#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cfj s VAL 2 N 0.00 3.36 -0.03 6.31 1.01 -1.26 -4.03 120.40 125.76 3cfj s VAL 2 Ca 0.00 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.59 3cfj s VAL 2 Cb 0.00 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3cfj s VAL 2 CO 0.00 -0.03 -0.10 -0.54 0.00 0.00 0.00 175.10 174.43 3cfj s LYS 3 N 3.56 1.07 -0.31 2.72 1.02 -0.24 -5.00 119.74 122.55 3cfj s LYS 3 Ca 0.75 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 56.39 3cfj s LYS 3 Cb -0.36 -0.98 0.10 0.00 -0.52 0.00 0.00 37.83 36.07 3cfj s LYS 3 CO 0.31 0.12 0.11 -0.51 -0.92 0.00 0.00 175.35 174.46 3cfj s LEU 4 N 0.22 1.81 -0.30 3.17 1.43 -1.26 -1.77 118.68 121.99 3cfj s LEU 4 Ca -0.04 -1.58 -0.11 0.00 -1.03 0.00 0.00 54.13 51.37 3cfj s LEU 4 Cb -0.09 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.36 3cfj s LEU 4 CO 0.01 -0.42 0.18 -0.76 0.23 0.00 0.00 176.35 175.59 3cfj s LEU 5 N 1.70 4.10 0.34 1.79 1.43 -0.71 -4.19 118.68 123.14 3cfj s LEU 5 Ca 0.10 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3cfj s LEU 5 Cb -0.17 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 3cfj s LEU 5 CO -0.27 -0.13 0.61 -1.61 0.23 0.00 0.00 176.35 175.17 3cfj s GLU 6 N 1.69 3.60 0.32 1.70 8.01 -1.26 -1.29 118.70 131.48 3cfj s GLU 6 Ca 0.06 0.00 -0.17 0.00 0.01 0.00 0.00 54.97 54.87 3cfj s GLU 6 Cb -0.16 -2.59 0.03 0.00 -4.31 0.00 0.00 34.13 27.10 3cfj s GLU 6 CO 0.09 0.12 0.70 -1.54 0.01 0.00 0.00 175.26 174.63 3cfj s SER 7 N -3.49 -0.05 0.00 -0.19 1.04 -0.28 -4.88 113.70 105.84 3cfj s SER 7 Ca 0.44 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3cfj s SER 7 Cb -0.10 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.77 3cfj s SER 7 CO 0.34 -1.45 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3cfj n GLY 8 N -0.49 0.45 0.48 7.32 0.00 -1.26 -1.35 105.19 110.34 3cfj n GLY 8 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 3cfj n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 9 N -1.60 -1.43 0.00 -0.02 0.00 -1.26 -4.71 105.19 96.17 3cfj n GLY 9 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 3cfj n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 10 N 3.45 0.62 3.72 -0.02 0.00 0.19 -4.96 105.19 108.20 3cfj n GLY 10 Ca 0.02 -2.18 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 3cfj n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3cfj s LEU 11 N 0.00 4.37 0.01 0.99 0.20 -1.26 -2.05 118.68 120.93 3cfj s LEU 11 Ca 0.00 1.40 0.05 0.00 0.69 0.00 0.00 54.13 56.27 3cfj s LEU 11 Cb 0.00 -3.28 -0.02 0.00 -0.43 0.00 0.00 46.19 42.47 3cfj s LEU 11 CO 0.00 -0.13 -0.15 0.00 -0.29 0.00 0.00 176.35 175.78 3cfj s ALA 12 N 0.67 1.27 0.31 5.97 0.00 -0.48 -4.97 121.76 124.52 3cfj s ALA 12 Ca 0.42 -0.75 -0.26 0.00 0.00 0.00 0.00 51.96 51.37 3cfj s ALA 12 Cb -0.19 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.56 3cfj s ALA 12 CO 0.22 0.28 0.93 -0.65 0.00 0.00 0.00 175.76 176.55 3cfj s GLN 13 N -0.72 4.60 0.32 0.00 -0.21 -1.26 -2.02 119.66 120.37 3cfj s GLN 13 Ca 0.04 1.32 -0.28 0.00 0.02 0.00 0.00 55.36 56.46 3cfj s GLN 13 Cb -0.07 -2.86 -0.13 0.00 1.00 0.00 0.00 33.01 30.96 3cfj s GLN 13 CO 0.00 0.31 1.21 -2.30 -2.12 0.00 0.00 175.29 172.39 3cfj n PRO 14 N 0.67 1.88 0.00 2.91 -0.02 -1.26 -1.30 135.00 137.89 3cfj n PRO 14 Ca 0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3cfj n PRO 14 Cb 0.50 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 3cfj n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfj n GLY 15 N 0.96 2.72 3.70 -1.23 0.00 0.23 -4.90 105.19 106.67 3cfj n GLY 15 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 3cfj n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 16 N -2.00 -1.84 3.38 -0.02 0.00 -0.42 -4.10 105.19 100.19 3cfj n GLY 16 Ca 0.00 -1.65 -0.19 0.00 0.00 0.00 0.00 46.02 44.17 3cfj n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cfj s SER 17 N -5.42 2.52 -0.13 1.61 1.04 -1.26 -1.89 113.70 110.17 3cfj s SER 17 Ca 0.73 -1.13 -0.20 0.00 0.48 0.00 0.00 55.95 55.83 3cfj s SER 17 Cb -0.03 -0.12 0.05 0.00 0.10 0.00 0.00 66.02 66.01 3cfj s SER 17 CO 0.52 -0.31 0.50 -0.22 0.98 0.00 0.00 173.24 174.71 3cfj s LEU 18 N -3.37 0.09 -0.28 2.42 2.96 0.49 -4.99 118.68 116.01 3cfj s LEU 18 Ca 0.26 0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 54.91 3cfj s LEU 18 Cb 0.02 1.79 0.04 0.00 0.50 0.00 0.00 46.19 48.55 3cfj s LEU 18 CO 0.09 -0.32 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.04 3cfj s LYS 19 N -0.36 2.66 0.18 1.98 2.20 -1.26 0.25 119.74 125.39 3cfj s LYS 19 Ca -0.05 -1.11 -0.08 0.00 -0.36 0.00 0.00 55.97 54.37 3cfj s LYS 19 Cb -0.03 -3.13 -0.06 0.00 -1.51 0.00 0.00 37.83 33.09 3cfj s LYS 19 CO 0.03 -0.52 0.47 -0.51 -0.36 0.00 0.00 175.35 174.46 3cfj s LEU 20 N 1.31 4.23 0.06 5.43 1.43 0.17 -4.58 118.68 126.73 3cfj s LEU 20 Ca -0.02 0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3cfj s LEU 20 Cb -0.18 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 3cfj s LEU 20 CO -0.02 0.01 -0.04 -0.94 0.23 0.00 0.00 176.35 175.59 3cfj s SER 21 N -2.30 0.62 -0.11 2.29 1.04 -0.46 -0.68 113.70 114.11 3cfj s SER 21 Ca 0.43 -0.97 -0.05 0.00 0.48 0.00 0.00 55.95 55.85 3cfj s SER 21 Cb -0.12 0.17 0.06 0.00 0.10 0.00 0.00 66.02 66.23 3cfj s SER 21 CO 0.22 -0.55 0.24 0.00 0.98 0.00 0.00 173.24 174.13 3cfj s ALA 23 N 2.16 3.55 0.09 0.00 0.00 -0.41 -0.11 121.76 127.04 3cfj s ALA 23 Ca -0.01 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.31 3cfj s ALA 23 Cb -0.12 -1.94 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 3cfj s ALA 23 CO -0.08 0.30 -0.11 0.00 0.00 0.00 0.00 175.76 175.87 3cfj s ALA 24 N -0.03 2.90 0.18 0.00 0.00 0.10 -1.74 121.76 123.16 3cfj s ALA 24 Ca 0.08 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.64 3cfj s ALA 24 Cb -0.12 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.16 3cfj s ALA 24 CO 0.01 0.63 0.47 -1.54 0.00 0.00 0.00 175.76 175.32 3cfj s SER 25 N -2.09 -0.22 0.00 0.00 1.04 -0.73 -4.80 113.70 106.90 3cfj s SER 25 Ca 0.20 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.14 3cfj s SER 25 Cb -0.11 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.55 3cfj s SER 25 CO 0.12 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3cfj n GLY 26 N -0.30 0.80 3.48 7.32 0.00 -1.26 -1.08 105.19 114.15 3cfj n GLY 26 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3cfj n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cfj s PHE 27 N -3.05 0.37 -1.33 1.61 -0.71 -1.26 -4.56 117.98 109.04 3cfj s PHE 27 Ca 0.00 -0.72 -0.17 0.00 -1.04 0.00 0.00 56.93 55.00 3cfj s PHE 27 Cb 0.00 0.09 0.04 0.00 -1.21 0.00 0.00 43.02 41.94 3cfj s PHE 27 CO 0.00 -0.88 1.96 -3.47 -1.34 0.00 0.00 175.22 171.49 3cfj n ASP 28 N -0.32 4.28 -0.35 1.98 -0.08 -1.26 -4.83 116.55 115.97 3cfj n ASP 28 Ca -0.04 -2.86 0.24 0.00 -1.51 0.00 0.00 54.79 50.62 3cfj n ASP 28 Cb 0.63 -1.68 0.50 0.00 2.34 0.00 0.00 41.12 42.90 3cfj n ASP 28 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3cfj h PHE 29 N 7.06 0.80 -0.94 -0.67 3.57 -1.95 0.27 116.94 125.07 3cfj h PHE 29 Ca 0.49 0.03 0.27 0.00 3.53 0.00 0.00 57.97 62.28 3cfj h PHE 29 Cb 0.77 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 3cfj h PHE 29 CO 1.42 -0.06 0.67 0.00 -2.23 0.00 0.00 178.31 178.11 3cfj h ARG 30 N 0.36 0.05 -0.00 1.11 3.08 -1.88 -2.72 114.38 114.38 3cfj h ARG 30 Ca 0.69 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.74 3cfj h ARG 30 Cb 1.68 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.72 3cfj h ARG 30 CO -0.46 0.03 -0.67 0.54 -1.07 0.00 0.00 179.97 178.35 3cfj n ARG 31 N -4.29 0.10 -4.53 0.04 1.74 0.08 -4.69 116.66 105.12 3cfj n ARG 31 Ca 0.20 -0.07 -0.34 0.00 -0.77 0.00 0.00 57.85 56.86 3cfj n ARG 31 Cb 0.97 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.81 3cfj n ARG 31 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3cfj s TYR 32 N -2.95 3.02 0.46 -1.55 1.51 -1.03 -4.87 117.35 111.95 3cfj s TYR 32 Ca 0.11 0.06 -0.24 0.00 -1.01 0.00 0.00 57.07 55.99 3cfj s TYR 32 Cb 0.17 -1.75 -0.07 0.00 -0.11 0.00 0.00 41.96 40.19 3cfj s TYR 32 CO 0.75 0.35 1.31 -1.58 -1.11 0.00 0.00 175.55 175.27 3cfj s TRP 33 N -0.75 2.62 0.11 2.71 0.52 -1.26 -4.16 118.94 118.74 3cfj s TRP 33 Ca 0.11 1.40 0.08 0.00 0.02 0.00 0.00 56.10 57.72 3cfj s TRP 33 Cb -0.11 -3.69 -0.04 0.00 -1.15 0.00 0.00 33.47 28.48 3cfj s TRP 33 CO 0.02 -2.34 -0.20 -1.64 0.02 0.00 0.00 176.95 172.81 3cfj s MET 34 N -2.55 1.13 0.02 4.98 -1.94 -0.56 -1.94 119.30 118.44 3cfj s MET 34 Ca 0.63 -1.20 0.03 0.00 -1.71 0.00 0.00 55.69 53.44 3cfj s MET 34 Cb -0.38 -1.34 -0.01 0.00 2.01 0.00 0.00 34.83 35.11 3cfj s MET 34 CO 0.47 0.30 -0.09 0.99 -0.01 0.00 0.00 175.02 176.68 3cfj s THR 35 N -1.35 0.73 -0.16 2.05 2.01 0.72 -0.53 115.64 119.13 3cfj s THR 35 Ca 0.08 -0.65 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 3cfj s THR 35 Cb -0.09 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.72 3cfj s THR 35 CO 0.05 0.02 0.01 0.26 -0.69 0.00 0.00 174.62 174.26 3cfj s TRP 36 N -0.59 3.13 0.07 4.92 0.52 -0.73 -0.15 118.94 126.11 3cfj s TRP 36 Ca 0.00 -0.10 0.06 0.00 0.02 0.00 0.00 56.10 56.09 3cfj s TRP 36 Cb -0.06 -1.98 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 3cfj s TRP 36 CO 0.00 0.10 -0.17 0.08 0.02 0.00 0.00 176.95 176.98 3cfj s VAL 37 N 0.21 1.37 0.14 4.03 1.01 -0.51 -0.77 120.40 125.88 3cfj s VAL 37 Ca 0.01 -1.26 0.05 0.00 0.00 0.00 0.00 61.98 60.77 3cfj s VAL 37 Cb -0.13 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3cfj s VAL 37 CO 0.02 -0.04 -0.11 0.00 0.00 0.00 0.00 175.10 174.97 3cfj s ARG 38 N -1.51 1.03 -0.16 2.72 1.70 0.48 0.96 118.95 124.17 3cfj s ARG 38 Ca 0.03 -1.37 -0.04 0.00 -0.47 0.00 0.00 55.73 53.88 3cfj s ARG 38 Cb -0.09 -0.69 0.07 0.00 -0.57 0.00 0.00 34.95 33.67 3cfj s ARG 38 CO 0.02 0.10 0.15 -1.14 -1.08 0.00 0.00 175.30 173.36 3cfj s GLN 39 N -3.37 0.10 0.58 3.89 0.74 -0.06 -1.01 119.66 120.53 3cfj s GLN 39 Ca 0.14 0.16 -0.17 0.00 0.05 0.00 0.00 55.36 55.54 3cfj s GLN 39 Cb -0.00 -1.25 -0.04 0.00 1.10 0.00 0.00 33.01 32.82 3cfj s GLN 39 CO 0.01 -0.58 1.07 0.00 -0.55 0.00 0.00 175.29 175.24 3cfj s ALA 40 N 2.24 2.72 0.17 1.58 0.00 -1.26 -0.72 121.76 126.49 3cfj s ALA 40 Ca 0.04 0.50 -0.33 0.00 0.00 0.00 0.00 51.96 52.17 3cfj s ALA 40 Cb -0.15 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 19.58 3cfj s ALA 40 CO -0.09 -0.77 1.64 -2.30 0.00 0.00 0.00 175.76 174.23 3cfj n PRO 41 N -1.80 2.36 -0.86 0.00 -0.02 -1.26 -1.21 135.00 132.21 3cfj n PRO 41 Ca 0.09 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3cfj n PRO 41 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 3cfj n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cfj n GLY 42 N 3.63 0.43 2.64 -1.23 0.00 -1.26 -4.99 105.19 104.41 3cfj n GLY 42 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3cfj n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cfj n LYS 43 N -1.67 0.99 -0.59 1.61 5.02 -0.35 -5.15 118.16 118.02 3cfj n LYS 43 Ca 0.00 -2.50 -0.04 0.00 -2.02 0.00 0.00 58.31 53.75 3cfj n LYS 43 Cb 0.09 0.42 0.03 0.00 -0.02 0.00 0.00 35.03 35.55 3cfj n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cfj n GLY 44 N 0.47 -0.27 3.88 0.72 0.00 -1.26 -4.67 105.19 104.05 3cfj n GLY 44 Ca -0.06 -1.81 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 3cfj n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfj s LEU 45 N 0.00 3.93 -0.10 0.99 1.43 -1.26 -4.25 118.68 119.42 3cfj s LEU 45 Ca 0.11 1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 54.22 3cfj s LEU 45 Cb -0.00 -3.90 0.05 0.00 0.03 0.00 0.00 46.19 42.37 3cfj s LEU 45 CO 0.08 -0.31 0.21 -0.70 0.23 0.00 0.00 176.35 175.86 3cfj s GLU 46 N -3.58 0.10 0.01 1.70 2.12 -0.18 -5.00 118.70 113.88 3cfj s GLU 46 Ca 0.50 0.63 -0.30 0.00 0.36 0.00 0.00 54.97 56.15 3cfj s GLU 46 Cb -0.10 -0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.09 3cfj s GLU 46 CO 0.28 -0.27 1.24 -0.46 -0.54 0.00 0.00 175.26 175.50 3cfj s TRP 47 N 2.17 3.26 -0.19 5.30 -0.00 -1.26 -0.38 118.94 127.84 3cfj s TRP 47 Ca 0.00 1.19 -0.16 0.00 -0.00 0.00 0.00 56.10 57.13 3cfj s TRP 47 Cb -0.12 -3.46 -0.12 0.00 -0.00 0.00 0.00 33.47 29.77 3cfj s TRP 47 CO -0.07 -1.50 0.01 -0.89 -0.00 0.00 0.00 176.95 174.50 3cfj n ILE 48 N 4.27 1.49 -0.24 5.86 5.41 0.05 -4.51 119.36 131.68 3cfj n ILE 48 Ca 0.10 0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.91 3cfj n ILE 48 Cb 0.46 -2.18 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 3cfj n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3cfj n GLY 49 N 1.50 -1.29 3.27 7.39 0.00 -1.16 -0.26 105.19 114.63 3cfj n GLY 49 Ca -0.23 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.58 3cfj n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cfj s GLU 50 N -1.86 1.11 -0.02 1.61 2.02 -0.01 -1.77 118.70 119.78 3cfj s GLU 50 Ca 0.00 -1.33 0.01 0.00 0.02 0.00 0.00 54.97 53.67 3cfj s GLU 50 Cb 0.00 -0.98 0.01 0.00 0.10 0.00 0.00 34.13 33.26 3cfj s GLU 50 CO 0.00 0.18 -0.02 -1.50 0.02 0.00 0.00 175.26 173.94 3cfj s ILE 51 N -2.32 0.28 0.77 -1.63 2.07 0.31 -2.09 121.20 118.58 3cfj s ILE 51 Ca 0.12 -0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.16 3cfj s ILE 51 Cb -0.04 -0.30 0.06 0.00 0.13 0.00 0.00 42.46 42.31 3cfj s ILE 51 CO 0.04 0.12 1.22 -3.20 -1.91 0.00 0.00 174.94 171.21 3cfj n ASN 52 N 3.55 1.28 -0.32 4.50 5.15 -0.24 -1.50 115.26 127.68 3cfj n ASN 52 Ca -0.20 0.65 0.17 0.00 -0.60 0.00 0.00 54.58 54.61 3cfj n ASN 52 Cb 0.54 -1.52 0.37 0.00 -0.53 0.00 0.00 39.78 38.65 3cfj n ASN 52 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3cfj h PRO 52 N -0.52 0.32 -0.72 1.20 0.11 -1.84 -2.63 132.00 127.92 3cfj h PRO 52 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3cfj h PRO 52 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3cfj h PRO 52 CO 0.48 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3cfj n ASP 53 N -5.09 3.93 -0.11 -2.05 5.68 -1.26 -4.94 116.55 112.70 3cfj n ASP 53 Ca 0.26 -2.00 -0.01 0.00 -0.50 0.00 0.00 54.79 52.53 3cfj n ASP 53 Cb 0.79 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 40.28 3cfj n ASP 53 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3cfj n SER 54 N 1.60 -5.12 0.17 -1.12 7.64 -0.99 -4.84 113.62 110.96 3cfj n SER 54 Ca 0.24 0.04 0.10 0.00 1.01 0.00 0.00 58.87 60.26 3cfj n SER 54 Cb 0.62 -2.75 0.09 0.00 -1.01 0.00 0.00 64.21 61.16 3cfj n SER 54 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3cfj h ARG 55 N 0.26 0.00 -4.74 1.43 2.47 -1.93 -3.43 114.38 108.44 3cfj h ARG 55 Ca -0.03 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.04 3cfj h ARG 55 Cb 0.74 0.00 -0.37 0.00 -1.65 0.00 0.00 29.97 28.69 3cfj h ARG 55 CO 0.04 0.07 -0.81 0.99 0.56 0.00 0.00 179.97 180.83 3cfj s THR 56 N -3.21 1.93 -0.15 2.04 2.01 -1.26 -5.05 115.64 111.95 3cfj s THR 56 Ca 0.04 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 60.69 3cfj s THR 56 Cb 0.07 -2.03 0.03 0.00 0.01 0.00 0.00 72.50 70.57 3cfj s THR 56 CO 0.72 0.06 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.96 3cfj s ILE 57 N 1.23 1.46 -0.10 1.82 1.01 -1.26 -1.08 121.20 124.29 3cfj s ILE 57 Ca -0.05 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 3cfj s ILE 57 Cb -0.18 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 3cfj s ILE 57 CO -0.07 0.40 -0.02 0.20 0.00 0.00 0.00 174.94 175.45 3cfj s ASN 58 N 1.53 5.05 0.12 3.58 0.01 -0.89 -4.97 114.94 119.36 3cfj s ASN 58 Ca 0.04 0.06 0.08 0.00 -0.71 0.00 0.00 52.86 52.33 3cfj s ASN 58 Cb -0.13 -1.47 -0.04 0.00 0.41 0.00 0.00 41.25 40.02 3cfj s ASN 58 CO -0.10 0.33 -0.18 -0.31 -1.51 0.00 0.00 177.10 175.33 3cfj s TYR 59 N -0.61 1.68 0.10 2.20 2.02 -1.26 -0.83 117.35 120.64 3cfj s TYR 59 Ca 0.10 -0.46 -0.32 0.00 -0.37 0.00 0.00 57.07 56.02 3cfj s TYR 59 Cb -0.12 -0.89 -0.12 0.00 -0.40 0.00 0.00 41.96 40.44 3cfj s TYR 59 CO 0.02 0.21 1.80 -0.12 -1.57 0.00 0.00 175.55 175.89 3cfj n MET 60 N 0.82 2.57 0.23 -0.62 0.00 0.64 -4.80 117.12 115.96 3cfj n MET 60 Ca -0.17 0.94 0.15 0.00 -0.00 0.00 0.00 57.70 58.62 3cfj n MET 60 Cb 0.55 -2.80 0.82 0.00 0.00 0.00 0.00 33.22 31.79 3cfj n MET 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 3cfj h PRO 61 N 8.13 0.00 -0.53 2.12 0.11 -1.95 0.35 132.00 140.23 3cfj h PRO 61 Ca -0.46 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 3cfj h PRO 61 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 3cfj h PRO 61 CO 0.94 0.00 -0.01 1.03 -0.21 0.00 0.00 178.00 179.75 3cfj h SER 62 N 0.00 0.93 -0.58 -2.05 0.87 -1.99 -3.28 113.55 107.46 3cfj h SER 62 Ca 0.06 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3cfj h SER 62 Cb 0.31 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3cfj h SER 62 CO -0.00 1.01 0.00 0.18 -0.53 0.00 0.00 176.83 177.49 3cfj n LEU 63 N -4.27 3.39 -0.29 2.23 4.77 0.12 -4.64 117.00 118.31 3cfj n LEU 63 Ca 0.02 -1.70 0.12 0.00 -0.03 0.00 0.00 56.01 54.42 3cfj n LEU 63 Cb 0.33 -0.43 0.27 0.00 -2.33 0.00 0.00 43.42 41.26 3cfj n LEU 63 CO 0.43 0.77 0.93 0.50 -1.33 0.00 0.00 177.39 178.69 3cfj h LYS 64 N 3.44 0.20 -0.49 3.23 3.64 -1.59 -2.40 116.57 122.61 3cfj h LYS 64 Ca 0.00 -0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 3cfj h LYS 64 Cb 0.91 -0.05 -0.21 0.00 -0.41 0.00 0.00 32.23 32.48 3cfj h LYS 64 CO 0.05 0.13 -0.26 -0.25 -2.27 0.00 0.00 179.45 176.86 3cfj n ASP 65 N -5.23 3.62 0.00 4.20 9.92 -1.26 -4.41 116.55 123.38 3cfj n ASP 65 Ca 0.20 -3.80 0.00 0.00 -0.53 0.00 0.00 54.79 50.66 3cfj n ASP 65 Cb 0.65 -0.57 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 3cfj n ASP 65 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 3cfj n LYS 66 N -0.98 0.58 -4.63 -1.24 4.81 -1.03 -5.05 118.16 110.62 3cfj n LYS 66 Ca 0.38 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.49 3cfj n LYS 66 Cb 0.93 -0.59 -0.11 0.00 0.02 0.00 0.00 35.03 35.27 3cfj n LYS 66 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3cfj s PHE 67 N -1.19 2.83 -0.12 5.64 0.08 -0.93 -1.84 117.98 122.45 3cfj s PHE 67 Ca 0.00 -0.07 0.01 0.00 0.12 0.00 0.00 56.93 56.99 3cfj s PHE 67 Cb 0.00 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.84 3cfj s PHE 67 CO 0.00 0.31 -0.13 0.42 -0.10 0.00 0.00 175.22 175.71 3cfj s ILE 68 N -0.87 1.41 -0.16 0.64 1.01 -0.53 -4.85 121.20 117.86 3cfj s ILE 68 Ca 0.14 -0.57 -0.07 0.00 0.00 0.00 0.00 60.65 60.15 3cfj s ILE 68 Cb -0.11 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3cfj s ILE 68 CO 0.04 0.43 0.09 -0.63 0.00 0.00 0.00 174.94 174.87 3cfj s ILE 69 N 1.21 5.10 0.27 2.92 1.01 -1.26 -0.54 121.20 129.90 3cfj s ILE 69 Ca -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 3cfj s ILE 69 Cb -0.14 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 3cfj s ILE 69 CO -0.05 0.52 0.31 -0.94 0.00 0.00 0.00 174.94 174.79 3cfj s SER 70 N -0.20 0.55 0.12 3.58 1.04 -0.98 -5.02 113.70 112.79 3cfj s SER 70 Ca 0.09 -1.38 -0.15 0.00 0.48 0.00 0.00 55.95 54.99 3cfj s SER 70 Cb -0.12 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.55 3cfj s SER 70 CO 0.01 -1.05 0.37 0.00 0.98 0.00 0.00 173.24 173.55 3cfj s ARG 71 N -3.74 1.03 -0.32 4.02 1.70 -1.26 -0.60 118.95 119.78 3cfj s ARG 71 Ca 0.34 -0.74 -0.02 0.00 -0.47 0.00 0.00 55.73 54.84 3cfj s ARG 71 Cb 0.03 0.45 0.11 0.00 -0.57 0.00 0.00 34.95 34.97 3cfj s ARG 71 CO 0.16 -0.39 0.14 0.34 -1.08 0.00 0.00 175.30 174.46 3cfj s ASP 72 N -2.81 3.67 0.46 -2.89 -1.08 -0.21 -5.00 116.67 108.82 3cfj s ASP 72 Ca 0.03 -1.64 0.14 0.00 -0.52 0.00 0.00 52.55 50.57 3cfj s ASP 72 Cb 0.02 -0.61 1.07 0.00 -1.46 0.00 0.00 42.92 41.94 3cfj s ASP 72 CO -0.12 -0.40 2.04 0.78 0.52 0.00 0.00 175.17 177.99 3cfj h ASN 73 N 7.99 0.05 0.31 -0.34 4.21 -1.92 -1.81 115.58 124.06 3cfj h ASN 73 Ca -0.13 -0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.34 3cfj h ASN 73 Cb 1.00 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 38.18 3cfj h ASN 73 CO 0.43 0.15 -0.18 0.00 -1.29 0.00 0.00 177.43 176.54 3cfj h ALA 74 N 1.86 1.45 -0.40 -0.83 0.00 -1.95 -2.76 119.26 116.62 3cfj h ALA 74 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cfj h ALA 74 Cb 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3cfj h ALA 74 CO 0.01 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.12 3cfj n LYS 75 N -3.96 2.95 -4.30 0.00 5.02 -0.73 -4.98 118.16 112.16 3cfj n LYS 75 Ca -0.02 -2.32 -0.35 0.00 -2.02 0.00 0.00 58.31 53.59 3cfj n LYS 75 Cb 0.27 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.77 3cfj n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cfj n ASN 76 N 0.50 -1.44 -4.18 4.39 3.02 -0.90 -4.69 115.26 111.95 3cfj n ASN 76 Ca 0.16 -1.14 -0.17 0.00 -0.03 0.00 0.00 54.58 53.40 3cfj n ASN 76 Cb 0.57 -2.22 -0.11 0.00 -0.61 0.00 0.00 39.78 37.41 3cfj n ASN 76 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3cfj s SER 77 N -3.70 1.64 0.06 6.41 1.04 -0.96 0.03 113.70 118.21 3cfj s SER 77 Ca 0.48 -0.71 0.07 0.00 0.48 0.00 0.00 55.95 56.28 3cfj s SER 77 Cb -0.27 -0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.79 3cfj s SER 77 CO 0.97 -0.15 -0.20 -0.22 0.98 0.00 0.00 173.24 174.62 3cfj s LEU 78 N -2.08 2.21 0.07 2.42 2.96 0.84 -1.04 118.68 124.06 3cfj s LEU 78 Ca 0.02 -0.57 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 3cfj s LEU 78 Cb -0.07 -0.91 -0.03 0.00 0.50 0.00 0.00 46.19 45.68 3cfj s LEU 78 CO 0.02 0.12 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.71 3cfj s TYR 79 N -0.92 1.20 -0.08 5.38 2.02 0.23 -0.03 117.35 125.15 3cfj s TYR 79 Ca 0.07 -0.45 -0.02 0.00 -0.37 0.00 0.00 57.07 56.30 3cfj s TYR 79 Cb -0.09 -0.68 0.04 0.00 -0.40 0.00 0.00 41.96 40.83 3cfj s TYR 79 CO 0.02 0.05 0.03 -1.17 -1.57 0.00 0.00 175.55 172.92 3cfj s LEU 80 N -1.66 0.47 -0.30 -1.29 2.96 0.15 -2.33 118.68 116.68 3cfj s LEU 80 Ca -0.02 -0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 53.62 3cfj s LEU 80 Cb -0.10 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.22 3cfj s LEU 80 CO 0.02 -0.24 0.19 -1.58 -1.32 0.00 0.00 176.35 173.42 3cfj s GLN 81 N 2.04 3.77 -0.17 1.98 2.00 0.29 0.42 119.66 130.00 3cfj s GLN 81 Ca 0.04 -0.44 -0.07 0.00 -2.00 0.00 0.00 55.36 52.89 3cfj s GLN 81 Cb -0.13 -3.67 -0.04 0.00 0.80 0.00 0.00 33.01 29.97 3cfj s GLN 81 CO -0.05 -0.26 0.06 -0.51 -0.50 0.00 0.00 175.29 174.02 3cfj s LEU 82 N 1.73 3.82 0.31 3.68 1.43 0.14 -1.45 118.68 128.34 3cfj s LEU 82 Ca 0.07 0.10 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 3cfj s LEU 82 Cb -0.16 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 44.04 3cfj s LEU 82 CO 0.10 0.19 0.03 -0.94 0.23 0.00 0.00 176.35 175.96 3cfj s SER 82 N 0.25 2.47 -1.36 2.29 1.04 -0.77 -0.38 113.70 117.25 3cfj s SER 82 Ca 0.04 -1.32 -0.14 0.00 0.48 0.00 0.00 55.95 55.01 3cfj s SER 82 Cb -0.12 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 65.90 3cfj s SER 82 CO 0.00 -0.54 0.41 0.54 0.98 0.00 0.00 173.24 174.64 3cfj n ARG 82 N -0.65 -1.27 -2.11 4.02 1.74 -1.08 -4.84 116.66 112.46 3cfj n ARG 82 Ca -0.03 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.83 3cfj n ARG 82 Cb 0.66 -3.52 -0.03 0.00 -1.02 0.00 0.00 32.46 28.55 3cfj n ARG 82 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cfj s LEU 82 N -7.20 4.39 0.40 0.55 1.43 -0.79 -4.68 118.68 112.78 3cfj s LEU 82 Ca 0.22 2.50 0.04 0.00 -1.03 0.00 0.00 54.13 55.85 3cfj s LEU 82 Cb -0.11 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 3cfj s LEU 82 CO 0.95 -0.64 0.06 -0.13 0.23 0.00 0.00 176.35 176.83 3cfj s ARG 83 N 0.14 1.88 0.59 1.70 0.52 -1.26 0.77 118.95 123.29 3cfj s ARG 83 Ca 0.60 -2.11 0.37 0.00 -0.52 0.00 0.00 55.73 54.07 3cfj s ARG 83 Cb -0.39 -1.00 1.83 0.00 0.52 0.00 0.00 34.95 35.91 3cfj s ARG 83 CO 0.38 -0.29 2.17 0.66 0.02 0.00 0.00 175.30 178.23 3cfj h SER 84 N 1.83 0.00 0.09 0.23 4.64 -1.97 -0.57 113.55 117.80 3cfj h SER 84 Ca -0.40 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3cfj h SER 84 Cb 1.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3cfj h SER 84 CO 0.68 0.03 -0.02 -0.33 -0.87 0.00 0.00 176.83 176.31 3cfj h GLU 85 N 0.00 0.00 -0.01 4.77 3.07 -1.96 -2.54 114.58 117.91 3cfj h GLU 85 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3cfj h GLU 85 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3cfj h GLU 85 CO 0.00 0.02 -0.02 -0.25 -1.40 0.00 0.00 179.01 177.36 3cfj n ASP 86 N -3.61 1.14 -4.64 1.42 8.00 -0.22 -4.82 116.55 113.82 3cfj n ASP 86 Ca -0.03 -1.32 -0.43 0.00 0.71 0.00 0.00 54.79 53.73 3cfj n ASP 86 Cb 0.11 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 3cfj n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3cfj s SER 87 N -2.06 6.43 0.14 -2.24 0.01 -0.96 -4.86 113.70 110.16 3cfj s SER 87 Ca 0.38 1.83 -0.25 0.00 1.31 0.00 0.00 55.95 59.23 3cfj s SER 87 Cb 0.21 -2.53 0.08 0.00 0.21 0.00 0.00 66.02 63.98 3cfj s SER 87 CO 0.36 -1.19 1.03 0.00 0.41 0.00 0.00 173.24 173.86 3cfj s ALA 88 N 4.98 -1.72 0.08 1.44 0.00 -0.37 -4.49 121.76 121.69 3cfj s ALA 88 Ca 0.73 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.50 3cfj s ALA 88 Cb -0.28 0.65 -0.06 0.00 0.00 0.00 0.00 23.12 23.42 3cfj s ALA 88 CO 0.29 -1.05 0.71 -0.51 0.00 0.00 0.00 175.76 175.20 3cfj s LEU 89 N -3.12 4.51 -0.21 0.00 1.43 0.10 -1.03 118.68 120.37 3cfj s LEU 89 Ca 0.16 1.44 -0.02 0.00 -1.03 0.00 0.00 54.13 54.67 3cfj s LEU 89 Cb -0.01 -3.15 0.00 0.00 0.03 0.00 0.00 46.19 43.06 3cfj s LEU 89 CO 0.03 0.14 -0.09 -0.31 0.23 0.00 0.00 176.35 176.34 3cfj s TYR 90 N -0.61 2.90 -0.14 0.29 1.51 0.29 -0.88 117.35 120.71 3cfj s TYR 90 Ca 0.35 -1.14 -0.04 0.00 -1.01 0.00 0.00 57.07 55.23 3cfj s TYR 90 Cb -0.21 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 3cfj s TYR 90 CO 0.22 -0.62 -0.01 0.71 -1.11 0.00 0.00 175.55 174.75 3cfj s TYR 91 N 1.39 3.10 -0.15 2.71 2.02 0.27 -1.86 117.35 124.82 3cfj s TYR 91 Ca 0.05 -0.09 -0.21 0.00 -0.37 0.00 0.00 57.07 56.45 3cfj s TYR 91 Cb -0.14 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 3cfj s TYR 91 CO -0.06 0.14 0.65 0.00 -1.57 0.00 0.00 175.55 174.71 3cfj s VAL 93 N 1.52 0.41 -0.07 0.00 1.01 0.79 -0.06 120.40 124.00 3cfj s VAL 93 Ca 0.31 -0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3cfj s VAL 93 Cb -0.16 -0.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3cfj s VAL 93 CO 0.12 0.18 1.01 -0.60 0.00 0.00 0.00 175.10 175.81 3cfj s ARG 94 N 0.70 4.46 -0.27 2.72 6.06 0.26 -0.20 118.95 132.69 3cfj s ARG 94 Ca -0.08 1.41 -0.11 0.00 -2.50 0.00 0.00 55.73 54.45 3cfj s ARG 94 Cb -0.12 -3.51 -0.05 0.00 0.06 0.00 0.00 34.95 31.33 3cfj s ARG 94 CO -0.00 -0.23 0.17 -1.17 -2.50 0.00 0.00 175.30 171.57 3cfj s LEU 95 N 1.69 3.99 -0.31 -0.88 2.96 -0.82 -2.35 118.68 122.97 3cfj s LEU 95 Ca 0.50 0.00 -0.16 0.00 -0.22 0.00 0.00 54.13 54.24 3cfj s LEU 95 Cb -0.19 -2.10 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 3cfj s LEU 95 CO 0.21 -0.02 0.43 -0.62 -1.32 0.00 0.00 176.35 175.03 3cfj s ASP 96 N 1.59 6.28 0.20 3.68 2.15 0.49 -4.03 116.67 127.03 3cfj s ASP 96 Ca 0.07 0.11 0.05 0.00 0.43 0.00 0.00 52.55 53.21 3cfj s ASP 96 Cb -0.15 -2.23 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 3cfj s ASP 96 CO 0.09 -0.32 0.26 0.12 -0.17 0.00 0.00 175.17 175.15 3cfj s PHE 97 N 2.19 3.33 -0.30 -5.34 5.36 -1.26 -1.75 117.98 120.21 3cfj s PHE 97 Ca 0.16 0.00 -0.15 0.00 -0.96 0.00 0.00 56.93 55.99 3cfj s PHE 97 Cb -0.16 -1.55 0.18 0.00 -0.34 0.00 0.00 43.02 41.16 3cfj s PHE 97 CO 0.11 0.49 1.16 0.34 -1.46 0.00 0.00 175.22 175.86 3cfj s ASP 98 N -3.56 -0.07 0.12 6.13 -1.08 -1.26 -4.96 116.67 111.98 3cfj s ASP 98 Ca 0.33 -0.01 -0.13 0.00 -0.52 0.00 0.00 52.55 52.22 3cfj s ASP 98 Cb -0.10 0.59 -0.08 0.00 -1.46 0.00 0.00 42.92 41.87 3cfj s ASP 98 CO 0.27 -0.01 1.42 0.58 0.52 0.00 0.00 175.17 177.95 3cfj h VAL 99 N 3.61 1.29 -0.22 1.11 2.07 -1.98 -1.62 116.25 120.51 3cfj h VAL 99 Ca -0.09 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 65.78 3cfj h VAL 99 Cb 1.21 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3cfj h VAL 99 CO -0.14 0.51 -0.17 1.88 0.02 0.00 0.00 177.57 179.68 3cfj h TYR 100 N 0.59 0.40 -0.00 1.57 -1.99 -2.06 -1.96 116.97 113.51 3cfj h TYR 100 Ca 0.04 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.71 3cfj h TYR 100 Cb 0.99 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.62 3cfj h TYR 100 CO 0.07 0.53 -0.50 -1.71 -0.00 0.00 0.00 178.16 176.55 3cfj n ASN 100 N -4.20 0.53 -2.62 3.88 5.15 -1.21 -5.27 115.26 111.53 3cfj n ASN 100 Ca -0.00 -0.29 -0.06 0.00 -0.60 0.00 0.00 54.58 53.63 3cfj n ASN 100 Cb 0.33 0.26 -0.05 0.00 -0.53 0.00 0.00 39.78 39.79 3cfj n ASN 100 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3cfj n HIS 100 N -1.46 -4.45 0.00 1.20 8.25 -0.61 -5.09 115.22 113.05 3cfj n HIS 100 Ca 0.06 2.56 0.00 0.00 -0.26 0.00 0.00 57.72 60.08 3cfj n HIS 100 Cb 0.34 -3.91 0.00 0.00 1.12 0.00 0.00 29.99 27.54 3cfj n HIS 100 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3cfj n TYR 100 N 1.69 0.00 -4.80 4.41 4.02 -1.26 -5.04 117.16 116.19 3cfj n TYR 100 Ca -0.41 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.22 3cfj n TYR 100 Cb 0.63 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.78 3cfj n TYR 100 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3cfj s VAL 100 N 0.00 1.43 -0.97 -0.72 1.01 -0.72 -4.96 120.40 115.48 3cfj s VAL 100 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 3cfj s VAL 100 Cb 0.00 -1.27 0.11 0.00 0.00 0.00 0.00 36.38 35.22 3cfj s VAL 100 CO 0.00 0.42 1.23 -0.76 0.00 0.00 0.00 175.10 175.99 3cfj s LEU 100 N 0.49 4.60 -0.06 3.92 1.43 -1.26 -0.38 118.68 127.41 3cfj s LEU 100 Ca -0.14 -1.90 0.05 0.00 -1.03 0.00 0.00 54.13 51.10 3cfj s LEU 100 Cb -0.16 -2.45 -0.24 0.00 0.03 0.00 0.00 46.19 43.37 3cfj s LEU 100 CO 0.05 -1.18 0.60 -2.24 0.23 0.00 0.00 176.35 173.81 3cfj h ASP 101 N 9.05 0.17 -3.29 2.29 3.04 -1.85 -3.46 116.42 122.36 3cfj h ASP 101 Ca 0.18 -0.35 -0.65 0.00 -3.24 0.00 0.00 57.03 52.97 3cfj h ASP 101 Cb 1.01 -0.05 -0.34 0.00 -1.04 0.00 0.00 39.33 38.91 3cfj h ASP 101 CO 1.21 1.31 -0.86 -0.31 -2.04 0.00 0.00 179.24 178.54 3cfj s TYR 102 N -2.59 2.38 -0.02 4.15 2.02 -1.25 -5.01 117.35 117.03 3cfj s TYR 102 Ca -0.10 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 55.61 3cfj s TYR 102 Cb 0.07 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 3cfj s TYR 102 CO 0.81 -0.47 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.48 3cfj s TRP 103 N 0.62 2.28 0.78 2.71 0.52 -1.26 -0.57 118.94 124.02 3cfj s TRP 103 Ca -0.13 -0.43 -0.11 0.00 0.02 0.00 0.00 56.10 55.45 3cfj s TRP 103 Cb -0.17 -1.46 0.06 0.00 -1.15 0.00 0.00 33.47 30.75 3cfj s TRP 103 CO 0.03 -0.03 1.09 0.20 0.02 0.00 0.00 176.95 178.26 3cfj s GLY 104 N -0.63 1.63 0.48 0.98 0.00 0.92 -4.85 107.32 105.85 3cfj s GLY 104 Ca 0.10 -0.12 0.23 0.00 0.00 0.00 0.00 44.72 44.92 3cfj s GLY 104 CO -0.01 0.28 2.01 1.46 0.00 0.00 0.00 173.10 176.84 3cfj h GLN 105 N -1.03 0.00 0.00 2.90 1.08 -1.90 -3.43 115.11 112.72 3cfj h GLN 105 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3cfj h GLN 105 Cb 1.26 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.69 3cfj h GLN 105 CO 0.58 0.17 0.00 0.41 -0.95 0.00 0.00 178.83 179.04 3cfj n GLY 106 N -0.68 2.35 3.39 3.46 0.00 -1.26 -4.99 105.19 107.46 3cfj n GLY 106 Ca -0.02 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3cfj n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cfj s THR 107 N -2.23 2.43 -0.17 2.61 2.01 -0.78 -4.86 115.64 114.65 3cfj s THR 107 Ca 0.00 -1.25 -0.16 0.00 0.31 0.00 0.00 61.69 60.59 3cfj s THR 107 Cb 0.00 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 3cfj s THR 107 CO 0.00 0.39 0.40 -0.55 -0.69 0.00 0.00 174.62 174.17 3cfj s SER 108 N -1.23 6.52 -0.16 3.53 0.15 -1.26 -0.55 113.70 120.71 3cfj s SER 108 Ca 0.13 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.39 3cfj s SER 108 Cb -0.10 -2.24 -0.00 0.00 -1.71 0.00 0.00 66.02 61.97 3cfj s SER 108 CO 0.03 -0.02 -0.15 -0.69 1.20 0.00 0.00 173.24 173.62 3cfj s VAL 109 N 0.92 2.73 -0.18 4.45 1.01 -0.19 0.57 120.40 129.70 3cfj s VAL 109 Ca 0.21 -0.75 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3cfj s VAL 109 Cb -0.14 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3cfj s VAL 109 CO 0.08 0.51 -0.13 -0.89 0.00 0.00 0.00 175.10 174.67 3cfj s THR 110 N 0.81 2.77 -0.36 3.92 2.01 -0.87 -1.23 115.64 122.69 3cfj s THR 110 Ca -0.05 -0.71 -0.14 0.00 0.31 0.00 0.00 61.69 61.09 3cfj s THR 110 Cb -0.15 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 3cfj s THR 110 CO 0.00 0.49 0.31 -0.69 -0.69 0.00 0.00 174.62 174.05 3cfj s VAL 111 N 1.12 5.22 -0.03 3.82 1.01 -1.26 -1.38 120.40 128.89 3cfj s VAL 111 Ca 0.01 -0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.50 3cfj s VAL 111 Cb -0.14 -3.82 0.10 0.00 0.00 0.00 0.00 36.38 32.52 3cfj s VAL 111 CO -0.04 -0.13 0.86 -0.55 0.00 0.00 0.00 175.10 175.24 3cfj s SER 112 N 1.73 -0.42 -0.04 3.32 0.15 -0.85 -4.43 113.70 113.16 3cfj s SER 112 Ca 0.09 0.18 0.21 0.00 0.70 0.00 0.00 55.95 57.12 3cfj s SER 112 Cb -0.17 0.40 -0.32 0.00 -1.71 0.00 0.00 66.02 64.22 3cfj s SER 112 CO 0.11 -0.58 0.43 -1.54 1.20 0.00 0.00 173.24 172.86 3cfj n SER 113 N 0.11 0.20 -4.51 5.45 3.41 -1.26 -4.20 113.62 112.82 3cfj n SER 113 Ca -0.11 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.12 3cfj n SER 113 Cb 0.61 1.89 0.05 0.00 -0.26 0.00 0.00 64.21 66.49 3cfj n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cfj n ALA 114 N -2.26 -0.77 -2.15 7.33 0.00 -1.26 -5.00 120.51 116.39 3cfj n ALA 114 Ca -0.06 -0.04 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 3cfj n ALA 114 Cb 0.59 -1.92 0.03 0.00 0.00 0.00 0.00 19.45 18.15 3cfj n ALA 114 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cfj s SER 115 N -1.23 5.61 0.39 0.00 1.04 -1.26 -5.05 113.70 113.19 3cfj s SER 115 Ca 0.71 0.46 -0.26 0.00 0.48 0.00 0.00 55.95 57.33 3cfj s SER 115 Cb -0.43 -1.51 -0.09 0.00 0.10 0.00 0.00 66.02 64.09 3cfj s SER 115 CO 0.52 -0.96 1.28 -0.89 0.98 0.00 0.00 173.24 174.17 3cfj s THR 116 N -2.81 2.70 -0.02 2.02 2.01 -1.26 -4.80 115.64 113.47 3cfj s THR 116 Ca 0.52 0.64 -0.00 0.00 0.31 0.00 0.00 61.69 63.16 3cfj s THR 116 Cb -0.10 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.06 3cfj s THR 116 CO 0.42 0.10 0.03 -0.75 -0.69 0.00 0.00 174.62 173.73 3cfj s LYS 117 N -2.17 -0.02 0.44 4.92 2.20 0.06 -4.95 119.74 120.23 3cfj s LYS 117 Ca 0.56 0.21 -0.21 0.00 -0.36 0.00 0.00 55.97 56.17 3cfj s LYS 117 Cb -0.37 -0.32 -0.11 0.00 -1.51 0.00 0.00 37.83 35.52 3cfj s LYS 117 CO 0.48 -0.20 0.96 0.20 -0.36 0.00 0.00 175.35 176.44 3cfj s GLY 118 N 1.27 2.39 0.55 5.54 0.00 -1.26 -1.23 107.32 114.57 3cfj s GLY 118 Ca -0.07 0.41 -0.17 0.00 0.00 0.00 0.00 44.72 44.90 3cfj s GLY 118 CO -0.03 0.70 1.02 2.56 0.00 0.00 0.00 173.10 177.35 3cfj s PRO 119 N -3.22 3.64 0.09 2.90 0.04 -1.26 -4.60 135.00 132.60 3cfj s PRO 119 Ca 0.62 1.12 -0.14 0.00 0.04 0.00 0.00 61.00 62.65 3cfj s PRO 119 Cb -0.10 -2.08 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 3cfj s PRO 119 CO 0.14 -0.54 0.49 -1.12 0.04 0.00 0.00 177.00 176.02 3cfj s SER 120 N -2.79 6.81 -0.19 6.66 0.01 0.29 -4.90 113.70 119.59 3cfj s SER 120 Ca 0.62 1.02 -0.01 0.00 1.31 0.00 0.00 55.95 58.88 3cfj s SER 120 Cb -0.13 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.83 3cfj s SER 120 CO 0.32 0.19 -0.12 -0.69 0.41 0.00 0.00 173.24 173.35 3cfj s VAL 121 N -1.32 2.76 -0.04 3.43 1.01 -1.26 -0.26 120.40 124.71 3cfj s VAL 121 Ca 0.33 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3cfj s VAL 121 Cb -0.16 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3cfj s VAL 121 CO 0.18 0.48 -0.23 -0.36 0.00 0.00 0.00 175.10 175.17 3cfj s PHE 122 N 1.29 2.15 0.41 5.22 0.08 -0.17 -4.95 117.98 122.01 3cfj s PHE 122 Ca 0.04 -0.55 -0.25 0.00 0.12 0.00 0.00 56.93 56.29 3cfj s PHE 122 Cb -0.14 -1.41 -0.08 0.00 -0.57 0.00 0.00 43.02 40.82 3cfj s PHE 122 CO -0.07 -0.14 1.17 -1.25 -0.10 0.00 0.00 175.22 174.84 3cfj s PRO 123 N -0.27 4.02 -0.58 0.24 0.04 -1.26 -0.28 135.00 136.91 3cfj s PRO 123 Ca 0.01 1.83 -0.08 0.00 0.04 0.00 0.00 61.00 62.81 3cfj s PRO 123 Cb -0.11 -2.65 0.15 0.00 0.04 0.00 0.00 34.50 31.93 3cfj s PRO 123 CO 0.02 -0.34 0.44 -0.51 0.04 0.00 0.00 177.00 176.64 3cfj s LEU 124 N -2.55 5.71 0.22 -3.56 1.43 0.17 -4.79 118.68 115.31 3cfj s LEU 124 Ca 0.58 -2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 51.02 3cfj s LEU 124 Cb -0.30 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 3cfj s LEU 124 CO 0.38 -0.56 1.14 0.00 0.23 0.00 0.00 176.35 177.55 3cfj s ALA 125 N 0.67 3.41 0.59 4.21 0.00 -1.26 -1.19 121.76 128.19 3cfj s ALA 125 Ca 0.12 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 3cfj s ALA 125 Cb -0.21 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 3cfj s ALA 125 CO -0.03 -0.27 1.02 -1.25 0.00 0.00 0.00 175.76 175.23 3cfj s PRO 126 N -0.76 3.58 0.02 0.00 0.04 -1.25 -4.86 135.00 131.78 3cfj s PRO 126 Ca 0.49 0.91 0.03 0.00 0.04 0.00 0.00 61.00 62.47 3cfj s PRO 126 Cb -0.32 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 3cfj s PRO 126 CO 0.38 -0.58 -0.10 -1.54 0.04 0.00 0.00 177.00 175.21 3cfj s SER 127 N -3.55 1.14 0.40 6.66 1.04 -1.26 -2.29 113.70 115.84 3cfj s SER 127 Ca 0.58 -0.36 0.29 0.00 0.48 0.00 0.00 55.95 56.94 3cfj s SER 127 Cb -0.12 -0.06 1.26 0.00 0.10 0.00 0.00 66.02 67.20 3cfj s SER 127 CO 0.44 -0.01 1.85 -1.28 0.98 0.00 0.00 173.24 175.22 3cfj h SER 128 N 5.20 0.00 0.46 7.02 0.87 -1.97 -2.43 113.55 122.70 3cfj h SER 128 Ca -0.34 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3cfj h SER 128 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 3cfj h SER 128 CO 0.45 0.00 -0.47 0.29 -0.53 0.00 0.00 176.83 176.57 3cfj n LYS 129 N -2.59 0.11 -2.18 2.24 5.02 -1.26 -4.44 118.16 115.06 3cfj n LYS 129 Ca 0.01 -0.06 -0.29 0.00 -2.02 0.00 0.00 58.31 55.95 3cfj n LYS 129 Cb 0.22 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 3cfj n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3cfj n SER 130 N -1.39 5.45 -4.74 4.39 7.64 -0.91 -5.04 113.62 119.01 3cfj n SER 130 Ca 0.06 -3.75 -0.36 0.00 1.01 0.00 0.00 58.87 55.83 3cfj n SER 130 Cb 0.34 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 3cfj n SER 130 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3cfj s THR 133 N -5.16 5.34 -0.06 0.44 -4.23 -1.26 -4.71 115.64 105.99 3cfj s THR 133 Ca 0.51 0.42 0.05 0.00 -1.18 0.00 0.00 61.69 61.49 3cfj s THR 133 Cb 0.42 -3.57 -0.00 0.00 1.34 0.00 0.00 72.50 70.68 3cfj s THR 133 CO -0.15 0.43 -0.22 -0.55 -0.54 0.00 0.00 174.62 173.59 3cfj s SER 134 N 0.28 2.74 -1.49 3.99 0.15 -0.80 -4.78 113.70 113.79 3cfj s SER 134 Ca 0.14 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.28 3cfj s SER 134 Cb -0.12 -0.91 0.02 0.00 -1.71 0.00 0.00 66.02 63.30 3cfj s SER 134 CO 0.02 0.19 0.44 0.61 1.20 0.00 0.00 173.24 175.70 3cfj n GLY 135 N 3.19 -0.51 2.68 9.45 0.00 -1.26 -1.95 105.19 116.80 3cfj n GLY 135 Ca -0.18 0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3cfj n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cfj n GLY 136 N -1.31 0.85 3.55 -0.02 0.00 -1.26 -5.02 105.19 101.97 3cfj n GLY 136 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 3cfj n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cfj s THR 137 N -3.40 3.04 0.01 2.61 -4.23 -0.82 -1.55 115.64 111.29 3cfj s THR 137 Ca 0.00 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 3cfj s THR 137 Cb 0.00 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 3cfj s THR 137 CO 0.00 -0.18 -0.10 0.00 -0.54 0.00 0.00 174.62 173.81 3cfj s ALA 138 N -1.87 2.90 0.04 3.99 0.00 0.83 -1.90 121.76 125.75 3cfj s ALA 138 Ca 0.26 -1.05 0.09 0.00 0.00 0.00 0.00 51.96 51.26 3cfj s ALA 138 Cb -0.08 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 3cfj s ALA 138 CO 0.15 0.60 -0.25 0.00 0.00 0.00 0.00 175.76 176.26 3cfj s ALA 139 N -0.96 2.30 0.12 0.00 0.00 -1.26 -1.27 121.76 120.69 3cfj s ALA 139 Ca 0.16 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3cfj s ALA 139 Cb -0.11 -0.51 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 3cfj s ALA 139 CO 0.06 0.54 0.20 -0.48 0.00 0.00 0.00 175.76 176.08 3cfj s LEU 140 N -1.27 1.34 0.00 0.00 0.05 -0.48 -3.85 118.68 114.47 3cfj s LEU 140 Ca 0.12 -0.84 0.00 0.00 0.05 0.00 0.00 54.13 53.46 3cfj s LEU 140 Cb -0.10 0.95 0.00 0.00 -2.05 0.00 0.00 46.19 44.99 3cfj s LEU 140 CO 0.02 -0.79 0.00 0.61 -0.55 0.00 0.00 176.35 175.64 3cfj n GLY 141 N -0.12 1.35 2.96 -3.48 0.00 -0.33 -0.20 105.19 105.36 3cfj n GLY 141 Ca -0.10 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.95 3cfj n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfj s LEU 143 N 0.06 4.02 -0.52 0.00 2.96 0.62 -1.52 118.68 124.30 3cfj s LEU 143 Ca -0.00 -0.26 -0.16 0.00 -0.22 0.00 0.00 54.13 53.49 3cfj s LEU 143 Cb -0.05 -2.05 0.11 0.00 0.50 0.00 0.00 46.19 44.70 3cfj s LEU 143 CO -0.00 -0.12 0.47 -0.69 -1.32 0.00 0.00 176.35 174.69 3cfj s VAL 144 N 1.69 5.22 -0.01 1.68 1.01 0.61 -1.00 120.40 129.59 3cfj s VAL 144 Ca 0.06 -1.38 0.07 0.00 0.00 0.00 0.00 61.98 60.73 3cfj s VAL 144 Cb -0.16 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 3cfj s VAL 144 CO 0.08 -0.79 -0.21 -0.75 0.00 0.00 0.00 175.10 173.43 3cfj s LYS 145 N 1.62 2.15 -0.58 2.72 2.20 0.64 -1.06 119.74 127.42 3cfj s LYS 145 Ca 0.03 -0.91 -0.03 0.00 -0.36 0.00 0.00 55.97 54.71 3cfj s LYS 145 Cb -0.28 -2.15 -0.03 0.00 -1.51 0.00 0.00 37.83 33.86 3cfj s LYS 145 CO 0.04 0.57 0.52 -0.25 -0.36 0.00 0.00 175.35 175.87 3cfj n ASP 146 N 2.13 -5.06 -4.38 1.43 8.00 -0.58 -0.55 116.55 117.54 3cfj n ASP 146 Ca -0.16 -0.31 -0.20 0.00 0.71 0.00 0.00 54.79 54.82 3cfj n ASP 146 Cb 0.52 -3.46 -0.10 0.00 -0.02 0.00 0.00 41.12 38.06 3cfj n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3cfj s TYR 147 N -3.17 1.82 -0.28 1.24 1.13 -0.87 -4.26 117.35 112.97 3cfj s TYR 147 Ca 0.19 -0.63 -0.21 0.00 -1.41 0.00 0.00 57.07 55.02 3cfj s TYR 147 Cb -0.03 -0.93 0.08 0.00 -1.10 0.00 0.00 41.96 39.98 3cfj s TYR 147 CO 0.45 0.32 0.73 0.12 -2.51 0.00 0.00 175.55 174.66 3cfj s PHE 148 N -2.99 -0.90 0.24 -3.49 5.36 -0.37 -0.77 117.98 115.07 3cfj s PHE 148 Ca 0.26 1.97 -0.01 0.00 -0.96 0.00 0.00 56.93 58.19 3cfj s PHE 148 Cb 0.01 0.44 0.05 0.00 -0.34 0.00 0.00 43.02 43.18 3cfj s PHE 148 CO 0.09 -0.44 0.33 -0.35 -1.46 0.00 0.00 175.22 173.39 3cfj n PRO 149 N 3.43 0.27 -1.07 10.12 -0.04 -1.26 -0.76 135.00 145.69 3cfj n PRO 149 Ca -0.17 -0.81 -0.30 0.00 -0.04 0.00 0.00 63.50 62.18 3cfj n PRO 149 Cb 0.57 -0.24 0.13 0.00 -0.04 0.00 0.00 33.50 33.92 3cfj n PRO 149 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3cfj s GLU 150 N -3.33 1.51 0.58 0.54 0.41 -1.26 -4.77 118.70 112.38 3cfj s GLU 150 Ca 0.21 1.14 0.08 0.00 -0.41 0.00 0.00 54.97 55.99 3cfj s GLU 150 Cb -0.01 -1.81 0.08 0.00 -1.78 0.00 0.00 34.13 30.61 3cfj s GLU 150 CO 0.14 -2.16 0.79 -1.25 -0.49 0.00 0.00 175.26 172.30 3cfj s PRO 151 N -4.83 2.28 -0.00 0.39 0.04 -1.26 -4.89 135.00 126.74 3cfj s PRO 151 Ca 0.63 -1.50 0.08 0.00 0.04 0.00 0.00 61.00 60.25 3cfj s PRO 151 Cb -0.19 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 3cfj s PRO 151 CO 0.57 -0.87 -0.24 0.08 0.04 0.00 0.00 177.00 176.58 3cfj s VAL 152 N -2.70 1.91 -0.07 -0.36 1.01 -1.26 -4.56 120.40 114.37 3cfj s VAL 152 Ca 0.62 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3cfj s VAL 152 Cb -0.06 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3cfj s VAL 152 CO 0.39 0.48 -0.01 0.42 0.00 0.00 0.00 175.10 176.37 3cfj s THR 153 N -0.63 4.17 -0.02 3.92 -4.23 -0.18 -4.97 115.64 113.71 3cfj s THR 153 Ca 0.10 -0.34 0.04 0.00 -1.18 0.00 0.00 61.69 60.30 3cfj s THR 153 Cb -0.09 -2.76 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 3cfj s THR 153 CO -0.00 0.57 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.81 3cfj s VAL 154 N -0.90 1.18 0.21 2.29 1.01 -1.26 -1.09 120.40 121.84 3cfj s VAL 154 Ca 0.14 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 3cfj s VAL 154 Cb -0.11 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3cfj s VAL 154 CO 0.03 0.34 0.24 -0.94 0.00 0.00 0.00 175.10 174.77 3cfj s SER 156 N -0.21 0.08 -0.07 3.32 1.04 -0.42 -4.98 113.70 112.46 3cfj s SER 156 Ca 0.03 -1.22 0.04 0.00 0.48 0.00 0.00 55.95 55.28 3cfj s SER 156 Cb -0.07 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.49 3cfj s SER 156 CO 0.00 -0.93 -0.19 0.26 0.98 0.00 0.00 173.24 173.36 3cfj s TRP 157 N -4.10 2.06 -1.39 5.02 0.52 -1.26 0.04 118.94 119.82 3cfj s TRP 157 Ca 0.32 -0.74 -0.00 0.00 0.02 0.00 0.00 56.10 55.70 3cfj s TRP 157 Cb 0.05 -1.40 0.00 0.00 -1.15 0.00 0.00 33.47 30.97 3cfj s TRP 157 CO 0.10 -0.30 0.48 0.09 0.02 0.00 0.00 176.95 177.34 3cfj n ASN 162 N 3.43 -0.51 -3.14 2.95 3.02 0.62 -1.83 115.26 119.81 3cfj n ASN 162 Ca -0.20 -0.97 -0.22 0.00 -0.03 0.00 0.00 54.58 53.16 3cfj n ASN 162 Cb 0.52 -3.26 0.01 0.00 -0.61 0.00 0.00 39.78 36.45 3cfj n ASN 162 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3cfj n SER 163 N -3.00 -4.80 0.00 6.41 7.64 -1.26 -1.04 113.62 117.58 3cfj n SER 163 Ca -0.31 -0.30 0.00 0.00 1.01 0.00 0.00 58.87 59.27 3cfj n SER 163 Cb 0.68 -3.93 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 3cfj n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cfj n GLY 164 N -1.30 1.46 0.19 0.23 0.00 -0.76 -4.91 105.19 100.11 3cfj n GLY 164 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 3cfj n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cfj h ALA 165 N 0.00 1.29 -2.95 4.61 0.00 -1.01 -3.42 119.26 117.78 3cfj h ALA 165 Ca 0.00 -0.35 -0.66 0.00 0.00 0.00 0.00 54.91 53.90 3cfj h ALA 165 Cb 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 17.79 17.49 3cfj h ALA 165 CO 0.00 0.48 -0.61 -1.17 0.00 0.00 0.00 179.25 177.95 3cfj s LEU 166 N -7.92 3.74 0.00 0.00 2.96 -0.90 -4.92 118.68 111.64 3cfj s LEU 166 Ca -0.02 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3cfj s LEU 166 Cb 0.14 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.90 3cfj s LEU 166 CO 0.71 -0.13 0.00 0.35 -1.32 0.00 0.00 176.35 175.97 3cfj n THR 167 N 4.92 0.00 -1.83 3.68 -2.24 -1.26 -4.21 114.28 113.34 3cfj n THR 167 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3cfj n THR 167 Cb 0.50 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 3cfj n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3cfj s SER 168 N -3.02 6.51 0.00 3.42 0.15 -1.26 -2.47 113.70 117.03 3cfj s SER 168 Ca 0.00 2.66 0.00 0.00 0.70 0.00 0.00 55.95 59.31 3cfj s SER 168 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3cfj s SER 168 CO 0.00 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.13 3cfj n GLY 169 N 4.00 0.80 3.73 9.45 0.00 -1.26 -4.83 105.19 117.08 3cfj n GLY 169 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3cfj n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cfj s VAL 171 N -3.09 4.95 -0.09 1.61 1.01 -1.03 -2.04 120.40 121.71 3cfj s VAL 171 Ca 0.00 1.44 0.01 0.00 0.00 0.00 0.00 61.98 63.42 3cfj s VAL 171 Cb 0.00 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.37 3cfj s VAL 171 CO 0.00 0.31 -0.09 -1.00 0.00 0.00 0.00 175.10 174.32 3cfj s HIS 172 N 0.39 1.46 -0.21 5.22 3.76 0.27 -4.99 115.29 121.17 3cfj s HIS 172 Ca 0.36 -0.66 -0.05 0.00 -0.15 0.00 0.00 55.06 54.56 3cfj s HIS 172 Cb -0.18 -1.16 -0.02 0.00 1.11 0.00 0.00 32.58 32.32 3cfj s HIS 172 CO 0.19 -0.42 0.01 0.99 -0.85 0.00 0.00 174.74 174.66 3cfj s THR 173 N 1.31 3.93 0.39 1.30 2.01 -1.26 -0.18 115.64 123.13 3cfj s THR 173 Ca -0.02 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 3cfj s THR 173 Cb -0.14 -2.79 -0.08 0.00 0.01 0.00 0.00 72.50 69.50 3cfj s THR 173 CO -0.04 0.41 0.79 -0.36 -0.69 0.00 0.00 174.62 174.73 3cfj s PHE 174 N 1.21 3.42 0.38 4.92 0.08 0.06 -5.00 117.98 123.04 3cfj s PHE 174 Ca 0.03 1.18 -0.26 0.00 0.12 0.00 0.00 56.93 58.01 3cfj s PHE 174 Cb -0.15 -2.54 -0.11 0.00 -0.57 0.00 0.00 43.02 39.65 3cfj s PHE 174 CO 0.01 -0.06 1.12 -2.30 -0.10 0.00 0.00 175.22 173.89 3cfj n PRO 175 N -0.96 1.62 -2.19 0.24 -0.02 -1.26 -4.57 135.00 127.87 3cfj n PRO 175 Ca 0.04 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 3cfj n PRO 175 Cb 0.54 -2.13 0.01 0.00 -0.02 0.00 0.00 33.50 31.90 3cfj n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cfj s ALA 176 N -1.18 2.66 0.07 3.55 0.00 -1.26 -4.76 121.76 120.84 3cfj s ALA 176 Ca 0.60 0.78 0.06 0.00 0.00 0.00 0.00 51.96 53.40 3cfj s ALA 176 Cb -0.58 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.15 3cfj s ALA 176 CO 0.59 -0.84 -0.08 0.14 0.00 0.00 0.00 175.76 175.57 3cfj s VAL 177 N -1.86 3.51 -0.38 0.00 -7.23 0.17 -4.94 120.40 109.67 3cfj s VAL 177 Ca 0.72 -1.10 -0.19 0.00 -1.81 0.00 0.00 61.98 59.61 3cfj s VAL 177 Cb -0.23 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.10 3cfj s VAL 177 CO 0.29 0.20 0.53 -0.22 -0.31 0.00 0.00 175.10 175.59 3cfj s LEU 178 N -1.98 4.44 0.80 1.32 2.96 -1.26 -1.15 118.68 123.80 3cfj s LEU 178 Ca 0.21 -0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.83 3cfj s LEU 178 Cb -0.11 -2.59 0.07 0.00 0.50 0.00 0.00 46.19 44.06 3cfj s LEU 178 CO 0.12 -0.55 1.10 -1.10 -1.32 0.00 0.00 176.35 174.60 3cfj s GLN 179 N 2.45 2.10 0.60 1.98 -0.21 0.19 -4.94 119.66 121.83 3cfj s GLN 179 Ca 0.19 0.58 0.38 0.00 0.02 0.00 0.00 55.36 56.53 3cfj s GLN 179 Cb -0.15 -1.92 1.84 0.00 1.00 0.00 0.00 33.01 33.77 3cfj s GLN 179 CO 0.14 -1.60 2.17 0.66 -2.12 0.00 0.00 175.29 174.54 3cfj h SER 180 N -1.07 0.00 0.24 5.90 4.64 -1.98 -1.31 113.55 119.97 3cfj h SER 180 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3cfj h SER 180 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3cfj h SER 180 CO 0.60 0.02 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 3cfj n SER 182 N -3.17 0.00 0.00 4.97 3.41 -1.26 -4.87 113.62 112.69 3cfj n SER 182 Ca -0.01 -0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3cfj n SER 182 Cb 0.19 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3cfj n SER 182 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cfj n GLY 183 N 0.29 0.78 3.71 5.00 0.00 -0.49 -5.05 105.19 109.42 3cfj n GLY 183 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3cfj n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cfj s LEU 184 N 0.00 3.55 0.36 0.99 1.43 -1.26 -4.88 118.68 118.87 3cfj s LEU 184 Ca 0.00 -0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 52.92 3cfj s LEU 184 Cb 0.00 -2.24 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 3cfj s LEU 184 CO 0.00 0.18 0.66 -0.31 0.23 0.00 0.00 176.35 177.11 3cfj s TYR 185 N -1.31 3.49 -0.05 0.29 1.51 0.05 -0.64 117.35 120.70 3cfj s TYR 185 Ca 0.26 0.76 -0.04 0.00 -1.01 0.00 0.00 57.07 57.03 3cfj s TYR 185 Cb -0.12 -2.21 0.02 0.00 -0.11 0.00 0.00 41.96 39.53 3cfj s TYR 185 CO 0.18 0.01 0.13 0.45 -1.11 0.00 0.00 175.55 175.21 3cfj s SER 186 N -3.42 -0.13 0.08 2.29 0.15 -0.30 -1.53 113.70 110.84 3cfj s SER 186 Ca 0.46 0.27 -0.05 0.00 0.70 0.00 0.00 55.95 57.33 3cfj s SER 186 Cb -0.10 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.45 3cfj s SER 186 CO 0.34 -0.06 0.10 -1.48 1.20 0.00 0.00 173.24 173.34 3cfj s LEU 187 N 0.18 1.83 0.15 3.45 0.05 -0.23 -0.66 118.68 123.45 3cfj s LEU 187 Ca -0.01 -0.82 0.11 0.00 0.05 0.00 0.00 54.13 53.47 3cfj s LEU 187 Cb -0.02 0.69 -0.04 0.00 -2.05 0.00 0.00 46.19 44.77 3cfj s LEU 187 CO -0.00 -0.69 -0.26 -0.94 -0.55 0.00 0.00 176.35 173.91 3cfj s SER 188 N -2.89 3.34 -0.00 1.48 1.04 -1.26 -0.29 113.70 115.11 3cfj s SER 188 Ca 0.07 -0.78 0.04 0.00 0.48 0.00 0.00 55.95 55.76 3cfj s SER 188 Cb 0.06 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 3cfj s SER 188 CO -0.10 0.16 -0.12 -0.55 0.98 0.00 0.00 173.24 173.61 3cfj s SER 189 N -2.23 1.43 0.00 7.02 0.15 -0.57 -0.76 113.70 118.74 3cfj s SER 189 Ca 0.16 -0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.54 3cfj s SER 189 Cb -0.09 -0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 3cfj s SER 189 CO 0.07 0.13 0.03 0.54 1.20 0.00 0.00 173.24 175.21 3cfj s VAL 190 N -0.36 0.07 -0.06 4.45 0.11 0.75 -1.37 120.40 123.98 3cfj s VAL 190 Ca 0.04 -0.54 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 3cfj s VAL 190 Cb -0.05 -0.23 0.01 0.00 -1.53 0.00 0.00 36.38 34.59 3cfj s VAL 190 CO -0.00 -0.30 -0.12 -0.69 -3.33 0.00 0.00 175.10 170.65 3cfj s VAL 191 N -0.91 1.14 -0.07 2.04 1.01 0.72 -0.57 120.40 123.76 3cfj s VAL 191 Ca -0.10 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.40 3cfj s VAL 191 Cb -0.06 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3cfj s VAL 191 CO -0.00 0.35 -0.07 0.42 0.00 0.00 0.00 175.10 175.81 3cfj s THR 192 N 0.60 3.73 0.07 3.92 -4.23 -0.87 -1.38 115.64 117.48 3cfj s THR 192 Ca -0.13 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 3cfj s THR 192 Cb -0.15 -2.52 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 3cfj s THR 192 CO 0.04 0.60 -0.08 0.68 -0.54 0.00 0.00 174.62 175.32 3cfj s VAL 193 N -0.82 0.64 0.16 2.29 -7.23 -0.40 -4.63 120.40 110.40 3cfj s VAL 193 Ca 0.12 -1.42 -0.34 0.00 -1.81 0.00 0.00 61.98 58.54 3cfj s VAL 193 Cb -0.11 -1.04 -0.14 0.00 0.56 0.00 0.00 36.38 35.65 3cfj s VAL 193 CO 0.01 -0.56 1.55 -2.65 -0.31 0.00 0.00 175.10 173.14 3cfj n PRO 194 N 0.88 2.05 -0.32 4.82 -0.02 -1.26 -0.12 135.00 141.03 3cfj n PRO 194 Ca -0.19 0.74 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 3cfj n PRO 194 Cb 0.57 -2.49 0.31 0.00 -0.02 0.00 0.00 33.50 31.87 3cfj n PRO 194 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3cfj h SER 195 N 5.71 0.53 0.23 2.55 4.64 -1.55 0.60 113.55 126.25 3cfj h SER 195 Ca -0.45 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3cfj h SER 195 Cb 1.26 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3cfj h SER 195 CO 0.87 0.11 0.00 -1.20 -0.87 0.00 0.00 176.83 175.74 3cfj n SER 196 N -4.93 0.00 -0.55 4.97 7.64 -1.26 -2.05 113.62 117.44 3cfj n SER 196 Ca 0.23 -0.09 0.12 0.00 1.01 0.00 0.00 58.87 60.13 3cfj n SER 196 Cb 0.62 -0.21 0.15 0.00 -1.01 0.00 0.00 64.21 63.75 3cfj n SER 196 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3cfj n SER 197 N -1.21 2.00 -0.06 6.43 3.41 0.20 -4.70 113.62 119.68 3cfj n SER 197 Ca 0.09 -1.50 -0.14 0.00 -0.26 0.00 0.00 58.87 57.06 3cfj n SER 197 Cb 0.11 0.26 -0.09 0.00 -0.26 0.00 0.00 64.21 64.23 3cfj n SER 197 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3cfj h LEU 198 N 2.69 -1.70 -0.21 1.04 3.38 -1.52 -1.24 115.31 117.75 3cfj h LEU 198 Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3cfj h LEU 198 Cb 0.74 0.68 0.00 0.00 0.09 0.00 0.00 40.66 42.17 3cfj h LEU 198 CO 0.00 -0.43 0.00 0.61 0.09 0.00 0.00 178.44 178.71 3cfj n GLY 199 N -1.39 -0.46 0.16 0.83 0.00 -1.26 -3.76 105.19 99.31 3cfj n GLY 199 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3cfj n GLY 199 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3cfj h THR 200 N 0.00 0.05 -3.78 2.61 2.02 -1.54 -3.47 112.91 108.79 3cfj h THR 200 Ca 0.00 -1.08 -0.13 0.00 0.77 0.00 0.00 66.41 65.97 3cfj h THR 200 Cb 0.10 1.74 -0.18 0.00 -1.74 0.00 0.00 68.15 68.08 3cfj h THR 200 CO 0.00 0.03 -0.51 -1.10 0.37 0.00 0.00 175.52 174.30 3cfj s GLN 203 N -3.27 0.59 0.13 6.66 -0.21 -1.25 -5.15 119.66 117.16 3cfj s GLN 203 Ca 0.02 -0.74 -0.11 0.00 0.02 0.00 0.00 55.36 54.55 3cfj s GLN 203 Cb 0.08 0.23 -0.06 0.00 1.00 0.00 0.00 33.01 34.26 3cfj s GLN 203 CO 0.74 -0.15 0.48 0.99 -2.12 0.00 0.00 175.29 175.23 3cfj s THR 205 N -2.59 4.99 -0.16 -0.19 2.01 -1.26 -5.03 115.64 113.41 3cfj s THR 205 Ca -0.05 0.57 -0.00 0.00 0.31 0.00 0.00 61.69 62.52 3cfj s THR 205 Cb -0.01 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.86 3cfj s THR 205 CO -0.04 0.20 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.70 3cfj s TYR 206 N -1.50 1.86 -0.13 4.92 2.02 -1.26 -4.94 117.35 118.31 3cfj s TYR 206 Ca 0.37 -1.13 0.02 0.00 -0.37 0.00 0.00 57.07 55.96 3cfj s TYR 206 Cb -0.14 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 3cfj s TYR 206 CO 0.19 -0.63 -0.18 0.42 -1.57 0.00 0.00 175.55 173.78 3cfj s ILE 207 N 1.58 1.78 -0.13 2.71 1.01 -1.26 -0.30 121.20 126.59 3cfj s ILE 207 Ca 0.02 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.69 3cfj s ILE 207 Cb -0.15 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 3cfj s ILE 207 CO -0.08 0.50 0.41 0.00 0.00 0.00 0.00 174.94 175.77 3cfj s ASN 209 N 0.58 5.46 -0.15 0.00 -0.87 0.11 -1.18 114.94 118.88 3cfj s ASN 209 Ca 0.23 -0.32 0.00 0.00 -1.57 0.00 0.00 52.86 51.19 3cfj s ASN 209 Cb -0.14 -1.99 -0.00 0.00 -0.02 0.00 0.00 41.25 39.10 3cfj s ASN 209 CO 0.08 -0.11 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.66 3cfj s VAL 210 N 1.64 2.68 -0.11 1.60 1.01 0.68 -1.30 120.40 126.60 3cfj s VAL 210 Ca 0.06 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3cfj s VAL 210 Cb -0.16 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3cfj s VAL 210 CO 0.06 0.51 -0.19 0.21 0.00 0.00 0.00 175.10 175.70 3cfj s ASN 211 N 0.81 2.69 -0.50 3.32 2.47 -0.25 -0.57 114.94 122.91 3cfj s ASN 211 Ca -0.05 -0.49 0.03 0.00 0.42 0.00 0.00 52.86 52.77 3cfj s ASN 211 Cb -0.15 -1.23 0.14 0.00 -1.45 0.00 0.00 41.25 38.56 3cfj s ASN 211 CO -0.00 0.06 0.27 -2.28 -3.72 0.00 0.00 177.10 171.43 3cfj s HIS 212 N 0.78 2.72 0.21 0.43 5.65 0.76 -1.01 115.29 124.84 3cfj s HIS 212 Ca -0.10 -2.89 -0.15 0.00 0.25 0.00 0.00 55.06 52.18 3cfj s HIS 212 Cb -0.16 -2.43 0.23 0.00 -1.18 0.00 0.00 32.58 29.05 3cfj s HIS 212 CO 0.01 -0.74 1.61 0.87 -0.65 0.00 0.00 174.74 175.83 3cfj h LYS 213 N 6.49 -0.04 -0.35 2.88 1.79 -1.81 -2.01 116.57 123.52 3cfj h LYS 213 Ca -0.03 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.54 3cfj h LYS 213 Cb 0.90 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.54 3cfj h LYS 213 CO 0.61 -0.03 0.27 -1.35 -1.08 0.00 0.00 179.45 177.88 3cfj h PRO 214 N -0.04 0.00 -0.05 3.15 0.11 -1.93 -1.37 132.00 131.87 3cfj h PRO 214 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3cfj h PRO 214 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3cfj h PRO 214 CO -0.70 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 175.96 3cfj n SER 215 N -4.26 2.42 -3.39 -2.05 3.41 -0.95 -4.98 113.62 103.82 3cfj n SER 215 Ca 0.05 -1.70 -0.24 0.00 -0.26 0.00 0.00 58.87 56.72 3cfj n SER 215 Cb 0.45 -0.02 0.05 0.00 -0.26 0.00 0.00 64.21 64.43 3cfj n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3cfj n ASN 216 N 0.93 -5.79 -4.62 4.04 3.02 -0.52 -4.93 115.26 107.39 3cfj n ASN 216 Ca 0.10 -0.46 -0.38 0.00 -0.03 0.00 0.00 54.58 53.82 3cfj n ASN 216 Cb 0.42 -4.63 -0.10 0.00 -0.61 0.00 0.00 39.78 34.85 3cfj n ASN 216 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cfj s THR 217 N -3.22 5.30 -0.14 3.41 2.01 -0.95 -4.97 115.64 117.07 3cfj s THR 217 Ca 0.47 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.77 3cfj s THR 217 Cb -0.22 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.74 3cfj s THR 217 CO 0.58 0.27 -0.21 -0.54 -0.69 0.00 0.00 174.62 174.03 3cfj s LYS 218 N 1.53 3.05 -0.04 4.92 1.02 -1.26 -0.17 119.74 128.80 3cfj s LYS 218 Ca 0.09 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.27 3cfj s LYS 218 Cb -0.15 -2.47 0.01 0.00 -0.52 0.00 0.00 37.83 34.70 3cfj s LYS 218 CO 0.08 -0.01 -0.11 0.08 -0.92 0.00 0.00 175.35 174.48 3cfj s VAL 219 N 0.82 0.96 -0.30 3.17 1.01 0.27 -4.99 120.40 121.34 3cfj s VAL 219 Ca -0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3cfj s VAL 219 Cb -0.15 -0.86 0.04 0.00 0.00 0.00 0.00 36.38 35.40 3cfj s VAL 219 CO -0.02 0.30 0.01 -1.81 0.00 0.00 0.00 175.10 173.58 3cfj s ASP 220 N 0.39 4.86 -0.23 3.32 1.11 -1.26 -0.23 116.67 124.63 3cfj s ASP 220 Ca -0.08 -1.16 -0.03 0.00 0.18 0.00 0.00 52.55 51.47 3cfj s ASP 220 Cb -0.12 -1.73 0.00 0.00 1.07 0.00 0.00 42.92 42.14 3cfj s ASP 220 CO 0.02 -0.24 -0.06 -0.75 1.18 0.00 0.00 175.17 175.31 3cfj s LYS 221 N 1.30 3.20 0.01 8.23 2.47 -0.33 -4.95 119.74 129.67 3cfj s LYS 221 Ca -0.04 -0.74 -0.30 0.00 -1.56 0.00 0.00 55.97 53.33 3cfj s LYS 221 Cb -0.19 -2.97 -0.05 0.00 -1.46 0.00 0.00 37.83 33.16 3cfj s LYS 221 CO -0.01 -0.26 1.18 0.21 0.16 0.00 0.00 175.35 176.64 3cfj s LYS 222 N 1.42 4.41 -0.32 4.03 2.20 -1.26 -0.89 119.74 129.34 3cfj s LYS 222 Ca 0.04 1.70 -0.07 0.00 -0.36 0.00 0.00 55.97 57.29 3cfj s LYS 222 Cb -0.15 -3.44 0.03 0.00 -1.51 0.00 0.00 37.83 32.76 3cfj s LYS 222 CO -0.04 -0.31 0.09 0.08 -0.36 0.00 0.00 175.35 174.81 3cfj s VAL 223 N 1.48 3.86 -0.07 4.02 1.01 0.59 -4.92 120.40 126.37 3cfj s VAL 223 Ca 0.57 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3cfj s VAL 223 Cb -0.27 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 3cfj s VAL 223 CO 0.26 -0.06 0.02 -1.83 0.00 0.00 0.00 175.10 173.49 3cfj s GLU 226 N 1.45 2.99 -0.36 2.72 -1.05 -1.26 -4.37 118.70 118.82 3cfj s GLU 226 Ca 0.00 -0.42 -0.41 0.00 -0.15 0.00 0.00 54.97 53.99 3cfj s GLU 226 Cb -0.18 -2.81 -0.16 0.00 -0.44 0.00 0.00 34.13 30.54 3cfj s GLU 226 CO 0.03 0.69 1.86 -0.35 0.95 0.00 0.00 175.26 178.44 3cfj n PRO 227 N 1.94 0.79 0.00 -4.83 -0.04 -1.26 -4.37 135.00 127.23 3cfj n PRO 227 Ca -0.18 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3cfj n PRO 227 Cb 0.53 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3cfj n PRO 227 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09