#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 4.07 -0.03 2.62 1.01 -1.26 -4.01 120.40 122.81 3cfk s VAL 2 Ca 0.00 1.54 0.04 0.00 0.00 0.00 0.00 61.98 63.57 3cfk s VAL 2 Cb 0.00 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3cfk s VAL 2 CO 0.00 0.15 -0.15 -0.54 0.00 0.00 0.00 175.10 174.56 3cfk s LYS 3 N 0.74 1.45 -0.41 2.72 1.02 -0.48 -4.99 119.74 119.78 3cfk s LYS 3 Ca 0.56 -0.55 0.02 0.00 0.02 0.00 0.00 55.97 56.02 3cfk s LYS 3 Cb -0.29 -1.32 0.14 0.00 -0.52 0.00 0.00 37.83 35.84 3cfk s LYS 3 CO 0.30 0.27 0.24 -0.51 -0.92 0.00 0.00 175.35 174.73 3cfk s LEU 4 N -0.12 2.01 -0.42 3.17 1.43 -1.26 -2.01 118.68 121.48 3cfk s LEU 4 Ca 0.01 -2.52 -0.20 0.00 -1.03 0.00 0.00 54.13 50.39 3cfk s LEU 4 Cb -0.09 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.39 3cfk s LEU 4 CO 0.01 -0.27 0.60 -0.76 0.23 0.00 0.00 176.35 176.15 3cfk s LEU 5 N 0.56 4.53 0.42 1.79 1.43 -0.54 -4.08 118.68 122.78 3cfk s LEU 5 Ca 0.19 -0.34 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 3cfk s LEU 5 Cb -0.21 -2.66 -0.07 0.00 0.03 0.00 0.00 46.19 43.28 3cfk s LEU 5 CO -0.01 -0.71 0.80 -1.61 0.23 0.00 0.00 176.35 175.05 3cfk s GLU 6 N 2.66 3.81 0.31 1.70 8.01 -1.26 -1.50 118.70 132.43 3cfk s GLU 6 Ca 0.21 0.54 -0.18 0.00 0.01 0.00 0.00 54.97 55.55 3cfk s GLU 6 Cb -0.15 -2.36 0.03 0.00 -4.31 0.00 0.00 34.13 27.34 3cfk s GLU 6 CO 0.17 -0.06 0.70 -1.54 0.01 0.00 0.00 175.26 174.54 3cfk s SER 7 N -3.13 -0.13 0.00 -0.19 1.04 0.09 -4.86 113.70 106.53 3cfk s SER 7 Ca 0.52 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3cfk s SER 7 Cb -0.10 0.74 0.00 0.00 0.10 0.00 0.00 66.02 66.76 3cfk s SER 7 CO 0.31 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3cfk n GLY 8 N -0.47 0.61 2.82 7.32 0.00 -1.26 -1.22 105.19 112.99 3cfk n GLY 8 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.28 -1.66 0.00 -0.02 0.00 -1.26 -4.70 105.19 96.27 3cfk n GLY 9 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.74 0.79 3.72 -0.02 0.00 0.56 -4.96 105.19 103.54 3cfk n GLY 10 Ca 0.12 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 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 0.08 0.99 2.96 -1.26 -1.53 118.68 124.30 3cfk s LEU 11 Ca 0.00 1.54 0.06 0.00 -0.22 0.00 0.00 54.13 55.51 3cfk s LEU 11 Cb 0.00 -3.43 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 3cfk s LEU 11 CO 0.00 -0.19 -0.15 0.00 -1.32 0.00 0.00 176.35 174.70 3cfk s ALA 12 N 0.79 1.29 0.26 5.97 0.00 -0.01 -4.96 121.76 125.10 3cfk s ALA 12 Ca 0.47 -1.08 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 3cfk s ALA 12 Cb -0.20 -0.10 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 3cfk s ALA 12 CO 0.25 0.17 0.66 -0.65 0.00 0.00 0.00 175.76 176.19 3cfk s GLN 13 N -1.96 3.98 0.29 0.00 -0.21 -1.26 -1.32 119.66 119.18 3cfk s GLN 13 Ca 0.01 0.57 -0.30 0.00 0.02 0.00 0.00 55.36 55.66 3cfk s GLN 13 Cb -0.09 -2.62 -0.12 0.00 1.00 0.00 0.00 33.01 31.18 3cfk s GLN 13 CO 0.03 0.28 1.43 -2.30 -2.12 0.00 0.00 175.29 172.60 3cfk n PRO 14 N 0.00 2.29 0.00 2.91 -0.02 -1.26 -1.60 135.00 137.32 3cfk n PRO 14 Ca 0.01 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3cfk n PRO 14 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 1.63 2.92 3.84 -1.23 0.00 0.57 -4.90 105.19 108.03 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 -1.64 1.61 0.41 -0.02 0.00 -0.62 -3.66 107.32 103.39 3cfk s GLY 16 Ca 0.00 -0.70 0.07 0.00 0.00 0.00 0.00 44.72 44.10 3cfk s GLY 16 CO 0.00 -0.11 0.17 -1.35 0.00 0.00 0.00 173.10 171.81 3cfk s SER 17 N -4.35 4.43 -0.22 1.64 1.04 -1.26 -2.51 113.70 112.47 3cfk s SER 17 Ca 0.65 -1.06 -0.27 0.00 0.48 0.00 0.00 55.95 55.76 3cfk s SER 17 Cb -0.11 -0.49 0.08 0.00 0.10 0.00 0.00 66.02 65.59 3cfk s SER 17 CO 0.52 -0.52 0.78 -0.22 0.98 0.00 0.00 173.24 174.78 3cfk s LEU 18 N -3.89 -0.66 -0.25 2.42 2.96 0.14 -4.98 118.68 114.42 3cfk s LEU 18 Ca 0.41 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.47 3cfk s LEU 18 Cb 0.03 2.35 0.05 0.00 0.50 0.00 0.00 46.19 49.13 3cfk s LEU 18 CO 0.22 -0.32 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.08 3cfk s LYS 19 N -0.07 2.36 0.30 1.98 2.20 -1.26 -0.01 119.74 125.25 3cfk s LYS 19 Ca -0.02 -1.27 -0.10 0.00 -0.36 0.00 0.00 55.97 54.22 3cfk s LYS 19 Cb -0.04 -2.88 -0.07 0.00 -1.51 0.00 0.00 37.83 33.34 3cfk s LYS 19 CO 0.02 -0.53 0.64 -0.51 -0.36 0.00 0.00 175.35 174.61 3cfk s LEU 20 N 1.14 4.05 0.11 5.43 1.43 0.15 -4.62 118.68 126.36 3cfk s LEU 20 Ca -0.07 1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 54.00 3cfk s LEU 20 Cb -0.19 -3.82 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 3cfk s LEU 20 CO -0.06 -0.20 0.09 -0.94 0.23 0.00 0.00 176.35 175.48 3cfk s SER 21 N -2.67 0.28 -0.19 2.29 1.04 -0.35 -1.53 113.70 112.57 3cfk s SER 21 Ca 0.49 -1.00 -0.07 0.00 0.48 0.00 0.00 55.95 55.85 3cfk s SER 21 Cb -0.11 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.40 3cfk s SER 21 CO 0.24 -0.72 0.40 0.00 0.98 0.00 0.00 173.24 174.14 3cfk s ALA 23 N 2.49 3.18 0.05 0.00 0.00 -0.56 -0.95 121.76 125.97 3cfk s ALA 23 Ca -0.02 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.22 3cfk s ALA 23 Cb -0.12 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3cfk s ALA 23 CO -0.12 0.38 -0.22 0.00 0.00 0.00 0.00 175.76 175.79 3cfk s ALA 24 N -0.20 2.43 0.18 0.00 0.00 -0.28 -1.47 121.76 122.41 3cfk s ALA 24 Ca 0.05 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 3cfk s ALA 24 Cb -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3cfk s ALA 24 CO 0.02 0.55 0.36 -1.54 0.00 0.00 0.00 175.76 175.15 3cfk s SER 25 N -1.41 -0.04 0.00 0.00 1.04 -0.85 -4.83 113.70 107.60 3cfk s SER 25 Ca 0.13 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.78 3cfk s SER 25 Cb -0.10 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.50 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 0.77 3.57 7.32 0.00 -1.26 -1.38 105.19 113.94 3cfk n GLY 26 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.79 -0.05 -1.30 1.61 -0.71 -1.26 -4.51 117.98 108.97 3cfk s PHE 27 Ca 0.00 -0.31 -0.18 0.00 -1.04 0.00 0.00 56.93 55.40 3cfk s PHE 27 Cb 0.00 0.39 0.06 0.00 -1.21 0.00 0.00 43.02 42.26 3cfk s PHE 27 CO 0.00 -0.96 1.79 -3.47 -1.34 0.00 0.00 175.22 171.24 3cfk n ASP 28 N -0.36 4.71 -0.34 1.98 2.03 -1.26 -4.81 116.55 118.51 3cfk n ASP 28 Ca -0.08 -2.90 0.18 0.00 0.52 0.00 0.00 54.79 52.52 3cfk n ASP 28 Cb 0.62 -1.74 0.40 0.00 -0.72 0.00 0.00 41.12 39.68 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 7.59 0.95 -1.24 -0.67 3.57 -1.95 -0.45 116.94 124.73 3cfk h PHE 29 Ca 0.44 0.04 0.36 0.00 3.53 0.00 0.00 57.97 62.34 3cfk h PHE 29 Cb 0.85 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.27 3cfk h PHE 29 CO 1.42 -0.01 0.88 0.00 -2.23 0.00 0.00 178.31 178.36 3cfk h ARG 30 N 0.50 0.06 0.00 1.11 3.08 -1.87 -2.41 114.38 114.84 3cfk h ARG 30 Ca 0.66 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.70 3cfk h ARG 30 Cb 1.31 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3cfk h ARG 30 CO -0.52 0.04 -0.83 0.54 -1.07 0.00 0.00 179.97 178.14 3cfk n ARG 31 N -4.25 0.16 -4.24 0.04 1.74 -0.18 -4.66 116.66 105.28 3cfk n ARG 31 Ca 0.28 0.01 -0.33 0.00 -0.77 0.00 0.00 57.85 57.04 3cfk n ARG 31 Cb 1.27 -1.56 -0.08 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 -3.11 3.13 0.41 -1.55 1.51 -0.91 -4.81 117.35 112.03 3cfk s TYR 32 Ca 0.07 0.12 -0.24 0.00 -1.01 0.00 0.00 57.07 56.00 3cfk s TYR 32 Cb 0.15 -1.69 -0.08 0.00 -0.11 0.00 0.00 41.96 40.23 3cfk s TYR 32 CO 0.77 0.49 1.12 -1.58 -1.11 0.00 0.00 175.55 175.24 3cfk s TRP 33 N -1.10 3.10 0.12 2.71 0.52 -1.25 -4.06 118.94 118.98 3cfk s TRP 33 Ca 0.20 1.59 0.08 0.00 0.02 0.00 0.00 56.10 57.99 3cfk s TRP 33 Cb -0.12 -3.29 -0.04 0.00 -1.15 0.00 0.00 33.47 28.88 3cfk s TRP 33 CO 0.11 -1.10 -0.20 -1.64 0.02 0.00 0.00 176.95 174.14 3cfk s MET 34 N -2.46 1.15 0.02 4.98 -1.94 -0.10 -1.97 119.30 118.98 3cfk s MET 34 Ca 0.59 -1.23 0.01 0.00 -1.71 0.00 0.00 55.69 53.35 3cfk s MET 34 Cb -0.27 -1.34 -0.02 0.00 2.01 0.00 0.00 34.83 35.21 3cfk s MET 34 CO 0.33 0.30 -0.05 0.99 -0.01 0.00 0.00 175.02 176.58 3cfk s THR 35 N -1.44 0.32 -0.11 2.05 2.01 0.66 -0.51 115.64 118.62 3cfk s THR 35 Ca 0.09 -0.80 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 3cfk s THR 35 Cb -0.09 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.00 3cfk s THR 35 CO 0.05 -0.32 -0.06 0.26 -0.69 0.00 0.00 174.62 173.85 3cfk s TRP 36 N -1.11 2.96 0.04 4.92 0.52 -0.46 -0.58 118.94 125.22 3cfk s TRP 36 Ca -0.10 -0.18 0.03 0.00 0.02 0.00 0.00 56.10 55.88 3cfk s TRP 36 Cb -0.08 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.40 3cfk s TRP 36 CO -0.00 0.13 -0.10 0.08 0.02 0.00 0.00 176.95 177.08 3cfk s VAL 37 N -0.24 0.72 0.13 4.03 1.01 -0.19 -1.45 120.40 124.41 3cfk s VAL 37 Ca 0.03 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3cfk s VAL 37 Cb -0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3cfk s VAL 37 CO 0.03 -0.19 -0.11 0.00 0.00 0.00 0.00 175.10 174.83 3cfk s ARG 38 N -1.25 0.98 -0.19 2.72 1.70 -0.28 0.16 118.95 122.79 3cfk s ARG 38 Ca -0.04 -1.32 -0.05 0.00 -0.47 0.00 0.00 55.73 53.85 3cfk s ARG 38 Cb -0.08 -0.63 0.07 0.00 -0.57 0.00 0.00 34.95 33.73 3cfk s ARG 38 CO 0.01 0.09 0.10 -1.14 -1.08 0.00 0.00 175.30 173.28 3cfk s GLN 39 N -3.28 0.08 0.77 3.89 0.74 0.40 -0.68 119.66 121.58 3cfk s GLN 39 Ca 0.12 -0.16 -0.13 0.00 0.05 0.00 0.00 55.36 55.24 3cfk s GLN 39 Cb -0.00 -1.71 0.06 0.00 1.10 0.00 0.00 33.01 32.46 3cfk s GLN 39 CO 0.01 -0.73 1.15 0.00 -0.55 0.00 0.00 175.29 175.16 3cfk s ALA 40 N 2.13 2.07 0.12 1.58 0.00 -1.26 -1.25 121.76 125.15 3cfk s ALA 40 Ca 0.03 0.61 -0.33 0.00 0.00 0.00 0.00 51.96 52.27 3cfk s ALA 40 Cb -0.16 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 3cfk s ALA 40 CO -0.14 -1.93 1.74 -2.30 0.00 0.00 0.00 175.76 173.14 3cfk n PRO 41 N -3.18 2.49 -1.35 0.00 -0.02 -1.26 -1.81 135.00 129.88 3cfk n PRO 41 Ca 0.11 0.90 -0.12 0.00 -2.02 0.00 0.00 63.50 62.38 3cfk n PRO 41 Cb 0.52 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.20 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 3.95 1.26 3.31 -1.23 0.00 -1.26 -4.99 105.19 106.23 3cfk n GLY 42 Ca 0.18 -0.27 -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 -2.12 0.70 -1.52 1.61 5.02 -0.75 -5.16 118.16 115.94 3cfk n LYS 43 Ca -0.12 -3.39 -0.19 0.00 -2.02 0.00 0.00 58.31 52.59 3cfk n LYS 43 Cb 0.46 1.42 0.12 0.00 -0.02 0.00 0.00 35.03 37.01 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 -0.70 -0.73 3.82 0.72 0.00 -1.26 -4.69 105.19 102.35 3cfk n GLY 44 Ca -0.12 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.77 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 4.12 -0.11 0.99 1.43 -1.26 -4.20 118.68 119.65 3cfk s LEU 45 Ca 0.50 1.52 -0.02 0.00 -1.03 0.00 0.00 54.13 55.10 3cfk s LEU 45 Cb -0.02 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.12 3cfk s LEU 45 CO 0.35 -0.19 0.03 -0.70 0.23 0.00 0.00 176.35 176.06 3cfk s GLU 46 N -2.72 0.50 0.10 1.70 2.12 0.14 -4.99 118.70 115.55 3cfk s GLU 46 Ca 0.54 -0.04 -0.31 0.00 0.36 0.00 0.00 54.97 55.52 3cfk s GLU 46 Cb -0.12 -1.35 -0.08 0.00 0.26 0.00 0.00 34.13 32.84 3cfk s GLU 46 CO 0.18 -0.44 1.49 -0.46 -0.54 0.00 0.00 175.26 175.48 3cfk s TRP 47 N 1.98 2.98 -0.23 5.30 -0.00 -1.26 -1.13 118.94 126.58 3cfk s TRP 47 Ca 0.03 0.73 -0.16 0.00 -0.00 0.00 0.00 56.10 56.70 3cfk s TRP 47 Cb -0.14 -3.79 -0.12 0.00 -0.00 0.00 0.00 33.47 29.42 3cfk s TRP 47 CO -0.06 -2.94 -0.20 -0.89 -0.00 0.00 0.00 176.95 172.86 3cfk n ILE 48 N 4.21 1.51 -0.25 5.86 5.41 -0.53 -4.56 119.36 131.02 3cfk n ILE 48 Ca 0.13 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.74 3cfk n ILE 48 Cb 0.41 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 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 1.37 -1.42 3.15 7.39 0.00 -1.18 -0.61 105.19 113.89 3cfk n GLY 49 Ca -0.37 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.87 0.56 0.00 1.61 -1.05 -0.35 -1.35 118.70 116.25 3cfk s GLU 50 Ca 0.00 -0.41 0.04 0.00 -0.15 0.00 0.00 54.97 54.45 3cfk s GLU 50 Cb 0.00 0.24 -0.01 0.00 -0.44 0.00 0.00 34.13 33.91 3cfk s GLU 50 CO 0.00 -0.14 -0.13 -1.50 0.95 0.00 0.00 175.26 174.43 3cfk s ILE 51 N -1.63 1.03 0.67 1.83 2.07 0.33 -1.69 121.20 123.82 3cfk s ILE 51 Ca -0.13 -0.64 -0.07 0.00 -1.41 0.00 0.00 60.65 58.41 3cfk s ILE 51 Cb -0.06 -0.88 0.05 0.00 0.13 0.00 0.00 42.46 41.70 3cfk s ILE 51 CO 0.01 0.23 0.99 0.54 -1.91 0.00 0.00 174.94 174.80 3cfk s ASN 52 N -0.47 5.04 0.23 4.50 4.22 -0.74 -0.93 114.94 126.80 3cfk s ASN 52 Ca 0.04 0.55 -0.09 0.00 -2.14 0.00 0.00 52.86 51.22 3cfk s ASN 52 Cb -0.06 -1.30 0.36 0.00 1.28 0.00 0.00 41.25 41.54 3cfk s ASN 52 CO -0.00 -1.45 1.64 -0.65 -2.04 0.00 0.00 177.10 174.60 3cfk h PRO 52 N -0.49 0.08 -0.63 3.55 0.11 -1.83 -2.48 132.00 130.32 3cfk h PRO 52 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cfk h PRO 52 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3cfk h PRO 52 CO 0.61 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 3cfk n ASP 53 N -5.35 3.77 -2.78 -2.05 5.68 -1.26 -4.93 116.55 109.64 3cfk n ASP 53 Ca 0.11 -2.37 -0.22 0.00 -0.50 0.00 0.00 54.79 51.82 3cfk n ASP 53 Cb 0.41 -0.51 0.02 0.00 -1.14 0.00 0.00 41.12 39.90 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 0.76 -5.92 -0.02 -1.12 7.64 -0.93 -4.87 113.62 109.16 3cfk n SER 54 Ca 0.19 -0.17 0.01 0.00 1.01 0.00 0.00 58.87 59.92 3cfk n SER 54 Cb 0.72 -4.85 -0.08 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 -3.61 1.12 -3.85 1.43 1.74 -1.26 -4.82 116.66 107.40 3cfk n ARG 55 Ca -0.16 -0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.50 3cfk n ARG 55 Cb 0.64 -1.24 -0.13 0.00 -1.02 0.00 0.00 32.46 30.71 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 -2.52 3.37 -0.27 0.55 2.01 -1.26 -5.06 115.64 112.46 3cfk s THR 56 Ca -0.04 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 60.89 3cfk s THR 56 Cb 0.05 -2.83 0.08 0.00 0.01 0.00 0.00 72.50 69.81 3cfk s THR 56 CO 0.40 -0.00 0.02 -0.63 -0.69 0.00 0.00 174.62 173.72 3cfk s ILE 57 N 1.36 1.44 -0.07 1.82 1.01 -1.26 -1.79 121.20 123.70 3cfk s ILE 57 Ca -0.01 -1.46 -0.07 0.00 0.00 0.00 0.00 60.65 59.11 3cfk s ILE 57 Cb -0.18 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 3cfk s ILE 57 CO -0.00 -0.37 0.19 0.20 0.00 0.00 0.00 174.94 174.96 3cfk s ASN 58 N 1.39 6.44 0.18 3.58 0.01 -0.68 -4.96 114.94 120.90 3cfk s ASN 58 Ca 0.02 0.51 0.08 0.00 -0.71 0.00 0.00 52.86 52.77 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 -0.12 0.36 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.35 3cfk s TYR 59 N -1.12 1.81 0.15 2.20 2.02 -1.26 -1.21 117.35 119.93 3cfk s TYR 59 Ca 0.19 -0.49 -0.31 0.00 -0.37 0.00 0.00 57.07 56.09 3cfk s TYR 59 Cb -0.13 -0.87 -0.09 0.00 -0.40 0.00 0.00 41.96 40.47 3cfk s TYR 59 CO 0.09 0.36 1.51 1.41 -1.57 0.00 0.00 175.55 177.35 3cfk s MET 60 N -3.10 4.25 -0.79 -0.62 -2.45 0.22 -4.88 119.30 111.93 3cfk s MET 60 Ca 0.19 2.27 -0.21 0.00 -1.25 0.00 0.00 55.69 56.69 3cfk s MET 60 Cb -0.04 -3.19 -0.19 0.00 1.25 0.00 0.00 34.83 32.65 3cfk s MET 60 CO 0.07 -0.56 1.83 -2.30 1.05 0.00 0.00 175.02 175.12 3cfk n PRO 61 N 4.00 0.07 -0.02 4.11 -0.02 -1.26 -4.85 135.00 137.03 3cfk n PRO 61 Ca 0.13 -1.29 0.00 0.00 -2.02 0.00 0.00 63.50 60.32 3cfk n PRO 61 Cb 0.40 -3.22 0.00 0.00 -0.02 0.00 0.00 33.50 30.66 3cfk n PRO 61 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3cfk n SER 62 N 16.02 0.00 -4.86 2.55 3.41 -1.26 -5.10 113.62 124.38 3cfk n SER 62 Ca 0.32 -0.02 -0.31 0.00 -0.26 0.00 0.00 58.87 58.59 3cfk n SER 62 Cb 0.47 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.37 3cfk n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cfk s LEU 63 N 0.00 3.94 0.19 1.04 1.43 -1.26 -4.98 118.68 119.04 3cfk s LEU 63 Ca 0.00 1.20 -0.33 0.00 -1.03 0.00 0.00 54.13 53.98 3cfk s LEU 63 Cb 0.00 -4.05 -0.14 0.00 0.03 0.00 0.00 46.19 42.04 3cfk s LEU 63 CO 0.00 -0.30 1.49 0.29 0.23 0.00 0.00 176.35 178.06 3cfk n LYS 64 N -0.84 2.06 -1.16 1.70 5.02 -1.26 -1.70 118.16 121.97 3cfk n LYS 64 Ca 0.03 0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 56.96 3cfk n LYS 64 Cb 0.54 -2.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.05 3cfk n LYS 64 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3cfk n ASP 65 N 2.83 -4.15 0.26 4.39 8.00 -1.26 -4.79 116.55 121.82 3cfk n ASP 65 Ca 0.15 0.23 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 3cfk n ASP 65 Cb 0.29 -3.29 -0.09 0.00 -0.02 0.00 0.00 41.12 38.01 3cfk n ASP 65 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3cfk h LYS 66 N 0.00 -0.86 -5.59 -1.24 3.64 -1.65 -3.41 116.57 107.47 3cfk h LYS 66 Ca -0.19 0.06 -0.65 0.00 -1.27 0.00 0.00 60.65 58.60 3cfk h LYS 66 Cb 0.89 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.83 3cfk h LYS 66 CO 0.28 -0.57 -0.46 -0.06 -2.27 0.00 0.00 179.45 176.37 3cfk s PHE 67 N -5.92 3.57 -0.12 1.91 0.08 -1.26 -1.81 117.98 114.42 3cfk s PHE 67 Ca -0.17 0.52 0.01 0.00 0.12 0.00 0.00 56.93 57.40 3cfk s PHE 67 Cb 0.05 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 3cfk s PHE 67 CO 0.62 0.63 -0.12 0.42 -0.10 0.00 0.00 175.22 176.66 3cfk s ILE 68 N -0.71 1.36 -0.15 0.64 1.01 -0.54 -4.97 121.20 117.84 3cfk s ILE 68 Ca 0.14 -0.52 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 3cfk s ILE 68 Cb -0.12 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 3cfk s ILE 68 CO 0.03 0.42 0.10 -0.63 0.00 0.00 0.00 174.94 174.87 3cfk s ILE 69 N 1.38 5.18 0.27 2.92 1.01 -1.26 -0.02 121.20 130.68 3cfk s ILE 69 Ca 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 3cfk s ILE 69 Cb -0.13 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 3cfk s ILE 69 CO -0.07 0.53 0.30 -0.94 0.00 0.00 0.00 174.94 174.77 3cfk s SER 70 N -0.31 0.61 0.05 3.58 1.04 -0.81 -5.01 113.70 112.85 3cfk s SER 70 Ca 0.10 -1.41 -0.11 0.00 0.48 0.00 0.00 55.95 55.02 3cfk s SER 70 Cb -0.12 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.53 3cfk s SER 70 CO 0.01 -1.05 0.24 0.00 0.98 0.00 0.00 173.24 173.42 3cfk s ARG 71 N -3.73 0.77 -0.36 4.02 1.70 -1.26 -0.14 118.95 119.96 3cfk s ARG 71 Ca 0.34 -0.65 0.01 0.00 -0.47 0.00 0.00 55.73 54.96 3cfk s ARG 71 Cb 0.03 0.32 0.11 0.00 -0.57 0.00 0.00 34.95 34.84 3cfk s ARG 71 CO 0.17 -0.24 0.14 0.34 -1.08 0.00 0.00 175.30 174.63 3cfk s ASP 72 N -2.24 4.01 0.53 -2.89 -1.08 0.12 -4.99 116.67 110.12 3cfk s ASP 72 Ca -0.03 -2.02 0.25 0.00 -0.52 0.00 0.00 52.55 50.23 3cfk s ASP 72 Cb 0.00 -1.02 1.47 0.00 -1.46 0.00 0.00 42.92 41.91 3cfk s ASP 72 CO -0.05 -0.36 2.12 0.78 0.52 0.00 0.00 175.17 178.17 3cfk h ASN 73 N 7.59 0.00 0.83 -0.34 2.35 -1.92 -1.38 115.58 122.71 3cfk h ASN 73 Ca -0.08 0.00 -0.06 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 -0.28 0.00 -1.65 0.00 0.00 177.43 176.07 3cfk h ALA 74 N 1.91 1.04 -0.52 -0.83 0.00 -1.95 -2.86 119.26 116.05 3cfk h ALA 74 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3cfk h ALA 74 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3cfk h ALA 74 CO 0.01 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.25 3cfk n LYS 75 N -3.49 3.03 -4.30 0.00 5.02 -0.57 -4.98 118.16 112.87 3cfk n LYS 75 Ca -0.00 -2.49 -0.33 0.00 -2.02 0.00 0.00 58.31 53.47 3cfk n LYS 75 Cb 0.45 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.89 -0.04 -4.13 4.39 3.02 -0.93 -4.71 115.26 113.76 3cfk n ASN 76 Ca 0.19 -1.22 -0.20 0.00 -0.03 0.00 0.00 54.58 53.33 3cfk n ASN 76 Cb 0.63 -1.89 -0.13 0.00 -0.61 0.00 0.00 39.78 37.78 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 -4.10 1.57 0.04 6.41 0.01 -0.97 -1.13 113.70 115.52 3cfk s SER 77 Ca 0.21 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.12 3cfk s SER 77 Cb -0.12 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 3cfk s SER 77 CO 0.98 0.03 -0.22 -0.22 0.41 0.00 0.00 173.24 174.23 3cfk s LEU 78 N -1.04 2.40 0.05 2.44 2.96 -0.13 -0.71 118.68 124.65 3cfk s LEU 78 Ca 0.01 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 3cfk s LEU 78 Cb -0.07 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 45.18 3cfk s LEU 78 CO 0.01 0.26 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.85 3cfk s TYR 79 N -0.85 1.23 -0.14 5.38 2.02 0.81 -1.15 117.35 124.65 3cfk s TYR 79 Ca 0.13 -0.38 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3cfk s TYR 79 Cb -0.10 -0.72 0.04 0.00 -0.40 0.00 0.00 41.96 40.78 3cfk s TYR 79 CO 0.03 0.04 0.01 -1.17 -1.57 0.00 0.00 175.55 172.89 3cfk s LEU 80 N -1.32 1.00 -0.24 -1.29 2.96 -0.58 -1.92 118.68 117.29 3cfk s LEU 80 Ca 0.01 -0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 3cfk s LEU 80 Cb -0.08 -0.59 -0.05 0.00 0.50 0.00 0.00 46.19 45.97 3cfk s LEU 80 CO 0.02 -0.24 0.25 -1.58 -1.32 0.00 0.00 176.35 173.47 3cfk s GLN 81 N 1.87 4.08 -0.11 1.98 0.74 0.98 -0.67 119.66 128.52 3cfk s GLN 81 Ca 0.02 -0.12 -0.03 0.00 0.05 0.00 0.00 55.36 55.28 3cfk s GLN 81 Cb -0.15 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 3cfk s GLN 81 CO -0.07 -0.02 0.00 -0.51 -0.55 0.00 0.00 175.29 174.14 3cfk s LEU 82 N 1.29 3.56 0.27 3.68 1.43 0.99 -1.47 118.68 128.43 3cfk s LEU 82 Ca 0.11 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3cfk s LEU 82 Cb -0.14 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 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 -0.44 1.14 -1.37 2.29 1.04 -0.75 -0.68 113.70 114.93 3cfk s SER 82 Ca 0.08 -1.51 -0.06 0.00 0.48 0.00 0.00 55.95 54.94 3cfk s SER 82 Cb -0.12 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3cfk s SER 82 CO 0.02 -0.87 0.44 0.54 0.98 0.00 0.00 173.24 174.35 3cfk n ARG 82 N -0.49 -2.45 -2.27 4.02 1.74 -1.23 -4.82 116.66 111.16 3cfk n ARG 82 Ca 0.02 0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 3cfk n ARG 82 Cb 0.65 -4.20 -0.03 0.00 -1.02 0.00 0.00 32.46 27.86 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 -6.98 4.41 0.31 0.55 1.43 -1.04 -4.70 118.68 112.66 3cfk s LEU 82 Ca 0.11 2.30 0.05 0.00 -1.03 0.00 0.00 54.13 55.56 3cfk s LEU 82 Cb -0.05 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.51 3cfk s LEU 82 CO 0.90 -0.51 -0.00 -0.13 0.23 0.00 0.00 176.35 176.85 3cfk s ARG 83 N 0.25 1.64 0.51 1.70 0.52 -1.26 -0.31 118.95 121.99 3cfk s ARG 83 Ca 0.58 -1.88 0.17 0.00 -0.52 0.00 0.00 55.73 54.08 3cfk s ARG 83 Cb -0.35 -1.09 1.24 0.00 0.52 0.00 0.00 34.95 35.27 3cfk s ARG 83 CO 0.35 -0.07 2.10 0.66 0.02 0.00 0.00 175.30 178.36 3cfk h SER 84 N 2.15 0.07 0.09 0.23 4.64 -1.97 0.13 113.55 118.89 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 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3cfk h SER 84 CO 0.70 0.05 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.36 3cfk h GLU 85 N 0.08 0.00 -0.00 4.77 5.08 -1.96 -1.33 114.58 121.22 3cfk h GLU 85 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 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 -0.01 0.01 -0.04 -0.25 -1.00 0.00 0.00 179.01 177.73 3cfk n ASP 86 N -3.45 0.06 -4.67 1.42 8.00 0.47 -4.82 116.55 113.57 3cfk n ASP 86 Ca -0.03 0.18 -0.42 0.00 0.71 0.00 0.00 54.79 55.23 3cfk n ASP 86 Cb 0.10 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.82 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 -2.83 6.55 0.03 -2.24 0.01 -0.50 -4.90 113.70 109.82 3cfk s SER 87 Ca 0.19 2.50 -0.28 0.00 1.31 0.00 0.00 55.95 59.67 3cfk s SER 87 Cb 0.19 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.99 3cfk s SER 87 CO 0.52 -0.98 1.21 0.00 0.41 0.00 0.00 173.24 174.39 3cfk s ALA 88 N 3.92 -2.11 -0.09 1.44 0.00 -0.62 -4.44 121.76 119.86 3cfk s ALA 88 Ca 0.80 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.92 3cfk s ALA 88 Cb -0.39 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3cfk s ALA 88 CO 0.36 -1.07 0.61 -0.51 0.00 0.00 0.00 175.76 175.14 3cfk s LEU 89 N -3.16 4.30 -0.22 0.00 1.43 -0.38 -1.29 118.68 119.35 3cfk s LEU 89 Ca 0.17 1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 54.25 3cfk s LEU 89 Cb 0.02 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 3cfk s LEU 89 CO -0.01 -0.07 0.00 -0.31 0.23 0.00 0.00 176.35 176.19 3cfk s TYR 90 N 0.74 3.02 -0.15 0.29 1.51 -0.69 -0.45 117.35 121.61 3cfk s TYR 90 Ca 0.33 -0.61 -0.04 0.00 -1.01 0.00 0.00 57.07 55.74 3cfk s TYR 90 Cb -0.17 -2.13 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 3cfk s TYR 90 CO 0.15 -0.38 -0.03 0.71 -1.11 0.00 0.00 175.55 174.89 3cfk s TYR 91 N 1.32 3.03 -0.18 2.71 2.02 0.43 -2.11 117.35 124.57 3cfk s TYR 91 Ca 0.04 -0.27 -0.29 0.00 -0.37 0.00 0.00 57.07 56.18 3cfk s TYR 91 Cb -0.15 -1.95 -0.01 0.00 -0.40 0.00 0.00 41.96 39.46 3cfk s TYR 91 CO 0.01 -0.01 1.17 0.00 -1.57 0.00 0.00 175.55 175.15 3cfk s VAL 93 N 3.24 0.60 -0.02 0.00 1.01 0.25 -0.25 120.40 125.23 3cfk s VAL 93 Ca 0.51 -0.18 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 3cfk s VAL 93 Cb -0.19 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3cfk s VAL 93 CO 0.12 0.23 0.73 -0.60 0.00 0.00 0.00 175.10 175.58 3cfk s ARG 94 N 0.72 4.45 -0.31 2.72 3.52 -0.15 -0.24 118.95 129.66 3cfk s ARG 94 Ca -0.10 0.96 -0.10 0.00 -0.13 0.00 0.00 55.73 56.36 3cfk s ARG 94 Cb -0.13 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.84 3cfk s ARG 94 CO 0.01 0.15 0.16 -1.17 -0.81 0.00 0.00 175.30 173.63 3cfk s LEU 95 N 0.46 4.11 -0.33 -0.88 2.96 -0.83 -1.64 118.68 122.53 3cfk s LEU 95 Ca 0.38 -0.49 -0.18 0.00 -0.22 0.00 0.00 54.13 53.62 3cfk s LEU 95 Cb -0.19 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 3cfk s LEU 95 CO 0.20 -0.19 0.53 -0.62 -1.32 0.00 0.00 176.35 174.95 3cfk s ASP 96 N 1.63 6.35 0.52 3.68 2.15 0.35 -3.81 116.67 127.54 3cfk s ASP 96 Ca 0.05 0.12 -0.04 0.00 0.43 0.00 0.00 52.55 53.12 3cfk s ASP 96 Cb -0.17 -2.28 -0.00 0.00 -0.30 0.00 0.00 42.92 40.17 3cfk s ASP 96 CO 0.07 -0.45 0.80 0.12 -0.17 0.00 0.00 175.17 175.54 3cfk s PHE 97 N 2.41 3.29 -0.33 -5.34 5.36 -1.26 -1.98 117.98 120.14 3cfk s PHE 97 Ca 0.20 0.53 -0.09 0.00 -0.96 0.00 0.00 56.93 56.61 3cfk s PHE 97 Cb -0.15 -2.52 0.20 0.00 -0.34 0.00 0.00 43.02 40.21 3cfk s PHE 97 CO 0.12 -0.57 1.09 0.34 -1.46 0.00 0.00 175.22 174.75 3cfk s ASP 98 N -4.24 -0.25 0.36 6.13 -1.08 -1.26 -4.93 116.67 111.40 3cfk s ASP 98 Ca 0.51 -0.21 0.06 0.00 -0.52 0.00 0.00 52.55 52.39 3cfk s ASP 98 Cb -0.10 0.32 0.67 0.00 -1.46 0.00 0.00 42.92 42.35 3cfk s ASP 98 CO 0.43 -0.02 1.91 0.58 0.52 0.00 0.00 175.17 178.59 3cfk h VAL 99 N 2.92 1.18 -0.21 1.11 2.07 -1.98 -1.67 116.25 119.67 3cfk h VAL 99 Ca -0.02 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3cfk h VAL 99 Cb 1.20 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 3cfk h VAL 99 CO -0.10 0.24 0.03 1.88 0.02 0.00 0.00 177.57 179.64 3cfk h TYR 100 N 0.46 0.37 0.00 1.57 0.05 -2.06 -3.06 116.97 114.30 3cfk h TYR 100 Ca 0.10 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3cfk h TYR 100 Cb 0.28 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.92 3cfk h TYR 100 CO 0.01 0.49 0.00 0.09 -1.05 0.00 0.00 178.16 177.70 3cfk n ASN 100 N -4.73 0.41 -2.40 3.88 3.02 -1.06 -5.25 115.26 109.13 3cfk n ASN 100 Ca -0.04 0.55 -0.02 0.00 -0.03 0.00 0.00 54.58 55.05 3cfk n ASN 100 Cb 0.20 -0.66 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 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 -1.90 -2.76 0.00 3.10 8.25 -0.65 -5.10 115.22 116.15 3cfk n HIS 100 Ca 0.05 1.19 0.00 0.00 -0.26 0.00 0.00 57.72 58.70 3cfk n HIS 100 Cb 0.33 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.11 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 0.23 0.00 -4.93 4.41 4.02 -1.26 -5.05 117.16 114.58 3cfk n TYR 100 Ca 0.03 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.65 3cfk n TYR 100 Cb 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.27 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 1.59 -0.88 -0.72 1.01 -0.84 -4.98 120.40 115.58 3cfk s VAL 100 Ca 0.00 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 3cfk s VAL 100 Cb 0.00 -1.33 0.11 0.00 0.00 0.00 0.00 36.38 35.16 3cfk s VAL 100 CO 0.00 0.41 1.11 -0.76 0.00 0.00 0.00 175.10 175.87 3cfk s LEU 100 N -0.57 4.81 -0.20 3.92 1.43 -1.26 -0.50 118.68 126.32 3cfk s LEU 100 Ca 0.08 -1.78 -0.10 0.00 -1.03 0.00 0.00 54.13 51.29 3cfk s LEU 100 Cb -0.08 -2.41 -0.20 0.00 0.03 0.00 0.00 46.19 43.53 3cfk s LEU 100 CO -0.00 -1.17 0.08 -0.90 0.23 0.00 0.00 176.35 174.58 3cfk n ASP 101 N 6.95 2.00 -4.47 2.29 5.75 -0.65 -4.88 116.55 123.54 3cfk n ASP 101 Ca 0.19 0.22 -0.33 0.00 -0.01 0.00 0.00 54.79 54.85 3cfk n ASP 101 Cb 0.48 -0.79 -0.13 0.00 -1.03 0.00 0.00 41.12 39.65 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 2.86 -0.02 2.11 2.02 -1.25 -5.00 117.35 115.59 3cfk s TYR 102 Ca -0.30 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 56.16 3cfk s TYR 102 Cb 0.08 -1.79 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3cfk s TYR 102 CO 0.64 0.04 -0.24 -1.58 -1.57 0.00 0.00 175.55 172.84 3cfk s TRP 103 N -0.16 2.14 0.92 2.71 0.52 -1.26 -0.98 118.94 122.83 3cfk s TRP 103 Ca 0.01 -0.40 -0.12 0.00 0.02 0.00 0.00 56.10 55.60 3cfk s TRP 103 Cb -0.13 -1.37 0.14 0.00 -1.15 0.00 0.00 33.47 30.96 3cfk s TRP 103 CO 0.03 -0.03 1.13 0.20 0.02 0.00 0.00 176.95 178.30 3cfk s GLY 104 N -0.58 1.57 0.41 0.98 0.00 0.65 -4.85 107.32 105.51 3cfk s GLY 104 Ca 0.09 -0.50 0.22 0.00 0.00 0.00 0.00 44.72 44.53 3cfk s GLY 104 CO -0.01 0.06 1.71 1.46 0.00 0.00 0.00 173.10 176.32 3cfk h GLN 105 N -1.55 0.00 0.00 2.90 4.20 -1.90 -3.44 115.11 115.33 3cfk h GLN 105 Ca -0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.20 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 0.61 0.24 0.00 0.41 -0.67 0.00 0.00 178.83 179.43 3cfk n GLY 106 N 0.55 1.81 3.22 3.46 0.00 -1.26 -4.97 105.19 108.00 3cfk n GLY 106 Ca 0.01 -1.77 -0.29 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 -2.52 1.75 0.07 2.61 -1.32 -0.90 -4.86 115.64 110.47 3cfk s THR 107 Ca 0.00 -0.91 -0.27 0.00 -1.21 0.00 0.00 61.69 59.30 3cfk s THR 107 Cb 0.00 -1.48 -0.06 0.00 -1.51 0.00 0.00 72.50 69.46 3cfk s THR 107 CO 0.00 0.49 0.83 -0.55 -2.21 0.00 0.00 174.62 173.18 3cfk s SER 108 N -0.22 7.31 -0.11 8.08 0.15 -1.26 -1.70 113.70 125.94 3cfk s SER 108 Ca 0.00 1.56 0.02 0.00 0.70 0.00 0.00 55.95 58.24 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 0.02 -0.01 -0.18 -0.69 1.20 0.00 0.00 173.24 173.57 3cfk s VAL 109 N -0.05 1.73 -0.10 4.45 1.01 -0.41 -0.32 120.40 126.70 3cfk s VAL 109 Ca 0.41 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3cfk s VAL 109 Cb -0.21 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.62 3cfk s VAL 109 CO 0.25 0.49 -0.24 -0.89 0.00 0.00 0.00 175.10 174.71 3cfk s THR 110 N 0.82 2.04 -0.33 3.92 2.01 -0.58 -1.59 115.64 121.93 3cfk s THR 110 Ca -0.09 -1.01 -0.10 0.00 0.31 0.00 0.00 61.69 60.80 3cfk s THR 110 Cb -0.16 -1.77 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 3cfk s THR 110 CO 0.00 0.56 0.18 -0.69 -0.69 0.00 0.00 174.62 173.98 3cfk s VAL 111 N 0.39 4.72 -0.17 3.82 1.01 -1.26 -0.83 120.40 128.08 3cfk s VAL 111 Ca -0.18 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3cfk s VAL 111 Cb -0.18 -3.45 0.12 0.00 0.00 0.00 0.00 36.38 32.87 3cfk s VAL 111 CO 0.08 -0.01 0.96 -0.55 0.00 0.00 0.00 175.10 175.57 3cfk s SER 112 N 1.62 -0.43 0.00 3.32 0.15 -0.43 -4.50 113.70 113.43 3cfk s SER 112 Ca 0.04 0.54 0.26 0.00 0.70 0.00 0.00 55.95 57.49 3cfk s SER 112 Cb -0.18 0.45 0.63 0.00 -1.71 0.00 0.00 66.02 65.21 3cfk s SER 112 CO 0.07 -0.34 1.49 -1.54 1.20 0.00 0.00 173.24 174.12 3cfk n SER 113 N 1.03 1.65 -4.74 5.45 3.41 -1.26 -4.19 113.62 114.98 3cfk n SER 113 Ca -0.12 -1.36 -0.35 0.00 -0.26 0.00 0.00 58.87 56.78 3cfk n SER 113 Cb 0.57 0.13 0.06 0.00 -0.26 0.00 0.00 64.21 64.72 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 -2.26 2.38 0.43 7.33 0.00 -1.26 -5.03 121.76 123.35 3cfk s ALA 114 Ca 0.28 0.97 -0.01 0.00 0.00 0.00 0.00 51.96 53.20 3cfk s ALA 114 Cb 0.20 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 3cfk s ALA 114 CO 0.44 -1.47 0.67 -1.54 0.00 0.00 0.00 175.76 173.86 3cfk s SER 115 N -1.78 6.03 0.48 0.00 1.04 -1.26 -5.06 113.70 113.16 3cfk s SER 115 Ca 0.76 0.47 -0.23 0.00 0.48 0.00 0.00 55.95 57.44 3cfk s SER 115 Cb -0.30 -1.82 -0.07 0.00 0.10 0.00 0.00 66.02 63.93 3cfk s SER 115 CO 0.39 -0.58 1.23 -0.89 0.98 0.00 0.00 173.24 174.36 3cfk s THR 116 N -2.54 2.77 -0.07 2.02 2.01 -1.26 -4.80 115.64 113.76 3cfk s THR 116 Ca 0.46 0.58 -0.03 0.00 0.31 0.00 0.00 61.69 63.01 3cfk s THR 116 Cb -0.10 -3.30 0.04 0.00 0.01 0.00 0.00 72.50 69.16 3cfk s THR 116 CO 0.39 -0.00 0.14 -0.75 -0.69 0.00 0.00 174.62 173.70 3cfk s LYS 117 N -2.74 0.03 0.58 4.92 2.20 0.33 -4.93 119.74 120.13 3cfk s LYS 117 Ca 0.66 0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 56.56 3cfk s LYS 117 Cb -0.33 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.69 3cfk s LYS 117 CO 0.39 -0.26 1.08 0.20 -0.36 0.00 0.00 175.35 176.40 3cfk s GLY 118 N 1.87 2.29 0.50 5.54 0.00 -1.26 -1.06 107.32 115.19 3cfk s GLY 118 Ca -0.01 0.54 -0.15 0.00 0.00 0.00 0.00 44.72 45.10 3cfk s GLY 118 CO -0.05 0.87 0.95 2.56 0.00 0.00 0.00 173.10 177.43 3cfk s PRO 119 N -3.80 3.90 0.07 2.90 0.04 -1.26 -4.51 135.00 132.35 3cfk s PRO 119 Ca 0.67 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 3cfk s PRO 119 Cb -0.18 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 3cfk s PRO 119 CO 0.33 -0.24 0.45 -1.12 0.04 0.00 0.00 177.00 176.47 3cfk s SER 120 N -3.13 6.76 -0.19 6.66 0.01 -0.08 -4.92 113.70 118.81 3cfk s SER 120 Ca 0.57 0.95 -0.01 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 63.90 3cfk s SER 120 CO 0.32 0.20 -0.15 -0.69 0.41 0.00 0.00 173.24 173.34 3cfk s VAL 121 N -1.31 2.49 -0.04 3.43 1.01 -1.26 -0.67 120.40 124.05 3cfk s VAL 121 Ca 0.31 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3cfk s VAL 121 Cb -0.15 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3cfk s VAL 121 CO 0.17 0.50 -0.25 -0.36 0.00 0.00 0.00 175.10 175.16 3cfk s PHE 122 N 1.33 2.39 0.38 5.22 0.08 0.01 -4.95 117.98 122.43 3cfk s PHE 122 Ca 0.05 -0.56 -0.26 0.00 0.12 0.00 0.00 56.93 56.28 3cfk s PHE 122 Cb -0.13 -1.55 -0.09 0.00 -0.57 0.00 0.00 43.02 40.68 3cfk s PHE 122 CO -0.09 -0.12 1.17 -1.25 -0.10 0.00 0.00 175.22 174.83 3cfk s PRO 123 N -0.41 4.14 -0.74 0.24 0.04 -1.26 -0.18 135.00 136.83 3cfk s PRO 123 Ca 0.04 1.85 -0.08 0.00 0.04 0.00 0.00 61.00 62.85 3cfk s PRO 123 Cb -0.12 -2.75 0.19 0.00 0.04 0.00 0.00 34.50 31.87 3cfk s PRO 123 CO 0.01 -0.25 0.61 -0.51 0.04 0.00 0.00 177.00 176.90 3cfk s LEU 124 N -2.35 5.93 0.26 -3.56 1.43 0.22 -4.78 118.68 115.82 3cfk s LEU 124 Ca 0.55 -2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 50.50 3cfk s LEU 124 Cb -0.31 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 43.80 3cfk s LEU 124 CO 0.39 -0.44 1.36 0.00 0.23 0.00 0.00 176.35 177.89 3cfk s ALA 125 N -0.07 3.56 0.53 4.21 0.00 -1.26 -1.62 121.76 127.12 3cfk s ALA 125 Ca 0.18 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.30 3cfk s ALA 125 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3cfk s ALA 125 CO -0.06 -0.65 0.89 -1.25 0.00 0.00 0.00 175.76 174.69 3cfk s PRO 126 N -0.68 3.60 -0.04 0.00 0.04 -1.26 -4.89 135.00 131.78 3cfk s PRO 126 Ca 0.56 0.47 0.02 0.00 0.04 0.00 0.00 61.00 62.08 3cfk s PRO 126 Cb -0.40 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 31.91 3cfk s PRO 126 CO 0.44 -0.34 -0.06 0.45 0.04 0.00 0.00 177.00 177.53 3cfk s SER 127 N -4.01 1.03 0.50 6.66 0.15 -1.26 -2.25 113.70 114.51 3cfk s SER 127 Ca 0.51 -0.15 0.31 0.00 0.70 0.00 0.00 55.95 57.32 3cfk s SER 127 Cb -0.11 -0.40 1.42 0.00 -1.71 0.00 0.00 66.02 65.22 3cfk s SER 127 CO 0.47 0.00 1.81 -1.28 1.20 0.00 0.00 173.24 175.44 3cfk h SER 128 N 6.80 0.13 0.57 5.45 0.87 -1.97 -0.80 113.55 124.60 3cfk h SER 128 Ca -0.35 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 63.13 3cfk h SER 128 CO 0.48 0.02 -0.25 0.29 -0.53 0.00 0.00 176.83 176.84 3cfk n LYS 129 N -4.32 0.25 -2.78 2.24 5.02 -1.26 -4.35 118.16 112.95 3cfk n LYS 129 Ca 0.24 -0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.13 3cfk n LYS 129 Cb 1.10 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.59 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 -1.28 5.18 -4.90 4.39 7.64 -0.31 -5.05 113.62 119.30 3cfk n SER 130 Ca 0.09 -3.70 -0.30 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 62.80 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 -4.62 5.23 -0.12 0.44 -4.23 -1.26 -4.63 115.64 106.46 3cfk s THR 133 Ca 0.47 -0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.39 3cfk s THR 133 Cb 0.28 -3.57 0.04 0.00 1.34 0.00 0.00 72.50 70.60 3cfk s THR 133 CO -0.16 0.10 0.31 -0.55 -0.54 0.00 0.00 174.62 173.79 3cfk s SER 134 N -2.59 -0.34 -1.49 3.99 0.15 -0.34 -4.89 113.70 108.19 3cfk s SER 134 Ca 0.34 0.64 -0.10 0.00 0.70 0.00 0.00 55.95 57.53 3cfk s SER 134 Cb -0.13 0.60 0.07 0.00 -1.71 0.00 0.00 66.02 64.85 3cfk s SER 134 CO 0.27 -0.14 0.88 0.61 1.20 0.00 0.00 173.24 176.06 3cfk n GLY 135 N 3.45 -0.43 2.54 9.45 0.00 -1.26 -1.34 105.19 117.59 3cfk n GLY 135 Ca -0.18 0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.17 3.23 -0.02 0.00 -1.26 -4.99 105.19 101.66 3cfk n GLY 136 Ca -0.05 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.20 1.21 -0.07 2.61 -4.23 -0.45 -2.28 115.64 110.22 3cfk s THR 137 Ca 0.00 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3cfk s THR 137 Cb 0.00 -1.59 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 3cfk s THR 137 CO 0.00 -0.54 -0.07 0.00 -0.54 0.00 0.00 174.62 173.47 3cfk s ALA 138 N -2.55 2.97 -0.03 3.99 0.00 0.71 -1.20 121.76 125.65 3cfk s ALA 138 Ca 0.11 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3cfk s ALA 138 Cb -0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3cfk s ALA 138 CO 0.02 0.55 -0.10 0.00 0.00 0.00 0.00 175.76 176.23 3cfk s ALA 139 N -0.74 2.87 0.12 0.00 0.00 -1.26 -1.21 121.76 121.54 3cfk s ALA 139 Ca 0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 3cfk s ALA 139 Cb -0.11 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 3cfk s ALA 139 CO 0.02 0.58 0.20 -0.48 0.00 0.00 0.00 175.76 176.08 3cfk s LEU 140 N -1.05 1.33 0.00 0.00 0.05 0.03 -4.01 118.68 115.03 3cfk s LEU 140 Ca 0.14 -0.82 -0.08 0.00 0.05 0.00 0.00 54.13 53.42 3cfk s LEU 140 Cb -0.11 0.98 0.03 0.00 -2.05 0.00 0.00 46.19 45.04 3cfk s LEU 140 CO 0.03 -0.79 0.38 0.61 -0.55 0.00 0.00 176.35 176.04 3cfk n GLY 141 N -0.12 0.76 2.99 -3.48 0.00 -0.64 0.44 105.19 105.15 3cfk n GLY 141 Ca -0.11 -0.94 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 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 0.34 4.50 -0.45 0.00 2.96 0.74 -1.16 118.68 125.61 3cfk s LEU 143 Ca -0.06 -0.30 -0.14 0.00 -0.22 0.00 0.00 54.13 53.41 3cfk s LEU 143 Cb -0.10 -2.32 0.07 0.00 0.50 0.00 0.00 46.19 44.34 3cfk s LEU 143 CO 0.01 -0.35 0.35 -0.69 -1.32 0.00 0.00 176.35 174.35 3cfk s VAL 144 N 1.99 5.00 0.03 1.68 1.01 0.83 -0.81 120.40 130.13 3cfk s VAL 144 Ca 0.11 -1.08 0.08 0.00 0.00 0.00 0.00 61.98 61.08 3cfk s VAL 144 Cb -0.17 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3cfk s VAL 144 CO 0.12 -0.52 -0.23 -0.75 0.00 0.00 0.00 175.10 173.71 3cfk s LYS 145 N 1.60 1.65 -0.68 2.72 2.20 0.15 -1.01 119.74 126.37 3cfk s LYS 145 Ca 0.04 -0.97 -0.04 0.00 -0.36 0.00 0.00 55.97 54.64 3cfk s LYS 145 Cb -0.23 -1.74 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 3cfk s LYS 145 CO 0.06 0.46 0.59 -0.25 -0.36 0.00 0.00 175.35 175.85 3cfk n ASP 146 N 1.98 -5.05 -4.39 1.43 8.00 -0.58 -0.91 116.55 117.04 3cfk n ASP 146 Ca -0.17 -0.45 -0.22 0.00 0.71 0.00 0.00 54.79 54.66 3cfk n ASP 146 Cb 0.52 -3.57 -0.10 0.00 -0.02 0.00 0.00 41.12 37.95 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 -3.25 1.99 -0.27 1.24 1.13 -0.75 -4.23 117.35 113.21 3cfk s TYR 147 Ca 0.29 -0.45 -0.21 0.00 -1.41 0.00 0.00 57.07 55.29 3cfk s TYR 147 Cb -0.04 -0.92 0.07 0.00 -1.10 0.00 0.00 41.96 39.98 3cfk s TYR 147 CO 0.48 0.49 0.69 0.12 -2.51 0.00 0.00 175.55 174.83 3cfk s PHE 148 N -2.49 -0.88 0.35 -3.49 5.36 -0.22 -0.65 117.98 115.95 3cfk s PHE 148 Ca 0.23 1.97 -0.01 0.00 -0.96 0.00 0.00 56.93 58.17 3cfk s PHE 148 Cb -0.04 0.40 0.07 0.00 -0.34 0.00 0.00 43.02 43.11 3cfk s PHE 148 CO 0.10 -0.43 0.48 -0.35 -1.46 0.00 0.00 175.22 173.56 3cfk n PRO 149 N 3.32 0.21 -0.88 10.12 -0.04 -1.26 -0.51 135.00 145.96 3cfk n PRO 149 Ca -0.16 -1.24 -0.31 0.00 -0.04 0.00 0.00 63.50 61.75 3cfk n PRO 149 Cb 0.57 -0.34 0.15 0.00 -0.04 0.00 0.00 33.50 33.84 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 -3.70 1.30 0.44 0.54 0.41 -1.26 -4.76 118.70 111.66 3cfk s GLU 150 Ca 0.31 1.37 0.08 0.00 -0.41 0.00 0.00 54.97 56.32 3cfk s GLU 150 Cb -0.02 -1.77 0.01 0.00 -1.78 0.00 0.00 34.13 30.57 3cfk s GLU 150 CO 0.21 -2.38 0.53 -1.25 -0.49 0.00 0.00 175.26 171.88 3cfk s PRO 151 N -4.73 2.67 0.05 0.39 0.04 -1.26 -4.95 135.00 127.21 3cfk s PRO 151 Ca 0.65 -1.40 0.07 0.00 0.04 0.00 0.00 61.00 60.36 3cfk s PRO 151 Cb -0.21 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.68 3cfk s PRO 151 CO 0.58 -0.33 -0.17 0.14 0.04 0.00 0.00 177.00 177.27 3cfk s VAL 152 N -2.43 2.91 -0.10 -0.36 -7.23 -1.26 -4.51 120.40 107.42 3cfk s VAL 152 Ca 0.53 -1.20 -0.03 0.00 -1.81 0.00 0.00 61.98 59.47 3cfk s VAL 152 Cb -0.07 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3cfk s VAL 152 CO 0.32 0.29 0.04 0.42 -0.31 0.00 0.00 175.10 175.86 3cfk s THR 153 N -0.98 4.65 -0.03 5.32 -4.23 -0.79 -4.98 115.64 114.61 3cfk s THR 153 Ca 0.16 -0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.60 3cfk s THR 153 Cb -0.11 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 3cfk s THR 153 CO 0.07 0.61 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.91 3cfk s VAL 154 N -0.89 1.27 0.23 2.29 1.01 -1.26 -1.58 120.40 121.47 3cfk s VAL 154 Ca 0.13 -0.65 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 3cfk s VAL 154 Cb -0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 3cfk s VAL 154 CO 0.03 0.37 0.28 -0.94 0.00 0.00 0.00 175.10 174.84 3cfk s SER 156 N -0.12 0.20 -0.13 3.32 1.04 -0.33 -4.98 113.70 112.71 3cfk s SER 156 Ca 0.01 -1.26 0.03 0.00 0.48 0.00 0.00 55.95 55.20 3cfk s SER 156 Cb -0.09 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.52 3cfk s SER 156 CO 0.01 -0.99 -0.21 0.26 0.98 0.00 0.00 173.24 173.29 3cfk s TRP 157 N -3.99 2.51 -1.20 5.02 0.52 -1.26 0.11 118.94 120.64 3cfk s TRP 157 Ca 0.33 -1.22 -0.08 0.00 0.02 0.00 0.00 56.10 55.15 3cfk s TRP 157 Cb 0.04 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 3cfk s TRP 157 CO 0.12 -0.56 0.76 0.09 0.02 0.00 0.00 176.95 177.39 3cfk n ASN 162 N 4.01 -3.60 -3.07 2.95 3.02 0.63 -2.01 115.26 117.19 3cfk n ASN 162 Ca -0.20 -0.88 -0.19 0.00 -0.03 0.00 0.00 54.58 53.29 3cfk n ASN 162 Cb 0.52 -4.00 -0.00 0.00 -0.61 0.00 0.00 39.78 35.68 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 -2.95 -3.68 0.00 6.41 7.64 -1.26 -1.02 113.62 118.76 3cfk n SER 163 Ca -0.19 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.50 3cfk n SER 163 Cb 0.64 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.76 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 -1.05 1.33 0.24 0.23 0.00 -0.94 -4.91 105.19 100.09 3cfk n GLY 164 Ca -0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 1.38 -3.03 4.61 0.00 -1.04 -3.41 119.26 117.77 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 -0.27 0.00 0.00 0.00 0.00 17.79 17.49 3cfk h ALA 165 CO 0.00 0.23 -0.60 -1.17 0.00 0.00 0.00 179.25 177.71 3cfk s LEU 166 N -7.71 4.18 0.00 0.00 2.96 -0.85 -4.91 118.68 112.34 3cfk s LEU 166 Ca -0.03 -0.91 0.00 0.00 -0.22 0.00 0.00 54.13 52.97 3cfk s LEU 166 Cb 0.14 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.92 3cfk s LEU 166 CO 0.64 -0.27 0.00 0.35 -1.32 0.00 0.00 176.35 175.74 3cfk n THR 167 N 4.87 0.00 -1.67 3.68 -2.24 -1.26 -4.31 114.28 113.35 3cfk n THR 167 Ca -0.13 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.19 3cfk n THR 167 Cb 0.46 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.29 2.90 0.00 3.42 7.64 -1.26 -2.12 113.62 121.92 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 0.40 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 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 2.91 1.20 3.74 0.23 0.00 -1.26 -4.79 105.19 107.21 3cfk n GLY 169 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.59 4.82 -0.15 1.61 1.01 -0.90 -2.13 120.40 121.08 3cfk s VAL 171 Ca 0.00 1.55 -0.02 0.00 0.00 0.00 0.00 61.98 63.51 3cfk s VAL 171 Cb 0.00 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.35 3cfk s VAL 171 CO 0.00 0.35 -0.00 -1.00 0.00 0.00 0.00 175.10 174.45 3cfk s HIS 172 N 0.10 1.10 -0.25 5.22 3.76 -0.08 -5.00 115.29 120.15 3cfk s HIS 172 Ca 0.38 -0.70 -0.12 0.00 -0.15 0.00 0.00 55.06 54.47 3cfk s HIS 172 Cb -0.20 -1.04 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 3cfk s HIS 172 CO 0.21 -0.52 0.24 0.99 -0.85 0.00 0.00 174.74 174.81 3cfk s THR 173 N 1.83 5.29 0.30 1.30 2.01 -1.26 -0.75 115.64 124.36 3cfk s THR 173 Ca 0.02 0.32 -0.14 0.00 0.31 0.00 0.00 61.69 62.20 3cfk s THR 173 Cb -0.15 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 3cfk s THR 173 CO -0.07 0.27 0.70 -0.36 -0.69 0.00 0.00 174.62 174.47 3cfk s PHE 174 N 1.50 3.39 0.29 4.92 0.40 -0.28 -5.01 117.98 123.19 3cfk s PHE 174 Ca 0.10 1.17 -0.28 0.00 -0.60 0.00 0.00 56.93 57.32 3cfk s PHE 174 Cb -0.15 -2.49 -0.14 0.00 0.51 0.00 0.00 43.02 40.75 3cfk s PHE 174 CO 0.08 0.13 1.06 -2.30 0.70 0.00 0.00 175.22 174.89 3cfk n PRO 175 N -0.29 1.47 -2.07 0.24 -0.02 -1.26 -4.54 135.00 128.53 3cfk n PRO 175 Ca 0.03 0.52 -0.36 0.00 -2.02 0.00 0.00 63.50 61.67 3cfk n PRO 175 Cb 0.53 -1.93 0.03 0.00 -0.02 0.00 0.00 33.50 32.11 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 -1.02 2.59 0.02 3.55 0.00 -1.26 -4.79 121.76 120.85 3cfk s ALA 176 Ca 0.59 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.59 3cfk s ALA 176 Cb -0.68 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 18.97 3cfk s ALA 176 CO 0.60 -1.07 -0.18 0.08 0.00 0.00 0.00 175.76 175.19 3cfk s VAL 177 N -1.62 2.79 -0.32 0.00 1.01 0.44 -4.94 120.40 117.75 3cfk s VAL 177 Ca 0.76 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 3cfk s VAL 177 Cb -0.29 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3cfk s VAL 177 CO 0.32 0.40 0.42 -0.22 0.00 0.00 0.00 175.10 176.02 3cfk s LEU 178 N -1.25 4.28 0.65 3.92 2.96 -1.26 -1.24 118.68 126.74 3cfk s LEU 178 Ca 0.14 0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.97 3cfk s LEU 178 Cb -0.10 -2.46 0.01 0.00 0.50 0.00 0.00 46.19 44.13 3cfk s LEU 178 CO 0.04 -0.34 1.00 -1.10 -1.32 0.00 0.00 176.35 174.63 3cfk s GLN 179 N 2.17 2.96 0.51 1.98 -0.21 -0.21 -4.94 119.66 121.92 3cfk s GLN 179 Ca 0.15 0.29 0.34 0.00 0.02 0.00 0.00 55.36 56.16 3cfk s GLN 179 Cb -0.16 -2.14 1.60 0.00 1.00 0.00 0.00 33.01 33.32 3cfk s GLN 179 CO 0.12 -0.84 2.02 0.66 -2.12 0.00 0.00 175.29 175.12 3cfk h SER 180 N -0.41 0.00 0.68 5.90 4.64 -1.98 -0.03 113.55 122.35 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 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 3cfk n SER 182 N -2.83 0.40 0.00 4.97 3.41 -1.26 -4.89 113.62 113.42 3cfk n SER 182 Ca -0.00 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 3cfk n SER 182 Cb 0.19 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 0.11 0.74 3.77 5.00 0.00 -0.02 -5.06 105.19 109.73 3cfk n GLY 183 Ca 0.03 0.00 -0.28 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 3.72 0.39 0.99 1.43 -1.26 -4.87 118.68 119.08 3cfk s LEU 184 Ca 0.00 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3cfk s LEU 184 Cb 0.00 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 3cfk s LEU 184 CO 0.00 0.11 0.63 -0.31 0.23 0.00 0.00 176.35 177.01 3cfk s TYR 185 N -1.60 3.52 -0.15 0.29 2.02 0.18 -1.04 117.35 120.57 3cfk s TYR 185 Ca 0.30 0.53 -0.16 0.00 -0.37 0.00 0.00 57.07 57.36 3cfk s TYR 185 Cb -0.11 -2.05 0.04 0.00 -0.40 0.00 0.00 41.96 39.45 3cfk s TYR 185 CO 0.22 -0.00 0.45 0.45 -1.57 0.00 0.00 175.55 175.09 3cfk s SER 186 N -3.98 -0.45 0.08 2.29 0.15 -0.37 -1.53 113.70 109.89 3cfk s SER 186 Ca 0.43 0.81 -0.14 0.00 0.70 0.00 0.00 55.95 57.75 3cfk s SER 186 Cb -0.10 0.84 0.02 0.00 -1.71 0.00 0.00 66.02 65.07 3cfk s SER 186 CO 0.38 -0.21 0.32 -1.48 1.20 0.00 0.00 173.24 173.46 3cfk s LEU 187 N 0.00 0.78 0.10 3.45 0.05 -0.18 -0.42 118.68 122.46 3cfk s LEU 187 Ca -0.02 -0.31 0.07 0.00 0.05 0.00 0.00 54.13 53.92 3cfk s LEU 187 Cb -0.03 1.49 -0.03 0.00 -2.05 0.00 0.00 46.19 45.56 3cfk s LEU 187 CO 0.01 -0.72 -0.18 -0.94 -0.55 0.00 0.00 176.35 173.97 3cfk s SER 188 N -2.47 2.21 -0.04 1.48 1.04 -1.26 -0.12 113.70 114.53 3cfk s SER 188 Ca -0.00 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.76 3cfk s SER 188 Cb 0.01 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.04 3cfk s SER 188 CO -0.08 -0.02 -0.11 -0.55 0.98 0.00 0.00 173.24 173.46 3cfk s SER 189 N -1.98 1.55 0.10 7.02 0.15 -0.31 -1.13 113.70 119.11 3cfk s SER 189 Ca 0.05 -0.25 0.05 0.00 0.70 0.00 0.00 55.95 56.50 3cfk s SER 189 Cb -0.09 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.63 3cfk s SER 189 CO 0.04 0.06 -0.13 0.68 1.20 0.00 0.00 173.24 175.09 3cfk s VAL 190 N 0.38 1.16 -0.06 4.45 -7.23 0.07 -0.88 120.40 118.29 3cfk s VAL 190 Ca -0.08 -1.60 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 3cfk s VAL 190 Cb -0.12 -1.38 -0.00 0.00 0.56 0.00 0.00 36.38 35.44 3cfk s VAL 190 CO 0.02 -0.42 -0.18 -0.69 -0.31 0.00 0.00 175.10 173.52 3cfk s VAL 191 N -2.05 1.51 -0.03 1.32 1.01 0.17 -0.90 120.40 121.43 3cfk s VAL 191 Ca 0.05 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.31 3cfk s VAL 191 Cb -0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3cfk s VAL 191 CO 0.02 0.43 -0.06 0.42 0.00 0.00 0.00 175.10 175.91 3cfk s THR 192 N 0.17 3.73 0.04 3.92 -4.23 -0.90 -0.79 115.64 117.58 3cfk s THR 192 Ca -0.08 -0.61 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 3cfk s THR 192 Cb -0.13 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 3cfk s THR 192 CO 0.03 0.49 -0.06 0.68 -0.54 0.00 0.00 174.62 175.23 3cfk s VAL 193 N -0.92 0.43 0.22 2.29 -7.23 -0.35 -4.55 120.40 110.30 3cfk s VAL 193 Ca 0.15 -1.20 -0.32 0.00 -1.81 0.00 0.00 61.98 58.80 3cfk s VAL 193 Cb -0.11 -0.73 -0.13 0.00 0.56 0.00 0.00 36.38 35.97 3cfk s VAL 193 CO 0.05 -0.52 1.48 -2.65 -0.31 0.00 0.00 175.10 173.15 3cfk n PRO 194 N 1.20 2.13 -0.26 4.82 -0.02 -1.26 -0.21 135.00 141.40 3cfk n PRO 194 Ca -0.21 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.03 3cfk n PRO 194 Cb 0.56 -2.47 0.06 0.00 -0.02 0.00 0.00 33.50 31.63 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 4.84 -0.91 0.30 2.55 0.02 -1.74 -0.01 113.55 118.59 3cfk h SER 195 Ca -0.45 0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 3cfk h SER 195 Cb 1.26 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.34 3cfk h SER 195 CO 0.80 -0.27 0.00 -1.20 -1.14 0.00 0.00 176.83 175.02 3cfk n SER 196 N -5.48 0.35 -0.87 3.07 7.64 -1.26 -2.01 113.62 115.05 3cfk n SER 196 Ca 0.09 0.62 0.10 0.00 1.01 0.00 0.00 58.87 60.69 3cfk n SER 196 Cb 0.38 -0.68 0.28 0.00 -1.01 0.00 0.00 64.21 63.17 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 -1.93 2.59 0.29 6.43 3.41 -0.02 -4.67 113.62 119.72 3cfk n SER 197 Ca 0.01 -1.89 -0.17 0.00 -0.26 0.00 0.00 58.87 56.56 3cfk n SER 197 Cb 0.11 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.75 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 3.23 -0.92 0.00 1.04 5.85 -1.50 -2.01 115.31 121.00 3cfk h LEU 198 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3cfk h LEU 198 Cb 0.72 0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3cfk h LEU 198 CO 0.00 -0.54 0.00 0.61 -0.34 0.00 0.00 178.44 178.17 3cfk n GLY 199 N -1.48 -0.58 0.20 3.75 0.00 -1.26 -3.86 105.19 101.95 3cfk n GLY 199 Ca -0.11 -0.09 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 0.75 -3.46 2.61 2.02 -1.67 -3.46 112.91 109.70 3cfk h THR 200 Ca 0.00 -1.36 -0.04 0.00 0.77 0.00 0.00 66.41 65.78 3cfk h THR 200 Cb 0.05 1.87 -0.11 0.00 -1.74 0.00 0.00 68.15 68.22 3cfk h THR 200 CO 0.00 0.31 -0.06 0.00 0.37 0.00 0.00 175.52 176.14 3cfk s GLN 203 N -3.62 1.32 0.16 6.66 -2.07 -1.25 -5.16 119.66 115.69 3cfk s GLN 203 Ca 0.00 -0.94 -0.21 0.00 -1.82 0.00 0.00 55.36 52.39 3cfk s GLN 203 Cb 0.11 0.48 -0.08 0.00 -1.09 0.00 0.00 33.01 32.43 3cfk s GLN 203 CO 0.67 -0.54 0.69 0.99 -1.32 0.00 0.00 175.29 175.78 3cfk s THR 205 N -3.90 4.56 -0.18 3.63 2.01 -1.26 -5.04 115.64 115.45 3cfk s THR 205 Ca 0.11 1.39 0.01 0.00 0.31 0.00 0.00 61.69 63.52 3cfk s THR 205 Cb 0.00 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.57 3cfk s THR 205 CO -0.02 0.42 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.84 3cfk s TYR 206 N -1.27 2.69 -0.11 4.92 2.02 -1.26 -4.96 117.35 119.38 3cfk s TYR 206 Ca 0.36 -1.63 0.01 0.00 -0.37 0.00 0.00 57.07 55.44 3cfk s TYR 206 Cb -0.20 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 3cfk s TYR 206 CO 0.22 -0.79 -0.11 0.42 -1.57 0.00 0.00 175.55 173.72 3cfk s ILE 207 N 1.32 1.25 -0.09 2.71 1.01 -1.26 -1.10 121.20 125.03 3cfk s ILE 207 Ca 0.03 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 3cfk s ILE 207 Cb -0.14 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.09 3cfk s ILE 207 CO -0.12 0.40 0.47 0.00 0.00 0.00 0.00 174.94 175.69 3cfk s ASN 209 N 0.31 5.52 -0.15 0.00 -0.87 0.12 -1.47 114.94 118.40 3cfk s ASN 209 Ca 0.26 -0.08 0.01 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 39.10 3cfk s ASN 209 CO 0.11 0.01 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.81 3cfk s VAL 210 N 1.36 1.65 -0.05 1.60 1.01 0.49 -1.19 120.40 125.27 3cfk s VAL 210 Ca 0.06 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3cfk s VAL 210 Cb -0.15 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3cfk s VAL 210 CO 0.05 0.47 -0.20 0.21 0.00 0.00 0.00 175.10 175.63 3cfk s ASN 211 N 1.43 3.55 -0.38 3.32 2.47 -0.62 -0.85 114.94 123.86 3cfk s ASN 211 Ca 0.04 -0.35 0.01 0.00 0.42 0.00 0.00 52.86 52.98 3cfk s ASN 211 Cb -0.13 -0.72 0.13 0.00 -1.45 0.00 0.00 41.25 39.08 3cfk s ASN 211 CO -0.11 0.31 0.20 -2.28 -3.72 0.00 0.00 177.10 171.51 3cfk s HIS 212 N -0.54 1.42 0.21 0.43 5.65 0.31 -1.88 115.29 120.89 3cfk s HIS 212 Ca 0.07 -1.96 -0.09 0.00 0.25 0.00 0.00 55.06 53.34 3cfk s HIS 212 Cb -0.11 -1.48 0.25 0.00 -1.18 0.00 0.00 32.58 30.06 3cfk s HIS 212 CO 0.01 -0.82 1.81 0.87 -0.65 0.00 0.00 174.74 175.96 3cfk h LYS 213 N 7.13 0.69 -0.39 2.88 1.57 -1.81 -2.00 116.57 124.64 3cfk h LYS 213 Ca -0.02 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3cfk h LYS 213 Cb 0.96 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 3cfk h LYS 213 CO 0.40 0.46 0.30 -1.35 -0.57 0.00 0.00 179.45 178.69 3cfk h PRO 214 N 0.71 0.00 -0.30 3.15 0.11 -1.92 -0.99 132.00 132.76 3cfk h PRO 214 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 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 -4.26 2.78 -3.59 -2.05 3.41 -0.98 -4.97 113.62 103.96 3cfk n SER 215 Ca 0.06 -1.92 -0.27 0.00 -0.26 0.00 0.00 58.87 56.48 3cfk n SER 215 Cb 0.49 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 0.53 -4.29 -4.64 4.04 3.02 -0.38 -4.89 115.26 108.66 3cfk n ASN 216 Ca 0.11 -0.56 -0.39 0.00 -0.03 0.00 0.00 54.58 53.71 3cfk n ASN 216 Cb 0.40 -3.49 -0.08 0.00 -0.61 0.00 0.00 39.78 36.01 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 -3.11 5.17 -0.09 3.41 2.01 -0.99 -4.97 115.64 117.07 3cfk s THR 217 Ca 0.51 0.70 0.04 0.00 0.31 0.00 0.00 61.69 63.25 3cfk s THR 217 Cb -0.26 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3cfk s THR 217 CO 0.63 0.19 -0.23 -0.54 -0.69 0.00 0.00 174.62 173.98 3cfk s LYS 218 N 1.74 2.91 -0.02 4.92 1.02 -1.26 -0.53 119.74 128.51 3cfk s LYS 218 Ca 0.18 -0.84 0.01 0.00 0.02 0.00 0.00 55.97 55.34 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 -0.03 0.08 -0.92 0.00 0.00 175.35 174.75 3cfk s VAL 219 N 0.33 0.33 -0.28 3.17 1.01 -0.03 -5.01 120.40 119.93 3cfk s VAL 219 Ca -0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3cfk s VAL 219 Cb -0.18 -0.36 0.03 0.00 0.00 0.00 0.00 36.38 35.87 3cfk s VAL 219 CO 0.08 0.15 0.00 -1.81 0.00 0.00 0.00 175.10 173.52 3cfk s ASP 220 N 0.60 4.72 -0.23 3.32 1.01 -1.26 -0.38 116.67 124.45 3cfk s ASP 220 Ca -0.07 -0.93 -0.03 0.00 0.71 0.00 0.00 52.55 52.23 3cfk s ASP 220 Cb -0.10 -1.75 0.01 0.00 1.01 0.00 0.00 42.92 42.09 3cfk s ASP 220 CO -0.01 -0.19 -0.05 -0.75 0.21 0.00 0.00 175.17 174.38 3cfk s LYS 221 N 1.36 3.15 0.02 8.23 2.47 -0.54 -4.96 119.74 129.47 3cfk s LYS 221 Ca -0.00 -0.77 -0.30 0.00 -1.56 0.00 0.00 55.97 53.33 3cfk s LYS 221 Cb -0.18 -2.99 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 3cfk s LYS 221 CO -0.01 -0.28 1.08 0.21 0.16 0.00 0.00 175.35 176.51 3cfk s LYS 222 N 1.42 4.49 -0.59 4.03 2.20 -1.26 -1.61 119.74 128.42 3cfk s LYS 222 Ca 0.04 1.58 -0.10 0.00 -0.36 0.00 0.00 55.97 57.13 3cfk s LYS 222 Cb -0.15 -3.42 0.15 0.00 -1.51 0.00 0.00 37.83 32.90 3cfk s LYS 222 CO -0.04 -0.17 0.48 0.08 -0.36 0.00 0.00 175.35 175.34 3cfk s VAL 223 N 1.13 4.52 0.07 4.02 1.01 -0.26 -4.95 120.40 125.95 3cfk s VAL 223 Ca 0.55 -2.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.13 3cfk s VAL 223 Cb -0.25 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.16 3cfk s VAL 223 CO 0.28 -0.86 0.76 -1.61 0.00 0.00 0.00 175.10 173.66 3cfk s GLU 226 N 0.82 4.50 0.38 2.72 2.02 -1.26 -4.50 118.70 123.38 3cfk s GLU 226 Ca 0.10 1.07 -0.26 0.00 0.02 0.00 0.00 54.97 55.91 3cfk s GLU 226 Cb -0.22 -3.33 -0.11 0.00 0.10 0.00 0.00 34.13 30.56 3cfk s GLU 226 CO -0.03 0.36 1.12 -2.30 0.02 0.00 0.00 175.26 174.43 3cfk n PRO 227 N 2.48 1.62 0.00 0.39 -0.02 -1.26 -4.47 135.00 133.74 3cfk n PRO 227 Ca -0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3cfk n PRO 227 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3cfk n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11