#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 4.17 -0.02 2.62 1.01 -1.26 -4.21 120.40 122.71 3cfk s VAL 2 Ca 0.00 2.08 0.03 0.00 0.00 0.00 0.00 61.98 64.08 3cfk s VAL 2 Cb 0.00 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.06 3cfk s VAL 2 CO 0.00 0.46 -0.09 -0.54 0.00 0.00 0.00 175.10 174.93 3cfk s LYS 3 N -0.93 0.89 -0.43 2.72 1.02 -0.80 -4.99 119.74 117.23 3cfk s LYS 3 Ca 0.42 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 56.11 3cfk s LYS 3 Cb -0.25 -0.84 0.14 0.00 -0.52 0.00 0.00 37.83 36.36 3cfk s LYS 3 CO 0.31 0.15 0.26 -0.51 -0.92 0.00 0.00 175.35 174.64 3cfk s LEU 4 N 0.04 2.19 -0.43 3.17 1.43 -1.26 -1.96 118.68 121.86 3cfk s LEU 4 Ca -0.01 -2.63 -0.21 0.00 -1.03 0.00 0.00 54.13 50.25 3cfk s LEU 4 Cb -0.07 -0.82 0.02 0.00 0.03 0.00 0.00 46.19 45.35 3cfk s LEU 4 CO 0.00 -0.26 0.69 -0.76 0.23 0.00 0.00 176.35 176.26 3cfk s LEU 5 N 0.41 4.38 0.38 1.79 1.43 -0.53 -4.11 118.68 122.43 3cfk s LEU 5 Ca 0.20 -0.18 -0.14 0.00 -1.03 0.00 0.00 54.13 52.98 3cfk s LEU 5 Cb -0.19 -2.82 -0.08 0.00 0.03 0.00 0.00 46.19 43.13 3cfk s LEU 5 CO -0.03 -0.79 0.80 -1.61 0.23 0.00 0.00 176.35 174.95 3cfk s GLU 6 N 2.96 3.95 0.29 1.70 8.01 -1.26 -1.33 118.70 133.03 3cfk s GLU 6 Ca 0.25 0.69 -0.19 0.00 0.01 0.00 0.00 54.97 55.74 3cfk s GLU 6 Cb -0.13 -2.35 0.02 0.00 -4.31 0.00 0.00 34.13 27.35 3cfk s GLU 6 CO 0.19 0.02 0.69 -1.54 0.01 0.00 0.00 175.26 174.64 3cfk s SER 7 N -2.63 -0.18 0.00 -0.19 1.04 0.06 -4.84 113.70 106.96 3cfk s SER 7 Ca 0.55 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.23 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 0.23 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3cfk n GLY 8 N -0.46 0.63 3.67 7.32 0.00 -1.26 -0.92 105.19 114.16 3cfk n GLY 8 Ca -0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.35 -1.23 0.00 -0.02 0.00 -1.26 -4.67 105.19 96.65 3cfk n GLY 9 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -3.14 0.83 3.71 -0.02 0.00 0.97 -4.94 105.19 102.59 3cfk n GLY 10 Ca 0.16 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 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 4.38 0.08 0.99 2.96 -1.26 -1.72 118.68 124.11 3cfk s LEU 11 Ca 0.00 1.63 0.06 0.00 -0.22 0.00 0.00 54.13 55.60 3cfk s LEU 11 Cb 0.00 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 3cfk s LEU 11 CO 0.00 -0.23 -0.16 0.00 -1.32 0.00 0.00 176.35 174.64 3cfk s ALA 12 N 0.90 1.36 0.29 5.97 0.00 0.20 -4.96 121.76 125.53 3cfk s ALA 12 Ca 0.50 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.25 3cfk s ALA 12 Cb -0.21 -0.14 -0.09 0.00 0.00 0.00 0.00 23.12 22.68 3cfk s ALA 12 CO 0.27 0.23 0.70 -0.65 0.00 0.00 0.00 175.76 176.31 3cfk s GLN 13 N -1.77 4.01 0.30 0.00 -0.21 -1.26 -0.84 119.66 119.90 3cfk s GLN 13 Ca 0.01 0.64 -0.29 0.00 0.02 0.00 0.00 55.36 55.73 3cfk s GLN 13 Cb -0.10 -2.54 -0.12 0.00 1.00 0.00 0.00 33.01 31.25 3cfk s GLN 13 CO 0.03 0.22 1.40 -2.30 -2.12 0.00 0.00 175.29 172.52 3cfk n PRO 14 N -0.14 2.25 0.00 2.91 -0.02 -1.26 -1.66 135.00 137.07 3cfk n PRO 14 Ca 0.02 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3cfk n PRO 14 Cb 0.53 -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 1.45 2.88 3.84 -1.23 0.00 0.23 -4.89 105.19 107.47 3cfk n GLY 15 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.63 1.58 0.41 -0.02 0.00 -0.67 -3.53 107.32 103.47 3cfk s GLY 16 Ca 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 44.72 44.23 3cfk s GLY 16 CO 0.00 -0.04 0.19 -1.35 0.00 0.00 0.00 173.10 171.90 3cfk s SER 17 N -4.26 4.48 -0.24 1.64 1.04 -1.26 -2.17 113.70 112.93 3cfk s SER 17 Ca 0.63 -1.03 -0.26 0.00 0.48 0.00 0.00 55.95 55.77 3cfk s SER 17 Cb -0.13 -0.50 0.08 0.00 0.10 0.00 0.00 66.02 65.56 3cfk s SER 17 CO 0.52 -0.53 0.77 -0.22 0.98 0.00 0.00 173.24 174.75 3cfk s LEU 18 N -3.91 -0.68 -0.26 2.42 2.96 0.30 -4.97 118.68 114.53 3cfk s LEU 18 Ca 0.41 1.24 0.03 0.00 -0.22 0.00 0.00 54.13 55.59 3cfk s LEU 18 Cb 0.03 2.38 0.06 0.00 0.50 0.00 0.00 46.19 49.16 3cfk s LEU 18 CO 0.23 -0.29 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.11 3cfk s LYS 19 N 0.10 2.26 0.33 1.98 2.20 -1.26 0.77 119.74 126.11 3cfk s LYS 19 Ca -0.01 -1.34 -0.10 0.00 -0.36 0.00 0.00 55.97 54.16 3cfk s LYS 19 Cb -0.04 -2.88 -0.07 0.00 -1.51 0.00 0.00 37.83 33.33 3cfk s LYS 19 CO 0.01 -0.56 0.67 -0.51 -0.36 0.00 0.00 175.35 174.61 3cfk s LEU 20 N 1.10 3.99 0.12 5.43 1.43 0.51 -4.63 118.68 126.64 3cfk s LEU 20 Ca -0.09 1.04 -0.05 0.00 -1.03 0.00 0.00 54.13 54.00 3cfk s LEU 20 Cb -0.20 -3.87 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 3cfk s LEU 20 CO -0.05 -0.25 0.15 -0.94 0.23 0.00 0.00 176.35 175.48 3cfk s SER 21 N -2.80 0.21 -0.18 2.29 1.04 -0.10 -1.27 113.70 112.89 3cfk s SER 21 Ca 0.50 -0.97 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 3cfk s SER 21 Cb -0.11 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.44 3cfk s SER 21 CO 0.26 -0.77 0.39 0.00 0.98 0.00 0.00 173.24 174.10 3cfk s ALA 23 N 2.40 3.21 0.03 0.00 0.00 -0.44 -0.65 121.76 126.31 3cfk s ALA 23 Ca -0.02 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.21 3cfk s ALA 23 Cb -0.11 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.38 3cfk s ALA 23 CO -0.12 0.37 -0.20 0.00 0.00 0.00 0.00 175.76 175.81 3cfk s ALA 24 N -0.18 2.49 0.20 0.00 0.00 -0.16 -1.46 121.76 122.65 3cfk s ALA 24 Ca 0.05 -1.18 -0.08 0.00 0.00 0.00 0.00 51.96 50.74 3cfk s ALA 24 Cb -0.13 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 3cfk s ALA 24 CO 0.02 0.56 0.31 -1.54 0.00 0.00 0.00 175.76 175.11 3cfk s SER 25 N -1.25 0.03 0.00 0.00 1.04 -0.83 -4.80 113.70 107.89 3cfk s SER 25 Ca 0.13 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.53 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 0.03 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.90 3cfk n GLY 26 N -0.29 0.74 3.58 7.32 0.00 -1.26 -1.90 105.19 113.38 3cfk n GLY 26 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.69 -0.20 -1.29 1.61 -0.71 -1.26 -4.63 117.98 108.81 3cfk s PHE 27 Ca 0.00 -0.14 -0.18 0.00 -1.04 0.00 0.00 56.93 55.57 3cfk s PHE 27 Cb 0.00 0.49 0.03 0.00 -1.21 0.00 0.00 43.02 42.34 3cfk s PHE 27 CO 0.00 -0.98 1.85 -3.47 -1.34 0.00 0.00 175.22 171.28 3cfk n ASP 28 N -0.38 4.42 -0.33 1.98 2.03 -1.26 -4.82 116.55 118.20 3cfk n ASP 28 Ca -0.10 -2.87 0.19 0.00 0.52 0.00 0.00 54.79 52.54 3cfk n ASP 28 Cb 0.62 -1.71 0.40 0.00 -0.72 0.00 0.00 41.12 39.71 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 7.62 0.79 -1.20 -0.67 3.57 -1.95 -0.43 116.94 124.66 3cfk h PHE 29 Ca 0.44 0.04 0.35 0.00 3.53 0.00 0.00 57.97 62.33 3cfk h PHE 29 Cb 0.83 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 3cfk h PHE 29 CO 1.40 -0.13 0.87 0.00 -2.23 0.00 0.00 178.31 178.21 3cfk h ARG 30 N 0.35 0.00 0.00 1.11 3.08 -1.87 -2.40 114.38 114.65 3cfk h ARG 30 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 3cfk h ARG 30 Cb 1.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.47 3cfk h ARG 30 CO -0.59 0.00 -1.03 0.54 -1.07 0.00 0.00 179.97 177.82 3cfk n ARG 31 N -4.17 0.26 -3.90 0.04 1.74 -0.17 -4.65 116.66 105.81 3cfk n ARG 31 Ca 0.26 -0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.98 3cfk n ARG 31 Cb 1.26 -1.58 -0.05 0.00 -1.02 0.00 0.00 32.46 31.07 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 -3.18 3.56 0.47 -1.55 2.02 -0.91 -4.79 117.35 112.97 3cfk s TYR 32 Ca 0.04 0.41 -0.22 0.00 -0.37 0.00 0.00 57.07 56.94 3cfk s TYR 32 Cb 0.15 -1.87 -0.08 0.00 -0.40 0.00 0.00 41.96 39.76 3cfk s TYR 32 CO 0.81 0.68 1.11 -1.58 -1.57 0.00 0.00 175.55 174.99 3cfk s TRP 33 N -1.21 2.94 0.12 2.71 0.52 -1.25 -3.95 118.94 118.82 3cfk s TRP 33 Ca 0.23 1.57 0.07 0.00 0.02 0.00 0.00 56.10 57.99 3cfk s TRP 33 Cb -0.12 -3.25 -0.04 0.00 -1.15 0.00 0.00 33.47 28.91 3cfk s TRP 33 CO 0.13 -1.22 -0.17 -1.64 0.02 0.00 0.00 176.95 174.07 3cfk s MET 34 N -2.87 1.09 0.05 4.98 -1.94 -0.08 -2.10 119.30 118.44 3cfk s MET 34 Ca 0.65 -1.22 0.03 0.00 -1.71 0.00 0.00 55.69 53.43 3cfk s MET 34 Cb -0.24 -1.15 -0.03 0.00 2.01 0.00 0.00 34.83 35.42 3cfk s MET 34 CO 0.29 0.24 -0.09 0.99 -0.01 0.00 0.00 175.02 176.45 3cfk s THR 35 N -1.70 0.66 -0.07 2.05 2.01 0.59 -0.80 115.64 118.38 3cfk s THR 35 Ca 0.08 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 60.89 3cfk s THR 35 Cb -0.07 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 3cfk s THR 35 CO 0.04 -0.41 -0.11 0.26 -0.69 0.00 0.00 174.62 173.71 3cfk s TRP 36 N -1.62 2.80 0.05 4.92 0.52 -0.65 -1.28 118.94 123.68 3cfk s TRP 36 Ca -0.06 -0.14 0.02 0.00 0.02 0.00 0.00 56.10 55.94 3cfk s TRP 36 Cb -0.08 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 3cfk s TRP 36 CO 0.00 0.20 -0.08 0.08 0.02 0.00 0.00 176.95 177.17 3cfk s VAL 37 N -0.64 0.60 0.09 4.03 1.01 -0.27 -1.82 120.40 123.40 3cfk s VAL 37 Ca 0.09 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3cfk s VAL 37 Cb -0.11 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 3cfk s VAL 37 CO 0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 175.10 174.63 3cfk s ARG 38 N -1.75 0.81 -0.22 2.72 1.70 -0.39 0.12 118.95 121.93 3cfk s ARG 38 Ca -0.08 -1.23 -0.05 0.00 -0.47 0.00 0.00 55.73 53.91 3cfk s ARG 38 Cb -0.09 -0.31 0.08 0.00 -0.57 0.00 0.00 34.95 34.06 3cfk s ARG 38 CO 0.00 0.02 0.11 -1.14 -1.08 0.00 0.00 175.30 173.21 3cfk s GLN 39 N -3.31 0.12 0.75 3.89 0.74 -0.00 -0.48 119.66 121.37 3cfk s GLN 39 Ca 0.08 -0.28 -0.14 0.00 0.05 0.00 0.00 55.36 55.07 3cfk s GLN 39 Cb 0.01 -1.52 0.05 0.00 1.10 0.00 0.00 33.01 32.66 3cfk s GLN 39 CO -0.03 -0.83 1.17 0.00 -0.55 0.00 0.00 175.29 175.05 3cfk s ALA 40 N 2.13 2.09 0.10 1.58 0.00 -1.26 -1.54 121.76 124.85 3cfk s ALA 40 Ca 0.05 0.71 -0.33 0.00 0.00 0.00 0.00 51.96 52.39 3cfk s ALA 40 Cb -0.16 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.42 3cfk s ALA 40 CO -0.22 -1.90 1.74 -2.30 0.00 0.00 0.00 175.76 173.08 3cfk n PRO 41 N -3.00 2.43 -1.26 0.00 -0.02 -1.26 -1.78 135.00 130.11 3cfk n PRO 41 Ca 0.12 0.88 -0.09 0.00 -2.02 0.00 0.00 63.50 62.39 3cfk n PRO 41 Cb 0.51 -2.72 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 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 3.94 1.01 3.54 -1.23 0.00 -1.26 -4.98 105.19 106.21 3cfk n GLY 42 Ca 0.18 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.91 0.64 -2.09 1.61 5.02 -0.73 -5.16 118.16 115.53 3cfk n LYS 43 Ca -0.09 -3.63 -0.25 0.00 -2.02 0.00 0.00 58.31 52.33 3cfk n LYS 43 Cb 0.40 1.58 0.15 0.00 -0.02 0.00 0.00 35.03 37.15 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 -0.99 -0.45 3.81 0.72 0.00 -1.26 -4.67 105.19 102.34 3cfk n GLY 44 Ca -0.12 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 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 4.21 -0.15 0.99 1.43 -1.26 -4.25 118.68 119.65 3cfk s LEU 45 Ca 0.66 1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 55.36 3cfk s LEU 45 Cb -0.03 -4.04 0.05 0.00 0.03 0.00 0.00 46.19 42.21 3cfk s LEU 45 CO 0.45 -0.13 0.02 -0.70 0.23 0.00 0.00 176.35 176.22 3cfk s GLU 46 N -2.42 0.69 0.08 1.70 2.12 0.36 -4.99 118.70 116.24 3cfk s GLU 46 Ca 0.52 -0.25 -0.31 0.00 0.36 0.00 0.00 54.97 55.29 3cfk s GLU 46 Cb -0.15 -1.73 -0.08 0.00 0.26 0.00 0.00 34.13 32.44 3cfk s GLU 46 CO 0.20 -0.51 1.50 -0.46 -0.54 0.00 0.00 175.26 175.44 3cfk s TRP 47 N 1.88 2.85 -0.21 5.30 -0.00 -1.26 -1.27 118.94 126.24 3cfk s TRP 47 Ca 0.01 0.67 -0.16 0.00 -0.00 0.00 0.00 56.10 56.62 3cfk s TRP 47 Cb -0.15 -3.80 -0.11 0.00 -0.00 0.00 0.00 33.47 29.41 3cfk s TRP 47 CO -0.07 -3.01 -0.15 -0.89 -0.00 0.00 0.00 176.95 172.83 3cfk n ILE 48 N 4.39 1.50 -0.88 5.86 5.41 -0.76 -4.33 119.36 130.56 3cfk n ILE 48 Ca 0.14 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3cfk n ILE 48 Cb 0.42 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 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 -1.25 3.20 7.39 0.00 -1.18 0.11 105.19 114.89 3cfk n GLY 49 Ca -0.30 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.48 0.67 0.00 1.61 -1.05 0.11 -1.63 118.70 116.94 3cfk s GLU 50 Ca 0.00 -0.39 0.03 0.00 -0.15 0.00 0.00 54.97 54.46 3cfk s GLU 50 Cb 0.00 0.29 -0.01 0.00 -0.44 0.00 0.00 34.13 33.97 3cfk s GLU 50 CO 0.00 -0.19 -0.11 -1.50 0.95 0.00 0.00 175.26 174.41 3cfk s ILE 51 N -1.87 0.85 0.73 1.83 2.07 0.02 -1.15 121.20 123.68 3cfk s ILE 51 Ca -0.10 -0.58 -0.07 0.00 -1.41 0.00 0.00 60.65 58.49 3cfk s ILE 51 Cb -0.04 -0.74 0.08 0.00 0.13 0.00 0.00 42.46 41.89 3cfk s ILE 51 CO 0.00 0.16 1.05 0.54 -1.91 0.00 0.00 174.94 174.78 3cfk s ASN 52 N -0.47 4.64 0.22 4.50 4.22 -0.89 -0.90 114.94 126.26 3cfk s ASN 52 Ca 0.03 0.43 -0.11 0.00 -2.14 0.00 0.00 52.86 51.07 3cfk s ASN 52 Cb -0.05 -1.01 0.32 0.00 1.28 0.00 0.00 41.25 41.79 3cfk s ASN 52 CO -0.00 -1.72 1.64 -0.65 -2.04 0.00 0.00 177.10 174.33 3cfk h PRO 52 N -0.71 0.07 -0.45 3.55 0.11 -1.83 -2.88 132.00 129.86 3cfk h PRO 52 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cfk h PRO 52 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3cfk h PRO 52 CO 0.58 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3cfk n ASP 53 N -5.35 3.27 -1.34 -2.05 5.68 -1.26 -4.94 116.55 110.55 3cfk n ASP 53 Ca 0.10 -1.96 -0.09 0.00 -0.50 0.00 0.00 54.79 52.34 3cfk n ASP 53 Cb 0.38 -0.30 0.02 0.00 -1.14 0.00 0.00 41.12 40.08 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 1.34 -3.34 -0.02 -1.12 7.64 -1.09 -4.96 113.62 112.06 3cfk n SER 54 Ca 0.20 -0.12 0.01 0.00 1.01 0.00 0.00 58.87 59.97 3cfk n SER 54 Cb 0.56 -2.24 -0.08 0.00 -1.01 0.00 0.00 64.21 61.44 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 -2.03 1.18 -3.82 1.43 1.74 -1.26 -4.81 116.66 109.09 3cfk n ARG 55 Ca -0.04 -0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.61 3cfk n ARG 55 Cb 0.55 -1.26 -0.13 0.00 -1.02 0.00 0.00 32.46 30.59 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 -2.55 3.63 -0.26 0.55 2.01 -1.26 -5.06 115.64 112.70 3cfk s THR 56 Ca -0.04 -0.83 0.00 0.00 0.31 0.00 0.00 61.69 61.13 3cfk s THR 56 Cb 0.05 -2.88 0.08 0.00 0.01 0.00 0.00 72.50 69.76 3cfk s THR 56 CO 0.45 0.09 0.02 -0.63 -0.69 0.00 0.00 174.62 173.85 3cfk s ILE 57 N 1.44 1.30 -0.05 1.82 1.01 -1.26 -2.09 121.20 123.37 3cfk s ILE 57 Ca 0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 60.65 59.30 3cfk s ILE 57 Cb -0.17 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 3cfk s ILE 57 CO 0.00 -0.34 0.19 0.20 0.00 0.00 0.00 174.94 174.99 3cfk s ASN 58 N 1.46 6.41 0.16 3.58 0.01 -0.30 -4.93 114.94 121.33 3cfk s ASN 58 Ca 0.01 0.44 0.06 0.00 -0.71 0.00 0.00 52.86 52.67 3cfk s ASN 58 Cb -0.18 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 3cfk s ASN 58 CO -0.12 0.31 -0.13 -0.31 -1.51 0.00 0.00 177.10 175.34 3cfk s TYR 59 N -1.21 1.50 0.14 2.20 2.02 -1.26 0.10 117.35 120.83 3cfk s TYR 59 Ca 0.23 -0.61 -0.31 0.00 -0.37 0.00 0.00 57.07 56.00 3cfk s TYR 59 Cb -0.13 -0.74 -0.09 0.00 -0.40 0.00 0.00 41.96 40.60 3cfk s TYR 59 CO 0.13 0.21 1.57 1.41 -1.57 0.00 0.00 175.55 177.31 3cfk s MET 60 N -3.33 4.22 0.28 -0.62 1.75 0.31 -4.86 119.30 117.05 3cfk s MET 60 Ca 0.16 2.33 0.01 0.00 -1.25 0.00 0.00 55.69 56.94 3cfk s MET 60 Cb -0.01 -3.26 0.68 0.00 2.84 0.00 0.00 34.83 35.07 3cfk s MET 60 CO 0.04 -0.62 1.63 -1.35 -0.65 0.00 0.00 175.02 174.07 3cfk h PRO 61 N 7.14 0.15 -0.90 4.11 0.11 -1.95 0.21 132.00 140.88 3cfk h PRO 61 Ca -0.43 -0.01 0.21 0.00 0.11 0.00 0.00 66.00 65.88 3cfk h PRO 61 Cb 1.20 -0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.16 3cfk h PRO 61 CO 0.91 0.10 0.43 1.03 -0.21 0.00 0.00 178.00 180.27 3cfk h SER 62 N 0.16 0.43 -0.51 -2.05 0.87 -1.99 -2.75 113.55 107.71 3cfk h SER 62 Ca 0.54 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 61.23 3cfk h SER 62 Cb 1.08 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3cfk h SER 62 CO -0.70 0.07 0.00 0.18 -0.53 0.00 0.00 176.83 175.85 3cfk n LEU 63 N -4.98 3.39 -0.26 2.23 4.77 0.70 -4.67 117.00 118.19 3cfk n LEU 63 Ca 0.22 -1.58 0.05 0.00 -0.03 0.00 0.00 56.01 54.66 3cfk n LEU 63 Cb 0.61 -0.34 0.18 0.00 -2.33 0.00 0.00 43.42 41.55 3cfk n LEU 63 CO 0.15 0.79 1.03 0.50 -1.33 0.00 0.00 177.39 178.54 3cfk h LYS 64 N 4.03 0.47 -1.32 3.23 3.64 -1.16 -3.15 116.57 122.30 3cfk h LYS 64 Ca 0.00 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.71 3cfk h LYS 64 Cb 0.90 -0.11 -0.36 0.00 -0.41 0.00 0.00 32.23 32.26 3cfk h LYS 64 CO 0.00 0.31 -0.01 -0.40 -2.27 0.00 0.00 179.45 177.08 3cfk n ASP 65 N -4.97 6.04 0.00 4.20 5.68 -1.26 -4.23 116.55 122.00 3cfk n ASP 65 Ca 0.14 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.66 3cfk n ASP 65 Cb 0.39 -0.68 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 3cfk n ASP 65 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3cfk n LYS 66 N -0.64 0.00 -3.99 0.11 2.85 -1.22 -5.06 118.16 110.20 3cfk n LYS 66 Ca 0.49 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.39 3cfk n LYS 66 Cb 0.64 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.94 3cfk n LYS 66 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3cfk s PHE 67 N -0.32 3.34 -0.15 5.58 0.40 -1.19 -1.34 117.98 124.29 3cfk s PHE 67 Ca 0.00 0.24 0.02 0.00 -0.60 0.00 0.00 56.93 56.59 3cfk s PHE 67 Cb 0.00 -2.01 0.01 0.00 0.51 0.00 0.00 43.02 41.53 3cfk s PHE 67 CO 0.00 0.36 -0.20 0.42 0.70 0.00 0.00 175.22 176.50 3cfk s ILE 68 N -0.17 1.98 -0.15 0.64 1.01 -0.45 -4.87 121.20 119.20 3cfk s ILE 68 Ca 0.08 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.73 3cfk s ILE 68 Cb -0.12 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3cfk s ILE 68 CO 0.01 0.53 0.15 -0.63 0.00 0.00 0.00 174.94 175.00 3cfk s ILE 69 N 1.05 5.45 0.26 2.92 1.01 -1.26 -0.27 121.20 130.36 3cfk s ILE 69 Ca -0.02 0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 3cfk s ILE 69 Cb -0.14 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 3cfk s ILE 69 CO -0.07 0.54 0.32 -0.94 0.00 0.00 0.00 174.94 174.80 3cfk s SER 70 N -0.45 0.40 0.05 3.58 1.04 -0.98 -5.01 113.70 112.31 3cfk s SER 70 Ca 0.13 -1.31 -0.12 0.00 0.48 0.00 0.00 55.95 55.12 3cfk s SER 70 Cb -0.12 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3cfk s SER 70 CO 0.02 -1.05 0.27 0.00 0.98 0.00 0.00 173.24 173.46 3cfk s ARG 71 N -3.81 0.78 -0.35 4.02 1.70 -1.26 -0.11 118.95 119.92 3cfk s ARG 71 Ca 0.32 -0.56 0.01 0.00 -0.47 0.00 0.00 55.73 55.03 3cfk s ARG 71 Cb 0.03 0.34 0.11 0.00 -0.57 0.00 0.00 34.95 34.85 3cfk s ARG 71 CO 0.15 -0.25 0.14 0.34 -1.08 0.00 0.00 175.30 174.59 3cfk s ASP 72 N -2.11 4.00 0.53 -2.89 -1.08 0.48 -4.99 116.67 110.61 3cfk s ASP 72 Ca -0.04 -2.00 0.26 0.00 -0.52 0.00 0.00 52.55 50.24 3cfk s ASP 72 Cb -0.01 -1.01 1.51 0.00 -1.46 0.00 0.00 42.92 41.96 3cfk s ASP 72 CO -0.04 -0.37 2.12 0.78 0.52 0.00 0.00 175.17 178.19 3cfk h ASN 73 N 7.61 0.00 0.97 -0.34 2.35 -1.92 -1.16 115.58 123.09 3cfk h ASN 73 Ca -0.09 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 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 0.09 -0.24 0.00 -1.65 0.00 0.00 177.43 176.11 3cfk h ALA 74 N 1.91 1.00 -0.53 -0.83 0.00 -1.95 -2.88 119.26 115.99 3cfk h ALA 74 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3cfk h ALA 74 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3cfk h ALA 74 CO 0.01 0.30 0.00 1.63 0.00 0.00 0.00 179.25 181.19 3cfk n LYS 75 N -3.38 2.94 -4.26 0.00 5.02 -0.49 -4.97 118.16 113.02 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 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.95 -0.26 -4.12 4.39 3.02 -0.92 -4.72 115.26 113.61 3cfk n ASN 76 Ca 0.19 -1.18 -0.20 0.00 -0.03 0.00 0.00 54.58 53.36 3cfk n ASN 76 Cb 0.59 -2.06 -0.14 0.00 -0.61 0.00 0.00 39.78 37.56 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 -4.08 1.56 0.03 6.41 0.01 -0.94 -0.99 113.70 115.71 3cfk s SER 77 Ca 0.22 -0.39 0.07 0.00 1.31 0.00 0.00 55.95 57.16 3cfk s SER 77 Cb -0.13 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.96 3cfk s SER 77 CO 0.97 0.06 -0.19 -0.22 0.41 0.00 0.00 173.24 174.27 3cfk s LEU 78 N -0.91 2.54 0.08 2.44 2.96 0.18 -0.39 118.68 125.58 3cfk s LEU 78 Ca 0.02 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 3cfk s LEU 78 Cb -0.07 -1.49 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 3cfk s LEU 78 CO 0.01 0.27 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.83 3cfk s TYR 79 N -0.87 1.46 -0.11 5.38 2.02 0.84 -0.64 117.35 125.43 3cfk s TYR 79 Ca 0.14 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.37 3cfk s TYR 79 Cb -0.10 -0.81 0.04 0.00 -0.40 0.00 0.00 41.96 40.69 3cfk s TYR 79 CO 0.04 0.12 0.05 -1.17 -1.57 0.00 0.00 175.55 173.01 3cfk s LEU 80 N -1.79 0.54 -0.24 -1.29 2.96 -0.40 -2.32 118.68 116.15 3cfk s LEU 80 Ca 0.02 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.47 3cfk s LEU 80 Cb -0.10 -0.35 -0.05 0.00 0.50 0.00 0.00 46.19 46.19 3cfk s LEU 80 CO 0.03 -0.27 0.23 -1.58 -1.32 0.00 0.00 176.35 173.44 3cfk s GLN 81 N 2.04 4.07 -0.12 1.98 0.74 0.63 -0.37 119.66 128.63 3cfk s GLN 81 Ca 0.03 -0.16 -0.04 0.00 0.05 0.00 0.00 55.36 55.24 3cfk s GLN 81 Cb -0.14 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 3cfk s GLN 81 CO -0.06 -0.02 0.02 -0.51 -0.55 0.00 0.00 175.29 174.17 3cfk s LEU 82 N 1.30 3.67 0.28 3.68 1.43 0.23 -1.34 118.68 127.92 3cfk s LEU 82 Ca 0.10 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 3cfk s LEU 82 Cb -0.14 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3cfk s LEU 82 CO 0.07 0.31 0.15 -0.94 0.23 0.00 0.00 176.35 176.17 3cfk s SER 82 N -0.46 1.22 -1.36 2.29 1.04 -0.45 -0.54 113.70 115.43 3cfk s SER 82 Ca 0.09 -1.51 -0.07 0.00 0.48 0.00 0.00 55.95 54.93 3cfk s SER 82 Cb -0.12 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3cfk s SER 82 CO 0.02 -0.87 0.45 0.54 0.98 0.00 0.00 173.24 174.36 3cfk n ARG 82 N -0.51 -2.25 -2.30 4.02 1.74 -1.23 -4.84 116.66 111.29 3cfk n ARG 82 Ca 0.02 0.33 -0.42 0.00 -0.77 0.00 0.00 57.85 57.01 3cfk n ARG 82 Cb 0.65 -4.11 -0.03 0.00 -1.02 0.00 0.00 32.46 27.95 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 -6.99 4.40 0.31 0.55 1.43 -0.92 -4.70 118.68 112.76 3cfk s LEU 82 Ca 0.14 2.24 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 3cfk s LEU 82 Cb -0.06 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.50 3cfk s LEU 82 CO 0.91 -0.50 -0.01 -0.13 0.23 0.00 0.00 176.35 176.85 3cfk s ARG 83 N 0.43 1.65 0.51 1.70 0.52 -1.26 0.76 118.95 123.26 3cfk s ARG 83 Ca 0.58 -1.88 0.16 0.00 -0.52 0.00 0.00 55.73 54.07 3cfk s ARG 83 Cb -0.34 -1.14 1.25 0.00 0.52 0.00 0.00 34.95 35.24 3cfk s ARG 83 CO 0.34 -0.05 2.12 0.66 0.02 0.00 0.00 175.30 178.39 3cfk h SER 84 N 2.14 0.04 0.05 0.23 4.64 -1.97 0.96 113.55 119.64 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 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3cfk h SER 84 CO 0.70 0.03 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.35 3cfk h GLU 85 N 0.05 0.00 -0.00 4.77 5.08 -1.96 -1.35 114.58 121.17 3cfk h GLU 85 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3cfk h GLU 85 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3cfk h GLU 85 CO -0.00 0.01 -0.03 -0.25 -1.00 0.00 0.00 179.01 177.74 3cfk n ASP 86 N -3.45 0.06 -4.67 1.42 8.00 0.33 -4.82 116.55 113.41 3cfk n ASP 86 Ca -0.03 0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 3cfk n ASP 86 Cb 0.09 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 40.83 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 -2.74 6.64 -0.00 -2.24 0.01 -0.51 -4.88 113.70 109.97 3cfk s SER 87 Ca 0.22 2.37 -0.30 0.00 1.31 0.00 0.00 55.95 59.56 3cfk s SER 87 Cb 0.20 -2.55 0.11 0.00 0.21 0.00 0.00 66.02 63.99 3cfk s SER 87 CO 0.50 -0.91 1.26 0.00 0.41 0.00 0.00 173.24 174.50 3cfk s ALA 88 N 3.38 -2.20 -0.09 1.44 0.00 -0.53 -4.50 121.76 119.26 3cfk s ALA 88 Ca 0.74 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 53.07 3cfk s ALA 88 Cb -0.37 0.42 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3cfk s ALA 88 CO 0.31 -1.06 0.68 -0.51 0.00 0.00 0.00 175.76 175.18 3cfk s LEU 89 N -3.04 4.29 -0.22 0.00 1.43 -0.59 -1.25 118.68 119.30 3cfk s LEU 89 Ca 0.15 1.11 -0.05 0.00 -1.03 0.00 0.00 54.13 54.31 3cfk s LEU 89 Cb 0.04 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 3cfk s LEU 89 CO -0.03 -0.14 0.01 -0.31 0.23 0.00 0.00 176.35 176.12 3cfk s TYR 90 N 0.97 3.04 -0.14 0.29 1.51 -0.68 -0.82 117.35 121.51 3cfk s TYR 90 Ca 0.35 -0.51 -0.04 0.00 -1.01 0.00 0.00 57.07 55.86 3cfk s TYR 90 Cb -0.17 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.52 3cfk s TYR 90 CO 0.16 -0.31 -0.03 0.71 -1.11 0.00 0.00 175.55 174.98 3cfk s TYR 91 N 1.21 3.06 -0.18 2.71 2.02 0.32 -1.58 117.35 124.91 3cfk s TYR 91 Ca 0.03 -0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 3cfk s TYR 91 Cb -0.15 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 39.48 3cfk s TYR 91 CO 0.01 0.06 1.02 0.00 -1.57 0.00 0.00 175.55 175.08 3cfk s VAL 93 N 2.68 0.57 -0.08 0.00 1.01 -0.40 0.17 120.40 124.35 3cfk s VAL 93 Ca 0.46 -0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 3cfk s VAL 93 Cb -0.16 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3cfk s VAL 93 CO 0.11 0.20 0.58 -0.60 0.00 0.00 0.00 175.10 175.39 3cfk s ARG 94 N 0.45 4.36 -0.28 2.72 3.52 -0.04 -0.30 118.95 129.38 3cfk s ARG 94 Ca -0.06 0.66 -0.09 0.00 -0.13 0.00 0.00 55.73 56.10 3cfk s ARG 94 Cb -0.10 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3cfk s ARG 94 CO 0.00 0.18 0.14 -1.17 -0.81 0.00 0.00 175.30 173.63 3cfk s LEU 95 N 0.50 3.86 -0.34 -0.88 2.96 -0.89 -1.59 118.68 122.29 3cfk s LEU 95 Ca 0.31 -0.27 -0.18 0.00 -0.22 0.00 0.00 54.13 53.77 3cfk s LEU 95 Cb -0.17 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 3cfk s LEU 95 CO 0.14 -0.10 0.53 -0.62 -1.32 0.00 0.00 176.35 174.99 3cfk s ASP 96 N 1.66 6.35 0.21 3.68 2.15 0.52 -3.76 116.67 127.48 3cfk s ASP 96 Ca 0.06 0.08 0.03 0.00 0.43 0.00 0.00 52.55 53.15 3cfk s ASP 96 Cb -0.16 -2.28 -0.03 0.00 -0.30 0.00 0.00 42.92 40.15 3cfk s ASP 96 CO 0.07 -0.47 0.35 0.12 -0.17 0.00 0.00 175.17 175.07 3cfk s PHE 97 N 2.44 3.47 -0.34 -5.34 5.36 -1.26 -1.38 117.98 120.92 3cfk s PHE 97 Ca 0.20 0.10 -0.05 0.00 -0.96 0.00 0.00 56.93 56.22 3cfk s PHE 97 Cb -0.15 -1.66 0.19 0.00 -0.34 0.00 0.00 43.02 41.05 3cfk s PHE 97 CO 0.13 0.43 0.93 0.34 -1.46 0.00 0.00 175.22 175.60 3cfk s ASP 98 N -3.63 -0.66 0.22 6.13 -1.08 -1.26 -4.93 116.67 111.46 3cfk s ASP 98 Ca 0.35 -0.30 -0.08 0.00 -0.52 0.00 0.00 52.55 51.99 3cfk s ASP 98 Cb -0.10 0.88 0.34 0.00 -1.46 0.00 0.00 42.92 42.58 3cfk s ASP 98 CO 0.29 -0.08 1.70 0.58 0.52 0.00 0.00 175.17 178.19 3cfk h VAL 99 N 3.92 0.62 -0.79 1.11 2.07 -1.98 -2.66 116.25 118.53 3cfk h VAL 99 Ca -0.02 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3cfk h VAL 99 Cb 1.22 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3cfk h VAL 99 CO -0.03 0.05 0.52 1.88 0.02 0.00 0.00 177.57 180.01 3cfk h TYR 100 N 0.28 0.92 -0.41 1.57 0.05 -2.06 -2.40 116.97 114.91 3cfk h TYR 100 Ca 0.34 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.14 3cfk h TYR 100 Cb 0.52 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.96 3cfk h TYR 100 CO -0.24 0.52 0.00 0.09 -1.05 0.00 0.00 178.16 177.47 3cfk n ASN 100 N -4.46 3.29 -2.77 3.88 3.02 -1.12 -5.26 115.26 111.84 3cfk n ASN 100 Ca 0.11 -1.94 -0.01 0.00 -0.03 0.00 0.00 54.58 52.71 3cfk n ASN 100 Cb 0.15 -0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.04 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 1.22 -3.53 0.00 3.10 8.25 -0.91 -5.09 115.22 118.26 3cfk n HIS 100 Ca 0.17 1.67 0.00 0.00 -0.26 0.00 0.00 57.72 59.30 3cfk n HIS 100 Cb 0.54 -3.58 0.00 0.00 1.12 0.00 0.00 29.99 28.07 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 1.00 0.00 -4.77 4.41 4.02 -1.26 -5.04 117.16 115.52 3cfk n TYR 100 Ca -0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.58 3cfk n TYR 100 Cb 0.17 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.34 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 1.29 -0.87 -0.72 1.01 -0.48 -4.97 120.40 115.66 3cfk s VAL 100 Ca 0.00 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 3cfk s VAL 100 Cb 0.00 -1.07 0.10 0.00 0.00 0.00 0.00 36.38 35.40 3cfk s VAL 100 CO 0.00 0.37 1.15 -0.76 0.00 0.00 0.00 175.10 175.85 3cfk s LEU 100 N -0.37 4.53 -0.21 3.92 1.43 -1.26 -0.36 118.68 126.37 3cfk s LEU 100 Ca 0.06 -1.60 -0.08 0.00 -1.03 0.00 0.00 54.13 51.47 3cfk s LEU 100 Cb -0.06 -2.44 -0.19 0.00 0.03 0.00 0.00 46.19 43.52 3cfk s LEU 100 CO -0.01 -1.27 0.02 -0.90 0.23 0.00 0.00 176.35 174.43 3cfk n ASP 101 N 7.38 2.00 -4.42 2.29 5.75 -0.62 -4.88 116.55 124.05 3cfk n ASP 101 Ca 0.18 0.17 -0.33 0.00 -0.01 0.00 0.00 54.79 54.79 3cfk n ASP 101 Cb 0.48 -0.74 -0.14 0.00 -1.03 0.00 0.00 41.12 39.70 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 -2.50 2.84 -0.03 2.11 2.02 -1.24 -5.00 117.35 115.55 3cfk s TYR 102 Ca -0.30 -0.47 0.07 0.00 -0.37 0.00 0.00 57.07 55.99 3cfk s TYR 102 Cb 0.09 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 3cfk s TYR 102 CO 0.63 -0.09 -0.24 -1.58 -1.57 0.00 0.00 175.55 172.70 3cfk s TRP 103 N 0.14 2.40 0.94 2.71 0.52 -1.26 -0.86 118.94 123.51 3cfk s TRP 103 Ca -0.05 -0.46 -0.12 0.00 0.02 0.00 0.00 56.10 55.49 3cfk s TRP 103 Cb -0.15 -1.54 0.15 0.00 -1.15 0.00 0.00 33.47 30.79 3cfk s TRP 103 CO 0.04 -0.04 1.12 0.20 0.02 0.00 0.00 176.95 178.29 3cfk s GLY 104 N -0.54 1.57 0.43 0.98 0.00 0.13 -4.86 107.32 105.03 3cfk s GLY 104 Ca 0.08 -0.44 0.24 0.00 0.00 0.00 0.00 44.72 44.59 3cfk s GLY 104 CO 0.00 0.13 1.72 1.46 0.00 0.00 0.00 173.10 176.41 3cfk h GLN 105 N -1.62 0.00 0.00 2.90 4.20 -1.89 -3.44 115.11 115.27 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 1.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.11 3cfk h GLN 105 CO 0.60 0.20 0.00 0.41 -0.67 0.00 0.00 178.83 179.37 3cfk n GLY 106 N 0.57 1.96 3.26 3.46 0.00 -1.26 -4.98 105.19 108.20 3cfk n GLY 106 Ca 0.01 -1.76 -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 -2.35 1.93 0.07 2.61 -1.32 -0.62 -4.87 115.64 111.09 3cfk s THR 107 Ca 0.00 -1.02 -0.27 0.00 -1.21 0.00 0.00 61.69 59.19 3cfk s THR 107 Cb 0.00 -1.62 -0.06 0.00 -1.51 0.00 0.00 72.50 69.32 3cfk s THR 107 CO 0.00 0.54 0.84 -0.55 -2.21 0.00 0.00 174.62 173.24 3cfk s SER 108 N -0.36 7.32 -0.11 8.08 0.15 -1.26 -1.69 113.70 125.83 3cfk s SER 108 Ca 0.03 1.58 0.02 0.00 0.70 0.00 0.00 55.95 58.28 3cfk s SER 108 Cb -0.11 -2.51 0.01 0.00 -1.71 0.00 0.00 66.02 61.70 3cfk s SER 108 CO 0.01 -0.02 -0.18 -0.69 1.20 0.00 0.00 173.24 173.57 3cfk s VAL 109 N -0.03 1.69 -0.11 4.45 1.01 -0.38 -0.02 120.40 127.00 3cfk s VAL 109 Ca 0.42 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3cfk s VAL 109 Cb -0.22 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.65 3cfk s VAL 109 CO 0.26 0.48 -0.23 -0.89 0.00 0.00 0.00 175.10 174.72 3cfk s THR 110 N 0.86 1.98 -0.34 3.92 2.01 -0.70 -1.45 115.64 121.93 3cfk s THR 110 Ca -0.08 -0.97 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 3cfk s THR 110 Cb -0.15 -1.73 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 3cfk s THR 110 CO -0.00 0.54 0.19 -0.69 -0.69 0.00 0.00 174.62 173.97 3cfk s VAL 111 N 0.47 4.79 -0.20 3.82 1.01 -1.26 -0.62 120.40 128.41 3cfk s VAL 111 Ca -0.16 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.05 3cfk s VAL 111 Cb -0.17 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.82 3cfk s VAL 111 CO 0.06 -0.04 0.99 -0.55 0.00 0.00 0.00 175.10 175.56 3cfk s SER 112 N 1.63 -0.42 0.00 3.32 0.15 -0.02 -4.46 113.70 113.90 3cfk s SER 112 Ca 0.04 0.59 0.25 0.00 0.70 0.00 0.00 55.95 57.53 3cfk s SER 112 Cb -0.18 0.53 0.78 0.00 -1.71 0.00 0.00 66.02 65.44 3cfk s SER 112 CO 0.07 -0.29 1.58 -1.54 1.20 0.00 0.00 173.24 174.27 3cfk n SER 113 N 1.27 1.94 -4.76 5.45 3.41 -1.26 -4.07 113.62 115.60 3cfk n SER 113 Ca -0.12 -1.68 -0.35 0.00 -0.26 0.00 0.00 58.87 56.47 3cfk n SER 113 Cb 0.57 -0.06 0.03 0.00 -0.26 0.00 0.00 64.21 64.49 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 -1.89 2.54 0.40 7.33 0.00 -1.26 -5.04 121.76 123.85 3cfk s ALA 114 Ca 0.35 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3cfk s ALA 114 Cb 0.20 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 3cfk s ALA 114 CO 0.31 -1.10 0.62 -1.54 0.00 0.00 0.00 175.76 174.04 3cfk s SER 115 N -1.98 6.05 0.53 0.00 1.04 -1.26 -5.06 113.70 113.02 3cfk s SER 115 Ca 0.72 0.37 -0.21 0.00 0.48 0.00 0.00 55.95 57.31 3cfk s SER 115 Cb -0.25 -1.76 -0.06 0.00 0.10 0.00 0.00 66.02 64.05 3cfk s SER 115 CO 0.34 -0.51 1.22 -0.89 0.98 0.00 0.00 173.24 174.38 3cfk s THR 116 N -2.45 2.71 -0.09 2.02 2.01 -1.26 -4.80 115.64 113.78 3cfk s THR 116 Ca 0.45 0.50 -0.04 0.00 0.31 0.00 0.00 61.69 62.91 3cfk s THR 116 Cb -0.10 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 69.22 3cfk s THR 116 CO 0.37 -0.04 0.19 -0.75 -0.69 0.00 0.00 174.62 173.70 3cfk s LYS 117 N -2.97 0.11 0.55 4.92 2.20 0.35 -4.93 119.74 119.97 3cfk s LYS 117 Ca 0.70 0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 56.66 3cfk s LYS 117 Cb -0.32 -0.17 -0.06 0.00 -1.51 0.00 0.00 37.83 35.77 3cfk s LYS 117 CO 0.37 -0.22 1.04 0.20 -0.36 0.00 0.00 175.35 176.38 3cfk s GLY 118 N 1.71 2.23 0.48 5.54 0.00 -1.26 -1.15 107.32 114.87 3cfk s GLY 118 Ca -0.04 0.43 -0.15 0.00 0.00 0.00 0.00 44.72 44.96 3cfk s GLY 118 CO -0.07 0.74 0.92 2.56 0.00 0.00 0.00 173.10 177.26 3cfk s PRO 119 N -3.83 3.89 0.12 2.90 0.04 -1.26 -4.52 135.00 132.34 3cfk s PRO 119 Ca 0.64 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.36 3cfk s PRO 119 Cb -0.15 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 3cfk s PRO 119 CO 0.31 -0.21 0.48 -1.12 0.04 0.00 0.00 177.00 176.51 3cfk s SER 120 N -3.12 6.74 -0.18 6.66 0.01 -0.11 -4.92 113.70 118.77 3cfk s SER 120 Ca 0.56 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.77 3cfk s SER 120 Cb -0.10 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 63.91 3cfk s SER 120 CO 0.32 0.13 -0.17 -0.69 0.41 0.00 0.00 173.24 173.23 3cfk s VAL 121 N -1.45 2.31 -0.04 3.43 1.01 -1.26 -0.73 120.40 123.67 3cfk s VAL 121 Ca 0.36 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3cfk s VAL 121 Cb -0.14 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3cfk s VAL 121 CO 0.19 0.52 -0.24 -0.36 0.00 0.00 0.00 175.10 175.20 3cfk s PHE 122 N 1.25 2.32 0.41 5.22 0.08 0.13 -4.95 117.98 122.44 3cfk s PHE 122 Ca 0.03 -0.61 -0.25 0.00 0.12 0.00 0.00 56.93 56.22 3cfk s PHE 122 Cb -0.14 -1.52 -0.08 0.00 -0.57 0.00 0.00 43.02 40.72 3cfk s PHE 122 CO -0.10 -0.16 1.19 -1.25 -0.10 0.00 0.00 175.22 174.80 3cfk s PRO 123 N -0.28 4.02 -0.73 0.24 0.04 -1.26 0.27 135.00 137.30 3cfk s PRO 123 Ca 0.00 1.87 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 3cfk s PRO 123 Cb -0.12 -2.66 0.19 0.00 0.04 0.00 0.00 34.50 31.94 3cfk s PRO 123 CO 0.02 -0.36 0.59 -0.51 0.04 0.00 0.00 177.00 176.78 3cfk s LEU 124 N -2.53 5.70 0.26 -3.56 1.43 0.27 -4.77 118.68 115.48 3cfk s LEU 124 Ca 0.58 -2.97 -0.30 0.00 -1.03 0.00 0.00 54.13 50.41 3cfk s LEU 124 Cb -0.31 -1.96 -0.10 0.00 0.03 0.00 0.00 46.19 43.84 3cfk s LEU 124 CO 0.39 -0.39 1.43 0.00 0.23 0.00 0.00 176.35 178.02 3cfk s ALA 125 N -0.24 3.61 0.54 4.21 0.00 -1.26 -1.48 121.76 127.14 3cfk s ALA 125 Ca 0.19 1.34 -0.10 0.00 0.00 0.00 0.00 51.96 53.39 3cfk s ALA 125 Cb -0.16 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 3cfk s ALA 125 CO -0.06 -0.75 0.92 -1.25 0.00 0.00 0.00 175.76 174.62 3cfk s PRO 126 N -0.61 3.63 -0.04 0.00 0.04 -1.25 -4.87 135.00 131.90 3cfk s PRO 126 Ca 0.58 0.57 0.02 0.00 0.04 0.00 0.00 61.00 62.21 3cfk s PRO 126 Cb -0.42 -2.21 0.01 0.00 0.04 0.00 0.00 34.50 31.92 3cfk s PRO 126 CO 0.45 -0.37 -0.08 0.45 0.04 0.00 0.00 177.00 177.49 3cfk s SER 127 N -3.95 1.16 0.57 6.66 0.15 -1.26 -2.03 113.70 115.01 3cfk s SER 127 Ca 0.53 -0.18 0.30 0.00 0.70 0.00 0.00 55.95 57.30 3cfk s SER 127 Cb -0.11 -0.43 1.45 0.00 -1.71 0.00 0.00 66.02 65.22 3cfk s SER 127 CO 0.47 0.02 1.85 -1.28 1.20 0.00 0.00 173.24 175.50 3cfk h SER 128 N 6.73 0.00 0.41 5.45 0.87 -1.97 -0.42 113.55 124.62 3cfk h SER 128 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3cfk h SER 128 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3cfk h SER 128 CO 0.48 0.00 -0.31 0.29 -0.53 0.00 0.00 176.83 176.76 3cfk n LYS 129 N -3.91 0.44 -2.80 2.24 5.02 -1.26 -4.46 118.16 113.43 3cfk n LYS 129 Ca 0.14 -0.23 -0.30 0.00 -2.02 0.00 0.00 58.31 55.90 3cfk n LYS 129 Cb 0.86 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.35 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 -1.08 5.12 -4.87 4.39 7.64 -0.16 -5.05 113.62 119.62 3cfk n SER 130 Ca 0.10 -3.70 -0.31 0.00 1.01 0.00 0.00 58.87 55.96 3cfk n SER 130 Cb 0.33 -0.67 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 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 -4.60 5.11 -0.09 0.44 -4.23 -1.26 -4.64 115.64 106.38 3cfk s THR 133 Ca 0.47 -0.45 -0.07 0.00 -1.18 0.00 0.00 61.69 60.46 3cfk s THR 133 Cb 0.28 -3.46 0.03 0.00 1.34 0.00 0.00 72.50 70.70 3cfk s THR 133 CO -0.15 0.19 0.22 -0.55 -0.54 0.00 0.00 174.62 173.79 3cfk s SER 134 N -2.31 -0.23 -1.48 3.99 0.15 -0.43 -4.88 113.70 108.50 3cfk s SER 134 Ca 0.31 0.46 -0.09 0.00 0.70 0.00 0.00 55.95 57.33 3cfk s SER 134 Cb -0.13 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.67 3cfk s SER 134 CO 0.24 -0.10 0.80 0.61 1.20 0.00 0.00 173.24 175.99 3cfk n GLY 135 N 3.33 -0.40 2.58 9.45 0.00 -1.26 -1.03 105.19 117.86 3cfk n GLY 135 Ca -0.16 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.24 3.28 -0.02 0.00 -1.26 -4.99 105.19 101.77 3cfk n GLY 136 Ca -0.10 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.23 1.38 -0.02 2.61 -4.23 -0.20 -2.36 115.64 110.58 3cfk s THR 137 Ca 0.00 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.50 3cfk s THR 137 Cb 0.00 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 3cfk s THR 137 CO 0.00 -0.63 -0.06 0.00 -0.54 0.00 0.00 174.62 173.39 3cfk s ALA 138 N -2.96 3.03 -0.03 3.99 0.00 0.87 -1.31 121.76 125.35 3cfk s ALA 138 Ca 0.17 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3cfk s ALA 138 Cb -0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3cfk s ALA 138 CO 0.03 0.60 -0.17 0.00 0.00 0.00 0.00 175.76 176.22 3cfk s ALA 139 N -0.94 2.57 0.11 0.00 0.00 -1.26 -0.94 121.76 121.30 3cfk s ALA 139 Ca 0.16 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.01 3cfk s ALA 139 Cb -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 3cfk s ALA 139 CO 0.06 0.56 0.16 -0.48 0.00 0.00 0.00 175.76 176.05 3cfk s LEU 140 N -0.84 1.52 0.00 0.00 0.05 0.06 -3.97 118.68 115.50 3cfk s LEU 140 Ca 0.12 -0.86 -0.08 0.00 0.05 0.00 0.00 54.13 53.35 3cfk s LEU 140 Cb -0.10 0.83 0.03 0.00 -2.05 0.00 0.00 46.19 44.89 3cfk s LEU 140 CO 0.01 -0.76 0.39 0.61 -0.55 0.00 0.00 176.35 176.05 3cfk n GLY 141 N -0.08 0.75 2.99 -3.48 0.00 -0.55 0.40 105.19 105.22 3cfk n GLY 141 Ca -0.11 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.75 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 0.41 4.32 -0.49 0.00 2.96 0.14 -1.51 118.68 124.51 3cfk s LEU 143 Ca -0.07 -0.02 -0.14 0.00 -0.22 0.00 0.00 54.13 53.68 3cfk s LEU 143 Cb -0.11 -2.48 0.10 0.00 0.50 0.00 0.00 46.19 44.19 3cfk s LEU 143 CO 0.01 -0.38 0.41 -0.69 -1.32 0.00 0.00 176.35 174.38 3cfk s VAL 144 N 2.21 4.99 0.02 1.68 1.01 0.10 -0.69 120.40 129.72 3cfk s VAL 144 Ca 0.16 -1.33 0.08 0.00 0.00 0.00 0.00 61.98 60.90 3cfk s VAL 144 Cb -0.16 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3cfk s VAL 144 CO 0.12 -0.69 -0.26 -0.75 0.00 0.00 0.00 175.10 173.53 3cfk s LYS 145 N 1.57 1.96 -0.70 2.72 2.20 0.10 -0.81 119.74 126.78 3cfk s LYS 145 Ca 0.04 -1.02 -0.04 0.00 -0.36 0.00 0.00 55.97 54.59 3cfk s LYS 145 Cb -0.26 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 3cfk s LYS 145 CO 0.04 0.54 0.62 -0.25 -0.36 0.00 0.00 175.35 175.94 3cfk n ASP 146 N 2.05 -5.35 -4.41 1.43 8.00 -0.52 -0.93 116.55 116.83 3cfk n ASP 146 Ca -0.16 -0.44 -0.21 0.00 0.71 0.00 0.00 54.79 54.68 3cfk n ASP 146 Cb 0.52 -3.82 -0.10 0.00 -0.02 0.00 0.00 41.12 37.70 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 2.00 -0.27 1.24 1.13 -0.62 -4.21 117.35 113.37 3cfk s TYR 147 Ca 0.28 -0.46 -0.23 0.00 -1.41 0.00 0.00 57.07 55.26 3cfk s TYR 147 Cb -0.04 -0.90 0.08 0.00 -1.10 0.00 0.00 41.96 40.00 3cfk s TYR 147 CO 0.52 0.54 0.73 0.12 -2.51 0.00 0.00 175.55 174.95 3cfk s PHE 148 N -2.75 -0.83 0.38 -3.49 5.36 -0.30 -0.70 117.98 115.65 3cfk s PHE 148 Ca 0.26 1.92 -0.01 0.00 -0.96 0.00 0.00 56.93 58.14 3cfk s PHE 148 Cb -0.03 0.36 0.08 0.00 -0.34 0.00 0.00 43.02 43.09 3cfk s PHE 148 CO 0.11 -0.41 0.52 -0.35 -1.46 0.00 0.00 175.22 173.63 3cfk n PRO 149 N 3.06 0.13 -0.93 10.12 -0.04 -1.26 -0.50 135.00 145.59 3cfk n PRO 149 Ca -0.15 -1.31 -0.31 0.00 -0.04 0.00 0.00 63.50 61.69 3cfk n PRO 149 Cb 0.56 -0.38 0.14 0.00 -0.04 0.00 0.00 33.50 33.78 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 -3.83 1.43 0.45 0.54 0.41 -1.26 -4.76 118.70 111.68 3cfk s GLU 150 Ca 0.34 1.34 0.08 0.00 -0.41 0.00 0.00 54.97 56.32 3cfk s GLU 150 Cb -0.02 -1.79 0.02 0.00 -1.78 0.00 0.00 34.13 30.56 3cfk s GLU 150 CO 0.22 -2.28 0.55 -1.25 -0.49 0.00 0.00 175.26 172.02 3cfk s PRO 151 N -4.75 2.64 0.07 0.39 0.04 -1.26 -4.96 135.00 127.17 3cfk s PRO 151 Ca 0.64 -1.42 0.08 0.00 0.04 0.00 0.00 61.00 60.34 3cfk s PRO 151 Cb -0.20 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 3cfk s PRO 151 CO 0.57 -0.37 -0.18 0.14 0.04 0.00 0.00 177.00 177.20 3cfk s VAL 152 N -2.46 2.79 -0.09 -0.36 -7.23 -1.26 -4.52 120.40 107.27 3cfk s VAL 152 Ca 0.53 -1.31 -0.03 0.00 -1.81 0.00 0.00 61.98 59.36 3cfk s VAL 152 Cb -0.07 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.62 3cfk s VAL 152 CO 0.32 0.25 0.06 0.42 -0.31 0.00 0.00 175.10 175.84 3cfk s THR 153 N -1.00 4.75 -0.03 5.32 -4.23 -0.78 -4.99 115.64 114.68 3cfk s THR 153 Ca 0.16 -0.10 0.04 0.00 -1.18 0.00 0.00 61.69 60.61 3cfk s THR 153 Cb -0.10 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 3cfk s THR 153 CO 0.07 0.59 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.90 3cfk s VAL 154 N -0.96 1.26 0.22 2.29 1.01 -1.26 -1.82 120.40 121.15 3cfk s VAL 154 Ca 0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 3cfk s VAL 154 Cb -0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 3cfk s VAL 154 CO 0.04 0.36 0.25 -0.94 0.00 0.00 0.00 175.10 174.81 3cfk s SER 156 N -0.09 0.12 -0.13 3.32 1.04 -0.40 -4.98 113.70 112.59 3cfk s SER 156 Ca -0.00 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.20 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 0.00 173.24 173.31 3cfk s TRP 157 N -4.07 2.64 -1.20 5.02 0.52 -1.26 0.08 118.94 120.66 3cfk s TRP 157 Ca 0.34 -1.28 -0.08 0.00 0.02 0.00 0.00 56.10 55.10 3cfk s TRP 157 Cb 0.04 -1.79 -0.02 0.00 -1.15 0.00 0.00 33.47 30.56 3cfk s TRP 157 CO 0.12 -0.57 0.78 0.09 0.02 0.00 0.00 176.95 177.39 3cfk n ASN 162 N 3.95 -3.67 -3.17 2.95 3.02 0.48 -2.03 115.26 116.79 3cfk n ASN 162 Ca -0.20 -0.85 -0.20 0.00 -0.03 0.00 0.00 54.58 53.30 3cfk n ASN 162 Cb 0.52 -4.13 -0.00 0.00 -0.61 0.00 0.00 39.78 35.56 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 -2.98 -3.61 0.00 6.41 7.64 -1.26 -1.05 113.62 118.77 3cfk n SER 163 Ca -0.19 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.44 3cfk n SER 163 Cb 0.64 -3.01 0.00 0.00 -1.01 0.00 0.00 64.21 60.83 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 -1.08 1.16 0.24 0.23 0.00 -0.90 -4.91 105.19 99.94 3cfk n GLY 164 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 1.24 -3.08 4.61 0.00 -1.03 -3.41 119.26 117.59 3cfk h ALA 165 Ca 0.00 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 54.04 3cfk h ALA 165 Cb 0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 17.48 3cfk h ALA 165 CO 0.00 0.25 -0.61 -1.17 0.00 0.00 0.00 179.25 177.72 3cfk s LEU 166 N -7.36 4.10 0.00 0.00 2.96 -0.86 -4.91 118.68 112.60 3cfk s LEU 166 Ca -0.02 -0.94 0.00 0.00 -0.22 0.00 0.00 54.13 52.95 3cfk s LEU 166 Cb 0.13 -1.88 0.00 0.00 0.50 0.00 0.00 46.19 44.94 3cfk s LEU 166 CO 0.63 -0.27 0.00 0.35 -1.32 0.00 0.00 176.35 175.74 3cfk n THR 167 N 4.84 0.00 -1.69 3.68 -2.24 -1.26 -4.32 114.28 113.29 3cfk n THR 167 Ca -0.13 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.21 3cfk n THR 167 Cb 0.46 -0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.99 3.02 0.00 3.42 7.64 -1.26 -2.47 113.62 121.97 3cfk n SER 168 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3cfk n SER 168 Cb 0.35 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 2.01 1.76 3.73 0.23 0.00 -1.26 -4.79 105.19 106.88 3cfk n GLY 169 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.55 4.75 -0.15 1.61 1.01 -1.03 -2.31 120.40 120.73 3cfk s VAL 171 Ca 0.00 1.73 -0.02 0.00 0.00 0.00 0.00 61.98 63.70 3cfk s VAL 171 Cb 0.00 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.26 3cfk s VAL 171 CO 0.00 0.32 -0.01 -1.00 0.00 0.00 0.00 175.10 174.41 3cfk s HIS 172 N 0.20 1.19 -0.32 5.22 3.76 -0.25 -5.00 115.29 120.10 3cfk s HIS 172 Ca 0.41 -0.77 -0.14 0.00 -0.15 0.00 0.00 55.06 54.42 3cfk s HIS 172 Cb -0.21 -1.08 -0.02 0.00 1.11 0.00 0.00 32.58 32.38 3cfk s HIS 172 CO 0.24 -0.54 0.30 0.99 -0.85 0.00 0.00 174.74 174.88 3cfk s THR 173 N 1.80 5.22 0.52 1.30 2.01 -1.26 -0.91 115.64 124.32 3cfk s THR 173 Ca 0.01 0.10 -0.18 0.00 0.31 0.00 0.00 61.69 61.93 3cfk s THR 173 Cb -0.15 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.57 3cfk s THR 173 CO -0.07 0.03 1.02 -0.36 -0.69 0.00 0.00 174.62 174.55 3cfk s PHE 174 N 1.91 3.14 0.28 4.92 0.08 -0.69 -5.01 117.98 122.62 3cfk s PHE 174 Ca 0.10 1.53 -0.30 0.00 0.12 0.00 0.00 56.93 58.39 3cfk s PHE 174 Cb -0.16 -2.95 -0.13 0.00 -0.57 0.00 0.00 43.02 39.20 3cfk s PHE 174 CO 0.11 -0.72 1.28 -2.30 -0.10 0.00 0.00 175.22 173.48 3cfk n PRO 175 N -1.44 1.89 -1.89 0.24 -0.02 -1.26 -4.61 135.00 127.92 3cfk n PRO 175 Ca 0.08 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 3cfk n PRO 175 Cb 0.53 -2.24 0.04 0.00 -0.02 0.00 0.00 33.50 31.82 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 -0.63 2.62 0.04 3.55 0.00 -1.26 -4.81 121.76 121.26 3cfk s ALA 176 Ca 0.62 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.80 3cfk s ALA 176 Cb -0.64 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 18.94 3cfk s ALA 176 CO 0.56 -1.30 -0.16 0.08 0.00 0.00 0.00 175.76 174.94 3cfk s VAL 177 N -1.44 2.95 -0.35 0.00 1.01 0.45 -4.95 120.40 118.08 3cfk s VAL 177 Ca 0.76 -1.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 3cfk s VAL 177 Cb -0.35 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 3cfk s VAL 177 CO 0.39 0.33 0.34 -0.22 0.00 0.00 0.00 175.10 175.95 3cfk s LEU 178 N -1.48 4.52 0.67 3.92 2.96 -1.26 -1.16 118.68 126.85 3cfk s LEU 178 Ca 0.15 -0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 53.62 3cfk s LEU 178 Cb -0.11 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.30 3cfk s LEU 178 CO 0.06 -0.34 1.05 -1.10 -1.32 0.00 0.00 176.35 174.70 3cfk s GLN 179 N 1.95 3.00 0.60 1.98 -0.21 0.03 -4.93 119.66 122.08 3cfk s GLN 179 Ca 0.10 0.43 0.39 0.00 0.02 0.00 0.00 55.36 56.30 3cfk s GLN 179 Cb -0.17 -2.08 1.94 0.00 1.00 0.00 0.00 33.01 33.70 3cfk s GLN 179 CO 0.11 -0.89 2.18 0.66 -2.12 0.00 0.00 175.29 175.23 3cfk h SER 180 N -0.51 0.00 0.64 5.90 4.64 -1.98 -0.57 113.55 121.67 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 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3cfk h SER 180 CO 0.63 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 3cfk n SER 182 N -3.03 0.59 0.00 4.97 3.41 -1.26 -4.88 113.62 113.42 3cfk n SER 182 Ca -0.01 0.66 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 3cfk n SER 182 Cb 0.16 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.34 3cfk n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfk n GLY 183 N -0.12 0.71 3.85 5.00 0.00 -0.22 -5.07 105.19 109.35 3cfk n GLY 183 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 4.04 0.39 0.99 1.43 -1.26 -4.85 118.68 119.42 3cfk s LEU 184 Ca 0.00 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3cfk s LEU 184 Cb 0.00 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3cfk s LEU 184 CO 0.00 0.11 0.64 -0.31 0.23 0.00 0.00 176.35 177.02 3cfk s TYR 185 N -1.62 3.52 -0.11 0.29 2.02 0.12 -0.79 117.35 120.79 3cfk s TYR 185 Ca 0.32 0.57 -0.16 0.00 -0.37 0.00 0.00 57.07 57.43 3cfk s TYR 185 Cb -0.11 -2.08 0.04 0.00 -0.40 0.00 0.00 41.96 39.40 3cfk s TYR 185 CO 0.25 -0.02 0.41 0.45 -1.57 0.00 0.00 175.55 175.07 3cfk s SER 186 N -3.93 -0.39 0.09 2.29 0.15 -0.31 -1.43 113.70 110.17 3cfk s SER 186 Ca 0.43 0.62 -0.13 0.00 0.70 0.00 0.00 55.95 57.58 3cfk s SER 186 Cb -0.10 0.68 0.02 0.00 -1.71 0.00 0.00 66.02 64.91 3cfk s SER 186 CO 0.38 -0.27 0.31 -1.48 1.20 0.00 0.00 173.24 173.38 3cfk s LEU 187 N -0.34 0.84 0.12 3.45 0.05 0.01 -0.41 118.68 122.40 3cfk s LEU 187 Ca -0.05 -0.38 0.08 0.00 0.05 0.00 0.00 54.13 53.83 3cfk s LEU 187 Cb -0.03 1.46 -0.04 0.00 -2.05 0.00 0.00 46.19 45.53 3cfk s LEU 187 CO 0.02 -0.75 -0.18 -0.94 -0.55 0.00 0.00 176.35 173.95 3cfk s SER 188 N -2.61 2.39 -0.04 1.48 1.04 -1.26 0.01 113.70 114.70 3cfk s SER 188 Ca 0.01 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.73 3cfk s SER 188 Cb 0.02 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.02 3cfk s SER 188 CO -0.09 -0.01 -0.11 -0.55 0.98 0.00 0.00 173.24 173.45 3cfk s SER 189 N -2.17 1.50 0.12 7.02 0.15 -0.57 -1.70 113.70 118.06 3cfk s SER 189 Ca 0.08 -0.24 0.06 0.00 0.70 0.00 0.00 55.95 56.55 3cfk s SER 189 Cb -0.08 -0.50 -0.04 0.00 -1.71 0.00 0.00 66.02 63.69 3cfk s SER 189 CO 0.04 0.07 -0.14 0.68 1.20 0.00 0.00 173.24 175.09 3cfk s VAL 190 N 0.33 1.34 -0.05 4.45 -7.23 -0.09 -0.88 120.40 118.27 3cfk s VAL 190 Ca -0.07 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.42 3cfk s VAL 190 Cb -0.11 -1.54 0.00 0.00 0.56 0.00 0.00 36.38 35.29 3cfk s VAL 190 CO 0.02 -0.41 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.54 3cfk s VAL 191 N -2.14 1.35 -0.06 1.32 1.01 0.16 -1.09 120.40 120.97 3cfk s VAL 191 Ca 0.09 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3cfk s VAL 191 Cb -0.05 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3cfk s VAL 191 CO 0.03 0.40 -0.03 0.42 0.00 0.00 0.00 175.10 175.92 3cfk s THR 192 N 0.22 4.01 0.04 3.92 -4.23 -0.98 -0.76 115.64 117.86 3cfk s THR 192 Ca -0.07 -0.44 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 3cfk s THR 192 Cb -0.13 -2.69 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 3cfk s THR 192 CO 0.03 0.54 -0.05 0.68 -0.54 0.00 0.00 174.62 175.28 3cfk s VAL 193 N -0.90 0.35 0.19 2.29 -7.23 -0.11 -4.56 120.40 110.43 3cfk s VAL 193 Ca 0.14 -1.08 -0.33 0.00 -1.81 0.00 0.00 61.98 58.91 3cfk s VAL 193 Cb -0.11 -0.55 -0.14 0.00 0.56 0.00 0.00 36.38 36.14 3cfk s VAL 193 CO 0.04 -0.48 1.52 -2.65 -0.31 0.00 0.00 175.10 173.21 3cfk n PRO 194 N 1.39 2.12 -0.27 4.82 -0.02 -1.26 -0.09 135.00 141.69 3cfk n PRO 194 Ca -0.22 0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 61.98 3cfk n PRO 194 Cb 0.55 -2.49 0.02 0.00 -0.02 0.00 0.00 33.50 31.57 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 5.28 -1.25 0.24 2.55 0.02 -1.74 0.55 113.55 119.19 3cfk h SER 195 Ca -0.45 0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 3cfk h SER 195 Cb 1.26 0.64 0.00 0.00 0.14 0.00 0.00 62.40 64.44 3cfk h SER 195 CO 0.84 -0.30 0.00 -1.20 -1.14 0.00 0.00 176.83 175.03 3cfk n SER 196 N -5.45 0.31 -0.70 3.07 7.64 -1.26 -1.69 113.62 115.54 3cfk n SER 196 Ca 0.07 0.62 0.11 0.00 1.01 0.00 0.00 58.87 60.67 3cfk n SER 196 Cb 0.37 -0.67 0.34 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.89 2.11 0.21 6.43 3.41 0.18 -4.67 113.62 119.40 3cfk n SER 197 Ca 0.01 -1.77 -0.15 0.00 -0.26 0.00 0.00 58.87 56.69 3cfk n SER 197 Cb 0.09 -0.12 -0.07 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 2.84 -0.85 0.00 1.04 5.85 -1.42 -1.44 115.31 121.33 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 0.62 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3cfk h LEU 198 CO 0.00 -0.45 0.00 0.61 -0.34 0.00 0.00 178.44 178.26 3cfk n GLY 199 N -1.43 -0.64 0.17 3.75 0.00 -1.26 -3.86 105.19 101.92 3cfk n GLY 199 Ca -0.09 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 1.03 -3.60 2.61 2.02 -1.57 -3.46 112.91 109.94 3cfk h THR 200 Ca 0.00 -1.68 -0.06 0.00 0.77 0.00 0.00 66.41 65.44 3cfk h THR 200 Cb 0.05 1.99 -0.11 0.00 -1.74 0.00 0.00 68.15 68.34 3cfk h THR 200 CO 0.00 0.43 -0.14 0.00 0.37 0.00 0.00 175.52 176.18 3cfk s GLN 203 N -3.61 1.30 0.13 6.66 -2.07 -1.25 -5.15 119.66 115.67 3cfk s GLN 203 Ca -0.00 -1.05 -0.21 0.00 -1.82 0.00 0.00 55.36 52.28 3cfk s GLN 203 Cb 0.11 0.45 -0.07 0.00 -1.09 0.00 0.00 33.01 32.41 3cfk s GLN 203 CO 0.71 -0.52 0.66 0.99 -1.32 0.00 0.00 175.29 175.80 3cfk s THR 205 N -3.93 4.60 -0.20 3.63 2.01 -1.26 -5.04 115.64 115.45 3cfk s THR 205 Ca 0.14 1.35 0.01 0.00 0.31 0.00 0.00 61.69 63.51 3cfk s THR 205 Cb 0.01 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.60 3cfk s THR 205 CO -0.00 0.47 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.94 3cfk s TYR 206 N -1.21 2.72 -0.12 4.92 2.02 -1.26 -4.95 117.35 119.46 3cfk s TYR 206 Ca 0.34 -1.73 0.02 0.00 -0.37 0.00 0.00 57.07 55.33 3cfk s TYR 206 Cb -0.20 -1.81 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 3cfk s TYR 206 CO 0.22 -0.79 -0.17 0.42 -1.57 0.00 0.00 175.55 173.66 3cfk s ILE 207 N 1.30 1.62 -0.13 2.71 1.01 -1.26 -0.94 121.20 125.52 3cfk s ILE 207 Ca 0.00 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 3cfk s ILE 207 Cb -0.15 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 3cfk s ILE 207 CO -0.10 0.47 0.35 0.00 0.00 0.00 0.00 174.94 175.66 3cfk s ASN 209 N 0.28 5.64 -0.16 0.00 -0.87 0.11 -1.72 114.94 118.21 3cfk s ASN 209 Ca 0.20 -0.04 0.01 0.00 -1.57 0.00 0.00 52.86 51.45 3cfk s ASN 209 Cb -0.14 -2.01 0.03 0.00 -0.02 0.00 0.00 41.25 39.10 3cfk s ASN 209 CO 0.07 0.02 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.79 3cfk s VAL 210 N 1.29 1.65 -0.06 1.60 1.01 0.26 -1.27 120.40 124.88 3cfk s VAL 210 Ca 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.31 3cfk s VAL 210 Cb -0.14 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 3cfk s VAL 210 CO 0.05 0.40 -0.16 0.21 0.00 0.00 0.00 175.10 175.59 3cfk s ASN 211 N 1.44 3.82 -0.37 3.32 2.47 -0.75 -0.94 114.94 123.93 3cfk s ASN 211 Ca 0.03 -0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.03 3cfk s ASN 211 Cb -0.14 -0.94 0.12 0.00 -1.45 0.00 0.00 41.25 38.84 3cfk s ASN 211 CO -0.10 0.30 0.18 -2.28 -3.72 0.00 0.00 177.10 171.47 3cfk s HIS 212 N -0.45 1.49 0.21 0.43 5.65 0.18 -1.87 115.29 120.93 3cfk s HIS 212 Ca 0.05 -1.91 -0.09 0.00 0.25 0.00 0.00 55.06 53.36 3cfk s HIS 212 Cb -0.12 -1.54 0.25 0.00 -1.18 0.00 0.00 32.58 29.99 3cfk s HIS 212 CO 0.02 -0.83 1.79 0.87 -0.65 0.00 0.00 174.74 175.94 3cfk h LYS 213 N 7.34 0.58 -0.11 2.88 1.57 -1.82 -1.88 116.57 125.13 3cfk h LYS 213 Ca -0.05 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3cfk h LYS 213 Cb 0.97 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 3cfk h LYS 213 CO 0.43 0.39 0.11 -1.35 -0.57 0.00 0.00 179.45 178.45 3cfk h PRO 214 N 0.60 0.00 -0.23 3.15 0.11 -1.92 -1.34 132.00 132.37 3cfk h PRO 214 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3cfk h PRO 214 Cb 0.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3cfk h PRO 214 CO -0.22 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.44 3cfk n SER 215 N -4.01 2.77 -3.95 -2.05 3.41 -1.02 -4.96 113.62 103.80 3cfk n SER 215 Ca -0.00 -2.16 -0.32 0.00 -0.26 0.00 0.00 58.87 56.13 3cfk n SER 215 Cb 0.22 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.05 -4.13 -4.62 4.04 3.02 -0.51 -4.88 115.26 108.23 3cfk n ASN 216 Ca 0.10 -0.81 -0.38 0.00 -0.03 0.00 0.00 54.58 53.46 3cfk n ASN 216 Cb 0.44 -3.34 -0.09 0.00 -0.61 0.00 0.00 39.78 36.18 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 -3.23 5.23 -0.09 3.41 2.01 -0.90 -4.98 115.64 117.08 3cfk s THR 217 Ca 0.66 0.47 0.04 0.00 0.31 0.00 0.00 61.69 63.17 3cfk s THR 217 Cb -0.35 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.52 3cfk s THR 217 CO 0.81 0.21 -0.23 -0.54 -0.69 0.00 0.00 174.62 174.18 3cfk s LYS 218 N 1.78 2.91 -0.02 4.92 1.02 -1.26 -0.65 119.74 128.43 3cfk s LYS 218 Ca 0.13 -0.85 0.01 0.00 0.02 0.00 0.00 55.97 55.28 3cfk s LYS 218 Cb -0.15 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 3cfk s LYS 218 CO 0.09 0.18 -0.02 0.08 -0.92 0.00 0.00 175.35 174.77 3cfk s VAL 219 N 0.32 0.25 -0.25 3.17 1.01 -0.11 -5.01 120.40 119.78 3cfk s VAL 219 Ca -0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3cfk s VAL 219 Cb -0.17 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 35.95 3cfk s VAL 219 CO 0.08 0.13 -0.05 -1.81 0.00 0.00 0.00 175.10 173.45 3cfk s ASP 220 N 0.59 4.39 -0.23 3.32 1.01 -1.26 -0.57 116.67 123.92 3cfk s ASP 220 Ca -0.06 -0.90 -0.01 0.00 0.71 0.00 0.00 52.55 52.29 3cfk s ASP 220 Cb -0.09 -1.67 0.02 0.00 1.01 0.00 0.00 42.92 42.18 3cfk s ASP 220 CO -0.01 -0.14 -0.10 -0.75 0.21 0.00 0.00 175.17 174.39 3cfk s LYS 221 N 1.32 2.95 0.07 8.23 2.47 -0.70 -4.97 119.74 129.11 3cfk s LYS 221 Ca -0.00 -0.89 -0.30 0.00 -1.56 0.00 0.00 55.97 53.21 3cfk s LYS 221 Cb -0.17 -2.88 -0.05 0.00 -1.46 0.00 0.00 37.83 33.27 3cfk s LYS 221 CO -0.04 -0.32 1.08 0.21 0.16 0.00 0.00 175.35 176.44 3cfk s LYS 222 N 1.33 4.54 -0.66 4.03 2.20 -1.26 -1.92 119.74 128.00 3cfk s LYS 222 Ca 0.02 1.60 -0.08 0.00 -0.36 0.00 0.00 55.97 57.15 3cfk s LYS 222 Cb -0.15 -3.38 0.17 0.00 -1.51 0.00 0.00 37.83 32.96 3cfk s LYS 222 CO -0.06 -0.07 0.53 0.08 -0.36 0.00 0.00 175.35 175.47 3cfk s VAL 223 N 0.67 4.44 0.24 4.02 1.01 -0.11 -4.94 120.40 125.74 3cfk s VAL 223 Ca 0.53 -2.56 -0.29 0.00 0.00 0.00 0.00 61.98 59.67 3cfk s VAL 223 Cb -0.26 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3cfk s VAL 223 CO 0.30 -0.91 0.91 -1.61 0.00 0.00 0.00 175.10 173.79 3cfk s GLU 226 N 0.31 4.77 0.65 2.72 2.02 -1.26 -4.55 118.70 123.35 3cfk s GLU 226 Ca 0.15 1.41 -0.17 0.00 0.02 0.00 0.00 54.97 56.37 3cfk s GLU 226 Cb -0.18 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 3cfk s GLU 226 CO -0.05 0.49 0.78 -2.30 0.02 0.00 0.00 175.26 174.20 3cfk n PRO 227 N 1.36 0.58 0.00 0.39 -0.02 -1.26 -4.44 135.00 131.61 3cfk n PRO 227 Ca -0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3cfk n PRO 227 Cb 0.48 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3cfk n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11