#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ktt s VAL 17 N 0.00 4.49 -0.79 1.39 1.01 0.10 -3.96 120.40 122.64 1ktt s VAL 17 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1ktt s VAL 17 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1ktt s VAL 17 CO 0.00 0.42 0.00 -0.62 0.00 0.00 0.00 175.10 174.90 1ktt n GLU 18 N 4.02 -0.73 0.00 2.72 -0.58 -1.26 -1.71 120.64 123.09 1ktt n GLU 18 Ca -0.16 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1ktt n GLU 18 Cb 0.52 -4.46 0.00 0.00 -0.57 0.00 0.00 31.44 26.93 1ktt n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ktt n GLY 19 N -1.03 2.43 3.54 0.62 0.00 -1.26 -4.73 105.19 104.76 1ktt n GLY 19 Ca -0.11 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 1ktt n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ktt s SER 20 N -0.72 -0.12 0.37 1.61 1.04 -0.59 -4.92 113.70 110.39 1ktt s SER 20 Ca 0.00 -0.79 -0.28 0.00 0.48 0.00 0.00 55.95 55.36 1ktt s SER 20 Cb 0.00 0.56 -0.11 0.00 0.10 0.00 0.00 66.02 66.57 1ktt s SER 20 CO 0.00 -1.08 1.47 -1.81 0.98 0.00 0.00 173.24 172.80 1ktt s ASP 21 N -2.97 6.37 0.56 7.02 1.01 -1.26 -0.74 116.67 126.66 1ktt s ASP 21 Ca 0.17 3.02 -0.16 0.00 0.71 0.00 0.00 52.55 56.29 1ktt s ASP 21 Cb -0.00 -2.67 -0.05 0.00 1.01 0.00 0.00 42.92 41.21 1ktt s ASP 21 CO 0.04 -0.85 1.03 0.00 0.21 0.00 0.00 175.17 175.60 1ktt s ALA 22 N -1.13 2.85 0.48 5.23 0.00 0.31 -4.75 121.76 124.76 1ktt s ALA 22 Ca 0.53 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 1ktt s ALA 22 Cb -0.46 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 1ktt s ALA 22 CO 0.62 -0.60 0.86 -1.21 0.00 0.00 0.00 175.76 175.43 1ktt s GLU 23 N -4.04 3.73 0.15 0.00 2.02 -1.26 -4.93 118.70 114.37 1ktt s GLU 23 Ca 0.62 0.55 -0.31 0.00 0.02 0.00 0.00 54.97 55.85 1ktt s GLU 23 Cb -0.14 -2.28 -0.10 0.00 0.10 0.00 0.00 34.13 31.70 1ktt s GLU 23 CO 0.34 -0.21 1.68 0.42 0.02 0.00 0.00 175.26 177.51 1ktt s ILE 24 N -2.64 2.50 0.00 -1.63 1.01 -1.26 -1.41 121.20 117.77 1ktt s ILE 24 Ca 0.52 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1ktt s ILE 24 Cb -0.10 -3.16 0.00 0.00 0.01 0.00 0.00 42.46 39.21 1ktt s ILE 24 CO 0.38 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1ktt n GLY 25 N 3.96 0.45 0.21 6.18 0.00 -1.26 -4.88 105.19 109.84 1ktt n GLY 25 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.23 1ktt n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1ktt h MET 26 N 1.04 0.00 -2.04 1.61 -1.53 -1.61 -3.30 114.93 109.10 1ktt h MET 26 Ca 0.00 0.00 -0.54 0.00 -3.44 0.00 0.00 59.70 55.72 1ktt h MET 26 Cb 0.20 0.00 -0.40 0.00 -0.55 0.00 0.00 31.60 30.85 1ktt h MET 26 CO 0.00 0.29 -1.05 0.45 0.14 0.00 0.00 176.91 176.74 1ktt n SER 27 N -3.99 1.11 0.08 1.39 2.88 -1.26 -4.96 113.62 108.86 1ktt n SER 27 Ca -0.02 -2.95 0.04 0.00 -1.33 0.00 0.00 58.87 54.61 1ktt n SER 27 Cb 0.35 -0.63 0.22 0.00 -0.75 0.00 0.00 64.21 63.41 1ktt n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ktt n PRO 28 N 0.86 0.05 0.00 -1.46 -0.04 -1.24 -1.40 135.00 131.77 1ktt n PRO 28 Ca 0.24 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 64.32 1ktt n PRO 28 Cb 0.55 -1.80 0.09 0.00 -0.04 0.00 0.00 33.50 32.30 1ktt n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1ktt n TRP 29 N -1.75 0.00 -2.03 0.54 2.14 -1.09 -1.29 117.44 113.95 1ktt n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 1ktt n TRP 29 Cb 0.13 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.60 1ktt n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1ktt s GLN 30 N -2.01 4.27 -0.02 -2.67 2.00 -0.49 -0.48 119.66 120.26 1ktt s GLN 30 Ca 0.27 2.25 0.06 0.00 -2.00 0.00 0.00 55.36 55.95 1ktt s GLN 30 Cb 0.20 -3.17 -0.01 0.00 0.80 0.00 0.00 33.01 30.83 1ktt s GLN 30 CO 0.31 -0.48 -0.20 0.08 -0.50 0.00 0.00 175.29 174.50 1ktt s VAL 31 N 0.71 1.59 -0.19 1.34 1.01 -0.64 -3.89 120.40 120.32 1ktt s VAL 31 Ca 0.64 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1ktt s VAL 31 Cb -0.41 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1ktt s VAL 31 CO 0.35 0.45 0.04 -0.32 0.00 0.00 0.00 175.10 175.62 1ktt s MET 32 N -0.40 3.83 -0.34 2.72 1.75 0.89 -1.44 119.30 126.31 1ktt s MET 32 Ca 0.06 -0.42 -0.22 0.00 -1.25 0.00 0.00 55.69 53.87 1ktt s MET 32 Cb -0.08 -3.18 0.00 0.00 2.84 0.00 0.00 34.83 34.41 1ktt s MET 32 CO -0.00 0.14 0.70 -1.17 -0.65 0.00 0.00 175.02 174.04 1ktt s LEU 33 N 0.70 4.16 -0.11 4.11 2.96 0.05 -0.90 118.68 129.66 1ktt s LEU 33 Ca 0.02 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1ktt s LEU 33 Cb -0.14 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.63 1ktt s LEU 33 CO 0.02 -0.61 -0.15 0.12 -1.32 0.00 0.00 176.35 174.41 1ktt s PHE 34 N 2.83 2.75 -0.09 5.38 2.19 -0.13 0.49 117.98 131.41 1ktt s PHE 34 Ca 0.28 -0.63 -0.22 0.00 0.33 0.00 0.00 56.93 56.69 1ktt s PHE 34 Cb -0.14 -1.79 -0.04 0.00 -1.31 0.00 0.00 43.02 39.74 1ktt s PHE 34 CO 0.14 -0.18 0.65 0.50 1.83 0.00 0.00 175.22 178.16 1ktt s ARG 35 N 0.18 4.40 0.00 10.12 3.52 0.36 -1.68 118.95 135.86 1ktt s ARG 35 Ca -0.09 0.78 -0.25 0.00 -0.13 0.00 0.00 55.73 56.04 1ktt s ARG 35 Cb -0.15 -3.45 -0.18 0.00 -1.56 0.00 0.00 34.95 29.60 1ktt s ARG 35 CO 0.05 0.06 1.30 0.87 -0.81 0.00 0.00 175.30 176.78 1ktt h LYS 36 N 6.80 -0.16 -3.74 5.12 1.57 -1.84 -2.09 116.57 122.22 1ktt h LYS 36 Ca -0.40 0.01 -0.55 0.00 -1.87 0.00 0.00 60.65 57.84 1ktt h LYS 36 Cb 1.19 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.14 1ktt h LYS 36 CO 0.76 0.19 -0.77 -1.12 -0.57 0.00 0.00 179.45 177.94 1ktt s SER 36 N -5.38 3.36 0.41 0.86 0.01 -1.26 -1.73 113.70 109.97 1ktt s SER 36 Ca -0.15 -1.07 -0.17 0.00 1.31 0.00 0.00 55.95 55.87 1ktt s SER 36 Cb 0.02 -0.79 -0.09 0.00 0.21 0.00 0.00 66.02 65.37 1ktt s SER 36 CO 0.61 -0.31 0.87 -2.16 0.41 0.00 0.00 173.24 172.66 1ktt s PRO 37 N 1.70 4.06 -0.16 12.44 0.04 -1.26 -5.05 135.00 146.77 1ktt s PRO 37 Ca -0.00 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.63 1ktt s PRO 37 Cb -0.18 -2.27 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 1ktt s PRO 37 CO -0.11 -0.01 2.14 1.04 0.04 0.00 0.00 177.00 180.11 1ktt n GLN 38 N -0.77 2.14 -3.44 4.56 6.02 -0.71 -4.64 117.38 120.54 1ktt n GLN 38 Ca 0.05 0.66 -0.13 0.00 -0.01 0.00 0.00 57.00 57.58 1ktt n GLN 38 Cb 0.54 -3.10 -0.03 0.00 1.02 0.00 0.00 30.24 28.67 1ktt n GLN 38 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 1ktt s GLU 39 N 5.76 1.24 0.05 -1.09 -1.05 -0.79 -4.97 118.70 117.86 1ktt s GLU 39 Ca 0.98 -0.38 -0.31 0.00 -0.15 0.00 0.00 54.97 55.12 1ktt s GLU 39 Cb -0.42 0.57 -0.07 0.00 -0.44 0.00 0.00 34.13 33.77 1ktt s GLU 39 CO 0.39 -0.52 1.50 -1.17 0.95 0.00 0.00 175.26 176.41 1ktt s LEU 40 N -2.53 4.35 -0.24 1.83 2.96 -1.26 -0.48 118.68 123.30 1ktt s LEU 40 Ca -0.01 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 1ktt s LEU 40 Cb -0.01 -3.57 -0.15 0.00 0.50 0.00 0.00 46.19 42.97 1ktt s LEU 40 CO -0.10 -0.78 -0.22 -0.11 -1.32 0.00 0.00 176.35 173.82 1ktt n LEU 41 N 5.16 2.85 -3.85 -0.68 7.94 0.18 -4.85 117.00 123.74 1ktt n LEU 41 Ca 0.14 -0.08 0.02 0.00 -1.11 0.00 0.00 56.01 54.98 1ktt n LEU 41 Cb 0.42 -0.81 0.01 0.00 0.53 0.00 0.00 43.42 43.56 1ktt n LEU 41 CO 0.60 0.86 1.06 0.00 -1.11 0.00 0.00 177.39 178.80 1ktt s GLY 43 N -3.49 1.92 0.09 0.00 0.00 0.15 -0.77 107.32 105.22 1ktt s GLY 43 Ca 0.23 -1.69 -0.20 0.00 0.00 0.00 0.00 44.72 43.07 1ktt s GLY 43 CO -0.01 -1.47 0.92 0.00 0.00 0.00 0.00 173.10 172.54 1ktt n ALA 44 N -1.94 -2.49 -3.03 3.20 0.00 -0.52 -3.40 120.51 112.33 1ktt n ALA 44 Ca 0.09 -0.77 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 1ktt n ALA 44 Cb 0.59 0.34 -0.11 0.00 0.00 0.00 0.00 19.45 20.27 1ktt n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ktt s SER 45 N -3.12 0.12 -0.20 0.00 1.04 0.99 -1.61 113.70 110.92 1ktt s SER 45 Ca 0.21 -0.32 -0.16 0.00 0.48 0.00 0.00 55.95 56.16 1ktt s SER 45 Cb -0.02 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1ktt s SER 45 CO 0.03 -0.30 0.42 -0.22 0.98 0.00 0.00 173.24 174.14 1ktt s LEU 46 N -1.28 4.15 0.00 2.42 1.98 0.37 0.27 118.68 126.59 1ktt s LEU 46 Ca -0.14 0.54 0.03 0.00 -2.89 0.00 0.00 54.13 51.67 1ktt s LEU 46 Cb -0.08 -2.54 0.00 0.00 0.66 0.00 0.00 46.19 44.23 1ktt s LEU 46 CO 0.00 -0.09 0.40 2.30 -1.89 0.00 0.00 176.35 177.07 1ktt n ILE 47 N 4.38 0.00 -3.90 6.68 -5.35 -0.68 -1.66 119.36 118.82 1ktt n ILE 47 Ca -0.08 -0.47 -0.01 0.00 -0.27 0.00 0.00 62.75 61.92 1ktt n ILE 47 Cb 0.51 1.04 0.01 0.00 -1.74 0.00 0.00 39.64 39.46 1ktt n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1ktt s SER 48 N -0.67 -0.00 0.00 7.28 1.04 -1.22 -4.70 113.70 115.43 1ktt s SER 48 Ca 0.03 -0.47 0.17 0.00 0.48 0.00 0.00 55.95 56.15 1ktt s SER 48 Cb 0.02 0.35 0.80 0.00 0.10 0.00 0.00 66.02 67.30 1ktt s SER 48 CO 0.07 -0.70 1.50 -0.90 0.98 0.00 0.00 173.24 174.19 1ktt n ASP 49 N -1.10 0.00 0.00 7.02 5.68 -1.26 -3.58 116.55 123.31 1ktt n ASP 49 Ca -0.01 0.18 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1ktt n ASP 49 Cb 0.59 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1ktt n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ktt n ARG 50 N -1.35 -0.02 -5.15 0.11 1.74 -1.26 -1.11 116.66 109.63 1ktt n ARG 50 Ca 0.07 -0.10 -0.31 0.00 -0.77 0.00 0.00 57.85 56.73 1ktt n ARG 50 Cb 0.15 -0.56 -0.17 0.00 -1.02 0.00 0.00 32.46 30.86 1ktt n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1ktt s TRP 51 N -0.03 2.47 -0.10 -1.55 0.52 -1.23 -0.64 118.94 118.37 1ktt s TRP 51 Ca 0.00 -1.01 0.03 0.00 0.02 0.00 0.00 56.10 55.13 1ktt s TRP 51 Cb 0.00 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.65 1ktt s TRP 51 CO 0.00 -0.41 -0.19 0.08 0.02 0.00 0.00 176.95 176.45 1ktt s VAL 52 N 0.39 2.58 -0.11 4.03 1.01 -0.49 -1.69 120.40 126.12 1ktt s VAL 52 Ca -0.18 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 1ktt s VAL 52 Cb -0.18 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1ktt s VAL 52 CO 0.08 0.55 0.12 -0.22 0.00 0.00 0.00 175.10 175.63 1ktt s LEU 53 N 0.16 4.24 0.00 3.92 2.96 0.14 -1.34 118.68 128.76 1ktt s LEU 53 Ca -0.10 0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 54.08 1ktt s LEU 53 Cb -0.16 -2.06 0.05 0.00 0.50 0.00 0.00 46.19 44.53 1ktt s LEU 53 CO 0.06 0.40 0.75 1.07 -1.32 0.00 0.00 176.35 177.30 1ktt n THR 54 N 1.94 0.00 -2.86 3.68 5.66 -0.66 -0.01 114.28 122.03 1ktt n THR 54 Ca -0.19 -1.02 -0.40 0.00 -3.05 0.00 0.00 64.05 59.39 1ktt n THR 54 Cb 0.55 0.97 -0.06 0.00 -1.55 0.00 0.00 70.33 70.24 1ktt n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ktt s ALA 55 N -2.10 3.38 0.27 1.79 0.00 -1.25 -0.51 121.76 123.33 1ktt s ALA 55 Ca 0.16 0.49 -0.03 0.00 0.00 0.00 0.00 51.96 52.58 1ktt s ALA 55 Cb -0.05 -3.09 0.38 0.00 0.00 0.00 0.00 23.12 20.36 1ktt s ALA 55 CO 0.12 0.22 1.90 0.00 0.00 0.00 0.00 175.76 178.01 1ktt h ALA 56 N 4.40 1.38 0.00 0.00 0.00 -1.68 -2.05 119.26 121.31 1ktt h ALA 56 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ktt h ALA 56 Cb 1.20 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ktt h ALA 56 CO 0.68 0.51 0.00 1.12 0.00 0.00 0.00 179.25 181.55 1ktt h HIS 57 N 1.22 0.00 0.00 0.00 2.07 -1.89 0.74 115.15 117.29 1ktt h HIS 57 Ca 0.40 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.89 1ktt h HIS 57 Cb 0.06 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.03 1ktt h HIS 57 CO -0.00 0.00 -0.16 0.00 -3.07 0.00 0.00 177.93 174.70 1ktt n LEU 59 N -3.62 2.32 -4.01 0.00 4.77 -0.46 -4.90 117.00 111.11 1ktt n LEU 59 Ca -0.01 0.02 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 1ktt n LEU 59 Cb 0.28 -0.54 -0.17 0.00 -2.33 0.00 0.00 43.42 40.67 1ktt n LEU 59 CO 0.31 0.62 -0.48 -0.22 -1.33 0.00 0.00 177.39 176.29 1ktt s LEU 60 N -6.30 1.62 0.03 2.23 2.96 0.13 -1.79 118.68 117.56 1ktt s LEU 60 Ca -0.22 -0.45 -0.28 0.00 -0.22 0.00 0.00 54.13 52.96 1ktt s LEU 60 Cb 0.07 -1.12 0.09 0.00 0.50 0.00 0.00 46.19 45.73 1ktt s LEU 60 CO 0.34 -0.06 0.89 -0.47 -1.32 0.00 0.00 176.35 175.74 1ktt s TYR 60 N 1.46 -0.31 0.00 5.38 5.04 0.88 -3.80 117.35 126.00 1ktt s TYR 60 Ca 0.04 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 54.81 1ktt s TYR 60 Cb -0.13 0.56 0.00 0.00 0.35 0.00 0.00 41.96 42.74 1ktt s TYR 60 CO -0.09 -0.61 0.00 -2.30 -1.34 0.00 0.00 175.55 171.20 1ktt n PRO 60 N -0.30 0.00 -0.75 4.97 -0.02 -1.26 -2.14 135.00 135.50 1ktt n PRO 60 Ca -0.09 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.44 1ktt n PRO 60 Cb 0.62 -0.10 0.32 0.00 -0.02 0.00 0.00 33.50 34.32 1ktt n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1ktt n TRP 60 N 0.00 1.69 -3.63 6.00 8.01 -1.26 -4.95 117.44 123.30 1ktt n TRP 60 Ca 0.00 -0.94 -0.22 0.00 -1.31 0.00 0.00 57.50 55.03 1ktt n TRP 60 Cb 0.00 -0.48 0.04 0.00 -2.01 0.00 0.00 31.31 28.86 1ktt n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1ktt n ASP 60 N -0.07 -2.42 -4.05 -0.99 8.00 -1.16 -4.99 116.55 110.86 1ktt n ASP 60 Ca 0.29 -0.82 -0.31 0.00 0.71 0.00 0.00 54.79 54.66 1ktt n ASP 60 Cb 1.12 -4.17 -0.16 0.00 -0.02 0.00 0.00 41.12 37.88 1ktt n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1ktt s LYS 60 N -5.75 2.47 -0.47 -1.24 2.20 -0.91 -5.01 119.74 111.03 1ktt s LYS 60 Ca 0.12 -0.63 0.06 0.00 -0.36 0.00 0.00 55.97 55.16 1ktt s LYS 60 Cb -0.03 -2.19 0.27 0.00 -1.51 0.00 0.00 37.83 34.37 1ktt s LYS 60 CO 0.80 -0.20 0.96 -1.71 -0.36 0.00 0.00 175.35 174.85 1ktt n ASN 60 N 4.63 -2.56 -4.75 1.43 5.15 -1.17 -0.09 115.26 117.90 1ktt n ASN 60 Ca -0.18 -3.43 -0.34 0.00 -0.60 0.00 0.00 54.58 50.03 1ktt n ASN 60 Cb 0.50 1.76 0.06 0.00 -0.53 0.00 0.00 39.78 41.57 1ktt n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1ktt s PHE 60 N 0.44 2.40 0.33 1.20 0.08 -0.74 -5.01 117.98 116.68 1ktt s PHE 60 Ca 0.29 1.56 0.09 0.00 0.12 0.00 0.00 56.93 58.99 1ktt s PHE 60 Cb 0.25 -3.33 -0.06 0.00 -0.57 0.00 0.00 43.02 39.31 1ktt s PHE 60 CO -0.17 -2.07 -0.10 0.95 -0.10 0.00 0.00 175.22 173.74 1ktt s THR 60 N -2.05 2.18 0.17 0.64 -4.23 -1.26 -4.91 115.64 106.18 1ktt s THR 60 Ca 0.72 -2.21 -0.23 0.00 -1.18 0.00 0.00 61.69 58.78 1ktt s THR 60 Cb -0.25 -2.61 0.04 0.00 1.34 0.00 0.00 72.50 71.03 1ktt s THR 60 CO 0.40 -0.22 1.40 -0.62 -0.54 0.00 0.00 174.62 175.04 1ktt n GLU 61 N -0.76 -0.33 0.10 3.99 4.71 -1.26 -1.07 120.64 126.02 1ktt n GLU 61 Ca -0.05 1.38 0.08 0.00 -0.01 0.00 0.00 57.16 58.56 1ktt n GLU 61 Cb 0.63 -2.04 0.41 0.00 -1.01 0.00 0.00 31.44 29.43 1ktt n GLU 61 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ktt n ASN 62 N -5.21 0.40 0.11 1.62 4.13 -1.26 -1.88 115.26 113.17 1ktt n ASN 62 Ca 0.05 0.66 0.12 0.00 1.68 0.00 0.00 54.58 57.08 1ktt n ASN 62 Cb 0.28 -0.72 0.12 0.00 -1.54 0.00 0.00 39.78 37.93 1ktt n ASN 62 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 1ktt h ASP 63 N 0.00 0.00 -2.21 6.41 3.32 -1.51 -3.48 116.42 118.96 1ktt h ASP 63 Ca 0.00 -0.07 -0.51 0.00 0.02 0.00 0.00 57.03 56.47 1ktt h ASP 63 Cb 0.11 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 1ktt h ASP 63 CO 0.00 0.04 -0.53 -0.76 -1.72 0.00 0.00 179.24 176.27 1ktt s LEU 64 N -5.06 3.79 -0.04 1.55 1.43 -0.79 -2.86 118.68 116.70 1ktt s LEU 64 Ca 0.04 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1ktt s LEU 64 Cb 0.10 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1ktt s LEU 64 CO 0.73 -0.03 0.16 -0.22 0.23 0.00 0.00 176.35 177.22 1ktt s LEU 65 N -3.82 1.41 -0.19 1.79 2.96 -0.67 -4.46 118.68 115.69 1ktt s LEU 65 Ca 0.33 0.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.35 1ktt s LEU 65 Cb -0.08 0.63 -0.02 0.00 0.50 0.00 0.00 46.19 47.22 1ktt s LEU 65 CO 0.25 -0.17 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.37 1ktt s VAL 66 N -0.45 3.62 -0.26 1.68 1.01 -0.11 -0.96 120.40 124.94 1ktt s VAL 66 Ca -0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1ktt s VAL 66 Cb -0.04 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.73 1ktt s VAL 66 CO 0.01 0.45 -0.00 -0.13 0.00 0.00 0.00 175.10 175.42 1ktt s ARG 67 N 0.98 3.13 0.07 2.72 0.52 -0.07 0.16 118.95 126.45 1ktt s ARG 67 Ca 0.00 -0.80 0.08 0.00 -0.52 0.00 0.00 55.73 54.48 1ktt s ARG 67 Cb -0.15 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 1ktt s ARG 67 CO 0.01 -0.34 -0.17 0.42 0.02 0.00 0.00 175.30 175.24 1ktt s ILE 68 N 1.44 2.89 0.00 1.52 1.01 -0.56 -0.08 121.20 127.43 1ktt s ILE 68 Ca 0.03 -1.29 0.00 0.00 0.00 0.00 0.00 60.65 59.39 1ktt s ILE 68 Cb -0.16 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1ktt s ILE 68 CO -0.01 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.77 1ktt n GLY 69 N 1.22 0.49 3.90 6.18 0.00 -1.25 -0.55 105.19 115.18 1ktt n GLY 69 Ca -0.16 -0.77 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 1ktt n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ktt s LYS 70 N -1.43 3.58 0.07 1.61 1.02 -1.26 -4.17 119.74 119.16 1ktt s LYS 70 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 55.97 56.28 1ktt s LYS 70 Cb 0.00 -2.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 1ktt s LYS 70 CO 0.00 -0.21 0.00 1.58 -0.92 0.00 0.00 175.35 175.80 1ktt n HIS 71 N -2.15 -0.47 -2.57 3.18 -0.00 -1.26 -4.95 115.22 107.01 1ktt n HIS 71 Ca 0.01 0.08 -0.36 0.00 -0.00 0.00 0.00 57.72 57.45 1ktt n HIS 71 Cb 0.55 0.29 -0.04 0.00 -0.00 0.00 0.00 29.99 30.79 1ktt n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ktt s SER 72 N -5.15 6.76 -0.11 0.26 0.15 -1.26 -0.51 113.70 113.85 1ktt s SER 72 Ca 0.00 2.01 -0.06 0.00 0.70 0.00 0.00 55.95 58.59 1ktt s SER 72 Cb 0.00 -2.58 -0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1ktt s SER 72 CO 0.00 -0.49 0.13 -0.09 1.20 0.00 0.00 173.24 173.99 1ktt h ARG 73 N 2.44 0.00 0.00 5.44 2.43 -1.50 -3.41 114.38 119.78 1ktt h ARG 73 Ca -0.48 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.44 1ktt h ARG 73 Cb 1.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1ktt h ARG 73 CO 0.62 0.20 -1.36 1.79 -1.51 0.00 0.00 179.97 179.71 1ktt h THR 74 N -1.00 1.17 -3.91 0.20 1.35 -1.87 -3.48 112.91 105.38 1ktt h THR 74 Ca -0.01 -2.93 -0.47 0.00 -0.55 0.00 0.00 66.41 62.45 1ktt h THR 74 Cb 0.24 2.57 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1ktt h THR 74 CO -0.00 0.67 0.37 -0.13 -0.25 0.00 0.00 175.52 176.17 1ktt s ARG 75 N -2.68 4.47 -0.59 4.72 3.00 -1.26 -4.99 118.95 121.62 1ktt s ARG 75 Ca -0.02 1.39 -0.26 0.00 0.00 0.00 0.00 55.73 56.84 1ktt s ARG 75 Cb 0.09 -2.73 0.04 0.00 0.00 0.00 0.00 34.95 32.35 1ktt s ARG 75 CO 0.82 0.16 1.06 -0.47 0.00 0.00 0.00 175.30 176.87 1ktt s TYR 76 N -1.63 2.67 -1.20 -0.53 5.04 -1.26 -4.84 117.35 115.59 1ktt s TYR 76 Ca 0.52 0.07 -0.20 0.00 -2.44 0.00 0.00 57.07 55.02 1ktt s TYR 76 Cb -0.20 -4.29 0.06 0.00 0.35 0.00 0.00 41.96 37.88 1ktt s TYR 76 CO 0.25 -1.53 1.65 -1.21 -1.34 0.00 0.00 175.55 173.37 1ktt s GLU 77 N 4.47 3.81 0.28 4.97 2.02 -1.26 -4.97 118.70 128.01 1ktt s GLU 77 Ca 0.34 -1.66 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 1ktt s GLU 77 Cb -0.11 -5.47 -0.12 0.00 0.10 0.00 0.00 34.13 28.53 1ktt s GLU 77 CO 0.20 -2.29 1.52 -2.13 0.02 0.00 0.00 175.26 172.58 1ktt n ARG 77 N 8.57 2.45 -0.93 1.61 0.63 -1.26 -1.21 116.66 126.52 1ktt n ARG 77 Ca 0.43 0.87 0.00 0.00 -0.92 0.00 0.00 57.85 58.24 1ktt n ARG 77 Cb 0.48 -2.61 0.00 0.00 0.45 0.00 0.00 32.46 30.78 1ktt n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1ktt n ASN 78 N 2.13 -3.15 0.07 6.15 5.03 -1.26 -4.76 115.26 119.47 1ktt n ASN 78 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1ktt n ASN 78 Cb 0.35 -1.75 0.00 0.00 -1.02 0.00 0.00 39.78 37.36 1ktt n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1ktt n ILE 79 N -2.36 0.69 -1.86 2.41 5.41 -0.83 -5.09 119.36 117.73 1ktt n ILE 79 Ca 0.00 0.23 -0.31 0.00 1.00 0.00 0.00 62.75 63.67 1ktt n ILE 79 Cb 0.17 -1.14 0.02 0.00 -0.71 0.00 0.00 39.64 37.98 1ktt n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1ktt s GLU 80 N -1.81 3.46 -0.07 0.38 -1.05 -0.35 -4.80 118.70 114.46 1ktt s GLU 80 Ca 0.00 0.72 0.00 0.00 -0.15 0.00 0.00 54.97 55.54 1ktt s GLU 80 Cb 0.00 -2.07 0.02 0.00 -0.44 0.00 0.00 34.13 31.65 1ktt s GLU 80 CO 0.00 -0.66 -0.05 0.15 0.95 0.00 0.00 175.26 175.65 1ktt s LYS 81 N -5.20 1.06 -0.21 -4.83 1.02 0.29 -4.90 119.74 106.96 1ktt s LYS 81 Ca 0.56 -0.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.27 1ktt s LYS 81 Cb -0.11 -1.16 -0.04 0.00 -0.52 0.00 0.00 37.83 36.00 1ktt s LYS 81 CO 0.54 -0.19 0.42 0.42 -0.92 0.00 0.00 175.35 175.61 1ktt s ILE 82 N 1.44 5.18 0.13 2.17 1.01 -1.26 -1.49 121.20 128.37 1ktt s ILE 82 Ca -0.02 0.73 0.10 0.00 0.00 0.00 0.00 60.65 61.45 1ktt s ILE 82 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1ktt s ILE 82 CO -0.03 0.22 -0.20 -0.44 0.00 0.00 0.00 174.94 174.48 1ktt s SER 83 N 1.17 3.75 0.09 3.58 0.01 0.12 -4.96 113.70 117.47 1ktt s SER 83 Ca 0.19 -0.62 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 1ktt s SER 83 Cb -0.15 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 1ktt s SER 83 CO 0.08 0.17 0.27 -0.04 0.41 0.00 0.00 173.24 174.14 1ktt s MET 84 N -2.17 3.50 -0.01 12.44 -1.94 -1.26 -0.93 119.30 128.92 1ktt s MET 84 Ca 0.17 -0.34 -0.21 0.00 -1.71 0.00 0.00 55.69 53.60 1ktt s MET 84 Cb -0.10 -2.97 -0.05 0.00 2.01 0.00 0.00 34.83 33.72 1ktt s MET 84 CO 0.09 0.55 0.63 -0.51 -0.01 0.00 0.00 175.02 175.78 1ktt s LEU 85 N -2.62 4.40 -0.19 -0.03 1.43 -1.26 -0.90 118.68 119.51 1ktt s LEU 85 Ca 0.37 1.19 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 1ktt s LEU 85 Cb -0.13 -2.98 -0.21 0.00 0.03 0.00 0.00 46.19 42.90 1ktt s LEU 85 CO 0.27 0.05 0.15 1.21 0.23 0.00 0.00 176.35 178.26 1ktt n GLU 86 N 2.93 0.67 -3.65 1.70 2.13 0.17 -4.73 120.64 119.86 1ktt n GLU 86 Ca -0.05 0.34 -0.13 0.00 0.66 0.00 0.00 57.16 57.97 1ktt n GLU 86 Cb 0.51 -1.67 -0.07 0.00 0.27 0.00 0.00 31.44 30.48 1ktt n GLU 86 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1ktt s LYS 87 N -2.49 0.78 -0.09 5.31 2.47 -1.15 -4.99 119.74 119.57 1ktt s LYS 87 Ca -0.28 0.95 -0.04 0.00 -1.56 0.00 0.00 55.97 55.04 1ktt s LYS 87 Cb 0.08 0.37 -0.04 0.00 -1.46 0.00 0.00 37.83 36.78 1ktt s LYS 87 CO 0.66 -0.10 0.08 0.42 0.16 0.00 0.00 175.35 176.57 1ktt s ILE 88 N 0.44 4.96 -0.10 5.43 1.01 -1.26 -0.91 121.20 130.76 1ktt s ILE 88 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1ktt s ILE 88 Cb -0.05 -3.15 0.02 0.00 0.01 0.00 0.00 42.46 39.29 1ktt s ILE 88 CO -0.00 0.58 -0.10 -0.31 0.00 0.00 0.00 174.94 175.11 1ktt s TYR 89 N -1.00 1.54 -0.06 3.97 1.51 0.15 -5.00 117.35 118.46 1ktt s TYR 89 Ca 0.15 -0.72 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1ktt s TYR 89 Cb -0.12 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 1ktt s TYR 89 CO 0.05 -0.46 -0.13 0.42 -1.11 0.00 0.00 175.55 174.32 1ktt s ILE 90 N 1.37 3.18 0.20 2.71 1.01 -1.26 0.00 121.20 128.41 1ktt s ILE 90 Ca -0.01 -0.67 -0.33 0.00 0.00 0.00 0.00 60.65 59.65 1ktt s ILE 90 Cb -0.14 -2.27 -0.14 0.00 0.01 0.00 0.00 42.46 39.93 1ktt s ILE 90 CO -0.05 0.58 1.44 1.57 0.00 0.00 0.00 174.94 178.49 1ktt n HIS 91 N 2.46 2.10 0.28 3.97 -0.00 -1.18 -4.86 115.22 118.00 1ktt n HIS 91 Ca -0.17 0.41 0.13 0.00 -0.00 0.00 0.00 57.72 58.08 1ktt n HIS 91 Cb 0.52 -2.47 0.82 0.00 -0.00 0.00 0.00 29.99 28.87 1ktt n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1ktt h PRO 92 N 4.74 0.00 -0.46 1.57 0.13 -1.95 -2.61 132.00 133.42 1ktt h PRO 92 Ca -0.45 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.49 1ktt h PRO 92 Cb 1.28 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 1ktt h PRO 92 CO 0.80 0.01 0.08 0.54 -0.23 0.00 0.00 178.00 179.19 1ktt n ARG 93 N -4.06 2.33 -1.98 0.86 1.74 -1.26 -4.98 116.66 109.31 1ktt n ARG 93 Ca -0.03 -3.07 -0.43 0.00 -0.77 0.00 0.00 57.85 53.55 1ktt n ARG 93 Cb 0.09 -1.91 -0.03 0.00 -1.02 0.00 0.00 32.46 29.59 1ktt n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ktt s TYR 94 N -3.13 1.85 -0.97 -1.55 5.04 -0.99 -4.72 117.35 112.88 1ktt s TYR 94 Ca 0.47 0.40 -0.15 0.00 -2.44 0.00 0.00 57.07 55.35 1ktt s TYR 94 Cb 0.41 -4.01 0.18 0.00 0.35 0.00 0.00 41.96 38.88 1ktt s TYR 94 CO 0.05 -3.48 1.08 1.21 -1.34 0.00 0.00 175.55 173.07 1ktt s ASN 95 N 4.87 6.83 0.12 4.32 3.84 0.34 -4.78 114.94 130.47 1ktt s ASN 95 Ca 0.78 -2.58 0.25 0.00 0.21 0.00 0.00 52.86 51.52 1ktt s ASN 95 Cb -0.29 -2.32 0.62 0.00 -0.55 0.00 0.00 41.25 38.71 1ktt s ASN 95 CO 0.32 -0.78 1.55 -2.67 -2.79 0.00 0.00 177.10 172.73 1ktt n TRP 96 N 5.20 0.53 -0.03 0.43 4.27 -1.26 0.11 117.44 126.69 1ktt n TRP 96 Ca 0.23 0.15 -0.15 0.00 -3.89 0.00 0.00 57.50 53.85 1ktt n TRP 96 Cb 0.46 -0.67 -0.09 0.00 -1.36 0.00 0.00 31.31 29.65 1ktt n TRP 96 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1ktt h ARG 97 N 0.00 0.39 0.00 -2.67 3.08 -1.99 -3.43 114.38 109.76 1ktt h ARG 97 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1ktt h ARG 97 Cb 0.68 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1ktt h ARG 97 CO 0.00 0.94 0.00 -1.91 -1.07 0.00 0.00 179.97 177.93 1ktt n GLU 97 N -4.38 0.00 -0.44 0.04 2.13 -1.25 -4.94 120.64 111.79 1ktt n GLU 97 Ca -0.08 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.79 1ktt n GLU 97 Cb 0.52 -0.43 0.08 0.00 0.27 0.00 0.00 31.44 31.88 1ktt n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1ktt n ASN 98 N -2.44 1.22 -1.98 4.31 0.23 -1.23 -4.98 115.26 110.38 1ktt n ASN 98 Ca 0.00 -2.64 -0.21 0.00 -0.53 0.00 0.00 54.58 51.21 1ktt n ASN 98 Cb 0.00 -0.34 -0.05 0.00 -2.08 0.00 0.00 39.78 37.31 1ktt n ASN 98 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1ktt n LEU 99 N -0.64 -1.73 -4.69 -4.53 4.77 0.30 -4.90 117.00 105.57 1ktt n LEU 99 Ca 0.09 0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 1ktt n LEU 99 Cb 0.72 -2.90 -0.02 0.00 -2.33 0.00 0.00 43.42 38.89 1ktt n LEU 99 CO -0.00 -0.66 0.99 -0.67 -1.33 0.00 0.00 177.39 175.71 1ktt n ASP 100 N -1.67 2.90 -3.19 -1.43 2.03 -1.11 -1.95 116.55 112.13 1ktt n ASP 100 Ca -0.23 1.17 -0.16 0.00 0.52 0.00 0.00 54.79 56.10 1ktt n ASP 100 Cb 0.69 -1.48 0.08 0.00 -0.72 0.00 0.00 41.12 39.69 1ktt n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ktt n ARG 101 N 1.34 -6.11 -2.18 -0.67 1.74 -1.26 -0.51 116.66 109.01 1ktt n ARG 101 Ca 0.08 0.76 -0.40 0.00 -0.77 0.00 0.00 57.85 57.51 1ktt n ARG 101 Cb 0.34 -5.52 -0.02 0.00 -1.02 0.00 0.00 32.46 26.25 1ktt n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ktt n ASP 102 N -2.85 4.17 -3.81 0.55 2.03 -0.82 -4.48 116.55 111.33 1ktt n ASP 102 Ca -0.22 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.12 1ktt n ASP 102 Cb 0.64 -1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 39.27 1ktt n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1ktt s ILE 103 N 5.25 0.06 0.02 5.18 2.07 -1.26 -3.74 121.20 128.78 1ktt s ILE 103 Ca 0.55 -0.52 -0.24 0.00 -1.41 0.00 0.00 60.65 59.03 1ktt s ILE 103 Cb 0.06 -0.50 0.06 0.00 0.13 0.00 0.00 42.46 42.21 1ktt s ILE 103 CO 0.05 -0.28 0.56 0.00 -1.91 0.00 0.00 174.94 173.36 1ktt s ALA 104 N -1.19 -1.43 0.07 1.50 0.00 0.34 -3.10 121.76 117.95 1ktt s ALA 104 Ca -0.13 0.80 0.08 0.00 0.00 0.00 0.00 51.96 52.71 1ktt s ALA 104 Cb -0.06 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1ktt s ALA 104 CO 0.03 -0.45 -0.20 -0.51 0.00 0.00 0.00 175.76 174.63 1ktt s LEU 105 N -1.70 2.56 -0.10 0.00 1.43 0.10 -1.66 118.68 119.30 1ktt s LEU 105 Ca -0.08 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.52 1ktt s LEU 105 Cb -0.01 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.76 1ktt s LEU 105 CO 0.02 0.23 -0.08 -0.04 0.23 0.00 0.00 176.35 176.72 1ktt s MET 106 N -1.63 1.47 -0.24 1.70 -1.94 -0.45 0.32 119.30 118.53 1ktt s MET 106 Ca 0.15 -0.25 -0.17 0.00 -1.71 0.00 0.00 55.69 53.72 1ktt s MET 106 Cb -0.10 -1.50 -0.03 0.00 2.01 0.00 0.00 34.83 35.20 1ktt s MET 106 CO 0.06 -0.22 0.45 0.21 -0.01 0.00 0.00 175.02 175.51 1ktt s LYS 107 N 1.56 4.10 0.43 2.03 2.20 -0.09 -1.40 119.74 128.57 1ktt s LYS 107 Ca 0.02 0.23 -0.23 0.00 -0.36 0.00 0.00 55.97 55.63 1ktt s LYS 107 Cb -0.13 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.49 1ktt s LYS 107 CO -0.06 -0.23 1.04 -0.51 -0.36 0.00 0.00 175.35 175.23 1ktt s LEU 108 N 1.91 4.04 0.16 5.43 1.43 0.18 0.45 118.68 132.28 1ktt s LEU 108 Ca 0.19 1.99 -0.14 0.00 -1.03 0.00 0.00 54.13 55.14 1ktt s LEU 108 Cb -0.15 -4.32 0.04 0.00 0.03 0.00 0.00 46.19 41.79 1ktt s LEU 108 CO 0.09 -0.58 1.75 0.11 0.23 0.00 0.00 176.35 177.95 1ktt h LYS 109 N 2.17 0.72 -5.91 1.70 1.57 -1.31 -3.42 116.57 112.10 1ktt h LYS 109 Ca -0.49 -0.10 -0.53 0.00 -1.87 0.00 0.00 60.65 57.66 1ktt h LYS 109 Cb 1.22 -0.13 -0.23 0.00 0.08 0.00 0.00 32.23 33.16 1ktt h LYS 109 CO 0.61 0.59 -0.82 0.15 -0.57 0.00 0.00 179.45 179.41 1ktt s LYS 110 N -5.74 1.13 0.55 3.15 1.02 -1.26 -5.00 119.74 113.59 1ktt s LYS 110 Ca -0.13 -1.01 -0.21 0.00 0.02 0.00 0.00 55.97 54.64 1ktt s LYS 110 Cb 0.12 -1.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.10 1ktt s LYS 110 CO 0.76 0.31 1.27 -1.25 -0.92 0.00 0.00 175.35 175.52 1ktt s PRO 111 N -1.55 3.16 0.06 -1.68 0.04 -1.26 -4.88 135.00 128.89 1ktt s PRO 111 Ca 0.05 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 1ktt s PRO 111 Cb -0.09 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1ktt s PRO 111 CO 0.03 -1.11 0.36 0.54 0.04 0.00 0.00 177.00 176.86 1ktt s VAL 112 N -1.44 5.16 -0.12 -0.36 0.11 -0.27 -5.02 120.40 118.47 1ktt s VAL 112 Ca 0.73 0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 59.84 1ktt s VAL 112 Cb -0.35 -3.62 -0.01 0.00 -1.53 0.00 0.00 36.38 30.87 1ktt s VAL 112 CO 0.40 0.30 0.97 0.00 -3.33 0.00 0.00 175.10 173.45 1ktt s ALA 113 N -1.38 3.43 0.74 1.54 0.00 -1.26 -4.82 121.76 120.02 1ktt s ALA 113 Ca 0.32 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1ktt s ALA 113 Cb -0.14 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1ktt s ALA 113 CO 0.18 -0.62 1.10 -0.06 0.00 0.00 0.00 175.76 176.36 1ktt s PHE 114 N 2.05 2.56 0.00 0.00 0.08 -1.26 -4.88 117.98 116.53 1ktt s PHE 114 Ca 0.46 1.56 0.00 0.00 0.12 0.00 0.00 56.93 59.07 1ktt s PHE 114 Cb -0.18 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.17 1ktt s PHE 114 CO 0.17 -1.80 0.00 -1.13 -0.10 0.00 0.00 175.22 172.36 1ktt n SER 115 N -3.18 0.00 0.28 1.36 3.41 0.12 -4.93 113.62 110.68 1ktt n SER 115 Ca 0.10 -0.97 0.15 0.00 -0.26 0.00 0.00 58.87 57.89 1ktt n SER 115 Cb 0.53 0.00 0.80 0.00 -0.26 0.00 0.00 64.21 65.27 1ktt n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1ktt h ASP 116 N 0.00 0.00 -0.01 4.04 3.32 -1.98 -2.98 116.42 118.81 1ktt h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ktt h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ktt h ASP 116 CO 0.00 0.08 -0.38 -1.22 -1.72 0.00 0.00 179.24 176.00 1ktt n TYR 117 N -3.47 0.00 -3.90 4.55 4.01 -1.26 -4.74 117.16 112.35 1ktt n TYR 117 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 1ktt n TYR 117 Cb 0.22 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.09 1ktt n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1ktt s ILE 118 N -1.81 1.13 -0.28 -0.72 1.01 -1.13 -4.12 121.20 115.28 1ktt s ILE 118 Ca 0.09 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 59.97 1ktt s ILE 118 Cb 0.10 -1.27 0.10 0.00 0.01 0.00 0.00 42.46 41.40 1ktt s ILE 118 CO 0.39 0.18 0.78 -2.28 0.00 0.00 0.00 174.94 174.01 1ktt s HIS 119 N 1.63 -0.89 0.64 3.97 2.46 -0.41 -0.70 115.29 122.00 1ktt s HIS 119 Ca 0.01 1.83 -0.17 0.00 0.47 0.00 0.00 55.06 57.20 1ktt s HIS 119 Cb -0.15 0.51 -0.01 0.00 -0.13 0.00 0.00 32.58 32.81 1ktt s HIS 119 CO -0.08 -0.44 1.23 -1.25 -2.47 0.00 0.00 174.74 171.73 1ktt s PRO 120 N 1.34 2.65 0.22 2.88 0.04 -1.26 -2.67 135.00 138.19 1ktt s PRO 120 Ca -0.08 1.85 0.05 0.00 0.04 0.00 0.00 61.00 62.87 1ktt s PRO 120 Cb -0.05 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 1ktt s PRO 120 CO -0.15 -1.47 0.29 0.54 0.04 0.00 0.00 177.00 176.25 1ktt s VAL 121 N -1.67 5.03 0.31 -0.36 0.11 -0.67 -4.91 120.40 118.25 1ktt s VAL 121 Ca 0.78 -1.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.66 1ktt s VAL 121 Cb -0.32 -3.69 -0.08 0.00 -1.53 0.00 0.00 36.38 30.76 1ktt s VAL 121 CO 0.38 -0.27 0.69 0.00 -3.33 0.00 0.00 175.10 172.57 1ktt s LEU 123 N -3.02 4.18 0.80 0.00 1.43 -1.26 -1.58 118.68 119.23 1ktt s LEU 123 Ca 0.52 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.77 1ktt s LEU 123 Cb -0.10 -2.06 0.08 0.00 0.03 0.00 0.00 46.19 44.14 1ktt s LEU 123 CO 0.19 0.24 1.13 -2.16 0.23 0.00 0.00 176.35 175.99 1ktt s PRO 124 N -0.01 1.85 0.39 1.29 0.04 -1.26 -4.97 135.00 132.34 1ktt s PRO 124 Ca 0.09 1.43 0.08 0.00 0.04 0.00 0.00 61.00 62.63 1ktt s PRO 124 Cb -0.11 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1ktt s PRO 124 CO -0.00 -1.99 0.31 0.16 0.04 0.00 0.00 177.00 175.52 1ktt s ASP 125 N -2.83 4.99 0.24 6.66 3.84 -1.26 -4.85 116.67 123.47 1ktt s ASP 125 Ca 0.66 -0.73 -0.05 0.00 -0.00 0.00 0.00 52.55 52.43 1ktt s ASP 125 Cb -0.21 -0.66 0.45 0.00 -1.38 0.00 0.00 42.92 41.12 1ktt s ASP 125 CO 0.53 -0.54 1.71 -0.09 -0.00 0.00 0.00 175.17 176.78 1ktt h ARG 126 N 1.17 0.36 0.03 2.11 2.43 -1.97 -2.63 114.38 115.88 1ktt h ARG 126 Ca -0.42 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1ktt h ARG 126 Cb 1.26 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1ktt h ARG 126 CO 0.60 0.24 -0.01 0.93 -1.51 0.00 0.00 179.97 180.21 1ktt h GLU 127 N 0.37 -0.03 -0.31 0.20 3.07 -2.04 0.18 114.58 116.02 1ktt h GLU 127 Ca 0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1ktt h GLU 127 Cb 0.65 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1ktt h GLU 127 CO -0.44 0.13 0.00 2.41 -1.40 0.00 0.00 179.01 179.71 1ktt n THR 128 N -5.03 0.00 0.00 1.13 -1.04 -0.99 -1.07 114.28 107.28 1ktt n THR 128 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1ktt n THR 128 Cb 0.11 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.55 1ktt n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ktt n ALA 129 N 0.56 0.00 0.35 2.41 0.00 0.63 -1.39 120.51 123.07 1ktt n ALA 129 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1ktt n ALA 129 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 19.45 19.63 1ktt n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ktt h SER 129 N 0.00 0.00 0.00 0.00 4.64 -1.35 -3.39 113.55 113.45 1ktt h SER 129 Ca 0.00 -0.04 -0.29 0.00 -0.47 0.00 0.00 61.79 60.99 1ktt h SER 129 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1ktt h SER 129 CO 0.00 0.02 -2.10 0.18 -0.87 0.00 0.00 176.83 174.06 1ktt n LEU 129 N -2.63 0.04 -4.03 5.97 4.77 -0.49 -4.75 117.00 115.88 1ktt n LEU 129 Ca 0.03 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.59 1ktt n LEU 129 Cb 0.50 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 1ktt n LEU 129 CO 0.35 0.40 2.42 -0.11 -1.33 0.00 0.00 177.39 179.12 1ktt n LEU 130 N -2.60 6.19 -4.20 2.23 7.94 -1.26 -4.81 117.00 120.49 1ktt n LEU 130 Ca -0.26 -4.08 -0.19 0.00 -1.11 0.00 0.00 56.01 50.37 1ktt n LEU 130 Cb 1.02 -1.69 -0.12 0.00 0.53 0.00 0.00 43.42 43.16 1ktt n LEU 130 CO 0.34 0.78 -0.46 -1.10 -1.11 0.00 0.00 177.39 175.84 1ktt s GLN 131 N 3.48 0.89 0.24 1.96 -0.21 -1.26 -4.96 119.66 119.80 1ktt s GLN 131 Ca 0.49 -1.03 -0.31 0.00 0.02 0.00 0.00 55.36 54.53 1ktt s GLN 131 Cb 0.10 -0.91 -0.12 0.00 1.00 0.00 0.00 33.01 33.08 1ktt s GLN 131 CO -0.03 0.20 1.60 0.00 -2.12 0.00 0.00 175.29 174.94 1ktt n ALA 132 N 1.12 2.22 0.00 6.09 0.00 -1.26 -1.70 120.51 126.97 1ktt n ALA 132 Ca -0.20 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1ktt n ALA 132 Cb 0.55 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1ktt n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ktt n GLY 133 N 2.85 3.03 3.72 0.00 0.00 0.99 -4.94 105.19 110.84 1ktt n GLY 133 Ca 0.12 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1ktt n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ktt s TYR 134 N -1.78 3.09 0.12 1.61 1.51 -0.69 -4.53 117.35 116.69 1ktt s TYR 134 Ca 0.00 0.70 -0.14 0.00 -1.01 0.00 0.00 57.07 56.62 1ktt s TYR 134 Cb 0.00 -3.88 -0.07 0.00 -0.11 0.00 0.00 41.96 37.90 1ktt s TYR 134 CO 0.00 -3.21 0.52 0.15 -1.11 0.00 0.00 175.55 171.90 1ktt s LYS 135 N 1.06 3.95 0.46 -0.62 1.02 -1.26 -1.47 119.74 122.88 1ktt s LYS 135 Ca 0.69 0.45 0.04 0.00 0.02 0.00 0.00 55.97 57.17 1ktt s LYS 135 Cb -0.42 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 1ktt s LYS 135 CO 0.32 0.51 0.01 0.20 -0.92 0.00 0.00 175.35 175.46 1ktt s GLY 136 N -1.66 2.75 -0.08 -3.33 0.00 0.31 -4.84 107.32 100.47 1ktt s GLY 136 Ca 0.36 -1.38 0.04 0.00 0.00 0.00 0.00 44.72 43.74 1ktt s GLY 136 CO 0.19 -2.14 -0.21 -1.60 0.00 0.00 0.00 173.10 169.33 1ktt s ARG 137 N -3.79 2.54 -0.06 2.90 3.52 0.15 -0.16 118.95 124.05 1ktt s ARG 137 Ca 0.21 -0.77 0.06 0.00 -0.13 0.00 0.00 55.73 55.10 1ktt s ARG 137 Cb 0.06 -2.02 -0.01 0.00 -1.56 0.00 0.00 34.95 31.42 1ktt s ARG 137 CO 0.11 0.21 -0.25 0.08 -0.81 0.00 0.00 175.30 174.64 1ktt s VAL 138 N 0.23 2.03 0.11 7.11 1.01 0.00 -0.66 120.40 130.22 1ktt s VAL 138 Ca -0.13 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 60.86 1ktt s VAL 138 Cb -0.16 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1ktt s VAL 138 CO 0.06 0.56 -0.13 0.42 0.00 0.00 0.00 175.10 176.01 1ktt s THR 139 N -0.11 1.18 0.00 3.92 -4.23 -1.24 -1.60 115.64 113.56 1ktt s THR 139 Ca -0.05 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1ktt s THR 139 Cb -0.14 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.28 1ktt s THR 139 CO 0.04 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 1ktt n GLY 140 N 0.64 1.28 1.40 3.99 0.00 -0.53 -4.54 105.19 107.42 1ktt n GLY 140 Ca -0.16 -0.90 0.08 0.00 0.00 0.00 0.00 46.02 45.04 1ktt n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1ktt n TRP 141 N -0.46 1.38 -0.53 1.61 8.01 -1.26 -0.94 117.44 125.24 1ktt n TRP 141 Ca 0.00 -0.67 -0.22 0.00 -1.31 0.00 0.00 57.50 55.29 1ktt n TRP 141 Cb 0.00 -0.28 0.20 0.00 -2.01 0.00 0.00 31.31 29.22 1ktt n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ktt n GLY 142 N 0.64 -3.31 3.75 6.99 0.00 -1.26 -4.52 105.19 107.48 1ktt n GLY 142 Ca 0.24 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 1ktt n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ktt s ASN 143 N -3.25 5.13 0.16 1.61 0.01 0.65 -3.32 114.94 115.92 1ktt s ASN 143 Ca 0.51 2.51 0.23 0.00 -0.71 0.00 0.00 52.86 55.40 1ktt s ASN 143 Cb -0.07 -2.61 0.03 0.00 0.41 0.00 0.00 41.25 39.01 1ktt s ASN 143 CO 0.41 -1.64 1.05 0.18 -1.51 0.00 0.00 177.10 175.58 1ktt n LEU 144 N -1.49 0.75 -4.09 0.60 4.77 0.34 -1.11 117.00 116.77 1ktt n LEU 144 Ca 0.13 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.27 1ktt n LEU 144 Cb 0.48 -0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1ktt n LEU 144 CO 0.47 -0.14 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.47 1ktt s LYS 145 N -3.33 0.62 0.53 3.23 1.02 -1.26 -4.30 119.74 116.25 1ktt s LYS 145 Ca 0.00 -1.03 0.21 0.00 0.02 0.00 0.00 55.97 55.17 1ktt s LYS 145 Cb 0.11 -0.12 1.41 0.00 -0.52 0.00 0.00 37.83 38.71 1ktt s LYS 145 CO 0.79 -0.02 2.15 1.49 -0.92 0.00 0.00 175.35 178.84 1ktt h GLU 146 N 3.73 0.00 0.00 1.68 4.81 -1.91 -3.48 114.58 119.40 1ktt h GLU 146 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1ktt h GLU 146 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1ktt h GLU 146 CO 0.54 0.04 0.00 -2.37 -0.73 0.00 0.00 179.01 176.49 1ktt n THR 147 N -4.21 0.00 0.00 0.32 5.66 -1.26 -4.95 114.28 109.84 1ktt n THR 147 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1ktt n THR 147 Cb 0.13 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 1ktt n THR 147 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ktt n GLY 150 N 0.00 0.16 3.44 1.09 0.00 -1.26 -5.16 105.19 103.46 1ktt n GLY 150 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1ktt n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ktt s GLN 151 N 0.00 3.56 0.43 1.61 -1.52 -1.26 -0.50 119.66 121.98 1ktt s GLN 151 Ca 0.00 -0.57 -0.14 0.00 -1.95 0.00 0.00 55.36 52.70 1ktt s GLN 151 Cb 0.00 -2.89 -0.08 0.00 -0.22 0.00 0.00 33.01 29.83 1ktt s GLN 151 CO 0.00 0.15 0.84 -1.25 -0.25 0.00 0.00 175.29 174.78 1ktt s PRO 152 N 0.60 3.90 -0.07 2.91 0.04 -1.26 -4.97 135.00 136.14 1ktt s PRO 152 Ca -0.04 0.70 0.05 0.00 0.04 0.00 0.00 61.00 61.75 1ktt s PRO 152 Cb -0.15 -2.30 -0.24 0.00 0.04 0.00 0.00 34.50 31.85 1ktt s PRO 152 CO 0.03 -0.08 0.56 1.03 0.04 0.00 0.00 177.00 178.58 1ktt h SER 153 N 1.35 0.17 -4.21 6.66 0.87 -1.96 -3.43 113.55 113.00 1ktt h SER 153 Ca -0.47 -0.38 -0.57 0.00 -1.23 0.00 0.00 61.79 59.14 1ktt h SER 153 Cb 1.18 -0.06 -0.23 0.00 -0.44 0.00 0.00 62.40 62.85 1ktt h SER 153 CO 0.63 1.34 -0.83 -0.69 -0.53 0.00 0.00 176.83 176.75 1ktt s VAL 154 N -2.58 1.70 0.07 2.23 1.01 -1.26 -1.39 120.40 120.18 1ktt s VAL 154 Ca -0.11 -1.41 -0.37 0.00 0.00 0.00 0.00 61.98 60.08 1ktt s VAL 154 Cb 0.07 -1.52 -0.18 0.00 0.00 0.00 0.00 36.38 34.75 1ktt s VAL 154 CO 0.81 0.05 1.19 -0.11 0.00 0.00 0.00 175.10 177.03 1ktt n LEU 155 N 1.38 0.90 -4.92 3.92 7.94 0.34 -4.77 117.00 121.80 1ktt n LEU 155 Ca -0.19 1.14 -0.24 0.00 -1.11 0.00 0.00 56.01 55.62 1ktt n LEU 155 Cb 0.53 -1.08 -0.03 0.00 0.53 0.00 0.00 43.42 43.37 1ktt n LEU 155 CO 0.23 -1.47 -0.10 -1.10 -1.11 0.00 0.00 177.39 173.84 1ktt s GLN 156 N 0.16 3.30 -0.06 1.96 -1.52 -0.11 -0.53 119.66 122.85 1ktt s GLN 156 Ca 0.85 -0.76 -0.09 0.00 -1.95 0.00 0.00 55.36 53.41 1ktt s GLN 156 Cb -1.06 -2.84 0.02 0.00 -0.22 0.00 0.00 33.01 28.91 1ktt s GLN 156 CO 0.52 0.47 0.23 0.54 -0.25 0.00 0.00 175.29 176.80 1ktt s VAL 157 N -1.89 0.03 -0.14 1.09 0.11 0.08 -1.46 120.40 118.23 1ktt s VAL 157 Ca 0.34 -0.22 -0.17 0.00 -2.93 0.00 0.00 61.98 59.00 1ktt s VAL 157 Cb -0.10 -0.41 0.04 0.00 -1.53 0.00 0.00 36.38 34.39 1ktt s VAL 157 CO 0.27 -0.12 0.45 0.54 -3.33 0.00 0.00 175.10 172.92 1ktt s VAL 158 N -0.42 0.01 -0.15 2.04 0.11 -0.63 -1.53 120.40 119.83 1ktt s VAL 158 Ca -0.05 -0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 58.80 1ktt s VAL 158 Cb -0.03 -0.67 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 1ktt s VAL 158 CO 0.01 -0.05 0.22 0.20 -3.33 0.00 0.00 175.10 172.16 1ktt s ASN 159 N -0.15 6.39 0.00 3.54 0.01 -1.26 -0.82 114.94 122.66 1ktt s ASN 159 Ca -0.03 0.46 0.02 0.00 -0.71 0.00 0.00 52.86 52.60 1ktt s ASN 159 Cb -0.03 -2.14 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 1ktt s ASN 159 CO 0.02 0.21 -0.06 -0.76 -1.51 0.00 0.00 177.10 175.00 1ktt s LEU 160 N -0.05 2.04 0.25 0.60 1.43 0.77 -4.93 118.68 118.80 1ktt s LEU 160 Ca 0.14 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 1ktt s LEU 160 Cb -0.13 -0.28 -0.09 0.00 0.03 0.00 0.00 46.19 45.72 1ktt s LEU 160 CO 0.03 0.04 0.96 -2.16 0.23 0.00 0.00 176.35 175.45 1ktt s PRO 161 N -0.33 4.83 0.28 1.29 0.04 -1.26 -0.53 135.00 139.31 1ktt s PRO 161 Ca 0.01 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 1ktt s PRO 161 Cb -0.03 -3.27 -0.10 0.00 0.04 0.00 0.00 34.50 31.15 1ktt s PRO 161 CO -0.00 0.47 1.15 0.42 0.04 0.00 0.00 177.00 179.08 1ktt s ILE 162 N -1.18 3.36 0.05 0.56 1.01 -0.54 -0.13 121.20 124.33 1ktt s ILE 162 Ca 0.42 1.34 0.02 0.00 0.00 0.00 0.00 60.65 62.43 1ktt s ILE 162 Cb -0.27 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 1ktt s ILE 162 CO 0.33 0.31 0.07 -0.69 0.00 0.00 0.00 174.94 174.96 1ktt s VAL 163 N -1.03 4.53 0.29 2.92 1.01 -0.66 -0.01 120.40 127.44 1ktt s VAL 163 Ca 0.46 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.49 1ktt s VAL 163 Cb -0.33 -3.13 -0.13 0.00 0.00 0.00 0.00 36.38 32.79 1ktt s VAL 163 CO 0.43 0.22 1.40 -0.62 0.00 0.00 0.00 175.10 176.53 1ktt n GLU 164 N 0.77 2.19 -0.29 2.72 4.71 -1.26 -4.66 120.64 124.82 1ktt n GLU 164 Ca -0.11 0.78 0.08 0.00 -0.01 0.00 0.00 57.16 57.90 1ktt n GLU 164 Cb 0.52 -2.43 0.24 0.00 -1.01 0.00 0.00 31.44 28.75 1ktt n GLU 164 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ktt h ARG 165 N 3.72 0.51 -0.41 3.49 3.08 -1.98 -1.68 114.38 121.12 1ktt h ARG 165 Ca -0.46 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 59.62 1ktt h ARG 165 Cb 1.27 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 31.15 1ktt h ARG 165 CO 0.72 0.34 0.11 -1.35 -1.07 0.00 0.00 179.97 178.72 1ktt h PRO 166 N 0.53 0.25 -0.63 0.04 0.11 -2.00 -1.24 132.00 129.06 1ktt h PRO 166 Ca 0.48 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.58 1ktt h PRO 166 Cb 0.75 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.77 1ktt h PRO 166 CO -0.41 0.16 0.41 0.28 -0.21 0.00 0.00 178.00 178.23 1ktt h VAL 167 N 0.25 1.15 0.06 3.15 2.07 -1.70 0.18 116.25 121.42 1ktt h VAL 167 Ca 0.19 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1ktt h VAL 167 Cb 0.21 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1ktt h VAL 167 CO -0.23 0.15 -0.13 0.00 0.02 0.00 0.00 177.57 177.39 1ktt h LYS 169 N -0.25 0.61 0.00 0.00 1.57 -0.95 -2.31 116.57 115.25 1ktt h LYS 169 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ktt h LYS 169 Cb 0.27 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1ktt h LYS 169 CO -0.08 0.41 0.00 -0.25 -0.57 0.00 0.00 179.45 178.95 1ktt n ASP 170 N -4.76 0.00 -0.16 0.86 8.00 0.03 -2.57 116.55 117.94 1ktt n ASP 170 Ca 0.02 -0.09 0.11 0.00 0.71 0.00 0.00 54.79 55.53 1ktt n ASP 170 Cb 0.02 -0.18 0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1ktt n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1ktt n SER 171 N -1.18 1.20 -4.09 -2.24 3.41 -0.87 -5.00 113.62 104.85 1ktt n SER 171 Ca 0.08 -1.00 -0.10 0.00 -0.26 0.00 0.00 58.87 57.58 1ktt n SER 171 Cb 0.08 0.64 -0.09 0.00 -0.26 0.00 0.00 64.21 64.58 1ktt n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ktt s THR 172 N -2.80 0.06 -1.01 6.66 -1.32 -1.06 -4.86 115.64 111.30 1ktt s THR 172 Ca 0.13 -1.74 0.22 0.00 -1.21 0.00 0.00 61.69 59.09 1ktt s THR 172 Cb 0.17 -2.10 -0.17 0.00 -1.51 0.00 0.00 72.50 68.89 1ktt s THR 172 CO 0.72 -0.28 1.02 0.54 -2.21 0.00 0.00 174.62 174.41 1ktt n ARG 173 N -0.19 0.02 -2.31 7.08 1.74 -1.26 -4.94 116.66 116.80 1ktt n ARG 173 Ca -0.04 -0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.63 1ktt n ARG 173 Cb 0.64 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.55 1ktt n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ktt s ILE 174 N -2.99 3.15 -0.37 0.55 -1.09 -1.26 -4.97 121.20 114.22 1ktt s ILE 174 Ca 0.09 1.09 -0.29 0.00 -2.23 0.00 0.00 60.65 59.31 1ktt s ILE 174 Cb 0.16 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1ktt s ILE 174 CO 0.83 0.21 1.46 -0.60 -1.23 0.00 0.00 174.94 175.61 1ktt s ARG 175 N -1.83 3.61 0.19 2.79 3.52 -1.26 -5.01 118.95 120.96 1ktt s ARG 175 Ca 0.50 1.10 -0.22 0.00 -0.13 0.00 0.00 55.73 56.98 1ktt s ARG 175 Cb -0.34 -4.03 -0.08 0.00 -1.56 0.00 0.00 34.95 28.94 1ktt s ARG 175 CO 0.44 -1.52 0.74 0.42 -0.81 0.00 0.00 175.30 174.57 1ktt s ILE 176 N 5.46 4.49 0.38 4.11 -1.09 -1.26 -4.85 121.20 128.43 1ktt s ILE 176 Ca 0.64 1.47 0.07 0.00 -2.23 0.00 0.00 60.65 60.60 1ktt s ILE 176 Cb -0.16 -3.98 -0.07 0.00 -1.58 0.00 0.00 42.46 36.67 1ktt s ILE 176 CO 0.31 0.36 -0.01 0.42 -1.23 0.00 0.00 174.94 174.79 1ktt s THR 177 N -1.34 1.95 0.30 2.92 -4.23 -1.26 -5.01 115.64 108.96 1ktt s THR 177 Ca 0.39 -2.06 0.37 0.00 -1.18 0.00 0.00 61.69 59.21 1ktt s THR 177 Cb -0.20 -2.86 0.39 0.00 1.34 0.00 0.00 72.50 71.17 1ktt s THR 177 CO 0.23 -0.07 2.12 0.44 -0.54 0.00 0.00 174.62 176.80 1ktt h ASP 178 N 1.90 0.00 -0.09 3.99 5.19 -2.02 -0.69 116.42 124.69 1ktt h ASP 178 Ca -0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1ktt h ASP 178 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1ktt h ASP 178 CO 0.76 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 177.47 1ktt n ASN 179 N -2.92 0.96 -4.06 6.45 3.02 -1.26 -4.79 115.26 112.67 1ktt n ASN 179 Ca -0.01 -2.05 -0.10 0.00 -0.03 0.00 0.00 54.58 52.38 1ktt n ASN 179 Cb 0.15 -0.25 -0.11 0.00 -0.61 0.00 0.00 39.78 38.96 1ktt n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ktt s MET 180 N -1.61 0.52 0.06 3.52 -1.94 -0.27 -0.80 119.30 118.78 1ktt s MET 180 Ca 0.07 -0.88 -0.09 0.00 -1.71 0.00 0.00 55.69 53.08 1ktt s MET 180 Cb 0.04 -0.06 0.00 0.00 2.01 0.00 0.00 34.83 36.82 1ktt s MET 180 CO 0.03 -0.02 0.19 -0.59 -0.01 0.00 0.00 175.02 174.62 1ktt s PHE 181 N -2.18 0.10 0.17 -0.03 -0.12 -0.77 -4.79 117.98 110.36 1ktt s PHE 181 Ca -0.06 -0.41 0.10 0.00 -0.05 0.00 0.00 56.93 56.51 1ktt s PHE 181 Cb -0.05 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1ktt s PHE 181 CO -0.03 -0.47 -0.22 0.00 -0.05 0.00 0.00 175.22 174.45 1ktt s ALA 183 N -1.69 0.18 0.00 0.00 0.00 -0.53 -1.66 121.76 118.05 1ktt s ALA 183 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1ktt s ALA 183 Cb -0.08 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.22 1ktt s ALA 183 CO 0.08 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1ktt n GLY 184 N 1.26 3.20 3.79 0.00 0.00 0.81 -2.38 105.19 111.89 1ktt n GLY 184 Ca -0.22 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 1ktt n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ktt s TYR 184 N -2.00 3.83 0.79 1.61 2.02 -1.26 -4.48 117.35 117.86 1ktt s TYR 184 Ca 0.00 1.42 -0.11 0.00 -0.37 0.00 0.00 57.07 58.02 1ktt s TYR 184 Cb 0.00 -2.64 0.07 0.00 -0.40 0.00 0.00 41.96 38.99 1ktt s TYR 184 CO 0.00 0.51 1.09 0.15 -1.57 0.00 0.00 175.55 175.73 1ktt s LYS 185 N -0.94 2.08 0.36 -0.62 1.02 -1.26 -4.81 119.74 115.56 1ktt s LYS 185 Ca 0.33 1.07 0.08 0.00 0.02 0.00 0.00 55.97 57.46 1ktt s LYS 185 Cb -0.21 -1.88 0.79 0.00 -0.52 0.00 0.00 37.83 36.01 1ktt s LYS 185 CO 0.22 -1.74 1.89 -1.35 -0.92 0.00 0.00 175.35 173.46 1ktt h PRO 186 N -1.19 0.70 0.00 -1.68 0.11 -1.95 -2.59 132.00 125.39 1ktt h PRO 186 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ktt h PRO 186 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ktt h PRO 186 CO 0.53 0.46 -0.45 0.38 -0.21 0.00 0.00 178.00 178.70 1ktt h ASP 186 N 0.72 0.00 0.10 -2.05 2.03 -1.95 -3.33 116.42 111.93 1ktt h ASP 186 Ca 0.41 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.64 1ktt h ASP 186 Cb 0.59 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1ktt h ASP 186 CO -0.18 0.03 0.00 -0.62 -1.03 0.00 0.00 179.24 177.45 1ktt n GLU 186 N -2.51 0.09 0.00 4.15 1.02 -0.97 -4.87 120.64 117.55 1ktt n GLU 186 Ca 0.03 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 1ktt n GLU 186 Cb 0.49 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1ktt n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ktt n GLY 186 N -1.16 1.87 3.79 0.62 0.00 -1.25 -4.96 105.19 104.09 1ktt n GLY 186 Ca -0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1ktt n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ktt s LYS 186 N 0.00 2.03 0.00 1.61 1.02 -1.26 -5.07 119.74 118.07 1ktt s LYS 186 Ca 0.00 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.72 1ktt s LYS 186 Cb 0.00 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1ktt s LYS 186 CO 0.00 -1.68 0.00 2.89 -0.92 0.00 0.00 175.35 175.64 1ktt n ARG 187 N -3.49 0.00 0.00 1.68 1.85 -1.26 -4.72 116.66 110.72 1ktt n ARG 187 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1ktt n ARG 187 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 1ktt n ARG 187 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ktt n GLY 188 N 0.00 4.08 3.63 2.89 0.00 -1.26 -4.92 105.19 109.60 1ktt n GLY 188 Ca 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 46.02 44.51 1ktt n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ktt s ASP 189 N 0.00 -0.12 0.95 1.61 2.15 -0.69 -4.63 116.67 115.93 1ktt s ASP 189 Ca 0.00 -0.14 -0.15 0.00 0.43 0.00 0.00 52.55 52.68 1ktt s ASP 189 Cb 0.00 0.24 0.18 0.00 -0.30 0.00 0.00 42.92 43.04 1ktt s ASP 189 CO 0.00 -0.43 1.26 0.00 -0.17 0.00 0.00 175.17 175.83 1ktt s ALA 190 N -2.65 2.13 0.28 3.66 0.00 -1.26 0.01 121.76 123.92 1ktt s ALA 190 Ca 0.12 -1.00 -0.20 0.00 0.00 0.00 0.00 51.96 50.87 1ktt s ALA 190 Cb 0.02 -2.85 0.05 0.00 0.00 0.00 0.00 23.12 20.35 1ktt s ALA 190 CO -0.03 -2.37 0.87 0.00 0.00 0.00 0.00 175.76 174.22 1ktt n GLU 192 N -0.55 0.70 0.00 0.00 2.13 -1.26 -0.49 120.64 121.17 1ktt n GLU 192 Ca -0.06 0.25 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1ktt n GLU 192 Cb 0.60 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.46 1ktt n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ktt n GLY 193 N 2.79 3.01 0.10 8.31 0.00 -1.26 -0.25 105.19 117.90 1ktt n GLY 193 Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 1ktt n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ktt n ASP 194 N 0.00 0.85 -4.46 1.61 8.00 0.35 -3.81 116.55 119.09 1ktt n ASP 194 Ca 0.00 0.35 -0.49 0.00 0.71 0.00 0.00 54.79 55.36 1ktt n ASP 194 Cb 0.00 0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 1ktt n ASP 194 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ktt n SER 195 N -2.77 -0.38 0.00 -2.24 2.88 -1.25 -0.57 113.62 109.29 1ktt n SER 195 Ca -0.04 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1ktt n SER 195 Cb 0.68 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 63.11 1ktt n SER 195 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ktt n GLY 196 N 1.81 2.28 3.74 0.46 0.00 -0.47 0.34 105.19 113.35 1ktt n GLY 196 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ktt n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ktt s GLY 197 N -1.92 1.58 0.08 -0.02 0.00 0.26 -2.93 107.32 104.36 1ktt s GLY 197 Ca 0.00 -0.56 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 1ktt s GLY 197 CO 0.00 0.06 0.49 2.56 0.00 0.00 0.00 173.10 176.22 1ktt s PRO 198 N -5.23 3.99 -0.31 2.90 0.04 -1.26 -1.26 135.00 133.88 1ktt s PRO 198 Ca 0.65 0.50 -0.04 0.00 0.04 0.00 0.00 61.00 62.16 1ktt s PRO 198 Cb -0.15 -3.11 0.04 0.00 0.04 0.00 0.00 34.50 31.32 1ktt s PRO 198 CO 0.55 0.60 0.03 0.12 0.04 0.00 0.00 177.00 178.34 1ktt s PHE 199 N -1.25 3.23 0.23 0.56 2.19 -0.21 -3.63 117.98 119.10 1ktt s PHE 199 Ca 0.31 -1.63 0.10 0.00 0.33 0.00 0.00 56.93 56.03 1ktt s PHE 199 Cb -0.17 -2.16 -0.04 0.00 -1.31 0.00 0.00 43.02 39.34 1ktt s PHE 199 CO 0.17 -0.76 -0.10 0.14 1.83 0.00 0.00 175.22 176.50 1ktt s VAL 200 N 1.32 3.05 0.02 3.12 -7.23 0.16 -0.72 120.40 120.12 1ktt s VAL 200 Ca -0.03 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1ktt s VAL 200 Cb -0.19 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.17 1ktt s VAL 200 CO 0.00 -0.25 -0.05 -0.04 -0.31 0.00 0.00 175.10 174.45 1ktt s MET 201 N -3.21 0.37 -0.33 4.82 -1.94 0.71 0.34 119.30 120.05 1ktt s MET 201 Ca 0.28 -0.48 -0.12 0.00 -1.71 0.00 0.00 55.69 53.65 1ktt s MET 201 Cb -0.07 -0.18 -0.02 0.00 2.01 0.00 0.00 34.83 36.57 1ktt s MET 201 CO 0.16 0.03 0.23 0.21 -0.01 0.00 0.00 175.02 175.64 1ktt s LYS 202 N -0.98 3.49 0.17 2.03 2.20 -1.26 0.04 119.74 125.43 1ktt s LYS 202 Ca -0.07 -0.65 -0.32 0.00 -0.36 0.00 0.00 55.97 54.58 1ktt s LYS 202 Cb -0.07 -3.77 -0.10 0.00 -1.51 0.00 0.00 37.83 32.38 1ktt s LYS 202 CO -0.00 -0.43 1.62 0.45 -0.36 0.00 0.00 175.35 176.62 1ktt s SER 203 N 1.71 6.53 0.00 1.43 0.15 0.37 -4.86 113.70 119.03 1ktt s SER 203 Ca 0.06 2.68 0.30 0.00 0.70 0.00 0.00 55.95 59.69 1ktt s SER 203 Cb -0.17 -2.59 1.46 0.00 -1.71 0.00 0.00 66.02 63.00 1ktt s SER 203 CO 0.10 -0.87 1.99 -0.81 1.20 0.00 0.00 173.24 174.85 1ktt n PRO 204 N 4.07 0.81 0.02 5.44 -0.04 -1.26 -1.20 135.00 142.84 1ktt n PRO 204 Ca 0.15 -0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.20 1ktt n PRO 204 Cb 0.38 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 1ktt n PRO 204 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1ktt h PHE 204 N 0.46 0.52 0.00 0.54 0.04 -1.96 -3.41 116.94 113.13 1ktt h PHE 204 Ca 0.00 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.39 1ktt h PHE 204 Cb 0.26 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1ktt h PHE 204 CO 0.00 1.66 -0.04 0.27 -0.60 0.00 0.00 178.31 179.60 1ktt n ASN 204 N -3.71 1.07 -3.16 2.17 2.04 -1.25 -5.02 115.26 107.39 1ktt n ASN 204 Ca -0.27 -1.70 -0.22 0.00 -0.44 0.00 0.00 54.58 51.95 1ktt n ASN 204 Cb 0.99 -0.06 0.01 0.00 -2.53 0.00 0.00 39.78 38.19 1ktt n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ktt n ASN 205 N -0.34 -4.39 -4.63 0.53 3.02 -0.34 -4.98 115.26 104.12 1ktt n ASN 205 Ca 0.01 -0.29 -0.28 0.00 -0.03 0.00 0.00 54.58 53.99 1ktt n ASN 205 Cb 0.42 -3.61 -0.09 0.00 -0.61 0.00 0.00 39.78 35.90 1ktt n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1ktt s ARG 206 N -5.82 2.32 0.00 3.52 0.52 -1.24 -4.85 118.95 113.40 1ktt s ARG 206 Ca 0.33 -1.03 -0.22 0.00 -0.52 0.00 0.00 55.73 54.29 1ktt s ARG 206 Cb -0.17 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 1ktt s ARG 206 CO 0.40 0.49 0.64 -1.58 0.02 0.00 0.00 175.30 175.27 1ktt s TRP 207 N -1.46 3.69 -0.04 -0.53 0.52 -1.26 -0.48 118.94 119.38 1ktt s TRP 207 Ca 0.25 1.26 0.04 0.00 0.02 0.00 0.00 56.10 57.67 1ktt s TRP 207 Cb -0.10 -2.67 -0.00 0.00 -1.15 0.00 0.00 33.47 29.54 1ktt s TRP 207 CO 0.17 0.32 -0.17 0.71 0.02 0.00 0.00 176.95 177.99 1ktt s TYR 208 N -0.10 1.69 -0.45 -1.98 2.02 0.11 -2.63 117.35 116.01 1ktt s TYR 208 Ca 0.33 -0.46 -0.22 0.00 -0.37 0.00 0.00 57.07 56.35 1ktt s TYR 208 Cb -0.19 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1ktt s TYR 208 CO 0.18 -0.15 0.72 -1.14 -1.57 0.00 0.00 175.55 173.60 1ktt s GLN 209 N -0.02 3.33 0.06 -0.62 0.74 -0.61 -0.21 119.66 122.33 1ktt s GLN 209 Ca -0.02 -0.26 0.18 0.00 0.05 0.00 0.00 55.36 55.30 1ktt s GLN 209 Cb -0.11 -3.96 -0.13 0.00 1.10 0.00 0.00 33.01 29.91 1ktt s GLN 209 CO 0.02 -1.10 0.80 -1.33 -0.55 0.00 0.00 175.29 173.14 1ktt n MET 210 N 6.53 0.62 -4.10 1.67 2.81 0.10 -4.36 117.12 120.40 1ktt n MET 210 Ca 0.00 0.19 -0.11 0.00 -1.81 0.00 0.00 57.70 55.97 1ktt n MET 210 Cb 0.48 -1.79 -0.07 0.00 -0.71 0.00 0.00 33.22 31.13 1ktt n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1ktt s GLY 211 N -4.76 1.05 -0.05 3.03 0.00 -0.95 -1.71 107.32 103.93 1ktt s GLY 211 Ca -0.03 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.41 1ktt s GLY 211 CO 0.81 -1.00 -0.15 -0.42 0.00 0.00 0.00 173.10 172.34 1ktt s ILE 212 N -3.97 1.30 -0.10 0.90 1.01 -1.00 -1.04 121.20 118.30 1ktt s ILE 212 Ca 0.31 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1ktt s ILE 212 Cb 0.03 -1.14 -0.07 0.00 0.01 0.00 0.00 42.46 41.28 1ktt s ILE 212 CO 0.12 0.38 2.11 0.52 0.00 0.00 0.00 174.94 178.07 1ktt n VAL 213 N 3.42 0.54 -0.04 2.92 0.31 -0.39 -0.42 118.33 124.68 1ktt n VAL 213 Ca -0.20 -0.31 -0.06 0.00 -0.01 0.00 0.00 64.34 63.76 1ktt n VAL 213 Cb 0.53 -2.45 -0.02 0.00 -0.91 0.00 0.00 33.84 30.99 1ktt n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ktt n SER 214 N 9.78 1.55 -3.64 4.52 2.88 -0.67 -1.36 113.62 126.67 1ktt n SER 214 Ca 0.25 0.25 -0.10 0.00 -1.33 0.00 0.00 58.87 57.94 1ktt n SER 214 Cb 0.43 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 63.28 1ktt n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1ktt s TRP 215 N -2.49 -0.32 -0.13 0.66 1.48 -1.07 -4.90 118.94 112.17 1ktt s TRP 215 Ca -0.18 -0.01 -0.30 0.00 -1.06 0.00 0.00 56.10 54.55 1ktt s TRP 215 Cb 0.02 0.56 0.12 0.00 -1.16 0.00 0.00 33.47 33.01 1ktt s TRP 215 CO 0.27 -0.99 0.95 0.20 -4.06 0.00 0.00 176.95 173.31 1ktt s GLY 216 N -2.84 -0.33 -0.59 3.67 0.00 -1.26 -0.54 107.32 105.43 1ktt s GLY 216 Ca 0.06 1.82 -0.20 0.00 0.00 0.00 0.00 44.72 46.40 1ktt s GLY 216 CO -0.04 0.93 0.75 -0.54 0.00 0.00 0.00 173.10 174.20 1ktt s GLU 217 N -1.37 3.07 2.61 2.90 2.02 -1.26 -4.90 118.70 121.78 1ktt s GLU 217 Ca -0.02 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.82 1ktt s GLU 217 Cb -0.00 -4.23 0.00 0.00 0.10 0.00 0.00 34.13 29.99 1ktt s GLU 217 CO 0.01 -1.55 0.00 0.41 0.02 0.00 0.00 175.26 174.15 1ktt n GLY 219 N 5.27 -0.67 2.90 -1.39 0.00 -1.26 -4.74 105.19 105.30 1ktt n GLY 219 Ca -0.08 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 1ktt n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ktt n ASP 221 N 4.53 -4.45 -4.82 0.00 2.03 -1.26 -4.61 116.55 107.97 1ktt n ASP 221 Ca -0.20 -0.81 -0.37 0.00 0.52 0.00 0.00 54.79 53.93 1ktt n ASP 221 Cb 0.51 -3.75 -0.06 0.00 -0.72 0.00 0.00 41.12 37.10 1ktt n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1ktt s ARG 221 N -6.63 4.20 0.22 -0.67 0.52 -1.26 -4.93 118.95 110.39 1ktt s ARG 221 Ca 0.64 0.76 -0.32 0.00 -0.52 0.00 0.00 55.73 56.29 1ktt s ARG 221 Cb -0.32 -3.02 -0.12 0.00 0.52 0.00 0.00 34.95 32.01 1ktt s ARG 221 CO 0.84 0.49 1.65 -0.25 0.02 0.00 0.00 175.30 178.06 1ktt n ASP 222 N 1.06 3.73 0.00 0.23 9.92 -1.26 -1.36 116.55 128.87 1ktt n ASP 222 Ca -0.05 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 1ktt n ASP 222 Cb 0.51 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1ktt n ASP 222 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ktt n GLY 223 N 3.36 2.25 3.82 0.44 0.00 -1.26 -5.02 105.19 108.78 1ktt n GLY 223 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 1ktt n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ktt s LYS 224 N -0.25 2.96 0.05 1.61 -0.14 -0.47 -4.79 119.74 118.72 1ktt s LYS 224 Ca 0.00 -0.90 0.02 0.00 -1.36 0.00 0.00 55.97 53.72 1ktt s LYS 224 Cb 0.00 -2.65 -0.03 0.00 -1.68 0.00 0.00 37.83 33.47 1ktt s LYS 224 CO 0.00 0.46 -0.06 0.71 -0.76 0.00 0.00 175.35 175.70 1ktt s TYR 225 N -1.87 0.66 0.32 3.18 1.51 -1.26 -4.68 117.35 115.21 1ktt s TYR 225 Ca 0.32 -0.66 -0.24 0.00 -1.01 0.00 0.00 57.07 55.47 1ktt s TYR 225 Cb -0.09 -0.40 -0.10 0.00 -0.11 0.00 0.00 41.96 41.26 1ktt s TYR 225 CO 0.24 -0.14 0.90 0.20 -1.11 0.00 0.00 175.55 175.64 1ktt s GLY 226 N -2.06 2.71 0.02 0.71 0.00 -1.00 -4.61 107.32 103.09 1ktt s GLY 226 Ca -0.04 0.44 0.04 0.00 0.00 0.00 0.00 44.72 45.16 1ktt s GLY 226 CO -0.02 0.84 -0.09 -1.36 0.00 0.00 0.00 173.10 172.47 1ktt s PHE 227 N -1.67 2.81 0.05 1.90 0.40 0.30 -1.45 117.98 120.33 1ktt s PHE 227 Ca 0.50 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.78 1ktt s PHE 227 Cb -0.17 -1.57 -0.02 0.00 0.51 0.00 0.00 43.02 41.77 1ktt s PHE 227 CO 0.22 0.35 -0.12 0.71 0.70 0.00 0.00 175.22 177.08 1ktt s TYR 228 N -1.01 1.04 0.15 0.36 1.51 0.73 -1.67 117.35 118.47 1ktt s TYR 228 Ca 0.17 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.51 1ktt s TYR 228 Cb -0.11 -0.61 -0.08 0.00 -0.11 0.00 0.00 41.96 41.05 1ktt s TYR 228 CO 0.08 0.01 1.32 0.99 -1.11 0.00 0.00 175.55 176.84 1ktt s THR 229 N -1.12 3.35 -0.86 -0.71 2.01 0.43 -1.84 115.64 116.91 1ktt s THR 229 Ca -0.03 1.05 -0.25 0.00 0.31 0.00 0.00 61.69 62.77 1ktt s THR 229 Cb -0.09 -3.67 0.03 0.00 0.01 0.00 0.00 72.50 68.78 1ktt s THR 229 CO 0.01 0.12 1.41 -2.28 -0.69 0.00 0.00 174.62 173.20 1ktt s HIS 230 N 0.54 2.33 0.16 4.92 2.46 0.02 -2.37 115.29 123.35 1ktt s HIS 230 Ca 0.59 -0.30 -0.20 0.00 0.47 0.00 0.00 55.06 55.62 1ktt s HIS 230 Cb -0.36 -4.61 0.06 0.00 -0.13 0.00 0.00 32.58 27.55 1ktt s HIS 230 CO 0.34 -2.02 1.65 0.28 -2.47 0.00 0.00 174.74 172.53 1ktt h VAL 231 N 6.45 0.51 -0.86 0.89 2.07 -1.64 -2.67 116.25 120.99 1ktt h VAL 231 Ca -0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1ktt h VAL 231 Cb 1.04 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1ktt h VAL 231 CO 1.34 0.00 0.55 0.15 0.02 0.00 0.00 177.57 179.63 1ktt h PHE 232 N -0.12 1.04 0.00 1.57 3.57 -1.87 -1.05 116.94 120.07 1ktt h PHE 232 Ca 0.16 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1ktt h PHE 232 Cb 0.36 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ktt h PHE 232 CO -0.36 0.59 0.00 0.54 -2.23 0.00 0.00 178.31 176.84 1ktt n ARG 233 N -4.55 0.11 -0.03 1.11 1.74 -1.01 -1.64 116.66 112.38 1ktt n ARG 233 Ca 0.11 0.50 0.03 0.00 -0.77 0.00 0.00 57.85 57.72 1ktt n ARG 233 Cb 0.10 -1.80 0.04 0.00 -1.02 0.00 0.00 32.46 29.79 1ktt n ARG 233 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ktt n LEU 234 N -2.02 1.85 0.17 0.55 4.77 -0.58 -4.66 117.00 117.07 1ktt n LEU 234 Ca 0.00 -1.42 0.15 0.00 -0.03 0.00 0.00 56.01 54.72 1ktt n LEU 234 Cb 0.10 -0.05 0.73 0.00 -2.33 0.00 0.00 43.42 41.88 1ktt n LEU 234 CO 0.11 0.43 1.13 0.50 -1.33 0.00 0.00 177.39 178.24 1ktt h LYS 235 N 0.99 0.00 -0.09 3.23 3.64 -0.28 -1.23 116.57 122.84 1ktt h LYS 235 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1ktt h LYS 235 Cb 0.38 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1ktt h LYS 235 CO 0.00 0.00 -0.11 0.87 -2.27 0.00 0.00 179.45 177.94 1ktt h LYS 236 N 0.00 -0.13 -0.51 1.90 6.56 -1.83 0.95 116.57 123.51 1ktt h LYS 236 Ca 0.10 0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.73 1ktt h LYS 236 Cb 0.45 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.11 1ktt h LYS 236 CO -0.00 -0.09 0.29 2.35 -2.06 0.00 0.00 179.45 179.94 1ktt h TRP 237 N -0.14 0.55 -0.55 -1.35 7.01 -1.59 -1.62 115.95 118.25 1ktt h TRP 237 Ca 0.07 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.17 1ktt h TRP 237 Cb 0.24 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.06 1ktt h TRP 237 CO -0.21 0.30 0.20 0.82 -2.79 0.00 0.00 178.44 176.76 1ktt h ILE 238 N 0.58 0.80 0.29 2.65 2.04 -1.04 -1.58 117.51 121.24 1ktt h ILE 238 Ca 0.21 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 1ktt h ILE 238 Cb 0.05 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1ktt h ILE 238 CO -0.11 0.07 -0.22 1.56 0.00 0.00 0.00 178.15 179.45 1ktt h GLN 239 N 0.37 -0.50 -0.14 2.37 1.08 -0.22 -2.11 115.11 115.97 1ktt h GLN 239 Ca 0.27 0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.55 1ktt h GLN 239 Cb 0.31 0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.80 1ktt h GLN 239 CO -0.28 -0.33 -0.26 -0.22 -0.95 0.00 0.00 178.83 176.79 1ktt h LYS 240 N -0.52 -0.31 -0.17 1.46 3.64 -0.88 0.84 116.57 120.63 1ktt h LYS 240 Ca -0.02 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1ktt h LYS 240 Cb 0.45 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 1ktt h LYS 240 CO -0.01 -0.21 -0.35 0.28 -2.27 0.00 0.00 179.45 176.89 1ktt h VAL 241 N -0.32 0.23 -0.46 2.00 2.07 -1.18 0.87 116.25 119.46 1ktt h VAL 241 Ca 0.10 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 1ktt h VAL 241 Cb 0.48 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1ktt h VAL 241 CO -0.32 0.00 -0.03 0.40 0.02 0.00 0.00 177.57 177.64 1ktt h ILE 242 N -0.41 1.27 -0.11 4.57 2.04 -0.96 0.38 117.51 124.29 1ktt h ILE 242 Ca 0.10 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1ktt h ILE 242 Cb 0.57 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1ktt h ILE 242 CO -0.40 0.38 0.00 0.47 0.00 0.00 0.00 178.15 178.60 1ktt n ASP 243 N -4.34 1.15 0.01 1.72 8.00 0.29 -1.26 116.55 122.13 1ktt n ASP 243 Ca 0.00 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.43 1ktt n ASP 243 Cb 0.33 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1ktt n ASP 243 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1ktt n GLN 244 N -0.03 0.00 0.00 -1.24 7.27 0.27 -4.84 117.38 118.81 1ktt n GLN 244 Ca 0.04 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.22 1ktt n GLN 244 Cb 0.24 -0.10 0.05 0.00 2.41 0.00 0.00 30.24 32.84 1ktt n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1ktt n PHE 245 N -2.72 0.00 -1.74 3.69 3.01 0.09 -4.96 117.46 114.83 1ktt n PHE 245 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1ktt n PHE 245 Cb 0.00 -0.11 -0.03 0.00 -0.01 0.00 0.00 39.48 39.33 1ktt n PHE 245 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1ktt s GLY 246 N -3.00 1.24 0.00 1.37 0.00 -0.39 -5.00 107.32 101.54 1ktt s GLY 246 Ca 0.09 1.57 0.28 0.00 0.00 0.00 0.00 44.72 46.66 1ktt s GLY 246 CO 0.79 2.88 1.69 -2.21 0.00 0.00 0.00 173.10 176.25