#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfk s VAL 2 N 0.00 3.93 -0.03 2.62 1.01 -1.26 -3.99 120.40 122.68 3cfk s VAL 2 Ca 0.00 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.63 3cfk s VAL 2 Cb 0.00 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 3cfk s VAL 2 CO 0.00 0.26 -0.13 -0.54 0.00 0.00 0.00 175.10 174.68 3cfk s LYS 3 N -0.15 1.33 -0.45 2.72 1.02 -0.66 -4.99 119.74 118.56 3cfk s LYS 3 Ca 0.50 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 56.05 3cfk s LYS 3 Cb -0.29 -1.21 0.14 0.00 -0.52 0.00 0.00 37.83 35.96 3cfk s LYS 3 CO 0.34 0.20 0.27 -0.51 -0.92 0.00 0.00 175.35 174.73 3cfk s LEU 4 N 0.04 2.44 -0.46 3.17 1.43 -1.26 -2.17 118.68 121.87 3cfk s LEU 4 Ca -0.02 -2.73 -0.21 0.00 -1.03 0.00 0.00 54.13 50.14 3cfk s LEU 4 Cb -0.09 -0.91 0.03 0.00 0.03 0.00 0.00 46.19 45.25 3cfk s LEU 4 CO 0.01 -0.24 0.70 -0.76 0.23 0.00 0.00 176.35 176.29 3cfk s LEU 5 N 0.26 4.47 0.45 1.79 1.43 -0.55 -4.12 118.68 122.41 3cfk s LEU 5 Ca 0.20 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3cfk s LEU 5 Cb -0.19 -2.75 -0.08 0.00 0.03 0.00 0.00 46.19 43.20 3cfk s LEU 5 CO -0.04 -0.87 0.89 -1.61 0.23 0.00 0.00 176.35 174.95 3cfk s GLU 6 N 3.02 3.93 0.31 1.70 8.01 -1.26 -1.72 118.70 132.69 3cfk s GLU 6 Ca 0.24 0.79 -0.18 0.00 0.01 0.00 0.00 54.97 55.83 3cfk s GLU 6 Cb -0.14 -2.25 0.03 0.00 -4.31 0.00 0.00 34.13 27.45 3cfk s GLU 6 CO 0.19 -0.12 0.71 -1.54 0.01 0.00 0.00 175.26 174.51 3cfk s SER 7 N -2.90 -0.14 0.00 -0.19 1.04 -0.04 -4.85 113.70 106.61 3cfk s SER 7 Ca 0.56 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 56.19 3cfk s SER 7 Cb -0.10 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3cfk s SER 7 CO 0.28 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3cfk n GLY 8 N -0.47 0.61 3.93 7.32 0.00 -1.26 -1.29 105.19 114.03 3cfk n GLY 8 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.47 -1.41 0.00 -0.02 0.00 -1.26 -4.67 105.19 96.37 3cfk n GLY 9 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.80 0.85 3.71 -0.02 0.00 0.81 -4.95 105.19 101.80 3cfk n GLY 10 Ca 0.17 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 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 -1.49 118.68 124.34 3cfk s LEU 11 Ca 0.00 1.58 0.06 0.00 -0.22 0.00 0.00 54.13 55.54 3cfk s LEU 11 Cb 0.00 -3.46 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 3cfk s LEU 11 CO 0.00 -0.20 -0.16 0.00 -1.32 0.00 0.00 176.35 174.67 3cfk s ALA 12 N 0.81 1.35 0.28 5.97 0.00 0.31 -4.95 121.76 125.53 3cfk s ALA 12 Ca 0.48 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 3cfk s ALA 12 Cb -0.21 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.69 3cfk s ALA 12 CO 0.26 0.21 0.72 -0.65 0.00 0.00 0.00 175.76 176.30 3cfk s GLN 13 N -1.82 4.07 0.29 0.00 -0.21 -1.26 -1.04 119.66 119.69 3cfk s GLN 13 Ca 0.01 0.71 -0.30 0.00 0.02 0.00 0.00 55.36 55.79 3cfk s GLN 13 Cb -0.10 -2.60 -0.13 0.00 1.00 0.00 0.00 33.01 31.19 3cfk s GLN 13 CO 0.03 0.25 1.43 -2.30 -2.12 0.00 0.00 175.29 172.58 3cfk n PRO 14 N 0.03 2.27 0.00 2.91 -0.02 -1.26 -1.73 135.00 137.19 3cfk n PRO 14 Ca 0.01 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3cfk n PRO 14 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.70 2.95 3.81 -1.23 0.00 0.17 -4.90 105.19 107.70 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 -1.84 1.63 0.39 -0.02 0.00 -0.71 -3.61 107.32 103.17 3cfk s GLY 16 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 44.72 44.01 3cfk s GLY 16 CO 0.00 -0.13 0.09 -1.35 0.00 0.00 0.00 173.10 171.71 3cfk s SER 17 N -4.31 4.21 -0.19 1.64 1.04 -1.26 -2.27 113.70 112.57 3cfk s SER 17 Ca 0.67 -1.13 -0.26 0.00 0.48 0.00 0.00 55.95 55.70 3cfk s SER 17 Cb -0.11 -0.47 0.07 0.00 0.10 0.00 0.00 66.02 65.61 3cfk s SER 17 CO 0.53 -0.44 0.69 -0.22 0.98 0.00 0.00 173.24 174.78 3cfk s LEU 18 N -3.80 -0.66 -0.24 2.42 2.96 0.42 -4.98 118.68 114.80 3cfk s LEU 18 Ca 0.38 1.17 0.02 0.00 -0.22 0.00 0.00 54.13 55.48 3cfk s LEU 18 Cb 0.04 2.44 0.05 0.00 0.50 0.00 0.00 46.19 49.23 3cfk s LEU 18 CO 0.20 -0.37 -0.12 -0.75 -1.32 0.00 0.00 176.35 174.00 3cfk s LYS 19 N -0.17 2.29 0.27 1.98 2.20 -1.26 -0.05 119.74 125.00 3cfk s LYS 19 Ca -0.04 -1.23 -0.08 0.00 -0.36 0.00 0.00 55.97 54.25 3cfk s LYS 19 Cb -0.03 -2.81 -0.07 0.00 -1.51 0.00 0.00 37.83 33.42 3cfk s LYS 19 CO 0.04 -0.52 0.58 -0.51 -0.36 0.00 0.00 175.35 174.59 3cfk s LEU 20 N 1.16 4.09 0.14 5.43 1.43 0.22 -4.62 118.68 126.52 3cfk s LEU 20 Ca -0.07 0.89 -0.04 0.00 -1.03 0.00 0.00 54.13 53.88 3cfk s LEU 20 Cb -0.19 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.32 3cfk s LEU 20 CO -0.06 -0.16 0.15 -0.94 0.23 0.00 0.00 176.35 175.57 3cfk s SER 21 N -2.72 0.20 -0.21 2.29 1.04 -0.41 -1.10 113.70 112.80 3cfk s SER 21 Ca 0.47 -1.07 -0.08 0.00 0.48 0.00 0.00 55.95 55.75 3cfk s SER 21 Cb -0.11 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.45 3cfk s SER 21 CO 0.25 -0.79 0.46 0.00 0.98 0.00 0.00 173.24 174.14 3cfk s ALA 23 N 2.34 3.17 0.01 0.00 0.00 -0.70 -0.80 121.76 125.80 3cfk s ALA 23 Ca -0.04 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.18 3cfk s ALA 23 Cb -0.11 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 3cfk s ALA 23 CO -0.14 0.44 -0.23 0.00 0.00 0.00 0.00 175.76 175.83 3cfk s ALA 24 N -0.40 2.33 0.19 0.00 0.00 -0.02 -1.49 121.76 122.37 3cfk s ALA 24 Ca 0.07 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3cfk s ALA 24 Cb -0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 23.12 22.37 3cfk s ALA 24 CO 0.02 0.54 0.25 -1.54 0.00 0.00 0.00 175.76 175.04 3cfk s SER 25 N -1.00 0.08 0.00 0.00 1.04 -0.92 -4.80 113.70 108.09 3cfk s SER 25 Ca 0.12 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.48 3cfk s SER 25 Cb -0.10 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.45 3cfk s SER 25 CO 0.01 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.94 3cfk n GLY 26 N -0.25 0.74 3.54 7.32 0.00 -1.26 -1.66 105.19 113.64 3cfk n GLY 26 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.67 -0.25 -1.28 1.61 -0.71 -1.26 -4.56 117.98 108.86 3cfk s PHE 27 Ca 0.00 -0.08 -0.19 0.00 -1.04 0.00 0.00 56.93 55.62 3cfk s PHE 27 Cb 0.00 0.49 0.04 0.00 -1.21 0.00 0.00 43.02 42.34 3cfk s PHE 27 CO 0.00 -0.95 1.78 -3.47 -1.34 0.00 0.00 175.22 171.24 3cfk n ASP 28 N -0.37 4.63 -0.34 1.98 2.03 -1.26 -4.81 116.55 118.42 3cfk n ASP 28 Ca -0.11 -2.88 0.20 0.00 0.52 0.00 0.00 54.79 52.52 3cfk n ASP 28 Cb 0.63 -1.75 0.44 0.00 -0.72 0.00 0.00 41.12 39.72 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 7.88 0.86 -1.15 -0.67 3.57 -1.95 -0.84 116.94 124.64 3cfk h PHE 29 Ca 0.42 0.03 0.33 0.00 3.53 0.00 0.00 57.97 62.27 3cfk h PHE 29 Cb 0.88 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.31 3cfk h PHE 29 CO 1.40 0.05 0.80 0.00 -2.23 0.00 0.00 178.31 178.33 3cfk h ARG 30 N 0.49 0.10 0.00 1.11 3.08 -1.87 -2.72 114.38 114.57 3cfk h ARG 30 Ca 0.63 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.68 3cfk h ARG 30 Cb 1.38 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.41 3cfk h ARG 30 CO -0.41 0.06 -0.81 0.54 -1.07 0.00 0.00 179.97 178.28 3cfk n ARG 31 N -4.31 0.19 -4.11 0.04 1.74 -0.32 -4.64 116.66 105.25 3cfk n ARG 31 Ca 0.26 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 3cfk n ARG 31 Cb 1.16 -1.58 -0.07 0.00 -1.02 0.00 0.00 32.46 30.95 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 -3.12 3.24 0.45 -1.55 1.51 -1.03 -4.80 117.35 112.05 3cfk s TYR 32 Ca 0.06 0.17 -0.23 0.00 -1.01 0.00 0.00 57.07 56.06 3cfk s TYR 32 Cb 0.15 -1.71 -0.08 0.00 -0.11 0.00 0.00 41.96 40.22 3cfk s TYR 32 CO 0.77 0.53 1.11 -1.58 -1.11 0.00 0.00 175.55 175.27 3cfk s TRP 33 N -1.22 3.00 0.09 2.71 0.52 -1.25 -3.96 118.94 118.83 3cfk s TRP 33 Ca 0.24 1.57 0.07 0.00 0.02 0.00 0.00 56.10 58.00 3cfk s TRP 33 Cb -0.12 -3.26 -0.03 0.00 -1.15 0.00 0.00 33.47 28.91 3cfk s TRP 33 CO 0.15 -1.16 -0.17 -1.64 0.02 0.00 0.00 176.95 174.15 3cfk s MET 34 N -2.74 0.98 0.06 4.98 -1.94 -0.19 -2.09 119.30 118.36 3cfk s MET 34 Ca 0.63 -1.08 0.03 0.00 -1.71 0.00 0.00 55.69 53.55 3cfk s MET 34 Cb -0.25 -1.10 -0.03 0.00 2.01 0.00 0.00 34.83 35.47 3cfk s MET 34 CO 0.30 0.25 -0.09 0.99 -0.01 0.00 0.00 175.02 176.46 3cfk s THR 35 N -1.32 0.70 -0.06 2.05 2.01 0.29 -0.64 115.64 118.66 3cfk s THR 35 Ca 0.03 -1.33 0.03 0.00 0.31 0.00 0.00 61.69 60.73 3cfk s THR 35 Cb -0.09 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.44 3cfk s THR 35 CO 0.03 -0.47 -0.15 0.26 -0.69 0.00 0.00 174.62 173.60 3cfk s TRP 36 N -1.88 2.69 0.06 4.92 0.52 -0.55 -1.18 118.94 123.51 3cfk s TRP 36 Ca -0.03 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 55.83 3cfk s TRP 36 Cb -0.06 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.57 3cfk s TRP 36 CO -0.00 0.08 -0.10 0.08 0.02 0.00 0.00 176.95 177.03 3cfk s VAL 37 N -0.50 0.76 0.12 4.03 1.01 -0.29 -1.83 120.40 123.70 3cfk s VAL 37 Ca 0.06 -1.25 0.03 0.00 0.00 0.00 0.00 61.98 60.83 3cfk s VAL 37 Cb -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3cfk s VAL 37 CO 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 175.10 174.65 3cfk s ARG 38 N -1.87 0.93 -0.22 2.72 1.70 -0.45 0.82 118.95 122.59 3cfk s ARG 38 Ca -0.05 -1.36 -0.04 0.00 -0.47 0.00 0.00 55.73 53.81 3cfk s ARG 38 Cb -0.08 -0.42 0.09 0.00 -0.57 0.00 0.00 34.95 33.96 3cfk s ARG 38 CO 0.01 0.03 0.15 -1.14 -1.08 0.00 0.00 175.30 173.27 3cfk s GLN 39 N -3.65 0.15 0.81 3.89 0.74 -0.15 -0.81 119.66 120.64 3cfk s GLN 39 Ca 0.13 -0.14 -0.12 0.00 0.05 0.00 0.00 55.36 55.28 3cfk s GLN 39 Cb 0.03 -1.40 0.08 0.00 1.10 0.00 0.00 33.01 32.83 3cfk s GLN 39 CO -0.02 -0.80 1.14 0.00 -0.55 0.00 0.00 175.29 175.07 3cfk s ALA 40 N 2.19 1.92 0.14 1.58 0.00 -1.26 -1.71 121.76 124.63 3cfk s ALA 40 Ca 0.06 0.57 -0.32 0.00 0.00 0.00 0.00 51.96 52.26 3cfk s ALA 40 Cb -0.16 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 3cfk s ALA 40 CO -0.20 -2.17 1.77 -2.30 0.00 0.00 0.00 175.76 172.87 3cfk n PRO 41 N -3.54 2.68 -1.32 0.00 -0.02 -1.26 -1.81 135.00 129.73 3cfk n PRO 41 Ca 0.11 0.97 -0.11 0.00 -2.02 0.00 0.00 63.50 62.45 3cfk n PRO 41 Cb 0.52 -2.83 -0.05 0.00 -0.02 0.00 0.00 33.50 31.12 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 4.06 1.16 3.59 -1.23 0.00 -1.26 -4.99 105.19 106.52 3cfk n GLY 42 Ca 0.17 -0.25 -0.30 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 -1.99 0.64 -1.66 1.61 5.02 -0.75 -5.16 118.16 115.87 3cfk n LYS 43 Ca -0.11 -3.68 -0.19 0.00 -2.02 0.00 0.00 58.31 52.31 3cfk n LYS 43 Cb 0.44 1.52 0.12 0.00 -0.02 0.00 0.00 35.03 37.10 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 -1.06 -0.51 3.82 0.72 0.00 -1.26 -4.69 105.19 102.21 3cfk n GLY 44 Ca -0.13 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 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 4.18 -0.16 0.99 1.43 -1.26 -4.23 118.68 119.63 3cfk s LEU 45 Ca 0.52 1.52 -0.03 0.00 -1.03 0.00 0.00 54.13 55.11 3cfk s LEU 45 Cb -0.02 -4.01 0.05 0.00 0.03 0.00 0.00 46.19 42.24 3cfk s LEU 45 CO 0.36 -0.14 0.03 -0.70 0.23 0.00 0.00 176.35 176.13 3cfk s GLU 46 N -2.52 0.63 0.12 1.70 2.12 0.01 -4.99 118.70 115.77 3cfk s GLU 46 Ca 0.51 -0.28 -0.31 0.00 0.36 0.00 0.00 54.97 55.26 3cfk s GLU 46 Cb -0.14 -1.82 -0.09 0.00 0.26 0.00 0.00 34.13 32.35 3cfk s GLU 46 CO 0.19 -0.55 1.57 -0.46 -0.54 0.00 0.00 175.26 175.47 3cfk s TRP 47 N 1.90 2.85 -0.22 5.30 -0.00 -1.26 -1.34 118.94 126.17 3cfk s TRP 47 Ca 0.01 0.56 -0.16 0.00 -0.00 0.00 0.00 56.10 56.51 3cfk s TRP 47 Cb -0.16 -3.90 -0.10 0.00 -0.00 0.00 0.00 33.47 29.31 3cfk s TRP 47 CO -0.07 -3.42 -0.22 -0.89 -0.00 0.00 0.00 176.95 172.35 3cfk n ILE 48 N 4.27 1.50 -1.00 5.86 5.41 -0.76 -4.54 119.36 130.10 3cfk n ILE 48 Ca 0.14 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3cfk n ILE 48 Cb 0.40 -2.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 3cfk n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cfk n GLY 49 N 1.40 -1.23 3.20 7.39 0.00 -1.19 0.13 105.19 114.90 3cfk n GLY 49 Ca -0.31 -0.97 -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 -1.39 0.64 -0.01 1.61 -1.05 -0.30 -1.48 118.70 116.71 3cfk s GLU 50 Ca 0.00 -0.36 0.03 0.00 -0.15 0.00 0.00 54.97 54.49 3cfk s GLU 50 Cb 0.00 0.28 -0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3cfk s GLU 50 CO 0.00 -0.18 -0.09 -1.50 0.95 0.00 0.00 175.26 174.44 3cfk s ILE 51 N -1.70 0.76 0.75 1.83 2.07 0.18 -1.84 121.20 123.26 3cfk s ILE 51 Ca -0.11 -0.39 -0.09 0.00 -1.41 0.00 0.00 60.65 58.64 3cfk s ILE 51 Cb -0.05 -0.65 0.07 0.00 0.13 0.00 0.00 42.46 41.97 3cfk s ILE 51 CO 0.01 0.22 1.10 0.54 -1.91 0.00 0.00 174.94 174.90 3cfk s ASN 52 N -0.11 4.69 0.22 4.50 4.22 -0.91 -1.02 114.94 126.54 3cfk s ASN 52 Ca 0.02 0.63 -0.11 0.00 -2.14 0.00 0.00 52.86 51.26 3cfk s ASN 52 Cb -0.05 -1.21 0.31 0.00 1.28 0.00 0.00 41.25 41.57 3cfk s ASN 52 CO -0.00 -1.74 1.64 -0.65 -2.04 0.00 0.00 177.10 174.32 3cfk h PRO 52 N -0.82 0.07 -0.61 3.55 0.11 -1.82 -2.78 132.00 129.70 3cfk h PRO 52 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cfk h PRO 52 Cb 1.32 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3cfk h PRO 52 CO 0.63 0.05 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 3cfk n ASP 53 N -5.35 3.55 -1.44 -2.05 5.68 -1.26 -4.94 116.55 110.75 3cfk n ASP 53 Ca 0.09 -2.26 -0.15 0.00 -0.50 0.00 0.00 54.79 51.98 3cfk n ASP 53 Cb 0.37 -0.47 -0.03 0.00 -1.14 0.00 0.00 41.12 39.85 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 0.87 -4.57 -0.02 -1.12 7.64 -1.05 -4.87 113.62 110.49 3cfk n SER 54 Ca 0.19 0.14 0.04 0.00 1.01 0.00 0.00 58.87 60.25 3cfk n SER 54 Cb 0.65 -3.57 -0.11 0.00 -1.01 0.00 0.00 64.21 60.18 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 -2.47 0.75 -3.86 1.43 1.74 -1.26 -4.78 116.66 108.20 3cfk n ARG 55 Ca -0.16 -0.10 -0.36 0.00 -0.77 0.00 0.00 57.85 56.46 3cfk n ARG 55 Cb 0.57 -1.33 -0.13 0.00 -1.02 0.00 0.00 32.46 30.55 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 -2.81 3.30 -0.28 0.55 2.01 -1.26 -5.07 115.64 112.08 3cfk s THR 56 Ca -0.05 -1.16 0.01 0.00 0.31 0.00 0.00 61.69 60.80 3cfk s THR 56 Cb 0.08 -2.82 0.08 0.00 0.01 0.00 0.00 72.50 69.85 3cfk s THR 56 CO 0.56 -0.04 0.03 -0.63 -0.69 0.00 0.00 174.62 173.85 3cfk s ILE 57 N 1.34 1.40 -0.10 1.82 1.01 -1.26 -2.13 121.20 123.28 3cfk s ILE 57 Ca -0.02 -1.49 -0.05 0.00 0.00 0.00 0.00 60.65 59.08 3cfk s ILE 57 Cb -0.19 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 3cfk s ILE 57 CO -0.00 -0.42 0.12 0.20 0.00 0.00 0.00 174.94 174.84 3cfk s ASN 58 N 1.39 6.18 0.20 3.58 0.01 -0.77 -4.96 114.94 120.58 3cfk s ASN 58 Ca 0.04 0.39 0.09 0.00 -0.71 0.00 0.00 52.86 52.67 3cfk s ASN 58 Cb -0.18 -1.95 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 3cfk s ASN 58 CO -0.13 0.38 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.36 3cfk s TYR 59 N -1.05 1.89 0.59 2.20 2.02 -1.26 -1.15 117.35 120.59 3cfk s TYR 59 Ca 0.16 -0.47 -0.19 0.00 -0.37 0.00 0.00 57.07 56.19 3cfk s TYR 59 Cb -0.12 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.51 3cfk s TYR 59 CO 0.06 0.42 1.19 -0.12 -1.57 0.00 0.00 175.55 175.53 3cfk n MET 60 N -0.12 1.21 -1.68 -0.62 0.00 0.12 -4.94 117.12 111.09 3cfk n MET 60 Ca -0.10 0.46 -0.45 0.00 -0.00 0.00 0.00 57.70 57.62 3cfk n MET 60 Cb 0.59 -2.40 -0.04 0.00 0.00 0.00 0.00 33.22 31.37 3cfk n MET 60 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3cfk n PRO 61 N -1.26 2.44 -0.37 2.12 -0.02 -1.26 -4.93 135.00 131.72 3cfk n PRO 61 Ca 0.13 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3cfk n PRO 61 Cb 0.46 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 4.70 0.00 -4.98 2.55 3.41 -1.26 -5.18 113.62 112.87 3cfk n SER 62 Ca 0.18 -0.23 -0.20 0.00 -0.26 0.00 0.00 58.87 58.36 3cfk n SER 62 Cb 0.32 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 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 3.54 0.31 1.04 1.43 -1.26 -5.05 118.68 118.69 3cfk s LEU 63 Ca 0.00 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 3cfk s LEU 63 Cb 0.00 -2.88 -0.12 0.00 0.03 0.00 0.00 46.19 43.21 3cfk s LEU 63 CO 0.00 -0.86 1.35 0.29 0.23 0.00 0.00 176.35 177.36 3cfk n LYS 64 N -2.08 2.18 -1.86 1.70 5.02 -1.26 -2.52 118.16 119.34 3cfk n LYS 64 Ca 0.05 0.77 -0.12 0.00 -2.02 0.00 0.00 58.31 56.99 3cfk n LYS 64 Cb 0.59 -2.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.17 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 1.21 -3.46 -0.06 4.39 8.00 -1.26 -4.78 116.55 120.59 3cfk n ASP 65 Ca 0.06 0.25 -0.12 0.00 0.71 0.00 0.00 54.79 55.70 3cfk n ASP 65 Cb 0.35 -3.11 -0.06 0.00 -0.02 0.00 0.00 41.12 38.28 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 0.34 -6.26 -1.24 1.63 -1.84 -3.42 116.57 105.79 3cfk h LYS 66 Ca -0.26 -0.12 -0.68 0.00 -0.85 0.00 0.00 60.65 58.74 3cfk h LYS 66 Cb 0.98 -0.03 -0.31 0.00 -0.60 0.00 0.00 32.23 32.28 3cfk h LYS 66 CO 0.35 0.57 -0.88 -0.06 -3.45 0.00 0.00 179.45 175.98 3cfk s PHE 67 N -4.88 2.28 -0.16 1.91 0.08 -1.26 -2.95 117.98 112.99 3cfk s PHE 67 Ca -0.14 -0.53 0.01 0.00 0.12 0.00 0.00 56.93 56.38 3cfk s PHE 67 Cb 0.06 -1.48 0.03 0.00 -0.57 0.00 0.00 43.02 41.06 3cfk s PHE 67 CO 0.73 -0.11 -0.14 0.42 -0.10 0.00 0.00 175.22 176.03 3cfk s ILE 68 N -0.40 1.63 -0.15 0.64 1.01 -0.55 -4.97 121.20 118.41 3cfk s ILE 68 Ca 0.04 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 3cfk s ILE 68 Cb -0.11 -1.57 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 3cfk s ILE 68 CO 0.01 0.39 0.18 -0.63 0.00 0.00 0.00 174.94 174.89 3cfk s ILE 69 N 1.45 5.40 0.24 2.92 1.01 -1.26 -0.18 121.20 130.77 3cfk s ILE 69 Ca 0.03 0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.97 3cfk s ILE 69 Cb -0.14 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3cfk s ILE 69 CO -0.10 0.51 0.26 -0.94 0.00 0.00 0.00 174.94 174.67 3cfk s SER 70 N -0.25 0.36 0.05 3.58 1.04 -0.89 -5.02 113.70 112.58 3cfk s SER 70 Ca 0.13 -1.34 -0.09 0.00 0.48 0.00 0.00 55.95 55.13 3cfk s SER 70 Cb -0.12 0.48 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 3cfk s SER 70 CO 0.02 -0.98 0.18 0.00 0.98 0.00 0.00 173.24 173.44 3cfk s ARG 71 N -3.93 0.72 -0.35 4.02 1.70 -1.26 -0.04 118.95 119.81 3cfk s ARG 71 Ca 0.35 -0.75 0.00 0.00 -0.47 0.00 0.00 55.73 54.86 3cfk s ARG 71 Cb 0.04 0.30 0.11 0.00 -0.57 0.00 0.00 34.95 34.83 3cfk s ARG 71 CO 0.14 -0.21 0.14 0.34 -1.08 0.00 0.00 175.30 174.63 3cfk s ASP 72 N -2.34 3.93 0.53 -2.89 -1.08 -0.13 -4.99 116.67 109.70 3cfk s ASP 72 Ca -0.02 -1.97 0.24 0.00 -0.52 0.00 0.00 52.55 50.28 3cfk s ASP 72 Cb 0.01 -0.94 1.44 0.00 -1.46 0.00 0.00 42.92 41.97 3cfk s ASP 72 CO -0.06 -0.37 2.12 0.78 0.52 0.00 0.00 175.17 178.16 3cfk h ASN 73 N 7.64 0.00 0.69 -0.34 2.35 -1.92 -1.45 115.58 122.55 3cfk h ASN 73 Ca -0.09 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 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 0.47 0.08 -0.35 0.00 -1.65 0.00 0.00 177.43 175.98 3cfk h ALA 74 N 1.92 1.09 -0.58 -0.83 0.00 -1.95 -2.88 119.26 116.03 3cfk h ALA 74 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3cfk h ALA 74 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3cfk h ALA 74 CO 0.01 0.44 0.00 1.63 0.00 0.00 0.00 179.25 181.33 3cfk n LYS 75 N -3.65 3.09 -4.32 0.00 5.02 -0.59 -4.97 118.16 112.73 3cfk n LYS 75 Ca -0.01 -2.60 -0.33 0.00 -2.02 0.00 0.00 58.31 53.35 3cfk n LYS 75 Cb 0.46 -1.61 -0.08 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.07 0.01 -4.15 4.39 3.02 -0.95 -4.73 115.26 113.92 3cfk n ASN 76 Ca 0.22 -1.23 -0.20 0.00 -0.03 0.00 0.00 54.58 53.34 3cfk n ASN 76 Cb 0.67 -1.82 -0.13 0.00 -0.61 0.00 0.00 39.78 37.89 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 -4.09 1.70 0.07 6.41 0.01 -0.91 -0.84 113.70 116.05 3cfk s SER 77 Ca 0.21 -0.48 0.09 0.00 1.31 0.00 0.00 55.95 57.09 3cfk s SER 77 Cb -0.12 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.97 3cfk s SER 77 CO 0.99 0.02 -0.25 -0.22 0.41 0.00 0.00 173.24 174.19 3cfk s LEU 78 N -1.22 2.28 0.05 2.44 2.96 0.02 -0.96 118.68 124.24 3cfk s LEU 78 Ca 0.01 -0.61 0.04 0.00 -0.22 0.00 0.00 54.13 53.35 3cfk s LEU 78 Cb -0.08 -1.30 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3cfk s LEU 78 CO 0.01 0.23 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.85 3cfk s TYR 79 N -0.90 1.07 -0.15 5.38 2.02 0.94 -1.05 117.35 124.66 3cfk s TYR 79 Ca 0.13 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3cfk s TYR 79 Cb -0.10 -0.62 0.05 0.00 -0.40 0.00 0.00 41.96 40.88 3cfk s TYR 79 CO 0.04 0.02 0.02 -1.17 -1.57 0.00 0.00 175.55 172.88 3cfk s LEU 80 N -1.32 0.99 -0.22 -1.29 2.96 -0.26 -2.10 118.68 117.45 3cfk s LEU 80 Ca -0.02 -0.54 -0.13 0.00 -0.22 0.00 0.00 54.13 53.22 3cfk s LEU 80 Cb -0.08 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 3cfk s LEU 80 CO 0.01 -0.26 0.28 -1.58 -1.32 0.00 0.00 176.35 173.48 3cfk s GLN 81 N 1.88 4.12 -0.12 1.98 0.74 0.74 -0.61 119.66 128.39 3cfk s GLN 81 Ca 0.01 -0.04 -0.03 0.00 0.05 0.00 0.00 55.36 55.36 3cfk s GLN 81 Cb -0.15 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.39 3cfk s GLN 81 CO -0.07 0.01 -0.02 -0.51 -0.55 0.00 0.00 175.29 174.15 3cfk s LEU 82 N 1.18 3.37 0.30 3.68 1.43 0.92 -1.48 118.68 128.08 3cfk s LEU 82 Ca 0.13 -0.02 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 3cfk s LEU 82 Cb -0.14 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3cfk s LEU 82 CO 0.06 0.26 0.15 -0.94 0.23 0.00 0.00 176.35 176.12 3cfk s SER 82 N -0.19 1.45 -1.37 2.29 1.04 -1.15 -0.44 113.70 115.34 3cfk s SER 82 Ca 0.04 -1.54 -0.06 0.00 0.48 0.00 0.00 55.95 54.87 3cfk s SER 82 Cb -0.13 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.36 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 -0.56 -2.48 -2.27 4.02 1.74 -1.22 -4.85 116.66 111.05 3cfk n ARG 82 Ca 0.01 0.35 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 3cfk n ARG 82 Cb 0.65 -4.21 -0.03 0.00 -1.02 0.00 0.00 32.46 27.85 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 -6.97 4.41 0.33 0.55 1.43 -0.96 -4.69 118.68 112.77 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 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 3cfk s LEU 82 CO 0.90 -0.51 0.02 -0.13 0.23 0.00 0.00 176.35 176.86 3cfk s ARG 83 N 0.26 1.68 0.50 1.70 0.52 -1.26 0.41 118.95 122.76 3cfk s ARG 83 Ca 0.58 -1.92 0.16 0.00 -0.52 0.00 0.00 55.73 54.03 3cfk s ARG 83 Cb -0.35 -1.09 1.20 0.00 0.52 0.00 0.00 34.95 35.22 3cfk s ARG 83 CO 0.35 -0.10 2.09 0.66 0.02 0.00 0.00 175.30 178.32 3cfk h SER 84 N 2.09 0.00 0.07 0.23 4.64 -1.97 0.52 113.55 119.13 3cfk h SER 84 Ca -0.41 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3cfk h SER 84 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3cfk h SER 84 CO 0.71 0.07 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.40 3cfk h GLU 85 N 0.00 0.00 -0.00 4.77 5.08 -1.96 -1.04 114.58 121.43 3cfk h GLU 85 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cfk h GLU 85 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3cfk h GLU 85 CO 0.01 0.01 -0.05 -0.25 -1.00 0.00 0.00 179.01 177.72 3cfk n ASP 86 N -3.41 0.14 -4.67 1.42 8.00 0.17 -4.81 116.55 113.40 3cfk n ASP 86 Ca -0.03 -0.14 -0.42 0.00 0.71 0.00 0.00 54.79 54.91 3cfk n ASP 86 Cb 0.10 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 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 -2.65 6.63 -0.00 -2.24 0.01 -0.40 -4.89 113.70 110.16 3cfk s SER 87 Ca 0.25 2.37 -0.30 0.00 1.31 0.00 0.00 55.95 59.58 3cfk s SER 87 Cb 0.20 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 64.00 3cfk s SER 87 CO 0.49 -0.92 1.26 0.00 0.41 0.00 0.00 173.24 174.48 3cfk s ALA 88 N 3.59 -2.22 -0.05 1.44 0.00 -0.65 -4.45 121.76 119.42 3cfk s ALA 88 Ca 0.75 0.55 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 3cfk s ALA 88 Cb -0.36 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3cfk s ALA 88 CO 0.32 -1.07 0.70 -0.51 0.00 0.00 0.00 175.76 175.20 3cfk s LEU 89 N -3.10 4.34 -0.20 0.00 1.43 -0.69 -1.51 118.68 118.95 3cfk s LEU 89 Ca 0.16 1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 54.43 3cfk s LEU 89 Cb 0.04 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 3cfk s LEU 89 CO -0.03 -0.09 -0.01 -0.31 0.23 0.00 0.00 176.35 176.15 3cfk s TYR 90 N 0.65 3.03 -0.16 0.29 1.51 -0.75 -0.98 117.35 120.94 3cfk s TYR 90 Ca 0.37 -0.48 -0.04 0.00 -1.01 0.00 0.00 57.07 55.91 3cfk s TYR 90 Cb -0.18 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 3cfk s TYR 90 CO 0.19 -0.25 -0.03 0.71 -1.11 0.00 0.00 175.55 175.06 3cfk s TYR 91 N 0.98 3.03 -0.14 2.71 2.02 0.24 -1.89 117.35 124.30 3cfk s TYR 91 Ca 0.01 -0.32 -0.29 0.00 -0.37 0.00 0.00 57.07 56.10 3cfk s TYR 91 Cb -0.14 -1.98 -0.01 0.00 -0.40 0.00 0.00 41.96 39.43 3cfk s TYR 91 CO 0.02 -0.06 1.15 0.00 -1.57 0.00 0.00 175.55 175.08 3cfk s VAL 93 N 2.85 0.38 -0.01 0.00 1.01 -0.33 -0.23 120.40 124.08 3cfk s VAL 93 Ca 0.51 -0.05 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 3cfk s VAL 93 Cb -0.20 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.71 3cfk s VAL 93 CO 0.15 0.18 0.69 -0.60 0.00 0.00 0.00 175.10 175.52 3cfk s ARG 94 N 0.85 4.42 -0.26 2.72 3.52 0.09 -0.55 118.95 129.75 3cfk s ARG 94 Ca -0.10 0.90 -0.08 0.00 -0.13 0.00 0.00 55.73 56.33 3cfk s ARG 94 Cb -0.13 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3cfk s ARG 94 CO -0.01 0.23 0.09 -1.17 -0.81 0.00 0.00 175.30 173.64 3cfk s LEU 95 N 0.19 3.54 -0.31 -0.88 2.96 -0.89 -1.67 118.68 121.62 3cfk s LEU 95 Ca 0.36 -0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.89 3cfk s LEU 95 Cb -0.19 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 3cfk s LEU 95 CO 0.20 -0.05 0.43 -0.62 -1.32 0.00 0.00 176.35 174.99 3cfk s ASP 96 N 1.63 6.27 0.30 3.68 2.15 0.49 -3.85 116.67 127.34 3cfk s ASP 96 Ca 0.06 0.09 0.06 0.00 0.43 0.00 0.00 52.55 53.19 3cfk s ASP 96 Cb -0.15 -2.23 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 3cfk s ASP 96 CO 0.04 -0.32 0.41 0.12 -0.17 0.00 0.00 175.17 175.25 3cfk s PHE 97 N 2.18 3.19 0.00 -5.34 5.36 -1.26 -1.55 117.98 120.57 3cfk s PHE 97 Ca 0.16 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 55.97 3cfk s PHE 97 Cb -0.16 -1.82 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 3cfk s PHE 97 CO 0.11 0.17 0.00 -3.47 -1.46 0.00 0.00 175.22 170.57 3cfk n ASP 98 N -1.52 0.00 -0.08 6.13 -0.08 -1.26 -4.93 116.55 114.81 3cfk n ASP 98 Ca -0.03 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.25 3cfk n ASP 98 Cb 0.58 0.00 0.28 0.00 2.34 0.00 0.00 41.12 44.32 3cfk n ASP 98 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3cfk h VAL 99 N 0.00 1.19 -0.20 5.18 2.07 -1.98 -1.80 116.25 120.70 3cfk h VAL 99 Ca 0.00 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 3cfk h VAL 99 Cb 0.00 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3cfk h VAL 99 CO 0.00 0.23 0.04 1.88 0.02 0.00 0.00 177.57 179.75 3cfk h TYR 100 N 0.70 0.35 0.00 1.57 0.05 -2.06 -2.95 116.97 114.62 3cfk h TYR 100 Ca 0.17 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3cfk h TYR 100 Cb 0.16 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3cfk h TYR 100 CO 0.01 0.46 0.00 0.09 -1.05 0.00 0.00 178.16 177.67 3cfk n ASN 100 N -4.75 0.37 -2.51 3.88 3.02 -1.09 -5.25 115.26 108.93 3cfk n ASN 100 Ca -0.04 0.55 -0.03 0.00 -0.03 0.00 0.00 54.58 55.03 3cfk n ASN 100 Cb 0.18 -0.64 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 -1.87 -2.96 0.00 3.10 8.25 -0.70 -5.10 115.22 115.95 3cfk n HIS 100 Ca 0.05 1.25 0.00 0.00 -0.26 0.00 0.00 57.72 58.77 3cfk n HIS 100 Cb 0.33 -3.52 0.00 0.00 1.12 0.00 0.00 29.99 27.92 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 0.09 0.00 -4.98 4.41 4.02 -1.26 -5.06 117.16 114.39 3cfk n TYR 100 Ca 0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.67 3cfk n TYR 100 Cb 0.19 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.35 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 1.63 -0.85 -0.72 1.01 -0.59 -4.97 120.40 115.91 3cfk s VAL 100 Ca 0.00 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 3cfk s VAL 100 Cb 0.00 -1.36 0.11 0.00 0.00 0.00 0.00 36.38 35.12 3cfk s VAL 100 CO 0.00 0.44 1.10 -0.76 0.00 0.00 0.00 175.10 175.88 3cfk s LEU 100 N -0.55 4.72 -0.21 3.92 1.43 -1.26 -0.38 118.68 126.35 3cfk s LEU 100 Ca 0.08 -1.67 -0.09 0.00 -1.03 0.00 0.00 54.13 51.42 3cfk s LEU 100 Cb -0.08 -2.42 -0.20 0.00 0.03 0.00 0.00 46.19 43.52 3cfk s LEU 100 CO -0.01 -1.22 0.04 -0.90 0.23 0.00 0.00 176.35 174.50 3cfk n ASP 101 N 7.10 2.00 -4.40 2.29 5.75 -0.67 -4.89 116.55 123.73 3cfk n ASP 101 Ca 0.16 0.19 -0.33 0.00 -0.01 0.00 0.00 54.79 54.80 3cfk n ASP 101 Cb 0.48 -0.76 -0.14 0.00 -1.03 0.00 0.00 41.12 39.67 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 2.80 -0.04 2.11 2.02 -1.25 -4.99 117.35 115.50 3cfk s TYR 102 Ca -0.30 -0.53 0.07 0.00 -0.37 0.00 0.00 57.07 55.93 3cfk s TYR 102 Cb 0.09 -1.81 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 3cfk s TYR 102 CO 0.64 -0.13 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.66 3cfk s TRP 103 N 0.15 2.40 1.00 2.71 0.52 -1.26 -0.73 118.94 123.72 3cfk s TRP 103 Ca -0.07 -0.60 -0.13 0.00 0.02 0.00 0.00 56.10 55.32 3cfk s TRP 103 Cb -0.15 -1.56 0.19 0.00 -1.15 0.00 0.00 33.47 30.80 3cfk s TRP 103 CO 0.05 -0.14 1.11 0.20 0.02 0.00 0.00 176.95 178.18 3cfk s GLY 104 N -0.35 1.57 0.43 0.98 0.00 0.68 -4.87 107.32 105.75 3cfk s GLY 104 Ca 0.02 -0.46 0.24 0.00 0.00 0.00 0.00 44.72 44.51 3cfk s GLY 104 CO 0.02 0.16 1.72 1.46 0.00 0.00 0.00 173.10 176.46 3cfk h GLN 105 N -1.88 0.00 0.00 2.90 4.20 -1.90 -3.44 115.11 114.99 3cfk h GLN 105 Ca -0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.18 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 0.57 0.18 0.00 0.41 -0.67 0.00 0.00 178.83 179.32 3cfk n GLY 106 N 0.61 2.10 3.27 3.46 0.00 -1.26 -4.99 105.19 108.39 3cfk n GLY 106 Ca 0.02 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.26 1.98 0.06 2.61 -1.32 -0.79 -4.87 115.64 111.05 3cfk s THR 107 Ca 0.00 -1.05 -0.25 0.00 -1.21 0.00 0.00 61.69 59.18 3cfk s THR 107 Cb 0.00 -1.66 -0.06 0.00 -1.51 0.00 0.00 72.50 69.27 3cfk s THR 107 CO 0.00 0.56 0.76 -0.55 -2.21 0.00 0.00 174.62 173.18 3cfk s SER 108 N -0.37 7.24 -0.12 8.08 0.15 -1.26 -1.81 113.70 125.61 3cfk s SER 108 Ca 0.03 1.48 0.02 0.00 0.70 0.00 0.00 55.95 58.18 3cfk s SER 108 Cb -0.12 -2.47 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3cfk s SER 108 CO 0.01 0.05 -0.17 -0.69 1.20 0.00 0.00 173.24 173.64 3cfk s VAL 109 N -0.24 1.67 -0.11 4.45 1.01 -0.57 -0.13 120.40 126.48 3cfk s VAL 109 Ca 0.38 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3cfk s VAL 109 Cb -0.21 -1.50 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 3cfk s VAL 109 CO 0.23 0.47 -0.22 -0.89 0.00 0.00 0.00 175.10 174.70 3cfk s THR 110 N 0.92 2.23 -0.34 3.92 2.01 -0.56 -1.63 115.64 122.19 3cfk s THR 110 Ca -0.07 -0.95 -0.11 0.00 0.31 0.00 0.00 61.69 60.87 3cfk s THR 110 Cb -0.15 -1.87 0.00 0.00 0.01 0.00 0.00 72.50 70.49 3cfk s THR 110 CO -0.01 0.55 0.20 -0.69 -0.69 0.00 0.00 174.62 173.98 3cfk s VAL 111 N 0.44 4.82 -0.19 3.82 1.01 -1.26 -0.53 120.40 128.52 3cfk s VAL 111 Ca -0.15 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 3cfk s VAL 111 Cb -0.17 -3.53 0.12 0.00 0.00 0.00 0.00 36.38 32.79 3cfk s VAL 111 CO 0.06 -0.05 0.96 -0.55 0.00 0.00 0.00 175.10 175.52 3cfk s SER 112 N 1.63 -0.44 0.00 3.32 0.15 -0.20 -4.53 113.70 113.63 3cfk s SER 112 Ca 0.04 0.62 0.20 0.00 0.70 0.00 0.00 55.95 57.52 3cfk s SER 112 Cb -0.18 0.55 0.64 0.00 -1.71 0.00 0.00 66.02 65.33 3cfk s SER 112 CO 0.08 -0.31 1.49 -1.54 1.20 0.00 0.00 173.24 174.16 3cfk n SER 113 N 1.29 2.01 -4.78 5.45 3.41 -1.26 -4.20 113.62 115.54 3cfk n SER 113 Ca -0.12 -1.79 -0.34 0.00 -0.26 0.00 0.00 58.87 56.35 3cfk n SER 113 Cb 0.57 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.71 2.75 0.39 7.33 0.00 -1.26 -5.05 121.76 124.21 3cfk s ALA 114 Ca 0.32 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 53.00 3cfk s ALA 114 Cb 0.18 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 3cfk s ALA 114 CO 0.26 -0.63 0.61 -1.54 0.00 0.00 0.00 175.76 174.46 3cfk s SER 115 N -1.94 6.14 0.49 0.00 1.04 -1.26 -5.05 113.70 113.13 3cfk s SER 115 Ca 0.70 0.44 -0.22 0.00 0.48 0.00 0.00 55.95 57.35 3cfk s SER 115 Cb -0.21 -1.89 -0.06 0.00 0.10 0.00 0.00 66.02 63.96 3cfk s SER 115 CO 0.26 -0.45 1.24 -0.89 0.98 0.00 0.00 173.24 174.38 3cfk s THR 116 N -2.43 2.70 -0.09 2.02 2.01 -1.26 -4.81 115.64 113.78 3cfk s THR 116 Ca 0.43 0.53 -0.04 0.00 0.31 0.00 0.00 61.69 62.92 3cfk s THR 116 Cb -0.10 -3.27 0.05 0.00 0.01 0.00 0.00 72.50 69.19 3cfk s THR 116 CO 0.37 -0.01 0.18 -0.75 -0.69 0.00 0.00 174.62 173.72 3cfk s LYS 117 N -2.78 0.08 0.55 4.92 2.20 0.35 -4.94 119.74 120.13 3cfk s LYS 117 Ca 0.67 0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 56.63 3cfk s LYS 117 Cb -0.33 -0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 35.73 3cfk s LYS 117 CO 0.40 -0.25 1.05 0.20 -0.36 0.00 0.00 175.35 176.39 3cfk s GLY 118 N 1.90 2.27 0.41 5.54 0.00 -1.26 -1.16 107.32 115.02 3cfk s GLY 118 Ca -0.02 0.48 -0.17 0.00 0.00 0.00 0.00 44.72 45.01 3cfk s GLY 118 CO -0.06 0.80 0.86 2.56 0.00 0.00 0.00 173.10 177.25 3cfk s PRO 119 N -3.76 4.03 0.14 2.90 0.04 -1.26 -4.53 135.00 132.56 3cfk s PRO 119 Ca 0.65 0.84 -0.18 0.00 0.04 0.00 0.00 61.00 62.35 3cfk s PRO 119 Cb -0.16 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 3cfk s PRO 119 CO 0.31 -0.02 0.60 -1.12 0.04 0.00 0.00 177.00 176.81 3cfk s SER 120 N -2.53 6.98 -0.18 6.66 0.01 -0.22 -4.90 113.70 119.51 3cfk s SER 120 Ca 0.57 1.24 -0.00 0.00 1.31 0.00 0.00 55.95 59.06 3cfk s SER 120 Cb -0.10 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 63.79 3cfk s SER 120 CO 0.21 0.15 -0.15 -0.69 0.41 0.00 0.00 173.24 173.17 3cfk s VAL 121 N -1.34 2.53 -0.03 3.43 1.01 -1.26 -0.70 120.40 124.05 3cfk s VAL 121 Ca 0.36 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3cfk s VAL 121 Cb -0.17 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 3cfk s VAL 121 CO 0.20 0.50 -0.24 -0.36 0.00 0.00 0.00 175.10 175.20 3cfk s PHE 122 N 1.22 2.40 0.38 5.22 0.08 0.43 -4.95 117.98 122.76 3cfk s PHE 122 Ca 0.02 -0.41 -0.26 0.00 0.12 0.00 0.00 56.93 56.41 3cfk s PHE 122 Cb -0.14 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.70 3cfk s PHE 122 CO -0.07 -0.01 1.15 -1.25 -0.10 0.00 0.00 175.22 174.94 3cfk s PRO 123 N -0.61 4.17 -0.71 0.24 0.04 -1.26 0.10 135.00 136.97 3cfk s PRO 123 Ca 0.10 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 3cfk s PRO 123 Cb -0.10 -2.75 0.19 0.00 0.04 0.00 0.00 34.50 31.87 3cfk s PRO 123 CO -0.01 -0.21 0.57 -0.51 0.04 0.00 0.00 177.00 176.88 3cfk s LEU 124 N -2.33 5.80 0.30 -3.56 1.43 0.19 -4.77 118.68 115.74 3cfk s LEU 124 Ca 0.55 -2.84 -0.29 0.00 -1.03 0.00 0.00 54.13 50.52 3cfk s LEU 124 Cb -0.30 -1.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 3cfk s LEU 124 CO 0.38 -0.43 1.33 0.00 0.23 0.00 0.00 176.35 177.86 3cfk s ALA 125 N -0.05 3.53 0.57 4.21 0.00 -1.26 -1.38 121.76 127.38 3cfk s ALA 125 Ca 0.18 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.30 3cfk s ALA 125 Cb -0.16 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 3cfk s ALA 125 CO -0.06 -0.65 0.95 -1.25 0.00 0.00 0.00 175.76 174.75 3cfk s PRO 126 N -1.31 3.61 -0.03 0.00 0.04 -1.26 -4.82 135.00 131.24 3cfk s PRO 126 Ca 0.52 0.59 0.02 0.00 0.04 0.00 0.00 61.00 62.17 3cfk s PRO 126 Cb -0.40 -2.18 0.01 0.00 0.04 0.00 0.00 34.50 31.97 3cfk s PRO 126 CO 0.49 -0.43 -0.08 0.45 0.04 0.00 0.00 177.00 177.48 3cfk s SER 127 N -4.06 1.08 0.55 6.66 0.15 -1.26 -1.27 113.70 115.55 3cfk s SER 127 Ca 0.53 -0.16 0.30 0.00 0.70 0.00 0.00 55.95 57.32 3cfk s SER 127 Cb -0.11 -0.33 1.47 0.00 -1.71 0.00 0.00 66.02 65.34 3cfk s SER 127 CO 0.49 0.04 1.90 -1.28 1.20 0.00 0.00 173.24 175.59 3cfk h SER 128 N 6.53 0.00 0.51 5.45 0.87 -1.97 -1.40 113.55 123.54 3cfk h SER 128 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 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 0.49 0.00 -0.33 0.29 -0.53 0.00 0.00 176.83 176.75 3cfk n LYS 129 N -4.13 0.24 -2.82 2.24 5.02 -1.26 -4.40 118.16 113.04 3cfk n LYS 129 Ca 0.15 -0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 56.02 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 -1.28 5.12 -4.89 4.39 7.64 -0.53 -5.05 113.62 119.02 3cfk n SER 130 Ca 0.08 -3.70 -0.32 0.00 1.01 0.00 0.00 58.87 55.95 3cfk n SER 130 Cb 0.33 -0.68 -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 -4.56 5.27 -0.09 0.44 -4.23 -1.26 -4.62 115.64 106.59 3cfk s THR 133 Ca 0.47 -0.37 -0.07 0.00 -1.18 0.00 0.00 61.69 60.54 3cfk s THR 133 Cb 0.28 -3.53 0.03 0.00 1.34 0.00 0.00 72.50 70.61 3cfk s THR 133 CO -0.15 0.20 0.23 -0.55 -0.54 0.00 0.00 174.62 173.81 3cfk s SER 134 N -2.32 -0.24 -1.50 3.99 0.15 -0.46 -4.89 113.70 108.44 3cfk s SER 134 Ca 0.32 0.47 -0.11 0.00 0.70 0.00 0.00 55.95 57.33 3cfk s SER 134 Cb -0.13 0.44 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 3cfk s SER 134 CO 0.24 -0.10 0.89 0.61 1.20 0.00 0.00 173.24 176.08 3cfk n GLY 135 N 3.30 -0.44 2.52 9.45 0.00 -1.26 -1.39 105.19 117.38 3cfk n GLY 135 Ca -0.16 0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 1.10 3.26 -0.02 0.00 -1.26 -4.99 105.19 101.61 3cfk n GLY 136 Ca -0.04 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 3cfk n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfk s THR 137 N -2.16 1.39 -0.01 2.61 -4.23 -0.49 -2.33 115.64 110.42 3cfk s THR 137 Ca 0.00 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.65 3cfk s THR 137 Cb 0.00 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.11 3cfk s THR 137 CO 0.00 -0.51 -0.05 0.00 -0.54 0.00 0.00 174.62 173.52 3cfk s ALA 138 N -2.52 3.06 -0.03 3.99 0.00 0.10 -1.35 121.76 125.02 3cfk s ALA 138 Ca 0.13 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.16 3cfk s ALA 138 Cb -0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 3cfk s ALA 138 CO 0.03 0.61 -0.17 0.00 0.00 0.00 0.00 175.76 176.23 3cfk s ALA 139 N -0.98 2.56 0.12 0.00 0.00 -1.26 -0.82 121.76 121.38 3cfk s ALA 139 Ca 0.17 -1.04 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 3cfk s ALA 139 Cb -0.11 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 3cfk s ALA 139 CO 0.07 0.55 0.18 -0.48 0.00 0.00 0.00 175.76 176.08 3cfk s LEU 140 N -0.82 1.41 0.00 0.00 0.05 0.34 -3.99 118.68 115.66 3cfk s LEU 140 Ca 0.12 -0.87 -0.07 0.00 0.05 0.00 0.00 54.13 53.35 3cfk s LEU 140 Cb -0.10 0.88 0.02 0.00 -2.05 0.00 0.00 46.19 44.94 3cfk s LEU 140 CO 0.01 -0.78 0.33 0.61 -0.55 0.00 0.00 176.35 175.97 3cfk n GLY 141 N -0.11 0.84 2.99 -3.48 0.00 -0.48 0.59 105.19 105.55 3cfk n GLY 141 Ca -0.10 -0.95 -0.22 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 0.55 4.38 -0.48 0.00 2.96 0.12 -1.10 118.68 125.11 3cfk s LEU 143 Ca -0.10 -0.08 -0.14 0.00 -0.22 0.00 0.00 54.13 53.59 3cfk s LEU 143 Cb -0.13 -2.59 0.09 0.00 0.50 0.00 0.00 46.19 44.06 3cfk s LEU 143 CO 0.02 -0.51 0.40 -0.69 -1.32 0.00 0.00 176.35 174.25 3cfk s VAL 144 N 2.41 4.98 0.03 1.68 1.01 0.11 -0.43 120.40 130.18 3cfk s VAL 144 Ca 0.19 -1.30 0.09 0.00 0.00 0.00 0.00 61.98 60.96 3cfk s VAL 144 Cb -0.15 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 3cfk s VAL 144 CO 0.14 -0.66 -0.26 -0.75 0.00 0.00 0.00 175.10 173.57 3cfk s LYS 145 N 1.57 1.86 -0.76 2.72 2.20 0.12 -0.95 119.74 126.49 3cfk s LYS 145 Ca 0.04 -1.04 -0.04 0.00 -0.36 0.00 0.00 55.97 54.57 3cfk s LYS 145 Cb -0.26 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.06 3cfk s LYS 145 CO 0.04 0.52 0.66 -0.25 -0.36 0.00 0.00 175.35 175.96 3cfk n ASP 146 N 1.99 -4.82 -4.45 1.43 8.00 -0.30 -1.06 116.55 117.33 3cfk n ASP 146 Ca -0.17 -0.50 -0.23 0.00 0.71 0.00 0.00 54.79 54.61 3cfk n ASP 146 Cb 0.52 -3.85 -0.10 0.00 -0.02 0.00 0.00 41.12 37.66 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 -3.27 2.18 -0.28 1.24 1.13 -0.60 -4.27 117.35 113.48 3cfk s TYR 147 Ca 0.28 -0.38 -0.22 0.00 -1.41 0.00 0.00 57.07 55.34 3cfk s TYR 147 Cb -0.04 -0.97 0.09 0.00 -1.10 0.00 0.00 41.96 39.94 3cfk s TYR 147 CO 0.53 0.65 0.78 0.12 -2.51 0.00 0.00 175.55 175.11 3cfk s PHE 148 N -2.60 -0.80 0.36 -3.49 5.36 -0.31 -0.27 117.98 116.24 3cfk s PHE 148 Ca 0.29 1.81 -0.02 0.00 -0.96 0.00 0.00 56.93 58.05 3cfk s PHE 148 Cb -0.04 0.39 0.08 0.00 -0.34 0.00 0.00 43.02 43.10 3cfk s PHE 148 CO 0.14 -0.39 0.50 -0.35 -1.46 0.00 0.00 175.22 173.66 3cfk n PRO 149 N 3.11 0.11 -1.00 10.12 -0.04 -1.26 -0.50 135.00 145.54 3cfk n PRO 149 Ca -0.16 -1.22 -0.32 0.00 -0.04 0.00 0.00 63.50 61.77 3cfk n PRO 149 Cb 0.56 -0.37 0.13 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 -3.79 1.60 0.50 0.54 0.41 -1.26 -4.76 118.70 111.93 3cfk s GLU 150 Ca 0.32 1.47 0.09 0.00 -0.41 0.00 0.00 54.97 56.44 3cfk s GLU 150 Cb -0.02 -1.80 0.04 0.00 -1.78 0.00 0.00 34.13 30.58 3cfk s GLU 150 CO 0.21 -2.19 0.65 -1.25 -0.49 0.00 0.00 175.26 172.20 3cfk s PRO 151 N -4.59 2.54 0.03 0.39 0.04 -1.26 -4.94 135.00 127.22 3cfk s PRO 151 Ca 0.66 -1.48 0.08 0.00 0.04 0.00 0.00 61.00 60.31 3cfk s PRO 151 Cb -0.22 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.64 3cfk s PRO 151 CO 0.55 -0.55 -0.24 0.14 0.04 0.00 0.00 177.00 176.93 3cfk s VAL 152 N -2.52 2.27 -0.12 -0.36 -7.23 -1.26 -4.54 120.40 106.64 3cfk s VAL 152 Ca 0.57 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 59.40 3cfk s VAL 152 Cb -0.07 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3cfk s VAL 152 CO 0.35 0.41 0.10 0.42 -0.31 0.00 0.00 175.10 176.06 3cfk s THR 153 N -0.79 5.15 -0.04 5.32 -4.23 -0.78 -4.99 115.64 115.29 3cfk s THR 153 Ca 0.12 0.08 0.03 0.00 -1.18 0.00 0.00 61.69 60.74 3cfk s THR 153 Cb -0.10 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.50 3cfk s THR 153 CO 0.02 0.60 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.87 3cfk s VAL 154 N -0.82 1.12 0.23 2.29 1.01 -1.26 -1.77 120.40 121.20 3cfk s VAL 154 Ca 0.13 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 3cfk s VAL 154 Cb -0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3cfk s VAL 154 CO 0.03 0.34 0.21 -0.94 0.00 0.00 0.00 175.10 174.73 3cfk s SER 156 N 0.21 0.33 -0.12 3.32 1.04 -0.38 -4.98 113.70 113.14 3cfk s SER 156 Ca -0.05 -1.38 0.03 0.00 0.48 0.00 0.00 55.95 55.02 3cfk s SER 156 Cb -0.11 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3cfk s SER 156 CO 0.02 -0.92 -0.21 0.26 0.98 0.00 0.00 173.24 173.37 3cfk s TRP 157 N -4.01 2.45 -1.24 5.02 0.52 -1.26 0.16 118.94 120.57 3cfk s TRP 157 Ca 0.37 -1.16 -0.03 0.00 0.02 0.00 0.00 56.10 55.29 3cfk s TRP 157 Cb 0.05 -1.68 -0.01 0.00 -1.15 0.00 0.00 33.47 30.68 3cfk s TRP 157 CO 0.14 -0.53 0.77 0.09 0.02 0.00 0.00 176.95 177.44 3cfk n ASN 162 N 3.98 -2.39 -2.97 2.95 3.02 0.78 -1.95 115.26 118.67 3cfk n ASN 162 Ca -0.20 -0.81 -0.19 0.00 -0.03 0.00 0.00 54.58 53.35 3cfk n ASN 162 Cb 0.52 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 3cfk n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3cfk n SER 163 N -3.04 -4.32 0.00 6.41 7.64 -1.26 -1.43 113.62 117.61 3cfk n SER 163 Ca -0.25 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.46 3cfk n SER 163 Cb 0.66 -3.58 0.00 0.00 -1.01 0.00 0.00 64.21 60.28 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 -1.12 1.33 0.23 0.23 0.00 -0.82 -4.90 105.19 100.15 3cfk n GLY 164 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 1.22 -3.07 4.61 0.00 -1.19 -3.41 119.26 117.42 3cfk h ALA 165 Ca 0.00 -0.19 -0.69 0.00 0.00 0.00 0.00 54.91 54.03 3cfk h ALA 165 Cb 0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 17.48 3cfk h ALA 165 CO 0.00 0.26 -0.59 -1.17 0.00 0.00 0.00 179.25 177.74 3cfk s LEU 166 N -7.31 4.30 0.00 0.00 2.96 -0.86 -4.92 118.68 112.85 3cfk s LEU 166 Ca -0.02 -1.04 0.00 0.00 -0.22 0.00 0.00 54.13 52.85 3cfk s LEU 166 Cb 0.13 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.92 3cfk s LEU 166 CO 0.63 -0.31 0.00 0.35 -1.32 0.00 0.00 176.35 175.70 3cfk n THR 167 N 4.85 0.00 -1.67 3.68 -2.24 -1.26 -4.32 114.28 113.32 3cfk n THR 167 Ca -0.13 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.20 3cfk n THR 167 Cb 0.45 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 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 -2.32 2.83 0.00 3.42 7.64 -1.26 -2.19 113.62 121.75 3cfk n SER 168 Ca 0.00 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.00 3cfk n SER 168 Cb 0.41 -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 2.54 1.00 3.74 0.23 0.00 -1.26 -4.80 105.19 106.64 3cfk n GLY 169 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3cfk n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfk s VAL 171 N -4.00 4.90 -0.14 1.61 1.01 -0.93 -2.04 120.40 120.82 3cfk s VAL 171 Ca 0.00 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.46 3cfk s VAL 171 Cb 0.00 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.37 3cfk s VAL 171 CO 0.00 0.32 -0.03 -1.00 0.00 0.00 0.00 175.10 174.39 3cfk s HIS 172 N 0.30 1.34 -0.27 5.22 3.76 -0.29 -5.01 115.29 120.34 3cfk s HIS 172 Ca 0.37 -0.79 -0.10 0.00 -0.15 0.00 0.00 55.06 54.39 3cfk s HIS 172 Cb -0.19 -1.15 -0.05 0.00 1.11 0.00 0.00 32.58 32.31 3cfk s HIS 172 CO 0.20 -0.54 0.16 0.99 -0.85 0.00 0.00 174.74 174.70 3cfk s THR 173 N 1.75 5.12 0.30 1.30 2.01 -1.26 -0.96 115.64 123.90 3cfk s THR 173 Ca 0.02 0.10 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 3cfk s THR 173 Cb -0.14 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 68.86 3cfk s THR 173 CO -0.07 0.29 0.74 -0.36 -0.69 0.00 0.00 174.62 174.52 3cfk s PHE 174 N 1.58 3.43 0.28 4.92 0.08 -0.65 -5.01 117.98 122.61 3cfk s PHE 174 Ca 0.07 1.27 -0.29 0.00 0.12 0.00 0.00 56.93 58.10 3cfk s PHE 174 Cb -0.15 -2.56 -0.14 0.00 -0.57 0.00 0.00 43.02 39.60 3cfk s PHE 174 CO 0.08 0.14 1.12 -2.30 -0.10 0.00 0.00 175.22 174.16 3cfk n PRO 175 N -0.14 1.55 -1.95 0.24 -0.02 -1.26 -4.55 135.00 128.86 3cfk n PRO 175 Ca 0.02 0.54 -0.36 0.00 -2.02 0.00 0.00 63.50 61.68 3cfk n PRO 175 Cb 0.53 -2.00 0.04 0.00 -0.02 0.00 0.00 33.50 32.05 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 -0.86 2.55 0.00 3.55 0.00 -1.26 -4.79 121.76 120.95 3cfk s ALA 176 Ca 0.61 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.70 3cfk s ALA 176 Cb -0.69 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 3cfk s ALA 176 CO 0.58 -1.24 -0.16 0.08 0.00 0.00 0.00 175.76 175.03 3cfk s VAL 177 N -1.52 2.96 -0.31 0.00 1.01 0.37 -4.95 120.40 117.95 3cfk s VAL 177 Ca 0.77 -0.96 -0.17 0.00 0.00 0.00 0.00 61.98 61.62 3cfk s VAL 177 Cb -0.33 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3cfk s VAL 177 CO 0.36 0.45 0.44 -0.22 0.00 0.00 0.00 175.10 176.12 3cfk s LEU 178 N -1.14 4.23 0.66 3.92 2.96 -1.26 -1.39 118.68 126.66 3cfk s LEU 178 Ca 0.14 0.10 -0.10 0.00 -0.22 0.00 0.00 54.13 54.05 3cfk s LEU 178 Cb -0.11 -2.50 0.00 0.00 0.50 0.00 0.00 46.19 44.09 3cfk s LEU 178 CO 0.04 -0.34 1.03 -1.10 -1.32 0.00 0.00 176.35 174.65 3cfk s GLN 179 N 2.21 3.01 0.54 1.98 -0.21 0.07 -4.94 119.66 122.31 3cfk s GLN 179 Ca 0.17 0.38 0.35 0.00 0.02 0.00 0.00 55.36 56.28 3cfk s GLN 179 Cb -0.16 -2.11 1.69 0.00 1.00 0.00 0.00 33.01 33.44 3cfk s GLN 179 CO 0.11 -0.85 2.06 0.66 -2.12 0.00 0.00 175.29 175.15 3cfk h SER 180 N -0.45 0.00 0.67 5.90 4.64 -1.98 -0.26 113.55 122.07 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 0.77 -0.87 0.00 0.00 176.83 177.36 3cfk h SER 182 N 0.00 0.00 0.00 4.97 4.64 -2.03 -3.46 113.55 117.67 3cfk h SER 182 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cfk h SER 182 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3cfk h SER 182 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3cfk n GLY 183 N -0.18 0.72 3.85 -0.77 0.00 -0.11 -5.07 105.19 103.63 3cfk n GLY 183 Ca 0.01 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 4.03 0.40 0.99 1.43 -1.26 -4.85 118.68 119.42 3cfk s LEU 184 Ca 0.00 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.10 3cfk s LEU 184 Cb 0.00 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 3cfk s LEU 184 CO 0.00 0.10 0.67 -0.31 0.23 0.00 0.00 176.35 177.04 3cfk s TYR 185 N -1.64 3.52 -0.12 0.29 2.02 0.63 -0.75 117.35 121.29 3cfk s TYR 185 Ca 0.32 0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 57.53 3cfk s TYR 185 Cb -0.11 -2.15 0.04 0.00 -0.40 0.00 0.00 41.96 39.33 3cfk s TYR 185 CO 0.25 -0.06 0.42 0.45 -1.57 0.00 0.00 175.55 175.04 3cfk s SER 186 N -3.82 -0.40 0.06 2.29 0.15 -0.48 -1.15 113.70 110.34 3cfk s SER 186 Ca 0.45 0.69 -0.12 0.00 0.70 0.00 0.00 55.95 57.67 3cfk s SER 186 Cb -0.10 0.74 0.01 0.00 -1.71 0.00 0.00 66.02 64.96 3cfk s SER 186 CO 0.38 -0.24 0.27 -1.48 1.20 0.00 0.00 173.24 173.37 3cfk s LEU 187 N -0.18 1.04 0.11 3.45 0.05 -0.12 -0.48 118.68 122.55 3cfk s LEU 187 Ca -0.03 -0.33 0.08 0.00 0.05 0.00 0.00 54.13 53.90 3cfk s LEU 187 Cb -0.03 1.26 -0.04 0.00 -2.05 0.00 0.00 46.19 45.33 3cfk s LEU 187 CO 0.02 -0.65 -0.21 -0.94 -0.55 0.00 0.00 176.35 174.02 3cfk s SER 188 N -2.30 2.63 -0.06 1.48 1.04 -1.26 0.05 113.70 115.27 3cfk s SER 188 Ca -0.02 -0.71 0.02 0.00 0.48 0.00 0.00 55.95 55.72 3cfk s SER 188 Cb 0.01 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.99 3cfk s SER 188 CO -0.06 0.06 -0.12 -0.55 0.98 0.00 0.00 173.24 173.55 3cfk s SER 189 N -2.02 1.78 0.15 7.02 0.15 -0.26 -1.64 113.70 118.87 3cfk s SER 189 Ca 0.08 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.51 3cfk s SER 189 Cb -0.09 -0.80 -0.04 0.00 -1.71 0.00 0.00 66.02 63.37 3cfk s SER 189 CO 0.05 0.04 -0.18 0.68 1.20 0.00 0.00 173.24 175.03 3cfk s VAL 190 N 0.62 1.72 -0.05 4.45 -7.23 -0.13 -0.49 120.40 119.28 3cfk s VAL 190 Ca -0.14 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.23 3cfk s VAL 190 Cb -0.15 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.03 3cfk s VAL 190 CO 0.04 -0.31 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.67 3cfk s VAL 191 N -1.97 1.35 -0.03 1.32 1.01 0.20 -1.14 120.40 121.14 3cfk s VAL 191 Ca 0.13 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3cfk s VAL 191 Cb -0.06 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 3cfk s VAL 191 CO 0.06 0.39 -0.06 0.42 0.00 0.00 0.00 175.10 175.91 3cfk s THR 192 N 0.19 3.74 0.04 3.92 -4.23 -0.86 -0.51 115.64 117.94 3cfk s THR 192 Ca -0.07 -0.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 3cfk s THR 192 Cb -0.12 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 3cfk s THR 192 CO 0.03 0.48 -0.06 0.68 -0.54 0.00 0.00 174.62 175.21 3cfk s VAL 193 N -0.93 0.40 0.23 2.29 -7.23 -0.00 -4.56 120.40 110.60 3cfk s VAL 193 Ca 0.15 -1.14 -0.32 0.00 -1.81 0.00 0.00 61.98 58.87 3cfk s VAL 193 Cb -0.11 -0.64 -0.13 0.00 0.56 0.00 0.00 36.38 36.06 3cfk s VAL 193 CO 0.05 -0.49 1.49 -2.65 -0.31 0.00 0.00 175.10 173.19 3cfk n PRO 194 N 1.30 2.21 -0.23 4.82 -0.02 -1.26 0.01 135.00 141.84 3cfk n PRO 194 Ca -0.22 0.79 -0.02 0.00 -2.02 0.00 0.00 63.50 62.03 3cfk n PRO 194 Cb 0.56 -2.50 0.04 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 4.82 -0.92 0.29 2.55 0.02 -1.74 -0.44 113.55 118.13 3cfk h SER 195 Ca -0.45 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3cfk h SER 195 Cb 1.26 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.31 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 -5.46 0.10 -0.81 3.07 7.64 -1.26 -1.94 113.62 114.95 3cfk n SER 196 Ca 0.07 0.53 0.11 0.00 1.01 0.00 0.00 58.87 60.59 3cfk n SER 196 Cb 0.36 -0.55 0.29 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.62 2.43 0.25 6.43 3.41 -0.17 -4.69 113.62 119.67 3cfk n SER 197 Ca 0.02 -1.85 -0.16 0.00 -0.26 0.00 0.00 58.87 56.62 3cfk n SER 197 Cb 0.10 -0.17 -0.08 0.00 -0.26 0.00 0.00 64.21 63.80 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 3.17 -0.79 0.00 1.04 5.85 -1.49 -1.65 115.31 121.44 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 0.70 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3cfk h LEU 198 CO 0.00 -0.46 0.00 0.61 -0.34 0.00 0.00 178.44 178.25 3cfk n GLY 199 N -1.43 -0.65 0.19 3.75 0.00 -1.26 -3.90 105.19 101.89 3cfk n GLY 199 Ca -0.11 -0.08 0.06 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 0.85 -3.55 2.61 2.02 -1.61 -3.46 112.91 109.77 3cfk h THR 200 Ca 0.00 -1.50 -0.05 0.00 0.77 0.00 0.00 66.41 65.63 3cfk h THR 200 Cb 0.08 1.93 -0.11 0.00 -1.74 0.00 0.00 68.15 68.31 3cfk h THR 200 CO 0.00 0.36 -0.11 0.00 0.37 0.00 0.00 175.52 176.14 3cfk s GLN 203 N -3.60 1.34 0.16 6.66 -2.07 -1.25 -5.15 119.66 115.75 3cfk s GLN 203 Ca 0.00 -1.04 -0.20 0.00 -1.82 0.00 0.00 55.36 52.31 3cfk s GLN 203 Cb 0.11 0.47 -0.08 0.00 -1.09 0.00 0.00 33.01 32.42 3cfk s GLN 203 CO 0.68 -0.55 0.66 0.99 -1.32 0.00 0.00 175.29 175.76 3cfk s THR 205 N -3.93 4.63 -0.18 3.63 2.01 -1.26 -5.04 115.64 115.50 3cfk s THR 205 Ca 0.14 1.26 0.01 0.00 0.31 0.00 0.00 61.69 63.41 3cfk s THR 205 Cb 0.00 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.64 3cfk s THR 205 CO 0.00 0.37 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.82 3cfk s TYR 206 N -1.33 2.58 -0.12 4.92 2.02 -1.26 -4.96 117.35 119.19 3cfk s TYR 206 Ca 0.37 -1.56 0.01 0.00 -0.37 0.00 0.00 57.07 55.53 3cfk s TYR 206 Cb -0.18 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 3cfk s TYR 206 CO 0.21 -0.76 -0.15 0.42 -1.57 0.00 0.00 175.55 173.70 3cfk s ILE 207 N 1.35 1.50 -0.08 2.71 1.01 -1.26 -1.07 121.20 125.36 3cfk s ILE 207 Ca 0.03 -0.63 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 3cfk s ILE 207 Cb -0.14 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 3cfk s ILE 207 CO -0.11 0.44 0.44 0.00 0.00 0.00 0.00 174.94 175.71 3cfk s ASN 209 N 0.04 5.02 -0.17 0.00 -0.87 0.12 -1.44 114.94 117.64 3cfk s ASN 209 Ca 0.24 -0.25 0.01 0.00 -1.57 0.00 0.00 52.86 51.29 3cfk s ASN 209 Cb -0.15 -1.90 0.02 0.00 -0.02 0.00 0.00 41.25 39.20 3cfk s ASN 209 CO 0.11 -0.04 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.73 3cfk s VAL 210 N 1.59 1.88 -0.05 1.60 1.01 0.40 -1.24 120.40 125.59 3cfk s VAL 210 Ca 0.06 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3cfk s VAL 210 Cb -0.15 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3cfk s VAL 210 CO 0.03 0.49 -0.22 0.21 0.00 0.00 0.00 175.10 175.60 3cfk s ASN 211 N 1.36 3.34 -0.37 3.32 2.47 -0.73 -0.73 114.94 123.60 3cfk s ASN 211 Ca 0.04 -0.42 0.00 0.00 0.42 0.00 0.00 52.86 52.91 3cfk s ASN 211 Cb -0.13 -0.77 0.12 0.00 -1.45 0.00 0.00 41.25 39.02 3cfk s ASN 211 CO -0.12 0.28 0.18 -2.28 -3.72 0.00 0.00 177.10 171.44 3cfk s HIS 212 N -0.36 1.48 0.18 0.43 5.65 0.25 -1.86 115.29 121.06 3cfk s HIS 212 Ca 0.03 -1.92 -0.13 0.00 0.25 0.00 0.00 55.06 53.28 3cfk s HIS 212 Cb -0.12 -1.54 0.15 0.00 -1.18 0.00 0.00 32.58 29.90 3cfk s HIS 212 CO 0.02 -0.83 1.75 0.87 -0.65 0.00 0.00 174.74 175.91 3cfk h LYS 213 N 7.32 0.36 -0.43 2.88 1.57 -1.82 -1.90 116.57 124.54 3cfk h LYS 213 Ca -0.04 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.84 3cfk h LYS 213 Cb 0.97 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3cfk h LYS 213 CO 0.42 0.24 0.32 -1.35 -0.57 0.00 0.00 179.45 178.51 3cfk h PRO 214 N 0.37 0.00 -0.36 3.15 0.11 -1.92 -0.72 132.00 132.63 3cfk h PRO 214 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3cfk h PRO 214 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 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 -4.30 2.97 -3.80 -2.05 3.41 -1.03 -4.97 113.62 103.85 3cfk n SER 215 Ca 0.07 -1.98 -0.30 0.00 -0.26 0.00 0.00 58.87 56.40 3cfk n SER 215 Cb 0.52 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.59 -4.07 -4.60 4.04 3.02 -0.28 -4.89 115.26 109.08 3cfk n ASN 216 Ca 0.12 -0.70 -0.39 0.00 -0.03 0.00 0.00 54.58 53.58 3cfk n ASN 216 Cb 0.44 -3.31 -0.09 0.00 -0.61 0.00 0.00 39.78 36.21 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 -3.16 5.17 -0.11 3.41 2.01 -0.87 -4.97 115.64 117.10 3cfk s THR 217 Ca 0.59 0.54 0.03 0.00 0.31 0.00 0.00 61.69 63.16 3cfk s THR 217 Cb -0.31 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.49 3cfk s THR 217 CO 0.73 0.13 -0.22 -0.54 -0.69 0.00 0.00 174.62 174.03 3cfk s LYS 218 N 2.08 2.94 -0.02 4.92 1.02 -1.26 -0.58 119.74 128.83 3cfk s LYS 218 Ca 0.15 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.31 3cfk s LYS 218 Cb -0.16 -2.29 0.02 0.00 -0.52 0.00 0.00 37.83 34.89 3cfk s LYS 218 CO 0.10 0.09 0.00 0.08 -0.92 0.00 0.00 175.35 174.70 3cfk s VAL 219 N 0.56 0.14 -0.28 3.17 1.01 0.09 -5.01 120.40 120.09 3cfk s VAL 219 Ca -0.14 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 3cfk s VAL 219 Cb -0.17 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.02 3cfk s VAL 219 CO 0.04 0.12 -0.00 -1.81 0.00 0.00 0.00 175.10 173.45 3cfk s ASP 220 N 0.83 4.69 -0.24 3.32 1.01 -1.26 -0.46 116.67 124.57 3cfk s ASP 220 Ca -0.08 -0.92 -0.03 0.00 0.71 0.00 0.00 52.55 52.24 3cfk s ASP 220 Cb -0.11 -1.74 0.01 0.00 1.01 0.00 0.00 42.92 42.09 3cfk s ASP 220 CO -0.02 -0.18 -0.06 -0.75 0.21 0.00 0.00 175.17 174.38 3cfk s LYS 221 N 1.36 3.07 0.06 8.23 2.47 -0.52 -4.97 119.74 129.45 3cfk s LYS 221 Ca -0.00 -0.82 -0.30 0.00 -1.56 0.00 0.00 55.97 53.28 3cfk s LYS 221 Cb -0.18 -2.99 -0.05 0.00 -1.46 0.00 0.00 37.83 33.16 3cfk s LYS 221 CO -0.02 -0.31 1.08 0.21 0.16 0.00 0.00 175.35 176.48 3cfk s LYS 222 N 1.39 4.53 -0.46 4.03 2.20 -1.26 -1.87 119.74 128.30 3cfk s LYS 222 Ca 0.03 1.61 -0.08 0.00 -0.36 0.00 0.00 55.97 57.17 3cfk s LYS 222 Cb -0.15 -3.38 0.12 0.00 -1.51 0.00 0.00 37.83 32.91 3cfk s LYS 222 CO -0.04 -0.08 0.32 0.08 -0.36 0.00 0.00 175.35 175.27 3cfk s VAL 223 N 0.72 4.10 -0.06 4.02 1.01 -0.23 -4.95 120.40 125.01 3cfk s VAL 223 Ca 0.54 -1.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.49 3cfk s VAL 223 Cb -0.26 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3cfk s VAL 223 CO 0.30 -0.75 0.67 -1.61 0.00 0.00 0.00 175.10 173.71 3cfk s GLU 226 N 1.34 4.42 -0.05 2.72 2.02 -1.26 -4.51 118.70 123.38 3cfk s GLU 226 Ca 0.06 0.84 -0.40 0.00 0.02 0.00 0.00 54.97 55.49 3cfk s GLU 226 Cb -0.26 -3.43 -0.19 0.00 0.10 0.00 0.00 34.13 30.35 3cfk s GLU 226 CO -0.01 0.12 1.21 -2.30 0.02 0.00 0.00 175.26 174.30 3cfk n PRO 227 N 3.59 0.28 0.00 0.39 -0.02 -1.26 -4.38 135.00 133.59 3cfk n PRO 227 Ca -0.02 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3cfk n PRO 227 Cb 0.51 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 3cfk n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11