#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfk s VAL 2 N 0.00 3.92 -0.02 2.62 1.01 -1.26 -3.95 120.40 122.71 3cfk s VAL 2 Ca 0.00 1.54 0.04 0.00 0.00 0.00 0.00 61.98 63.56 3cfk s VAL 2 Cb 0.00 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 3cfk s VAL 2 CO 0.00 0.21 -0.13 -0.54 0.00 0.00 0.00 175.10 174.64 3cfk s LYS 3 N 0.13 1.24 -0.42 2.72 1.02 -0.53 -4.99 119.74 118.92 3cfk s LYS 3 Ca 0.53 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 56.08 3cfk s LYS 3 Cb -0.30 -1.15 0.14 0.00 -0.52 0.00 0.00 37.83 36.01 3cfk s LYS 3 CO 0.33 0.22 0.25 -0.51 -0.92 0.00 0.00 175.35 174.72 3cfk s LEU 4 N -0.05 2.16 -0.46 3.17 1.43 -1.26 -1.90 118.68 121.77 3cfk s LEU 4 Ca -0.00 -2.58 -0.22 0.00 -1.03 0.00 0.00 54.13 50.30 3cfk s LEU 4 Cb -0.08 -0.82 0.03 0.00 0.03 0.00 0.00 46.19 45.35 3cfk s LEU 4 CO 0.01 -0.26 0.72 -0.76 0.23 0.00 0.00 176.35 176.28 3cfk s LEU 5 N 0.47 4.41 0.46 1.79 1.43 -0.54 -4.12 118.68 122.58 3cfk s LEU 5 Ca 0.19 -0.29 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 3cfk s LEU 5 Cb -0.21 -2.81 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 3cfk s LEU 5 CO -0.02 -0.88 0.89 -1.61 0.23 0.00 0.00 176.35 174.97 3cfk s GLU 6 N 3.08 3.91 0.29 1.70 8.01 -1.26 -1.64 118.70 132.79 3cfk s GLU 6 Ca 0.25 0.78 -0.19 0.00 0.01 0.00 0.00 54.97 55.82 3cfk s GLU 6 Cb -0.14 -2.25 0.02 0.00 -4.31 0.00 0.00 34.13 27.46 3cfk s GLU 6 CO 0.20 -0.14 0.70 -1.54 0.01 0.00 0.00 175.26 174.49 3cfk s SER 7 N -2.98 -0.20 0.00 -0.19 1.04 0.04 -4.86 113.70 106.56 3cfk s SER 7 Ca 0.56 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.27 3cfk s SER 7 Cb -0.10 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3cfk s SER 7 CO 0.29 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.75 3cfk n GLY 8 N -0.46 0.73 3.14 7.32 0.00 -1.26 -1.02 105.19 113.64 3cfk n GLY 8 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3cfk n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 9 N -1.03 -1.80 0.00 -0.02 0.00 -1.26 -4.70 105.19 96.38 3cfk n GLY 9 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.38 3cfk n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 10 N -2.62 0.83 3.71 -0.02 0.00 0.31 -4.96 105.19 102.45 3cfk n GLY 10 Ca 0.14 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 3cfk n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cfk s LEU 11 N 0.00 4.37 0.07 0.99 2.96 -1.26 -1.37 118.68 124.44 3cfk s LEU 11 Ca 0.00 1.62 0.05 0.00 -0.22 0.00 0.00 54.13 55.58 3cfk s LEU 11 Cb 0.00 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 3cfk s LEU 11 CO 0.00 -0.24 -0.14 0.00 -1.32 0.00 0.00 176.35 174.65 3cfk s ALA 12 N 0.94 1.18 0.28 5.97 0.00 0.06 -4.96 121.76 125.24 3cfk s ALA 12 Ca 0.50 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 3cfk s ALA 12 Cb -0.21 -0.11 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 3cfk s ALA 12 CO 0.27 0.18 0.71 -0.65 0.00 0.00 0.00 175.76 176.27 3cfk s GLN 13 N -1.65 4.05 0.29 0.00 -0.21 -1.26 -1.19 119.66 119.68 3cfk s GLN 13 Ca -0.01 0.68 -0.30 0.00 0.02 0.00 0.00 55.36 55.75 3cfk s GLN 13 Cb -0.10 -2.58 -0.13 0.00 1.00 0.00 0.00 33.01 31.21 3cfk s GLN 13 CO 0.02 0.24 1.41 -2.30 -2.12 0.00 0.00 175.29 172.54 3cfk n PRO 14 N -0.03 2.23 0.00 2.91 -0.02 -1.26 -1.57 135.00 137.26 3cfk n PRO 14 Ca 0.01 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3cfk n PRO 14 Cb 0.52 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 3cfk n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 15 N 1.62 2.92 3.82 -1.23 0.00 0.84 -4.89 105.19 108.28 3cfk n GLY 15 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3cfk n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfk s GLY 16 N -1.65 1.60 0.39 -0.02 0.00 -0.61 -3.67 107.32 103.37 3cfk s GLY 16 Ca 0.00 -0.66 0.08 0.00 0.00 0.00 0.00 44.72 44.13 3cfk s GLY 16 CO 0.00 -0.08 0.15 -1.35 0.00 0.00 0.00 173.10 171.82 3cfk s SER 17 N -4.27 4.42 -0.22 1.64 1.04 -1.26 -2.45 113.70 112.60 3cfk s SER 17 Ca 0.65 -1.03 -0.26 0.00 0.48 0.00 0.00 55.95 55.78 3cfk s SER 17 Cb -0.12 -0.52 0.07 0.00 0.10 0.00 0.00 66.02 65.56 3cfk s SER 17 CO 0.52 -0.47 0.74 -0.22 0.98 0.00 0.00 173.24 174.79 3cfk s LEU 18 N -3.87 -0.70 -0.24 2.42 2.96 0.21 -4.98 118.68 114.47 3cfk s LEU 18 Ca 0.40 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.56 3cfk s LEU 18 Cb 0.03 2.43 0.05 0.00 0.50 0.00 0.00 46.19 49.20 3cfk s LEU 18 CO 0.22 -0.33 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.05 3cfk s LYS 19 N -0.01 2.42 0.29 1.98 2.20 -1.26 0.08 119.74 125.44 3cfk s LYS 19 Ca -0.02 -1.22 -0.08 0.00 -0.36 0.00 0.00 55.97 54.28 3cfk s LYS 19 Cb -0.04 -2.83 -0.06 0.00 -1.51 0.00 0.00 37.83 33.39 3cfk s LYS 19 CO 0.03 -0.49 0.60 -0.51 -0.36 0.00 0.00 175.35 174.62 3cfk s LEU 20 N 1.15 4.06 0.12 5.43 1.43 0.14 -4.62 118.68 126.39 3cfk s LEU 20 Ca -0.06 0.90 -0.04 0.00 -1.03 0.00 0.00 54.13 53.90 3cfk s LEU 20 Cb -0.18 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 3cfk s LEU 20 CO -0.07 -0.19 0.13 -0.94 0.23 0.00 0.00 176.35 175.52 3cfk s SER 21 N -2.81 0.23 -0.21 2.29 1.04 -0.19 -1.45 113.70 112.61 3cfk s SER 21 Ca 0.47 -1.01 -0.08 0.00 0.48 0.00 0.00 55.95 55.81 3cfk s SER 21 Cb -0.11 0.33 0.09 0.00 0.10 0.00 0.00 66.02 66.43 3cfk s SER 21 CO 0.26 -0.76 0.44 0.00 0.98 0.00 0.00 173.24 174.16 3cfk s ALA 23 N 2.53 3.32 0.04 0.00 0.00 -0.65 -0.96 121.76 126.03 3cfk s ALA 23 Ca -0.03 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.23 3cfk s ALA 23 Cb -0.12 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 3cfk s ALA 23 CO -0.13 0.42 -0.21 0.00 0.00 0.00 0.00 175.76 175.83 3cfk s ALA 24 N -0.34 2.48 0.19 0.00 0.00 0.08 -1.46 121.76 122.71 3cfk s ALA 24 Ca 0.07 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 50.71 3cfk s ALA 24 Cb -0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 3cfk s ALA 24 CO 0.02 0.56 0.33 -1.54 0.00 0.00 0.00 175.76 175.13 3cfk s SER 25 N -1.38 -0.00 0.00 0.00 1.04 -0.80 -4.83 113.70 107.73 3cfk s SER 25 Ca 0.14 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3cfk s SER 25 Cb -0.10 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3cfk s SER 25 CO 0.04 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3cfk n GLY 26 N -0.26 0.76 3.57 7.32 0.00 -1.25 -1.46 105.19 113.87 3cfk n GLY 26 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 3cfk n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cfk s PHE 27 N -2.74 -0.15 -1.29 1.61 -0.71 -1.26 -4.52 117.98 108.92 3cfk s PHE 27 Ca 0.00 -0.20 -0.18 0.00 -1.04 0.00 0.00 56.93 55.50 3cfk s PHE 27 Cb 0.00 0.45 0.05 0.00 -1.21 0.00 0.00 43.02 42.31 3cfk s PHE 27 CO 0.00 -0.97 1.81 -3.47 -1.34 0.00 0.00 175.22 171.24 3cfk n ASP 28 N -0.37 4.60 -0.32 1.98 2.03 -1.26 -4.81 116.55 118.40 3cfk n ASP 28 Ca -0.09 -2.88 0.18 0.00 0.52 0.00 0.00 54.79 52.51 3cfk n ASP 28 Cb 0.62 -1.73 0.38 0.00 -0.72 0.00 0.00 41.12 39.67 3cfk n ASP 28 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3cfk h PHE 29 N 7.70 0.77 -1.28 -0.67 3.57 -1.95 -0.71 116.94 124.37 3cfk h PHE 29 Ca 0.43 0.04 0.37 0.00 3.53 0.00 0.00 57.97 62.34 3cfk h PHE 29 Cb 0.86 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 3cfk h PHE 29 CO 1.40 -0.10 0.90 0.00 -2.23 0.00 0.00 178.31 178.28 3cfk h ARG 30 N 0.37 0.05 0.00 1.11 3.08 -1.87 -2.38 114.38 114.74 3cfk h ARG 30 Ca 0.64 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.69 3cfk h ARG 30 Cb 1.33 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3cfk h ARG 30 CO -0.57 0.03 -0.83 0.54 -1.07 0.00 0.00 179.97 178.07 3cfk n ARG 31 N -4.22 0.13 -4.34 0.04 1.74 -0.27 -4.66 116.66 105.07 3cfk n ARG 31 Ca 0.28 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.02 3cfk n ARG 31 Cb 1.31 -1.54 -0.09 0.00 -1.02 0.00 0.00 32.46 31.12 3cfk n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3cfk s TYR 32 N -3.09 3.14 0.46 -1.55 1.51 -0.90 -4.81 117.35 112.11 3cfk s TYR 32 Ca 0.07 0.16 -0.23 0.00 -1.01 0.00 0.00 57.07 56.06 3cfk s TYR 32 Cb 0.16 -1.75 -0.07 0.00 -0.11 0.00 0.00 41.96 40.18 3cfk s TYR 32 CO 0.78 0.47 1.18 -1.58 -1.11 0.00 0.00 175.55 175.29 3cfk s TRP 33 N -0.95 2.85 0.10 2.71 0.52 -1.25 -4.14 118.94 118.77 3cfk s TRP 33 Ca 0.15 1.52 0.08 0.00 0.02 0.00 0.00 56.10 57.88 3cfk s TRP 33 Cb -0.11 -3.42 -0.03 0.00 -1.15 0.00 0.00 33.47 28.76 3cfk s TRP 33 CO 0.05 -1.60 -0.20 -1.64 0.02 0.00 0.00 176.95 173.58 3cfk s MET 34 N -2.67 1.09 0.05 4.98 -1.94 -0.09 -1.95 119.30 118.77 3cfk s MET 34 Ca 0.63 -1.15 0.02 0.00 -1.71 0.00 0.00 55.69 53.49 3cfk s MET 34 Cb -0.30 -1.33 -0.03 0.00 2.01 0.00 0.00 34.83 35.19 3cfk s MET 34 CO 0.36 0.31 -0.08 0.99 -0.01 0.00 0.00 175.02 176.59 3cfk s THR 35 N -1.19 0.56 -0.09 2.05 2.01 0.35 -0.64 115.64 118.69 3cfk s THR 35 Ca 0.06 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 60.93 3cfk s THR 35 Cb -0.10 -0.69 -0.02 0.00 0.01 0.00 0.00 72.50 71.70 3cfk s THR 35 CO 0.04 -0.41 -0.11 0.26 -0.69 0.00 0.00 174.62 173.72 3cfk s TRP 36 N -1.52 2.84 0.05 4.92 0.52 -0.47 -1.01 118.94 124.27 3cfk s TRP 36 Ca -0.08 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 55.82 3cfk s TRP 36 Cb -0.09 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.45 3cfk s TRP 36 CO 0.00 0.10 -0.10 0.08 0.02 0.00 0.00 176.95 177.05 3cfk s VAL 37 N -0.34 0.77 0.09 4.03 1.01 -0.19 -1.63 120.40 124.14 3cfk s VAL 37 Ca 0.04 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.86 3cfk s VAL 37 Cb -0.13 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3cfk s VAL 37 CO 0.02 -0.33 -0.08 0.00 0.00 0.00 0.00 175.10 174.72 3cfk s ARG 38 N -1.67 0.80 -0.21 2.72 1.70 -0.56 0.11 118.95 121.84 3cfk s ARG 38 Ca -0.07 -1.22 -0.05 0.00 -0.47 0.00 0.00 55.73 53.93 3cfk s ARG 38 Cb -0.10 -0.30 0.07 0.00 -0.57 0.00 0.00 34.95 34.05 3cfk s ARG 38 CO 0.01 0.02 0.11 -1.14 -1.08 0.00 0.00 175.30 173.22 3cfk s GLN 39 N -3.28 0.11 0.76 3.89 0.74 0.13 -0.80 119.66 121.21 3cfk s GLN 39 Ca 0.07 -0.21 -0.13 0.00 0.05 0.00 0.00 55.36 55.15 3cfk s GLN 39 Cb 0.01 -1.59 0.06 0.00 1.10 0.00 0.00 33.01 32.59 3cfk s GLN 39 CO -0.03 -0.78 1.14 0.00 -0.55 0.00 0.00 175.29 175.07 3cfk s ALA 40 N 2.14 2.11 0.10 1.58 0.00 -1.26 -1.59 121.76 124.83 3cfk s ALA 40 Ca 0.04 0.58 -0.33 0.00 0.00 0.00 0.00 51.96 52.25 3cfk s ALA 40 Cb -0.16 -3.38 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 3cfk s ALA 40 CO -0.18 -1.88 1.76 -2.30 0.00 0.00 0.00 175.76 173.16 3cfk n PRO 41 N -3.16 2.46 -1.33 0.00 -0.02 -1.26 -1.71 135.00 129.97 3cfk n PRO 41 Ca 0.11 0.89 -0.11 0.00 -2.02 0.00 0.00 63.50 62.37 3cfk n PRO 41 Cb 0.52 -2.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.21 3cfk n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfk n GLY 42 N 3.99 1.22 3.30 -1.23 0.00 -1.26 -4.99 105.19 106.22 3cfk n GLY 42 Ca 0.19 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3cfk n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cfk n LYS 43 N -2.11 0.71 -1.64 1.61 5.02 -0.70 -5.16 118.16 115.90 3cfk n LYS 43 Ca -0.11 -3.38 -0.19 0.00 -2.02 0.00 0.00 58.31 52.60 3cfk n LYS 43 Cb 0.45 1.40 0.12 0.00 -0.02 0.00 0.00 35.03 36.97 3cfk n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cfk n GLY 44 N -0.68 -0.58 3.82 0.72 0.00 -1.26 -4.69 105.19 102.52 3cfk n GLY 44 Ca -0.12 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 3cfk n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfk s LEU 45 N 0.00 4.11 -0.15 0.99 1.43 -1.26 -4.19 118.68 119.61 3cfk s LEU 45 Ca 0.52 1.53 -0.03 0.00 -1.03 0.00 0.00 54.13 55.12 3cfk s LEU 45 Cb -0.02 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.11 3cfk s LEU 45 CO 0.36 -0.19 0.04 -0.70 0.23 0.00 0.00 176.35 176.08 3cfk s GLU 46 N -2.73 0.48 0.11 1.70 2.12 0.02 -4.99 118.70 115.41 3cfk s GLU 46 Ca 0.54 -0.16 -0.31 0.00 0.36 0.00 0.00 54.97 55.41 3cfk s GLU 46 Cb -0.12 -1.64 -0.09 0.00 0.26 0.00 0.00 34.13 32.54 3cfk s GLU 46 CO 0.18 -0.53 1.55 -0.46 -0.54 0.00 0.00 175.26 175.45 3cfk s TRP 47 N 1.97 2.86 -0.21 5.30 -0.00 -1.26 -1.50 118.94 126.10 3cfk s TRP 47 Ca 0.02 0.60 -0.16 0.00 -0.00 0.00 0.00 56.10 56.56 3cfk s TRP 47 Cb -0.15 -3.87 -0.11 0.00 -0.00 0.00 0.00 33.47 29.34 3cfk s TRP 47 CO -0.07 -3.29 -0.15 -0.89 -0.00 0.00 0.00 176.95 172.54 3cfk n ILE 48 N 4.28 1.50 -0.39 5.86 5.41 -0.65 -4.60 119.36 130.77 3cfk n ILE 48 Ca 0.14 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.85 3cfk n ILE 48 Cb 0.40 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 3cfk n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cfk n GLY 49 N 1.43 -1.29 3.15 7.39 0.00 -1.20 -0.94 105.19 113.72 3cfk n GLY 49 Ca -0.29 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 3cfk n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cfk s GLU 50 N -1.78 0.58 -0.00 1.61 -1.05 -0.27 -1.37 118.70 116.42 3cfk s GLU 50 Ca 0.00 -0.46 0.03 0.00 -0.15 0.00 0.00 54.97 54.39 3cfk s GLU 50 Cb 0.00 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 3cfk s GLU 50 CO 0.00 -0.15 -0.10 -1.50 0.95 0.00 0.00 175.26 174.46 3cfk s ILE 51 N -1.79 0.78 0.67 1.83 2.07 0.19 -1.68 121.20 123.28 3cfk s ILE 51 Ca -0.11 -0.47 -0.07 0.00 -1.41 0.00 0.00 60.65 58.59 3cfk s ILE 51 Cb -0.05 -0.67 0.04 0.00 0.13 0.00 0.00 42.46 41.92 3cfk s ILE 51 CO 0.00 0.19 0.99 0.54 -1.91 0.00 0.00 174.94 174.75 3cfk s ASN 52 N -0.32 5.07 0.24 4.50 4.22 -0.47 -0.91 114.94 127.28 3cfk s ASN 52 Ca 0.03 0.59 -0.07 0.00 -2.14 0.00 0.00 52.86 51.27 3cfk s ASN 52 Cb -0.04 -1.34 0.42 0.00 1.28 0.00 0.00 41.25 41.57 3cfk s ASN 52 CO -0.00 -1.44 1.65 -0.65 -2.04 0.00 0.00 177.10 174.62 3cfk h PRO 52 N -0.50 0.13 -0.60 3.55 0.11 -1.83 -2.36 132.00 130.49 3cfk h PRO 52 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cfk h PRO 52 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3cfk h PRO 52 CO 0.61 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3cfk n ASP 53 N -5.30 3.49 -2.31 -2.05 5.68 -1.26 -4.92 116.55 109.87 3cfk n ASP 53 Ca 0.13 -2.28 -0.20 0.00 -0.50 0.00 0.00 54.79 51.94 3cfk n ASP 53 Cb 0.45 -0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 3cfk n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfk n SER 54 N 0.80 -5.74 -0.03 -1.12 7.64 -0.89 -4.86 113.62 109.42 3cfk n SER 54 Ca 0.19 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.04 3cfk n SER 54 Cb 0.65 -4.75 -0.10 0.00 -1.01 0.00 0.00 64.21 59.00 3cfk n SER 54 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cfk n ARG 55 N -2.96 1.25 -3.85 1.43 1.74 -1.26 -4.80 116.66 108.20 3cfk n ARG 55 Ca -0.23 -0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.43 3cfk n ARG 55 Cb 0.68 -1.30 -0.13 0.00 -1.02 0.00 0.00 32.46 30.68 3cfk n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cfk s THR 56 N -2.58 3.36 -0.29 0.55 2.01 -1.26 -5.05 115.64 112.38 3cfk s THR 56 Ca -0.05 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 60.86 3cfk s THR 56 Cb 0.06 -2.83 0.08 0.00 0.01 0.00 0.00 72.50 69.82 3cfk s THR 56 CO 0.51 -0.02 0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 3cfk s ILE 57 N 1.36 1.51 -0.07 1.82 1.01 -1.26 -1.37 121.20 124.20 3cfk s ILE 57 Ca -0.02 -1.58 -0.07 0.00 0.00 0.00 0.00 60.65 58.98 3cfk s ILE 57 Cb -0.18 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3cfk s ILE 57 CO -0.00 -0.43 0.20 0.20 0.00 0.00 0.00 174.94 174.91 3cfk s ASN 58 N 1.34 6.45 0.19 3.58 0.01 -0.68 -4.96 114.94 120.87 3cfk s ASN 58 Ca 0.04 0.52 0.08 0.00 -0.71 0.00 0.00 52.86 52.79 3cfk s ASN 58 Cb -0.18 -2.08 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 3cfk s ASN 58 CO -0.13 0.35 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.34 3cfk s TYR 59 N -1.13 1.77 -0.04 2.20 2.02 -1.26 -1.11 117.35 119.80 3cfk s TYR 59 Ca 0.20 -0.52 -0.30 0.00 -0.37 0.00 0.00 57.07 56.08 3cfk s TYR 59 Cb -0.13 -0.84 -0.06 0.00 -0.40 0.00 0.00 41.96 40.53 3cfk s TYR 59 CO 0.10 0.37 1.62 1.41 -1.57 0.00 0.00 175.55 177.47 3cfk s MET 60 N -3.31 4.19 0.01 -0.62 -2.45 -0.12 -4.93 119.30 112.08 3cfk s MET 60 Ca 0.20 2.17 -0.24 0.00 -1.25 0.00 0.00 55.69 56.57 3cfk s MET 60 Cb -0.03 -3.90 -0.17 0.00 1.25 0.00 0.00 34.83 31.98 3cfk s MET 60 CO 0.07 -0.81 1.38 -1.00 1.05 0.00 0.00 175.02 175.72 3cfk h PRO 61 N 9.21 0.09 0.00 4.11 0.13 -1.96 -3.03 132.00 140.54 3cfk h PRO 61 Ca -0.39 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3cfk h PRO 61 Cb 1.18 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3cfk h PRO 61 CO 0.95 0.45 0.01 0.43 -0.23 0.00 0.00 178.00 179.61 3cfk n SER 62 N -4.84 0.00 -3.07 1.44 7.64 -1.26 -2.35 113.62 111.19 3cfk n SER 62 Ca -0.07 0.06 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 3cfk n SER 62 Cb 0.22 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 3cfk n SER 62 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3cfk s LEU 63 N -1.96 -0.64 0.52 -3.43 1.43 -1.15 -5.15 118.68 108.31 3cfk s LEU 63 Ca 0.00 -1.83 0.02 0.00 -1.03 0.00 0.00 54.13 51.29 3cfk s LEU 63 Cb 0.00 1.20 0.00 0.00 0.03 0.00 0.00 46.19 47.42 3cfk s LEU 63 CO 0.00 -0.13 0.11 -0.75 0.23 0.00 0.00 176.35 175.81 3cfk s LYS 64 N 0.96 2.22 -1.40 1.70 2.20 -0.99 -4.60 119.74 119.82 3cfk s LYS 64 Ca 0.26 -2.30 -0.08 0.00 -0.36 0.00 0.00 55.97 53.48 3cfk s LYS 64 Cb -0.03 -1.68 0.01 0.00 -1.51 0.00 0.00 37.83 34.62 3cfk s LYS 64 CO -0.08 -0.44 1.09 -0.25 -0.36 0.00 0.00 175.35 175.31 3cfk n ASP 65 N -1.41 -6.33 0.04 1.43 8.00 -1.26 -4.75 116.55 112.28 3cfk n ASP 65 Ca -0.15 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.85 3cfk n ASP 65 Cb 0.66 -5.00 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 3cfk n ASP 65 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3cfk n LYS 66 N -4.85 0.00 -3.73 -1.24 4.81 -1.26 -5.01 118.16 106.87 3cfk n LYS 66 Ca -0.01 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.08 3cfk n LYS 66 Cb 0.57 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.54 3cfk n LYS 66 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3cfk s PHE 67 N -2.00 3.40 -0.18 5.64 0.08 -1.26 -2.06 117.98 121.60 3cfk s PHE 67 Ca 0.00 0.32 -0.01 0.00 0.12 0.00 0.00 56.93 57.36 3cfk s PHE 67 Cb 0.00 -2.17 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 3cfk s PHE 67 CO 0.00 0.27 -0.14 0.42 -0.10 0.00 0.00 175.22 175.67 3cfk s ILE 68 N 0.41 2.62 -0.17 0.64 1.01 -0.54 -4.96 121.20 120.21 3cfk s ILE 68 Ca 0.08 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 59.88 3cfk s ILE 68 Cb -0.11 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 3cfk s ILE 68 CO -0.02 0.50 0.13 -0.63 0.00 0.00 0.00 174.94 174.92 3cfk s ILE 69 N 1.18 5.40 0.25 2.92 1.01 -1.26 -0.10 121.20 130.59 3cfk s ILE 69 Ca 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.83 3cfk s ILE 69 Cb -0.14 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 3cfk s ILE 69 CO -0.06 0.51 0.26 -0.94 0.00 0.00 0.00 174.94 174.71 3cfk s SER 70 N -0.15 0.45 0.05 3.58 1.04 -0.90 -5.01 113.70 112.75 3cfk s SER 70 Ca 0.10 -1.38 -0.10 0.00 0.48 0.00 0.00 55.95 55.06 3cfk s SER 70 Cb -0.11 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3cfk s SER 70 CO 0.00 -0.99 0.21 0.00 0.98 0.00 0.00 173.24 173.45 3cfk s ARG 71 N -3.89 0.73 -0.35 4.02 1.70 -1.26 -0.01 118.95 119.89 3cfk s ARG 71 Ca 0.35 -0.65 0.01 0.00 -0.47 0.00 0.00 55.73 54.97 3cfk s ARG 71 Cb 0.04 0.30 0.11 0.00 -0.57 0.00 0.00 34.95 34.83 3cfk s ARG 71 CO 0.15 -0.22 0.14 0.34 -1.08 0.00 0.00 175.30 174.63 3cfk s ASP 72 N -2.18 4.01 0.53 -2.89 -1.08 0.28 -4.99 116.67 110.35 3cfk s ASP 72 Ca -0.04 -2.02 0.27 0.00 -0.52 0.00 0.00 52.55 50.25 3cfk s ASP 72 Cb -0.00 -1.02 1.51 0.00 -1.46 0.00 0.00 42.92 41.95 3cfk s ASP 72 CO -0.05 -0.36 2.11 0.78 0.52 0.00 0.00 175.17 178.17 3cfk h ASN 73 N 7.60 0.00 0.84 -0.34 2.35 -1.92 -1.32 115.58 122.78 3cfk h ASN 73 Ca -0.08 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.60 3cfk h ASN 73 Cb 0.99 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3cfk h ASN 73 CO 0.48 0.10 -0.29 0.00 -1.65 0.00 0.00 177.43 176.07 3cfk h ALA 74 N 1.90 1.04 -0.50 -0.83 0.00 -1.95 -2.95 119.26 115.98 3cfk h ALA 74 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3cfk h ALA 74 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3cfk h ALA 74 CO 0.01 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.26 3cfk n LYS 75 N -3.49 2.98 -4.29 0.00 5.02 -0.55 -4.98 118.16 112.85 3cfk n LYS 75 Ca -0.00 -2.44 -0.32 0.00 -2.02 0.00 0.00 58.31 53.53 3cfk n LYS 75 Cb 0.45 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.87 3cfk n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cfk n ASN 76 N 0.84 0.34 -4.10 4.39 3.02 -0.90 -4.72 115.26 114.13 3cfk n ASN 76 Ca 0.18 -1.23 -0.19 0.00 -0.03 0.00 0.00 54.58 53.31 3cfk n ASN 76 Cb 0.60 -1.82 -0.13 0.00 -0.61 0.00 0.00 39.78 37.81 3cfk n ASN 76 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3cfk s SER 77 N -4.22 1.41 0.04 6.41 0.01 -0.98 -0.74 113.70 115.64 3cfk s SER 77 Ca 0.12 -0.39 0.08 0.00 1.31 0.00 0.00 55.95 57.08 3cfk s SER 77 Cb -0.07 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 66.04 3cfk s SER 77 CO 0.99 0.03 -0.23 -0.22 0.41 0.00 0.00 173.24 174.21 3cfk s LEU 78 N -0.94 2.34 0.06 2.44 2.96 -0.14 -0.56 118.68 124.85 3cfk s LEU 78 Ca 0.01 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 53.44 3cfk s LEU 78 Cb -0.07 -1.37 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 3cfk s LEU 78 CO 0.01 0.26 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.83 3cfk s TYR 79 N -0.85 1.30 -0.13 5.38 2.02 0.98 -1.12 117.35 124.92 3cfk s TYR 79 Ca 0.13 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3cfk s TYR 79 Cb -0.10 -0.74 0.04 0.00 -0.40 0.00 0.00 41.96 40.76 3cfk s TYR 79 CO 0.03 0.06 0.02 -1.17 -1.57 0.00 0.00 175.55 172.93 3cfk s LEU 80 N -1.50 0.85 -0.22 -1.29 2.96 -0.53 -2.11 118.68 116.84 3cfk s LEU 80 Ca 0.01 -0.45 -0.13 0.00 -0.22 0.00 0.00 54.13 53.33 3cfk s LEU 80 Cb -0.09 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 3cfk s LEU 80 CO 0.02 -0.25 0.28 -1.58 -1.32 0.00 0.00 176.35 173.50 3cfk s GLN 81 N 1.93 4.11 -0.12 1.98 0.74 0.85 -0.69 119.66 128.47 3cfk s GLN 81 Ca 0.02 -0.03 -0.03 0.00 0.05 0.00 0.00 55.36 55.37 3cfk s GLN 81 Cb -0.15 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.38 3cfk s GLN 81 CO -0.07 -0.01 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.14 3cfk s LEU 82 N 1.25 3.42 0.27 3.68 1.43 0.11 -1.46 118.68 127.38 3cfk s LEU 82 Ca 0.13 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 3cfk s LEU 82 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 3cfk s LEU 82 CO 0.07 0.28 0.13 -0.94 0.23 0.00 0.00 176.35 176.11 3cfk s SER 82 N -0.27 1.17 -1.32 2.29 1.04 -0.88 -0.62 113.70 115.11 3cfk s SER 82 Ca 0.05 -1.47 -0.08 0.00 0.48 0.00 0.00 55.95 54.93 3cfk s SER 82 Cb -0.12 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3cfk s SER 82 CO 0.02 -0.83 0.52 0.54 0.98 0.00 0.00 173.24 174.48 3cfk n ARG 82 N -0.48 -2.41 -2.34 4.02 1.74 -1.23 -4.85 116.66 111.10 3cfk n ARG 82 Ca 0.01 0.38 -0.42 0.00 -0.77 0.00 0.00 57.85 57.06 3cfk n ARG 82 Cb 0.66 -4.23 -0.03 0.00 -1.02 0.00 0.00 32.46 27.83 3cfk n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cfk s LEU 82 N -6.89 4.41 0.30 0.55 1.43 -1.02 -4.71 118.68 112.76 3cfk s LEU 82 Ca 0.17 2.20 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 3cfk s LEU 82 Cb -0.07 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 3cfk s LEU 82 CO 0.89 -0.45 -0.02 -0.13 0.23 0.00 0.00 176.35 176.87 3cfk s ARG 83 N 0.31 1.61 0.53 1.70 0.52 -1.26 -0.11 118.95 122.26 3cfk s ARG 83 Ca 0.56 -1.85 0.19 0.00 -0.52 0.00 0.00 55.73 54.12 3cfk s ARG 83 Cb -0.33 -1.11 1.35 0.00 0.52 0.00 0.00 34.95 35.38 3cfk s ARG 83 CO 0.34 -0.04 2.12 0.66 0.02 0.00 0.00 175.30 178.40 3cfk h SER 84 N 2.19 0.00 0.11 0.23 4.64 -1.97 0.13 113.55 118.88 3cfk h SER 84 Ca -0.41 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3cfk h SER 84 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3cfk h SER 84 CO 0.69 0.00 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.30 3cfk h GLU 85 N 0.00 0.00 -0.00 4.77 5.08 -1.96 -1.65 114.58 120.82 3cfk h GLU 85 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3cfk h GLU 85 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3cfk h GLU 85 CO -0.00 0.02 -0.03 -0.25 -1.00 0.00 0.00 179.01 177.74 3cfk n ASP 86 N -3.46 0.05 -4.67 1.42 8.00 0.45 -4.82 116.55 113.52 3cfk n ASP 86 Ca -0.03 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 3cfk n ASP 86 Cb 0.11 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 3cfk n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3cfk s SER 87 N -2.87 6.56 0.01 -2.24 0.01 -0.62 -4.90 113.70 109.64 3cfk s SER 87 Ca 0.18 2.49 -0.29 0.00 1.31 0.00 0.00 55.95 59.64 3cfk s SER 87 Cb 0.19 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.99 3cfk s SER 87 CO 0.52 -0.97 1.25 0.00 0.41 0.00 0.00 173.24 174.45 3cfk s ALA 88 N 3.75 -2.20 -0.06 1.44 0.00 -0.65 -4.45 121.76 119.59 3cfk s ALA 88 Ca 0.79 0.46 -0.22 0.00 0.00 0.00 0.00 51.96 52.99 3cfk s ALA 88 Cb -0.39 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 3cfk s ALA 88 CO 0.35 -1.07 0.65 -0.51 0.00 0.00 0.00 175.76 175.17 3cfk s LEU 89 N -3.17 4.33 -0.21 0.00 1.43 -0.62 -1.27 118.68 119.17 3cfk s LEU 89 Ca 0.17 1.13 -0.05 0.00 -1.03 0.00 0.00 54.13 54.35 3cfk s LEU 89 Cb 0.03 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 3cfk s LEU 89 CO -0.02 -0.05 -0.00 -0.31 0.23 0.00 0.00 176.35 176.20 3cfk s TYR 90 N 0.55 3.02 -0.16 0.29 1.51 -0.73 -0.69 117.35 121.14 3cfk s TYR 90 Ca 0.34 -0.58 -0.04 0.00 -1.01 0.00 0.00 57.07 55.78 3cfk s TYR 90 Cb -0.17 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.54 3cfk s TYR 90 CO 0.17 -0.34 -0.02 0.71 -1.11 0.00 0.00 175.55 174.95 3cfk s TYR 91 N 1.22 3.06 -0.19 2.71 2.02 0.31 -1.93 117.35 124.54 3cfk s TYR 91 Ca 0.03 -0.26 -0.29 0.00 -0.37 0.00 0.00 57.07 56.18 3cfk s TYR 91 Cb -0.15 -1.98 -0.00 0.00 -0.40 0.00 0.00 41.96 39.43 3cfk s TYR 91 CO 0.01 -0.02 1.14 0.00 -1.57 0.00 0.00 175.55 175.11 3cfk s VAL 93 N 3.25 0.61 -0.02 0.00 1.01 -0.18 -0.20 120.40 124.87 3cfk s VAL 93 Ca 0.49 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.05 3cfk s VAL 93 Cb -0.18 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 3cfk s VAL 93 CO 0.11 0.22 0.65 -0.60 0.00 0.00 0.00 175.10 175.48 3cfk s ARG 94 N 0.61 4.39 -0.28 2.72 3.52 -0.10 -0.50 118.95 129.32 3cfk s ARG 94 Ca -0.09 0.81 -0.08 0.00 -0.13 0.00 0.00 55.73 56.25 3cfk s ARG 94 Cb -0.12 -3.39 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 3cfk s ARG 94 CO 0.01 0.24 0.11 -1.17 -0.81 0.00 0.00 175.30 173.67 3cfk s LEU 95 N 0.20 3.79 -0.22 -0.88 2.96 -0.82 -1.70 118.68 122.01 3cfk s LEU 95 Ca 0.34 -0.41 -0.18 0.00 -0.22 0.00 0.00 54.13 53.66 3cfk s LEU 95 Cb -0.18 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.53 3cfk s LEU 95 CO 0.18 -0.12 0.53 -0.62 -1.32 0.00 0.00 176.35 174.99 3cfk s ASP 96 N 1.60 6.53 0.13 3.68 2.15 0.27 -3.81 116.67 127.21 3cfk s ASP 96 Ca 0.05 0.63 0.02 0.00 0.43 0.00 0.00 52.55 53.69 3cfk s ASP 96 Cb -0.16 -2.29 -0.04 0.00 -0.30 0.00 0.00 42.92 40.13 3cfk s ASP 96 CO 0.05 -0.23 0.24 0.12 -0.17 0.00 0.00 175.17 175.18 3cfk s PHE 97 N 1.90 3.44 -0.40 -5.34 5.36 -1.26 -1.83 117.98 119.85 3cfk s PHE 97 Ca 0.23 0.13 -0.00 0.00 -0.96 0.00 0.00 56.93 56.33 3cfk s PHE 97 Cb -0.15 -1.67 0.19 0.00 -0.34 0.00 0.00 43.02 41.05 3cfk s PHE 97 CO 0.09 0.53 0.88 0.34 -1.46 0.00 0.00 175.22 175.61 3cfk s ASP 98 N -3.01 -0.89 0.36 6.13 -1.08 -1.26 -4.96 116.67 111.96 3cfk s ASP 98 Ca 0.34 -0.79 0.06 0.00 -0.52 0.00 0.00 52.55 51.64 3cfk s ASP 98 Cb -0.11 1.15 0.69 0.00 -1.46 0.00 0.00 42.92 43.19 3cfk s ASP 98 CO 0.27 -0.06 1.92 0.58 0.52 0.00 0.00 175.17 178.41 3cfk h VAL 99 N 3.97 1.17 -0.19 1.11 2.07 -1.98 -1.69 116.25 120.72 3cfk h VAL 99 Ca 0.02 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3cfk h VAL 99 Cb 1.17 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 3cfk h VAL 99 CO -0.02 0.22 0.03 1.88 0.02 0.00 0.00 177.57 179.70 3cfk h TYR 100 N 0.47 0.33 0.00 1.57 0.05 -2.06 -3.05 116.97 114.28 3cfk h TYR 100 Ca 0.11 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3cfk h TYR 100 Cb 0.25 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3cfk h TYR 100 CO 0.01 0.47 0.00 0.09 -1.05 0.00 0.00 178.16 177.68 3cfk n ASN 100 N -4.75 0.32 -2.41 3.88 3.02 -1.06 -5.25 115.26 109.01 3cfk n ASN 100 Ca -0.04 0.54 -0.02 0.00 -0.03 0.00 0.00 54.58 55.03 3cfk n ASN 100 Cb 0.19 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 3cfk n ASN 100 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3cfk n HIS 100 N -1.81 -2.80 0.00 3.10 8.25 -0.66 -5.10 115.22 116.20 3cfk n HIS 100 Ca 0.05 1.21 0.00 0.00 -0.26 0.00 0.00 57.72 58.72 3cfk n HIS 100 Cb 0.33 -3.34 0.00 0.00 1.12 0.00 0.00 29.99 28.10 3cfk n HIS 100 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3cfk n TYR 100 N 0.26 0.00 -4.87 4.41 4.02 -1.26 -5.05 117.16 114.68 3cfk n TYR 100 Ca 0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.66 3cfk n TYR 100 Cb 0.10 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.26 3cfk n TYR 100 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3cfk s VAL 100 N 0.00 1.50 -0.82 -0.72 1.01 -0.76 -4.98 120.40 115.63 3cfk s VAL 100 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 3cfk s VAL 100 Cb 0.00 -1.26 0.10 0.00 0.00 0.00 0.00 36.38 35.23 3cfk s VAL 100 CO 0.00 0.38 1.06 -0.76 0.00 0.00 0.00 175.10 175.78 3cfk s LEU 100 N -0.55 4.76 -0.22 3.92 1.43 -1.26 -0.56 118.68 126.19 3cfk s LEU 100 Ca 0.07 -1.60 -0.10 0.00 -1.03 0.00 0.00 54.13 51.47 3cfk s LEU 100 Cb -0.07 -2.41 -0.19 0.00 0.03 0.00 0.00 46.19 43.55 3cfk s LEU 100 CO -0.00 -1.23 -0.01 -0.90 0.23 0.00 0.00 176.35 174.44 3cfk n ASP 101 N 7.07 1.99 -4.49 2.29 5.75 -0.69 -4.90 116.55 123.57 3cfk n ASP 101 Ca 0.13 0.20 -0.33 0.00 -0.01 0.00 0.00 54.79 54.77 3cfk n ASP 101 Cb 0.47 -0.76 -0.12 0.00 -1.03 0.00 0.00 41.12 39.68 3cfk n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3cfk s TYR 102 N -2.49 2.90 -0.03 2.11 2.02 -1.25 -5.00 117.35 115.62 3cfk s TYR 102 Ca -0.31 -0.25 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 3cfk s TYR 102 Cb 0.09 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.83 3cfk s TYR 102 CO 0.61 0.08 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.88 3cfk s TRP 103 N -0.18 2.00 1.04 2.71 0.52 -1.26 -0.92 118.94 122.84 3cfk s TRP 103 Ca 0.02 -0.45 -0.14 0.00 0.02 0.00 0.00 56.10 55.55 3cfk s TRP 103 Cb -0.13 -1.30 0.21 0.00 -1.15 0.00 0.00 33.47 31.09 3cfk s TRP 103 CO 0.03 -0.09 1.11 0.20 0.02 0.00 0.00 176.95 178.22 3cfk s GLY 104 N -0.36 1.57 0.38 0.98 0.00 0.73 -4.86 107.32 105.76 3cfk s GLY 104 Ca 0.04 -0.57 0.20 0.00 0.00 0.00 0.00 44.72 44.40 3cfk s GLY 104 CO 0.00 0.11 1.61 1.46 0.00 0.00 0.00 173.10 176.29 3cfk h GLN 105 N -2.00 0.00 0.00 2.90 4.20 -1.89 -3.44 115.11 114.88 3cfk h GLN 105 Ca -0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3cfk h GLN 105 Cb 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 3cfk h GLN 105 CO 0.53 0.26 0.00 0.41 -0.67 0.00 0.00 178.83 179.36 3cfk n GLY 106 N 0.87 2.01 3.25 3.46 0.00 -1.26 -4.99 105.19 108.52 3cfk n GLY 106 Ca 0.02 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 3cfk n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3cfk s THR 107 N -2.34 1.92 0.08 2.61 -1.32 -0.81 -4.86 115.64 110.91 3cfk s THR 107 Ca 0.00 -1.00 -0.28 0.00 -1.21 0.00 0.00 61.69 59.21 3cfk s THR 107 Cb 0.00 -1.62 -0.06 0.00 -1.51 0.00 0.00 72.50 69.31 3cfk s THR 107 CO 0.00 0.54 0.87 -0.55 -2.21 0.00 0.00 174.62 173.26 3cfk s SER 108 N -0.20 7.36 -0.11 8.08 0.15 -1.26 -1.77 113.70 125.95 3cfk s SER 108 Ca -0.01 1.62 0.02 0.00 0.70 0.00 0.00 55.95 58.28 3cfk s SER 108 Cb -0.13 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.67 3cfk s SER 108 CO 0.03 -0.03 -0.19 -0.69 1.20 0.00 0.00 173.24 173.56 3cfk s VAL 109 N -0.01 1.75 -0.11 4.45 1.01 -0.40 -0.53 120.40 126.57 3cfk s VAL 109 Ca 0.43 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3cfk s VAL 109 Cb -0.22 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3cfk s VAL 109 CO 0.26 0.49 -0.23 -0.89 0.00 0.00 0.00 175.10 174.74 3cfk s THR 110 N 0.78 1.98 -0.33 3.92 2.01 -0.47 -1.63 115.64 121.89 3cfk s THR 110 Ca -0.10 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 60.83 3cfk s THR 110 Cb -0.16 -1.72 -0.00 0.00 0.01 0.00 0.00 72.50 70.62 3cfk s THR 110 CO 0.01 0.54 0.19 -0.69 -0.69 0.00 0.00 174.62 173.98 3cfk s VAL 111 N 0.48 4.84 -0.17 3.82 1.01 -1.26 -0.76 120.40 128.36 3cfk s VAL 111 Ca -0.16 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 3cfk s VAL 111 Cb -0.17 -3.52 0.12 0.00 0.00 0.00 0.00 36.38 32.81 3cfk s VAL 111 CO 0.06 -0.02 0.95 -0.55 0.00 0.00 0.00 175.10 175.54 3cfk s SER 112 N 1.64 -0.43 0.00 3.32 0.15 -0.34 -4.51 113.70 113.53 3cfk s SER 112 Ca 0.05 0.54 0.25 0.00 0.70 0.00 0.00 55.95 57.49 3cfk s SER 112 Cb -0.18 0.45 0.55 0.00 -1.71 0.00 0.00 66.02 65.14 3cfk s SER 112 CO 0.08 -0.35 1.44 -1.54 1.20 0.00 0.00 173.24 174.07 3cfk n SER 113 N 1.04 1.55 -4.74 5.45 3.41 -1.26 -4.16 113.62 114.91 3cfk n SER 113 Ca -0.12 -1.26 -0.36 0.00 -0.26 0.00 0.00 58.87 56.87 3cfk n SER 113 Cb 0.57 0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.78 3cfk n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cfk s ALA 114 N -2.37 2.40 0.43 7.33 0.00 -1.26 -5.02 121.76 123.27 3cfk s ALA 114 Ca 0.25 1.12 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 3cfk s ALA 114 Cb 0.19 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3cfk s ALA 114 CO 0.48 -1.49 0.67 -1.54 0.00 0.00 0.00 175.76 173.88 3cfk s SER 115 N -1.52 6.03 0.49 0.00 1.04 -1.26 -5.06 113.70 113.43 3cfk s SER 115 Ca 0.80 0.47 -0.22 0.00 0.48 0.00 0.00 55.95 57.48 3cfk s SER 115 Cb -0.34 -1.82 -0.07 0.00 0.10 0.00 0.00 66.02 63.89 3cfk s SER 115 CO 0.38 -0.58 1.22 -0.89 0.98 0.00 0.00 173.24 174.36 3cfk s THR 116 N -2.54 2.80 -0.08 2.02 2.01 -1.26 -4.80 115.64 113.80 3cfk s THR 116 Ca 0.46 0.60 -0.03 0.00 0.31 0.00 0.00 61.69 63.02 3cfk s THR 116 Cb -0.10 -3.30 0.04 0.00 0.01 0.00 0.00 72.50 69.15 3cfk s THR 116 CO 0.39 -0.01 0.16 -0.75 -0.69 0.00 0.00 174.62 173.72 3cfk s LYS 117 N -2.78 0.07 0.55 4.92 2.20 0.34 -4.93 119.74 120.11 3cfk s LYS 117 Ca 0.66 0.49 -0.18 0.00 -0.36 0.00 0.00 55.97 56.58 3cfk s LYS 117 Cb -0.32 -0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 35.73 3cfk s LYS 117 CO 0.38 -0.24 1.06 0.20 -0.36 0.00 0.00 175.35 176.39 3cfk s GLY 118 N 1.77 2.31 0.45 5.54 0.00 -1.26 -1.21 107.32 114.92 3cfk s GLY 118 Ca -0.03 0.52 -0.16 0.00 0.00 0.00 0.00 44.72 45.04 3cfk s GLY 118 CO -0.06 0.84 0.91 2.56 0.00 0.00 0.00 173.10 177.34 3cfk s PRO 119 N -3.70 3.99 0.11 2.90 0.04 -1.26 -4.52 135.00 132.56 3cfk s PRO 119 Ca 0.66 0.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.42 3cfk s PRO 119 Cb -0.17 -2.23 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 3cfk s PRO 119 CO 0.30 -0.12 0.52 -1.12 0.04 0.00 0.00 177.00 176.63 3cfk s SER 120 N -2.77 6.85 -0.19 6.66 0.01 -0.18 -4.91 113.70 119.17 3cfk s SER 120 Ca 0.58 1.07 -0.00 0.00 1.31 0.00 0.00 55.95 58.90 3cfk s SER 120 Cb -0.10 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.86 3cfk s SER 120 CO 0.25 0.17 -0.15 -0.69 0.41 0.00 0.00 173.24 173.23 3cfk s VAL 121 N -1.35 2.46 -0.03 3.43 1.01 -1.26 -0.81 120.40 123.86 3cfk s VAL 121 Ca 0.34 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3cfk s VAL 121 Cb -0.16 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3cfk s VAL 121 CO 0.18 0.50 -0.25 -0.36 0.00 0.00 0.00 175.10 175.18 3cfk s PHE 122 N 1.35 2.38 0.34 5.22 0.08 0.15 -4.94 117.98 122.55 3cfk s PHE 122 Ca 0.05 -0.43 -0.27 0.00 0.12 0.00 0.00 56.93 56.40 3cfk s PHE 122 Cb -0.13 -1.52 -0.09 0.00 -0.57 0.00 0.00 43.02 40.70 3cfk s PHE 122 CO -0.10 -0.03 1.14 -1.25 -0.10 0.00 0.00 175.22 174.88 3cfk s PRO 123 N -0.59 4.36 -0.77 0.24 0.04 -1.26 -0.02 135.00 136.99 3cfk s PRO 123 Ca 0.09 1.82 -0.08 0.00 0.04 0.00 0.00 61.00 62.87 3cfk s PRO 123 Cb -0.10 -2.92 0.20 0.00 0.04 0.00 0.00 34.50 31.71 3cfk s PRO 123 CO -0.00 -0.05 0.66 -0.51 0.04 0.00 0.00 177.00 177.14 3cfk s LEU 124 N -1.98 6.04 0.29 -3.56 1.43 0.27 -4.80 118.68 116.38 3cfk s LEU 124 Ca 0.51 -2.90 -0.29 0.00 -1.03 0.00 0.00 54.13 50.41 3cfk s LEU 124 Cb -0.31 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.76 3cfk s LEU 124 CO 0.40 -0.44 1.41 0.00 0.23 0.00 0.00 176.35 177.94 3cfk s ALA 125 N -0.15 3.58 0.54 4.21 0.00 -1.26 -1.50 121.76 127.18 3cfk s ALA 125 Ca 0.19 1.34 -0.08 0.00 0.00 0.00 0.00 51.96 53.42 3cfk s ALA 125 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3cfk s ALA 125 CO -0.07 -0.76 0.89 -1.25 0.00 0.00 0.00 175.76 174.57 3cfk s PRO 126 N -1.06 3.57 -0.03 0.00 0.04 -1.25 -4.86 135.00 131.41 3cfk s PRO 126 Ca 0.55 0.44 0.01 0.00 0.04 0.00 0.00 61.00 62.05 3cfk s PRO 126 Cb -0.42 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 31.89 3cfk s PRO 126 CO 0.49 -0.36 -0.06 0.45 0.04 0.00 0.00 177.00 177.57 3cfk s SER 127 N -4.11 0.93 0.49 6.66 0.15 -1.26 -1.64 113.70 114.91 3cfk s SER 127 Ca 0.51 -0.13 0.29 0.00 0.70 0.00 0.00 55.95 57.31 3cfk s SER 127 Cb -0.11 -0.35 1.38 0.00 -1.71 0.00 0.00 66.02 65.23 3cfk s SER 127 CO 0.48 -0.01 1.83 -1.28 1.20 0.00 0.00 173.24 175.47 3cfk h SER 128 N 6.79 0.15 0.55 5.45 0.87 -1.97 -0.65 113.55 124.74 3cfk h SER 128 Ca -0.36 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 3cfk h SER 128 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3cfk h SER 128 CO 0.48 0.04 -0.22 0.29 -0.53 0.00 0.00 176.83 176.89 3cfk n LYS 129 N -4.35 0.32 -2.81 2.24 5.02 -1.26 -4.35 118.16 112.97 3cfk n LYS 129 Ca 0.23 -0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 56.09 3cfk n LYS 129 Cb 1.02 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.51 3cfk n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3cfk n SER 130 N -1.23 5.16 -4.89 4.39 7.64 -0.25 -5.05 113.62 119.39 3cfk n SER 130 Ca 0.10 -3.70 -0.31 0.00 1.01 0.00 0.00 58.87 55.97 3cfk n SER 130 Cb 0.32 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.79 3cfk n SER 130 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfk s THR 133 N -4.57 5.20 -0.12 0.44 -4.23 -1.26 -4.64 115.64 106.47 3cfk s THR 133 Ca 0.47 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 60.40 3cfk s THR 133 Cb 0.28 -3.54 0.04 0.00 1.34 0.00 0.00 72.50 70.61 3cfk s THR 133 CO -0.15 0.12 0.30 -0.55 -0.54 0.00 0.00 174.62 173.80 3cfk s SER 134 N -2.54 -0.33 -1.47 3.99 0.15 -0.40 -4.89 113.70 108.22 3cfk s SER 134 Ca 0.34 0.62 -0.09 0.00 0.70 0.00 0.00 55.95 57.52 3cfk s SER 134 Cb -0.13 0.57 0.06 0.00 -1.71 0.00 0.00 66.02 64.81 3cfk s SER 134 CO 0.27 -0.14 0.85 0.61 1.20 0.00 0.00 173.24 176.03 3cfk n GLY 135 N 3.54 -0.41 2.53 9.45 0.00 -1.26 -1.48 105.19 117.56 3cfk n GLY 135 Ca -0.18 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3cfk n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 136 N -1.67 1.45 3.22 -0.02 0.00 -1.26 -4.99 105.19 101.92 3cfk n GLY 136 Ca -0.09 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.59 3cfk n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfk s THR 137 N -2.42 1.12 -0.06 2.61 -4.23 -0.55 -2.32 115.64 109.79 3cfk s THR 137 Ca 0.00 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 3cfk s THR 137 Cb 0.00 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.26 3cfk s THR 137 CO 0.00 -0.57 -0.04 0.00 -0.54 0.00 0.00 174.62 173.47 3cfk s ALA 138 N -2.59 3.10 -0.04 3.99 0.00 0.13 -1.28 121.76 125.07 3cfk s ALA 138 Ca 0.10 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3cfk s ALA 138 Cb -0.02 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 3cfk s ALA 138 CO 0.01 0.59 -0.09 0.00 0.00 0.00 0.00 175.76 176.26 3cfk s ALA 139 N -0.87 2.88 0.11 0.00 0.00 -1.26 -0.86 121.76 121.76 3cfk s ALA 139 Ca 0.14 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 3cfk s ALA 139 Cb -0.11 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 3cfk s ALA 139 CO 0.03 0.58 0.17 -0.48 0.00 0.00 0.00 175.76 176.06 3cfk s LEU 140 N -0.94 1.48 0.00 0.00 0.05 0.22 -3.95 118.68 115.54 3cfk s LEU 140 Ca 0.13 -0.80 -0.12 0.00 0.05 0.00 0.00 54.13 53.39 3cfk s LEU 140 Cb -0.11 0.90 0.04 0.00 -2.05 0.00 0.00 46.19 44.98 3cfk s LEU 140 CO 0.03 -0.75 0.58 0.61 -0.55 0.00 0.00 176.35 176.26 3cfk n GLY 141 N -0.08 0.69 3.01 -3.48 0.00 -0.56 0.64 105.19 105.41 3cfk n GLY 141 Ca -0.12 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.68 3cfk n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk s LEU 143 N 0.44 4.38 -0.43 0.00 2.96 0.97 -1.23 118.68 125.76 3cfk s LEU 143 Ca -0.08 -0.12 -0.13 0.00 -0.22 0.00 0.00 54.13 53.58 3cfk s LEU 143 Cb -0.12 -2.42 0.06 0.00 0.50 0.00 0.00 46.19 44.20 3cfk s LEU 143 CO 0.02 -0.37 0.30 -0.69 -1.32 0.00 0.00 176.35 174.29 3cfk s VAL 144 N 2.14 4.79 0.02 1.68 1.01 0.53 -0.67 120.40 129.89 3cfk s VAL 144 Ca 0.14 -1.08 0.07 0.00 0.00 0.00 0.00 61.98 61.12 3cfk s VAL 144 Cb -0.16 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3cfk s VAL 144 CO 0.12 -0.46 -0.22 -0.75 0.00 0.00 0.00 175.10 173.80 3cfk s LYS 145 N 1.56 1.58 -0.67 2.72 2.20 0.01 -0.73 119.74 126.40 3cfk s LYS 145 Ca 0.03 -0.90 -0.03 0.00 -0.36 0.00 0.00 55.97 54.71 3cfk s LYS 145 Cb -0.22 -1.64 -0.04 0.00 -1.51 0.00 0.00 37.83 34.42 3cfk s LYS 145 CO 0.06 0.43 0.58 -0.25 -0.36 0.00 0.00 175.35 175.81 3cfk n ASP 146 N 2.09 -4.38 -4.42 1.43 8.00 -0.51 -1.01 116.55 117.76 3cfk n ASP 146 Ca -0.16 -0.43 -0.22 0.00 0.71 0.00 0.00 54.79 54.68 3cfk n ASP 146 Cb 0.53 -3.44 -0.10 0.00 -0.02 0.00 0.00 41.12 38.09 3cfk n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3cfk s TYR 147 N -3.24 2.05 -0.28 1.24 1.13 -0.76 -4.31 117.35 113.20 3cfk s TYR 147 Ca 0.23 -0.43 -0.22 0.00 -1.41 0.00 0.00 57.07 55.25 3cfk s TYR 147 Cb -0.03 -0.91 0.08 0.00 -1.10 0.00 0.00 41.96 40.00 3cfk s TYR 147 CO 0.46 0.57 0.76 0.12 -2.51 0.00 0.00 175.55 174.95 3cfk s PHE 148 N -2.69 -0.83 0.31 -3.49 5.36 -0.35 -0.64 117.98 115.64 3cfk s PHE 148 Ca 0.27 1.87 -0.01 0.00 -0.96 0.00 0.00 56.93 58.10 3cfk s PHE 148 Cb -0.03 0.40 0.06 0.00 -0.34 0.00 0.00 43.02 43.11 3cfk s PHE 148 CO 0.12 -0.41 0.42 -0.35 -1.46 0.00 0.00 175.22 173.54 3cfk n PRO 149 N 3.20 0.18 -0.84 10.12 -0.04 -1.26 -0.51 135.00 145.86 3cfk n PRO 149 Ca -0.16 -1.03 -0.31 0.00 -0.04 0.00 0.00 63.50 61.96 3cfk n PRO 149 Cb 0.56 -0.31 0.15 0.00 -0.04 0.00 0.00 33.50 33.87 3cfk n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3cfk s GLU 150 N -3.58 1.19 0.43 0.54 0.41 -1.26 -4.76 118.70 111.67 3cfk s GLU 150 Ca 0.27 1.39 0.08 0.00 -0.41 0.00 0.00 54.97 56.30 3cfk s GLU 150 Cb -0.01 -1.76 0.01 0.00 -1.78 0.00 0.00 34.13 30.58 3cfk s GLU 150 CO 0.18 -2.46 0.52 -1.25 -0.49 0.00 0.00 175.26 171.76 3cfk s PRO 151 N -4.71 2.67 0.05 0.39 0.04 -1.26 -4.95 135.00 127.23 3cfk s PRO 151 Ca 0.65 -1.39 0.07 0.00 0.04 0.00 0.00 61.00 60.37 3cfk s PRO 151 Cb -0.21 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 3cfk s PRO 151 CO 0.58 -0.30 -0.17 0.14 0.04 0.00 0.00 177.00 177.29 3cfk s VAL 152 N -2.43 2.87 -0.10 -0.36 -7.23 -1.26 -4.49 120.40 107.40 3cfk s VAL 152 Ca 0.53 -1.19 -0.03 0.00 -1.81 0.00 0.00 61.98 59.47 3cfk s VAL 152 Cb -0.07 -2.23 -0.03 0.00 0.56 0.00 0.00 36.38 34.61 3cfk s VAL 152 CO 0.31 0.31 0.03 0.42 -0.31 0.00 0.00 175.10 175.86 3cfk s THR 153 N -0.96 4.56 -0.03 5.32 -4.23 -0.73 -4.98 115.64 114.59 3cfk s THR 153 Ca 0.15 -0.15 0.04 0.00 -1.18 0.00 0.00 61.69 60.56 3cfk s THR 153 Cb -0.11 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 3cfk s THR 153 CO 0.06 0.60 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.89 3cfk s VAL 154 N -0.84 1.30 0.22 2.29 1.01 -1.26 -1.46 120.40 121.65 3cfk s VAL 154 Ca 0.13 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 3cfk s VAL 154 Cb -0.12 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3cfk s VAL 154 CO 0.03 0.37 0.26 -0.94 0.00 0.00 0.00 175.10 174.82 3cfk s SER 156 N -0.08 0.06 -0.14 3.32 1.04 -0.36 -4.97 113.70 112.57 3cfk s SER 156 Ca -0.00 -1.21 0.03 0.00 0.48 0.00 0.00 55.95 55.25 3cfk s SER 156 Cb -0.09 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.49 3cfk s SER 156 CO 0.01 -0.95 -0.22 0.26 0.98 0.00 0.00 173.24 173.32 3cfk s TRP 157 N -4.10 2.66 -1.21 5.02 0.52 -1.26 0.36 118.94 120.93 3cfk s TRP 157 Ca 0.32 -1.30 -0.06 0.00 0.02 0.00 0.00 56.10 55.08 3cfk s TRP 157 Cb 0.04 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.54 3cfk s TRP 157 CO 0.11 -0.58 0.78 0.09 0.02 0.00 0.00 176.95 177.36 3cfk n ASN 162 N 4.00 -3.24 -2.86 2.95 3.02 0.62 -2.00 115.26 117.75 3cfk n ASN 162 Ca -0.20 -0.83 -0.17 0.00 -0.03 0.00 0.00 54.58 53.35 3cfk n ASN 162 Cb 0.52 -4.19 -0.00 0.00 -0.61 0.00 0.00 39.78 35.50 3cfk n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3cfk n SER 163 N -3.01 -3.85 0.00 6.41 7.64 -1.26 -1.10 113.62 118.45 3cfk n SER 163 Ca -0.21 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.61 3cfk n SER 163 Cb 0.65 -3.23 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 3cfk n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfk n GLY 164 N -0.99 1.29 0.23 0.23 0.00 -0.94 -4.92 105.19 100.10 3cfk n GLY 164 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.02 3cfk n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfk h ALA 165 N 0.00 1.46 -2.96 4.61 0.00 -1.07 -3.41 119.26 117.90 3cfk h ALA 165 Ca 0.00 -0.17 -0.69 0.00 0.00 0.00 0.00 54.91 54.05 3cfk h ALA 165 Cb 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 17.50 3cfk h ALA 165 CO 0.00 0.23 -0.57 -1.17 0.00 0.00 0.00 179.25 177.74 3cfk s LEU 166 N -7.97 4.26 0.00 0.00 2.96 -0.85 -4.91 118.68 112.17 3cfk s LEU 166 Ca -0.03 -0.85 0.00 0.00 -0.22 0.00 0.00 54.13 53.02 3cfk s LEU 166 Cb 0.14 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.89 3cfk s LEU 166 CO 0.65 -0.28 0.00 0.35 -1.32 0.00 0.00 176.35 175.75 3cfk n THR 167 N 4.91 0.00 -1.68 3.68 -2.24 -1.26 -4.33 114.28 113.36 3cfk n THR 167 Ca -0.13 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.20 3cfk n THR 167 Cb 0.47 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.23 3cfk n THR 167 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3cfk n SER 168 N -2.17 3.18 0.00 3.42 7.64 -1.26 -2.24 113.62 122.18 3cfk n SER 168 Ca 0.00 1.11 0.00 0.00 1.01 0.00 0.00 58.87 60.99 3cfk n SER 168 Cb 0.38 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 3cfk n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfk n GLY 169 N 2.89 1.16 3.75 0.23 0.00 -1.26 -4.80 105.19 107.15 3cfk n GLY 169 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3cfk n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfk s VAL 171 N -3.60 4.71 -0.12 1.61 1.01 -0.95 -2.16 120.40 120.90 3cfk s VAL 171 Ca 0.00 1.62 -0.02 0.00 0.00 0.00 0.00 61.98 63.59 3cfk s VAL 171 Cb 0.00 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.31 3cfk s VAL 171 CO 0.00 0.38 0.00 -1.00 0.00 0.00 0.00 175.10 174.48 3cfk s HIS 172 N -0.14 0.90 -0.28 5.22 3.76 -0.23 -5.00 115.29 119.52 3cfk s HIS 172 Ca 0.38 -0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 54.71 3cfk s HIS 172 Cb -0.21 -0.94 -0.05 0.00 1.11 0.00 0.00 32.58 32.50 3cfk s HIS 172 CO 0.23 -0.44 0.21 0.99 -0.85 0.00 0.00 174.74 174.88 3cfk s THR 173 N 1.90 5.29 0.39 1.30 2.01 -1.26 -0.62 115.64 124.65 3cfk s THR 173 Ca 0.03 0.22 -0.15 0.00 0.31 0.00 0.00 61.69 62.10 3cfk s THR 173 Cb -0.14 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.74 3cfk s THR 173 CO -0.06 0.24 0.82 -0.36 -0.69 0.00 0.00 174.62 174.57 3cfk s PHE 174 N 1.79 3.39 0.28 4.92 0.40 -0.63 -5.01 117.98 123.12 3cfk s PHE 174 Ca 0.08 1.29 -0.29 0.00 -0.60 0.00 0.00 56.93 57.40 3cfk s PHE 174 Cb -0.16 -2.61 -0.14 0.00 0.51 0.00 0.00 43.02 40.63 3cfk s PHE 174 CO 0.11 -0.06 1.20 -2.30 0.70 0.00 0.00 175.22 174.87 3cfk n PRO 175 N -0.80 1.71 -1.91 0.24 -0.02 -1.26 -4.54 135.00 128.42 3cfk n PRO 175 Ca 0.04 0.60 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 3cfk n PRO 175 Cb 0.54 -2.12 0.04 0.00 -0.02 0.00 0.00 33.50 31.94 3cfk n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfk s ALA 176 N -0.74 2.48 0.02 3.55 0.00 -1.26 -4.80 121.76 121.00 3cfk s ALA 176 Ca 0.61 0.98 0.07 0.00 0.00 0.00 0.00 51.96 53.62 3cfk s ALA 176 Cb -0.67 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 18.97 3cfk s ALA 176 CO 0.57 -1.29 -0.18 0.08 0.00 0.00 0.00 175.76 174.95 3cfk s VAL 177 N -1.67 2.76 -0.33 0.00 1.01 0.62 -4.94 120.40 117.85 3cfk s VAL 177 Ca 0.77 -1.12 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 3cfk s VAL 177 Cb -0.30 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3cfk s VAL 177 CO 0.35 0.39 0.42 -0.22 0.00 0.00 0.00 175.10 176.05 3cfk s LEU 178 N -1.28 4.34 0.67 3.92 2.96 -1.26 -1.14 118.68 126.89 3cfk s LEU 178 Ca 0.14 -0.06 -0.10 0.00 -0.22 0.00 0.00 54.13 53.89 3cfk s LEU 178 Cb -0.10 -2.45 0.01 0.00 0.50 0.00 0.00 46.19 44.14 3cfk s LEU 178 CO 0.04 -0.36 1.05 -1.10 -1.32 0.00 0.00 176.35 174.65 3cfk s GLN 179 N 2.17 2.96 0.50 1.98 -0.21 -0.16 -4.94 119.66 121.96 3cfk s GLN 179 Ca 0.15 0.39 0.33 0.00 0.02 0.00 0.00 55.36 56.26 3cfk s GLN 179 Cb -0.16 -2.08 1.59 0.00 1.00 0.00 0.00 33.01 33.36 3cfk s GLN 179 CO 0.12 -0.90 2.01 0.66 -2.12 0.00 0.00 175.29 175.05 3cfk h SER 180 N -0.51 0.00 0.75 5.90 4.64 -1.98 -0.33 113.55 122.02 3cfk h SER 180 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3cfk h SER 180 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3cfk h SER 180 CO 0.63 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.36 3cfk h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.03 -3.46 113.55 117.67 3cfk h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cfk h SER 182 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3cfk h SER 182 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3cfk n GLY 183 N -0.05 0.71 3.77 -0.77 0.00 -0.13 -5.07 105.19 103.65 3cfk n GLY 183 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3cfk n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfk s LEU 184 N 0.00 3.70 0.35 0.99 1.43 -1.26 -4.88 118.68 119.02 3cfk s LEU 184 Ca 0.00 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3cfk s LEU 184 Cb 0.00 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 3cfk s LEU 184 CO 0.00 0.09 0.57 -0.31 0.23 0.00 0.00 176.35 176.93 3cfk s TYR 185 N -1.67 3.50 -0.13 0.29 2.02 0.19 -0.99 117.35 120.56 3cfk s TYR 185 Ca 0.30 0.45 -0.15 0.00 -0.37 0.00 0.00 57.07 57.29 3cfk s TYR 185 Cb -0.10 -1.97 0.04 0.00 -0.40 0.00 0.00 41.96 39.53 3cfk s TYR 185 CO 0.22 0.09 0.41 0.45 -1.57 0.00 0.00 175.55 175.15 3cfk s SER 186 N -3.89 -0.41 0.09 2.29 0.15 -0.29 -1.42 113.70 110.22 3cfk s SER 186 Ca 0.41 0.74 -0.12 0.00 0.70 0.00 0.00 55.95 57.68 3cfk s SER 186 Cb -0.10 0.77 0.01 0.00 -1.71 0.00 0.00 66.02 65.00 3cfk s SER 186 CO 0.36 -0.19 0.27 -1.48 1.20 0.00 0.00 173.24 173.40 3cfk s LEU 187 N -0.01 1.01 0.10 3.45 0.05 0.09 -0.27 118.68 123.10 3cfk s LEU 187 Ca -0.02 -0.47 0.07 0.00 0.05 0.00 0.00 54.13 53.76 3cfk s LEU 187 Cb -0.03 1.34 -0.03 0.00 -2.05 0.00 0.00 46.19 45.42 3cfk s LEU 187 CO 0.01 -0.75 -0.17 -0.94 -0.55 0.00 0.00 176.35 173.95 3cfk s SER 188 N -2.71 2.20 -0.04 1.48 1.04 -1.26 -0.35 113.70 114.06 3cfk s SER 188 Ca 0.03 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.78 3cfk s SER 188 Cb 0.03 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3cfk s SER 188 CO -0.10 -0.03 -0.12 -0.55 0.98 0.00 0.00 173.24 173.42 3cfk s SER 189 N -2.03 1.63 0.12 7.02 0.15 -0.36 -1.61 113.70 118.62 3cfk s SER 189 Ca 0.05 -0.26 0.05 0.00 0.70 0.00 0.00 55.95 56.49 3cfk s SER 189 Cb -0.09 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.64 3cfk s SER 189 CO 0.04 0.08 -0.12 0.68 1.20 0.00 0.00 173.24 175.11 3cfk s VAL 190 N 0.31 1.20 -0.05 4.45 -7.23 0.21 -1.03 120.40 118.25 3cfk s VAL 190 Ca -0.07 -1.76 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 3cfk s VAL 190 Cb -0.12 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.28 3cfk s VAL 190 CO 0.02 -0.52 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.46 3cfk s VAL 191 N -2.44 1.26 -0.04 1.32 1.01 0.21 -1.07 120.40 120.65 3cfk s VAL 191 Ca 0.09 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3cfk s VAL 191 Cb -0.03 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3cfk s VAL 191 CO 0.02 0.37 -0.08 0.42 0.00 0.00 0.00 175.10 175.83 3cfk s THR 192 N 0.22 3.55 0.05 3.92 -4.23 -0.92 -0.61 115.64 117.63 3cfk s THR 192 Ca -0.07 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3cfk s THR 192 Cb -0.12 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 3cfk s THR 192 CO 0.02 0.53 -0.07 0.68 -0.54 0.00 0.00 174.62 175.24 3cfk s VAL 193 N -0.86 0.49 0.25 2.29 -7.23 -0.04 -4.56 120.40 110.74 3cfk s VAL 193 Ca 0.14 -1.20 -0.31 0.00 -1.81 0.00 0.00 61.98 58.80 3cfk s VAL 193 Cb -0.11 -0.74 -0.13 0.00 0.56 0.00 0.00 36.38 35.96 3cfk s VAL 193 CO 0.03 -0.49 1.45 -2.65 -0.31 0.00 0.00 175.10 173.14 3cfk n PRO 194 N 1.23 2.17 -0.22 4.82 -0.02 -1.26 0.21 135.00 141.93 3cfk n PRO 194 Ca -0.21 0.77 -0.01 0.00 -2.02 0.00 0.00 63.50 62.03 3cfk n PRO 194 Cb 0.56 -2.46 0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3cfk n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cfk h SER 195 N 4.40 -0.76 0.30 2.55 0.02 -1.74 -0.70 113.55 117.63 3cfk h SER 195 Ca -0.45 0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3cfk h SER 195 Cb 1.26 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.26 3cfk h SER 195 CO 0.77 -0.24 0.00 -1.20 -1.14 0.00 0.00 176.83 175.01 3cfk n SER 196 N -5.45 0.21 -0.76 3.07 7.64 -1.26 -1.99 113.62 115.08 3cfk n SER 196 Ca 0.07 0.57 0.11 0.00 1.01 0.00 0.00 58.87 60.64 3cfk n SER 196 Cb 0.35 -0.61 0.31 0.00 -1.01 0.00 0.00 64.21 63.26 3cfk n SER 196 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3cfk n SER 197 N -1.76 2.30 0.23 6.43 3.41 -0.27 -4.68 113.62 119.28 3cfk n SER 197 Ca 0.01 -1.81 -0.16 0.00 -0.26 0.00 0.00 58.87 56.66 3cfk n SER 197 Cb 0.11 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 63.84 3cfk n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3cfk h LEU 198 N 3.08 -0.89 0.00 1.04 5.85 -1.50 -1.49 115.31 121.41 3cfk h LEU 198 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3cfk h LEU 198 Cb 0.67 0.29 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3cfk h LEU 198 CO 0.00 -0.48 0.00 0.61 -0.34 0.00 0.00 178.44 178.23 3cfk n GLY 199 N -1.45 -0.58 0.20 3.75 0.00 -1.26 -3.91 105.19 101.94 3cfk n GLY 199 Ca -0.10 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 45.89 3cfk n GLY 199 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cfk h THR 200 N 0.00 0.68 -3.50 2.61 2.02 -1.58 -3.46 112.91 109.68 3cfk h THR 200 Ca 0.00 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.68 3cfk h THR 200 Cb 0.03 1.96 -0.10 0.00 -1.74 0.00 0.00 68.15 68.29 3cfk h THR 200 CO 0.00 0.31 -0.08 0.00 0.37 0.00 0.00 175.52 176.12 3cfk s GLN 203 N -3.47 1.35 0.13 6.66 -2.07 -1.25 -5.16 119.66 115.85 3cfk s GLN 203 Ca 0.01 -1.00 -0.20 0.00 -1.82 0.00 0.00 55.36 52.35 3cfk s GLN 203 Cb 0.10 0.48 -0.07 0.00 -1.09 0.00 0.00 33.01 32.42 3cfk s GLN 203 CO 0.67 -0.56 0.65 0.99 -1.32 0.00 0.00 175.29 175.73 3cfk s THR 205 N -3.92 4.62 -0.17 3.63 2.01 -1.26 -5.04 115.64 115.51 3cfk s THR 205 Ca 0.13 1.32 0.01 0.00 0.31 0.00 0.00 61.69 63.46 3cfk s THR 205 Cb 0.00 -3.94 0.02 0.00 0.01 0.00 0.00 72.50 68.59 3cfk s THR 205 CO -0.00 0.46 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.90 3cfk s TYR 206 N -1.22 2.63 -0.12 4.92 2.02 -1.26 -4.95 117.35 119.36 3cfk s TYR 206 Ca 0.34 -1.55 -0.00 0.00 -0.37 0.00 0.00 57.07 55.49 3cfk s TYR 206 Cb -0.20 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.55 3cfk s TYR 206 CO 0.21 -0.77 -0.10 0.42 -1.57 0.00 0.00 175.55 173.74 3cfk s ILE 207 N 1.34 1.16 -0.12 2.71 1.01 -1.26 -1.02 121.20 125.02 3cfk s ILE 207 Ca 0.05 -0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 3cfk s ILE 207 Cb -0.13 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 3cfk s ILE 207 CO -0.12 0.39 0.45 0.00 0.00 0.00 0.00 174.94 175.66 3cfk s ASN 209 N 0.56 5.54 -0.15 0.00 -0.87 0.16 -1.52 114.94 118.65 3cfk s ASN 209 Ca 0.25 -0.07 0.00 0.00 -1.57 0.00 0.00 52.86 51.47 3cfk s ASN 209 Cb -0.15 -1.99 0.02 0.00 -0.02 0.00 0.00 41.25 39.11 3cfk s ASN 209 CO 0.09 0.02 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.81 3cfk s VAL 210 N 1.30 1.61 -0.05 1.60 1.01 0.41 -1.23 120.40 125.05 3cfk s VAL 210 Ca 0.06 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3cfk s VAL 210 Cb -0.15 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3cfk s VAL 210 CO 0.05 0.44 -0.21 0.21 0.00 0.00 0.00 175.10 175.59 3cfk s ASN 211 N 1.47 3.44 -0.39 3.32 2.47 -0.54 -0.89 114.94 123.83 3cfk s ASN 211 Ca 0.04 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 52.95 3cfk s ASN 211 Cb -0.13 -0.71 0.13 0.00 -1.45 0.00 0.00 41.25 39.09 3cfk s ASN 211 CO -0.11 0.30 0.21 -2.28 -3.72 0.00 0.00 177.10 171.50 3cfk s HIS 212 N -0.48 1.46 0.23 0.43 5.65 0.28 -1.77 115.29 121.09 3cfk s HIS 212 Ca 0.06 -2.03 -0.06 0.00 0.25 0.00 0.00 55.06 53.28 3cfk s HIS 212 Cb -0.12 -1.50 0.31 0.00 -1.18 0.00 0.00 32.58 30.10 3cfk s HIS 212 CO 0.01 -0.81 1.84 0.87 -0.65 0.00 0.00 174.74 176.00 3cfk h LYS 213 N 7.02 0.85 -0.27 2.88 1.57 -1.82 -1.96 116.57 124.85 3cfk h LYS 213 Ca -0.00 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 3cfk h LYS 213 Cb 0.95 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3cfk h LYS 213 CO 0.40 0.56 0.21 -1.35 -0.57 0.00 0.00 179.45 178.71 3cfk h PRO 214 N 0.88 0.00 -0.28 3.15 0.11 -1.93 -1.65 132.00 132.28 3cfk h PRO 214 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3cfk h PRO 214 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3cfk h PRO 214 CO -0.18 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.48 3cfk n SER 215 N -4.29 2.74 -3.57 -2.05 3.41 -0.97 -4.97 113.62 103.92 3cfk n SER 215 Ca 0.04 -1.89 -0.27 0.00 -0.26 0.00 0.00 58.87 56.49 3cfk n SER 215 Cb 0.37 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.14 3cfk n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3cfk n ASN 216 N 0.55 -4.46 -4.64 4.04 3.02 -0.62 -4.90 115.26 108.25 3cfk n ASN 216 Ca 0.11 -0.55 -0.39 0.00 -0.03 0.00 0.00 54.58 53.72 3cfk n ASN 216 Cb 0.40 -3.62 -0.08 0.00 -0.61 0.00 0.00 39.78 35.87 3cfk n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cfk s THR 217 N -3.12 5.18 -0.09 3.41 2.01 -0.99 -4.97 115.64 117.07 3cfk s THR 217 Ca 0.51 0.66 0.05 0.00 0.31 0.00 0.00 61.69 63.21 3cfk s THR 217 Cb -0.26 -3.72 -0.00 0.00 0.01 0.00 0.00 72.50 68.53 3cfk s THR 217 CO 0.62 0.20 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.98 3cfk s LYS 218 N 1.67 2.90 -0.02 4.92 1.02 -1.26 -0.56 119.74 128.41 3cfk s LYS 218 Ca 0.17 -0.88 0.01 0.00 0.02 0.00 0.00 55.97 55.29 3cfk s LYS 218 Cb -0.15 -2.25 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 3cfk s LYS 218 CO 0.09 0.23 -0.02 0.08 -0.92 0.00 0.00 175.35 174.81 3cfk s VAL 219 N 0.21 0.25 -0.25 3.17 1.01 -0.06 -5.00 120.40 119.72 3cfk s VAL 219 Ca -0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 3cfk s VAL 219 Cb -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3cfk s VAL 219 CO 0.08 0.13 -0.02 -1.81 0.00 0.00 0.00 175.10 173.48 3cfk s ASP 220 N 0.66 4.50 -0.22 3.32 1.01 -1.26 -0.45 116.67 124.24 3cfk s ASP 220 Ca -0.07 -0.59 -0.01 0.00 0.71 0.00 0.00 52.55 52.59 3cfk s ASP 220 Cb -0.10 -1.75 0.02 0.00 1.01 0.00 0.00 42.92 42.09 3cfk s ASP 220 CO -0.01 -0.09 -0.11 -0.75 0.21 0.00 0.00 175.17 174.42 3cfk s LYS 221 N 1.44 3.00 0.06 8.23 2.47 -0.58 -4.97 119.74 129.40 3cfk s LYS 221 Ca 0.04 -0.85 -0.30 0.00 -1.56 0.00 0.00 55.97 53.29 3cfk s LYS 221 Cb -0.16 -2.83 -0.05 0.00 -1.46 0.00 0.00 37.83 33.34 3cfk s LYS 221 CO -0.02 -0.29 1.08 0.21 0.16 0.00 0.00 175.35 176.49 3cfk s LYS 222 N 1.34 4.53 -0.61 4.03 2.20 -1.26 -1.71 119.74 128.25 3cfk s LYS 222 Ca 0.03 1.60 -0.09 0.00 -0.36 0.00 0.00 55.97 57.16 3cfk s LYS 222 Cb -0.15 -3.38 0.16 0.00 -1.51 0.00 0.00 37.83 32.95 3cfk s LYS 222 CO -0.07 -0.09 0.49 0.08 -0.36 0.00 0.00 175.35 175.40 3cfk s VAL 223 N 0.74 4.46 0.00 4.02 1.01 -0.19 -4.94 120.40 125.50 3cfk s VAL 223 Ca 0.54 -2.32 -0.29 0.00 0.00 0.00 0.00 61.98 59.91 3cfk s VAL 223 Cb -0.26 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.22 3cfk s VAL 223 CO 0.30 -0.88 0.93 -1.61 0.00 0.00 0.00 175.10 173.84 3cfk s GLU 226 N 0.61 4.55 0.25 2.72 2.02 -1.26 -4.53 118.70 123.07 3cfk s GLU 226 Ca 0.12 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 56.15 3cfk s GLU 226 Cb -0.20 -3.45 -0.14 0.00 0.10 0.00 0.00 34.13 30.44 3cfk s GLU 226 CO -0.04 0.01 1.12 -2.30 0.02 0.00 0.00 175.26 174.07 3cfk n PRO 227 N 3.73 1.42 0.00 0.39 -0.02 -1.26 -4.48 135.00 134.78 3cfk n PRO 227 Ca 0.04 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 3cfk n PRO 227 Cb 0.51 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 3cfk n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11