#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkj s VAL 17 N 0.00 4.43 -1.67 1.39 1.01 0.31 -4.02 120.40 121.85 3hkj s VAL 17 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3hkj s VAL 17 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.46 3hkj s VAL 17 CO 0.00 0.54 0.00 -0.62 0.00 0.00 0.00 175.10 175.02 3hkj n GLU 18 N 2.86 -1.25 0.00 2.72 -0.58 -1.26 -0.86 120.64 122.27 3hkj n GLU 18 Ca -0.18 0.99 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 3hkj n GLU 18 Cb 0.53 -5.30 0.00 0.00 -0.57 0.00 0.00 31.44 26.10 3hkj n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hkj n GLY 19 N -0.94 2.04 3.82 0.62 0.00 -1.26 -4.73 105.19 104.73 3hkj n GLY 19 Ca -0.18 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 43.91 3hkj n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hkj s SER 20 N -0.92 -0.20 0.18 1.61 1.04 -0.54 -4.95 113.70 109.93 3hkj s SER 20 Ca 0.00 -0.72 -0.32 0.00 0.48 0.00 0.00 55.95 55.39 3hkj s SER 20 Cb 0.00 0.73 -0.11 0.00 0.10 0.00 0.00 66.02 66.74 3hkj s SER 20 CO 0.00 -1.37 1.63 -1.81 0.98 0.00 0.00 173.24 172.66 3hkj s ASP 21 N -2.95 6.51 0.37 7.02 1.11 -1.26 -0.98 116.67 126.48 3hkj s ASP 21 Ca 0.13 2.72 -0.25 0.00 0.18 0.00 0.00 52.55 55.33 3hkj s ASP 21 Cb -0.05 -2.60 -0.09 0.00 1.07 0.00 0.00 42.92 41.25 3hkj s ASP 21 CO 0.08 -0.88 1.02 0.00 1.18 0.00 0.00 175.17 176.57 3hkj s ALA 22 N 1.14 3.13 0.79 5.23 0.00 -0.42 -4.80 121.76 126.83 3hkj s ALA 22 Ca 0.72 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 53.22 3hkj s ALA 22 Cb -0.46 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.48 3hkj s ALA 22 CO 0.32 -0.09 1.09 -1.21 0.00 0.00 0.00 175.76 175.86 3hkj s GLU 23 N -2.36 2.12 0.09 0.00 2.02 -1.26 -4.91 118.70 114.41 3hkj s GLU 23 Ca 0.55 0.93 -0.31 0.00 0.02 0.00 0.00 54.97 56.16 3hkj s GLU 23 Cb -0.21 -1.90 -0.10 0.00 0.10 0.00 0.00 34.13 32.03 3hkj s GLU 23 CO 0.26 -1.67 1.80 0.42 0.02 0.00 0.00 175.26 176.09 3hkj s ILE 24 N -2.99 2.75 -1.05 -1.63 -1.09 -1.26 -1.99 121.20 113.93 3hkj s ILE 24 Ca 0.61 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 3hkj s ILE 24 Cb -0.16 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 3hkj s ILE 24 CO 0.56 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 3hkj n GLY 25 N 4.21 1.11 0.22 6.18 0.00 -1.26 -4.88 105.19 110.78 3hkj n GLY 25 Ca 0.18 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.92 3hkj n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3hkj h MET 26 N 0.08 0.00 -1.95 1.61 -1.53 -1.76 -3.32 114.93 108.06 3hkj h MET 26 Ca -0.20 0.00 -0.52 0.00 -3.44 0.00 0.00 59.70 55.54 3hkj h MET 26 Cb 0.76 0.00 -0.39 0.00 -0.55 0.00 0.00 31.60 31.42 3hkj h MET 26 CO 0.30 0.23 -1.13 0.45 0.14 0.00 0.00 176.91 176.89 3hkj n SER 27 N -3.37 0.38 0.18 1.39 2.88 -1.26 -4.98 113.62 108.83 3hkj n SER 27 Ca 0.00 -2.84 0.11 0.00 -1.33 0.00 0.00 58.87 54.82 3hkj n SER 27 Cb 0.44 -0.57 0.61 0.00 -0.75 0.00 0.00 64.21 63.95 3hkj n SER 27 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hkj h PRO 28 N 3.57 0.00 -0.01 -1.46 0.13 -1.79 -1.33 132.00 131.12 3hkj h PRO 28 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3hkj h PRO 28 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3hkj h PRO 28 CO 0.47 0.00 -0.38 -2.67 -0.23 0.00 0.00 178.00 175.19 3hkj n TRP 29 N -2.31 0.00 -1.76 1.56 2.14 -1.11 -2.21 117.44 113.76 3hkj n TRP 29 Ca -0.01 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 3hkj n TRP 29 Cb 0.08 -0.10 -0.03 0.00 -0.81 0.00 0.00 31.31 30.46 3hkj n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3hkj s GLN 30 N -2.58 4.13 0.07 -2.67 2.00 -0.51 -0.78 119.66 119.32 3hkj s GLN 30 Ca 0.20 2.58 0.08 0.00 -2.00 0.00 0.00 55.36 56.22 3hkj s GLN 30 Cb 0.19 -3.07 -0.03 0.00 0.80 0.00 0.00 33.01 30.89 3hkj s GLN 30 CO 0.57 -0.72 -0.21 0.08 -0.50 0.00 0.00 175.29 174.51 3hkj s VAL 31 N 1.00 1.75 -0.28 1.34 1.01 -0.20 -3.92 120.40 121.09 3hkj s VAL 31 Ca 0.73 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 3hkj s VAL 31 Cb -0.49 -1.54 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3hkj s VAL 31 CO 0.34 0.12 0.03 -0.32 0.00 0.00 0.00 175.10 175.28 3hkj s MET 32 N -1.46 3.03 -0.45 2.72 1.75 -0.29 -1.78 119.30 122.82 3hkj s MET 32 Ca 0.08 -0.88 -0.29 0.00 -1.25 0.00 0.00 55.69 53.35 3hkj s MET 32 Cb -0.09 -3.23 0.03 0.00 2.84 0.00 0.00 34.83 34.37 3hkj s MET 32 CO 0.03 -0.41 1.15 -0.51 -0.65 0.00 0.00 175.02 174.62 3hkj s LEU 33 N 1.44 3.67 -0.22 4.11 1.43 -0.22 -1.28 118.68 127.61 3hkj s LEU 33 Ca 0.02 0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3hkj s LEU 33 Cb -0.17 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3hkj s LEU 33 CO 0.00 -1.21 0.02 0.12 0.23 0.00 0.00 176.35 175.51 3hkj s PHE 34 N 4.41 3.06 -0.15 0.29 2.19 0.01 0.50 117.98 128.28 3hkj s PHE 34 Ca 0.48 -0.46 -0.29 0.00 0.33 0.00 0.00 56.93 56.99 3hkj s PHE 34 Cb -0.08 -2.14 -0.01 0.00 -1.31 0.00 0.00 43.02 39.47 3hkj s PHE 34 CO 0.30 -0.29 1.19 0.50 1.83 0.00 0.00 175.22 178.74 3hkj s ARG 35 N 1.24 4.28 0.20 10.12 3.52 0.63 -1.67 118.95 137.27 3hkj s ARG 35 Ca 0.04 1.59 -0.11 0.00 -0.13 0.00 0.00 55.73 57.12 3hkj s ARG 35 Cb -0.15 -3.68 0.16 0.00 -1.56 0.00 0.00 34.95 29.72 3hkj s ARG 35 CO 0.02 -0.61 1.86 -0.22 -0.81 0.00 0.00 175.30 175.54 3hkj h LYS 36 N 7.83 0.89 -1.68 5.12 3.64 -1.51 -2.74 116.57 128.12 3hkj h LYS 36 Ca -0.27 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.16 3hkj h LYS 36 Cb 1.11 -0.20 -0.22 0.00 -0.41 0.00 0.00 32.23 32.51 3hkj h LYS 36 CO 0.94 0.59 0.02 0.45 -2.27 0.00 0.00 179.45 179.18 3hkj s SER 36 N -5.80 -0.92 0.43 4.20 0.15 -1.26 -3.53 113.70 106.98 3hkj s SER 36 Ca -0.13 1.29 -0.25 0.00 0.70 0.00 0.00 55.95 57.56 3hkj s SER 36 Cb 0.15 1.96 -0.08 0.00 -1.71 0.00 0.00 66.02 66.33 3hkj s SER 36 CO 0.77 -0.18 1.35 -2.16 1.20 0.00 0.00 173.24 174.21 3hkj s PRO 37 N 2.55 3.81 -0.21 5.44 0.04 -1.26 -5.07 135.00 140.29 3hkj s PRO 37 Ca -0.06 2.24 -0.29 0.00 0.04 0.00 0.00 61.00 62.94 3hkj s PRO 37 Cb -0.09 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 3hkj s PRO 37 CO -0.18 -0.65 2.00 -0.65 0.04 0.00 0.00 177.00 177.55 3hkj s GLN 38 N -2.37 3.41 0.09 4.56 -0.21 -1.23 -4.70 119.66 119.22 3hkj s GLN 38 Ca 0.59 1.91 -0.26 0.00 0.02 0.00 0.00 55.36 57.62 3hkj s GLN 38 Cb -0.40 -4.25 0.08 0.00 1.00 0.00 0.00 33.01 29.44 3hkj s GLN 38 CO 0.51 -1.77 0.89 -1.83 -2.12 0.00 0.00 175.29 170.96 3hkj s GLU 39 N 5.68 1.07 0.02 2.91 -1.05 -1.03 -4.99 118.70 121.30 3hkj s GLU 39 Ca 0.90 -0.50 -0.30 0.00 -0.15 0.00 0.00 54.97 54.91 3hkj s GLU 39 Cb -0.31 0.42 -0.06 0.00 -0.44 0.00 0.00 34.13 33.74 3hkj s GLU 39 CO 0.35 -0.48 1.44 -1.17 0.95 0.00 0.00 175.26 176.35 3hkj s LEU 40 N -2.72 4.33 -0.16 1.83 2.96 -1.26 -0.27 118.68 123.39 3hkj s LEU 40 Ca 0.08 2.18 -0.12 0.00 -0.22 0.00 0.00 54.13 56.05 3hkj s LEU 40 Cb -0.01 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.06 3hkj s LEU 40 CO -0.04 -0.74 -0.17 -0.11 -1.32 0.00 0.00 176.35 173.97 3hkj n LEU 41 N 5.35 1.84 0.00 -0.68 -0.00 0.18 -4.84 117.00 118.85 3hkj n LEU 41 Ca 0.13 0.55 -0.03 0.00 -0.00 0.00 0.00 56.01 56.67 3hkj n LEU 41 Cb 0.43 -0.86 0.01 0.00 -0.00 0.00 0.00 43.42 43.00 3hkj n LEU 41 CO 0.59 -0.33 0.20 0.00 -0.00 0.00 0.00 177.39 177.85 3hkj s GLY 43 N -1.79 1.95 0.07 0.00 0.00 -0.54 -1.06 107.32 105.94 3hkj s GLY 43 Ca 0.06 -1.85 -0.25 0.00 0.00 0.00 0.00 44.72 42.68 3hkj s GLY 43 CO 0.04 -1.68 1.15 0.00 0.00 0.00 0.00 173.10 172.61 3hkj n ALA 44 N -1.96 -3.15 -3.08 3.20 0.00 -0.73 -3.51 120.51 111.27 3hkj n ALA 44 Ca 0.09 -0.88 -0.11 0.00 0.00 0.00 0.00 53.44 52.54 3hkj n ALA 44 Cb 0.61 0.33 -0.10 0.00 0.00 0.00 0.00 19.45 20.29 3hkj n ALA 44 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hkj s SER 45 N -3.62 0.02 -0.28 0.00 1.04 -0.13 -1.03 113.70 109.70 3hkj s SER 45 Ca 0.26 -0.15 -0.20 0.00 0.48 0.00 0.00 55.95 56.34 3hkj s SER 45 Cb -0.02 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 3hkj s SER 45 CO 0.02 -0.30 0.61 -0.22 0.98 0.00 0.00 173.24 174.33 3hkj s LEU 46 N -1.13 4.11 0.00 2.42 2.96 0.04 -0.62 118.68 126.45 3hkj s LEU 46 Ca -0.12 0.53 0.12 0.00 -0.22 0.00 0.00 54.13 54.43 3hkj s LEU 46 Cb -0.07 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.79 3hkj s LEU 46 CO 0.01 -0.42 0.65 2.30 -1.32 0.00 0.00 176.35 177.57 3hkj n ILE 47 N 5.30 0.00 -3.61 6.68 -5.35 -0.62 -0.98 119.36 120.78 3hkj n ILE 47 Ca -0.01 -0.35 -0.04 0.00 -0.27 0.00 0.00 62.75 62.08 3hkj n ILE 47 Cb 0.49 1.11 -0.02 0.00 -1.74 0.00 0.00 39.64 39.48 3hkj n ILE 47 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3hkj s SER 48 N -1.61 -0.11 0.00 7.28 1.04 -1.21 -4.68 113.70 114.42 3hkj s SER 48 Ca 0.09 -0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.51 3hkj s SER 48 Cb 0.09 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.33 3hkj s SER 48 CO 0.32 -0.19 0.66 -0.90 0.98 0.00 0.00 173.24 174.12 3hkj n ASP 49 N -0.09 0.00 0.00 7.02 5.68 -1.26 -2.07 116.55 125.83 3hkj n ASP 49 Ca 0.01 0.22 0.00 0.00 -0.50 0.00 0.00 54.79 54.52 3hkj n ASP 49 Cb 0.58 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 3hkj n ASP 49 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 3hkj n ARG 50 N -1.16 1.25 -4.77 0.11 0.63 -1.26 -0.48 116.66 110.98 3hkj n ARG 50 Ca 0.00 -0.06 -0.29 0.00 -0.92 0.00 0.00 57.85 56.58 3hkj n ARG 50 Cb 0.07 -0.36 -0.17 0.00 0.45 0.00 0.00 32.46 32.46 3hkj n ARG 50 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3hkj s TRP 51 N -0.20 2.08 -0.09 -0.14 0.52 -0.88 -0.69 118.94 119.54 3hkj s TRP 51 Ca 0.00 -0.89 0.03 0.00 0.02 0.00 0.00 56.10 55.26 3hkj s TRP 51 Cb 0.00 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.86 3hkj s TRP 51 CO 0.00 -0.41 -0.19 0.08 0.02 0.00 0.00 176.95 176.45 3hkj s VAL 52 N 0.66 2.55 -0.12 4.03 1.01 -0.22 -1.58 120.40 126.74 3hkj s VAL 52 Ca -0.13 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 3hkj s VAL 52 Cb -0.16 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3hkj s VAL 52 CO 0.03 0.55 0.03 -0.22 0.00 0.00 0.00 175.10 175.50 3hkj s LEU 53 N 0.08 3.73 0.00 3.92 2.96 0.21 -0.62 118.68 128.95 3hkj s LEU 53 Ca -0.08 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3hkj s LEU 53 Cb -0.15 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.67 3hkj s LEU 53 CO 0.05 0.32 0.36 1.07 -1.32 0.00 0.00 176.35 176.83 3hkj n THR 54 N 2.52 0.00 -3.21 3.68 5.66 -0.67 -0.96 114.28 121.31 3hkj n THR 54 Ca -0.18 -0.95 -0.38 0.00 -3.05 0.00 0.00 64.05 59.49 3hkj n THR 54 Cb 0.53 0.66 -0.06 0.00 -1.55 0.00 0.00 70.33 69.91 3hkj n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hkj s ALA 55 N -2.12 3.53 0.26 1.79 0.00 -1.26 -0.83 121.76 123.14 3hkj s ALA 55 Ca 0.15 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 3hkj s ALA 55 Cb -0.01 -2.70 0.35 0.00 0.00 0.00 0.00 23.12 20.75 3hkj s ALA 55 CO 0.11 0.38 1.74 0.00 0.00 0.00 0.00 175.76 177.99 3hkj h ALA 56 N 4.12 1.09 0.00 0.00 0.00 -1.70 -3.02 119.26 119.75 3hkj h ALA 56 Ca -0.49 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3hkj h ALA 56 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hkj h ALA 56 CO 0.65 0.57 0.00 1.12 0.00 0.00 0.00 179.25 181.58 3hkj h HIS 57 N 0.65 0.00 0.00 0.00 2.07 -1.89 0.11 115.15 116.09 3hkj h HIS 57 Ca 0.12 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.53 3hkj h HIS 57 Cb 0.53 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.49 3hkj h HIS 57 CO 0.02 0.00 -0.49 0.00 -3.07 0.00 0.00 177.93 174.39 3hkj n LEU 59 N -3.60 1.87 -4.24 0.00 4.77 -0.45 -4.91 117.00 110.44 3hkj n LEU 59 Ca -0.00 0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 55.94 3hkj n LEU 59 Cb 0.58 -0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 40.75 3hkj n LEU 59 CO 0.39 0.55 -0.46 -0.22 -1.33 0.00 0.00 177.39 176.32 3hkj s LEU 60 N -7.38 2.52 0.09 2.23 0.20 0.25 -2.28 118.68 114.30 3hkj s LEU 60 Ca -0.36 -0.49 -0.25 0.00 0.69 0.00 0.00 54.13 53.71 3hkj s LEU 60 Cb 0.14 -1.60 0.08 0.00 -0.43 0.00 0.00 46.19 44.38 3hkj s LEU 60 CO 0.46 0.03 0.72 -0.47 -0.29 0.00 0.00 176.35 176.80 3hkj s TYR 60 N 1.16 -0.45 0.00 5.38 5.04 -0.01 -4.24 117.35 124.23 3hkj s TYR 60 Ca 0.01 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 3hkj s TYR 60 Cb -0.14 0.55 0.00 0.00 0.35 0.00 0.00 41.96 42.72 3hkj s TYR 60 CO -0.05 -0.73 0.00 -2.30 -1.34 0.00 0.00 175.55 171.14 3hkj n PRO 60 N -0.32 0.00 -0.43 4.97 -0.02 -1.26 -1.17 135.00 136.77 3hkj n PRO 60 Ca -0.13 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.41 3hkj n PRO 60 Cb 0.64 -0.54 0.19 0.00 -0.02 0.00 0.00 33.50 33.76 3hkj n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hkj n TRP 60 N 0.00 0.23 -4.02 6.00 8.01 -1.26 -4.99 117.44 121.41 3hkj n TRP 60 Ca 0.00 -1.29 -0.36 0.00 -1.31 0.00 0.00 57.50 54.54 3hkj n TRP 60 Cb 0.00 -0.25 -0.01 0.00 -2.01 0.00 0.00 31.31 29.04 3hkj n TRP 60 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3hkj n ASP 60 N -1.18 -2.28 -4.51 -0.99 5.68 -1.02 -4.93 116.55 107.32 3hkj n ASP 60 Ca 0.20 -1.07 -0.38 0.00 -0.50 0.00 0.00 54.79 53.04 3hkj n ASP 60 Cb 0.74 -1.30 -0.12 0.00 -1.14 0.00 0.00 41.12 39.30 3hkj n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3hkj s LYS 60 N -6.95 3.73 -0.43 0.11 2.20 -0.32 -4.99 119.74 113.10 3hkj s LYS 60 Ca 0.30 -0.45 0.08 0.00 -0.36 0.00 0.00 55.97 55.54 3hkj s LYS 60 Cb -0.17 -3.52 0.31 0.00 -1.51 0.00 0.00 37.83 32.93 3hkj s LYS 60 CO 0.81 -0.23 0.89 -1.71 -0.36 0.00 0.00 175.35 174.75 3hkj n ASN 60 N 5.00 -1.21 -4.65 1.43 5.15 -1.22 -0.83 115.26 118.92 3hkj n ASN 60 Ca -0.15 -3.31 -0.47 0.00 -0.60 0.00 0.00 54.58 50.05 3hkj n ASN 60 Cb 0.51 0.86 -0.04 0.00 -0.53 0.00 0.00 39.78 40.58 3hkj n ASN 60 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 3hkj n PHE 60 N 0.69 2.05 -3.80 1.20 3.72 -0.97 -5.00 117.46 115.34 3hkj n PHE 60 Ca 0.14 0.41 -0.20 0.00 -0.05 0.00 0.00 57.45 57.74 3hkj n PHE 60 Cb 0.66 -2.47 -0.02 0.00 -0.94 0.00 0.00 39.48 36.71 3hkj n PHE 60 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3hkj s THR 60 N 0.49 4.83 0.36 4.37 -1.32 -1.26 -4.93 115.64 118.17 3hkj s THR 60 Ca 0.76 -1.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.39 3hkj s THR 60 Cb -0.73 -3.69 0.35 0.00 -1.51 0.00 0.00 72.50 66.92 3hkj s THR 60 CO 0.44 -0.27 1.71 -0.33 -2.21 0.00 0.00 174.62 173.95 3hkj h GLU 61 N 1.08 0.39 0.00 7.08 3.07 -1.94 0.13 114.58 124.39 3hkj h GLU 61 Ca -0.50 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.34 3hkj h GLU 61 Cb 1.24 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3hkj h GLU 61 CO 0.58 0.26 0.00 0.09 -1.40 0.00 0.00 179.01 178.54 3hkj n ASN 62 N -4.87 0.23 -0.05 1.42 4.13 -1.26 -2.87 115.26 111.99 3hkj n ASN 62 Ca 0.29 0.55 0.13 0.00 1.68 0.00 0.00 54.58 57.23 3hkj n ASN 62 Cb 0.92 -0.60 0.41 0.00 -1.54 0.00 0.00 39.78 38.97 3hkj n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3hkj n ASP 63 N -1.75 0.45 -4.36 6.41 8.00 0.45 -4.90 116.55 120.86 3hkj n ASP 63 Ca 0.04 -0.21 -0.18 0.00 0.71 0.00 0.00 54.79 55.15 3hkj n ASP 63 Cb 0.24 0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 3hkj n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hkj s LEU 64 N -2.85 2.07 0.04 0.64 1.43 -1.14 -1.32 118.68 117.56 3hkj s LEU 64 Ca 0.16 -1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 51.91 3hkj s LEU 64 Cb 0.18 -0.24 -0.01 0.00 0.03 0.00 0.00 46.19 46.16 3hkj s LEU 64 CO 0.60 -0.58 0.13 -0.76 0.23 0.00 0.00 176.35 175.97 3hkj s LEU 65 N -3.35 1.68 -0.06 1.79 1.43 -0.67 -4.48 118.68 115.02 3hkj s LEU 65 Ca 0.32 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 3hkj s LEU 65 Cb 0.07 0.72 -0.02 0.00 0.03 0.00 0.00 46.19 46.99 3hkj s LEU 65 CO 0.11 -0.55 -0.20 0.68 0.23 0.00 0.00 176.35 176.62 3hkj s VAL 66 N -2.77 2.50 -0.18 -1.59 -7.23 -0.74 -0.81 120.40 109.58 3hkj s VAL 66 Ca -0.04 -0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 59.22 3hkj s VAL 66 Cb -0.00 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 35.00 3hkj s VAL 66 CO -0.05 0.57 -0.16 -0.13 -0.31 0.00 0.00 175.10 175.02 3hkj s ARG 67 N -0.36 3.11 0.04 4.82 0.52 -0.41 -1.20 118.95 125.47 3hkj s ARG 67 Ca 0.03 -0.77 0.05 0.00 -0.52 0.00 0.00 55.73 54.51 3hkj s ARG 67 Cb -0.12 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 3hkj s ARG 67 CO 0.02 -0.17 -0.07 0.42 0.02 0.00 0.00 175.30 175.52 3hkj s ILE 68 N 1.25 3.57 -0.35 1.52 1.01 0.70 -1.14 121.20 127.77 3hkj s ILE 68 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.73 3hkj s ILE 68 Cb -0.14 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.73 3hkj s ILE 68 CO -0.09 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.75 3hkj n GLY 69 N 1.22 0.59 3.91 6.18 0.00 -1.25 0.14 105.19 115.99 3hkj n GLY 69 Ca -0.14 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.70 3hkj n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkj s LYS 70 N -2.48 3.16 0.07 1.61 1.02 -1.26 -4.20 119.74 117.66 3hkj s LYS 70 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.06 3hkj s LYS 70 Cb 0.00 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 35.00 3hkj s LYS 70 CO 0.00 -0.51 0.00 1.58 -0.92 0.00 0.00 175.35 175.50 3hkj n HIS 71 N -2.46 -0.55 -1.80 3.18 -0.00 -1.26 -4.90 115.22 107.43 3hkj n HIS 71 Ca 0.03 0.10 -0.41 0.00 -0.00 0.00 0.00 57.72 57.44 3hkj n HIS 71 Cb 0.57 0.38 0.00 0.00 -0.00 0.00 0.00 29.99 30.94 3hkj n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3hkj s SER 72 N -4.56 6.29 0.09 0.26 0.15 -1.26 -0.68 113.70 113.98 3hkj s SER 72 Ca 0.00 3.05 -0.07 0.00 0.70 0.00 0.00 55.95 59.62 3hkj s SER 72 Cb 0.00 -2.67 -0.23 0.00 -1.71 0.00 0.00 66.02 61.42 3hkj s SER 72 CO 0.00 -0.91 1.18 -0.09 1.20 0.00 0.00 173.24 174.62 3hkj h ARG 73 N 2.92 0.41 0.00 5.44 2.43 -1.23 -3.40 114.38 120.94 3hkj h ARG 73 Ca -0.51 -0.57 -0.09 0.00 -0.81 0.00 0.00 59.98 58.01 3hkj h ARG 73 Cb 1.24 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 3hkj h ARG 73 CO 0.64 1.23 -1.65 0.25 -1.51 0.00 0.00 179.97 178.93 3hkj n THR 74 N -3.67 0.33 -2.62 0.20 -2.24 -1.26 -5.02 114.28 100.00 3hkj n THR 74 Ca -0.10 -0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 60.97 3hkj n THR 74 Cb 0.96 -0.17 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 3hkj n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hkj s ARG 75 N -2.60 4.11 -0.63 -0.78 0.52 -1.26 -4.98 118.95 113.33 3hkj s ARG 75 Ca -0.05 1.38 -0.24 0.00 -0.52 0.00 0.00 55.73 56.29 3hkj s ARG 75 Cb 0.06 -2.36 0.05 0.00 0.52 0.00 0.00 34.95 33.21 3hkj s ARG 75 CO 0.49 -0.17 1.03 -0.47 0.02 0.00 0.00 175.30 176.20 3hkj s TYR 76 N -1.85 2.64 -1.27 -0.53 6.04 -1.26 -4.88 117.35 116.24 3hkj s TYR 76 Ca 0.61 -0.17 -0.16 0.00 0.04 0.00 0.00 57.07 57.39 3hkj s TYR 76 Cb -0.18 -4.29 0.11 0.00 -1.04 0.00 0.00 41.96 36.57 3hkj s TYR 76 CO 0.22 -1.61 1.64 0.39 -1.54 0.00 0.00 175.55 174.65 3hkj n GLU 77 N 7.98 3.27 -1.77 4.97 1.02 -1.26 -4.98 120.64 129.87 3hkj n GLU 77 Ca 0.01 -3.49 -0.39 0.00 -0.02 0.00 0.00 57.16 53.27 3hkj n GLU 77 Cb 0.47 -3.30 0.04 0.00 -0.02 0.00 0.00 31.44 28.63 3hkj n GLU 77 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hkj s ARG 77 N 3.03 3.26 -1.91 3.49 3.52 -1.26 -0.98 118.95 128.10 3hkj s ARG 77 Ca 0.49 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 58.39 3hkj s ARG 77 Cb 0.02 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 31.05 3hkj s ARG 77 CO 0.04 -1.11 0.00 0.09 -0.81 0.00 0.00 175.30 173.51 3hkj n ASN 78 N -0.82 -5.55 0.04 -2.12 3.02 -1.26 -4.69 115.26 103.87 3hkj n ASN 78 Ca 0.09 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 3hkj n ASN 78 Cb 0.44 -4.69 0.00 0.00 -0.61 0.00 0.00 39.78 34.92 3hkj n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hkj n ILE 79 N -3.22 0.00 -1.65 2.41 5.41 -1.03 -5.12 119.36 116.16 3hkj n ILE 79 Ca -0.22 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.23 3hkj n ILE 79 Cb 0.67 -0.12 0.09 0.00 -0.71 0.00 0.00 39.64 39.56 3hkj n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3hkj s GLU 80 N -1.26 2.15 -0.04 0.38 -1.05 -0.15 -4.77 118.70 113.96 3hkj s GLU 80 Ca 0.00 0.52 0.01 0.00 -0.15 0.00 0.00 54.97 55.35 3hkj s GLU 80 Cb 0.00 -1.94 0.02 0.00 -0.44 0.00 0.00 34.13 31.78 3hkj s GLU 80 CO 0.00 -1.55 -0.02 0.21 0.95 0.00 0.00 175.26 174.85 3hkj s LYS 81 N -5.24 0.51 -0.18 -4.83 2.36 0.12 -4.88 119.74 107.59 3hkj s LYS 81 Ca 0.61 0.01 -0.07 0.00 -2.55 0.00 0.00 55.97 53.96 3hkj s LYS 81 Cb -0.13 -0.63 -0.04 0.00 -1.05 0.00 0.00 37.83 35.97 3hkj s LYS 81 CO 0.53 -0.12 0.06 0.42 1.55 0.00 0.00 175.35 177.79 3hkj s ILE 82 N 1.02 4.69 0.08 5.43 1.09 -1.26 -0.22 121.20 132.04 3hkj s ILE 82 Ca -0.10 -0.07 0.06 0.00 -1.10 0.00 0.00 60.65 59.45 3hkj s ILE 82 Cb -0.14 -3.11 -0.03 0.00 -1.06 0.00 0.00 42.46 38.12 3hkj s ILE 82 CO -0.01 0.45 -0.17 -0.44 -0.10 0.00 0.00 174.94 174.67 3hkj s SER 83 N 0.45 2.03 0.39 3.58 0.01 -0.35 -4.99 113.70 114.83 3hkj s SER 83 Ca 0.03 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3hkj s SER 83 Cb -0.13 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 3hkj s SER 83 CO 0.01 -0.02 0.60 -0.04 0.41 0.00 0.00 173.24 174.20 3hkj s MET 84 N -1.82 3.30 -0.20 12.44 -1.94 -1.26 -1.79 119.30 128.03 3hkj s MET 84 Ca 0.02 -0.41 -0.12 0.00 -1.71 0.00 0.00 55.69 53.47 3hkj s MET 84 Cb -0.10 -2.62 -0.05 0.00 2.01 0.00 0.00 34.83 34.08 3hkj s MET 84 CO 0.03 -0.04 0.22 -0.51 -0.01 0.00 0.00 175.02 174.72 3hkj s LEU 85 N -4.42 4.18 -0.09 -0.03 1.43 -1.26 -1.55 118.68 116.93 3hkj s LEU 85 Ca 0.44 0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 3hkj s LEU 85 Cb -0.10 -2.23 -0.28 0.00 0.03 0.00 0.00 46.19 43.60 3hkj s LEU 85 CO 0.37 0.08 0.71 -0.08 0.23 0.00 0.00 176.35 177.66 3hkj h GLU 86 N 7.06 0.23 -2.18 1.70 4.81 -0.08 -3.44 114.58 122.67 3hkj h GLU 86 Ca -0.39 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 58.39 3hkj h GLU 86 Cb 1.16 0.14 -0.18 0.00 0.63 0.00 0.00 28.75 30.50 3hkj h GLU 86 CO 0.72 1.18 0.17 0.21 -0.73 0.00 0.00 179.01 180.57 3hkj s LYS 87 N -2.42 1.07 -0.07 1.92 2.47 -1.06 -4.99 119.74 116.66 3hkj s LYS 87 Ca -0.18 0.14 0.02 0.00 -1.56 0.00 0.00 55.97 54.39 3hkj s LYS 87 Cb 0.02 0.50 -0.02 0.00 -1.46 0.00 0.00 37.83 36.87 3hkj s LYS 87 CO 0.78 -0.35 -0.12 0.42 0.16 0.00 0.00 175.35 176.23 3hkj s ILE 88 N -1.55 3.25 -0.39 5.43 1.01 -1.26 -0.61 121.20 127.07 3hkj s ILE 88 Ca -0.09 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.93 3hkj s ILE 88 Cb -0.00 -2.31 0.12 0.00 0.01 0.00 0.00 42.46 40.28 3hkj s ILE 88 CO 0.07 0.58 0.17 -0.31 0.00 0.00 0.00 174.94 175.45 3hkj s TYR 89 N -0.53 2.23 0.14 3.97 1.51 0.19 -4.97 117.35 119.88 3hkj s TYR 89 Ca 0.07 -2.36 -0.30 0.00 -1.01 0.00 0.00 57.07 53.48 3hkj s TYR 89 Cb -0.12 -2.05 -0.07 0.00 -0.11 0.00 0.00 41.96 39.62 3hkj s TYR 89 CO 0.02 -0.83 1.03 0.42 -1.11 0.00 0.00 175.55 175.08 3hkj s ILE 90 N 0.75 4.19 0.20 2.71 -1.09 -1.26 -1.06 121.20 125.64 3hkj s ILE 90 Ca 0.14 1.84 -0.32 0.00 -2.23 0.00 0.00 60.65 60.08 3hkj s ILE 90 Cb -0.22 -4.18 -0.14 0.00 -1.58 0.00 0.00 42.46 36.35 3hkj s ILE 90 CO -0.08 0.29 1.42 1.57 -1.23 0.00 0.00 174.94 176.91 3hkj n HIS 91 N 2.65 2.05 0.33 3.97 -0.00 -0.87 -4.83 115.22 118.51 3hkj n HIS 91 Ca 0.03 0.43 0.21 0.00 -0.00 0.00 0.00 57.72 58.39 3hkj n HIS 91 Cb 0.48 -2.45 1.13 0.00 -0.00 0.00 0.00 29.99 29.14 3hkj n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3hkj h PRO 92 N 4.58 0.00 -0.24 1.57 0.13 -1.93 -2.37 132.00 133.74 3hkj h PRO 92 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 3hkj h PRO 92 Cb 1.28 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 3hkj h PRO 92 CO 0.79 0.00 -0.12 0.54 -0.23 0.00 0.00 178.00 178.97 3hkj n ARG 93 N -3.23 1.93 -1.81 0.86 1.74 -1.26 -4.99 116.66 109.91 3hkj n ARG 93 Ca -0.03 -3.07 -0.42 0.00 -0.77 0.00 0.00 57.85 53.55 3hkj n ARG 93 Cb 0.11 -1.75 -0.03 0.00 -1.02 0.00 0.00 32.46 29.77 3hkj n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3hkj s TYR 94 N -3.13 1.54 -0.87 -1.55 5.04 -0.90 -4.71 117.35 112.78 3hkj s TYR 94 Ca 0.42 0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 54.97 3hkj s TYR 94 Cb 0.37 -4.07 0.19 0.00 0.35 0.00 0.00 41.96 38.80 3hkj s TYR 94 CO 0.01 -4.41 0.90 1.21 -1.34 0.00 0.00 175.55 171.91 3hkj s ASN 95 N 5.07 6.72 0.20 4.32 3.84 -0.38 -4.85 114.94 129.86 3hkj s ASN 95 Ca 0.85 -2.45 0.23 0.00 0.21 0.00 0.00 52.86 51.70 3hkj s ASN 95 Cb -0.35 -2.28 0.20 0.00 -0.55 0.00 0.00 41.25 38.26 3hkj s ASN 95 CO 0.36 -0.75 1.24 4.11 -2.79 0.00 0.00 177.10 179.26 3hkj h TRP 96 N 8.17 0.00 0.01 0.43 5.08 -1.91 0.59 115.95 128.31 3hkj h TRP 96 Ca 0.13 0.00 -0.22 0.00 1.08 0.00 0.00 58.89 59.88 3hkj h TRP 96 Cb 1.03 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.19 3hkj h TRP 96 CO 1.08 0.00 -0.94 0.00 -1.28 0.00 0.00 178.44 177.31 3hkj h ARG 97 N 0.00 0.34 0.00 0.12 3.08 -2.00 -3.43 114.38 112.49 3hkj h ARG 97 Ca 0.00 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.67 3hkj h ARG 97 Cb 0.90 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3hkj h ARG 97 CO 0.00 1.07 0.00 -1.91 -1.07 0.00 0.00 179.97 178.06 3hkj n GLU 97 N -3.71 0.00 -1.13 0.04 4.07 -1.25 -4.99 120.64 113.68 3hkj n GLU 97 Ca -0.06 0.06 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3hkj n GLU 97 Cb 0.84 -0.38 -0.01 0.00 -0.06 0.00 0.00 31.44 31.83 3hkj n GLU 97 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 3hkj n ASN 98 N -1.83 0.16 -2.61 4.31 6.94 -1.18 -4.97 115.26 116.08 3hkj n ASN 98 Ca 0.00 -1.91 -0.20 0.00 -0.02 0.00 0.00 54.58 52.44 3hkj n ASN 98 Cb 0.00 -0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 3hkj n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3hkj n LEU 99 N 0.24 -2.02 -4.77 -4.53 4.77 0.20 -4.92 117.00 105.97 3hkj n LEU 99 Ca -0.06 -0.07 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 3hkj n LEU 99 Cb 0.89 -2.82 -0.01 0.00 -2.33 0.00 0.00 43.42 39.16 3hkj n LEU 99 CO -0.06 -0.08 0.99 -0.62 -1.33 0.00 0.00 177.39 176.29 3hkj s ASP 100 N -2.24 6.35 -1.36 -1.43 2.15 -1.16 -2.19 116.67 116.79 3hkj s ASP 100 Ca 0.09 2.71 -0.05 0.00 0.43 0.00 0.00 52.55 55.74 3hkj s ASP 100 Cb -0.04 -2.64 0.02 0.00 -0.30 0.00 0.00 42.92 39.96 3hkj s ASP 100 CO 0.12 -0.83 0.87 0.54 -0.17 0.00 0.00 175.17 175.70 3hkj n ARG 101 N 0.24 -5.68 -2.45 4.34 1.74 -1.26 -1.25 116.66 112.33 3hkj n ARG 101 Ca 0.03 0.67 -0.39 0.00 -0.77 0.00 0.00 57.85 57.39 3hkj n ARG 101 Cb 0.43 -5.44 -0.02 0.00 -1.02 0.00 0.00 32.46 26.41 3hkj n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hkj s ASP 102 N -3.97 6.39 -0.00 0.55 2.15 -0.93 -4.30 116.67 116.55 3hkj s ASP 102 Ca 0.24 -2.23 -0.15 0.00 0.43 0.00 0.00 52.55 50.84 3hkj s ASP 102 Cb -0.12 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 39.95 3hkj s ASP 102 CO 0.80 -1.65 0.33 -0.51 -0.17 0.00 0.00 175.17 173.96 3hkj s ILE 103 N 5.92 0.06 0.04 4.11 2.07 -1.26 -3.78 121.20 128.36 3hkj s ILE 103 Ca 0.57 -0.50 -0.16 0.00 -1.41 0.00 0.00 60.65 59.15 3hkj s ILE 103 Cb 0.03 -0.71 0.03 0.00 0.13 0.00 0.00 42.46 41.94 3hkj s ILE 103 CO 0.09 -0.27 0.37 0.00 -1.91 0.00 0.00 174.94 173.21 3hkj s ALA 104 N -1.62 -0.88 0.03 1.50 0.00 -0.01 -2.05 121.76 118.74 3hkj s ALA 104 Ca -0.11 0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.14 3hkj s ALA 104 Cb -0.04 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3hkj s ALA 104 CO 0.03 -0.42 -0.26 -0.51 0.00 0.00 0.00 175.76 174.59 3hkj s LEU 105 N -1.96 2.16 -0.10 0.00 1.43 -0.22 -1.67 118.68 118.32 3hkj s LEU 105 Ca -0.06 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 3hkj s LEU 105 Cb -0.01 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.93 3hkj s LEU 105 CO -0.02 0.27 -0.09 -0.04 0.23 0.00 0.00 176.35 176.70 3hkj s MET 106 N -1.13 1.59 -0.21 1.70 -1.94 0.21 0.53 119.30 120.05 3hkj s MET 106 Ca 0.11 -0.31 -0.15 0.00 -1.71 0.00 0.00 55.69 53.63 3hkj s MET 106 Cb -0.10 -1.52 -0.04 0.00 2.01 0.00 0.00 34.83 35.18 3hkj s MET 106 CO 0.02 -0.16 0.36 0.21 -0.01 0.00 0.00 175.02 175.44 3hkj s LYS 107 N 1.31 4.15 0.67 2.03 2.20 0.22 -1.06 119.74 129.26 3hkj s LYS 107 Ca -0.02 0.13 -0.12 0.00 -0.36 0.00 0.00 55.97 55.59 3hkj s LYS 107 Cb -0.14 -3.54 -0.00 0.00 -1.51 0.00 0.00 37.83 32.64 3hkj s LYS 107 CO -0.04 -0.03 1.06 -0.51 -0.36 0.00 0.00 175.35 175.47 3hkj s LEU 108 N 1.30 3.24 0.06 5.43 1.43 0.13 0.55 118.68 130.82 3hkj s LEU 108 Ca 0.17 1.67 -0.20 0.00 -1.03 0.00 0.00 54.13 54.75 3hkj s LEU 108 Cb -0.15 -4.51 -0.12 0.00 0.03 0.00 0.00 46.19 41.45 3hkj s LEU 108 CO 0.07 -1.37 1.41 0.11 0.23 0.00 0.00 176.35 176.81 3hkj h LYS 109 N -0.39 0.39 -5.62 1.70 1.57 -1.58 -3.39 116.57 109.26 3hkj h LYS 109 Ca -0.45 -0.17 -0.47 0.00 -1.87 0.00 0.00 60.65 57.69 3hkj h LYS 109 Cb 1.21 -0.01 -0.22 0.00 0.08 0.00 0.00 32.23 33.29 3hkj h LYS 109 CO 0.57 0.69 -0.80 0.15 -0.57 0.00 0.00 179.45 179.49 3hkj s LYS 110 N -4.57 0.97 0.44 3.15 1.02 -1.26 -4.96 119.74 114.52 3hkj s LYS 110 Ca -0.14 -0.97 -0.25 0.00 0.02 0.00 0.00 55.97 54.63 3hkj s LYS 110 Cb 0.06 -1.05 -0.08 0.00 -0.52 0.00 0.00 37.83 36.24 3hkj s LYS 110 CO 0.75 0.25 1.27 -1.25 -0.92 0.00 0.00 175.35 175.45 3hkj s PRO 111 N -1.63 3.82 -0.05 -1.68 0.04 -1.26 -4.88 135.00 129.36 3hkj s PRO 111 Ca 0.02 2.06 -0.08 0.00 0.04 0.00 0.00 61.00 63.04 3hkj s PRO 111 Cb -0.09 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 3hkj s PRO 111 CO 0.03 -0.59 0.23 0.54 0.04 0.00 0.00 177.00 177.25 3hkj s VAL 112 N -1.34 5.36 0.12 -0.36 0.11 0.36 -5.01 120.40 119.65 3hkj s VAL 112 Ca 0.60 0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 59.67 3hkj s VAL 112 Cb -0.36 -3.51 -0.07 0.00 -1.53 0.00 0.00 36.38 30.91 3hkj s VAL 112 CO 0.45 0.52 0.82 0.00 -3.33 0.00 0.00 175.10 173.56 3hkj s ALA 113 N -1.14 3.38 0.59 1.54 0.00 -1.26 -4.70 121.76 120.17 3hkj s ALA 113 Ca 0.21 0.40 -0.14 0.00 0.00 0.00 0.00 51.96 52.42 3hkj s ALA 113 Cb -0.13 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 3hkj s ALA 113 CO 0.10 0.15 1.03 -0.06 0.00 0.00 0.00 175.76 176.99 3hkj s PHE 114 N -0.59 3.24 0.00 0.00 0.08 -1.26 -4.89 117.98 114.56 3hkj s PHE 114 Ca 0.39 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.89 3hkj s PHE 114 Cb -0.23 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.34 3hkj s PHE 114 CO 0.26 -0.86 0.00 -1.13 -0.10 0.00 0.00 175.22 173.39 3hkj n SER 115 N -2.20 0.00 0.17 1.36 3.41 0.22 -4.90 113.62 111.67 3hkj n SER 115 Ca 0.07 -0.63 0.13 0.00 -0.26 0.00 0.00 58.87 58.18 3hkj n SER 115 Cb 0.53 0.00 0.54 0.00 -0.26 0.00 0.00 64.21 65.02 3hkj n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hkj h ASP 116 N 0.00 0.00 0.00 4.04 3.32 -1.97 -3.03 116.42 118.78 3hkj h ASP 116 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hkj h ASP 116 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3hkj h ASP 116 CO 0.00 0.00 -0.39 -1.22 -1.72 0.00 0.00 179.24 175.91 3hkj n TYR 117 N -2.47 0.00 -3.96 4.55 4.01 -1.26 -4.69 117.16 113.33 3hkj n TYR 117 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.46 3hkj n TYR 117 Cb 0.26 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.12 3hkj n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3hkj s ILE 118 N -1.70 1.53 -0.24 -0.72 1.01 -1.14 -3.97 121.20 115.97 3hkj s ILE 118 Ca 0.02 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.54 3hkj s ILE 118 Cb 0.05 -1.67 0.07 0.00 0.01 0.00 0.00 42.46 40.93 3hkj s ILE 118 CO 0.28 0.09 0.58 -2.28 0.00 0.00 0.00 174.94 173.61 3hkj s HIS 119 N 1.43 -0.88 0.57 3.97 2.46 -0.94 -0.61 115.29 121.29 3hkj s HIS 119 Ca -0.02 1.80 -0.21 0.00 0.47 0.00 0.00 55.06 57.10 3hkj s HIS 119 Cb -0.17 0.49 -0.04 0.00 -0.13 0.00 0.00 32.58 32.73 3hkj s HIS 119 CO -0.08 -0.46 1.32 -1.25 -2.47 0.00 0.00 174.74 171.81 3hkj s PRO 120 N 1.57 3.04 0.30 2.88 0.04 -1.26 -2.75 135.00 138.82 3hkj s PRO 120 Ca -0.10 2.14 0.03 0.00 0.04 0.00 0.00 61.00 63.11 3hkj s PRO 120 Cb -0.07 -2.15 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 3hkj s PRO 120 CO -0.17 -1.24 0.47 0.54 0.04 0.00 0.00 177.00 176.64 3hkj s VAL 121 N -1.36 5.09 0.27 -0.36 0.11 -0.15 -4.91 120.40 119.09 3hkj s VAL 121 Ca 0.74 -0.71 -0.08 0.00 -2.93 0.00 0.00 61.98 59.00 3hkj s VAL 121 Cb -0.38 -3.83 -0.06 0.00 -1.53 0.00 0.00 36.38 30.58 3hkj s VAL 121 CO 0.44 -0.44 0.57 0.00 -3.33 0.00 0.00 175.10 172.34 3hkj s LEU 123 N -3.22 4.27 0.53 0.00 1.02 -1.26 -0.63 118.68 119.39 3hkj s LEU 123 Ca 0.46 0.37 -0.18 0.00 0.02 0.00 0.00 54.13 54.80 3hkj s LEU 123 Cb -0.11 -2.26 -0.06 0.00 0.02 0.00 0.00 46.19 43.78 3hkj s LEU 123 CO 0.26 0.34 1.04 -2.16 0.02 0.00 0.00 176.35 175.86 3hkj s PRO 124 N -1.40 3.60 0.38 1.29 0.04 -1.26 -4.91 135.00 132.74 3hkj s PRO 124 Ca 0.20 1.27 0.06 0.00 0.04 0.00 0.00 61.00 62.56 3hkj s PRO 124 Cb -0.12 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.40 3hkj s PRO 124 CO 0.10 -0.58 0.46 -0.40 0.04 0.00 0.00 177.00 176.61 3hkj n ASP 125 N -1.46 1.58 0.18 6.66 3.85 -1.26 -4.82 116.55 121.29 3hkj n ASP 125 Ca 0.09 -2.07 -0.14 0.00 -0.71 0.00 0.00 54.79 51.95 3hkj n ASP 125 Cb 0.53 -0.21 -0.08 0.00 -1.35 0.00 0.00 41.12 40.01 3hkj n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 3hkj h ARG 126 N 0.00 -0.37 0.16 0.11 2.43 -1.97 -3.24 114.38 111.49 3hkj h ARG 126 Ca -0.19 0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3hkj h ARG 126 Cb 0.82 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3hkj h ARG 126 CO 0.28 -0.24 -0.18 1.05 -1.51 0.00 0.00 179.97 179.37 3hkj h GLU 127 N -0.40 -0.37 -0.58 0.20 9.09 -2.04 0.16 114.58 120.65 3hkj h GLU 127 Ca -0.04 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3hkj h GLU 127 Cb 0.30 0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3hkj h GLU 127 CO 0.06 -0.25 0.00 2.41 0.05 0.00 0.00 179.01 181.29 3hkj n THR 128 N -5.31 0.00 0.00 -1.06 -1.04 -1.22 0.89 114.28 106.54 3hkj n THR 128 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3hkj n THR 128 Cb 0.22 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 3hkj n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkj n ALA 129 N 0.48 0.00 -0.01 2.41 0.00 0.04 -1.07 120.51 122.37 3hkj n ALA 129 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 3hkj n ALA 129 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3hkj n ALA 129 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hkj h SER 129 N 0.00 0.08 0.54 0.00 0.02 0.25 -3.37 113.55 111.07 3hkj h SER 129 Ca 0.00 -0.27 -0.29 0.00 -0.84 0.00 0.00 61.79 60.39 3hkj h SER 129 Cb 0.00 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 3hkj h SER 129 CO 0.00 0.34 -1.57 -0.07 -1.14 0.00 0.00 176.83 174.39 3hkj h LEU 129 N -0.17 0.12 -6.11 5.07 3.38 -1.32 -3.41 115.31 112.86 3hkj h LEU 129 Ca 0.02 -0.20 -0.68 0.00 0.09 0.00 0.00 57.88 57.10 3hkj h LEU 129 Cb 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3hkj h LEU 129 CO 0.00 1.18 2.88 0.18 0.09 0.00 0.00 178.44 182.76 3hkj n LEU 130 N -3.23 5.97 -4.20 1.67 4.77 -1.26 -4.81 117.00 115.91 3hkj n LEU 130 Ca -0.15 -3.70 -0.24 0.00 -0.03 0.00 0.00 56.01 51.89 3hkj n LEU 130 Cb 1.03 -1.46 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 3hkj n LEU 130 CO 0.46 0.64 -0.50 -1.10 -1.33 0.00 0.00 177.39 175.56 3hkj s GLN 131 N 3.77 1.26 0.23 3.23 -0.21 -1.26 -4.95 119.66 121.73 3hkj s GLN 131 Ca 0.51 -0.83 -0.31 0.00 0.02 0.00 0.00 55.36 54.75 3hkj s GLN 131 Cb 0.14 -1.32 -0.14 0.00 1.00 0.00 0.00 33.01 32.70 3hkj s GLN 131 CO -0.02 0.34 1.33 0.00 -2.12 0.00 0.00 175.29 174.82 3hkj n ALA 132 N 2.01 0.61 0.00 6.09 0.00 -1.26 -1.73 120.51 126.23 3hkj n ALA 132 Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.69 3hkj n ALA 132 Cb 0.54 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3hkj n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkj n GLY 133 N 2.03 2.77 3.76 0.00 0.00 0.10 -4.93 105.19 108.92 3hkj n GLY 133 Ca 0.12 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3hkj n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkj s TYR 134 N -1.69 2.56 -0.07 1.61 1.51 -0.71 -4.54 117.35 116.03 3hkj s TYR 134 Ca 0.00 1.47 0.00 0.00 -1.01 0.00 0.00 57.07 57.53 3hkj s TYR 134 Cb 0.00 -3.56 -0.03 0.00 -0.11 0.00 0.00 41.96 38.26 3hkj s TYR 134 CO 0.00 -2.17 -0.05 0.15 -1.11 0.00 0.00 175.55 172.37 3hkj s LYS 135 N -2.90 2.79 0.44 -0.62 1.02 -1.26 -1.16 119.74 118.04 3hkj s LYS 135 Ca 0.69 -0.53 0.06 0.00 0.02 0.00 0.00 55.97 56.22 3hkj s LYS 135 Cb -0.33 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 3hkj s LYS 135 CO 0.39 0.67 0.14 0.20 -0.92 0.00 0.00 175.35 175.83 3hkj s GLY 136 N -0.86 2.47 0.06 -3.33 0.00 -0.29 -4.83 107.32 100.54 3hkj s GLY 136 Ca 0.13 -1.87 0.08 0.00 0.00 0.00 0.00 44.72 43.06 3hkj s GLY 136 CO 0.02 -2.00 -0.20 -1.60 0.00 0.00 0.00 173.10 169.32 3hkj s ARG 137 N -3.89 1.96 0.00 2.90 3.52 0.27 -1.52 118.95 122.20 3hkj s ARG 137 Ca 0.35 -1.05 0.06 0.00 -0.13 0.00 0.00 55.73 54.96 3hkj s ARG 137 Cb 0.05 -2.13 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 3hkj s ARG 137 CO 0.19 0.52 -0.20 0.08 -0.81 0.00 0.00 175.30 175.09 3hkj s VAL 138 N -0.94 1.56 0.03 7.11 1.01 -0.31 0.15 120.40 129.01 3hkj s VAL 138 Ca 0.15 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3hkj s VAL 138 Cb -0.10 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 3hkj s VAL 138 CO 0.05 0.35 -0.05 0.42 0.00 0.00 0.00 175.10 175.88 3hkj s THR 139 N -0.57 0.28 0.00 3.92 -4.23 -1.25 -1.69 115.64 112.11 3hkj s THR 139 Ca 0.07 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 3hkj s THR 139 Cb -0.08 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.31 3hkj s THR 139 CO 0.00 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 3hkj n GLY 140 N 1.48 0.88 1.46 3.99 0.00 -0.18 -4.58 105.19 108.24 3hkj n GLY 140 Ca -0.23 -0.92 0.08 0.00 0.00 0.00 0.00 46.02 44.95 3hkj n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hkj n TRP 141 N -0.33 1.56 -0.62 1.61 8.01 -1.26 -1.40 117.44 125.02 3hkj n TRP 141 Ca 0.00 -0.77 -0.30 0.00 -1.31 0.00 0.00 57.50 55.12 3hkj n TRP 141 Cb 0.00 -0.40 0.27 0.00 -2.01 0.00 0.00 31.31 29.17 3hkj n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 3hkj s GLY 142 N -1.24 1.47 0.88 6.99 0.00 -1.26 -4.46 107.32 109.70 3hkj s GLY 142 Ca 0.49 -0.88 -0.11 0.00 0.00 0.00 0.00 44.72 44.22 3hkj s GLY 142 CO 0.14 0.09 1.10 -1.31 0.00 0.00 0.00 173.10 173.13 3hkj s ASN 143 N -3.43 3.47 -0.21 1.64 0.02 -1.26 -3.02 114.94 112.14 3hkj s ASN 143 Ca 0.70 1.83 0.12 0.00 -1.02 0.00 0.00 52.86 54.48 3hkj s ASN 143 Cb -0.12 -2.43 -0.21 0.00 0.02 0.00 0.00 41.25 38.51 3hkj s ASN 143 CO 0.57 -2.70 -0.04 0.18 0.02 0.00 0.00 177.10 175.14 3hkj n LEU 144 N -3.95 1.08 -4.47 0.60 4.77 0.26 -0.41 117.00 114.88 3hkj n LEU 144 Ca 0.09 -0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.80 3hkj n LEU 144 Cb 0.53 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 3hkj n LEU 144 CO 0.53 0.64 -0.32 -1.59 -1.33 0.00 0.00 177.39 175.32 3hkj s LYS 145 N -2.48 1.66 0.06 3.23 -2.85 -1.26 -4.31 119.74 113.79 3hkj s LYS 145 Ca -0.18 -1.89 -0.35 0.00 -1.00 0.00 0.00 55.97 52.54 3hkj s LYS 145 Cb 0.07 -1.12 -0.15 0.00 -2.06 0.00 0.00 37.83 34.57 3hkj s LYS 145 CO 0.71 -0.07 1.55 -1.91 0.10 0.00 0.00 175.35 175.74 3hkj n GLU 146 N -0.69 1.72 -1.52 1.78 2.13 -1.26 -4.75 120.64 118.05 3hkj n GLU 146 Ca -0.04 0.62 -0.43 0.00 0.66 0.00 0.00 57.16 57.97 3hkj n GLU 146 Cb 0.65 -2.35 -0.06 0.00 0.27 0.00 0.00 31.44 29.95 3hkj n GLU 146 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3hkj n THR 147 N 3.45 0.10 -0.06 6.31 5.66 -1.15 -4.75 114.28 123.84 3hkj n THR 147 Ca 0.19 -0.45 -0.13 0.00 -3.05 0.00 0.00 64.05 60.61 3hkj n THR 147 Cb 0.24 -2.08 -0.06 0.00 -1.55 0.00 0.00 70.33 66.88 3hkj n THR 147 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 3hkj h TRP 148 N 15.35 0.47 -6.69 1.09 -0.00 -1.93 -3.51 115.95 120.74 3hkj h TRP 148 Ca -0.26 -0.13 -0.54 0.00 -0.00 0.00 0.00 58.89 57.96 3hkj h TRP 148 Cb 1.29 -0.10 -0.08 0.00 -0.00 0.00 0.00 29.16 30.27 3hkj h TRP 148 CO 0.97 0.74 -0.93 -2.37 -0.00 0.00 0.00 178.44 176.85 3hkj n THR 149 N -4.54 -2.77 0.00 2.65 5.66 -1.26 -5.27 114.28 108.74 3hkj n THR 149 Ca -0.05 -0.57 0.00 0.00 -3.05 0.00 0.00 64.05 60.38 3hkj n THR 149 Cb 0.35 -2.34 0.00 0.00 -1.55 0.00 0.00 70.33 66.79 3hkj n THR 149 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hkj n GLY 150 N -2.14 1.68 3.87 1.09 0.00 -1.26 -5.34 105.19 103.10 3hkj n GLY 150 Ca -0.27 -0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 3hkj n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hkj s GLN 151 N 0.00 3.81 0.45 1.61 -1.52 -1.26 0.91 119.66 123.66 3hkj s GLN 151 Ca 0.00 0.30 -0.06 0.00 -1.95 0.00 0.00 55.36 53.65 3hkj s GLN 151 Cb 0.00 -2.62 -0.04 0.00 -0.22 0.00 0.00 33.01 30.12 3hkj s GLN 151 CO 0.00 0.29 0.77 -1.25 -0.25 0.00 0.00 175.29 174.85 3hkj s PRO 152 N -2.87 3.60 -0.03 2.91 0.04 -1.26 -4.88 135.00 132.52 3hkj s PRO 152 Ca 0.48 0.24 -0.06 0.00 0.04 0.00 0.00 61.00 61.70 3hkj s PRO 152 Cb -0.11 -2.40 -0.29 0.00 0.04 0.00 0.00 34.50 31.74 3hkj s PRO 152 CO 0.21 -0.14 0.75 1.03 0.04 0.00 0.00 177.00 178.89 3hkj h SER 153 N 0.55 0.48 -4.39 6.66 0.87 -1.96 -3.44 113.55 112.33 3hkj h SER 153 Ca -0.47 -0.72 -0.30 0.00 -1.23 0.00 0.00 61.79 59.07 3hkj h SER 153 Cb 1.20 -0.16 -0.15 0.00 -0.44 0.00 0.00 62.40 62.86 3hkj h SER 153 CO 0.62 1.60 -0.66 0.68 -0.53 0.00 0.00 176.83 178.54 3hkj s VAL 154 N -2.60 0.75 0.14 2.23 -7.23 -1.26 -0.76 120.40 111.67 3hkj s VAL 154 Ca -0.12 -1.99 -0.34 0.00 -1.81 0.00 0.00 61.98 57.71 3hkj s VAL 154 Cb 0.06 -2.15 -0.17 0.00 0.56 0.00 0.00 36.38 34.68 3hkj s VAL 154 CO 0.85 -0.46 1.09 -0.11 -0.31 0.00 0.00 175.10 176.16 3hkj n LEU 155 N -0.27 0.94 -4.64 1.32 7.94 0.14 -4.83 117.00 117.60 3hkj n LEU 155 Ca -0.06 1.14 -0.34 0.00 -1.11 0.00 0.00 56.01 55.64 3hkj n LEU 155 Cb 0.63 -1.13 -0.10 0.00 0.53 0.00 0.00 43.42 43.35 3hkj n LEU 155 CO 0.34 -1.58 -0.34 -1.10 -1.11 0.00 0.00 177.39 173.60 3hkj s GLN 156 N -0.30 2.87 0.11 1.96 -1.52 -0.49 -1.30 119.66 120.98 3hkj s GLN 156 Ca 0.76 -0.48 0.08 0.00 -1.95 0.00 0.00 55.36 53.77 3hkj s GLN 156 Cb -0.95 -2.70 -0.04 0.00 -0.22 0.00 0.00 33.01 29.11 3hkj s GLN 156 CO 0.53 0.68 -0.21 0.54 -0.25 0.00 0.00 175.29 176.58 3hkj s VAL 157 N -0.88 1.74 -0.20 1.09 0.11 -0.16 -1.01 120.40 121.10 3hkj s VAL 157 Ca 0.14 -1.59 -0.27 0.00 -2.93 0.00 0.00 61.98 57.33 3hkj s VAL 157 Cb -0.11 -1.60 0.08 0.00 -1.53 0.00 0.00 36.38 33.22 3hkj s VAL 157 CO 0.03 -0.08 0.79 0.54 -3.33 0.00 0.00 175.10 173.04 3hkj s VAL 158 N -1.24 0.00 -0.07 2.04 0.11 -0.68 -1.47 120.40 119.09 3hkj s VAL 158 Ca 0.07 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.09 3hkj s VAL 158 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 3hkj s VAL 158 CO 0.05 0.00 0.09 0.20 -3.33 0.00 0.00 175.10 172.10 3hkj s ASN 159 N -0.25 5.85 -0.01 3.54 0.01 -1.26 -1.17 114.94 121.66 3hkj s ASN 159 Ca -0.03 0.28 -0.02 0.00 -0.71 0.00 0.00 52.86 52.37 3hkj s ASN 159 Cb -0.03 -1.77 -0.00 0.00 0.41 0.00 0.00 41.25 39.86 3hkj s ASN 159 CO 0.03 0.35 0.05 -0.76 -1.51 0.00 0.00 177.10 175.25 3hkj s LEU 160 N -1.26 1.87 0.23 0.60 1.43 -0.57 -4.99 118.68 115.98 3hkj s LEU 160 Ca 0.18 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 3hkj s LEU 160 Cb -0.12 0.26 -0.08 0.00 0.03 0.00 0.00 46.19 46.29 3hkj s LEU 160 CO 0.07 -0.17 0.65 -2.16 0.23 0.00 0.00 176.35 174.98 3hkj s PRO 161 N -0.67 4.03 0.26 1.29 0.04 -1.26 -1.14 135.00 137.55 3hkj s PRO 161 Ca -0.07 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 61.28 3hkj s PRO 161 Cb -0.05 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 3hkj s PRO 161 CO 0.00 0.34 1.16 0.42 0.04 0.00 0.00 177.00 178.96 3hkj s ILE 162 N -1.69 3.36 0.08 0.56 1.01 -0.31 -1.07 121.20 123.16 3hkj s ILE 162 Ca 0.45 1.31 -0.06 0.00 0.00 0.00 0.00 60.65 62.35 3hkj s ILE 162 Cb -0.13 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.45 3hkj s ILE 162 CO 0.20 0.28 0.33 -0.69 0.00 0.00 0.00 174.94 175.06 3hkj s VAL 163 N -0.86 5.22 0.38 2.92 1.01 0.31 -0.72 120.40 128.66 3hkj s VAL 163 Ca 0.48 0.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.27 3hkj s VAL 163 Cb -0.34 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 3hkj s VAL 163 CO 0.42 0.18 1.44 -0.62 0.00 0.00 0.00 175.10 176.52 3hkj n GLU 164 N 0.53 2.51 -0.12 2.72 4.71 -1.26 -4.58 120.64 125.15 3hkj n GLU 164 Ca -0.06 0.88 -0.05 0.00 -0.01 0.00 0.00 57.16 57.92 3hkj n GLU 164 Cb 0.52 -2.60 0.02 0.00 -1.01 0.00 0.00 31.44 28.37 3hkj n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3hkj h ARG 165 N 2.77 0.00 0.26 3.49 2.43 -1.96 -0.85 114.38 120.53 3hkj h ARG 165 Ca -0.50 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3hkj h ARG 165 Cb 1.25 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 3hkj h ARG 165 CO 0.63 0.00 -0.13 -1.35 -1.51 0.00 0.00 179.97 177.62 3hkj h PRO 166 N 0.00 -0.34 -0.70 0.20 0.11 -1.99 0.23 132.00 129.52 3hkj h PRO 166 Ca 0.19 0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.48 3hkj h PRO 166 Cb 0.30 0.08 -0.11 0.00 0.11 0.00 0.00 31.00 31.37 3hkj h PRO 166 CO -0.41 -0.22 0.11 0.28 -0.21 0.00 0.00 178.00 177.55 3hkj h VAL 167 N -0.36 0.50 -0.35 3.15 2.07 -1.86 0.25 116.25 119.64 3hkj h VAL 167 Ca -0.04 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 3hkj h VAL 167 Cb 0.28 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3hkj h VAL 167 CO 0.06 0.04 0.07 0.00 0.02 0.00 0.00 177.57 177.76 3hkj h LYS 169 N 0.42 0.29 0.00 0.00 3.64 0.14 -0.44 116.57 120.63 3hkj h LYS 169 Ca 0.11 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3hkj h LYS 169 Cb 0.33 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3hkj h LYS 169 CO 0.00 0.19 0.00 -0.25 -2.27 0.00 0.00 179.45 177.13 3hkj n ASP 170 N -5.03 0.00 0.08 4.20 8.00 0.68 -2.91 116.55 121.56 3hkj n ASP 170 Ca 0.04 0.29 0.12 0.00 0.71 0.00 0.00 54.79 55.95 3hkj n ASP 170 Cb 0.18 -0.40 0.14 0.00 -0.02 0.00 0.00 41.12 41.02 3hkj n ASP 170 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3hkj h SER 171 N 0.00 0.00 -4.94 -2.24 4.64 -0.43 -3.48 113.55 107.10 3hkj h SER 171 Ca 0.00 -0.16 -0.21 0.00 -0.47 0.00 0.00 61.79 60.95 3hkj h SER 171 Cb 0.22 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.16 3hkj h SER 171 CO 0.00 0.08 -0.67 0.28 -0.87 0.00 0.00 176.83 175.65 3hkj s THR 172 N -3.21 0.42 -0.70 2.95 -1.32 -1.14 -4.76 115.64 107.87 3hkj s THR 172 Ca 0.05 -1.92 0.25 0.00 -1.21 0.00 0.00 61.69 58.85 3hkj s THR 172 Cb 0.12 -1.91 0.09 0.00 -1.51 0.00 0.00 72.50 69.29 3hkj s THR 172 CO 0.73 -0.64 1.42 0.54 -2.21 0.00 0.00 174.62 174.47 3hkj n ARG 173 N -0.10 0.25 -2.44 7.08 3.00 -1.26 -4.90 116.66 118.30 3hkj n ARG 173 Ca -0.09 0.10 -0.39 0.00 -0.01 0.00 0.00 57.85 57.46 3hkj n ARG 173 Cb 0.63 -1.68 -0.04 0.00 0.00 0.00 0.00 32.46 31.36 3hkj n ARG 173 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3hkj s ILE 174 N -3.14 3.44 -0.69 0.55 1.01 -1.26 -4.97 121.20 116.15 3hkj s ILE 174 Ca 0.08 1.30 -0.27 0.00 0.00 0.00 0.00 60.65 61.75 3hkj s ILE 174 Cb 0.14 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.86 3hkj s ILE 174 CO 0.69 0.19 1.35 -0.60 0.00 0.00 0.00 174.94 176.58 3hkj s ARG 175 N -1.94 3.17 -0.26 2.79 6.06 -1.26 -4.97 118.95 122.54 3hkj s ARG 175 Ca 0.51 -0.01 -0.26 0.00 -2.50 0.00 0.00 55.73 53.48 3hkj s ARG 175 Cb -0.29 -4.18 0.00 0.00 0.06 0.00 0.00 34.95 30.54 3hkj s ARG 175 CO 0.37 -2.14 0.90 0.96 -2.50 0.00 0.00 175.30 172.89 3hkj s ILE 176 N 6.07 4.75 0.92 4.11 -4.36 -1.26 -4.91 121.20 126.52 3hkj s ILE 176 Ca 0.42 1.60 -0.12 0.00 -0.26 0.00 0.00 60.65 62.29 3hkj s ILE 176 Cb -0.09 -4.20 0.20 0.00 1.25 0.00 0.00 42.46 39.62 3hkj s ILE 176 CO 0.18 -0.19 1.25 0.42 0.24 0.00 0.00 174.94 176.84 3hkj s THR 177 N 3.05 2.01 -2.05 8.37 -4.23 -1.26 -4.96 115.64 116.57 3hkj s THR 177 Ca 0.38 -0.19 0.23 0.00 -1.18 0.00 0.00 61.69 60.93 3hkj s THR 177 Cb -0.15 -2.82 0.62 0.00 1.34 0.00 0.00 72.50 71.49 3hkj s THR 177 CO 0.09 0.00 1.83 0.47 -0.54 0.00 0.00 174.62 176.48 3hkj n ASP 178 N -3.56 0.25 -1.39 3.99 8.00 -1.26 -2.93 116.55 119.65 3hkj n ASP 178 Ca 0.17 -1.34 0.10 0.00 0.71 0.00 0.00 54.79 54.43 3hkj n ASP 178 Cb 0.60 -0.01 0.33 0.00 -0.02 0.00 0.00 41.12 42.01 3hkj n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hkj n ASN 179 N -0.68 4.20 -4.14 -2.24 3.02 -1.26 -4.93 115.26 109.24 3hkj n ASN 179 Ca 0.17 -2.18 -0.09 0.00 -0.03 0.00 0.00 54.58 52.44 3hkj n ASN 179 Cb 0.12 -0.51 -0.10 0.00 -0.61 0.00 0.00 39.78 38.68 3hkj n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkj s MET 180 N -1.35 0.87 0.16 3.52 0.23 -1.15 -0.36 119.30 121.21 3hkj s MET 180 Ca 0.48 -1.40 -0.14 0.00 -1.03 0.00 0.00 55.69 53.61 3hkj s MET 180 Cb 0.28 0.21 0.02 0.00 -1.53 0.00 0.00 34.83 33.80 3hkj s MET 180 CO 0.29 -0.22 0.39 -0.59 -2.03 0.00 0.00 175.02 172.86 3hkj s PHE 181 N -4.00 0.02 0.23 3.16 -0.12 -0.71 -4.80 117.98 111.77 3hkj s PHE 181 Ca 0.20 -0.38 0.11 0.00 -0.05 0.00 0.00 56.93 56.82 3hkj s PHE 181 Cb 0.08 0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 3hkj s PHE 181 CO -0.01 -0.76 -0.16 0.00 -0.05 0.00 0.00 175.22 174.24 3hkj s ALA 183 N -2.07 0.01 0.00 0.00 0.00 -1.04 -0.53 121.76 118.13 3hkj s ALA 183 Ca 0.27 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3hkj s ALA 183 Cb -0.07 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3hkj s ALA 183 CO 0.14 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.97 3hkj n GLY 184 N 0.57 4.17 3.91 0.00 0.00 -0.23 -1.49 105.19 112.12 3hkj n GLY 184 Ca -0.18 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 3hkj n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkj s TYR 184 N -2.15 3.28 0.33 1.61 2.02 -1.26 -4.65 117.35 116.53 3hkj s TYR 184 Ca 0.00 0.76 -0.27 0.00 -0.37 0.00 0.00 57.07 57.19 3hkj s TYR 184 Cb 0.00 -2.83 -0.09 0.00 -0.40 0.00 0.00 41.96 38.64 3hkj s TYR 184 CO 0.00 -0.92 1.12 0.21 -1.57 0.00 0.00 175.55 174.39 3hkj s LYS 185 N -5.10 4.40 0.59 -0.62 2.20 -1.26 -4.92 119.74 115.03 3hkj s LYS 185 Ca 0.55 1.79 0.29 0.00 -0.36 0.00 0.00 55.97 58.24 3hkj s LYS 185 Cb -0.11 -2.95 1.47 0.00 -1.51 0.00 0.00 37.83 34.74 3hkj s LYS 185 CO 0.47 0.00 1.89 -1.35 -0.36 0.00 0.00 175.35 176.00 3hkj h PRO 186 N 3.28 0.00 0.20 4.03 0.11 -1.96 -1.28 132.00 136.38 3hkj h PRO 186 Ca -0.48 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 3hkj h PRO 186 Cb 1.22 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.36 3hkj h PRO 186 CO 0.65 0.00 -1.31 0.38 -0.21 0.00 0.00 178.00 177.51 3hkj h ASP 186 N 0.00 0.67 0.00 -2.05 2.03 -2.00 -3.32 116.42 111.76 3hkj h ASP 186 Ca 0.21 -0.93 0.00 0.00 -0.73 0.00 0.00 57.03 55.59 3hkj h ASP 186 Cb 1.19 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 3hkj h ASP 186 CO -0.00 1.62 0.82 -0.33 -1.03 0.00 0.00 179.24 180.32 3hkj h GLU 186 N -0.05 0.00 0.00 4.15 5.08 -1.61 -3.42 114.58 118.73 3hkj h GLU 186 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3hkj h GLU 186 Cb 1.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3hkj h GLU 186 CO 0.21 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 3hkj n GLY 186 N -1.42 0.00 3.47 -3.84 0.00 -1.25 -4.78 105.19 97.36 3hkj n GLY 186 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3hkj n GLY 186 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hkj s LYS 186 N -0.41 4.00 0.00 1.61 2.20 -1.26 -4.99 119.74 120.89 3hkj s LYS 186 Ca 0.00 -2.41 0.00 0.00 -0.36 0.00 0.00 55.97 53.20 3hkj s LYS 186 Cb 0.00 -5.05 0.00 0.00 -1.51 0.00 0.00 37.83 31.27 3hkj s LYS 186 CO 0.00 -1.78 0.00 0.54 -0.36 0.00 0.00 175.35 173.75 3hkj n ARG 187 N 5.91 0.37 0.00 4.03 1.74 -1.26 -4.63 116.66 122.82 3hkj n ARG 187 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 3hkj n ARG 187 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 3hkj n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkj n GLY 188 N 3.26 2.66 3.83 -0.13 0.00 -1.24 -4.94 105.19 108.63 3hkj n GLY 188 Ca 0.00 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 3hkj n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hkj s ASP 189 N 0.00 -0.15 -0.11 1.61 3.68 -0.04 -4.75 116.67 116.92 3hkj s ASP 189 Ca 0.00 -0.82 -0.06 0.00 2.13 0.00 0.00 52.55 53.79 3hkj s ASP 189 Cb 0.00 0.77 -0.04 0.00 -1.45 0.00 0.00 42.92 42.20 3hkj s ASP 189 CO 0.00 -1.47 0.13 0.00 0.13 0.00 0.00 175.17 173.97 3hkj s ALA 190 N -3.33 3.84 0.21 3.66 0.00 -1.26 0.12 121.76 124.99 3hkj s ALA 190 Ca 0.13 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3hkj s ALA 190 Cb -0.05 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.17 3hkj s ALA 190 CO 0.09 0.63 0.26 0.00 0.00 0.00 0.00 175.76 176.73 3hkj h GLU 192 N 0.00 0.73 0.00 0.00 4.57 -1.94 -1.79 114.58 116.15 3hkj h GLU 192 Ca -0.10 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3hkj h GLU 192 Cb 0.45 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3hkj h GLU 192 CO 0.15 0.55 0.00 0.78 -1.18 0.00 0.00 179.01 179.31 3hkj h GLY 193 N 0.82 0.00 0.97 1.92 0.00 -1.92 -2.34 103.07 102.52 3hkj h GLY 193 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3hkj h GLY 193 CO -0.03 0.00 -0.57 1.22 0.00 0.00 0.00 176.54 177.16 3hkj n ASP 194 N -2.53 0.55 -4.72 0.19 8.00 -0.67 -3.85 116.55 113.52 3hkj n ASP 194 Ca -0.00 -0.21 -0.40 0.00 0.71 0.00 0.00 54.79 54.89 3hkj n ASP 194 Cb 0.13 0.30 0.02 0.00 -0.02 0.00 0.00 41.12 41.55 3hkj n ASP 194 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hkj n SER 195 N -1.63 2.69 0.00 -2.24 3.41 -0.88 -1.39 113.62 113.57 3hkj n SER 195 Ca 0.05 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 3hkj n SER 195 Cb 0.36 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.77 3hkj n SER 195 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hkj n GLY 196 N 0.76 2.66 3.77 5.00 0.00 0.10 -1.47 105.19 116.01 3hkj n GLY 196 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3hkj n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hkj s GLY 197 N -2.07 1.58 0.28 -0.02 0.00 -0.49 -2.87 107.32 103.72 3hkj s GLY 197 Ca 0.00 -0.53 -0.07 0.00 0.00 0.00 0.00 44.72 44.11 3hkj s GLY 197 CO 0.00 0.05 0.58 2.56 0.00 0.00 0.00 173.10 176.28 3hkj s PRO 198 N -5.25 3.72 -0.31 2.90 0.04 -1.26 -1.20 135.00 133.63 3hkj s PRO 198 Ca 0.65 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.86 3hkj s PRO 198 Cb -0.15 -2.62 0.08 0.00 0.04 0.00 0.00 34.50 31.85 3hkj s PRO 198 CO 0.54 0.23 0.01 0.12 0.04 0.00 0.00 177.00 177.94 3hkj s PHE 199 N -2.01 3.46 0.25 0.56 2.19 -0.43 -3.76 117.98 118.23 3hkj s PHE 199 Ca 0.46 -2.42 0.08 0.00 0.33 0.00 0.00 56.93 55.38 3hkj s PHE 199 Cb -0.11 -2.44 -0.04 0.00 -1.31 0.00 0.00 43.02 39.12 3hkj s PHE 199 CO 0.26 -0.89 0.12 0.14 1.83 0.00 0.00 175.22 176.68 3hkj s VAL 200 N 1.09 4.08 -0.01 3.12 -7.23 0.12 -1.12 120.40 120.45 3hkj s VAL 200 Ca 0.00 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 3hkj s VAL 200 Cb -0.20 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.56 3hkj s VAL 200 CO -0.05 -0.33 0.01 -0.04 -0.31 0.00 0.00 175.10 174.38 3hkj s MET 201 N -3.70 -0.01 -0.26 4.82 -1.94 0.68 0.97 119.30 119.87 3hkj s MET 201 Ca 0.32 0.06 -0.17 0.00 -1.71 0.00 0.00 55.69 54.19 3hkj s MET 201 Cb -0.08 -0.08 -0.03 0.00 2.01 0.00 0.00 34.83 36.65 3hkj s MET 201 CO 0.23 -0.05 0.45 0.21 -0.01 0.00 0.00 175.02 175.84 3hkj s LYS 202 N 0.33 4.06 -0.06 2.03 2.20 -1.26 -0.04 119.74 127.00 3hkj s LYS 202 Ca -0.03 0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.48 3hkj s LYS 202 Cb -0.04 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 3hkj s LYS 202 CO -0.01 -0.29 1.11 0.45 -0.36 0.00 0.00 175.35 176.25 3hkj s SER 203 N 1.53 7.15 0.30 1.43 0.15 0.70 -4.91 113.70 120.05 3hkj s SER 203 Ca 0.19 1.71 0.26 0.00 0.70 0.00 0.00 55.95 58.81 3hkj s SER 203 Cb -0.16 -2.56 0.95 0.00 -1.71 0.00 0.00 66.02 62.54 3hkj s SER 203 CO 0.09 -0.50 1.76 -0.65 1.20 0.00 0.00 173.24 175.15 3hkj h PRO 204 N 7.21 0.00 -0.01 5.44 0.11 -1.96 0.20 132.00 143.00 3hkj h PRO 204 Ca -0.34 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.58 3hkj h PRO 204 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3hkj h PRO 204 CO 0.85 0.00 -0.85 0.74 -0.21 0.00 0.00 178.00 178.54 3hkj h PHE 204 N 0.00 0.30 0.00 0.65 -1.00 -1.96 -3.38 116.94 111.54 3hkj h PHE 204 Ca 0.00 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.62 3hkj h PHE 204 Cb 0.53 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.06 3hkj h PHE 204 CO 0.00 0.96 -0.04 0.27 -1.61 0.00 0.00 178.31 177.89 3hkj n ASN 204 N -3.68 0.11 -0.78 2.17 2.04 -1.20 -5.02 115.26 108.90 3hkj n ASN 204 Ca -0.03 -1.14 -0.10 0.00 -0.44 0.00 0.00 54.58 52.87 3hkj n ASN 204 Cb 0.79 -0.02 -0.04 0.00 -2.53 0.00 0.00 39.78 37.97 3hkj n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3hkj n ASN 205 N -0.03 -5.17 -4.92 0.53 5.15 0.71 -4.98 115.26 106.54 3hkj n ASN 205 Ca 0.00 0.25 -0.25 0.00 -0.60 0.00 0.00 54.58 53.98 3hkj n ASN 205 Cb 0.50 -3.57 -0.03 0.00 -0.53 0.00 0.00 39.78 36.15 3hkj n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3hkj s ARG 206 N -2.71 3.35 -0.16 1.20 0.52 -1.24 -4.81 118.95 115.10 3hkj s ARG 206 Ca 0.00 -0.67 -0.15 0.00 -0.52 0.00 0.00 55.73 54.38 3hkj s ARG 206 Cb 0.00 -2.90 -0.04 0.00 0.52 0.00 0.00 34.95 32.53 3hkj s ARG 206 CO 0.00 0.50 0.37 -1.58 0.02 0.00 0.00 175.30 174.61 3hkj s TRP 207 N -1.79 3.45 0.00 -0.53 0.52 -1.26 -0.21 118.94 119.11 3hkj s TRP 207 Ca 0.34 0.67 0.06 0.00 0.02 0.00 0.00 56.10 57.20 3hkj s TRP 207 Cb -0.10 -2.45 -0.03 0.00 -1.15 0.00 0.00 33.47 29.74 3hkj s TRP 207 CO 0.28 0.15 -0.20 0.71 0.02 0.00 0.00 176.95 177.91 3hkj s TYR 208 N 0.76 2.53 -0.46 -1.98 2.02 0.94 -2.19 117.35 118.96 3hkj s TYR 208 Ca 0.20 -0.28 -0.20 0.00 -0.37 0.00 0.00 57.07 56.41 3hkj s TYR 208 Cb -0.14 -1.51 0.03 0.00 -0.40 0.00 0.00 41.96 39.94 3hkj s TYR 208 CO 0.07 0.16 0.63 -1.14 -1.57 0.00 0.00 175.55 173.69 3hkj s GLN 209 N -1.02 3.22 0.11 -0.62 0.74 0.19 -0.23 119.66 122.04 3hkj s GLN 209 Ca 0.12 -0.55 0.17 0.00 0.05 0.00 0.00 55.36 55.15 3hkj s GLN 209 Cb -0.10 -4.00 -0.09 0.00 1.10 0.00 0.00 33.01 29.92 3hkj s GLN 209 CO 0.02 -1.07 0.95 0.52 -0.55 0.00 0.00 175.29 175.16 3hkj h MET 210 N 8.91 0.00 -3.56 1.67 2.86 -1.45 -3.38 114.93 119.98 3hkj h MET 210 Ca -0.26 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.33 3hkj h MET 210 Cb 1.10 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.67 3hkj h MET 210 CO 0.91 0.32 -0.06 0.20 1.06 0.00 0.00 176.91 179.34 3hkj s GLY 211 N -4.71 0.49 -0.04 8.32 0.00 -1.14 -1.42 107.32 108.82 3hkj s GLY 211 Ca -0.02 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.94 3hkj s GLY 211 CO 0.80 -0.56 -0.25 -0.42 0.00 0.00 0.00 173.10 172.67 3hkj s ILE 212 N -3.89 2.01 -0.36 0.90 1.01 -0.86 -1.32 121.20 118.69 3hkj s ILE 212 Ca 0.21 -1.06 -0.28 0.00 0.00 0.00 0.00 60.65 59.52 3hkj s ILE 212 Cb -0.02 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3hkj s ILE 212 CO 0.09 0.56 1.90 -0.69 0.00 0.00 0.00 174.94 176.81 3hkj s VAL 213 N -0.36 3.37 -0.21 2.92 1.01 -0.34 -0.39 120.40 126.40 3hkj s VAL 213 Ca 0.03 0.35 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 3hkj s VAL 213 Cb -0.12 -3.55 -0.19 0.00 0.00 0.00 0.00 36.38 32.51 3hkj s VAL 213 CO 0.01 -0.39 0.06 -0.24 0.00 0.00 0.00 175.10 174.54 3hkj n SER 214 N 11.14 1.98 -3.12 3.32 2.88 -0.73 0.02 113.62 129.11 3hkj n SER 214 Ca 0.24 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 3hkj n SER 214 Cb 0.48 -0.80 -0.01 0.00 -0.75 0.00 0.00 64.21 63.13 3hkj n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkj s ALA 215 N -2.48 -2.35 0.34 -1.46 0.00 -0.81 -4.90 121.76 110.10 3hkj s ALA 215 Ca -0.30 0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 3hkj s ALA 215 Cb 0.09 -2.74 -0.10 0.00 0.00 0.00 0.00 23.12 20.37 3hkj s ALA 215 CO 0.63 -2.23 1.23 0.20 0.00 0.00 0.00 175.76 175.59 3hkj s GLY 216 N 1.67 2.98 0.00 0.00 0.00 -1.26 -0.91 107.32 109.80 3hkj s GLY 216 Ca 0.19 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.03 3hkj s GLY 216 CO -0.07 1.73 0.24 0.00 0.00 0.00 0.00 173.10 175.00 3hkj n ALA 217 N 0.68 1.72 0.00 3.20 0.00 -1.25 -4.74 120.51 120.13 3hkj n ALA 217 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hkj n ALA 217 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 3hkj n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkj n GLY 219 N -0.21 0.00 2.14 0.00 0.00 -0.25 -3.06 105.19 103.81 3hkj n GLY 219 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3hkj n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkj s ASP 221 N 2.38 5.13 -0.78 0.00 2.15 -1.17 -2.94 116.67 121.44 3hkj s ASP 221 Ca 0.30 -0.42 0.03 0.00 0.43 0.00 0.00 52.55 52.89 3hkj s ASP 221 Cb 0.14 -1.17 0.24 0.00 -0.30 0.00 0.00 42.92 41.83 3hkj s ASP 221 CO 0.00 -0.04 0.83 -2.11 -0.17 0.00 0.00 175.17 173.68 3hkj n ARG 221 N -1.08 2.74 0.00 4.34 1.85 -1.26 -4.99 116.66 118.26 3hkj n ARG 221 Ca -0.07 -4.58 0.00 0.00 -1.00 0.00 0.00 57.85 52.19 3hkj n ARG 221 Cb 0.58 -2.34 0.00 0.00 -1.05 0.00 0.00 32.46 29.66 3hkj n ARG 221 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 3hkj n LYS 224 N 1.43 0.00 -4.41 2.89 0.00 -1.26 -5.16 118.16 111.65 3hkj n LYS 224 Ca 0.26 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.36 3hkj n LYS 224 Cb 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.31 3hkj n LYS 224 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3hkj s TYR 225 N -1.25 1.90 0.40 5.58 2.02 -1.26 -4.89 117.35 119.85 3hkj s TYR 225 Ca 0.00 -0.66 -0.14 0.00 -0.37 0.00 0.00 57.07 55.90 3hkj s TYR 225 Cb 0.00 -1.03 -0.08 0.00 -0.40 0.00 0.00 41.96 40.45 3hkj s TYR 225 CO 0.00 0.30 0.81 0.20 -1.57 0.00 0.00 175.55 175.29 3hkj s GLY 226 N -3.41 2.11 -0.07 0.71 0.00 -0.55 -3.78 107.32 102.33 3hkj s GLY 226 Ca 0.28 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.99 3hkj s GLY 226 CO 0.11 0.19 -0.12 -1.36 0.00 0.00 0.00 173.10 171.92 3hkj s PHE 227 N -2.28 2.79 0.08 1.90 2.99 -0.09 -2.50 117.98 120.86 3hkj s PHE 227 Ca 0.54 -0.22 0.07 0.00 0.00 0.00 0.00 56.93 57.32 3hkj s PHE 227 Cb -0.10 -1.70 -0.03 0.00 0.00 0.00 0.00 43.02 41.18 3hkj s PHE 227 CO 0.26 0.13 -0.17 0.71 -0.00 0.00 0.00 175.22 176.14 3hkj s TYR 228 N -0.49 1.50 0.13 0.36 1.51 -0.03 -1.77 117.35 118.56 3hkj s TYR 228 Ca 0.06 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 3hkj s TYR 228 Cb -0.12 -0.84 -0.06 0.00 -0.11 0.00 0.00 41.96 40.83 3hkj s TYR 228 CO 0.02 0.12 1.00 0.99 -1.11 0.00 0.00 175.55 176.57 3hkj s THR 229 N -1.14 4.34 -0.88 -0.71 2.01 0.48 -1.74 115.64 118.00 3hkj s THR 229 Ca 0.03 1.95 -0.25 0.00 0.31 0.00 0.00 61.69 63.73 3hkj s THR 229 Cb -0.10 -4.25 0.03 0.00 0.01 0.00 0.00 72.50 68.20 3hkj s THR 229 CO 0.03 0.30 1.44 -2.28 -0.69 0.00 0.00 174.62 173.43 3hkj s HIS 230 N -0.03 2.34 0.19 4.92 2.46 0.51 -2.04 115.29 123.64 3hkj s HIS 230 Ca 0.48 -0.34 -0.11 0.00 0.47 0.00 0.00 55.06 55.55 3hkj s HIS 230 Cb -0.25 -4.59 0.20 0.00 -0.13 0.00 0.00 32.58 27.81 3hkj s HIS 230 CO 0.31 -2.00 1.77 0.28 -2.47 0.00 0.00 174.74 172.63 3hkj h VAL 231 N 6.54 0.89 -0.40 0.89 2.07 -1.54 -2.57 116.25 122.12 3hkj h VAL 231 Ca -0.02 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3hkj h VAL 231 Cb 1.03 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3hkj h VAL 231 CO 1.35 0.09 -0.02 0.15 0.02 0.00 0.00 177.57 179.16 3hkj h PHE 232 N 0.49 0.69 0.00 1.57 3.57 -1.86 -1.23 116.94 120.18 3hkj h PHE 232 Ca 0.26 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3hkj h PHE 232 Cb 0.23 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3hkj h PHE 232 CO -0.12 0.67 -0.14 0.00 -2.23 0.00 0.00 178.31 176.49 3hkj h ARG 233 N 0.62 0.00 -0.45 1.11 2.47 -1.83 -2.16 114.38 114.14 3hkj h ARG 233 Ca 0.12 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.84 3hkj h ARG 233 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 3hkj h ARG 233 CO 0.02 0.14 0.00 1.28 0.56 0.00 0.00 179.97 181.96 3hkj n LEU 234 N -4.03 4.22 -0.22 3.04 4.77 -0.84 -4.66 117.00 119.29 3hkj n LEU 234 Ca -0.02 -2.60 -0.08 0.00 -0.03 0.00 0.00 56.01 53.28 3hkj n LEU 234 Cb 0.22 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3hkj n LEU 234 CO 0.33 0.73 0.97 0.50 -1.33 0.00 0.00 177.39 178.59 3hkj h LYS 235 N 2.90 0.92 -0.48 3.23 3.11 -0.55 -2.83 116.57 122.87 3hkj h LYS 235 Ca 0.00 -0.18 -0.02 0.00 -2.81 0.00 0.00 60.65 57.63 3hkj h LYS 235 Cb 1.37 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 32.43 3hkj h LYS 235 CO 0.21 0.81 0.21 0.87 -2.81 0.00 0.00 179.45 178.74 3hkj h LYS 236 N 0.85 0.68 -0.16 1.90 1.57 -1.83 -1.92 116.57 117.67 3hkj h LYS 236 Ca 0.20 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3hkj h LYS 236 Cb 0.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3hkj h LYS 236 CO -0.01 0.54 -0.03 2.35 -0.57 0.00 0.00 179.45 181.73 3hkj h TRP 237 N 0.68 0.34 -0.46 -1.35 7.01 -1.88 -1.64 115.95 118.65 3hkj h TRP 237 Ca 0.17 -0.07 0.09 0.00 2.11 0.00 0.00 58.89 61.19 3hkj h TRP 237 Cb 0.10 -0.08 -0.08 0.00 -2.10 0.00 0.00 29.16 27.00 3hkj h TRP 237 CO 0.01 0.57 -0.03 0.82 -2.79 0.00 0.00 178.44 177.02 3hkj h ILE 238 N 0.01 0.62 -0.05 2.65 2.04 -1.21 -1.13 117.51 120.44 3hkj h ILE 238 Ca 0.04 -0.03 -0.10 0.00 1.00 0.00 0.00 64.86 65.77 3hkj h ILE 238 Cb 0.46 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3hkj h ILE 238 CO 0.01 0.02 -0.43 1.56 0.00 0.00 0.00 178.15 179.31 3hkj h GLN 239 N 0.08 0.11 -0.06 2.37 4.20 -1.31 -1.84 115.11 118.67 3hkj h GLN 239 Ca 0.23 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3hkj h GLN 239 Cb 0.34 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3hkj h GLN 239 CO -0.40 0.52 0.03 -0.22 -0.67 0.00 0.00 178.83 178.09 3hkj h LYS 240 N 0.09 0.08 -0.10 1.46 3.64 -0.24 0.33 116.57 121.84 3hkj h LYS 240 Ca 0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hkj h LYS 240 Cb 0.79 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3hkj h LYS 240 CO 0.06 0.13 0.05 0.28 -2.27 0.00 0.00 179.45 177.70 3hkj h VAL 241 N 0.01 1.07 0.00 2.00 2.07 -1.03 -0.62 116.25 119.74 3hkj h VAL 241 Ca 0.02 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3hkj h VAL 241 Cb 0.07 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 3hkj h VAL 241 CO -0.00 0.07 -0.26 0.40 0.02 0.00 0.00 177.57 177.79 3hkj h ILE 242 N 0.07 0.99 0.10 4.57 2.04 -1.26 0.10 117.51 124.12 3hkj h ILE 242 Ca 0.03 -0.96 -0.13 0.00 1.00 0.00 0.00 64.86 64.81 3hkj h ILE 242 Cb 0.06 1.55 0.01 0.00 -0.74 0.00 0.00 36.82 37.70 3hkj h ILE 242 CO -0.01 0.25 -0.56 -0.78 0.00 0.00 0.00 178.15 177.06 3hkj h ASP 243 N 0.00 0.32 -0.17 1.72 3.58 -0.67 -3.36 116.42 117.85 3hkj h ASP 243 Ca -0.00 -0.97 -0.04 0.00 0.42 0.00 0.00 57.03 56.44 3hkj h ASP 243 Cb 0.53 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 3hkj h ASP 243 CO 0.03 1.27 -0.04 -0.61 -2.88 0.00 0.00 179.24 177.01 3hkj h GLN 244 N -0.57 0.33 -6.26 0.28 4.15 -1.07 -3.45 115.11 108.53 3hkj h GLN 244 Ca -0.10 -0.13 -0.46 0.00 0.77 0.00 0.00 58.65 58.73 3hkj h GLN 244 Cb 1.44 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 3hkj h GLN 244 CO 0.10 0.60 -0.39 -0.06 -1.93 0.00 0.00 178.83 177.16 3hkj s PHE 245 N -4.74 3.07 0.00 3.99 0.08 0.01 -5.00 117.98 115.38 3hkj s PHE 245 Ca -0.14 -0.23 0.00 0.00 0.12 0.00 0.00 56.93 56.68 3hkj s PHE 245 Cb 0.06 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 3hkj s PHE 245 CO 0.73 0.11 0.00 0.41 -0.10 0.00 0.00 175.22 176.37 3hkj n GLY 246 N -1.51 -1.91 0.00 4.36 0.00 -1.26 -4.44 105.19 100.42 3hkj n GLY 246 Ca -0.02 -1.29 0.11 0.00 0.00 0.00 0.00 46.02 44.83 3hkj n GLY 246 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50