#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 3.53 -0.03 2.62 1.01 -1.26 -4.10 120.40 122.16 3cfk s VAL 2 Ca 0.00 1.19 0.05 0.00 0.00 0.00 0.00 61.98 63.21 3cfk s VAL 2 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 3cfk s VAL 2 CO 0.00 0.14 -0.16 -0.54 0.00 0.00 0.00 175.10 174.54 3cfk s LYS 3 N 0.38 1.52 -0.41 2.72 1.02 -0.64 -4.99 119.74 119.33 3cfk s LYS 3 Ca 0.58 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 56.00 3cfk s LYS 3 Cb -0.34 -1.39 0.14 0.00 -0.52 0.00 0.00 37.83 35.72 3cfk s LYS 3 CO 0.34 0.29 0.24 -0.51 -0.92 0.00 0.00 175.35 174.79 3cfk s LEU 4 N -0.16 2.02 -0.43 3.17 1.43 -1.26 -2.12 118.68 121.33 3cfk s LEU 4 Ca 0.01 -2.53 -0.22 0.00 -1.03 0.00 0.00 54.13 50.37 3cfk s LEU 4 Cb -0.09 -0.77 0.02 0.00 0.03 0.00 0.00 46.19 45.38 3cfk s LEU 4 CO 0.01 -0.27 0.69 -0.76 0.23 0.00 0.00 176.35 176.25 3cfk s LEU 5 N 0.55 4.38 0.47 1.79 1.43 -0.48 -4.21 118.68 122.62 3cfk s LEU 5 Ca 0.19 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.97 3cfk s LEU 5 Cb -0.21 -2.82 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 3cfk s LEU 5 CO -0.01 -0.80 0.88 -1.61 0.23 0.00 0.00 176.35 175.04 3cfk s GLU 6 N 2.97 3.82 0.30 1.70 8.01 -1.26 -1.34 118.70 132.89 3cfk s GLU 6 Ca 0.25 0.68 -0.20 0.00 0.01 0.00 0.00 54.97 55.71 3cfk s GLU 6 Cb -0.13 -2.26 0.04 0.00 -4.31 0.00 0.00 34.13 27.47 3cfk s GLU 6 CO 0.20 -0.19 0.78 -1.54 0.01 0.00 0.00 175.26 174.52 3cfk s SER 7 N -3.27 -0.16 0.00 -0.19 1.04 -0.17 -4.88 113.70 106.07 3cfk s SER 7 Ca 0.54 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.21 3cfk s SER 7 Cb -0.10 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3cfk s SER 7 CO 0.34 -1.40 0.00 0.61 0.98 0.00 0.00 173.24 173.78 3cfk n GLY 8 N -0.49 0.59 3.17 7.32 0.00 -1.26 -1.25 105.19 113.27 3cfk n GLY 8 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 3cfk n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfk n GLY 9 N -1.47 -1.27 0.00 -0.02 0.00 -1.26 -4.68 105.19 96.49 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 -2.07 0.80 3.70 -0.02 0.00 0.11 -4.95 105.19 102.76 3cfk n GLY 10 Ca 0.14 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 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 4.31 0.08 0.99 2.96 -1.26 -1.55 118.68 124.20 3cfk s LEU 11 Ca 0.00 1.44 0.06 0.00 -0.22 0.00 0.00 54.13 55.41 3cfk s LEU 11 Cb 0.00 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 3cfk s LEU 11 CO 0.00 -0.27 -0.16 0.00 -1.32 0.00 0.00 176.35 174.60 3cfk s ALA 12 N 1.25 1.38 0.28 5.97 0.00 0.02 -4.97 121.76 125.69 3cfk s ALA 12 Ca 0.46 -1.07 -0.15 0.00 0.00 0.00 0.00 51.96 51.20 3cfk s ALA 12 Cb -0.19 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 3cfk s ALA 12 CO 0.22 0.23 0.70 -0.65 0.00 0.00 0.00 175.76 176.26 3cfk s GLN 13 N -1.74 4.04 0.30 0.00 -0.21 -1.26 -1.41 119.66 119.38 3cfk s GLN 13 Ca 0.01 0.66 -0.30 0.00 0.02 0.00 0.00 55.36 55.76 3cfk s GLN 13 Cb -0.10 -2.59 -0.12 0.00 1.00 0.00 0.00 33.01 31.20 3cfk s GLN 13 CO 0.03 0.25 1.44 -2.30 -2.12 0.00 0.00 175.29 172.58 3cfk n PRO 14 N -0.02 2.33 0.00 2.91 -0.02 -1.26 -1.69 135.00 137.26 3cfk n PRO 14 Ca 0.01 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3cfk n PRO 14 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.52 2.93 3.79 -1.23 0.00 0.93 -4.90 105.19 108.24 3cfk n GLY 15 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 3cfk n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cfk s GLY 16 N -1.65 1.64 0.40 -0.02 0.00 -0.68 -3.75 107.32 103.26 3cfk s GLY 16 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.97 3cfk s GLY 16 CO 0.00 -0.14 0.07 -1.35 0.00 0.00 0.00 173.10 171.68 3cfk s SER 17 N -4.29 4.11 -0.19 1.64 1.04 -1.26 -2.64 113.70 112.12 3cfk s SER 17 Ca 0.68 -1.21 -0.27 0.00 0.48 0.00 0.00 55.95 55.63 3cfk s SER 17 Cb -0.10 -0.44 0.07 0.00 0.10 0.00 0.00 66.02 65.65 3cfk s SER 17 CO 0.54 -0.45 0.72 -0.22 0.98 0.00 0.00 173.24 174.80 3cfk s LEU 18 N -3.78 -0.70 -0.25 2.42 2.96 -0.23 -4.99 118.68 114.10 3cfk s LEU 18 Ca 0.37 1.15 0.03 0.00 -0.22 0.00 0.00 54.13 55.46 3cfk s LEU 18 Cb 0.06 2.48 0.06 0.00 0.50 0.00 0.00 46.19 49.28 3cfk s LEU 18 CO 0.20 -0.38 -0.12 -0.75 -1.32 0.00 0.00 176.35 173.97 3cfk s LYS 19 N -0.23 2.31 0.30 1.98 2.20 -1.26 -0.32 119.74 124.71 3cfk s LYS 19 Ca -0.04 -1.28 -0.10 0.00 -0.36 0.00 0.00 55.97 54.19 3cfk s LYS 19 Cb -0.03 -2.85 -0.07 0.00 -1.51 0.00 0.00 37.83 33.37 3cfk s LYS 19 CO 0.04 -0.53 0.63 -0.51 -0.36 0.00 0.00 175.35 174.62 3cfk s LEU 20 N 1.13 4.04 0.13 5.43 1.43 0.15 -4.63 118.68 126.36 3cfk s LEU 20 Ca -0.07 0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 3cfk s LEU 20 Cb -0.19 -3.79 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 3cfk s LEU 20 CO -0.06 -0.20 0.09 -0.94 0.23 0.00 0.00 176.35 175.47 3cfk s SER 21 N -2.74 0.27 -0.20 2.29 1.04 -0.38 -1.40 113.70 112.58 3cfk s SER 21 Ca 0.49 -1.13 -0.08 0.00 0.48 0.00 0.00 55.95 55.71 3cfk s SER 21 Cb -0.11 0.32 0.09 0.00 0.10 0.00 0.00 66.02 66.41 3cfk s SER 21 CO 0.25 -0.75 0.44 0.00 0.98 0.00 0.00 173.24 174.16 3cfk s ALA 23 N 2.34 3.30 0.04 0.00 0.00 -0.45 -0.97 121.76 126.03 3cfk s ALA 23 Ca -0.04 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.22 3cfk s ALA 23 Cb -0.11 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3cfk s ALA 23 CO -0.13 0.37 -0.19 0.00 0.00 0.00 0.00 175.76 175.80 3cfk s ALA 24 N -0.19 2.55 0.20 0.00 0.00 -0.23 -1.39 121.76 122.70 3cfk s ALA 24 Ca 0.06 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 3cfk s ALA 24 Cb -0.12 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3cfk s ALA 24 CO 0.02 0.57 0.36 -1.54 0.00 0.00 0.00 175.76 175.17 3cfk s SER 25 N -1.44 -0.03 0.00 0.00 1.04 -0.90 -4.83 113.70 107.55 3cfk s SER 25 Ca 0.14 -0.90 0.00 0.00 0.48 0.00 0.00 55.95 55.67 3cfk s SER 25 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3cfk s SER 25 CO 0.05 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.89 3cfk n GLY 26 N -0.29 0.78 3.56 7.32 0.00 -1.26 -1.62 105.19 113.67 3cfk n GLY 26 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.89 -0.17 -1.30 1.61 -0.71 -1.26 -4.52 117.98 108.75 3cfk s PHE 27 Ca 0.00 -0.18 -0.18 0.00 -1.04 0.00 0.00 56.93 55.53 3cfk s PHE 27 Cb 0.00 0.45 0.05 0.00 -1.21 0.00 0.00 43.02 42.31 3cfk s PHE 27 CO 0.00 -0.96 1.80 -3.47 -1.34 0.00 0.00 175.22 171.25 3cfk n ASP 28 N -0.36 4.66 -0.33 1.98 2.03 -1.26 -4.81 116.55 118.46 3cfk n ASP 28 Ca -0.10 -2.89 0.18 0.00 0.52 0.00 0.00 54.79 52.50 3cfk n ASP 28 Cb 0.62 -1.74 0.39 0.00 -0.72 0.00 0.00 41.12 39.67 3cfk n ASP 28 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3cfk h PHE 29 N 7.65 0.84 -1.05 -0.67 3.57 -1.95 -0.14 116.94 125.19 3cfk h PHE 29 Ca 0.44 0.04 0.30 0.00 3.53 0.00 0.00 57.97 62.28 3cfk h PHE 29 Cb 0.86 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 3cfk h PHE 29 CO 1.41 -0.07 0.87 0.00 -2.23 0.00 0.00 178.31 178.29 3cfk h ARG 30 N 0.42 0.00 0.00 1.11 3.08 -1.87 -2.42 114.38 114.70 3cfk h ARG 30 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.70 3cfk h ARG 30 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3cfk h ARG 30 CO -0.55 0.00 -0.99 0.54 -1.07 0.00 0.00 179.97 177.90 3cfk n ARG 31 N -3.90 0.16 -4.14 0.04 1.74 -0.07 -4.68 116.66 105.82 3cfk n ARG 31 Ca 0.22 -0.02 -0.32 0.00 -0.77 0.00 0.00 57.85 56.97 3cfk n ARG 31 Cb 1.21 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 31.04 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 3.18 0.44 -1.55 1.51 -0.91 -4.81 117.35 112.10 3cfk s TYR 32 Ca 0.06 0.12 -0.23 0.00 -1.01 0.00 0.00 57.07 56.01 3cfk s TYR 32 Cb 0.15 -1.67 -0.08 0.00 -0.11 0.00 0.00 41.96 40.25 3cfk s TYR 32 CO 0.81 0.51 1.09 -1.58 -1.11 0.00 0.00 175.55 175.27 3cfk s TRP 33 N -1.22 3.08 0.09 2.71 0.52 -1.25 -4.02 118.94 118.86 3cfk s TRP 33 Ca 0.24 1.60 0.07 0.00 0.02 0.00 0.00 56.10 58.03 3cfk s TRP 33 Cb -0.12 -3.20 -0.03 0.00 -1.15 0.00 0.00 33.47 28.97 3cfk s TRP 33 CO 0.15 -0.96 -0.19 -1.64 0.02 0.00 0.00 176.95 174.33 3cfk s MET 34 N -2.70 1.07 0.04 4.98 -1.94 -0.09 -1.82 119.30 118.84 3cfk s MET 34 Ca 0.62 -1.09 0.03 0.00 -1.71 0.00 0.00 55.69 53.53 3cfk s MET 34 Cb -0.23 -1.26 -0.02 0.00 2.01 0.00 0.00 34.83 35.33 3cfk s MET 34 CO 0.28 0.29 -0.09 0.99 -0.01 0.00 0.00 175.02 176.49 3cfk s THR 35 N -1.16 0.63 -0.09 2.05 2.01 0.73 -0.38 115.64 119.44 3cfk s THR 35 Ca 0.04 -0.98 0.01 0.00 0.31 0.00 0.00 61.69 61.07 3cfk s THR 35 Cb -0.10 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 3cfk s THR 35 CO 0.04 -0.27 -0.09 0.26 -0.69 0.00 0.00 174.62 173.87 3cfk s TRP 36 N -1.16 2.88 0.05 4.92 0.52 -0.42 -0.68 118.94 125.05 3cfk s TRP 36 Ca -0.07 -0.16 0.03 0.00 0.02 0.00 0.00 56.10 55.92 3cfk s TRP 36 Cb -0.09 -1.75 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 3cfk s TRP 36 CO 0.01 0.17 -0.09 0.08 0.02 0.00 0.00 176.95 177.13 3cfk s VAL 37 N -0.45 0.69 0.09 4.03 1.01 -0.11 -1.73 120.40 123.92 3cfk s VAL 37 Ca 0.06 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3cfk s VAL 37 Cb -0.12 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 3cfk s VAL 37 CO 0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 175.10 174.73 3cfk s ARG 38 N -1.56 0.79 -0.22 2.72 1.70 -0.49 0.14 118.95 122.03 3cfk s ARG 38 Ca -0.07 -1.20 -0.05 0.00 -0.47 0.00 0.00 55.73 53.95 3cfk s ARG 38 Cb -0.10 -0.31 0.08 0.00 -0.57 0.00 0.00 34.95 34.05 3cfk s ARG 38 CO 0.01 0.02 0.11 -1.14 -1.08 0.00 0.00 175.30 173.21 3cfk s GLN 39 N -3.19 0.12 0.80 3.89 0.74 0.18 -0.58 119.66 121.64 3cfk s GLN 39 Ca 0.07 -0.28 -0.12 0.00 0.05 0.00 0.00 55.36 55.08 3cfk s GLN 39 Cb 0.01 -1.56 0.08 0.00 1.10 0.00 0.00 33.01 32.64 3cfk s GLN 39 CO -0.03 -0.82 1.15 0.00 -0.55 0.00 0.00 175.29 175.04 3cfk s ALA 40 N 2.12 1.95 0.13 1.58 0.00 -1.26 -1.58 121.76 124.70 3cfk s ALA 40 Ca 0.05 0.58 -0.32 0.00 0.00 0.00 0.00 51.96 52.27 3cfk s ALA 40 Cb -0.16 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.44 3cfk s ALA 40 CO -0.21 -2.12 1.77 -2.30 0.00 0.00 0.00 175.76 172.90 3cfk n PRO 41 N -3.46 2.60 -1.24 0.00 -0.02 -1.26 -1.93 135.00 129.69 3cfk n PRO 41 Ca 0.11 0.94 -0.08 0.00 -2.02 0.00 0.00 63.50 62.45 3cfk n PRO 41 Cb 0.52 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 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 4.03 0.94 3.39 -1.23 0.00 -1.26 -4.99 105.19 106.07 3cfk n GLY 42 Ca 0.18 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.73 0.72 -1.45 1.61 5.02 -0.81 -5.16 118.16 116.36 3cfk n LYS 43 Ca -0.08 -3.47 -0.17 0.00 -2.02 0.00 0.00 58.31 52.57 3cfk n LYS 43 Cb 0.40 1.33 0.11 0.00 -0.02 0.00 0.00 35.03 36.85 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 -0.78 -0.60 3.82 0.72 0.00 -1.26 -4.68 105.19 102.41 3cfk n GLY 44 Ca -0.14 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.15 0.99 1.43 -1.26 -4.22 118.68 119.65 3cfk s LEU 45 Ca 0.46 1.48 -0.03 0.00 -1.03 0.00 0.00 54.13 55.01 3cfk s LEU 45 Cb -0.02 -3.98 0.05 0.00 0.03 0.00 0.00 46.19 42.27 3cfk s LEU 45 CO 0.31 -0.13 0.04 -0.70 0.23 0.00 0.00 176.35 176.10 3cfk s GLU 46 N -2.52 0.51 0.14 1.70 2.12 0.26 -4.99 118.70 115.92 3cfk s GLU 46 Ca 0.51 -0.18 -0.31 0.00 0.36 0.00 0.00 54.97 55.34 3cfk s GLU 46 Cb -0.14 -1.68 -0.10 0.00 0.26 0.00 0.00 34.13 32.48 3cfk s GLU 46 CO 0.19 -0.54 1.56 -0.46 -0.54 0.00 0.00 175.26 175.47 3cfk s TRP 47 N 1.95 2.99 -0.23 5.30 -0.00 -1.26 -1.40 118.94 126.28 3cfk s TRP 47 Ca 0.01 0.62 -0.16 0.00 -0.00 0.00 0.00 56.10 56.58 3cfk s TRP 47 Cb -0.15 -3.90 -0.11 0.00 -0.00 0.00 0.00 33.47 29.31 3cfk s TRP 47 CO -0.07 -3.36 -0.25 -0.89 -0.00 0.00 0.00 176.95 172.37 3cfk n ILE 48 N 4.09 1.51 -0.38 5.86 5.41 -0.71 -4.58 119.36 130.57 3cfk n ILE 48 Ca 0.14 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3cfk n ILE 48 Cb 0.39 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 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 1.36 -1.34 3.14 7.39 0.00 -1.18 -0.58 105.19 113.98 3cfk n GLY 49 Ca -0.37 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.79 0.55 -0.01 1.61 -1.05 -0.33 -1.30 118.70 116.38 3cfk s GLU 50 Ca 0.00 -0.43 0.03 0.00 -0.15 0.00 0.00 54.97 54.42 3cfk s GLU 50 Cb 0.00 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 3cfk s GLU 50 CO 0.00 -0.14 -0.09 -1.50 0.95 0.00 0.00 175.26 174.47 3cfk s ILE 51 N -1.66 0.75 0.75 1.83 2.07 0.49 -1.89 121.20 123.54 3cfk s ILE 51 Ca -0.12 -0.40 -0.09 0.00 -1.41 0.00 0.00 60.65 58.63 3cfk s ILE 51 Cb -0.06 -0.64 0.07 0.00 0.13 0.00 0.00 42.46 41.96 3cfk s ILE 51 CO 0.01 0.22 1.08 0.54 -1.91 0.00 0.00 174.94 174.87 3cfk s ASN 52 N -0.16 4.68 0.23 4.50 4.22 -0.83 -0.91 114.94 126.68 3cfk s ASN 52 Ca 0.03 0.58 -0.07 0.00 -2.14 0.00 0.00 52.86 51.26 3cfk s ASN 52 Cb -0.04 -1.16 0.40 0.00 1.28 0.00 0.00 41.25 41.73 3cfk s ASN 52 CO -0.00 -1.73 1.68 -0.65 -2.04 0.00 0.00 177.10 174.36 3cfk h PRO 52 N -0.78 0.22 -0.63 3.55 0.11 -1.84 -2.71 132.00 129.93 3cfk h PRO 52 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cfk h PRO 52 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3cfk h PRO 52 CO 0.62 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.16 3cfk n ASP 53 N -5.19 3.92 -2.59 -2.05 5.68 -1.26 -4.93 116.55 110.13 3cfk n ASP 53 Ca 0.12 -2.33 -0.20 0.00 -0.50 0.00 0.00 54.79 51.88 3cfk n ASP 53 Cb 0.42 -0.51 0.02 0.00 -1.14 0.00 0.00 41.12 39.91 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 0.93 -5.77 -0.03 -1.12 7.64 -1.02 -4.87 113.62 109.38 3cfk n SER 54 Ca 0.21 -0.17 0.01 0.00 1.01 0.00 0.00 58.87 59.93 3cfk n SER 54 Cb 0.73 -4.68 -0.09 0.00 -1.01 0.00 0.00 64.21 59.16 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 -3.44 1.27 -3.83 1.43 1.74 -1.26 -4.82 116.66 107.74 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 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 30.68 3cfk n ARG 55 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cfk s THR 56 N -2.53 3.43 -0.29 0.55 2.01 -1.26 -5.06 115.64 112.49 3cfk s THR 56 Ca -0.05 -1.12 0.01 0.00 0.31 0.00 0.00 61.69 60.85 3cfk s THR 56 Cb 0.05 -2.89 0.08 0.00 0.01 0.00 0.00 72.50 69.76 3cfk s THR 56 CO 0.45 -0.05 0.02 -0.63 -0.69 0.00 0.00 174.62 173.72 3cfk s ILE 57 N 1.36 1.53 -0.06 1.82 1.01 -1.26 -1.97 121.20 123.63 3cfk s ILE 57 Ca -0.02 -1.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.00 3cfk s ILE 57 Cb -0.19 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3cfk s ILE 57 CO 0.00 -0.41 0.17 0.20 0.00 0.00 0.00 174.94 174.90 3cfk s ASN 58 N 1.33 6.39 0.17 3.58 0.01 -0.79 -4.96 114.94 120.67 3cfk s ASN 58 Ca 0.04 0.42 0.07 0.00 -0.71 0.00 0.00 52.86 52.68 3cfk s ASN 58 Cb -0.18 -2.04 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 3cfk s ASN 58 CO -0.12 0.33 -0.15 -0.31 -1.51 0.00 0.00 177.10 175.34 3cfk s TYR 59 N -1.18 1.66 0.43 2.20 2.02 -1.26 -1.19 117.35 120.03 3cfk s TYR 59 Ca 0.21 -0.54 -0.25 0.00 -0.37 0.00 0.00 57.07 56.12 3cfk s TYR 59 Cb -0.12 -0.81 -0.08 0.00 -0.40 0.00 0.00 41.96 40.55 3cfk s TYR 59 CO 0.12 0.29 1.26 1.41 -1.57 0.00 0.00 175.55 177.05 3cfk s MET 60 N -3.16 3.84 -0.12 -0.62 -2.45 0.25 -4.93 119.30 112.11 3cfk s MET 60 Ca 0.17 2.03 -0.40 0.00 -1.25 0.00 0.00 55.69 56.24 3cfk s MET 60 Cb -0.03 -2.61 -0.17 0.00 1.25 0.00 0.00 34.83 33.27 3cfk s MET 60 CO 0.06 -0.56 1.48 -2.30 1.05 0.00 0.00 175.02 174.75 3cfk n PRO 61 N -0.15 0.86 -3.86 4.11 -0.02 -1.26 -4.89 135.00 129.80 3cfk n PRO 61 Ca 0.05 0.31 -0.04 0.00 -2.02 0.00 0.00 63.50 61.81 3cfk n PRO 61 Cb 0.45 -1.94 0.01 0.00 -0.02 0.00 0.00 33.50 32.01 3cfk n PRO 61 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cfk s SER 62 N 1.81 -0.02 0.53 2.55 1.04 -1.26 -5.17 113.70 113.18 3cfk s SER 62 Ca 0.93 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 56.58 3cfk s SER 62 Cb -1.10 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 3cfk s SER 62 CO 0.59 -1.07 0.87 -0.76 0.98 0.00 0.00 173.24 173.85 3cfk s LEU 63 N -3.30 3.50 0.03 2.42 1.43 -1.26 -4.97 118.68 116.52 3cfk s LEU 63 Ca 0.20 1.13 -0.34 0.00 -1.03 0.00 0.00 54.13 54.09 3cfk s LEU 63 Cb -0.03 -4.11 -0.13 0.00 0.03 0.00 0.00 46.19 41.96 3cfk s LEU 63 CO 0.06 -0.67 1.75 0.29 0.23 0.00 0.00 176.35 178.01 3cfk n LYS 64 N -2.35 2.20 -0.71 1.70 5.02 -1.26 -2.08 118.16 120.68 3cfk n LYS 64 Ca 0.03 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 3cfk n LYS 64 Cb 0.55 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 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 5.27 -0.05 -0.01 4.39 8.00 -1.26 -4.88 116.55 128.01 3cfk n ASP 65 Ca 0.20 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.70 3cfk n ASP 65 Cb 0.30 -1.47 -0.00 0.00 -0.02 0.00 0.00 41.12 39.93 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 1.24 -0.00 -5.60 -1.24 1.63 -1.75 -3.38 116.57 107.47 3cfk h LYS 66 Ca 0.00 0.00 -0.63 0.00 -0.85 0.00 0.00 60.65 59.17 3cfk h LYS 66 Cb 0.01 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 31.55 3cfk h LYS 66 CO 0.00 -0.00 -0.41 -0.06 -3.45 0.00 0.00 179.45 175.52 3cfk s PHE 67 N -3.06 3.56 -0.13 1.91 0.08 -1.26 -1.74 117.98 117.34 3cfk s PHE 67 Ca -0.00 0.57 -0.00 0.00 0.12 0.00 0.00 56.93 57.62 3cfk s PHE 67 Cb 0.00 -2.10 0.03 0.00 -0.57 0.00 0.00 43.02 40.38 3cfk s PHE 67 CO 0.01 0.56 -0.10 0.42 -0.10 0.00 0.00 175.22 176.01 3cfk s ILE 68 N -0.52 1.26 -0.14 0.64 1.01 -0.54 -4.97 121.20 117.94 3cfk s ILE 68 Ca 0.15 -0.47 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3cfk s ILE 68 Cb -0.13 -1.25 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 3cfk s ILE 68 CO 0.04 0.37 0.18 -0.63 0.00 0.00 0.00 174.94 174.90 3cfk s ILE 69 N 1.61 5.41 0.27 2.92 1.01 -1.26 -0.50 121.20 130.66 3cfk s ILE 69 Ca 0.04 0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.98 3cfk s ILE 69 Cb -0.13 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 3cfk s ILE 69 CO -0.09 0.53 0.30 -0.94 0.00 0.00 0.00 174.94 174.74 3cfk s SER 70 N -0.40 0.68 0.06 3.58 1.04 -0.89 -5.02 113.70 112.75 3cfk s SER 70 Ca 0.14 -1.44 -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 0.03 -1.05 0.24 0.00 0.98 0.00 0.00 173.24 173.44 3cfk s ARG 71 N -3.70 0.80 -0.34 4.02 1.70 -1.26 -0.33 118.95 119.84 3cfk s ARG 71 Ca 0.35 -0.70 0.01 0.00 -0.47 0.00 0.00 55.73 54.92 3cfk s ARG 71 Cb 0.03 0.33 0.11 0.00 -0.57 0.00 0.00 34.95 34.85 3cfk s ARG 71 CO 0.17 -0.25 0.12 0.34 -1.08 0.00 0.00 175.30 174.60 3cfk s ASP 72 N -2.36 4.07 0.51 -2.89 -1.08 0.27 -4.98 116.67 110.20 3cfk s ASP 72 Ca -0.02 -1.92 0.23 0.00 -0.52 0.00 0.00 52.55 50.33 3cfk s ASP 72 Cb 0.01 -1.02 1.36 0.00 -1.46 0.00 0.00 42.92 41.81 3cfk s ASP 72 CO -0.06 -0.38 2.07 0.78 0.52 0.00 0.00 175.17 178.10 3cfk h ASN 73 N 7.74 0.00 0.63 -0.34 2.35 -1.92 -1.61 115.58 122.43 3cfk h ASN 73 Ca -0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.59 3cfk h ASN 73 Cb 1.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.36 3cfk h ASN 73 CO 0.48 0.12 -0.32 0.00 -1.65 0.00 0.00 177.43 176.06 3cfk h ALA 74 N 1.88 1.15 -0.60 -0.83 0.00 -1.95 -2.91 119.26 116.00 3cfk h ALA 74 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3cfk h ALA 74 Cb 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3cfk h ALA 74 CO 0.02 0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.29 3cfk n LYS 75 N -3.69 2.74 -4.22 0.00 5.02 -0.66 -4.97 118.16 112.37 3cfk n LYS 75 Ca -0.01 -2.45 -0.32 0.00 -2.02 0.00 0.00 58.31 53.51 3cfk n LYS 75 Cb 0.43 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 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 1.31 -0.43 -4.13 4.39 3.02 -0.91 -4.73 115.26 113.79 3cfk n ASN 76 Ca 0.20 -1.15 -0.20 0.00 -0.03 0.00 0.00 54.58 53.41 3cfk n ASN 76 Cb 0.56 -2.22 -0.13 0.00 -0.61 0.00 0.00 39.78 37.37 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 -4.07 1.56 0.04 6.41 0.01 -0.86 -1.07 113.70 115.71 3cfk s SER 77 Ca 0.22 -0.43 0.08 0.00 1.31 0.00 0.00 55.95 57.13 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 0.96 0.03 -0.22 -0.22 0.41 0.00 0.00 173.24 174.19 3cfk s LEU 78 N -1.06 2.37 0.06 2.44 2.96 -0.14 -0.57 118.68 124.74 3cfk s LEU 78 Ca 0.01 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.48 3cfk s LEU 78 Cb -0.08 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3cfk s LEU 78 CO 0.01 0.26 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.85 3cfk s TYR 79 N -0.84 1.26 -0.12 5.38 2.02 0.55 -0.80 117.35 124.80 3cfk s TYR 79 Ca 0.13 -0.42 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 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 0.06 0.02 -1.17 -1.57 0.00 0.00 175.55 172.92 3cfk s LEU 80 N -1.53 0.72 -0.23 -1.29 2.96 -0.49 -2.11 118.68 116.71 3cfk s LEU 80 Ca -0.00 -0.36 -0.11 0.00 -0.22 0.00 0.00 54.13 53.44 3cfk s LEU 80 Cb -0.09 -0.45 -0.05 0.00 0.50 0.00 0.00 46.19 46.10 3cfk s LEU 80 CO 0.02 -0.25 0.20 -1.58 -1.32 0.00 0.00 176.35 173.42 3cfk s GLN 81 N 1.97 4.10 -0.11 1.98 0.74 0.34 -0.67 119.66 128.00 3cfk s GLN 81 Ca 0.03 -0.18 -0.02 0.00 0.05 0.00 0.00 55.36 55.24 3cfk s GLN 81 Cb -0.14 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 3cfk s GLN 81 CO -0.06 0.06 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.19 3cfk s LEU 82 N 1.06 3.35 0.28 3.68 1.43 0.57 -1.47 118.68 127.57 3cfk s LEU 82 Ca 0.10 -0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.22 3cfk s LEU 82 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 3cfk s LEU 82 CO 0.05 0.30 0.16 -0.94 0.23 0.00 0.00 176.35 176.15 3cfk s SER 82 N -0.41 1.15 -1.37 2.29 1.04 -0.71 -1.07 113.70 114.62 3cfk s SER 82 Ca 0.07 -1.53 -0.05 0.00 0.48 0.00 0.00 55.95 54.93 3cfk s SER 82 Cb -0.12 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3cfk s SER 82 CO 0.02 -0.88 0.45 0.54 0.98 0.00 0.00 173.24 174.34 3cfk n ARG 82 N -0.49 -2.64 -2.26 4.02 1.74 -1.23 -4.84 116.66 110.95 3cfk n ARG 82 Ca 0.02 0.37 -0.42 0.00 -0.77 0.00 0.00 57.85 57.05 3cfk n ARG 82 Cb 0.65 -4.29 -0.03 0.00 -1.02 0.00 0.00 32.46 27.77 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 -6.96 4.40 0.31 0.55 1.43 -1.08 -4.71 118.68 112.63 3cfk s LEU 82 Ca 0.09 2.29 0.06 0.00 -1.03 0.00 0.00 54.13 55.54 3cfk s LEU 82 Cb -0.04 -3.60 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 3cfk s LEU 82 CO 0.90 -0.54 -0.03 -0.13 0.23 0.00 0.00 176.35 176.78 3cfk s ARG 83 N 0.49 1.65 0.52 1.70 0.52 -1.26 -0.05 118.95 122.52 3cfk s ARG 83 Ca 0.59 -1.87 0.18 0.00 -0.52 0.00 0.00 55.73 54.11 3cfk s ARG 83 Cb -0.35 -1.20 1.29 0.00 0.52 0.00 0.00 34.95 35.21 3cfk s ARG 83 CO 0.34 -0.02 2.11 0.66 0.02 0.00 0.00 175.30 178.41 3cfk h SER 84 N 2.15 0.01 0.10 0.23 4.64 -1.97 0.13 113.55 118.84 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 0.70 0.01 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.33 3cfk h GLU 85 N 0.01 0.00 -0.00 4.77 5.08 -1.96 -1.37 114.58 121.11 3cfk h GLU 85 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3cfk h GLU 85 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3cfk h GLU 85 CO -0.00 0.01 -0.08 -0.25 -1.00 0.00 0.00 179.01 177.68 3cfk n ASP 86 N -3.28 0.21 -4.67 1.42 8.00 0.44 -4.82 116.55 113.84 3cfk n ASP 86 Ca -0.03 -0.16 -0.42 0.00 0.71 0.00 0.00 54.79 54.89 3cfk n ASP 86 Cb 0.10 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 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 -2.67 6.60 0.01 -2.24 0.01 -0.52 -4.91 113.70 109.99 3cfk s SER 87 Ca 0.24 2.41 -0.29 0.00 1.31 0.00 0.00 55.95 59.61 3cfk s SER 87 Cb 0.20 -2.54 0.11 0.00 0.21 0.00 0.00 66.02 63.99 3cfk s SER 87 CO 0.50 -0.94 1.24 0.00 0.41 0.00 0.00 173.24 174.46 3cfk s ALA 88 N 3.68 -2.17 -0.06 1.44 0.00 -0.64 -4.46 121.76 119.55 3cfk s ALA 88 Ca 0.77 0.53 -0.24 0.00 0.00 0.00 0.00 51.96 53.02 3cfk s ALA 88 Cb -0.37 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 3cfk s ALA 88 CO 0.33 -1.06 0.71 -0.51 0.00 0.00 0.00 175.76 175.22 3cfk s LEU 89 N -3.07 4.33 -0.22 0.00 1.43 -0.61 -1.43 118.68 119.10 3cfk s LEU 89 Ca 0.16 1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 54.41 3cfk s LEU 89 Cb 0.03 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.14 3cfk s LEU 89 CO -0.03 -0.11 0.01 -0.31 0.23 0.00 0.00 176.35 176.15 3cfk s TYR 90 N 0.74 3.03 -0.14 0.29 1.51 -0.80 -0.64 117.35 121.34 3cfk s TYR 90 Ca 0.38 -0.58 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 3cfk s TYR 90 Cb -0.18 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 3cfk s TYR 90 CO 0.18 -0.37 -0.03 0.71 -1.11 0.00 0.00 175.55 174.94 3cfk s TYR 91 N 1.33 3.05 -0.16 2.71 2.02 0.38 -2.30 117.35 124.38 3cfk s TYR 91 Ca 0.04 -0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.25 3cfk s TYR 91 Cb -0.15 -1.93 -0.01 0.00 -0.40 0.00 0.00 41.96 39.47 3cfk s TYR 91 CO 0.01 0.05 1.09 0.00 -1.57 0.00 0.00 175.55 175.13 3cfk s VAL 93 N 2.80 0.54 -0.00 0.00 1.01 0.14 -0.53 120.40 124.36 3cfk s VAL 93 Ca 0.49 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 62.07 3cfk s VAL 93 Cb -0.18 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 3cfk s VAL 93 CO 0.13 0.21 0.71 -0.60 0.00 0.00 0.00 175.10 175.55 3cfk s ARG 94 N 0.69 4.44 -0.23 2.72 3.52 0.10 -0.19 118.95 129.99 3cfk s ARG 94 Ca -0.09 0.94 -0.08 0.00 -0.13 0.00 0.00 55.73 56.37 3cfk s ARG 94 Cb -0.12 -3.39 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 3cfk s ARG 94 CO 0.00 0.23 0.08 -1.17 -0.81 0.00 0.00 175.30 173.63 3cfk s LEU 95 N 0.20 3.59 -0.36 -0.88 2.96 -0.76 -1.95 118.68 121.48 3cfk s LEU 95 Ca 0.37 -0.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.00 3cfk s LEU 95 Cb -0.19 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.55 3cfk s LEU 95 CO 0.20 0.03 0.47 -0.62 -1.32 0.00 0.00 176.35 175.11 3cfk s ASP 96 N 1.25 6.27 0.43 3.68 2.15 0.68 -3.80 116.67 127.32 3cfk s ASP 96 Ca 0.05 -0.17 -0.02 0.00 0.43 0.00 0.00 52.55 52.84 3cfk s ASP 96 Cb -0.14 -2.25 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 3cfk s ASP 96 CO 0.04 -0.47 0.68 0.12 -0.17 0.00 0.00 175.17 175.37 3cfk s PHE 97 N 2.28 3.47 -0.33 -5.34 5.36 -1.26 -1.84 117.98 120.33 3cfk s PHE 97 Ca 0.16 0.53 -0.09 0.00 -0.96 0.00 0.00 56.93 56.57 3cfk s PHE 97 Cb -0.16 -2.16 0.20 0.00 -0.34 0.00 0.00 43.02 40.56 3cfk s PHE 97 CO 0.13 -0.16 1.09 0.34 -1.46 0.00 0.00 175.22 175.17 3cfk s ASP 98 N -4.10 -0.24 0.35 6.13 -1.08 -1.26 -4.93 116.67 111.54 3cfk s ASP 98 Ca 0.45 -0.19 0.05 0.00 -0.52 0.00 0.00 52.55 52.34 3cfk s ASP 98 Cb -0.10 0.31 0.65 0.00 -1.46 0.00 0.00 42.92 42.33 3cfk s ASP 98 CO 0.40 -0.02 1.90 0.58 0.52 0.00 0.00 175.17 178.56 3cfk h VAL 99 N 2.97 1.18 -0.08 1.11 2.07 -1.97 -1.84 116.25 119.68 3cfk h VAL 99 Ca -0.03 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 3cfk h VAL 99 Cb 1.21 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3cfk h VAL 99 CO -0.10 0.24 0.02 1.88 0.02 0.00 0.00 177.57 179.64 3cfk h TYR 100 N 0.48 0.14 0.00 1.57 0.05 -2.06 -3.06 116.97 114.10 3cfk h TYR 100 Ca 0.11 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3cfk h TYR 100 Cb 0.28 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3cfk h TYR 100 CO 0.01 0.32 0.00 0.09 -1.05 0.00 0.00 178.16 177.53 3cfk n ASN 100 N -4.89 0.71 -2.37 3.88 3.02 -1.08 -5.25 115.26 109.29 3cfk n ASN 100 Ca -0.06 0.61 -0.03 0.00 -0.03 0.00 0.00 54.58 55.07 3cfk n ASN 100 Cb 0.15 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 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 -2.22 -2.51 0.00 3.10 8.25 -0.71 -5.11 115.22 116.02 3cfk n HIS 100 Ca 0.04 1.06 0.00 0.00 -0.26 0.00 0.00 57.72 58.56 3cfk n HIS 100 Cb 0.33 -3.22 0.00 0.00 1.12 0.00 0.00 29.99 28.22 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 0.01 0.00 -5.04 4.41 4.02 -1.26 -5.05 117.16 114.25 3cfk n TYR 100 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.66 3cfk n TYR 100 Cb 0.17 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.33 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 1.71 -0.83 -0.72 1.01 -0.77 -4.95 120.40 115.84 3cfk s VAL 100 Ca 0.00 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.83 3cfk s VAL 100 Cb 0.00 -1.43 0.10 0.00 0.00 0.00 0.00 36.38 35.05 3cfk s VAL 100 CO 0.00 0.47 1.11 -0.76 0.00 0.00 0.00 175.10 175.91 3cfk s LEU 100 N -0.56 4.58 -0.22 3.92 1.43 -1.26 -0.23 118.68 126.34 3cfk s LEU 100 Ca 0.08 -1.54 -0.13 0.00 -1.03 0.00 0.00 54.13 51.51 3cfk s LEU 100 Cb -0.08 -2.43 -0.18 0.00 0.03 0.00 0.00 46.19 43.53 3cfk s LEU 100 CO -0.01 -1.28 -0.01 -0.90 0.23 0.00 0.00 176.35 174.39 3cfk n ASP 101 N 7.32 1.96 -4.44 2.29 5.75 -0.82 -4.90 116.55 123.71 3cfk n ASP 101 Ca 0.14 0.26 -0.33 0.00 -0.01 0.00 0.00 54.79 54.85 3cfk n ASP 101 Cb 0.48 -0.81 -0.13 0.00 -1.03 0.00 0.00 41.12 39.63 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 -2.47 2.86 -0.03 2.11 2.02 -1.25 -4.99 117.35 115.59 3cfk s TYR 102 Ca -0.32 -0.42 0.07 0.00 -0.37 0.00 0.00 57.07 56.03 3cfk s TYR 102 Cb 0.09 -1.82 -0.02 0.00 -0.40 0.00 0.00 41.96 39.82 3cfk s TYR 102 CO 0.59 -0.05 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.70 3cfk s TRP 103 N 0.06 2.30 1.05 2.71 0.52 -1.26 -0.72 118.94 123.60 3cfk s TRP 103 Ca -0.04 -0.54 -0.15 0.00 0.02 0.00 0.00 56.10 55.40 3cfk s TRP 103 Cb -0.14 -1.49 0.21 0.00 -1.15 0.00 0.00 33.47 30.90 3cfk s TRP 103 CO 0.04 -0.11 1.12 0.20 0.02 0.00 0.00 176.95 178.22 3cfk s GLY 104 N -0.41 1.58 0.39 0.98 0.00 0.31 -4.88 107.32 105.29 3cfk s GLY 104 Ca 0.04 -0.63 0.21 0.00 0.00 0.00 0.00 44.72 44.34 3cfk s GLY 104 CO 0.01 0.07 1.66 1.46 0.00 0.00 0.00 173.10 176.29 3cfk h GLN 105 N -2.03 0.00 0.00 2.90 4.20 -1.90 -3.44 115.11 114.83 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 1.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.10 3cfk h GLN 105 CO 0.50 0.26 0.00 0.41 -0.67 0.00 0.00 178.83 179.34 3cfk n GLY 106 N 0.71 1.68 3.26 3.46 0.00 -1.26 -4.99 105.19 108.05 3cfk n GLY 106 Ca 0.02 -1.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.33 1.97 0.05 2.61 -1.32 -0.97 -4.90 115.64 110.74 3cfk s THR 107 Ca 0.00 -1.03 -0.26 0.00 -1.21 0.00 0.00 61.69 59.19 3cfk s THR 107 Cb 0.00 -1.65 -0.05 0.00 -1.51 0.00 0.00 72.50 69.28 3cfk s THR 107 CO 0.00 0.55 0.81 -0.55 -2.21 0.00 0.00 174.62 173.22 3cfk s SER 108 N -0.27 7.26 -0.12 8.08 0.15 -1.26 -1.90 113.70 125.64 3cfk s SER 108 Ca 0.00 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.19 3cfk s SER 108 Cb -0.12 -2.49 0.01 0.00 -1.71 0.00 0.00 66.02 61.71 3cfk s SER 108 CO 0.02 -0.01 -0.19 -0.69 1.20 0.00 0.00 173.24 173.57 3cfk s VAL 109 N -0.00 1.77 -0.11 4.45 1.01 -0.51 0.05 120.40 127.05 3cfk s VAL 109 Ca 0.40 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3cfk s VAL 109 Cb -0.21 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3cfk s VAL 109 CO 0.24 0.49 -0.23 -0.89 0.00 0.00 0.00 175.10 174.72 3cfk s THR 110 N 0.83 2.11 -0.35 3.92 2.01 -0.60 -1.62 115.64 121.94 3cfk s THR 110 Ca -0.09 -0.99 -0.12 0.00 0.31 0.00 0.00 61.69 60.81 3cfk s THR 110 Cb -0.16 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.54 3cfk s THR 110 CO -0.00 0.55 0.22 -0.69 -0.69 0.00 0.00 174.62 174.01 3cfk s VAL 111 N 0.50 4.95 -0.16 3.82 1.01 -1.26 -0.80 120.40 128.46 3cfk s VAL 111 Ca -0.15 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 3cfk s VAL 111 Cb -0.17 -3.63 0.11 0.00 0.00 0.00 0.00 36.38 32.69 3cfk s VAL 111 CO 0.05 -0.10 0.92 -0.55 0.00 0.00 0.00 175.10 175.43 3cfk s SER 112 N 1.65 -0.46 0.00 3.32 0.15 -0.50 -4.59 113.70 113.27 3cfk s SER 112 Ca 0.05 0.59 0.24 0.00 0.70 0.00 0.00 55.95 57.52 3cfk s SER 112 Cb -0.18 0.49 0.27 0.00 -1.71 0.00 0.00 66.02 64.89 3cfk s SER 112 CO 0.08 -0.37 1.25 -1.54 1.20 0.00 0.00 173.24 173.87 3cfk n SER 113 N 1.09 1.01 -4.66 5.45 3.41 -1.26 -4.23 113.62 114.43 3cfk n SER 113 Ca -0.13 -0.82 -0.39 0.00 -0.26 0.00 0.00 58.87 57.28 3cfk n SER 113 Cb 0.57 0.47 0.04 0.00 -0.26 0.00 0.00 64.21 65.04 3cfk n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cfk n ALA 114 N -1.06 0.69 -2.41 7.33 0.00 -1.26 -5.00 120.51 118.80 3cfk n ALA 114 Ca 0.07 0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 3cfk n ALA 114 Cb 0.36 -2.19 -0.00 0.00 0.00 0.00 0.00 19.45 17.62 3cfk n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cfk s SER 115 N -1.02 6.15 0.48 0.00 1.04 -1.26 -5.05 113.70 114.03 3cfk s SER 115 Ca 0.72 0.63 -0.23 0.00 0.48 0.00 0.00 55.95 57.55 3cfk s SER 115 Cb -0.44 -2.01 -0.07 0.00 0.10 0.00 0.00 66.02 63.60 3cfk s SER 115 CO 0.50 -0.53 1.26 -0.89 0.98 0.00 0.00 173.24 174.55 3cfk s THR 116 N -2.58 2.66 -0.05 2.02 2.01 -1.26 -4.82 115.64 113.62 3cfk s THR 116 Ca 0.45 0.51 -0.02 0.00 0.31 0.00 0.00 61.69 62.95 3cfk s THR 116 Cb -0.10 -3.27 0.04 0.00 0.01 0.00 0.00 72.50 69.18 3cfk s THR 116 CO 0.41 0.01 0.09 -0.75 -0.69 0.00 0.00 174.62 173.68 3cfk s LYS 117 N -2.67 -0.01 0.55 4.92 2.20 0.75 -4.94 119.74 120.54 3cfk s LYS 117 Ca 0.65 0.36 -0.18 0.00 -0.36 0.00 0.00 55.97 56.44 3cfk s LYS 117 Cb -0.35 -0.33 -0.05 0.00 -1.51 0.00 0.00 37.83 35.59 3cfk s LYS 117 CO 0.42 -0.25 1.06 0.20 -0.36 0.00 0.00 175.35 176.42 3cfk s GLY 118 N 1.70 2.34 0.47 5.54 0.00 -1.26 -1.22 107.32 114.88 3cfk s GLY 118 Ca -0.02 0.54 -0.16 0.00 0.00 0.00 0.00 44.72 45.08 3cfk s GLY 118 CO -0.04 0.87 0.92 2.56 0.00 0.00 0.00 173.10 177.41 3cfk s PRO 119 N -3.65 3.96 0.06 2.90 0.04 -1.26 -4.53 135.00 132.52 3cfk s PRO 119 Ca 0.66 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.41 3cfk s PRO 119 Cb -0.17 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.09 3cfk s PRO 119 CO 0.29 -0.16 0.49 -1.12 0.04 0.00 0.00 177.00 176.54 3cfk s SER 120 N -2.90 6.89 -0.19 6.66 0.01 -0.37 -4.92 113.70 118.88 3cfk s SER 120 Ca 0.58 1.07 -0.01 0.00 1.31 0.00 0.00 55.95 58.90 3cfk s SER 120 Cb -0.10 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 63.85 3cfk s SER 120 CO 0.28 0.26 -0.14 -0.69 0.41 0.00 0.00 173.24 173.35 3cfk s VAL 121 N -1.19 2.59 -0.05 3.43 1.01 -1.26 -0.64 120.40 124.30 3cfk s VAL 121 Ca 0.29 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3cfk s VAL 121 Cb -0.17 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3cfk s VAL 121 CO 0.17 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.15 3cfk s PHE 122 N 1.35 2.41 0.39 5.22 0.08 0.12 -4.96 117.98 122.59 3cfk s PHE 122 Ca 0.05 -0.64 -0.26 0.00 0.12 0.00 0.00 56.93 56.20 3cfk s PHE 122 Cb -0.14 -1.57 -0.09 0.00 -0.57 0.00 0.00 43.02 40.66 3cfk s PHE 122 CO -0.09 -0.16 1.23 -1.25 -0.10 0.00 0.00 175.22 174.84 3cfk s PRO 123 N -0.29 4.09 -0.69 0.24 0.04 -1.26 0.03 135.00 137.15 3cfk s PRO 123 Ca 0.00 1.99 -0.07 0.00 0.04 0.00 0.00 61.00 62.96 3cfk s PRO 123 Cb -0.13 -2.77 0.18 0.00 0.04 0.00 0.00 34.50 31.82 3cfk s PRO 123 CO 0.02 -0.34 0.55 -0.51 0.04 0.00 0.00 177.00 176.77 3cfk s LEU 124 N -2.34 5.84 0.27 -3.56 1.43 0.18 -4.78 118.68 115.72 3cfk s LEU 124 Ca 0.55 -2.72 -0.29 0.00 -1.03 0.00 0.00 54.13 50.64 3cfk s LEU 124 Cb -0.34 -2.00 -0.10 0.00 0.03 0.00 0.00 46.19 43.78 3cfk s LEU 124 CO 0.44 -0.47 1.29 0.00 0.23 0.00 0.00 176.35 177.84 3cfk s ALA 125 N 0.14 3.51 0.55 4.21 0.00 -1.26 -1.30 121.76 127.60 3cfk s ALA 125 Ca 0.16 1.17 -0.08 0.00 0.00 0.00 0.00 51.96 53.22 3cfk s ALA 125 Cb -0.17 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 3cfk s ALA 125 CO -0.05 -0.55 0.90 -1.25 0.00 0.00 0.00 175.76 174.81 3cfk s PRO 126 N -1.06 3.49 -0.03 0.00 0.04 -1.26 -4.85 135.00 131.33 3cfk s PRO 126 Ca 0.52 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.98 3cfk s PRO 126 Cb -0.38 -2.24 0.01 0.00 0.04 0.00 0.00 34.50 31.93 3cfk s PRO 126 CO 0.46 -0.42 -0.06 0.45 0.04 0.00 0.00 177.00 177.47 3cfk s SER 127 N -4.16 0.93 0.54 6.66 0.15 -1.26 -1.39 113.70 115.17 3cfk s SER 127 Ca 0.51 -0.14 0.34 0.00 0.70 0.00 0.00 55.95 57.36 3cfk s SER 127 Cb -0.11 -0.34 1.51 0.00 -1.71 0.00 0.00 66.02 65.37 3cfk s SER 127 CO 0.49 -0.00 1.85 -1.28 1.20 0.00 0.00 173.24 175.50 3cfk h SER 128 N 6.75 0.00 0.71 5.45 0.87 -1.97 -0.55 113.55 124.81 3cfk h SER 128 Ca -0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3cfk h SER 128 Cb 1.16 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 3cfk h SER 128 CO 0.48 0.00 -0.35 0.29 -0.53 0.00 0.00 176.83 176.72 3cfk n LYS 129 N -4.21 0.04 -2.82 2.24 5.02 -1.26 -4.39 118.16 112.78 3cfk n LYS 129 Ca 0.21 0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.20 3cfk n LYS 129 Cb 1.08 -1.53 -0.02 0.00 -0.02 0.00 0.00 35.03 34.55 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 -1.58 5.41 -4.88 4.39 7.64 -0.22 -5.04 113.62 119.34 3cfk n SER 130 Ca 0.06 -3.69 -0.31 0.00 1.01 0.00 0.00 58.87 55.93 3cfk n SER 130 Cb 0.35 -0.75 -0.05 0.00 -1.01 0.00 0.00 64.21 62.76 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 -4.48 5.18 -0.08 0.44 -4.23 -1.26 -4.62 115.64 106.58 3cfk s THR 133 Ca 0.46 -0.47 -0.07 0.00 -1.18 0.00 0.00 61.69 60.43 3cfk s THR 133 Cb 0.26 -3.51 0.03 0.00 1.34 0.00 0.00 72.50 70.61 3cfk s THR 133 CO -0.14 0.15 0.22 -0.55 -0.54 0.00 0.00 174.62 173.75 3cfk s SER 134 N -2.45 -0.23 -1.56 3.99 0.15 -0.35 -4.90 113.70 108.36 3cfk s SER 134 Ca 0.33 0.45 -0.13 0.00 0.70 0.00 0.00 55.95 57.30 3cfk s SER 134 Cb -0.13 0.43 0.09 0.00 -1.71 0.00 0.00 66.02 64.71 3cfk s SER 134 CO 0.26 -0.09 0.85 0.61 1.20 0.00 0.00 173.24 176.06 3cfk n GLY 135 N 3.18 -0.44 2.48 9.45 0.00 -1.26 -1.28 105.19 117.33 3cfk n GLY 135 Ca -0.15 0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.62 1.24 3.22 -0.02 0.00 -1.26 -5.00 105.19 101.76 3cfk n GLY 136 Ca -0.01 -0.26 -0.16 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 -2.30 1.19 -0.02 2.61 -4.23 -0.40 -2.22 115.64 110.26 3cfk s THR 137 Ca 0.00 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 58.79 3cfk s THR 137 Cb 0.00 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.29 3cfk s THR 137 CO 0.00 -0.50 -0.05 0.00 -0.54 0.00 0.00 174.62 173.53 3cfk s ALA 138 N -2.38 3.09 -0.05 3.99 0.00 0.78 -1.21 121.76 125.98 3cfk s ALA 138 Ca 0.09 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.14 3cfk s ALA 138 Cb -0.03 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 3cfk s ALA 138 CO 0.02 0.61 -0.16 0.00 0.00 0.00 0.00 175.76 176.23 3cfk s ALA 139 N -0.96 2.60 0.11 0.00 0.00 -1.26 -0.97 121.76 121.28 3cfk s ALA 139 Ca 0.16 -1.00 -0.06 0.00 0.00 0.00 0.00 51.96 51.06 3cfk s ALA 139 Cb -0.11 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 3cfk s ALA 139 CO 0.06 0.55 0.15 -0.48 0.00 0.00 0.00 175.76 176.04 3cfk s LEU 140 N -0.71 1.56 0.00 0.00 0.05 -0.25 -3.99 118.68 115.33 3cfk s LEU 140 Ca 0.11 -0.86 -0.05 0.00 0.05 0.00 0.00 54.13 53.39 3cfk s LEU 140 Cb -0.11 0.81 0.02 0.00 -2.05 0.00 0.00 46.19 44.86 3cfk s LEU 140 CO 0.00 -0.75 0.23 0.61 -0.55 0.00 0.00 176.35 175.90 3cfk n GLY 141 N -0.07 0.95 2.98 -3.48 0.00 -0.42 0.26 105.19 105.41 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 0.36 4.39 -0.45 0.00 2.96 0.10 -1.30 118.68 124.74 3cfk s LEU 143 Ca -0.06 -0.16 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 3cfk s LEU 143 Cb -0.10 -2.38 0.08 0.00 0.50 0.00 0.00 46.19 44.28 3cfk s LEU 143 CO 0.01 -0.34 0.35 -0.69 -1.32 0.00 0.00 176.35 174.35 3cfk s VAL 144 N 2.07 4.87 0.01 1.68 1.01 0.74 -0.70 120.40 130.08 3cfk s VAL 144 Ca 0.13 -1.20 0.07 0.00 0.00 0.00 0.00 61.98 60.98 3cfk s VAL 144 Cb -0.16 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3cfk s VAL 144 CO 0.12 -0.56 -0.22 -0.75 0.00 0.00 0.00 175.10 173.69 3cfk s LYS 145 N 1.56 1.64 -0.64 2.72 2.20 0.19 -1.14 119.74 126.27 3cfk s LYS 145 Ca 0.04 -0.84 -0.04 0.00 -0.36 0.00 0.00 55.97 54.77 3cfk s LYS 145 Cb -0.24 -1.65 -0.04 0.00 -1.51 0.00 0.00 37.83 34.39 3cfk s LYS 145 CO 0.05 0.44 0.56 -0.25 -0.36 0.00 0.00 175.35 175.79 3cfk n ASP 146 N 2.30 -4.81 -4.41 1.43 8.00 -0.45 -1.23 116.55 117.37 3cfk n ASP 146 Ca -0.16 -0.43 -0.21 0.00 0.71 0.00 0.00 54.79 54.69 3cfk n ASP 146 Cb 0.53 -3.37 -0.10 0.00 -0.02 0.00 0.00 41.12 38.15 3cfk n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3cfk s TYR 147 N -3.24 2.02 -0.28 1.24 1.13 -0.78 -4.23 117.35 113.22 3cfk s TYR 147 Ca 0.28 -0.44 -0.21 0.00 -1.41 0.00 0.00 57.07 55.28 3cfk s TYR 147 Cb -0.04 -0.90 0.08 0.00 -1.10 0.00 0.00 41.96 40.00 3cfk s TYR 147 CO 0.45 0.55 0.74 0.12 -2.51 0.00 0.00 175.55 174.90 3cfk s PHE 148 N -2.70 -0.87 0.38 -3.49 5.36 -0.36 -0.68 117.98 115.62 3cfk s PHE 148 Ca 0.26 1.93 0.00 0.00 -0.96 0.00 0.00 56.93 58.16 3cfk s PHE 148 Cb -0.03 0.43 0.08 0.00 -0.34 0.00 0.00 43.02 43.15 3cfk s PHE 148 CO 0.11 -0.43 0.52 -0.35 -1.46 0.00 0.00 175.22 173.62 3cfk n PRO 149 N 3.36 0.25 -0.88 10.12 -0.04 -1.26 -0.18 135.00 146.37 3cfk n PRO 149 Ca -0.17 -1.43 -0.31 0.00 -0.04 0.00 0.00 63.50 61.55 3cfk n PRO 149 Cb 0.57 -0.34 0.14 0.00 -0.04 0.00 0.00 33.50 33.83 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 -3.80 1.37 0.43 0.54 0.41 -1.26 -4.75 118.70 111.63 3cfk s GLU 150 Ca 0.35 1.41 0.08 0.00 -0.41 0.00 0.00 54.97 56.39 3cfk s GLU 150 Cb -0.02 -1.78 0.01 0.00 -1.78 0.00 0.00 34.13 30.56 3cfk s GLU 150 CO 0.23 -2.34 0.52 -1.25 -0.49 0.00 0.00 175.26 171.93 3cfk s PRO 151 N -4.73 2.69 0.00 0.39 0.04 -1.26 -4.94 135.00 127.19 3cfk s PRO 151 Ca 0.65 -1.37 0.05 0.00 0.04 0.00 0.00 61.00 60.37 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 0.57 -0.29 -0.14 0.14 0.04 0.00 0.00 177.00 177.32 3cfk s VAL 152 N -2.42 3.07 -0.09 -0.36 -7.23 -1.26 -4.49 120.40 107.62 3cfk s VAL 152 Ca 0.53 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.72 3cfk s VAL 152 Cb -0.08 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3cfk s VAL 152 CO 0.32 0.44 0.09 0.42 -0.31 0.00 0.00 175.10 176.05 3cfk s THR 153 N -0.87 5.01 -0.02 5.32 -4.23 -0.82 -4.98 115.64 115.04 3cfk s THR 153 Ca 0.14 -0.03 0.05 0.00 -1.18 0.00 0.00 61.69 60.67 3cfk s THR 153 Cb -0.11 -3.17 -0.01 0.00 1.34 0.00 0.00 72.50 70.55 3cfk s THR 153 CO 0.04 0.58 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.84 3cfk s VAL 154 N -1.01 1.32 0.24 2.29 1.01 -1.26 -1.59 120.40 121.41 3cfk s VAL 154 Ca 0.16 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3cfk s VAL 154 Cb -0.12 -1.11 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 3cfk s VAL 154 CO 0.05 0.38 0.31 -0.94 0.00 0.00 0.00 175.10 174.90 3cfk s SER 156 N -0.27 0.23 -0.13 3.32 1.04 -0.29 -4.97 113.70 112.62 3cfk s SER 156 Ca 0.04 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.25 3cfk s SER 156 Cb -0.08 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.55 3cfk s SER 156 CO 0.00 -1.02 -0.22 0.26 0.98 0.00 0.00 173.24 173.24 3cfk s TRP 157 N -3.94 2.65 -1.24 5.02 0.52 -1.26 0.05 118.94 120.75 3cfk s TRP 157 Ca 0.32 -1.23 -0.05 0.00 0.02 0.00 0.00 56.10 55.17 3cfk s TRP 157 Cb 0.03 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 3cfk s TRP 157 CO 0.13 -0.54 0.75 0.09 0.02 0.00 0.00 176.95 177.40 3cfk n ASN 162 N 3.91 -2.65 -3.05 2.95 3.02 0.11 -2.01 115.26 117.54 3cfk n ASN 162 Ca -0.20 -0.84 -0.20 0.00 -0.03 0.00 0.00 54.58 53.32 3cfk n ASN 162 Cb 0.52 -4.12 0.00 0.00 -0.61 0.00 0.00 39.78 35.57 3cfk n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3cfk n SER 163 N -3.01 -4.13 0.00 6.41 7.64 -1.26 -1.23 113.62 118.04 3cfk n SER 163 Ca -0.23 -0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.44 3cfk n SER 163 Cb 0.65 -3.42 0.00 0.00 -1.01 0.00 0.00 64.21 60.43 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 -0.85 -4.91 105.19 100.10 3cfk n GLY 164 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 1.19 -3.10 4.61 0.00 -1.12 -3.42 119.26 117.42 3cfk h ALA 165 Ca 0.00 -0.19 -0.70 0.00 0.00 0.00 0.00 54.91 54.02 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 -0.60 -1.17 0.00 0.00 0.00 179.25 177.74 3cfk s LEU 166 N -7.23 4.35 0.00 0.00 2.96 -0.89 -4.92 118.68 112.95 3cfk s LEU 166 Ca -0.02 -1.10 0.00 0.00 -0.22 0.00 0.00 54.13 52.79 3cfk s LEU 166 Cb 0.12 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.92 3cfk s LEU 166 CO 0.63 -0.33 0.00 0.35 -1.32 0.00 0.00 176.35 175.68 3cfk n THR 167 N 4.84 0.00 -1.65 3.68 -2.24 -1.26 -4.30 114.28 113.34 3cfk n THR 167 Ca -0.12 0.00 -0.46 0.00 -2.27 0.00 0.00 64.05 61.19 3cfk n THR 167 Cb 0.45 -0.43 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 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 2.57 0.00 3.42 7.64 -1.26 -2.19 113.62 121.47 3cfk n SER 168 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 3cfk n SER 168 Cb 0.42 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.24 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 2.46 1.05 3.74 0.23 0.00 -1.26 -4.80 105.19 106.61 3cfk n GLY 169 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 3cfk n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfk s VAL 171 N -3.80 4.91 -0.11 1.61 1.01 -0.93 -1.95 120.40 121.14 3cfk s VAL 171 Ca 0.00 1.39 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 3cfk s VAL 171 Cb 0.00 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.41 3cfk s VAL 171 CO 0.00 0.35 -0.03 -1.00 0.00 0.00 0.00 175.10 174.42 3cfk s HIS 172 N 0.15 1.17 -0.26 5.22 3.76 -0.28 -5.00 115.29 120.05 3cfk s HIS 172 Ca 0.35 -0.59 -0.10 0.00 -0.15 0.00 0.00 55.06 54.57 3cfk s HIS 172 Cb -0.19 -1.07 -0.05 0.00 1.11 0.00 0.00 32.58 32.39 3cfk s HIS 172 CO 0.19 -0.47 0.16 0.99 -0.85 0.00 0.00 174.74 174.76 3cfk s THR 173 N 1.81 5.20 0.25 1.30 2.01 -1.26 -0.32 115.64 124.63 3cfk s THR 173 Ca 0.04 0.13 -0.17 0.00 0.31 0.00 0.00 61.69 62.00 3cfk s THR 173 Cb -0.13 -3.45 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 3cfk s THR 173 CO -0.07 0.30 0.69 -0.36 -0.69 0.00 0.00 174.62 174.49 3cfk s PHE 174 N 1.45 3.53 0.29 4.92 0.08 -0.30 -5.00 117.98 122.95 3cfk s PHE 174 Ca 0.07 1.25 -0.28 0.00 0.12 0.00 0.00 56.93 58.09 3cfk s PHE 174 Cb -0.15 -2.53 -0.14 0.00 -0.57 0.00 0.00 43.02 39.63 3cfk s PHE 174 CO 0.08 0.26 1.10 -2.30 -0.10 0.00 0.00 175.22 174.26 3cfk n PRO 175 N 0.29 1.56 -2.03 0.24 -0.02 -1.26 -4.53 135.00 129.24 3cfk n PRO 175 Ca -0.00 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.66 3cfk n PRO 175 Cb 0.52 -1.99 0.03 0.00 -0.02 0.00 0.00 33.50 32.04 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 -0.97 2.68 -0.00 3.55 0.00 -1.26 -4.81 121.76 120.94 3cfk s ALA 176 Ca 0.59 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.66 3cfk s ALA 176 Cb -0.68 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 3cfk s ALA 176 CO 0.60 -1.09 -0.18 0.08 0.00 0.00 0.00 175.76 175.16 3cfk s VAL 177 N -1.53 2.75 -0.32 0.00 1.01 0.53 -4.94 120.40 117.89 3cfk s VAL 177 Ca 0.74 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 3cfk s VAL 177 Cb -0.32 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3cfk s VAL 177 CO 0.36 0.47 0.45 -0.22 0.00 0.00 0.00 175.10 176.16 3cfk s LEU 178 N -1.04 4.26 0.58 3.92 2.96 -1.26 -1.24 118.68 126.86 3cfk s LEU 178 Ca 0.13 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3cfk s LEU 178 Cb -0.10 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 3cfk s LEU 178 CO 0.02 -0.36 0.93 -1.10 -1.32 0.00 0.00 176.35 174.52 3cfk s GLN 179 N 2.24 3.34 0.62 1.98 -0.21 -0.12 -4.95 119.66 122.56 3cfk s GLN 179 Ca 0.17 0.37 0.40 0.00 0.02 0.00 0.00 55.36 56.32 3cfk s GLN 179 Cb -0.16 -2.21 2.04 0.00 1.00 0.00 0.00 33.01 33.69 3cfk s GLN 179 CO 0.12 -0.54 2.24 0.66 -2.12 0.00 0.00 175.29 175.65 3cfk h SER 180 N -0.15 0.00 0.50 5.90 4.64 -1.98 -0.22 113.55 122.25 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 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3cfk h SER 180 CO 0.62 0.01 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 3cfk n SER 182 N -3.17 0.36 0.00 4.97 3.41 -1.26 -4.88 113.62 113.05 3cfk n SER 182 Ca -0.02 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3cfk n SER 182 Cb 0.15 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 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 -0.28 0.81 3.85 5.00 0.00 -0.09 -5.06 105.19 109.42 3cfk n GLY 183 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 3cfk n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfk s LEU 184 N 0.00 4.00 0.41 0.99 1.43 -1.25 -4.85 118.68 119.41 3cfk s LEU 184 Ca 0.00 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 3cfk s LEU 184 Cb 0.00 -2.62 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 3cfk s LEU 184 CO 0.00 0.09 0.65 -0.31 0.23 0.00 0.00 176.35 177.02 3cfk s TYR 185 N -1.66 3.49 -0.12 0.29 2.02 0.15 -0.94 117.35 120.57 3cfk s TYR 185 Ca 0.32 0.51 -0.17 0.00 -0.37 0.00 0.00 57.07 57.35 3cfk s TYR 185 Cb -0.11 -2.10 0.04 0.00 -0.40 0.00 0.00 41.96 39.39 3cfk s TYR 185 CO 0.25 -0.09 0.45 0.45 -1.57 0.00 0.00 175.55 175.04 3cfk s SER 186 N -4.09 -0.43 0.10 2.29 0.15 -0.37 -1.34 113.70 110.01 3cfk s SER 186 Ca 0.44 0.71 -0.13 0.00 0.70 0.00 0.00 55.95 57.67 3cfk s SER 186 Cb -0.10 0.76 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 3cfk s SER 186 CO 0.40 -0.27 0.32 -1.48 1.20 0.00 0.00 173.24 173.40 3cfk s LEU 187 N -0.26 0.80 0.08 3.45 0.05 -0.30 -0.35 118.68 122.15 3cfk s LEU 187 Ca -0.04 -0.40 0.07 0.00 0.05 0.00 0.00 54.13 53.80 3cfk s LEU 187 Cb -0.03 1.51 -0.03 0.00 -2.05 0.00 0.00 46.19 45.59 3cfk s LEU 187 CO 0.02 -0.78 -0.17 -0.94 -0.55 0.00 0.00 176.35 173.93 3cfk s SER 188 N -2.70 2.08 -0.04 1.48 1.04 -1.26 -0.18 113.70 114.10 3cfk s SER 188 Ca 0.02 -0.63 0.04 0.00 0.48 0.00 0.00 55.95 55.86 3cfk s SER 188 Cb 0.02 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3cfk s SER 188 CO -0.10 0.00 -0.15 -0.55 0.98 0.00 0.00 173.24 173.42 3cfk s SER 189 N -1.73 1.94 0.14 7.02 0.15 -0.42 -1.15 113.70 119.64 3cfk s SER 189 Ca 0.02 -0.32 0.06 0.00 0.70 0.00 0.00 55.95 56.41 3cfk s SER 189 Cb -0.10 -0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 63.58 3cfk s SER 189 CO 0.03 0.12 -0.13 0.68 1.20 0.00 0.00 173.24 175.13 3cfk s VAL 190 N 0.17 1.35 -0.05 4.45 -7.23 0.57 -0.69 120.40 118.97 3cfk s VAL 190 Ca -0.06 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3cfk s VAL 190 Cb -0.12 -1.64 0.00 0.00 0.56 0.00 0.00 36.38 35.19 3cfk s VAL 190 CO 0.02 -0.49 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.50 3cfk s VAL 191 N -2.41 1.19 -0.04 1.32 1.01 0.14 -1.12 120.40 120.48 3cfk s VAL 191 Ca 0.12 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3cfk s VAL 191 Cb -0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 3cfk s VAL 191 CO 0.03 0.36 -0.06 0.42 0.00 0.00 0.00 175.10 175.85 3cfk s THR 192 N 0.33 3.77 0.05 3.92 -4.23 -0.82 -1.09 115.64 117.56 3cfk s THR 192 Ca -0.08 -0.57 0.02 0.00 -1.18 0.00 0.00 61.69 59.88 3cfk s THR 192 Cb -0.13 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 3cfk s THR 192 CO 0.03 0.52 -0.07 0.68 -0.54 0.00 0.00 174.62 175.23 3cfk s VAL 193 N -0.90 0.52 0.21 2.29 -7.23 -0.14 -4.54 120.40 110.60 3cfk s VAL 193 Ca 0.15 -1.25 -0.32 0.00 -1.81 0.00 0.00 61.98 58.74 3cfk s VAL 193 Cb -0.11 -0.81 -0.13 0.00 0.56 0.00 0.00 36.38 35.89 3cfk s VAL 193 CO 0.04 -0.51 1.53 -2.65 -0.31 0.00 0.00 175.10 173.20 3cfk n PRO 194 N 1.15 2.20 -0.27 4.82 -0.02 -1.26 -0.16 135.00 141.46 3cfk n PRO 194 Ca -0.21 0.79 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 3cfk n PRO 194 Cb 0.56 -2.52 0.06 0.00 -0.02 0.00 0.00 33.50 31.57 3cfk n PRO 194 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cfk h SER 195 N 5.23 -1.00 0.31 2.55 0.02 -1.72 0.22 113.55 119.16 3cfk h SER 195 Ca -0.45 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3cfk h SER 195 Cb 1.26 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.36 3cfk h SER 195 CO 0.83 -0.28 0.00 -1.20 -1.14 0.00 0.00 176.83 175.04 3cfk n SER 196 N -5.48 0.29 -0.80 3.07 7.64 -1.26 -2.02 113.62 115.06 3cfk n SER 196 Ca 0.09 0.60 0.11 0.00 1.01 0.00 0.00 58.87 60.67 3cfk n SER 196 Cb 0.39 -0.65 0.29 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.86 2.40 0.32 6.43 3.41 0.07 -4.67 113.62 119.72 3cfk n SER 197 Ca 0.01 -1.85 -0.18 0.00 -0.26 0.00 0.00 58.87 56.59 3cfk n SER 197 Cb 0.11 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 63.79 3cfk n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3cfk h LEU 198 N 3.08 -1.08 0.00 1.04 5.85 -1.50 -1.67 115.31 121.03 3cfk h LEU 198 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3cfk h LEU 198 Cb 0.68 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3cfk h LEU 198 CO 0.00 -0.61 0.00 0.61 -0.34 0.00 0.00 178.44 178.10 3cfk n GLY 199 N -1.53 -0.51 0.20 3.75 0.00 -1.26 -3.82 105.19 102.03 3cfk n GLY 199 Ca -0.12 -0.09 0.09 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 0.55 -3.36 2.61 2.02 -1.62 -3.46 112.91 109.65 3cfk h THR 200 Ca 0.00 -1.36 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 3cfk h THR 200 Cb 0.01 1.95 -0.10 0.00 -1.74 0.00 0.00 68.15 68.27 3cfk h THR 200 CO 0.00 0.26 0.00 0.00 0.37 0.00 0.00 175.52 176.15 3cfk s GLN 203 N -3.43 1.42 0.17 6.66 -2.07 -1.25 -5.16 119.66 116.01 3cfk s GLN 203 Ca 0.02 -0.95 -0.20 0.00 -1.82 0.00 0.00 55.36 52.41 3cfk s GLN 203 Cb 0.09 0.51 -0.08 0.00 -1.09 0.00 0.00 33.01 32.44 3cfk s GLN 203 CO 0.66 -0.60 0.69 0.99 -1.32 0.00 0.00 175.29 175.71 3cfk s THR 205 N -3.90 4.59 -0.17 3.63 2.01 -1.26 -5.04 115.64 115.49 3cfk s THR 205 Ca 0.12 1.31 0.01 0.00 0.31 0.00 0.00 61.69 63.44 3cfk s THR 205 Cb -0.01 -3.91 0.02 0.00 0.01 0.00 0.00 72.50 68.61 3cfk s THR 205 CO -0.00 0.35 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.79 3cfk s TYR 206 N -1.35 2.63 -0.12 4.92 2.02 -1.26 -4.95 117.35 119.22 3cfk s TYR 206 Ca 0.38 -1.56 0.00 0.00 -0.37 0.00 0.00 57.07 55.52 3cfk s TYR 206 Cb -0.18 -1.83 0.02 0.00 -0.40 0.00 0.00 41.96 39.57 3cfk s TYR 206 CO 0.21 -0.77 -0.10 0.42 -1.57 0.00 0.00 175.55 173.74 3cfk s ILE 207 N 1.34 1.25 -0.12 2.71 1.01 -1.26 -1.13 121.20 125.00 3cfk s ILE 207 Ca 0.04 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.08 3cfk s ILE 207 Cb -0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 3cfk s ILE 207 CO -0.12 0.40 0.46 0.00 0.00 0.00 0.00 174.94 175.68 3cfk s ASN 209 N 0.56 5.59 -0.17 0.00 -0.87 0.11 -1.53 114.94 118.63 3cfk s ASN 209 Ca 0.25 -0.08 0.01 0.00 -1.57 0.00 0.00 52.86 51.47 3cfk s ASN 209 Cb -0.15 -2.01 0.03 0.00 -0.02 0.00 0.00 41.25 39.09 3cfk s ASN 209 CO 0.10 -0.01 -0.14 -0.69 -2.57 0.00 0.00 177.10 173.79 3cfk s VAL 210 N 1.47 1.69 -0.06 1.60 1.01 0.59 -1.14 120.40 125.56 3cfk s VAL 210 Ca 0.06 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3cfk s VAL 210 Cb -0.15 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3cfk s VAL 210 CO 0.06 0.41 -0.16 0.21 0.00 0.00 0.00 175.10 175.62 3cfk s ASN 211 N 1.43 3.86 -0.36 3.32 2.47 -0.62 -0.62 114.94 124.42 3cfk s ASN 211 Ca 0.04 -0.27 -0.00 0.00 0.42 0.00 0.00 52.86 53.05 3cfk s ASN 211 Cb -0.14 -0.94 0.12 0.00 -1.45 0.00 0.00 41.25 38.85 3cfk s ASN 211 CO -0.11 0.30 0.18 -2.28 -3.72 0.00 0.00 177.10 171.48 3cfk s HIS 212 N -0.49 1.36 0.21 0.43 5.65 0.55 -1.95 115.29 121.05 3cfk s HIS 212 Ca 0.06 -1.82 -0.09 0.00 0.25 0.00 0.00 55.06 53.45 3cfk s HIS 212 Cb -0.12 -1.45 0.19 0.00 -1.18 0.00 0.00 32.58 30.02 3cfk s HIS 212 CO 0.02 -0.83 1.87 0.87 -0.65 0.00 0.00 174.74 176.01 3cfk h LYS 213 N 7.40 0.94 -0.21 2.88 1.57 -1.82 -2.08 116.57 125.25 3cfk h LYS 213 Ca -0.05 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3cfk h LYS 213 Cb 0.97 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 3cfk h LYS 213 CO 0.41 0.62 0.19 -1.35 -0.57 0.00 0.00 179.45 178.76 3cfk h PRO 214 N 0.97 0.00 -0.26 3.15 0.11 -1.92 -1.73 132.00 132.32 3cfk h PRO 214 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3cfk h PRO 214 Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 3cfk h PRO 214 CO -0.09 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.57 3cfk n SER 215 N -4.03 2.68 -4.09 -2.05 3.41 -1.02 -4.96 113.62 103.56 3cfk n SER 215 Ca 0.02 -1.99 -0.33 0.00 -0.26 0.00 0.00 58.87 56.31 3cfk n SER 215 Cb 0.32 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.25 -3.60 -4.61 4.04 3.02 -0.65 -4.88 115.26 108.83 3cfk n ASN 216 Ca 0.09 -0.92 -0.38 0.00 -0.03 0.00 0.00 54.58 53.33 3cfk n ASN 216 Cb 0.38 -3.21 -0.10 0.00 -0.61 0.00 0.00 39.78 36.24 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 -3.35 5.29 -0.10 3.41 2.01 -0.93 -4.98 115.64 116.99 3cfk s THR 217 Ca 0.65 0.27 0.04 0.00 0.31 0.00 0.00 61.69 62.95 3cfk s THR 217 Cb -0.34 -3.57 -0.00 0.00 0.01 0.00 0.00 72.50 68.60 3cfk s THR 217 CO 0.89 0.24 -0.22 -0.54 -0.69 0.00 0.00 174.62 174.30 3cfk s LYS 218 N 1.71 3.02 -0.02 4.92 1.02 -1.26 -0.33 119.74 128.81 3cfk s LYS 218 Ca 0.09 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.24 3cfk s LYS 218 Cb -0.16 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.84 3cfk s LYS 218 CO 0.10 0.22 -0.00 0.08 -0.92 0.00 0.00 175.35 174.83 3cfk s VAL 219 N 0.25 0.14 -0.26 3.17 1.01 0.20 -5.00 120.40 119.91 3cfk s VAL 219 Ca -0.15 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 3cfk s VAL 219 Cb -0.17 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.03 3cfk s VAL 219 CO 0.08 0.10 -0.02 -1.81 0.00 0.00 0.00 175.10 173.45 3cfk s ASP 220 N 0.66 4.57 -0.22 3.32 1.01 -1.26 -0.30 116.67 124.45 3cfk s ASP 220 Ca -0.06 -0.83 -0.02 0.00 0.71 0.00 0.00 52.55 52.35 3cfk s ASP 220 Cb -0.09 -1.73 0.01 0.00 1.01 0.00 0.00 42.92 42.12 3cfk s ASP 220 CO -0.01 -0.15 -0.09 -0.75 0.21 0.00 0.00 175.17 174.38 3cfk s LYS 221 N 1.38 3.08 0.01 8.23 2.47 -0.58 -4.97 119.74 129.35 3cfk s LYS 221 Ca 0.01 -0.81 -0.30 0.00 -1.56 0.00 0.00 55.97 53.31 3cfk s LYS 221 Cb -0.17 -2.90 -0.04 0.00 -1.46 0.00 0.00 37.83 33.27 3cfk s LYS 221 CO -0.02 -0.28 1.06 0.21 0.16 0.00 0.00 175.35 176.47 3cfk s LYS 222 N 1.38 4.50 -0.45 4.03 2.20 -1.26 -1.92 119.74 128.22 3cfk s LYS 222 Ca 0.03 1.53 -0.08 0.00 -0.36 0.00 0.00 55.97 57.09 3cfk s LYS 222 Cb -0.15 -3.44 0.11 0.00 -1.51 0.00 0.00 37.83 32.84 3cfk s LYS 222 CO -0.06 -0.15 0.30 0.08 -0.36 0.00 0.00 175.35 175.16 3cfk s VAL 223 N 1.16 4.08 -0.16 4.02 1.01 -0.28 -4.95 120.40 125.27 3cfk s VAL 223 Ca 0.54 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.69 3cfk s VAL 223 Cb -0.23 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 3cfk s VAL 223 CO 0.27 -0.68 0.21 -1.61 0.00 0.00 0.00 175.10 173.29 3cfk s GLU 226 N 1.35 4.09 0.08 2.72 2.02 -1.26 -4.51 118.70 123.19 3cfk s GLU 226 Ca 0.05 -0.04 -0.37 0.00 0.02 0.00 0.00 54.97 54.63 3cfk s GLU 226 Cb -0.25 -3.38 -0.17 0.00 0.10 0.00 0.00 34.13 30.43 3cfk s GLU 226 CO -0.00 0.37 1.25 -2.30 0.02 0.00 0.00 175.26 174.60 3cfk n PRO 227 N 3.22 0.91 0.00 0.39 -0.02 -1.26 -4.49 135.00 133.75 3cfk n PRO 227 Ca -0.15 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3cfk n PRO 227 Cb 0.52 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3cfk n PRO 227 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11