s VAL 32 CO 0.05 0.59 -0.20 -0.36 0.00 0.00 0.00 175.10 175.17 2qpf s PHE 33 N -0.66 1.72 -0.07 5.22 0.40 0.67 -1.18 117.98 124.08 2qpf s PHE 33 Ca 0.10 -0.42 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 2qpf s PHE 33 Cb -0.11 -0.95 -0.02 0.00 0.51 0.00 0.00 43.02 42.45 2qpf s PHE 33 CO 0.02 0.18 -0.19 0.21 0.70 0.00 0.00 175.22 176.13 2qpf s LYS 34 N -1.85 2.67 0.30 0.44 2.20 -0.45 -0.99 119.74 122.06 2qpf s LYS 34 Ca 0.05 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 54.58 2qpf s LYS 34 Cb -0.10 -2.31 -0.09 0.00 -1.51 0.00 0.00 37.83 33.82 2qpf s LYS 34 CO 0.04 0.44 1.09 0.21 -0.36 0.00 0.00 175.35 176.76 2qpf s LYS 35 N -0.27 4.56 0.61 4.03 2.20 0.04 -1.73 119.74 129.17 2qpf s LYS 35 Ca 0.01 1.75 0.02 0.00 -0.36 0.00 0.00 55.97 57.39 2qpf s LYS 35 Cb -0.13 -3.08 0.08 0.00 -1.51 0.00 0.00 37.83 33.18 2qpf s LYS 35 CO 0.03 0.16 0.85 0.95 -0.36 0.00 0.00 175.35 176.97 2qpf s THR 36 N -1.24 2.40 0.34 3.43 -4.23 0.06 -4.69 115.64 111.71 2qpf s THR 36 Ca 0.47 -0.72 0.02 0.00 -1.18 0.00 0.00 61.69 60.28 2qpf s THR 36 Cb -0.30 -2.69 0.26 0.00 1.34 0.00 0.00 72.50 71.11 2qpf s THR 36 CO 0.39 0.00 2.00 0.28 -0.54 0.00 0.00 174.62 176.75 2qpf h SER 37 N -0.10 0.74 1.01 3.99 0.02 -1.97 -1.92 113.55 115.32 2qpf h SER 37 Ca -0.38 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2qpf h SER 37 Cb 1.28 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2qpf h SER 37 CO 0.45 0.55 0.00 -1.84 -1.14 0.00 0.00 176.83 174.85 2qpf n GLU 38 N -4.43 0.18 0.00 3.45 0.28 -1.26 -4.91 120.64 113.95 2qpf n GLU 38 Ca 0.06 0.29 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 2qpf n GLU 38 Cb 0.05 -1.78 0.00 0.00 1.43 0.00 0.00 31.44 31.14 2qpf n GLU 38 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qpf n GLY 39 N 0.62 0.73 3.91 -1.84 0.00 -0.72 -5.10 105.19 102.80 2qpf n GLY 39 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.27 6.38 -0.25 1.61 1.04 -1.26 -4.74 113.70 114.21 2qpf s SER 40 Ca 0.00 0.68 -0.19 0.00 0.48 0.00 0.00 55.95 56.92 2qpf s SER 40 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 2qpf s SER 40 CO 0.00 -0.28 0.58 0.26 0.98 0.00 0.00 173.24 174.78 2qpf s TRP 41 N -2.25 3.29 0.00 5.02 0.52 -1.26 -0.76 118.94 123.50 2qpf s TRP 41 Ca 0.43 0.75 0.03 0.00 0.02 0.00 0.00 56.10 57.34 2qpf s TRP 41 Cb -0.10 -2.78 -0.03 0.00 -1.15 0.00 0.00 33.47 29.40 2qpf s TRP 41 CO 0.34 -0.29 -0.07 -1.83 0.02 0.00 0.00 176.95 175.12 2qpf s GLU 42 N 2.34 2.53 0.26 4.98 -1.05 -0.71 -4.94 118.70 122.12 2qpf s GLU 42 Ca 0.24 -0.73 -0.31 0.00 -0.15 0.00 0.00 54.97 54.03 2qpf s GLU 42 Cb -0.16 -2.49 -0.13 0.00 -0.44 0.00 0.00 34.13 30.92 2qpf s GLU 42 CO 0.09 0.60 1.42 -2.30 0.95 0.00 0.00 175.26 176.02 2qpf n PRO 43 N 1.60 2.13 0.00 -4.83 -0.02 -1.26 -1.34 135.00 131.28 2qpf n PRO 43 Ca -0.16 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2qpf n PRO 43 Cb 0.53 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 1.78 0.00 -3.46 6.00 7.35 -0.33 -4.76 117.46 124.05 2qpf n PHE 44 Ca 0.10 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.69 2qpf n PHE 44 Cb 0.33 0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.15 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 -1.98 -1.68 0.01 3.13 0.00 -1.04 -5.00 121.76 115.21 2qpf s ALA 45 Ca 0.00 0.67 -0.26 0.00 0.00 0.00 0.00 51.96 52.37 2qpf s ALA 45 Cb 0.00 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.90 2qpf s ALA 45 CO 0.00 -0.75 0.58 -1.54 0.00 0.00 0.00 175.76 174.06 2qpf s SER 46 N -2.66 -0.53 0.00 0.00 1.04 -1.26 0.33 113.70 110.62 2qpf s SER 46 Ca 0.03 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2qpf s SER 46 Cb -0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2qpf s SER 46 CO -0.11 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.03 2qpf n GLY 47 N 0.59 0.84 3.08 7.32 0.00 -0.52 -4.97 105.19 111.53 2qpf n GLY 47 Ca -0.19 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 2qpf n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qpf s LYS 48 N -1.43 0.69 0.35 1.61 2.20 -1.26 -0.23 119.74 121.67 2qpf s LYS 48 Ca 0.00 -0.64 -0.27 0.00 -0.36 0.00 0.00 55.97 54.70 2qpf s LYS 48 Cb 0.00 -0.62 -0.09 0.00 -1.51 0.00 0.00 37.83 35.61 2qpf s LYS 48 CO 0.00 0.15 1.18 0.95 -0.36 0.00 0.00 175.35 177.27 2qpf s THR 49 N -0.88 3.14 0.08 3.43 -4.23 -0.53 -4.73 115.64 111.93 2qpf s THR 49 Ca -0.02 1.06 -0.01 0.00 -1.18 0.00 0.00 61.69 61.53 2qpf s THR 49 Cb -0.07 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.15 2qpf s THR 49 CO 0.01 0.18 0.10 0.00 -0.54 0.00 0.00 174.62 174.37 2qpf n ALA 50 N 0.56 -0.10 0.16 3.99 0.00 -0.66 -1.49 120.51 122.96 2qpf n ALA 50 Ca 0.02 -0.14 0.15 0.00 0.00 0.00 0.00 53.44 53.46 2qpf n ALA 50 Cb 0.45 -0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.62 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 -0.49 114.58 116.55 2qpf h GLU 51 Ca -0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2qpf h GLU 51 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2qpf h GLU 51 CO 0.03 0.00 0.00 -1.13 -1.16 0.00 0.00 179.01 176.75 2qpf n SER 52 N -4.25 0.05 0.00 1.42 3.41 -1.26 -4.73 113.62 108.26 2qpf n SER 52 Ca 0.03 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 2qpf n SER 52 Cb 0.33 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.80 0.74 3.74 5.00 0.00 -0.19 -4.75 105.19 110.53 2qpf n GLY 53 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.14 2.81 -0.17 1.61 2.02 -1.26 -0.25 118.70 123.31 2qpf s GLU 54 Ca 0.00 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.30 2qpf s GLU 54 Cb 0.00 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.57 2qpf s GLU 54 CO 0.00 0.57 -0.15 -1.17 0.02 0.00 0.00 175.26 174.54 2qpf s LEU 55 N -2.22 2.00 0.23 1.80 2.96 0.19 -1.66 118.68 121.98 2qpf s LEU 55 Ca 0.27 -0.65 0.10 0.00 -0.22 0.00 0.00 54.13 53.63 2qpf s LEU 55 Cb -0.12 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 2qpf s LEU 55 CO 0.19 -0.07 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.03 2qpf s HIS 56 N 1.40 2.52 -0.07 5.38 3.76 -1.26 -2.47 115.29 124.56 2qpf s HIS 56 Ca 0.03 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 2qpf s HIS 56 Cb -0.14 -1.17 0.00 0.00 1.11 0.00 0.00 32.58 32.38 2qpf s HIS 56 CO -0.10 0.59 0.00 0.41 -0.85 0.00 0.00 174.74 174.79 2qpf n GLY 57 N -0.34 0.40 0.29 -2.22 0.00 -1.26 -4.94 105.19 97.11 2qpf n GLY 57 Ca -0.08 -1.00 -0.06 0.00 0.00 0.00 0.00 46.02 44.88 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 0.88 0.00 0.99 3.38 -1.88 -3.47 115.31 115.21 2qpf h LEU 58 Ca -0.01 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 2qpf h LEU 58 Cb 0.35 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2qpf h LEU 58 CO 0.02 0.72 0.01 1.07 0.09 0.00 0.00 178.44 180.36 2qpf n THR 59 N -4.49 0.00 -4.32 0.22 5.66 -1.26 -4.77 114.28 105.33 2qpf n THR 59 Ca 0.06 -0.76 -0.17 0.00 -3.05 0.00 0.00 64.05 60.13 2qpf n THR 59 Cb 0.09 0.55 -0.10 0.00 -1.55 0.00 0.00 70.33 69.32 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 1.33 0.31 1.09 -4.23 -1.26 -4.64 115.64 105.64 2qpf s THR 60 Ca 0.12 -2.10 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 2qpf s THR 60 Cb -0.01 -2.10 0.30 0.00 1.34 0.00 0.00 72.50 72.02 2qpf s THR 60 CO 0.09 -0.54 1.85 0.44 -0.54 0.00 0.00 174.62 175.92 2qpf h ASP 61 N 2.58 0.84 -0.34 3.99 5.19 -1.92 0.19 116.42 126.95 2qpf h ASP 61 Ca -0.38 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.05 2qpf h ASP 61 Cb 1.21 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 2qpf h ASP 61 CO 0.64 0.44 0.09 -0.33 -3.12 0.00 0.00 179.24 176.96 2qpf h GLU 62 N 0.89 0.53 0.00 3.56 3.07 -1.97 -3.14 114.58 117.52 2qpf h GLU 62 Ca 0.48 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 2qpf h GLU 62 Cb 0.56 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2qpf h GLU 62 CO -0.25 0.58 -0.07 0.87 -1.40 0.00 0.00 179.01 178.74 2qpf h LYS 63 N 0.39 0.00 -3.87 2.33 1.57 -1.84 -3.40 116.57 111.75 2qpf h LYS 63 Ca 0.11 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.13 2qpf h LYS 63 Cb 0.28 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.42 2qpf h LYS 63 CO -0.00 0.00 1.69 0.34 -0.57 0.00 0.00 179.45 180.91 2qpf n PHE 64 N -2.96 3.62 -2.19 -1.35 7.35 0.00 -4.93 117.46 117.01 2qpf n PHE 64 Ca 0.04 -2.99 -0.26 0.00 -0.76 0.00 0.00 57.45 53.48 2qpf n PHE 64 Cb 0.52 -1.98 0.08 0.00 0.35 0.00 0.00 39.48 38.45 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 0.52 2.24 0.22 -2.13 -7.23 -1.26 -4.92 120.40 107.83 2qpf s VAL 65 Ca 0.40 -0.26 -0.32 0.00 -1.81 0.00 0.00 61.98 59.99 2qpf s VAL 65 Cb 0.05 -2.98 -0.14 0.00 0.56 0.00 0.00 36.38 33.87 2qpf s VAL 65 CO 0.01 0.00 1.36 1.21 -0.31 0.00 0.00 175.10 177.37 2qpf n GLU 66 N -2.98 1.82 0.00 4.82 2.13 -1.26 -4.81 120.64 120.36 2qpf n GLU 66 Ca 0.09 0.65 0.00 0.00 0.66 0.00 0.00 57.16 58.56 2qpf n GLU 66 Cb 0.60 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 30.04 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 2.20 -0.43 3.69 8.31 0.00 -1.10 -5.02 105.19 112.85 2qpf n GLY 67 Ca 0.13 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 5.36 0.12 1.61 1.01 -1.26 -0.79 120.40 124.45 2qpf s VAL 68 Ca 0.00 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.34 2qpf s VAL 68 Cb 0.00 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 2qpf s VAL 68 CO 0.00 0.38 -0.23 -0.31 0.00 0.00 0.00 175.10 174.94 2qpf s TYR 69 N 0.77 2.42 -0.15 5.22 1.51 0.39 -0.78 117.35 126.72 2qpf s TYR 69 Ca 0.09 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.83 2qpf s TYR 69 Cb -0.13 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.44 2qpf s TYR 69 CO 0.02 0.35 -0.11 0.50 -1.11 0.00 0.00 175.55 175.19 2qpf s ARG 70 N -2.03 2.00 -0.26 -0.62 3.52 -0.16 -1.22 118.95 120.19 2qpf s ARG 70 Ca 0.16 -0.50 -0.08 0.00 -0.13 0.00 0.00 55.73 55.18 2qpf s ARG 70 Cb -0.10 -1.99 -0.03 0.00 -1.56 0.00 0.00 34.95 31.27 2qpf s ARG 70 CO 0.08 -0.28 0.09 0.08 -0.81 0.00 0.00 175.30 174.46 2qpf s VAL 71 N 1.55 4.50 -0.21 7.11 1.01 0.40 -0.24 120.40 134.52 2qpf s VAL 71 Ca 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 2qpf s VAL 71 Cb -0.13 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2qpf s VAL 71 CO -0.10 0.31 -0.10 -0.70 0.00 0.00 0.00 175.10 174.51 2qpf s GLU 72 N 1.64 3.10 -0.17 2.72 2.12 0.65 -0.46 118.70 128.31 2qpf s GLU 72 Ca 0.06 -0.79 -0.17 0.00 0.36 0.00 0.00 54.97 54.44 2qpf s GLU 72 Cb -0.15 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 2qpf s GLU 72 CO 0.05 -0.25 0.43 -0.51 -0.54 0.00 0.00 175.26 174.43 2qpf s LEU 73 N 1.37 4.21 -1.35 2.70 1.43 0.00 -1.50 118.68 125.54 2qpf s LEU 73 Ca 0.04 0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 53.61 2qpf s LEU 73 Cb -0.14 -2.58 0.06 0.00 0.03 0.00 0.00 46.19 43.55 2qpf s LEU 73 CO -0.07 -0.04 1.89 -0.67 0.23 0.00 0.00 176.35 177.69 2qpf n ASP 74 N 4.12 4.61 0.10 2.29 2.03 0.11 -1.78 116.55 128.03 2qpf n ASP 74 Ca -0.08 -2.90 -0.04 0.00 0.52 0.00 0.00 54.79 52.29 2qpf n ASP 74 Cb 0.51 -1.72 0.14 0.00 -0.72 0.00 0.00 41.12 39.34 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 5.07 1.39 0.08 5.18 1.35 -1.87 -3.00 112.91 121.11 2qpf h THR 75 Ca 0.49 -1.94 -0.00 0.00 -0.55 0.00 0.00 66.41 64.40 2qpf h THR 75 Cb 0.80 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2qpf h THR 75 CO 1.59 0.57 -0.04 0.50 -0.25 0.00 0.00 175.52 177.89 2qpf h LYS 76 N 0.15 -0.11 -0.27 4.72 3.64 -1.73 -1.99 116.57 120.98 2qpf h LYS 76 Ca -0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 2qpf h LYS 76 Cb 1.07 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2qpf h LYS 76 CO 0.09 -0.04 0.00 0.77 -2.27 0.00 0.00 179.45 178.00 2qpf h SER 77 N -0.14 0.37 0.32 4.20 0.02 -1.87 -1.85 113.55 114.59 2qpf h SER 77 Ca -0.01 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2qpf h SER 77 Cb 0.11 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2qpf h SER 77 CO 0.02 0.43 -0.15 0.22 -1.14 0.00 0.00 176.83 176.21 2qpf h TYR 78 N 0.39 -0.39 -0.55 3.45 3.20 -1.33 -1.49 116.97 120.25 2qpf h TYR 78 Ca 0.09 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.85 2qpf h TYR 78 Cb 0.26 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 2qpf h TYR 78 CO 0.01 -0.20 -0.05 -1.49 -1.64 0.00 0.00 178.16 174.79 2qpf h TRP 79 N -0.50 1.09 -0.23 -3.82 4.06 -1.27 -2.95 115.95 112.32 2qpf h TRP 79 Ca -0.04 -0.20 -0.07 0.00 2.06 0.00 0.00 58.89 60.64 2qpf h TRP 79 Cb 0.38 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 2qpf h TRP 79 CO -0.03 0.99 -0.15 0.87 -3.56 0.00 0.00 178.44 176.56 2qpf h LYS 80 N 0.90 0.39 -0.34 0.49 1.57 -1.04 0.40 116.57 118.94 2qpf h LYS 80 Ca 0.15 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2qpf h LYS 80 Cb 0.59 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 2qpf h LYS 80 CO 0.04 0.54 0.08 1.15 -0.57 0.00 0.00 179.45 180.69 2qpf h THR 81 N 0.36 1.16 -0.24 -0.16 2.02 -1.10 -1.88 112.91 113.07 2qpf h THR 81 Ca 0.07 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2qpf h THR 81 Cb 0.48 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2qpf h THR 81 CO 0.03 0.20 0.00 0.18 0.37 0.00 0.00 175.52 176.30 2qpf n LEU 82 N -4.35 1.33 -0.24 2.58 4.77 -0.78 -4.92 117.00 115.39 2qpf n LEU 82 Ca 0.02 -0.66 -0.03 0.00 -0.03 0.00 0.00 56.01 55.31 2qpf n LEU 82 Cb 0.18 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2qpf n LEU 82 CO 0.37 0.33 -0.03 0.61 -1.33 0.00 0.00 177.39 177.35 2qpf n GLY 83 N 0.90 0.44 3.24 -0.72 0.00 -0.71 -5.04 105.19 103.30 2qpf n GLY 83 Ca 0.09 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.11 2.11 -0.51 -0.61 1.01 0.06 -4.99 121.20 116.16 2qpf s ILE 84 Ca 0.00 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 59.40 2qpf s ILE 84 Cb 0.00 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.71 2qpf s ILE 84 CO 0.00 0.56 0.86 -0.44 0.00 0.00 0.00 174.94 175.92 2qpf s SER 85 N 0.20 6.35 0.57 3.58 0.01 -1.26 -2.52 113.70 120.63 2qpf s SER 85 Ca -0.14 -0.34 -0.00 0.00 1.31 0.00 0.00 55.95 56.77 2qpf s SER 85 Cb -0.17 -2.40 0.04 0.00 0.21 0.00 0.00 66.02 63.69 2qpf s SER 85 CO 0.07 -1.09 0.81 -2.16 0.41 0.00 0.00 173.24 171.29 2qpf s PRO 86 N 3.59 2.51 -0.11 12.44 0.04 -1.26 -4.99 135.00 147.22 2qpf s PRO 86 Ca 0.29 -0.67 -0.28 0.00 0.04 0.00 0.00 61.00 60.38 2qpf s PRO 86 Cb -0.13 -2.43 -0.24 0.00 0.04 0.00 0.00 34.50 31.73 2qpf s PRO 86 CO 0.20 -0.78 0.86 0.35 0.04 0.00 0.00 177.00 177.66 2qpf h PHE 87 N -0.03 -0.00 -3.74 0.56 3.57 -1.55 -3.47 116.94 112.28 2qpf h PHE 87 Ca -0.43 -0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.58 2qpf h PHE 87 Cb 1.30 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 2qpf h PHE 87 CO 0.37 0.85 0.14 -1.01 -2.23 0.00 0.00 178.31 176.44 2qpf s HIS 88 N -2.65 3.45 0.21 0.41 3.76 -1.26 -4.98 115.29 114.23 2qpf s HIS 88 Ca -0.18 1.34 -0.01 0.00 -0.15 0.00 0.00 55.06 56.06 2qpf s HIS 88 Cb -0.02 -2.61 0.18 0.00 1.11 0.00 0.00 32.58 31.23 2qpf s HIS 88 CO 0.67 0.14 1.55 0.93 -0.85 0.00 0.00 174.74 177.17 2qpf h GLU 89 N 2.55 0.50 -2.25 1.40 4.39 -1.98 -3.37 114.58 115.82 2qpf h GLU 89 Ca -0.48 -0.30 0.24 0.00 0.34 0.00 0.00 59.36 59.17 2qpf h GLU 89 Cb 1.18 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 29.80 2qpf h GLU 89 CO 0.65 0.89 0.71 -0.59 -1.16 0.00 0.00 179.01 179.50 2qpf s PHE 90 N -4.05 0.03 -0.21 4.33 -0.12 -1.26 -3.88 117.98 112.82 2qpf s PHE 90 Ca -0.07 -0.29 0.02 0.00 -0.05 0.00 0.00 56.93 56.54 2qpf s PHE 90 Cb 0.12 0.63 0.04 0.00 -0.63 0.00 0.00 43.02 43.18 2qpf s PHE 90 CO 0.83 -0.63 -0.13 0.00 -0.05 0.00 0.00 175.22 175.24 2qpf s ALA 91 N -2.25 2.25 0.01 1.99 0.00 -0.73 -4.89 121.76 118.13 2qpf s ALA 91 Ca 0.22 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.69 2qpf s ALA 91 Cb -0.01 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.70 2qpf s ALA 91 CO 0.02 -0.84 0.36 -0.51 0.00 0.00 0.00 175.76 174.79 2qpf s ASP 92 N 1.28 6.68 -0.16 0.00 1.11 -1.26 -0.82 116.67 123.50 2qpf s ASP 92 Ca -0.02 0.81 -0.00 0.00 0.18 0.00 0.00 52.55 53.52 2qpf s ASP 92 Cb -0.17 -2.19 0.04 0.00 1.07 0.00 0.00 42.92 41.67 2qpf s ASP 92 CO -0.08 0.28 -0.08 -0.69 1.18 0.00 0.00 175.17 175.77 2qpf s VAL 93 N -1.20 1.29 -0.09 -1.27 1.01 0.40 -4.97 120.40 115.57 2qpf s VAL 93 Ca 0.26 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2qpf s VAL 93 Cb -0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 2qpf s VAL 93 CO 0.14 0.24 -0.21 -0.69 0.00 0.00 0.00 175.10 174.58 2qpf s VAL 94 N 1.57 2.37 0.01 2.92 1.01 -1.26 -0.45 120.40 126.56 2qpf s VAL 94 Ca 0.02 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 2qpf s VAL 94 Cb -0.14 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.38 2qpf s VAL 94 CO -0.08 0.56 0.64 0.72 0.00 0.00 0.00 175.10 176.93 2qpf s PHE 95 N 0.16 -0.61 -0.02 5.22 -0.71 -0.36 -5.00 117.98 116.67 2qpf s PHE 95 Ca -0.12 0.88 -0.25 0.00 -1.04 0.00 0.00 56.93 56.40 2qpf s PHE 95 Cb -0.16 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.04 2qpf s PHE 95 CO 0.06 -0.67 0.76 0.99 -1.34 0.00 0.00 175.22 175.03 2qpf s THR 96 N -1.90 4.91 0.08 -4.49 2.01 -1.26 -0.46 115.64 114.52 2qpf s THR 96 Ca -0.08 1.60 0.08 0.00 0.31 0.00 0.00 61.69 63.60 2qpf s THR 96 Cb -0.00 -4.11 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2qpf s THR 96 CO 0.03 0.28 -0.20 0.00 -0.69 0.00 0.00 174.62 174.05 2qpf s ALA 97 N 0.53 2.58 -1.40 7.40 0.00 0.03 -4.78 121.76 126.11 2qpf s ALA 97 Ca 0.40 -1.29 -0.08 0.00 0.00 0.00 0.00 51.96 50.99 2qpf s ALA 97 Cb -0.19 -0.65 0.05 0.00 0.00 0.00 0.00 23.12 22.33 2qpf s ALA 97 CO 0.21 0.57 0.59 0.09 0.00 0.00 0.00 175.76 177.23 2qpf n ASN 98 N 1.23 -4.63 0.21 0.00 3.02 -1.26 -2.70 115.26 111.13 2qpf n ASN 98 Ca -0.16 -0.40 0.13 0.00 -0.03 0.00 0.00 54.58 54.11 2qpf n ASN 98 Cb 0.52 -3.77 0.24 0.00 -0.61 0.00 0.00 39.78 36.16 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 -1.25 0.00 -2.01 6.41 3.04 -1.92 -3.35 116.42 117.34 2qpf h ASP 99 Ca -0.48 0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 52.82 2qpf h ASP 99 Cb 1.32 0.00 -0.40 0.00 -1.04 0.00 0.00 39.33 39.21 2qpf h ASP 99 CO 0.56 0.00 -1.16 -1.54 -2.04 0.00 0.00 179.24 175.06 2qpf n SER 100 N -3.00 1.09 0.00 4.15 3.41 -1.26 -5.10 113.62 112.91 2qpf n SER 100 Ca 0.04 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.59 2qpf n SER 100 Cb 0.50 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.24 2.06 3.71 5.00 0.00 -1.26 -4.99 105.19 109.96 2qpf n GLY 101 Ca 0.25 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.75 3.32 0.29 1.61 3.76 -1.26 -4.35 115.29 115.91 2qpf s HIS 102 Ca 0.00 1.09 0.07 0.00 -0.15 0.00 0.00 55.06 56.07 2qpf s HIS 102 Cb 0.00 -3.58 -0.06 0.00 1.11 0.00 0.00 32.58 30.05 2qpf s HIS 102 CO 0.00 -1.94 -0.06 1.03 -0.85 0.00 0.00 174.74 172.92 2qpf s ARG 103 N 1.10 1.58 -0.18 1.40 1.81 -1.26 -5.06 118.95 118.33 2qpf s ARG 103 Ca 0.62 -1.80 -0.08 0.00 -1.72 0.00 0.00 55.73 52.75 2qpf s ARG 103 Cb -0.34 -1.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.92 2qpf s ARG 103 CO 0.30 0.04 0.08 -1.01 -0.68 0.00 0.00 175.30 174.03 2qpf s HIS 104 N -2.98 3.31 -0.07 -0.53 3.76 -1.26 -4.87 115.29 112.64 2qpf s HIS 104 Ca 0.30 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.42 2qpf s HIS 104 Cb 0.04 -2.10 -0.01 0.00 1.11 0.00 0.00 32.58 31.62 2qpf s HIS 104 CO 0.12 0.22 -0.20 0.71 -0.85 0.00 0.00 174.74 174.75 2qpf s TYR 105 N 0.30 2.59 -0.15 1.40 1.51 0.13 -1.36 117.35 121.78 2qpf s TYR 105 Ca 0.05 -0.59 0.01 0.00 -1.01 0.00 0.00 57.07 55.52 2qpf s TYR 105 Cb -0.12 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 2qpf s TYR 105 CO -0.00 -0.13 -0.17 0.99 -1.11 0.00 0.00 175.55 175.12 2qpf s THR 106 N -0.15 2.51 -0.40 -0.71 2.01 0.03 -1.17 115.64 117.76 2qpf s THR 106 Ca -0.03 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.03 2qpf s THR 106 Cb -0.14 -2.05 0.04 0.00 0.01 0.00 0.00 72.50 70.36 2qpf s THR 106 CO 0.04 0.52 0.27 -0.63 -0.69 0.00 0.00 174.62 174.12 2qpf s ILE 107 N 0.86 4.78 -0.01 1.82 -1.09 -0.40 -1.08 121.20 126.08 2qpf s ILE 107 Ca -0.05 -0.93 -0.02 0.00 -2.23 0.00 0.00 60.65 57.42 2qpf s ILE 107 Cb -0.15 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2qpf s ILE 107 CO -0.01 -0.35 0.16 0.00 -1.23 0.00 0.00 174.94 173.51 2qpf s ALA 108 N 1.58 3.88 -0.02 9.38 0.00 -0.16 -1.70 121.76 134.72 2qpf s ALA 108 Ca 0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.19 2qpf s ALA 108 Cb -0.20 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.09 2qpf s ALA 108 CO 0.07 0.73 0.06 0.00 0.00 0.00 0.00 175.76 176.62 2qpf s ALA 109 N -1.29 -0.14 -0.17 0.00 0.00 0.19 -1.18 121.76 119.17 2qpf s ALA 109 Ca 0.26 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.35 2qpf s ALA 109 Cb -0.12 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2qpf s ALA 109 CO 0.17 -0.04 -0.19 -1.17 0.00 0.00 0.00 175.76 174.54 2qpf s LEU 110 N -0.07 2.22 -0.13 0.00 2.96 0.17 -1.10 118.68 122.73 2qpf s LEU 110 Ca -0.01 -0.60 -0.03 0.00 -0.22 0.00 0.00 54.13 53.27 2qpf s LEU 110 Cb -0.01 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 2qpf s LEU 110 CO 0.00 0.02 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.26 2qpf s LEU 111 N 1.17 3.31 0.20 -0.68 1.43 0.06 -1.58 118.68 122.60 2qpf s LEU 111 Ca 0.02 -0.06 0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2qpf s LEU 111 Cb -0.14 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2qpf s LEU 111 CO -0.09 0.23 -0.09 -0.44 0.23 0.00 0.00 176.35 176.19 2qpf s SER 112 N -0.00 2.18 0.31 2.29 0.01 0.23 -0.85 113.70 117.87 2qpf s SER 112 Ca 0.01 -1.07 0.07 0.00 1.31 0.00 0.00 55.95 56.27 2qpf s SER 112 Cb -0.13 -0.07 0.79 0.00 0.21 0.00 0.00 66.02 66.82 2qpf s SER 112 CO 0.03 -0.31 1.75 -0.65 0.41 0.00 0.00 173.24 174.47 2qpf h PRO 113 N 2.59 0.63 -0.17 12.44 0.11 -1.99 -2.86 132.00 142.76 2qpf h PRO 113 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2qpf h PRO 113 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qpf h PRO 113 CO 0.64 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.50 2qpf n TYR 114 N -4.85 0.31 -3.67 0.65 4.02 -1.26 -1.27 117.16 111.09 2qpf n TYR 114 Ca 0.25 -0.62 -0.15 0.00 -0.01 0.00 0.00 57.90 57.37 2qpf n TYR 114 Cb 0.65 -0.09 -0.08 0.00 -0.02 0.00 0.00 39.34 39.80 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 -1.38 -0.46 0.03 7.72 0.15 -1.08 -4.97 113.70 113.71 2qpf s SER 115 Ca 0.19 0.64 -0.08 0.00 0.70 0.00 0.00 55.95 57.39 2qpf s SER 115 Cb 0.13 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 2qpf s SER 115 CO 0.07 -0.39 0.16 -0.72 1.20 0.00 0.00 173.24 173.56 2qpf s TYR 116 N -0.68 0.08 0.04 3.44 -0.85 -1.26 -0.60 117.35 117.53 2qpf s TYR 116 Ca -0.08 -0.29 0.09 0.00 -0.52 0.00 0.00 57.07 56.28 2qpf s TYR 116 Cb -0.03 -0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.22 2qpf s TYR 116 CO 0.05 -0.38 -0.26 0.45 -1.52 0.00 0.00 175.55 173.88 2qpf s SER 117 N -1.94 3.15 -0.01 -0.18 0.15 -0.61 -4.97 113.70 109.29 2qpf s SER 117 Ca -0.07 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2qpf s SER 117 Cb -0.02 -0.29 0.01 0.00 -1.71 0.00 0.00 66.02 64.01 2qpf s SER 117 CO -0.03 0.26 0.00 0.28 1.20 0.00 0.00 173.24 174.95 2qpf s THR 118 N -0.80 0.05 0.05 6.45 -1.32 -1.26 -0.66 115.64 118.15 2qpf s THR 118 Ca 0.12 0.04 0.05 0.00 -1.21 0.00 0.00 61.69 60.69 2qpf s THR 118 Cb -0.10 -0.10 -0.02 0.00 -1.51 0.00 0.00 72.50 70.77 2qpf s THR 118 CO 0.02 0.05 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.44 2qpf s THR 119 N 0.38 1.20 -0.17 5.08 2.01 -0.32 -5.00 115.64 118.82 2qpf s THR 119 Ca -0.03 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 2qpf s THR 119 Cb -0.05 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 2qpf s THR 119 CO -0.01 -0.02 -0.03 0.00 -0.69 0.00 0.00 174.62 173.88 2qpf s ALA 120 N -0.93 3.00 -0.23 7.40 0.00 -1.26 -0.99 121.76 128.75 2qpf s ALA 120 Ca 0.02 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 2qpf s ALA 120 Cb -0.08 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 2qpf s ALA 120 CO 0.02 0.07 0.05 0.08 0.00 0.00 0.00 175.76 175.98 2qpf s VAL 121 N 0.61 4.25 -0.13 0.00 1.01 -0.24 -4.98 120.40 120.92 2qpf s VAL 121 Ca -0.02 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2qpf s VAL 121 Cb -0.14 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.29 2qpf s VAL 121 CO 0.02 0.37 -0.17 -0.69 0.00 0.00 0.00 175.10 174.64 2qpf s VAL 122 N 1.37 1.65 0.00 2.92 1.01 -1.26 -0.79 120.40 125.30 2qpf s VAL 122 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2qpf s VAL 122 Cb -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.73 2qpf s VAL 122 CO 0.03 0.47 0.16 -1.54 0.00 0.00 0.00 175.10 174.22