#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhk s VAL 17 N 0.00 5.35 -1.16 1.39 1.01 0.10 -4.12 120.40 122.97 3dhk s VAL 17 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3dhk s VAL 17 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 3dhk s VAL 17 CO 0.00 0.40 0.00 -0.62 0.00 0.00 0.00 175.10 174.88 3dhk n GLU 18 N 3.61 -1.08 -0.28 2.72 -0.58 -1.26 -2.03 120.64 121.74 3dhk n GLU 18 Ca -0.13 0.66 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 3dhk n GLU 18 Cb 0.52 -4.91 0.00 0.00 -0.57 0.00 0.00 31.44 26.48 3dhk n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dhk n GLY 19 N -1.01 1.43 3.24 0.62 0.00 -1.26 -4.71 105.19 103.50 3dhk n GLY 19 Ca -0.16 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 3dhk n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dhk s SER 20 N -1.00 0.13 0.31 1.61 1.04 0.60 -4.89 113.70 111.49 3dhk s SER 20 Ca 0.00 -1.33 -0.29 0.00 0.48 0.00 0.00 55.95 54.81 3dhk s SER 20 Cb 0.00 0.40 -0.10 0.00 0.10 0.00 0.00 66.02 66.42 3dhk s SER 20 CO 0.00 -0.87 1.42 -1.81 0.98 0.00 0.00 173.24 172.96 3dhk s ASP 21 N -3.14 6.59 0.68 7.02 1.01 -1.26 -0.68 116.67 126.89 3dhk s ASP 21 Ca 0.37 2.79 -0.16 0.00 0.71 0.00 0.00 52.55 56.26 3dhk s ASP 21 Cb 0.06 -2.64 0.01 0.00 1.01 0.00 0.00 42.92 41.36 3dhk s ASP 21 CO 0.11 -0.71 1.17 0.00 0.21 0.00 0.00 175.17 175.96 3dhk s ALA 22 N -0.62 2.31 0.60 5.23 0.00 0.55 -4.76 121.76 125.07 3dhk s ALA 22 Ca 0.55 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 3dhk s ALA 22 Cb -0.43 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 3dhk s ALA 22 CO 0.51 -1.54 1.02 -1.21 0.00 0.00 0.00 175.76 174.55 3dhk s GLU 23 N -3.86 3.63 0.20 0.00 2.02 -1.26 -4.96 118.70 114.47 3dhk s GLU 23 Ca 0.72 0.83 -0.32 0.00 0.02 0.00 0.00 54.97 56.22 3dhk s GLU 23 Cb -0.26 -2.09 -0.11 0.00 0.10 0.00 0.00 34.13 31.77 3dhk s GLU 23 CO 0.42 -0.54 1.65 0.42 0.02 0.00 0.00 175.26 177.23 3dhk s ILE 24 N -3.01 2.25 0.00 -1.63 -1.09 -1.26 -2.14 121.20 114.31 3dhk s ILE 24 Ca 0.56 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 3dhk s ILE 24 Cb -0.11 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 3dhk s ILE 24 CO 0.48 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 3dhk n GLY 25 N 3.72 0.65 0.20 6.18 0.00 -1.26 -4.88 105.19 109.80 3dhk n GLY 25 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 3dhk n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3dhk h MET 26 N 1.79 0.00 -2.02 1.61 -1.53 -1.81 -3.35 114.93 109.61 3dhk h MET 26 Ca 0.00 0.00 -0.55 0.00 -3.44 0.00 0.00 59.70 55.71 3dhk h MET 26 Cb 0.07 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 30.73 3dhk h MET 26 CO 0.00 0.32 -1.07 0.45 0.14 0.00 0.00 176.91 176.75 3dhk n SER 27 N -3.62 0.73 0.00 1.39 2.88 -1.26 -4.99 113.62 108.76 3dhk n SER 27 Ca -0.01 -2.85 0.12 0.00 -1.33 0.00 0.00 58.87 54.81 3dhk n SER 27 Cb 0.44 -0.64 0.61 0.00 -0.75 0.00 0.00 64.21 63.88 3dhk n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3dhk n PRO 28 N 1.10 0.37 0.00 -1.46 -0.04 -1.26 -0.82 135.00 132.90 3dhk n PRO 28 Ca 0.23 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 3dhk n PRO 28 Cb 0.54 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.95 3dhk n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3dhk n TRP 29 N -1.27 0.00 -1.72 0.54 2.14 -0.86 -1.27 117.44 115.00 3dhk n TRP 29 Ca 0.12 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.26 3dhk n TRP 29 Cb 0.18 -0.15 -0.03 0.00 -0.81 0.00 0.00 31.31 30.50 3dhk n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 3dhk n GLN 30 N -0.80 2.69 -4.75 -2.67 -0.06 0.00 -0.52 117.38 111.27 3dhk n GLN 30 Ca 0.12 0.97 -0.24 0.00 -2.00 0.00 0.00 57.00 55.85 3dhk n GLN 30 Cb 0.32 -2.78 -0.15 0.00 -4.06 0.00 0.00 30.24 23.57 3dhk n GLN 30 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3dhk s VAL 31 N 0.80 1.41 -0.23 1.69 1.01 -0.04 -4.04 120.40 121.00 3dhk s VAL 31 Ca 0.72 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3dhk s VAL 31 Cb -0.52 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 3dhk s VAL 31 CO 0.38 0.32 0.09 -0.32 0.00 0.00 0.00 175.10 175.56 3dhk s MET 32 N -0.63 3.81 -0.25 2.72 1.75 -0.14 -1.37 119.30 125.19 3dhk s MET 32 Ca 0.06 -0.41 -0.25 0.00 -1.25 0.00 0.00 55.69 53.85 3dhk s MET 32 Cb -0.07 -3.34 -0.00 0.00 2.84 0.00 0.00 34.83 34.25 3dhk s MET 32 CO -0.00 -0.03 0.86 -0.51 -0.65 0.00 0.00 175.02 174.69 3dhk s LEU 33 N 1.22 4.08 -0.12 4.11 1.43 0.42 -1.00 118.68 128.82 3dhk s LEU 33 Ca 0.05 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 3dhk s LEU 33 Cb -0.14 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 42.85 3dhk s LEU 33 CO 0.04 -0.56 -0.21 0.12 0.23 0.00 0.00 176.35 175.97 3dhk s PHE 34 N 2.94 2.48 0.08 0.29 2.19 -0.56 -0.04 117.98 125.35 3dhk s PHE 34 Ca 0.36 -1.18 -0.30 0.00 0.33 0.00 0.00 56.93 56.14 3dhk s PHE 34 Cb -0.15 -1.70 -0.05 0.00 -1.31 0.00 0.00 43.02 39.81 3dhk s PHE 34 CO 0.08 -0.53 1.08 0.50 1.83 0.00 0.00 175.22 178.17 3dhk s ARG 35 N 0.73 4.55 0.13 10.12 3.52 0.47 -1.49 118.95 136.96 3dhk s ARG 35 Ca -0.10 1.60 -0.10 0.00 -0.13 0.00 0.00 55.73 57.00 3dhk s ARG 35 Cb -0.16 -3.37 -0.09 0.00 -1.56 0.00 0.00 34.95 29.77 3dhk s ARG 35 CO 0.01 -0.05 1.37 0.87 -0.81 0.00 0.00 175.30 176.69 3dhk h LYS 36 N 6.25 0.77 -1.65 5.12 1.57 -1.80 -3.00 116.57 123.82 3dhk h LYS 36 Ca -0.42 -0.57 -0.09 0.00 -1.87 0.00 0.00 60.65 57.71 3dhk h LYS 36 Cb 1.21 0.10 -0.27 0.00 0.08 0.00 0.00 32.23 33.35 3dhk h LYS 36 CO 0.76 1.18 -0.42 0.45 -0.57 0.00 0.00 179.45 180.85 3dhk s SER 36 N -7.03 -0.20 0.65 0.86 0.15 -1.26 -3.80 113.70 103.07 3dhk s SER 36 Ca -0.10 0.39 -0.13 0.00 0.70 0.00 0.00 55.95 56.81 3dhk s SER 36 Cb 0.10 1.40 -0.01 0.00 -1.71 0.00 0.00 66.02 65.79 3dhk s SER 36 CO 0.89 -0.29 1.05 -2.16 1.20 0.00 0.00 173.24 173.93 3dhk s PRO 37 N 2.63 3.14 -0.35 5.44 0.04 -1.26 -5.07 135.00 139.56 3dhk s PRO 37 Ca 0.15 1.04 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 3dhk s PRO 37 Cb -0.15 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3dhk s PRO 37 CO -0.17 -0.94 1.25 -0.65 0.04 0.00 0.00 177.00 176.52 3dhk s GLN 38 N -4.65 3.85 0.10 4.56 -0.21 -1.25 -4.59 119.66 117.47 3dhk s GLN 38 Ca 0.60 1.04 -0.25 0.00 0.02 0.00 0.00 55.36 56.76 3dhk s GLN 38 Cb -0.14 -3.88 0.07 0.00 1.00 0.00 0.00 33.01 30.05 3dhk s GLN 38 CO 0.47 -1.20 0.62 -1.83 -2.12 0.00 0.00 175.29 171.24 3dhk s GLU 39 N 4.25 1.21 0.37 2.91 -1.05 -1.13 -4.98 118.70 120.28 3dhk s GLU 39 Ca 0.53 -0.25 -0.27 0.00 -0.15 0.00 0.00 54.97 54.83 3dhk s GLU 39 Cb -0.14 0.56 -0.09 0.00 -0.44 0.00 0.00 34.13 34.02 3dhk s GLU 39 CO 0.25 -0.49 1.27 -1.17 0.95 0.00 0.00 175.26 176.07 3dhk s LEU 40 N -2.28 4.31 -0.09 1.83 2.96 -1.26 -0.39 118.68 123.75 3dhk s LEU 40 Ca -0.03 2.60 -0.01 0.00 -0.22 0.00 0.00 54.13 56.47 3dhk s LEU 40 Cb -0.01 -3.81 -0.06 0.00 0.50 0.00 0.00 46.19 42.82 3dhk s LEU 40 CO -0.06 -0.66 -0.09 0.18 -1.32 0.00 0.00 176.35 174.40 3dhk n LEU 41 N 0.44 2.42 -3.74 -0.68 4.77 0.94 -4.78 117.00 116.38 3dhk n LEU 41 Ca 0.02 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 55.97 3dhk n LEU 41 Cb 0.43 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3dhk n LEU 41 CO 0.56 0.54 0.77 0.00 -1.33 0.00 0.00 177.39 177.93 3dhk s GLY 43 N -2.95 1.78 0.03 0.00 0.00 0.87 -0.44 107.32 106.61 3dhk s GLY 43 Ca 0.13 -1.52 -0.27 0.00 0.00 0.00 0.00 44.72 43.05 3dhk s GLY 43 CO 0.01 -1.07 1.22 0.00 0.00 0.00 0.00 173.10 173.27 3dhk s ALA 44 N -3.02 -2.21 0.01 3.20 0.00 -0.47 -3.48 121.76 115.80 3dhk s ALA 44 Ca 0.63 0.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.63 3dhk s ALA 44 Cb -0.08 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 3dhk s ALA 44 CO 0.42 -1.11 0.05 -1.54 0.00 0.00 0.00 175.76 173.58 3dhk s SER 45 N -3.54 0.15 -0.30 0.00 1.04 0.08 -0.86 113.70 110.27 3dhk s SER 45 Ca 0.24 -0.38 -0.20 0.00 0.48 0.00 0.00 55.95 56.10 3dhk s SER 45 Cb -0.00 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.26 3dhk s SER 45 CO 0.00 -0.34 0.60 -0.22 0.98 0.00 0.00 173.24 174.26 3dhk s LEU 46 N -1.46 4.15 0.00 2.42 2.96 0.32 -0.43 118.68 126.65 3dhk s LEU 46 Ca -0.15 0.39 0.10 0.00 -0.22 0.00 0.00 54.13 54.25 3dhk s LEU 46 Cb -0.09 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.83 3dhk s LEU 46 CO -0.00 -0.45 0.61 2.30 -1.32 0.00 0.00 176.35 177.49 3dhk n ILE 47 N 5.37 0.00 -3.66 6.68 -5.35 -0.56 -1.32 119.36 120.51 3dhk n ILE 47 Ca -0.02 -0.40 -0.01 0.00 -0.27 0.00 0.00 62.75 62.06 3dhk n ILE 47 Cb 0.49 1.11 0.01 0.00 -1.74 0.00 0.00 39.64 39.51 3dhk n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3dhk n SER 48 N -0.29 -0.71 0.11 7.28 3.41 -1.18 -4.76 113.62 117.48 3dhk n SER 48 Ca 0.04 -1.35 0.12 0.00 -0.26 0.00 0.00 58.87 57.42 3dhk n SER 48 Cb 0.20 1.15 0.46 0.00 -0.26 0.00 0.00 64.21 65.76 3dhk n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dhk n ASP 49 N -0.84 0.62 0.00 4.04 5.68 -1.26 -3.58 116.55 121.21 3dhk n ASP 49 Ca -0.01 0.62 0.00 0.00 -0.50 0.00 0.00 54.79 54.90 3dhk n ASP 49 Cb 0.25 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 3dhk n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3dhk n ARG 50 N -2.15 1.37 -5.09 0.11 3.00 -1.26 -1.81 116.66 110.83 3dhk n ARG 50 Ca 0.03 -0.95 -0.30 0.00 -0.01 0.00 0.00 57.85 56.63 3dhk n ARG 50 Cb 0.29 -0.74 -0.16 0.00 0.00 0.00 0.00 32.46 31.85 3dhk n ARG 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 3dhk s TRP 51 N -0.46 2.19 -0.05 -1.55 0.52 -1.24 -1.09 118.94 117.27 3dhk s TRP 51 Ca 0.00 -0.71 0.06 0.00 0.02 0.00 0.00 56.10 55.47 3dhk s TRP 51 Cb 0.00 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 3dhk s TRP 51 CO 0.00 -0.25 -0.25 0.08 0.02 0.00 0.00 176.95 176.56 3dhk s VAL 52 N 0.05 2.13 -0.11 4.03 1.01 -0.28 -1.49 120.40 125.73 3dhk s VAL 52 Ca -0.07 -1.05 -0.03 0.00 0.00 0.00 0.00 61.98 60.82 3dhk s VAL 52 Cb -0.14 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3dhk s VAL 52 CO 0.04 0.57 0.01 -0.22 0.00 0.00 0.00 175.10 175.51 3dhk s LEU 53 N -0.32 3.62 0.00 3.92 2.96 0.43 -0.79 118.68 128.49 3dhk s LEU 53 Ca 0.01 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3dhk s LEU 53 Cb -0.12 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.72 3dhk s LEU 53 CO 0.02 0.32 0.10 1.07 -1.32 0.00 0.00 176.35 176.54 3dhk n THR 54 N 2.55 0.00 -3.23 3.68 5.66 -0.27 -0.74 114.28 121.93 3dhk n THR 54 Ca -0.18 -0.29 -0.39 0.00 -3.05 0.00 0.00 64.05 60.15 3dhk n THR 54 Cb 0.53 0.19 -0.06 0.00 -1.55 0.00 0.00 70.33 69.45 3dhk n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dhk s ALA 55 N -1.65 3.55 0.30 1.79 0.00 -1.26 -1.23 121.76 123.26 3dhk s ALA 55 Ca 0.05 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.08 3dhk s ALA 55 Cb -0.00 -2.70 0.55 0.00 0.00 0.00 0.00 23.12 20.97 3dhk s ALA 55 CO 0.03 0.32 1.90 0.00 0.00 0.00 0.00 175.76 178.02 3dhk h ALA 56 N 4.84 1.53 0.00 0.00 0.00 -1.69 -1.16 119.26 122.78 3dhk h ALA 56 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dhk h ALA 56 Cb 1.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dhk h ALA 56 CO 0.65 0.32 0.00 -2.39 0.00 0.00 0.00 179.25 177.83 3dhk n HIS 57 N -4.50 0.57 0.30 0.00 1.44 -1.26 -0.18 115.22 111.58 3dhk n HIS 57 Ca 0.14 0.25 0.16 0.00 -2.01 0.00 0.00 57.72 56.27 3dhk n HIS 57 Cb 0.23 -0.90 0.62 0.00 0.12 0.00 0.00 29.99 30.06 3dhk n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dhk n LEU 59 N -2.96 0.00 -3.62 0.00 4.77 0.74 -4.86 117.00 111.07 3dhk n LEU 59 Ca 0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.73 3dhk n LEU 59 Cb 0.31 0.08 -0.17 0.00 -2.33 0.00 0.00 43.42 41.32 3dhk n LEU 59 CO 0.27 0.08 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.85 3dhk s LEU 60 N -4.21 0.48 0.14 2.23 2.96 -0.06 0.03 118.68 120.25 3dhk s LEU 60 Ca -0.02 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 53.04 3dhk s LEU 60 Cb 0.01 -0.30 0.01 0.00 0.50 0.00 0.00 46.19 46.41 3dhk s LEU 60 CO 0.14 -0.36 0.34 -0.47 -1.32 0.00 0.00 176.35 174.68 3dhk s TYR 60 N 2.10 0.06 0.00 5.38 5.04 0.32 -4.15 117.35 126.10 3dhk s TYR 60 Ca 0.03 -0.43 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 3dhk s TYR 60 Cb -0.16 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.26 3dhk s TYR 60 CO -0.12 -0.70 0.00 -2.30 -1.34 0.00 0.00 175.55 171.08 3dhk n PRO 60 N -0.20 0.00 -0.36 4.97 -0.02 -1.26 -1.51 135.00 136.62 3dhk n PRO 60 Ca -0.12 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.43 3dhk n PRO 60 Cb 0.63 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 34.34 3dhk n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3dhk n TRP 60 N 0.00 0.83 -2.97 6.00 8.01 -1.26 -4.94 117.44 123.11 3dhk n TRP 60 Ca 0.00 -0.68 -0.22 0.00 -1.31 0.00 0.00 57.50 55.29 3dhk n TRP 60 Cb 0.00 -0.19 0.02 0.00 -2.01 0.00 0.00 31.31 29.14 3dhk n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3dhk n ASP 60 N 0.16 -5.71 -4.49 -0.99 8.00 -1.09 -4.96 116.55 107.46 3dhk n ASP 60 Ca 0.18 -0.25 -0.36 0.00 0.71 0.00 0.00 54.79 55.07 3dhk n ASP 60 Cb 0.70 -4.64 -0.12 0.00 -0.02 0.00 0.00 41.12 37.04 3dhk n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3dhk s LYS 60 N -5.64 3.73 -0.39 -1.24 2.20 -0.57 -4.99 119.74 112.85 3dhk s LYS 60 Ca 0.27 -0.45 0.05 0.00 -0.36 0.00 0.00 55.97 55.48 3dhk s LYS 60 Cb -0.12 -3.27 0.17 0.00 -1.51 0.00 0.00 37.83 33.09 3dhk s LYS 60 CO 0.33 -0.05 0.48 1.21 -0.36 0.00 0.00 175.35 176.95 3dhk s ASN 60 N 1.25 0.07 0.23 1.43 3.04 -1.23 0.12 114.94 119.84 3dhk s ASN 60 Ca 0.05 -1.25 -0.12 0.00 0.04 0.00 0.00 52.86 51.58 3dhk s ASN 60 Cb -0.15 1.13 -0.07 0.00 -1.54 0.00 0.00 41.25 40.62 3dhk s ASN 60 CO 0.03 -0.22 0.58 -0.36 -3.04 0.00 0.00 177.10 174.09 3dhk s PHE 60 N 1.61 3.46 0.37 0.43 0.08 0.10 -5.01 117.98 119.03 3dhk s PHE 60 Ca 0.16 0.98 0.08 0.00 0.12 0.00 0.00 56.93 58.27 3dhk s PHE 60 Cb -0.11 -2.33 -0.05 0.00 -0.57 0.00 0.00 43.02 39.96 3dhk s PHE 60 CO -0.05 0.27 0.13 -0.08 -0.10 0.00 0.00 175.22 175.39 3dhk s THR 60 N -1.77 2.60 0.22 0.64 -1.32 -1.26 -4.93 115.64 109.82 3dhk s THR 60 Ca 0.46 -1.76 -0.13 0.00 -1.21 0.00 0.00 61.69 59.05 3dhk s THR 60 Cb -0.12 -2.94 0.27 0.00 -1.51 0.00 0.00 72.50 68.19 3dhk s THR 60 CO 0.20 -0.10 1.61 -0.33 -2.21 0.00 0.00 174.62 173.78 3dhk h GLU 61 N 1.55 -0.02 0.00 7.08 3.07 -1.94 0.48 114.58 124.80 3dhk h GLU 61 Ca -0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 3dhk h GLU 61 Cb 1.25 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3dhk h GLU 61 CO 0.67 -0.02 0.00 0.09 -1.40 0.00 0.00 179.01 178.36 3dhk n ASN 62 N -5.47 0.00 0.05 1.42 4.13 -1.26 -1.23 115.26 112.89 3dhk n ASN 62 Ca 0.09 -0.16 0.13 0.00 1.68 0.00 0.00 54.58 56.31 3dhk n ASN 62 Cb 0.37 -0.20 0.34 0.00 -1.54 0.00 0.00 39.78 38.75 3dhk n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3dhk n ASP 63 N -1.20 0.54 -4.29 6.41 8.00 0.16 -4.95 116.55 121.22 3dhk n ASP 63 Ca 0.10 0.25 -0.19 0.00 0.71 0.00 0.00 54.79 55.66 3dhk n ASP 63 Cb 0.12 -0.22 -0.11 0.00 -0.02 0.00 0.00 41.12 40.89 3dhk n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dhk s LEU 64 N -3.81 2.45 0.14 0.64 1.43 -0.37 -2.47 118.68 116.69 3dhk s LEU 64 Ca 0.10 -0.87 0.09 0.00 -1.03 0.00 0.00 54.13 52.42 3dhk s LEU 64 Cb 0.15 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 3dhk s LEU 64 CO 0.64 -0.11 -0.22 -0.76 0.23 0.00 0.00 176.35 176.13 3dhk s LEU 65 N -2.70 2.36 -0.21 1.79 1.43 -0.56 -4.34 118.68 116.45 3dhk s LEU 65 Ca 0.14 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.40 3dhk s LEU 65 Cb -0.04 -0.99 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 3dhk s LEU 65 CO 0.05 0.07 0.04 -0.69 0.23 0.00 0.00 176.35 176.05 3dhk s VAL 66 N -1.45 4.34 -0.20 -1.59 1.01 -0.31 -1.50 120.40 120.70 3dhk s VAL 66 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 3dhk s VAL 66 Cb -0.09 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.31 3dhk s VAL 66 CO 0.06 0.41 -0.08 -0.13 0.00 0.00 0.00 175.10 175.35 3dhk s ARG 67 N 1.00 3.31 0.07 2.72 0.52 -0.17 0.60 118.95 127.00 3dhk s ARG 67 Ca 0.03 -0.67 0.08 0.00 -0.52 0.00 0.00 55.73 54.65 3dhk s ARG 67 Cb -0.14 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.42 3dhk s ARG 67 CO 0.03 -0.13 -0.22 0.42 0.02 0.00 0.00 175.30 175.42 3dhk s ILE 68 N 1.26 1.76 0.00 1.52 1.01 0.24 -0.97 121.20 126.03 3dhk s ILE 68 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 60.65 59.31 3dhk s ILE 68 Cb -0.14 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.77 3dhk s ILE 68 CO -0.04 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.63 3dhk n GLY 69 N 1.52 0.61 3.88 6.18 0.00 -1.26 -0.74 105.19 115.38 3dhk n GLY 69 Ca -0.18 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 3dhk n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhk s LYS 70 N -0.42 3.67 0.04 1.61 1.02 -1.26 -4.32 119.74 120.08 3dhk s LYS 70 Ca 0.00 0.53 0.00 0.00 0.02 0.00 0.00 55.97 56.52 3dhk s LYS 70 Cb 0.00 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 3dhk s LYS 70 CO 0.00 -0.28 0.00 1.58 -0.92 0.00 0.00 175.35 175.73 3dhk n HIS 71 N -2.09 -0.22 -1.74 3.18 -0.00 -1.26 -4.93 115.22 108.16 3dhk n HIS 71 Ca 0.03 0.04 -0.42 0.00 -0.00 0.00 0.00 57.72 57.37 3dhk n HIS 71 Cb 0.54 0.19 -0.01 0.00 -0.00 0.00 0.00 29.99 30.71 3dhk n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3dhk n SER 72 N -2.73 3.48 0.11 0.26 2.88 -1.26 -0.84 113.62 115.51 3dhk n SER 72 Ca 0.00 1.20 -0.13 0.00 -1.33 0.00 0.00 58.87 58.61 3dhk n SER 72 Cb 0.00 -1.57 -0.08 0.00 -0.75 0.00 0.00 64.21 61.81 3dhk n SER 72 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3dhk h ARG 73 N 3.25 -0.25 0.00 -1.46 2.43 -1.38 -3.39 114.38 113.57 3dhk h ARG 73 Ca -0.48 0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.40 3dhk h ARG 73 Cb 1.25 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 3dhk h ARG 73 CO 0.67 0.04 -2.28 0.25 -1.51 0.00 0.00 179.97 177.14 3dhk n THR 74 N -5.08 1.15 -2.08 0.20 -2.24 -1.26 -4.99 114.28 99.98 3dhk n THR 74 Ca -0.09 -0.79 -0.37 0.00 -2.27 0.00 0.00 64.05 60.53 3dhk n THR 74 Cb 0.22 -0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.06 3dhk n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dhk s ARG 75 N -2.68 3.44 -0.21 -0.78 3.00 -1.26 -4.98 118.95 115.47 3dhk s ARG 75 Ca -0.09 1.92 -0.24 0.00 0.00 0.00 0.00 55.73 57.32 3dhk s ARG 75 Cb 0.08 -2.28 -0.01 0.00 0.00 0.00 0.00 34.95 32.74 3dhk s ARG 75 CO 0.84 -0.85 0.77 -0.47 0.00 0.00 0.00 175.30 175.59 3dhk s TYR 76 N -1.49 3.35 -1.06 -0.53 5.04 -1.26 -4.91 117.35 116.50 3dhk s TYR 76 Ca 0.68 1.10 -0.06 0.00 -2.44 0.00 0.00 57.07 56.35 3dhk s TYR 76 Cb -0.32 -2.97 0.27 0.00 0.35 0.00 0.00 41.96 39.29 3dhk s TYR 76 CO 0.38 -0.30 1.13 0.39 -1.34 0.00 0.00 175.55 175.81 3dhk n GLU 77 N 5.56 3.56 -1.63 4.97 1.02 -1.26 -5.00 120.64 127.86 3dhk n GLU 77 Ca 0.03 -4.49 -0.49 0.00 -0.02 0.00 0.00 57.16 52.19 3dhk n GLU 77 Cb 0.48 -2.51 -0.05 0.00 -0.02 0.00 0.00 31.44 29.34 3dhk n GLU 77 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3dhk n ARG 77 N 2.27 1.62 -0.94 3.49 0.63 -1.26 -0.82 116.66 121.65 3dhk n ARG 77 Ca 0.24 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 3dhk n ARG 77 Cb 0.37 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.00 3dhk n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3dhk n ASN 78 N 2.92 -2.20 0.09 6.15 4.13 -1.26 -4.75 115.26 120.35 3dhk n ASN 78 Ca 0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.44 3dhk n ASN 78 Cb 0.24 -1.09 0.00 0.00 -1.54 0.00 0.00 39.78 37.38 3dhk n ASN 78 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3dhk n ILE 79 N -2.40 0.47 -1.52 2.41 5.41 -0.06 -5.06 119.36 118.61 3dhk n ILE 79 Ca 0.00 0.16 -0.33 0.00 1.00 0.00 0.00 62.75 63.58 3dhk n ILE 79 Cb 0.08 -0.91 0.07 0.00 -0.71 0.00 0.00 39.64 38.18 3dhk n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3dhk s GLU 80 N -1.87 2.42 -0.01 0.38 -1.05 -0.00 -4.77 118.70 113.78 3dhk s GLU 80 Ca 0.00 1.46 0.05 0.00 -0.15 0.00 0.00 54.97 56.33 3dhk s GLU 80 Cb 0.00 -1.90 -0.01 0.00 -0.44 0.00 0.00 34.13 31.78 3dhk s GLU 80 CO 0.00 -1.56 -0.16 0.15 0.95 0.00 0.00 175.26 174.64 3dhk s LYS 81 N -4.22 1.32 -0.12 -4.83 -0.14 0.08 -4.89 119.74 106.94 3dhk s LYS 81 Ca 0.68 -0.57 0.01 0.00 -1.36 0.00 0.00 55.97 54.73 3dhk s LYS 81 Cb -0.22 -1.27 -0.01 0.00 -1.68 0.00 0.00 37.83 34.65 3dhk s LYS 81 CO 0.46 0.34 -0.17 0.42 -0.76 0.00 0.00 175.35 175.64 3dhk s ILE 82 N -0.35 2.69 0.17 2.17 1.01 -1.26 -0.59 121.20 125.04 3dhk s ILE 82 Ca 0.06 -0.79 0.09 0.00 0.00 0.00 0.00 60.65 60.00 3dhk s ILE 82 Cb -0.06 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3dhk s ILE 82 CO -0.00 0.53 -0.18 -0.44 0.00 0.00 0.00 174.94 174.85 3dhk s SER 83 N 0.42 2.70 0.30 3.58 0.01 0.20 -4.95 113.70 115.96 3dhk s SER 83 Ca -0.13 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 56.30 3dhk s SER 83 Cb -0.16 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 3dhk s SER 83 CO 0.06 -0.04 0.46 -0.04 0.41 0.00 0.00 173.24 174.09 3dhk s MET 84 N -2.85 3.35 -0.18 12.44 1.00 -1.26 -1.16 119.30 130.65 3dhk s MET 84 Ca 0.16 -0.69 -0.10 0.00 0.00 0.00 0.00 55.69 55.06 3dhk s MET 84 Cb -0.05 -2.79 -0.05 0.00 0.00 0.00 0.00 34.83 31.94 3dhk s MET 84 CO 0.07 0.22 0.16 -0.51 0.00 0.00 0.00 175.02 174.96 3dhk s LEU 85 N -4.15 4.25 -0.09 -0.03 2.01 -1.26 -1.77 118.68 117.64 3dhk s LEU 85 Ca 0.39 0.33 -0.22 0.00 0.01 0.00 0.00 54.13 54.64 3dhk s LEU 85 Cb -0.09 -2.14 -0.28 0.00 0.01 0.00 0.00 46.19 43.69 3dhk s LEU 85 CO 0.32 0.21 0.73 -0.08 1.01 0.00 0.00 176.35 178.54 3dhk h GLU 86 N 6.34 0.20 -2.01 1.70 4.81 -1.34 -3.44 114.58 120.84 3dhk h GLU 86 Ca -0.44 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 58.41 3dhk h GLU 86 Cb 1.17 0.13 -0.21 0.00 0.63 0.00 0.00 28.75 30.47 3dhk h GLU 86 CO 0.73 1.17 0.12 0.21 -0.73 0.00 0.00 179.01 180.50 3dhk s LYS 87 N -2.39 0.83 -0.14 1.92 2.47 -1.02 -4.99 119.74 116.43 3dhk s LYS 87 Ca -0.17 1.00 -0.07 0.00 -1.56 0.00 0.00 55.97 55.16 3dhk s LYS 87 Cb 0.01 0.40 -0.04 0.00 -1.46 0.00 0.00 37.83 36.75 3dhk s LYS 87 CO 0.77 -0.10 0.11 0.42 0.16 0.00 0.00 175.35 176.71 3dhk s ILE 88 N 0.40 5.27 -0.17 5.43 1.01 -1.26 -0.18 121.20 131.70 3dhk s ILE 88 Ca -0.00 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3dhk s ILE 88 Cb -0.05 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.13 3dhk s ILE 88 CO 0.01 0.56 -0.12 -0.31 0.00 0.00 0.00 174.94 175.09 3dhk s TYR 89 N -0.57 2.18 -0.03 3.97 1.51 0.71 -5.01 117.35 120.11 3dhk s TYR 89 Ca 0.12 -1.32 0.00 0.00 -1.01 0.00 0.00 57.07 54.87 3dhk s TYR 89 Cb -0.12 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.13 3dhk s TYR 89 CO 0.02 -0.68 0.00 0.42 -1.11 0.00 0.00 175.55 174.20 3dhk s ILE 90 N 1.48 4.23 0.06 2.71 1.01 -1.26 -0.72 121.20 128.71 3dhk s ILE 90 Ca 0.02 -0.47 -0.35 0.00 0.00 0.00 0.00 60.65 59.85 3dhk s ILE 90 Cb -0.14 -2.85 -0.14 0.00 0.01 0.00 0.00 42.46 39.34 3dhk s ILE 90 CO -0.09 0.45 1.61 1.57 0.00 0.00 0.00 174.94 178.48 3dhk n HIS 91 N 1.64 2.13 0.29 3.97 -0.00 -1.09 -4.83 115.22 117.32 3dhk n HIS 91 Ca -0.16 0.30 0.19 0.00 -0.00 0.00 0.00 57.72 58.05 3dhk n HIS 91 Cb 0.53 -2.52 0.99 0.00 -0.00 0.00 0.00 29.99 28.99 3dhk n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3dhk h PRO 92 N 6.48 0.00 -0.07 1.57 0.13 -1.94 -1.70 132.00 136.48 3dhk h PRO 92 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3dhk h PRO 92 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 3dhk h PRO 92 CO 0.89 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.20 3dhk n ARG 93 N -2.82 2.36 -1.68 0.86 1.74 -1.26 -5.00 116.66 110.86 3dhk n ARG 93 Ca -0.02 -2.09 -0.52 0.00 -0.77 0.00 0.00 57.85 54.45 3dhk n ARG 93 Cb 0.08 -1.30 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 3dhk n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3dhk n TYR 94 N -0.72 2.10 -3.44 -1.55 9.36 -0.64 -4.74 117.16 117.53 3dhk n TYR 94 Ca 0.09 0.32 -0.43 0.00 3.32 0.00 0.00 57.90 61.21 3dhk n TYR 94 Cb 0.48 -2.52 -0.03 0.00 -0.63 0.00 0.00 39.34 36.63 3dhk n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3dhk s ASN 95 N 2.92 6.65 0.25 2.98 3.84 -0.18 -4.83 114.94 126.57 3dhk s ASN 95 Ca 0.92 -3.25 0.25 0.00 0.21 0.00 0.00 52.86 50.99 3dhk s ASN 95 Cb -0.87 -2.11 0.86 0.00 -0.55 0.00 0.00 41.25 38.58 3dhk s ASN 95 CO 0.54 -0.37 1.76 4.11 -2.79 0.00 0.00 177.10 180.35 3dhk h TRP 96 N 6.93 0.00 -0.04 0.43 5.08 -1.91 0.35 115.95 126.79 3dhk h TRP 96 Ca 0.13 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.89 3dhk h TRP 96 Cb 0.92 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 3dhk h TRP 96 CO 0.84 0.00 -0.86 0.00 -1.28 0.00 0.00 178.44 177.13 3dhk h ARG 97 N 0.00 0.47 0.00 0.12 3.08 -1.99 -3.44 114.38 112.61 3dhk h ARG 97 Ca 0.00 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3dhk h ARG 97 Cb 0.63 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3dhk h ARG 97 CO 0.00 1.09 -0.05 -1.91 -1.07 0.00 0.00 179.97 178.03 3dhk n GLU 97 N -3.80 0.03 -0.05 0.04 2.13 -1.25 -4.99 120.64 112.75 3dhk n GLU 97 Ca -0.06 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.77 3dhk n GLU 97 Cb 0.79 -0.27 0.00 0.00 0.27 0.00 0.00 31.44 32.23 3dhk n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 3dhk n ASN 98 N -2.89 0.56 -1.26 4.31 0.23 -1.23 -4.98 115.26 110.00 3dhk n ASN 98 Ca -0.01 -1.40 -0.14 0.00 -0.53 0.00 0.00 54.58 52.51 3dhk n ASN 98 Cb 0.03 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 3dhk n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 3dhk n LEU 99 N -0.17 -1.25 -4.68 -4.53 4.32 0.12 -4.96 117.00 105.86 3dhk n LEU 99 Ca 0.01 0.21 -0.44 0.00 -0.02 0.00 0.00 56.01 55.76 3dhk n LEU 99 Cb 0.46 -2.10 -0.02 0.00 -1.62 0.00 0.00 43.42 40.14 3dhk n LEU 99 CO 0.00 -0.51 1.00 -0.67 -1.22 0.00 0.00 177.39 175.99 3dhk n ASP 100 N -0.40 2.79 -3.21 -1.43 2.03 -1.23 -2.57 116.55 112.53 3dhk n ASP 100 Ca -0.15 1.15 -0.16 0.00 0.52 0.00 0.00 54.79 56.15 3dhk n ASP 100 Cb 0.52 -1.44 0.08 0.00 -0.72 0.00 0.00 41.12 39.56 3dhk n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3dhk n ARG 101 N 1.78 -6.11 -2.37 -0.67 1.74 -1.26 -1.01 116.66 108.75 3dhk n ARG 101 Ca 0.10 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.53 3dhk n ARG 101 Cb 0.32 -5.55 -0.00 0.00 -1.02 0.00 0.00 32.46 26.21 3dhk n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dhk n ASP 102 N -2.89 4.64 -3.76 0.55 2.03 -1.06 -4.26 116.55 111.80 3dhk n ASP 102 Ca -0.24 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.05 3dhk n ASP 102 Cb 0.64 -1.73 -0.09 0.00 -0.72 0.00 0.00 41.12 39.23 3dhk n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3dhk s ILE 103 N 4.21 0.04 -0.03 5.18 2.07 -1.26 -3.74 121.20 127.66 3dhk s ILE 103 Ca 0.53 -0.33 -0.16 0.00 -1.41 0.00 0.00 60.65 59.28 3dhk s ILE 103 Cb 0.06 -0.57 0.03 0.00 0.13 0.00 0.00 42.46 42.10 3dhk s ILE 103 CO 0.05 -0.18 0.34 0.00 -1.91 0.00 0.00 174.94 173.24 3dhk s ALA 104 N -0.87 -0.86 0.08 1.50 0.00 -0.36 -2.67 121.76 118.58 3dhk s ALA 104 Ca -0.09 0.48 0.07 0.00 0.00 0.00 0.00 51.96 52.41 3dhk s ALA 104 Cb -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 3dhk s ALA 104 CO 0.03 -0.26 -0.11 -0.51 0.00 0.00 0.00 175.76 174.91 3dhk s LEU 105 N -1.12 2.98 -0.12 0.00 1.43 0.11 -1.11 118.68 120.84 3dhk s LEU 105 Ca -0.12 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 3dhk s LEU 105 Cb -0.05 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3dhk s LEU 105 CO 0.04 0.20 -0.12 -0.04 0.23 0.00 0.00 176.35 176.66 3dhk s MET 106 N -1.98 2.00 -0.09 1.70 -1.94 0.03 -0.21 119.30 118.81 3dhk s MET 106 Ca 0.20 -0.46 -0.17 0.00 -1.71 0.00 0.00 55.69 53.54 3dhk s MET 106 Cb -0.11 -1.83 -0.05 0.00 2.01 0.00 0.00 34.83 34.85 3dhk s MET 106 CO 0.11 -0.17 0.46 0.21 -0.01 0.00 0.00 175.02 175.62 3dhk s LYS 107 N 1.34 4.26 0.24 2.03 2.20 0.75 -1.13 119.74 129.43 3dhk s LYS 107 Ca 0.00 0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.89 3dhk s LYS 107 Cb -0.14 -3.39 -0.08 0.00 -1.51 0.00 0.00 37.83 32.72 3dhk s LYS 107 CO -0.06 0.28 0.69 -0.51 -0.36 0.00 0.00 175.35 175.39 3dhk s LEU 108 N 0.21 4.25 0.20 5.43 1.43 -0.25 -1.06 118.68 128.90 3dhk s LEU 108 Ca 0.25 1.29 -0.11 0.00 -1.03 0.00 0.00 54.13 54.54 3dhk s LEU 108 Cb -0.16 -3.68 0.18 0.00 0.03 0.00 0.00 46.19 42.57 3dhk s LEU 108 CO 0.11 -0.03 1.84 0.11 0.23 0.00 0.00 176.35 178.61 3dhk h LYS 109 N 3.06 0.76 -5.84 1.70 1.57 -1.64 -3.42 116.57 112.77 3dhk h LYS 109 Ca -0.48 -0.05 -0.51 0.00 -1.87 0.00 0.00 60.65 57.75 3dhk h LYS 109 Cb 1.19 -0.17 -0.22 0.00 0.08 0.00 0.00 32.23 33.10 3dhk h LYS 109 CO 0.66 0.51 -0.81 0.15 -0.57 0.00 0.00 179.45 179.38 3dhk s LYS 110 N -6.12 1.04 0.52 3.15 1.02 -1.26 -4.98 119.74 113.11 3dhk s LYS 110 Ca -0.13 -1.05 -0.21 0.00 0.02 0.00 0.00 55.97 54.60 3dhk s LYS 110 Cb 0.15 -1.19 -0.06 0.00 -0.52 0.00 0.00 37.83 36.21 3dhk s LYS 110 CO 0.76 0.28 1.21 -2.14 -0.92 0.00 0.00 175.35 174.54 3dhk s PRO 111 N -1.73 3.39 -0.02 -1.68 0.02 -1.26 -4.88 135.00 128.84 3dhk s PRO 111 Ca 0.04 1.85 -0.07 0.00 0.02 0.00 0.00 61.00 62.84 3dhk s PRO 111 Cb -0.10 -2.20 -0.05 0.00 0.02 0.00 0.00 34.50 32.17 3dhk s PRO 111 CO 0.03 -0.87 0.25 0.54 -0.33 0.00 0.00 177.00 176.62 3dhk s VAL 112 N -1.54 5.33 -0.06 3.83 0.11 -0.75 -5.04 120.40 122.28 3dhk s VAL 112 Ca 0.70 0.20 -0.29 0.00 -2.93 0.00 0.00 61.98 59.66 3dhk s VAL 112 Cb -0.31 -3.55 -0.02 0.00 -1.53 0.00 0.00 36.38 30.98 3dhk s VAL 112 CO 0.36 0.42 0.97 0.00 -3.33 0.00 0.00 175.10 173.52 3dhk s ALA 113 N -1.24 3.29 0.64 1.54 0.00 -1.26 -4.84 121.76 119.89 3dhk s ALA 113 Ca 0.25 0.43 -0.15 0.00 0.00 0.00 0.00 51.96 52.49 3dhk s ALA 113 Cb -0.13 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 3dhk s ALA 113 CO 0.14 -0.41 1.08 -0.06 0.00 0.00 0.00 175.76 176.51 3dhk s PHE 114 N 1.50 2.84 0.11 0.00 0.08 -1.26 -4.88 117.98 116.37 3dhk s PHE 114 Ca 0.49 1.52 -0.04 0.00 0.12 0.00 0.00 56.93 59.02 3dhk s PHE 114 Cb -0.19 -3.06 0.02 0.00 -0.57 0.00 0.00 43.02 39.22 3dhk s PHE 114 CO 0.22 -1.38 0.23 -1.13 -0.10 0.00 0.00 175.22 173.07 3dhk n SER 115 N -2.36 -0.65 0.28 1.36 3.41 -0.29 -4.95 113.62 110.42 3dhk n SER 115 Ca 0.09 -1.45 0.14 0.00 -0.26 0.00 0.00 58.87 57.39 3dhk n SER 115 Cb 0.53 1.09 0.82 0.00 -0.26 0.00 0.00 64.21 66.39 3dhk n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dhk h ASP 116 N 0.57 0.00 -0.01 4.04 3.32 -1.99 -2.79 116.42 119.56 3dhk h ASP 116 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3dhk h ASP 116 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3dhk h ASP 116 CO 0.12 0.06 -0.22 -1.22 -1.72 0.00 0.00 179.24 176.26 3dhk n TYR 117 N -3.74 0.00 -3.79 4.55 4.01 -1.26 -4.76 117.16 112.17 3dhk n TYR 117 Ca -0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 3dhk n TYR 117 Cb 0.16 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.02 3dhk n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3dhk s ILE 118 N -1.51 0.57 -0.25 -0.72 1.01 -1.05 -4.01 121.20 115.24 3dhk s ILE 118 Ca 0.11 -0.22 -0.26 0.00 0.00 0.00 0.00 60.65 60.29 3dhk s ILE 118 Cb 0.10 -0.83 0.09 0.00 0.01 0.00 0.00 42.46 41.84 3dhk s ILE 118 CO 0.29 0.11 0.83 -2.28 0.00 0.00 0.00 174.94 173.90 3dhk s HIS 119 N 1.87 -0.65 0.41 3.97 2.46 -0.39 -1.13 115.29 121.82 3dhk s HIS 119 Ca 0.03 1.54 -0.22 0.00 0.47 0.00 0.00 55.06 56.88 3dhk s HIS 119 Cb -0.14 0.32 -0.11 0.00 -0.13 0.00 0.00 32.58 32.52 3dhk s HIS 119 CO -0.07 -0.35 0.96 -1.25 -2.47 0.00 0.00 174.74 171.56 3dhk s PRO 120 N 0.13 4.28 0.38 2.88 0.04 -1.26 -2.04 135.00 139.41 3dhk s PRO 120 Ca 0.00 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.20 3dhk s PRO 120 Cb -0.04 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 3dhk s PRO 120 CO -0.01 0.01 0.64 0.54 0.04 0.00 0.00 177.00 178.23 3dhk s VAL 121 N -2.02 5.00 0.46 -0.36 0.11 -0.44 -4.90 120.40 118.26 3dhk s VAL 121 Ca 0.60 -0.04 -0.10 0.00 -2.93 0.00 0.00 61.98 59.50 3dhk s VAL 121 Cb -0.12 -3.82 -0.06 0.00 -1.53 0.00 0.00 36.38 30.85 3dhk s VAL 121 CO 0.16 -0.60 0.83 0.00 -3.33 0.00 0.00 175.10 172.17 3dhk s LEU 123 N -4.27 3.41 0.40 0.00 1.43 -1.26 -0.24 118.68 118.13 3dhk s LEU 123 Ca 0.52 0.01 -0.25 0.00 -1.03 0.00 0.00 54.13 53.37 3dhk s LEU 123 Cb -0.10 -1.87 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 3dhk s LEU 123 CO 0.38 0.32 1.14 -2.16 0.23 0.00 0.00 176.35 176.26 3dhk s PRO 124 N -1.22 4.09 0.56 1.29 0.04 -1.26 -4.93 135.00 133.56 3dhk s PRO 124 Ca 0.16 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.98 3dhk s PRO 124 Cb -0.11 -2.66 0.03 0.00 0.04 0.00 0.00 34.50 31.79 3dhk s PRO 124 CO 0.06 -0.27 0.79 0.16 0.04 0.00 0.00 177.00 177.78 3dhk s ASP 125 N -1.21 5.29 0.44 6.66 1.47 -1.26 -4.84 116.67 123.22 3dhk s ASP 125 Ca 0.57 0.08 0.18 0.00 1.18 0.00 0.00 52.55 54.56 3dhk s ASP 125 Cb -0.29 -0.98 1.13 0.00 -0.34 0.00 0.00 42.92 42.44 3dhk s ASP 125 CO 0.36 -1.15 1.91 -0.09 0.68 0.00 0.00 175.17 176.88 3dhk h ARG 126 N 0.03 0.33 0.10 2.11 2.43 -1.97 -2.63 114.38 114.77 3dhk h ARG 126 Ca -0.43 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 58.46 3dhk h ARG 126 Cb 1.29 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 3dhk h ARG 126 CO 0.54 0.22 -1.25 0.93 -1.51 0.00 0.00 179.97 178.90 3dhk h GLU 127 N 0.34 0.21 -1.06 0.20 3.07 -2.03 -0.90 114.58 114.40 3dhk h GLU 127 Ca 0.39 -0.36 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3dhk h GLU 127 Cb 1.03 0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3dhk h GLU 127 CO -0.12 1.14 0.00 2.41 -1.40 0.00 0.00 179.01 181.05 3dhk n THR 128 N -3.47 0.12 0.00 1.13 -1.04 -0.99 -1.15 114.28 108.87 3dhk n THR 128 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 3dhk n THR 128 Cb 1.01 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 3dhk n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dhk n ALA 129 N 0.66 0.00 0.05 2.41 0.00 -0.34 -1.05 120.51 122.24 3dhk n ALA 129 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3dhk n ALA 129 Cb 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.47 3dhk n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dhk h SER 129 N 0.00 0.72 0.34 0.00 0.87 -1.39 -3.38 113.55 110.71 3dhk h SER 129 Ca 0.00 -0.56 -0.24 0.00 -1.23 0.00 0.00 61.79 59.76 3dhk h SER 129 Cb 0.00 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.70 3dhk h SER 129 CO 0.00 1.35 -1.87 0.18 -0.53 0.00 0.00 176.83 175.96 3dhk n LEU 129 N -3.81 0.47 -4.25 2.23 4.77 -0.21 -4.60 117.00 111.60 3dhk n LEU 129 Ca -0.08 0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 3dhk n LEU 129 Cb 0.84 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 3dhk n LEU 129 CO 0.53 0.29 1.89 0.18 -1.33 0.00 0.00 177.39 178.96 3dhk n LEU 130 N -2.80 5.71 -4.18 2.23 4.77 -1.26 -4.79 117.00 116.69 3dhk n LEU 130 Ca -0.18 -4.29 -0.25 0.00 -0.03 0.00 0.00 56.01 51.25 3dhk n LEU 130 Cb 0.96 -1.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.26 3dhk n LEU 130 CO 0.44 0.76 -0.51 -1.10 -1.33 0.00 0.00 177.39 175.65 3dhk s GLN 131 N 2.34 1.47 0.25 3.23 -0.21 -1.26 -4.97 119.66 120.51 3dhk s GLN 131 Ca 0.46 -0.67 -0.31 0.00 0.02 0.00 0.00 55.36 54.87 3dhk s GLN 131 Cb 0.04 -1.43 -0.14 0.00 1.00 0.00 0.00 33.01 32.49 3dhk s GLN 131 CO 0.01 0.39 1.31 0.00 -2.12 0.00 0.00 175.29 174.89 3dhk n ALA 132 N 2.59 0.74 0.00 6.09 0.00 -1.26 -1.22 120.51 127.45 3dhk n ALA 132 Ca -0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3dhk n ALA 132 Cb 0.54 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3dhk n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhk n GLY 133 N 1.82 2.87 3.74 0.00 0.00 0.06 -4.93 105.19 108.75 3dhk n GLY 133 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3dhk n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhk s TYR 134 N -2.23 3.13 0.03 1.61 1.51 -0.36 -4.59 117.35 116.45 3dhk s TYR 134 Ca 0.00 1.12 -0.10 0.00 -1.01 0.00 0.00 57.07 57.08 3dhk s TYR 134 Cb 0.00 -3.72 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 3dhk s TYR 134 CO 0.00 -2.30 0.35 0.15 -1.11 0.00 0.00 175.55 172.64 3dhk s LYS 135 N -0.24 3.73 0.43 -0.62 1.02 -1.26 -0.35 119.74 122.44 3dhk s LYS 135 Ca 0.58 0.15 0.01 0.00 0.02 0.00 0.00 55.97 56.73 3dhk s LYS 135 Cb -0.39 -3.09 0.01 0.00 -0.52 0.00 0.00 37.83 33.84 3dhk s LYS 135 CO 0.41 0.63 0.10 0.41 -0.92 0.00 0.00 175.35 175.98 3dhk n GLY 136 N 1.26 3.42 3.09 -3.33 0.00 0.24 -4.83 105.19 105.04 3dhk n GLY 136 Ca -0.11 -2.32 -0.27 0.00 0.00 0.00 0.00 46.02 43.31 3dhk n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dhk s ARG 137 N -3.60 2.17 0.07 1.61 3.52 0.24 -0.50 118.95 122.47 3dhk s ARG 137 Ca 0.08 -0.57 0.07 0.00 -0.13 0.00 0.00 55.73 55.17 3dhk s ARG 137 Cb -0.01 -1.74 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 3dhk s ARG 137 CO 0.05 0.06 -0.19 0.14 -0.81 0.00 0.00 175.30 174.55 3dhk s VAL 138 N 0.61 1.51 0.07 7.11 -7.23 0.60 -0.84 120.40 122.23 3dhk s VAL 138 Ca -0.15 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 3dhk s VAL 138 Cb -0.16 -1.36 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 3dhk s VAL 138 CO 0.05 0.01 -0.16 0.42 -0.31 0.00 0.00 175.10 175.10 3dhk s THR 139 N -1.01 1.31 0.00 5.32 -4.23 -1.24 -1.62 115.64 114.17 3dhk s THR 139 Ca 0.05 -1.26 0.00 0.00 -1.18 0.00 0.00 61.69 59.29 3dhk s THR 139 Cb -0.09 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.54 3dhk s THR 139 CO 0.03 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 3dhk n GLY 140 N 1.47 0.33 1.25 3.99 0.00 -0.67 -4.53 105.19 107.03 3dhk n GLY 140 Ca -0.19 -0.84 0.08 0.00 0.00 0.00 0.00 46.02 45.07 3dhk n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dhk n TRP 141 N -0.03 1.34 -1.33 1.61 8.01 -1.26 -1.70 117.44 124.08 3dhk n TRP 141 Ca 0.00 -0.81 -0.11 0.00 -1.31 0.00 0.00 57.50 55.27 3dhk n TRP 141 Cb 0.00 -0.37 0.08 0.00 -2.01 0.00 0.00 31.31 29.00 3dhk n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3dhk n GLY 142 N -0.04 -1.30 3.69 6.99 0.00 -1.26 -4.53 105.19 108.75 3dhk n GLY 142 Ca 0.23 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 3dhk n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dhk n ASN 143 N -3.33 2.13 0.00 1.61 3.02 -0.08 -2.55 115.26 116.06 3dhk n ASN 143 Ca 0.06 1.00 0.14 0.00 -0.03 0.00 0.00 54.58 55.75 3dhk n ASN 143 Cb 0.22 -1.49 0.55 0.00 -0.61 0.00 0.00 39.78 38.45 3dhk n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dhk n LEU 144 N -0.36 0.11 -3.57 3.41 4.77 -0.56 -0.89 117.00 119.92 3dhk n LEU 144 Ca 0.09 0.42 -0.08 0.00 -0.03 0.00 0.00 56.01 56.42 3dhk n LEU 144 Cb 0.43 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3dhk n LEU 144 CO 0.55 0.01 0.60 -1.59 -1.33 0.00 0.00 177.39 175.63 3dhk s LYS 145 N -3.01 1.11 0.00 3.23 -2.85 -1.26 -4.32 119.74 112.64 3dhk s LYS 145 Ca 0.13 -0.49 0.00 0.00 -1.00 0.00 0.00 55.97 54.62 3dhk s LYS 145 Cb 0.18 0.46 0.00 0.00 -2.06 0.00 0.00 37.83 36.42 3dhk s LYS 145 CO 0.56 -0.50 0.50 -1.91 0.10 0.00 0.00 175.35 174.11 3dhk n GLU 146 N -0.35 0.55 0.00 1.78 2.13 -1.26 -4.95 120.64 118.54 3dhk n GLU 146 Ca -0.10 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.72 3dhk n GLU 146 Cb 0.62 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 31.10 3dhk n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dhk n GLY 150 N 0.65 0.13 3.59 8.31 0.00 -1.26 -5.08 105.19 111.52 3dhk n GLY 150 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3dhk n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dhk s GLN 151 N 1.58 2.26 0.47 1.61 1.11 -1.26 -1.49 119.66 123.94 3dhk s GLN 151 Ca 0.00 -0.94 -0.12 0.00 0.01 0.00 0.00 55.36 54.31 3dhk s GLN 151 Cb 0.00 -2.37 -0.06 0.00 -1.01 0.00 0.00 33.01 29.57 3dhk s GLN 151 CO 0.00 0.53 0.86 -1.25 0.01 0.00 0.00 175.29 175.45 3dhk s PRO 152 N -2.03 3.79 0.17 2.91 0.04 -1.26 -4.94 135.00 133.68 3dhk s PRO 152 Ca 0.21 0.62 0.06 0.00 0.04 0.00 0.00 61.00 61.92 3dhk s PRO 152 Cb -0.11 -2.28 0.01 0.00 0.04 0.00 0.00 34.50 32.16 3dhk s PRO 152 CO 0.13 -0.18 1.40 1.03 0.04 0.00 0.00 177.00 179.41 3dhk h SER 153 N 0.88 0.11 -5.21 6.66 0.87 -1.97 -3.42 113.55 111.48 3dhk h SER 153 Ca -0.47 -0.10 -0.24 0.00 -1.23 0.00 0.00 61.79 59.76 3dhk h SER 153 Cb 1.19 -0.04 -0.15 0.00 -0.44 0.00 0.00 62.40 62.96 3dhk h SER 153 CO 0.63 0.92 -0.64 0.68 -0.53 0.00 0.00 176.83 177.89 3dhk s VAL 154 N -3.13 0.22 0.05 2.23 -7.23 -1.26 -1.16 120.40 110.12 3dhk s VAL 154 Ca -0.01 -1.96 -0.38 0.00 -1.81 0.00 0.00 61.98 57.82 3dhk s VAL 154 Cb 0.11 -2.28 -0.18 0.00 0.56 0.00 0.00 36.38 34.59 3dhk s VAL 154 CO 0.81 -0.26 1.21 -0.11 -0.31 0.00 0.00 175.10 176.44 3dhk n LEU 155 N -0.22 0.90 -4.86 1.32 7.94 -0.02 -4.82 117.00 117.23 3dhk n LEU 155 Ca -0.03 1.14 -0.26 0.00 -1.11 0.00 0.00 56.01 55.75 3dhk n LEU 155 Cb 0.65 -1.07 -0.04 0.00 0.53 0.00 0.00 43.42 43.48 3dhk n LEU 155 CO 0.33 -1.44 -0.16 -1.10 -1.11 0.00 0.00 177.39 173.90 3dhk s GLN 156 N 0.24 3.15 0.03 1.96 -1.52 -0.69 -0.33 119.66 122.50 3dhk s GLN 156 Ca 0.87 -0.74 0.04 0.00 -1.95 0.00 0.00 55.36 53.58 3dhk s GLN 156 Cb -1.09 -2.80 -0.02 0.00 -0.22 0.00 0.00 33.01 28.88 3dhk s GLN 156 CO 0.51 0.50 -0.12 0.08 -0.25 0.00 0.00 175.29 176.02 3dhk s VAL 157 N -1.74 0.96 -0.15 1.09 1.01 0.15 -1.67 120.40 120.05 3dhk s VAL 157 Ca 0.33 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 61.26 3dhk s VAL 157 Cb -0.11 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.44 3dhk s VAL 157 CO 0.26 -0.03 0.40 0.54 0.00 0.00 0.00 175.10 176.27 3dhk s VAL 158 N -0.83 -0.01 -0.17 2.92 0.11 -0.64 -0.29 120.40 121.50 3dhk s VAL 158 Ca 0.00 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.00 3dhk s VAL 158 Cb -0.07 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 3dhk s VAL 158 CO 0.01 0.01 0.05 0.20 -3.33 0.00 0.00 175.10 172.04 3dhk s ASN 159 N 0.45 5.58 -0.01 3.54 0.01 -1.26 -0.29 114.94 122.96 3dhk s ASN 159 Ca -0.02 0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.25 3dhk s ASN 159 Cb -0.04 -1.91 0.00 0.00 0.41 0.00 0.00 41.25 39.71 3dhk s ASN 159 CO -0.02 0.21 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.96 3dhk s LEU 160 N 0.16 1.87 0.22 0.60 1.43 0.35 -4.96 118.68 118.35 3dhk s LEU 160 Ca 0.04 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 3dhk s LEU 160 Cb -0.12 -0.36 -0.09 0.00 0.03 0.00 0.00 46.19 45.65 3dhk s LEU 160 CO 0.01 0.05 0.93 -2.16 0.23 0.00 0.00 176.35 175.41 3dhk s PRO 161 N 0.07 4.83 0.48 1.29 0.04 -1.26 -0.59 135.00 139.85 3dhk s PRO 161 Ca -0.00 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.27 3dhk s PRO 161 Cb -0.05 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.13 3dhk s PRO 161 CO -0.00 0.49 1.27 0.42 0.04 0.00 0.00 177.00 179.22 3dhk s ILE 162 N -1.05 2.61 0.08 0.56 1.01 0.52 -1.22 121.20 123.72 3dhk s ILE 162 Ca 0.41 0.48 0.05 0.00 0.00 0.00 0.00 60.65 61.60 3dhk s ILE 162 Cb -0.26 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3dhk s ILE 162 CO 0.31 0.01 -0.05 -0.69 0.00 0.00 0.00 174.94 174.53 3dhk s VAL 163 N -1.39 3.69 0.37 2.92 1.01 -0.23 -0.76 120.40 126.01 3dhk s VAL 163 Ca 0.65 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 3dhk s VAL 163 Cb -0.35 -2.72 -0.11 0.00 0.00 0.00 0.00 36.38 33.20 3dhk s VAL 163 CO 0.43 0.16 1.43 -1.61 0.00 0.00 0.00 175.10 175.51 3dhk s GLU 164 N -2.12 4.16 0.22 2.72 8.01 -1.26 -4.60 118.70 125.83 3dhk s GLU 164 Ca 0.23 2.47 -0.08 0.00 0.01 0.00 0.00 54.97 57.59 3dhk s GLU 164 Cb -0.11 -2.98 0.36 0.00 -4.31 0.00 0.00 34.13 27.08 3dhk s GLU 164 CO 0.15 -0.45 1.68 -0.09 0.01 0.00 0.00 175.26 176.56 3dhk h ARG 165 N 3.08 0.19 -0.69 1.61 9.65 -1.98 -1.27 114.38 124.97 3dhk h ARG 165 Ca -0.50 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.36 3dhk h ARG 165 Cb 1.24 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.74 3dhk h ARG 165 CO 0.64 0.13 0.41 -1.35 2.80 0.00 0.00 179.97 182.59 3dhk h PRO 166 N 0.20 0.94 -0.32 0.20 0.11 -1.99 -0.81 132.00 130.32 3dhk h PRO 166 Ca 0.36 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.32 3dhk h PRO 166 Cb 0.58 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3dhk h PRO 166 CO -0.50 0.67 -0.04 0.28 -0.21 0.00 0.00 178.00 178.20 3dhk h VAL 167 N 0.95 1.27 -0.20 3.15 2.07 -1.63 -0.22 116.25 121.64 3dhk h VAL 167 Ca 0.25 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.78 3dhk h VAL 167 Cb -0.02 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 3dhk h VAL 167 CO -0.04 0.34 -0.22 0.00 0.02 0.00 0.00 177.57 177.67 3dhk h LYS 169 N -0.24 0.85 0.00 0.00 1.57 -1.03 -2.48 116.57 115.24 3dhk h LYS 169 Ca 0.12 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3dhk h LYS 169 Cb 0.43 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3dhk h LYS 169 CO -0.34 0.76 0.00 -0.25 -0.57 0.00 0.00 179.45 179.05 3dhk n ASP 170 N -4.47 0.16 -0.14 0.86 8.00 -0.11 -2.42 116.55 118.44 3dhk n ASP 170 Ca 0.03 0.53 0.14 0.00 0.71 0.00 0.00 54.79 56.20 3dhk n ASP 170 Cb 0.19 -0.57 0.52 0.00 -0.02 0.00 0.00 41.12 41.24 3dhk n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3dhk n SER 171 N -1.67 0.59 -3.88 -2.24 3.41 -0.70 -4.95 113.62 104.18 3dhk n SER 171 Ca 0.04 -0.57 -0.09 0.00 -0.26 0.00 0.00 58.87 57.98 3dhk n SER 171 Cb 0.22 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 3dhk n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dhk s THR 172 N -2.55 0.14 -0.70 6.66 -1.32 -1.02 -4.83 115.64 112.02 3dhk s THR 172 Ca 0.25 -1.12 0.24 0.00 -1.21 0.00 0.00 61.69 59.86 3dhk s THR 172 Cb 0.20 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.02 3dhk s THR 172 CO 0.51 -0.62 1.27 0.54 -2.21 0.00 0.00 174.62 174.11 3dhk n ARG 173 N 0.28 0.24 -2.15 7.08 1.74 -1.26 -4.93 116.66 117.66 3dhk n ARG 173 Ca -0.17 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.57 3dhk n ARG 173 Cb 0.61 -1.63 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 3dhk n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dhk s ILE 174 N -3.14 2.83 -0.43 0.55 -1.09 -1.26 -4.96 121.20 113.70 3dhk s ILE 174 Ca 0.07 0.73 -0.29 0.00 -2.23 0.00 0.00 60.65 58.92 3dhk s ILE 174 Cb 0.14 -3.42 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 3dhk s ILE 174 CO 0.74 0.09 1.25 -0.60 -1.23 0.00 0.00 174.94 175.19 3dhk s ARG 175 N -2.25 3.71 0.38 2.79 3.52 -1.26 -5.02 118.95 120.82 3dhk s ARG 175 Ca 0.57 0.81 -0.16 0.00 -0.13 0.00 0.00 55.73 56.81 3dhk s ARG 175 Cb -0.35 -3.94 -0.09 0.00 -1.56 0.00 0.00 34.95 29.01 3dhk s ARG 175 CO 0.45 -1.39 0.82 0.42 -0.81 0.00 0.00 175.30 174.78 3dhk s ILE 176 N 4.76 4.59 0.41 4.11 -1.09 -1.26 -4.89 121.20 127.84 3dhk s ILE 176 Ca 0.54 1.10 0.04 0.00 -2.23 0.00 0.00 60.65 60.10 3dhk s ILE 176 Cb -0.11 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.09 3dhk s ILE 176 CO 0.30 -0.29 0.03 0.42 -1.23 0.00 0.00 174.94 174.17 3dhk s THR 177 N -2.12 1.46 -1.14 2.92 -4.23 -1.26 -5.01 115.64 106.25 3dhk s THR 177 Ca 0.57 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.23 3dhk s THR 177 Cb -0.10 -2.68 0.18 0.00 1.34 0.00 0.00 72.50 71.24 3dhk s THR 177 CO 0.18 0.00 1.48 0.47 -0.54 0.00 0.00 174.62 176.22 3dhk n ASP 178 N -1.01 0.00 -1.21 3.99 8.00 -1.26 -2.58 116.55 122.48 3dhk n ASP 178 Ca -0.08 0.35 0.05 0.00 0.71 0.00 0.00 54.79 55.83 3dhk n ASP 178 Cb 0.67 -0.43 0.24 0.00 -0.02 0.00 0.00 41.12 41.58 3dhk n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dhk n ASN 179 N -1.43 3.50 -4.12 -2.24 3.02 -1.26 -4.88 115.26 107.85 3dhk n ASN 179 Ca 0.05 -2.39 -0.10 0.00 -0.03 0.00 0.00 54.58 52.10 3dhk n ASN 179 Cb 0.16 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 3dhk n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3dhk s MET 180 N -1.87 0.70 0.04 3.52 -1.94 -1.06 -1.18 119.30 117.51 3dhk s MET 180 Ca 0.33 -1.16 -0.01 0.00 -1.71 0.00 0.00 55.69 53.15 3dhk s MET 180 Cb 0.23 -0.12 -0.03 0.00 2.01 0.00 0.00 34.83 36.91 3dhk s MET 180 CO 0.14 -0.02 -0.03 -0.59 -0.01 0.00 0.00 175.02 174.50 3dhk s PHE 181 N -3.11 0.47 0.28 -0.03 -0.12 -0.51 -4.83 117.98 110.15 3dhk s PHE 181 Ca 0.05 -0.90 0.11 0.00 -0.05 0.00 0.00 56.93 56.14 3dhk s PHE 181 Cb 0.02 -0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.02 3dhk s PHE 181 CO -0.05 -0.31 -0.12 0.00 -0.05 0.00 0.00 175.22 174.70 3dhk s ALA 183 N -2.46 -0.79 0.00 0.00 0.00 -0.38 -1.06 121.76 117.07 3dhk s ALA 183 Ca 0.31 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.53 3dhk s ALA 183 Cb -0.05 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.23 3dhk s ALA 183 CO 0.17 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3dhk n GLY 184 N 1.03 2.87 3.82 0.00 0.00 -0.35 -1.94 105.19 110.62 3dhk n GLY 184 Ca -0.21 -1.74 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 3dhk n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhk s TYR 184 N -1.86 3.51 0.64 1.61 2.02 -1.26 -4.49 117.35 117.52 3dhk s TYR 184 Ca 0.00 1.47 -0.12 0.00 -0.37 0.00 0.00 57.07 58.04 3dhk s TYR 184 Cb 0.00 -2.71 -0.02 0.00 -0.40 0.00 0.00 41.96 38.83 3dhk s TYR 184 CO 0.00 0.15 1.04 0.15 -1.57 0.00 0.00 175.55 175.33 3dhk s LYS 185 N -2.51 3.26 0.52 -0.62 1.02 -1.26 -4.77 119.74 115.39 3dhk s LYS 185 Ca 0.51 0.96 0.18 0.00 0.02 0.00 0.00 55.97 57.64 3dhk s LYS 185 Cb -0.14 -2.03 1.33 0.00 -0.52 0.00 0.00 37.83 36.47 3dhk s LYS 185 CO 0.19 -0.84 2.15 -1.00 -0.92 0.00 0.00 175.35 174.93 3dhk h PRO 186 N -0.23 0.00 0.00 -1.68 0.13 -1.94 -0.17 132.00 128.11 3dhk h PRO 186 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3dhk h PRO 186 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3dhk h PRO 186 CO 0.58 0.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 3dhk n ASP 186 N -4.41 0.57 -0.09 1.44 9.92 -1.26 -3.63 116.55 119.09 3dhk n ASP 186 Ca -0.03 0.56 0.14 0.00 -0.53 0.00 0.00 54.79 54.93 3dhk n ASP 186 Cb 0.10 -0.71 0.56 0.00 -0.64 0.00 0.00 41.12 40.43 3dhk n ASP 186 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3dhk n GLU 186 N -2.04 0.50 0.00 -1.24 1.02 -0.08 -4.95 120.64 113.85 3dhk n GLU 186 Ca 0.06 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3dhk n GLU 186 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 3dhk n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dhk n GLY 186 N 1.34 1.90 2.81 0.62 0.00 -1.24 -4.95 105.19 105.67 3dhk n GLY 186 Ca 0.12 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3dhk n GLY 186 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dhk n LYS 186 N 0.00 0.00 -0.78 1.61 2.85 -1.26 -4.99 118.16 115.59 3dhk n LYS 186 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3dhk n LYS 186 Cb 0.00 -0.93 0.00 0.00 -0.65 0.00 0.00 35.03 33.45 3dhk n LYS 186 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3dhk n ARG 187 N 2.21 0.00 0.00 -1.58 1.85 -1.26 -4.70 116.66 113.18 3dhk n ARG 187 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 3dhk n ARG 187 Cb 0.51 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.92 3dhk n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dhk n GLY 188 N 0.00 3.98 3.63 2.89 0.00 -1.26 -4.91 105.19 109.53 3dhk n GLY 188 Ca 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.35 3dhk n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dhk s ASP 189 N 0.00 -0.15 0.85 1.61 2.15 -0.86 -4.68 116.67 115.59 3dhk s ASP 189 Ca 0.00 -0.16 -0.13 0.00 0.43 0.00 0.00 52.55 52.69 3dhk s ASP 189 Cb 0.00 0.27 0.11 0.00 -0.30 0.00 0.00 42.92 43.00 3dhk s ASP 189 CO 0.00 -0.49 1.20 0.00 -0.17 0.00 0.00 175.17 175.71 3dhk s ALA 190 N -2.75 2.50 0.39 3.66 0.00 -1.26 0.01 121.76 124.31 3dhk s ALA 190 Ca 0.11 -0.74 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 3dhk s ALA 190 Cb 0.01 -2.93 0.06 0.00 0.00 0.00 0.00 23.12 20.26 3dhk s ALA 190 CO -0.03 -1.87 0.80 0.00 0.00 0.00 0.00 175.76 174.67 3dhk n GLU 192 N -0.54 0.00 0.00 0.00 1.02 -1.26 -0.56 120.64 119.30 3dhk n GLU 192 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3dhk n GLU 192 Cb 0.60 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 3dhk n GLU 192 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dhk n GLY 193 N 3.41 1.56 0.17 0.62 0.00 -1.26 -0.90 105.19 108.79 3dhk n GLY 193 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.40 3dhk n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dhk h ASP 194 N 0.00 0.00 -0.65 1.61 3.32 -1.18 -3.28 116.42 116.25 3dhk h ASP 194 Ca 0.00 -0.01 -0.48 0.00 0.02 0.00 0.00 57.03 56.56 3dhk h ASP 194 Cb 0.00 0.00 0.05 0.00 0.22 0.00 0.00 39.33 39.60 3dhk h ASP 194 CO 0.00 0.00 -0.10 -1.20 -1.72 0.00 0.00 179.24 176.23 3dhk n SER 195 N -2.88 -0.29 0.00 6.45 7.64 -1.26 -1.52 113.62 121.77 3dhk n SER 195 Ca 0.03 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.65 3dhk n SER 195 Cb 0.53 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 3dhk n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dhk n GLY 196 N 1.08 2.81 3.76 0.23 0.00 -0.70 -0.09 105.19 112.28 3dhk n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3dhk n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dhk s GLY 197 N -1.70 1.57 0.03 -0.02 0.00 -0.57 -3.10 107.32 103.53 3dhk s GLY 197 Ca 0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 44.72 44.13 3dhk s GLY 197 CO 0.00 0.08 0.35 2.56 0.00 0.00 0.00 173.10 176.09 3dhk s PRO 198 N -5.21 3.72 -0.38 2.90 0.04 -1.26 -0.52 135.00 134.29 3dhk s PRO 198 Ca 0.64 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.69 3dhk s PRO 198 Cb -0.16 -3.08 0.02 0.00 0.04 0.00 0.00 34.50 31.32 3dhk s PRO 198 CO 0.54 0.63 0.24 0.12 0.04 0.00 0.00 177.00 178.57 3dhk s PHE 199 N -1.28 3.24 0.23 0.56 2.19 -0.41 -3.58 117.98 118.93 3dhk s PHE 199 Ca 0.28 -0.70 0.10 0.00 0.33 0.00 0.00 56.93 56.94 3dhk s PHE 199 Cb -0.14 -2.50 -0.04 0.00 -1.31 0.00 0.00 43.02 39.03 3dhk s PHE 199 CO 0.15 -0.58 -0.08 0.14 1.83 0.00 0.00 175.22 176.69 3dhk s VAL 200 N 1.63 3.14 0.03 3.12 -7.23 -0.02 -1.14 120.40 119.93 3dhk s VAL 200 Ca 0.04 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.32 3dhk s VAL 200 Cb -0.19 -2.62 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 3dhk s VAL 200 CO 0.08 -0.27 -0.09 -0.04 -0.31 0.00 0.00 175.10 174.47 3dhk s MET 201 N -3.30 0.63 -0.36 4.82 -1.94 -0.01 -0.59 119.30 118.56 3dhk s MET 201 Ca 0.28 -0.58 -0.14 0.00 -1.71 0.00 0.00 55.69 53.54 3dhk s MET 201 Cb -0.07 -0.55 -0.01 0.00 2.01 0.00 0.00 34.83 36.21 3dhk s MET 201 CO 0.17 0.13 0.31 0.21 -0.01 0.00 0.00 175.02 175.83 3dhk s LYS 202 N -0.97 3.42 0.15 2.03 2.20 -1.26 -1.24 119.74 124.07 3dhk s LYS 202 Ca -0.02 -0.62 -0.31 0.00 -0.36 0.00 0.00 55.97 54.66 3dhk s LYS 202 Cb -0.07 -3.84 -0.11 0.00 -1.51 0.00 0.00 37.83 32.30 3dhk s LYS 202 CO 0.00 -0.55 1.76 0.45 -0.36 0.00 0.00 175.35 176.66 3dhk s SER 203 N 1.73 6.44 0.00 1.43 0.15 -0.17 -4.87 113.70 118.40 3dhk s SER 203 Ca 0.09 2.76 0.30 0.00 0.70 0.00 0.00 55.95 59.79 3dhk s SER 203 Cb -0.17 -2.58 1.54 0.00 -1.71 0.00 0.00 66.02 63.10 3dhk s SER 203 CO 0.11 -0.97 2.05 -0.81 1.20 0.00 0.00 173.24 174.82 3dhk n PRO 204 N 5.05 0.66 0.06 5.44 -0.04 -1.26 -1.01 135.00 143.91 3dhk n PRO 204 Ca 0.17 -0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 3dhk n PRO 204 Cb 0.38 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 3dhk n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3dhk h PHE 204 N 0.19 0.65 0.00 0.54 0.04 -1.96 -3.41 116.94 112.99 3dhk h PHE 204 Ca 0.00 -0.48 0.00 0.00 2.80 0.00 0.00 57.97 60.29 3dhk h PHE 204 Cb 0.24 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3dhk h PHE 204 CO 0.00 1.57 0.00 0.27 -0.60 0.00 0.00 178.31 179.55 3dhk n ASN 204 N -3.79 0.74 -2.75 2.17 2.04 -1.24 -5.02 115.26 107.41 3dhk n ASN 204 Ca -0.22 -1.26 -0.21 0.00 -0.44 0.00 0.00 54.58 52.44 3dhk n ASN 204 Cb 0.99 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 38.25 3dhk n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3dhk n ASN 205 N -0.13 -5.78 -4.60 0.53 4.13 -0.18 -4.99 115.26 104.25 3dhk n ASN 205 Ca 0.00 -0.15 -0.30 0.00 1.68 0.00 0.00 54.58 55.81 3dhk n ASN 205 Cb 0.27 -4.74 -0.09 0.00 -1.54 0.00 0.00 39.78 33.68 3dhk n ASN 205 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3dhk s ARG 206 N -5.41 2.19 -0.01 3.52 0.52 -1.24 -4.85 118.95 113.67 3dhk s ARG 206 Ca 0.17 -1.01 -0.27 0.00 -0.52 0.00 0.00 55.73 54.10 3dhk s ARG 206 Cb -0.08 -2.34 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3dhk s ARG 206 CO 0.21 0.51 0.86 -1.58 0.02 0.00 0.00 175.30 175.31 3dhk s TRP 207 N -1.25 3.65 -0.03 -0.53 0.52 -1.26 -1.00 118.94 119.04 3dhk s TRP 207 Ca 0.22 1.53 0.07 0.00 0.02 0.00 0.00 56.10 57.94 3dhk s TRP 207 Cb -0.11 -2.97 -0.02 0.00 -1.15 0.00 0.00 33.47 29.22 3dhk s TRP 207 CO 0.15 0.07 -0.25 0.71 0.02 0.00 0.00 176.95 177.65 3dhk s TYR 208 N 0.73 2.37 -0.50 -1.98 2.02 -0.37 -1.97 117.35 117.65 3dhk s TYR 208 Ca 0.45 -0.46 -0.21 0.00 -0.37 0.00 0.00 57.07 56.48 3dhk s TYR 208 Cb -0.20 -1.52 0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3dhk s TYR 208 CO 0.24 -0.05 0.74 -1.14 -1.57 0.00 0.00 175.55 173.78 3dhk s GLN 209 N -0.56 3.25 0.10 -0.62 0.74 0.66 -0.83 119.66 122.40 3dhk s GLN 209 Ca 0.08 -0.50 0.20 0.00 0.05 0.00 0.00 55.36 55.19 3dhk s GLN 209 Cb -0.10 -4.04 -0.11 0.00 1.10 0.00 0.00 33.01 29.86 3dhk s GLN 209 CO -0.00 -1.25 0.85 -1.33 -0.55 0.00 0.00 175.29 173.01 3dhk n MET 210 N 6.65 0.62 -4.13 1.67 2.81 -0.29 -4.34 117.12 120.10 3dhk n MET 210 Ca -0.02 0.13 -0.10 0.00 -1.81 0.00 0.00 57.70 55.90 3dhk n MET 210 Cb 0.47 -1.78 -0.09 0.00 -0.71 0.00 0.00 33.22 31.11 3dhk n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3dhk s GLY 211 N -4.62 1.03 -0.07 3.03 0.00 -0.70 -1.89 107.32 104.09 3dhk s GLY 211 Ca -0.03 -1.42 0.03 0.00 0.00 0.00 0.00 44.72 43.30 3dhk s GLY 211 CO 0.81 -1.26 -0.18 -0.42 0.00 0.00 0.00 173.10 172.06 3dhk s ILE 212 N -4.07 1.55 -0.18 0.90 1.01 -0.81 -1.29 121.20 118.32 3dhk s ILE 212 Ca 0.28 -0.73 -0.35 0.00 0.00 0.00 0.00 60.65 59.84 3dhk s ILE 212 Cb 0.06 -1.36 -0.12 0.00 0.01 0.00 0.00 42.46 41.05 3dhk s ILE 212 CO 0.05 0.45 1.94 0.52 0.00 0.00 0.00 174.94 177.90 3dhk n VAL 213 N 3.58 0.46 0.04 2.92 0.31 0.32 -0.91 118.33 125.04 3dhk n VAL 213 Ca -0.21 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3dhk n VAL 213 Cb 0.52 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 3dhk n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3dhk n SER 214 N 7.41 0.77 -3.63 4.52 2.88 -0.31 -1.71 113.62 123.55 3dhk n SER 214 Ca 0.27 0.12 -0.10 0.00 -1.33 0.00 0.00 58.87 57.83 3dhk n SER 214 Cb 0.27 -0.22 -0.04 0.00 -0.75 0.00 0.00 64.21 63.47 3dhk n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3dhk s TRP 215 N -1.75 -0.22 0.15 0.66 1.48 -0.53 -4.94 118.94 113.79 3dhk s TRP 215 Ca 0.00 -0.09 -0.24 0.00 -1.06 0.00 0.00 56.10 54.71 3dhk s TRP 215 Cb 0.00 0.29 0.06 0.00 -1.16 0.00 0.00 33.47 32.66 3dhk s TRP 215 CO 0.00 -0.73 0.72 0.20 -4.06 0.00 0.00 176.95 173.08 3dhk s GLY 216 N -2.81 -0.43 -0.51 3.67 0.00 -1.26 -0.25 107.32 105.73 3dhk s GLY 216 Ca 0.03 0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.97 3dhk s GLY 216 CO -0.11 0.12 0.50 1.85 0.00 0.00 0.00 173.10 175.46 3dhk s GLU 217 N -3.61 3.02 2.65 2.90 2.12 -1.26 -4.90 118.70 119.62 3dhk s GLU 217 Ca 0.05 -1.30 0.00 0.00 0.36 0.00 0.00 54.97 54.08 3dhk s GLU 217 Cb -0.02 -4.17 0.00 0.00 0.26 0.00 0.00 34.13 30.20 3dhk s GLU 217 CO -0.06 -1.18 0.00 0.41 -0.54 0.00 0.00 175.26 173.88 3dhk n GLY 219 N 5.21 0.01 2.81 -1.50 0.00 -1.26 -4.67 105.19 105.79 3dhk n GLY 219 Ca -0.11 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.75 3dhk n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dhk n ASP 221 N 4.43 -6.00 -4.74 0.00 2.03 -1.26 -4.59 116.55 106.42 3dhk n ASP 221 Ca -0.22 -0.21 -0.41 0.00 0.52 0.00 0.00 54.79 54.46 3dhk n ASP 221 Cb 0.50 -4.87 -0.04 0.00 -0.72 0.00 0.00 41.12 36.00 3dhk n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3dhk s ARG 221 N -5.51 4.59 0.30 -0.67 0.52 -1.26 -4.94 118.95 111.97 3dhk s ARG 221 Ca 0.22 1.72 -0.29 0.00 -0.52 0.00 0.00 55.73 56.86 3dhk s ARG 221 Cb -0.10 -3.28 -0.13 0.00 0.52 0.00 0.00 34.95 31.97 3dhk s ARG 221 CO 0.27 0.07 1.31 -0.25 0.02 0.00 0.00 175.30 176.73 3dhk n ASP 222 N 2.36 2.64 0.00 0.23 9.92 -1.26 -2.28 116.55 128.16 3dhk n ASP 222 Ca 0.03 1.18 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 3dhk n ASP 222 Cb 0.46 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 3dhk n ASP 222 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dhk n GLY 223 N 1.37 1.49 3.50 0.44 0.00 -1.26 -5.00 105.19 105.73 3dhk n GLY 223 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.85 3dhk n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhk s LYS 224 N -0.13 1.79 0.12 1.61 -0.14 -0.97 -4.76 119.74 117.26 3dhk s LYS 224 Ca 0.00 -1.59 0.04 0.00 -1.36 0.00 0.00 55.97 53.06 3dhk s LYS 224 Cb 0.00 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 34.21 3dhk s LYS 224 CO 0.00 0.37 -0.09 0.71 -0.76 0.00 0.00 175.35 175.57 3dhk s TYR 225 N -2.17 1.10 0.30 3.18 1.51 -1.26 -4.68 117.35 115.32 3dhk s TYR 225 Ca 0.27 -0.76 -0.21 0.00 -1.01 0.00 0.00 57.07 55.37 3dhk s TYR 225 Cb -0.06 -0.59 -0.09 0.00 -0.11 0.00 0.00 41.96 41.11 3dhk s TYR 225 CO 0.15 -0.00 0.82 0.20 -1.11 0.00 0.00 175.55 175.61 3dhk s GLY 226 N -2.87 2.58 -0.08 0.71 0.00 -0.82 -4.53 107.32 102.31 3dhk s GLY 226 Ca 0.11 0.28 0.03 0.00 0.00 0.00 0.00 44.72 45.15 3dhk s GLY 226 CO -0.01 0.62 -0.19 -1.36 0.00 0.00 0.00 173.10 172.16 3dhk s PHE 227 N -1.74 2.62 -0.04 1.90 0.40 0.65 -1.25 117.98 120.52 3dhk s PHE 227 Ca 0.50 -0.61 0.06 0.00 -0.60 0.00 0.00 56.93 56.27 3dhk s PHE 227 Cb -0.15 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 3dhk s PHE 227 CO 0.20 -0.15 -0.21 0.71 0.70 0.00 0.00 175.22 176.47 3dhk s TYR 228 N -0.08 2.04 0.23 0.36 1.51 0.17 -1.16 117.35 120.42 3dhk s TYR 228 Ca -0.04 -0.55 -0.31 0.00 -1.01 0.00 0.00 57.07 55.15 3dhk s TYR 228 Cb -0.14 -1.35 -0.12 0.00 -0.11 0.00 0.00 41.96 40.24 3dhk s TYR 228 CO 0.04 -0.15 1.70 0.99 -1.11 0.00 0.00 175.55 177.01 3dhk s THR 229 N -0.17 2.03 -0.87 -0.71 2.01 -0.09 -1.42 115.64 116.43 3dhk s THR 229 Ca -0.01 0.02 -0.24 0.00 0.31 0.00 0.00 61.69 61.77 3dhk s THR 229 Cb -0.12 -3.01 0.05 0.00 0.01 0.00 0.00 72.50 69.43 3dhk s THR 229 CO 0.02 0.00 1.30 -2.28 -0.69 0.00 0.00 174.62 172.97 3dhk s HIS 230 N 0.90 2.51 0.20 4.92 2.46 -0.32 -1.91 115.29 124.04 3dhk s HIS 230 Ca 0.72 -0.56 -0.11 0.00 0.47 0.00 0.00 55.06 55.58 3dhk s HIS 230 Cb -0.49 -4.59 0.15 0.00 -0.13 0.00 0.00 32.58 27.51 3dhk s HIS 230 CO 0.36 -1.92 1.85 0.28 -2.47 0.00 0.00 174.74 172.84 3dhk h VAL 231 N 6.32 1.12 -0.87 0.89 2.07 -1.68 -2.08 116.25 122.02 3dhk h VAL 231 Ca -0.04 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.21 3dhk h VAL 231 Cb 1.03 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3dhk h VAL 231 CO 1.31 0.15 0.58 0.15 0.02 0.00 0.00 177.57 179.79 3dhk h PHE 232 N 0.84 1.09 0.00 1.57 3.57 -1.87 -1.32 116.94 120.82 3dhk h PHE 232 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3dhk h PHE 232 Cb -0.03 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.34 3dhk h PHE 232 CO -0.04 0.68 0.00 0.00 -2.23 0.00 0.00 178.31 176.72 3dhk h ARG 233 N 1.17 0.00 -0.14 1.11 -0.00 -1.75 -2.51 114.38 112.27 3dhk h ARG 233 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.80 3dhk h ARG 233 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.85 3dhk h ARG 233 CO -0.07 0.00 0.00 1.28 0.00 0.00 0.00 179.97 181.18 3dhk n LEU 234 N -2.73 2.82 0.09 3.04 4.77 -0.55 -4.70 117.00 119.74 3dhk n LEU 234 Ca 0.00 -2.64 0.01 0.00 -0.03 0.00 0.00 56.01 53.35 3dhk n LEU 234 Cb 0.21 -0.33 0.33 0.00 -2.33 0.00 0.00 43.42 41.29 3dhk n LEU 234 CO 0.21 0.66 0.82 0.50 -1.33 0.00 0.00 177.39 178.26 3dhk h LYS 235 N 0.88 0.29 -0.69 3.23 3.64 -0.94 -2.25 116.57 120.73 3dhk h LYS 235 Ca 0.00 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3dhk h LYS 235 Cb 0.97 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 3dhk h LYS 235 CO 0.06 0.48 0.32 0.87 -2.27 0.00 0.00 179.45 178.91 3dhk h LYS 236 N 0.26 0.98 -0.31 1.90 1.79 -1.84 0.16 116.57 119.52 3dhk h LYS 236 Ca 0.05 -0.14 -0.12 0.00 -2.18 0.00 0.00 60.65 58.26 3dhk h LYS 236 Cb 0.50 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 3dhk h LYS 236 CO 0.03 0.77 -0.32 2.35 -1.08 0.00 0.00 179.45 181.20 3dhk h TRP 237 N 0.98 0.76 -0.31 -1.35 7.01 -1.80 0.20 115.95 121.45 3dhk h TRP 237 Ca 0.24 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 3dhk h TRP 237 Cb 0.12 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 3dhk h TRP 237 CO 0.01 0.90 0.11 0.82 -2.79 0.00 0.00 178.44 177.48 3dhk h ILE 238 N 0.56 1.20 -0.42 2.65 2.04 -0.69 -0.34 117.51 122.51 3dhk h ILE 238 Ca 0.06 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3dhk h ILE 238 Cb 0.82 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3dhk h ILE 238 CO 0.07 0.21 0.14 1.56 0.00 0.00 0.00 178.15 180.14 3dhk h GLN 239 N 0.35 0.64 0.19 2.37 1.08 -0.60 -0.96 115.11 118.18 3dhk h GLN 239 Ca 0.10 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3dhk h GLN 239 Cb 0.23 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3dhk h GLN 239 CO -0.00 0.62 -0.28 0.87 -0.95 0.00 0.00 178.83 179.09 3dhk h LYS 240 N 0.53 -0.52 -0.49 1.46 1.79 -0.81 0.94 116.57 119.47 3dhk h LYS 240 Ca 0.14 0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.69 3dhk h LYS 240 Cb 0.24 0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.96 3dhk h LYS 240 CO -0.01 -0.34 0.23 0.28 -1.08 0.00 0.00 179.45 178.53 3dhk h VAL 241 N -0.54 0.93 -0.23 0.50 2.07 -0.92 -1.15 116.25 116.92 3dhk h VAL 241 Ca 0.01 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 67.20 3dhk h VAL 241 Cb 0.53 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3dhk h VAL 241 CO -0.12 0.08 -0.54 0.40 0.02 0.00 0.00 177.57 177.42 3dhk h ILE 242 N 0.45 1.29 -0.75 4.57 2.04 -0.65 -0.53 117.51 123.93 3dhk h ILE 242 Ca 0.22 -1.74 0.07 0.00 1.00 0.00 0.00 64.86 64.41 3dhk h ILE 242 Cb 0.16 1.78 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 3dhk h ILE 242 CO -0.17 0.56 0.43 0.44 0.00 0.00 0.00 178.15 179.40 3dhk h ASP 243 N 0.51 0.64 0.16 1.72 3.32 0.11 0.21 116.42 123.10 3dhk h ASP 243 Ca -0.00 0.03 -0.27 0.00 0.02 0.00 0.00 57.03 56.81 3dhk h ASP 243 Cb 1.15 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 40.62 3dhk h ASP 243 CO 0.12 0.40 -1.13 -0.61 -1.72 0.00 0.00 179.24 176.30 3dhk h GLN 244 N 0.78 0.59 -0.03 3.56 4.15 -1.11 -3.38 115.11 119.66 3dhk h GLN 244 Ca 0.34 -0.71 0.00 0.00 0.77 0.00 0.00 58.65 59.05 3dhk h GLN 244 Cb 0.23 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3dhk h GLN 244 CO -0.20 1.30 0.00 1.19 -1.93 0.00 0.00 178.83 179.19 3dhk n PHE 245 N -3.78 0.03 1.94 3.99 3.01 -0.22 -5.10 117.46 117.33 3dhk n PHE 245 Ca -0.11 -0.17 0.16 0.00 1.01 0.00 0.00 57.45 58.33 3dhk n PHE 245 Cb 0.93 -0.02 0.89 0.00 -0.01 0.00 0.00 39.48 41.28 3dhk n PHE 245 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18