#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpj s SER 2 N 0.00 5.61 0.15 1.61 0.15 -1.26 -3.97 113.70 115.99 3hpj s SER 2 Ca 0.00 2.29 0.01 0.00 0.70 0.00 0.00 55.95 58.95 3hpj s SER 2 Cb 0.00 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3hpj s SER 2 CO 0.00 -1.30 0.02 -1.00 1.20 0.00 0.00 173.24 172.16 3hpj s HIS 3 N -1.66 1.07 -0.02 3.44 3.76 -0.56 -4.98 115.29 116.33 3hpj s HIS 3 Ca 0.73 -1.10 -0.09 0.00 -0.15 0.00 0.00 55.06 54.45 3hpj s HIS 3 Cb -0.27 -0.61 0.01 0.00 1.11 0.00 0.00 32.58 32.82 3hpj s HIS 3 CO 0.31 -0.33 0.20 -1.54 -0.85 0.00 0.00 174.74 172.53 3hpj s SER 4 N -3.12 -0.09 -0.07 1.40 1.04 -1.26 -0.56 113.70 111.03 3hpj s SER 4 Ca 0.23 0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.74 3hpj s SER 4 Cb 0.07 0.29 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 3hpj s SER 4 CO 0.03 -0.31 -0.24 -0.32 0.98 0.00 0.00 173.24 173.37 3hpj s MET 5 N -0.99 2.68 0.00 4.02 0.00 -0.63 -0.48 119.30 123.90 3hpj s MET 5 Ca -0.11 -0.88 -0.02 0.00 0.00 0.00 0.00 55.69 54.68 3hpj s MET 5 Cb -0.06 -2.18 -0.01 0.00 0.00 0.00 0.00 34.83 32.59 3hpj s MET 5 CO 0.02 0.31 0.03 1.03 0.00 0.00 0.00 175.02 176.41 3hpj s ARG 6 N 0.02 0.24 -0.06 4.11 0.52 -0.59 -1.69 118.95 121.50 3hpj s ARG 6 Ca -0.09 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 54.87 3hpj s ARG 6 Cb -0.15 0.09 -0.02 0.00 0.52 0.00 0.00 34.95 35.40 3hpj s ARG 6 CO 0.05 -0.05 -0.19 0.71 0.02 0.00 0.00 175.30 175.85 3hpj s TYR 7 N -0.85 2.59 -0.07 -0.53 1.51 0.56 -0.49 117.35 120.08 3hpj s TYR 7 Ca -0.09 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.54 3hpj s TYR 7 Cb -0.06 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 3hpj s TYR 7 CO -0.00 -0.03 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.22 3hpj s PHE 8 N -0.36 1.51 -0.03 2.71 0.08 -0.25 -1.77 117.98 119.87 3hpj s PHE 8 Ca 0.03 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.52 3hpj s PHE 8 Cb -0.12 -1.11 0.01 0.00 -0.57 0.00 0.00 43.02 41.23 3hpj s PHE 8 CO 0.02 -0.30 -0.08 -0.06 -0.10 0.00 0.00 175.22 174.70 3hpj s PHE 9 N 0.72 0.92 -0.08 0.36 0.40 0.03 -1.20 117.98 119.12 3hpj s PHE 9 Ca -0.13 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3hpj s PHE 9 Cb -0.16 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.70 3hpj s PHE 9 CO 0.03 -0.14 -0.07 0.99 0.70 0.00 0.00 175.22 176.73 3hpj s THR 10 N 0.45 0.84 -0.12 0.64 2.01 -0.13 -1.17 115.64 118.16 3hpj s THR 10 Ca -0.07 -0.23 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3hpj s THR 10 Cb -0.11 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.55 3hpj s THR 10 CO 0.01 0.32 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.50 3hpj s SER 11 N 1.36 2.96 -0.16 3.53 0.15 0.03 -0.83 113.70 120.75 3hpj s SER 11 Ca -0.03 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3hpj s SER 11 Cb -0.14 -1.36 0.03 0.00 -1.71 0.00 0.00 66.02 62.84 3hpj s SER 11 CO -0.03 0.09 -0.09 -0.69 1.20 0.00 0.00 173.24 173.71 3hpj s VAL 12 N 0.73 1.32 0.54 4.45 1.01 -0.10 -1.16 120.40 127.19 3hpj s VAL 12 Ca -0.10 -0.63 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 3hpj s VAL 12 Cb -0.16 -1.37 -0.06 0.00 0.00 0.00 0.00 36.38 34.79 3hpj s VAL 12 CO 0.01 0.28 1.06 -0.94 0.00 0.00 0.00 175.10 175.51 3hpj s SER 13 N 1.56 6.01 -0.42 3.32 1.04 -0.40 -1.32 113.70 123.50 3hpj s SER 13 Ca 0.02 1.93 0.04 0.00 0.48 0.00 0.00 55.95 58.43 3hpj s SER 13 Cb -0.14 -2.55 0.17 0.00 0.10 0.00 0.00 66.02 63.60 3hpj s SER 13 CO -0.09 -1.01 0.39 0.00 0.98 0.00 0.00 173.24 173.51 3hpj s ARG 14 N -3.56 0.90 0.17 4.02 1.70 -1.26 -4.04 118.95 116.89 3hpj s ARG 14 Ca 0.67 -1.92 -0.31 0.00 -0.47 0.00 0.00 55.73 53.70 3hpj s ARG 14 Cb -0.18 -1.22 -0.09 0.00 -0.57 0.00 0.00 34.95 32.90 3hpj s ARG 14 CO 0.28 -1.37 1.40 -2.14 -1.08 0.00 0.00 175.30 172.39 3hpj s PRO 15 N 0.23 4.31 0.00 3.89 0.02 -1.26 -1.59 135.00 140.61 3hpj s PRO 15 Ca 0.32 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3hpj s PRO 15 Cb 0.02 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3hpj s PRO 15 CO -0.17 -0.40 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3hpj n GLY 16 N 2.94 2.97 1.89 0.52 0.00 -1.26 -4.84 105.19 107.41 3hpj n GLY 16 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 3hpj n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpj n ARG 17 N -0.50 2.15 0.00 1.61 1.74 -0.62 -5.07 116.66 115.97 3hpj n ARG 17 Ca 0.00 -3.07 0.00 0.00 -0.77 0.00 0.00 57.85 54.01 3hpj n ARG 17 Cb 0.00 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 3hpj n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hpj n GLY 18 N -1.12 -1.80 3.79 -0.13 0.00 -1.22 -4.95 105.19 99.76 3hpj n GLY 18 Ca 0.51 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 3hpj n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hpj s GLU 19 N 0.00 3.46 0.40 1.61 0.41 -1.26 -4.54 118.70 118.78 3hpj s GLU 19 Ca 0.00 1.37 -0.26 0.00 -0.41 0.00 0.00 54.97 55.67 3hpj s GLU 19 Cb 0.00 -2.04 -0.11 0.00 -1.78 0.00 0.00 34.13 30.20 3hpj s GLU 19 CO 0.00 -0.72 1.18 -2.30 -0.49 0.00 0.00 175.26 172.93 3hpj n PRO 20 N -1.50 1.75 -2.50 0.39 -0.02 -1.26 -4.74 135.00 127.11 3hpj n PRO 20 Ca 0.10 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3hpj n PRO 20 Cb 0.52 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3hpj n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3hpj s ARG 21 N -2.05 4.57 -0.11 -0.52 6.06 -0.43 -4.85 118.95 121.62 3hpj s ARG 21 Ca 0.60 1.72 0.00 0.00 -2.50 0.00 0.00 55.73 55.55 3hpj s ARG 21 Cb -0.55 -3.29 0.02 0.00 0.06 0.00 0.00 34.95 31.20 3hpj s ARG 21 CO 0.58 0.03 -0.09 0.12 -2.50 0.00 0.00 175.30 173.44 3hpj s PHE 22 N -0.05 1.60 -0.08 5.12 5.36 -1.26 -0.92 117.98 127.75 3hpj s PHE 22 Ca 0.51 -0.80 0.04 0.00 -0.96 0.00 0.00 56.93 55.72 3hpj s PHE 22 Cb -0.29 -1.28 0.00 0.00 -0.34 0.00 0.00 43.02 41.11 3hpj s PHE 22 CO 0.34 -0.51 -0.20 0.42 -1.46 0.00 0.00 175.22 173.80 3hpj s ILE 23 N 1.55 1.76 -0.04 3.12 1.01 -0.01 -0.60 121.20 127.99 3hpj s ILE 23 Ca 0.03 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.88 3hpj s ILE 23 Cb -0.13 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 3hpj s ILE 23 CO -0.07 0.49 -0.20 0.00 0.00 0.00 0.00 174.94 175.16 3hpj s ALA 24 N 0.35 1.74 0.04 9.38 0.00 -0.15 -0.95 121.76 132.17 3hpj s ALA 24 Ca -0.15 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3hpj s ALA 24 Cb -0.16 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 3hpj s ALA 24 CO 0.07 0.34 -0.07 0.14 0.00 0.00 0.00 175.76 176.23 3hpj s VAL 25 N -0.09 0.44 0.02 0.00 -7.23 -0.34 -0.63 120.40 112.58 3hpj s VAL 25 Ca -0.02 -1.02 0.07 0.00 -1.81 0.00 0.00 61.98 59.19 3hpj s VAL 25 Cb -0.12 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.27 3hpj s VAL 25 CO 0.02 -0.40 -0.20 -0.83 -0.31 0.00 0.00 175.10 173.38 3hpj s GLY 26 N -1.52 1.06 -0.00 2.32 0.00 -0.76 -1.08 107.32 107.32 3hpj s GLY 26 Ca -0.11 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.67 3hpj s GLY 26 CO 0.00 -0.88 -0.13 -0.19 0.00 0.00 0.00 173.10 171.90 3hpj s TYR 27 N -0.68 1.17 -0.20 1.90 1.51 0.36 -0.74 117.35 120.67 3hpj s TYR 27 Ca 0.07 -0.24 -0.05 0.00 -1.01 0.00 0.00 57.07 55.84 3hpj s TYR 27 Cb -0.08 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 3hpj s TYR 27 CO 0.01 -0.01 0.01 0.08 -1.11 0.00 0.00 175.55 174.53 3hpj s VAL 28 N -0.40 4.05 0.00 0.71 1.01 0.17 -1.54 120.40 124.40 3hpj s VAL 28 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3hpj s VAL 28 Cb -0.05 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3hpj s VAL 28 CO -0.00 0.43 0.00 0.47 0.00 0.00 0.00 175.10 175.99 3hpj n ASP 29 N 4.21 0.00 -1.65 3.32 10.43 0.37 -0.83 116.55 132.40 3hpj n ASP 29 Ca -0.17 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.27 3hpj n ASP 29 Cb 0.52 0.00 0.37 0.00 1.84 0.00 0.00 41.12 43.85 3hpj n ASP 29 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3hpj n ASP 30 N 5.24 5.18 -4.13 -2.24 8.00 -1.26 -4.90 116.55 122.44 3hpj n ASP 30 Ca 0.00 -2.79 -0.33 0.00 0.71 0.00 0.00 54.79 52.38 3hpj n ASP 30 Cb 0.00 -0.63 -0.16 0.00 -0.02 0.00 0.00 41.12 40.31 3hpj n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hpj s THR 31 N -2.49 2.03 0.30 -3.53 2.01 -0.01 -5.03 115.64 108.92 3hpj s THR 31 Ca 0.51 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 61.30 3hpj s THR 31 Cb 0.38 -1.82 -0.09 0.00 0.01 0.00 0.00 72.50 70.98 3hpj s THR 31 CO 0.17 0.54 1.04 -1.58 -0.69 0.00 0.00 174.62 174.10 3hpj s GLN 32 N 1.11 4.60 0.00 4.92 0.74 -1.26 -0.65 119.66 129.12 3hpj s GLN 32 Ca 0.00 1.63 0.00 0.00 0.05 0.00 0.00 55.36 57.04 3hpj s GLN 32 Cb -0.14 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.91 3hpj s GLN 32 CO -0.09 0.23 0.00 1.97 -0.55 0.00 0.00 175.29 176.86 3hpj n PHE 33 N 0.98 0.00 -4.17 1.67 -1.74 0.08 -4.26 117.46 110.02 3hpj n PHE 33 Ca 0.00 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.78 3hpj n PHE 33 Cb 0.47 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.37 3hpj n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3hpj s VAL 34 N -1.13 0.54 0.05 1.97 -7.23 -1.21 0.00 120.40 113.39 3hpj s VAL 34 Ca 0.00 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 3hpj s VAL 34 Cb 0.00 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.12 3hpj s VAL 34 CO 0.00 -0.72 0.27 0.00 -0.31 0.00 0.00 175.10 174.34 3hpj s ARG 35 N -3.90 0.80 -0.04 4.82 1.70 -0.93 -1.83 118.95 119.57 3hpj s ARG 35 Ca 0.16 -0.60 -0.02 0.00 -0.47 0.00 0.00 55.73 54.80 3hpj s ARG 35 Cb 0.06 0.34 0.02 0.00 -0.57 0.00 0.00 34.95 34.81 3hpj s ARG 35 CO -0.02 -0.26 0.10 0.12 -1.08 0.00 0.00 175.30 174.16 3hpj s PHE 36 N -2.79 -0.09 -0.11 5.89 5.36 0.20 -1.19 117.98 125.24 3hpj s PHE 36 Ca -0.03 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 3hpj s PHE 36 Cb -0.00 -0.07 0.02 0.00 -0.34 0.00 0.00 43.02 42.63 3hpj s PHE 36 CO -0.05 -0.10 -0.11 0.34 -1.46 0.00 0.00 175.22 173.84 3hpj s ASP 37 N 0.68 2.27 0.57 6.13 2.15 -1.26 -0.98 116.67 126.23 3hpj s ASP 37 Ca -0.05 -0.36 0.31 0.00 0.43 0.00 0.00 52.55 52.88 3hpj s ASP 37 Cb -0.07 -0.95 1.72 0.00 -0.30 0.00 0.00 42.92 43.31 3hpj s ASP 37 CO -0.03 -0.06 2.17 0.77 -0.17 0.00 0.00 175.17 177.85 3hpj h SER 38 N 7.86 0.00 1.23 -0.34 4.64 -1.25 -2.58 113.55 123.11 3hpj h SER 38 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3hpj h SER 38 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3hpj h SER 38 CO 0.46 0.06 -0.52 0.44 -0.87 0.00 0.00 176.83 176.40 3hpj h ASP 39 N 0.00 0.00 -4.38 4.97 5.19 -1.95 -3.48 116.42 116.78 3hpj h ASP 39 Ca -0.00 -0.08 -0.49 0.00 -0.62 0.00 0.00 57.03 55.85 3hpj h ASP 39 Cb 0.19 0.00 0.10 0.00 0.18 0.00 0.00 39.33 39.80 3hpj h ASP 39 CO 0.01 0.04 0.37 0.00 -3.12 0.00 0.00 179.24 176.54 3hpj s ALA 40 N -3.22 2.53 0.19 3.45 0.00 -0.97 -4.99 121.76 118.74 3hpj s ALA 40 Ca 0.05 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 3hpj s ALA 40 Cb 0.10 -3.07 0.11 0.00 0.00 0.00 0.00 23.12 20.26 3hpj s ALA 40 CO 0.71 -1.48 1.85 0.00 0.00 0.00 0.00 175.76 176.85 3hpj h ALA 41 N -0.91 0.80 -0.06 0.00 0.00 -1.92 -3.33 119.26 113.85 3hpj h ALA 41 Ca -0.46 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 3hpj h ALA 41 Cb 1.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hpj h ALA 41 CO 0.61 0.24 -0.75 0.66 0.00 0.00 0.00 179.25 180.02 3hpj h SER 42 N 0.86 0.45 -4.99 0.00 4.64 -1.94 -3.47 113.55 109.10 3hpj h SER 42 Ca 0.23 -0.30 -0.40 0.00 -0.47 0.00 0.00 61.79 60.85 3hpj h SER 42 Cb -0.09 -0.13 0.09 0.00 -0.31 0.00 0.00 62.40 61.96 3hpj h SER 42 CO -0.05 1.04 -0.63 0.00 -0.87 0.00 0.00 176.83 176.32 3hpj n GLN 43 N -3.82 -6.12 -4.17 4.77 1.13 -1.25 -5.01 117.38 102.91 3hpj n GLN 43 Ca -0.04 0.88 -0.16 0.00 -1.94 0.00 0.00 57.00 55.74 3hpj n GLN 43 Cb 0.72 -5.81 -0.13 0.00 0.11 0.00 0.00 30.24 25.13 3hpj n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hpj s ARG 44 N -5.94 0.64 0.25 -1.09 1.81 -1.26 -5.02 118.95 108.34 3hpj s ARG 44 Ca 0.41 -0.64 -0.30 0.00 -1.72 0.00 0.00 55.73 53.48 3hpj s ARG 44 Cb -0.18 -0.54 -0.11 0.00 -0.45 0.00 0.00 34.95 33.68 3hpj s ARG 44 CO 0.51 0.12 1.54 1.41 -0.68 0.00 0.00 175.30 178.20 3hpj s MET 45 N -1.13 4.20 0.07 3.54 -2.45 -1.26 -4.70 119.30 117.56 3hpj s MET 45 Ca -0.03 2.43 0.07 0.00 -1.25 0.00 0.00 55.69 56.91 3hpj s MET 45 Cb -0.08 -3.08 -0.03 0.00 1.25 0.00 0.00 34.83 32.89 3hpj s MET 45 CO 0.01 -0.55 -0.18 -1.21 1.05 0.00 0.00 175.02 174.13 3hpj s GLU 46 N -0.07 1.07 0.43 4.11 2.02 -0.33 -4.88 118.70 121.05 3hpj s GLU 46 Ca 0.64 -1.00 -0.22 0.00 0.02 0.00 0.00 54.97 54.41 3hpj s GLU 46 Cb -0.45 -1.21 -0.10 0.00 0.10 0.00 0.00 34.13 32.47 3hpj s GLU 46 CO 0.42 0.29 0.98 -1.25 0.02 0.00 0.00 175.26 175.72 3hpj s PRO 47 N -1.58 4.18 -0.01 0.39 0.04 -1.26 -2.19 135.00 134.56 3hpj s PRO 47 Ca 0.04 1.23 0.02 0.00 0.04 0.00 0.00 61.00 62.32 3hpj s PRO 47 Cb -0.09 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.20 3hpj s PRO 47 CO 0.03 -0.08 0.81 0.54 0.04 0.00 0.00 177.00 178.33 3hpj n ARG 48 N -0.51 1.40 -4.01 4.56 5.12 0.10 -4.87 116.66 118.46 3hpj n ARG 48 Ca 0.07 -1.15 -0.12 0.00 -1.93 0.00 0.00 57.85 54.72 3hpj n ARG 48 Cb 0.53 -0.80 -0.13 0.00 -1.16 0.00 0.00 32.46 30.90 3hpj n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hpj s ALA 49 N -0.67 0.26 0.41 7.54 0.00 -1.22 -4.68 121.76 123.39 3hpj s ALA 49 Ca 0.03 -0.40 0.09 0.00 0.00 0.00 0.00 51.96 51.68 3hpj s ALA 49 Cb 0.02 0.03 0.86 0.00 0.00 0.00 0.00 23.12 24.03 3hpj s ALA 49 CO 0.00 -0.03 1.98 -1.35 0.00 0.00 0.00 175.76 176.37 3hpj h PRO 50 N 5.28 0.32 0.00 0.00 0.11 -1.94 -3.14 132.00 132.63 3hpj h PRO 50 Ca -0.30 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 3hpj h PRO 50 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hpj h PRO 50 CO 0.45 0.34 -0.16 0.11 -0.21 0.00 0.00 178.00 178.53 3hpj h TRP 51 N 0.31 0.00 0.00 0.65 5.08 -1.97 -2.74 115.95 117.29 3hpj h TRP 51 Ca 0.07 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.04 3hpj h TRP 51 Cb 0.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.36 3hpj h TRP 51 CO 0.00 0.16 -0.52 0.97 -1.28 0.00 0.00 178.44 177.78 3hpj h ILE 52 N 0.00 0.00 0.00 0.12 6.09 -1.90 -3.33 117.51 118.50 3hpj h ILE 52 Ca -0.00 -0.74 -0.00 0.00 -1.37 0.00 0.00 64.86 62.74 3hpj h ILE 52 Cb 0.82 1.45 -0.00 0.00 0.47 0.00 0.00 36.82 39.56 3hpj h ILE 52 CO 0.02 0.00 -0.00 -0.33 -3.07 0.00 0.00 178.15 174.77 3hpj h GLU 53 N 0.00 0.00 0.00 2.19 5.08 -1.51 -1.35 114.58 118.99 3hpj h GLU 53 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hpj h GLU 53 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3hpj h GLU 53 CO 0.00 0.00 0.00 -0.56 -1.00 0.00 0.00 179.01 177.45 3hpj h GLN 54 N 0.00 0.00 -6.96 2.33 3.07 -1.71 -3.45 115.11 108.39 3hpj h GLN 54 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.21 3hpj h GLN 54 Cb 0.06 0.00 0.09 0.00 0.08 0.00 0.00 27.48 27.71 3hpj h GLN 54 CO 0.00 0.00 0.62 -1.21 0.09 0.00 0.00 178.83 178.33 3hpj s GLU 55 N -3.40 3.89 0.76 0.06 0.41 -0.51 -5.00 118.70 114.91 3hpj s GLU 55 Ca 0.04 2.17 -0.05 0.00 -0.41 0.00 0.00 54.97 56.72 3hpj s GLU 55 Cb 0.09 -2.71 0.16 0.00 -1.78 0.00 0.00 34.13 29.90 3hpj s GLU 55 CO 0.48 -0.56 1.04 0.41 -0.49 0.00 0.00 175.26 176.14 3hpj n GLY 56 N 0.65 -0.09 0.39 -1.39 0.00 -1.26 -4.85 105.19 98.64 3hpj n GLY 56 Ca 0.04 -1.92 0.21 0.00 0.00 0.00 0.00 46.02 44.36 3hpj n GLY 56 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hpj h PRO 57 N 0.00 0.00 -0.27 1.61 0.13 -1.98 -1.74 132.00 129.75 3hpj h PRO 57 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3hpj h PRO 57 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3hpj h PRO 57 CO 0.31 0.00 0.17 1.49 -0.23 0.00 0.00 178.00 179.75 3hpj h GLU 58 N 0.00 0.34 0.39 0.86 4.22 -1.99 0.13 114.58 118.54 3hpj h GLU 58 Ca 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.68 3hpj h GLU 58 Cb 1.07 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3hpj h GLU 58 CO -0.00 0.23 -0.27 -0.92 -2.18 0.00 0.00 179.01 175.86 3hpj h TYR 59 N 0.35 -0.73 -0.51 0.92 3.20 -1.69 -0.66 116.97 117.86 3hpj h TYR 59 Ca 0.10 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3hpj h TYR 59 Cb -0.04 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3hpj h TYR 59 CO -0.06 -0.41 0.25 -1.49 -1.64 0.00 0.00 178.16 174.80 3hpj h TRP 60 N -0.65 0.73 -0.51 -3.82 4.06 -1.32 0.77 115.95 115.20 3hpj h TRP 60 Ca -0.04 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 3hpj h TRP 60 Cb 0.55 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 28.46 3hpj h TRP 60 CO -0.12 0.57 0.28 -0.44 -3.56 0.00 0.00 178.44 175.17 3hpj h ASP 61 N 0.68 0.64 -0.41 -3.49 3.45 -0.98 -0.07 116.42 116.23 3hpj h ASP 61 Ca 0.18 -0.09 -0.06 0.00 0.43 0.00 0.00 57.03 57.48 3hpj h ASP 61 Cb 0.11 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.70 3hpj h ASP 61 CO -0.02 0.55 0.01 1.23 -1.57 0.00 0.00 179.24 179.43 3hpj h GLY 62 N 0.69 0.79 1.60 2.75 0.00 -0.83 -1.73 103.07 106.33 3hpj h GLY 62 Ca 0.18 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 3hpj h GLY 62 CO -0.03 0.53 -0.47 0.83 0.00 0.00 0.00 176.54 177.40 3hpj h GLU 63 N 0.56 0.43 -0.21 4.80 4.39 -0.74 -2.72 114.58 121.10 3hpj h GLU 63 Ca 0.12 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3hpj h GLU 63 Cb 0.47 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3hpj h GLU 63 CO 0.02 0.81 0.09 1.15 -1.16 0.00 0.00 179.01 179.92 3hpj h THR 64 N 0.35 1.15 -0.54 1.13 2.02 -0.89 -2.38 112.91 113.75 3hpj h THR 64 Ca 0.02 -0.45 0.08 0.00 0.77 0.00 0.00 66.41 66.83 3hpj h THR 64 Cb 0.95 1.07 -0.07 0.00 -1.74 0.00 0.00 68.15 68.37 3hpj h THR 64 CO 0.08 0.15 0.18 -0.09 0.37 0.00 0.00 175.52 176.21 3hpj h ARG 65 N 0.19 0.34 -0.23 6.66 2.43 -1.26 -1.65 114.38 120.85 3hpj h ARG 65 Ca 0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3hpj h ARG 65 Cb 0.15 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3hpj h ARG 65 CO -0.01 0.22 0.07 0.87 -1.51 0.00 0.00 179.97 179.62 3hpj h LYS 66 N 0.35 0.37 -0.17 0.20 1.57 -1.43 -2.20 116.57 115.25 3hpj h LYS 66 Ca 0.27 -0.08 -0.10 0.00 -1.87 0.00 0.00 60.65 58.87 3hpj h LYS 66 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3hpj h LYS 66 CO -0.29 0.45 -0.32 -0.24 -0.57 0.00 0.00 179.45 178.48 3hpj h VAL 67 N 0.21 1.28 -0.09 0.50 3.04 -1.22 0.34 116.25 120.31 3hpj h VAL 67 Ca 0.08 -1.35 -0.13 0.00 -1.01 0.00 0.00 66.70 64.28 3hpj h VAL 67 Cb 0.24 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 3hpj h VAL 67 CO -0.00 0.41 -0.53 0.11 -1.01 0.00 0.00 177.57 176.55 3hpj h LYS 68 N 0.30 0.27 -0.18 4.17 1.57 -1.28 -1.75 116.57 119.67 3hpj h LYS 68 Ca 0.04 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 3hpj h LYS 68 Cb 0.72 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3hpj h LYS 68 CO 0.05 0.74 -0.09 0.00 -0.57 0.00 0.00 179.45 179.58 3hpj h ALA 69 N 1.23 0.25 -0.60 3.86 0.00 -0.66 -2.86 119.26 120.48 3hpj h ALA 69 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hpj h ALA 69 Cb 1.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3hpj h ALA 69 CO 0.08 0.07 0.35 0.45 0.00 0.00 0.00 179.25 180.21 3hpj h HIS 70 N 0.06 0.65 -0.68 0.00 3.86 -0.83 -0.99 115.15 117.21 3hpj h HIS 70 Ca 0.04 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.40 3hpj h HIS 70 Cb 0.57 -0.21 -0.13 0.00 1.06 0.00 0.00 27.41 28.71 3hpj h HIS 70 CO 0.07 0.35 -0.25 1.03 0.86 0.00 0.00 177.93 179.98 3hpj h SER 71 N 0.68 -0.90 -0.43 2.45 0.87 -1.31 0.17 113.55 115.08 3hpj h SER 71 Ca 0.25 0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.99 3hpj h SER 71 Cb 0.08 0.51 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3hpj h SER 71 CO -0.13 -0.27 0.07 1.56 -0.53 0.00 0.00 176.83 177.53 3hpj h GLN 72 N -0.07 0.71 -0.09 2.24 1.08 -1.05 -2.44 115.11 115.50 3hpj h GLN 72 Ca 0.30 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 57.20 3hpj h GLN 72 Cb 0.54 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3hpj h GLN 72 CO -0.73 0.74 -0.45 1.79 -0.95 0.00 0.00 178.83 179.22 3hpj h THR 73 N 0.56 1.33 0.00 -0.54 1.35 -0.51 -1.97 112.91 113.13 3hpj h THR 73 Ca 0.13 -1.62 -0.05 0.00 -0.55 0.00 0.00 66.41 64.32 3hpj h THR 73 Cb 0.38 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 3hpj h THR 73 CO 0.01 0.48 -0.22 0.45 -0.25 0.00 0.00 175.52 175.99 3hpj h HIS 74 N 0.17 0.00 -0.61 4.73 3.86 -0.65 -0.86 115.15 121.79 3hpj h HIS 74 Ca 0.01 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 3hpj h HIS 74 Cb 0.87 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 3hpj h HIS 74 CO 0.01 0.22 0.10 0.00 0.86 0.00 0.00 177.93 179.12 3hpj h ARG 75 N 0.00 1.01 -0.19 2.45 3.08 -0.86 -1.91 114.38 117.95 3hpj h ARG 75 Ca -0.00 -0.27 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 3hpj h ARG 75 Cb 0.64 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3hpj h ARG 75 CO 0.03 0.94 0.09 0.28 -1.07 0.00 0.00 179.97 180.24 3hpj h VAL 76 N 0.91 1.13 -0.95 2.04 2.07 -1.09 -3.14 116.25 117.23 3hpj h VAL 76 Ca 0.18 -0.36 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3hpj h VAL 76 Cb 0.42 1.03 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 3hpj h VAL 76 CO 0.01 0.12 0.61 0.44 0.02 0.00 0.00 177.57 178.77 3hpj h ASP 77 N 0.18 0.90 -0.17 0.57 3.32 -1.02 -1.29 116.42 118.90 3hpj h ASP 77 Ca 0.06 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.18 3hpj h ASP 77 Cb 0.11 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3hpj h ASP 77 CO -0.01 0.53 -0.09 -0.07 -1.72 0.00 0.00 179.24 177.88 3hpj h LEU 78 N 1.00 -0.31 -0.89 1.55 3.38 -1.30 0.00 115.31 118.74 3hpj h LEU 78 Ca 0.43 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.49 3hpj h LEU 78 Cb 0.35 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3hpj h LEU 78 CO -0.19 -0.12 0.59 1.23 0.09 0.00 0.00 178.44 180.03 3hpj h GLY 79 N -0.08 1.26 0.93 0.83 0.00 -1.36 -2.08 103.07 102.58 3hpj h GLY 79 Ca 0.10 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hpj h GLY 79 CO -0.22 0.43 0.09 -0.84 0.00 0.00 0.00 176.54 175.99 3hpj h THR 80 N 1.18 1.11 -0.25 4.70 2.02 -0.82 -1.60 112.91 119.25 3hpj h THR 80 Ca 0.33 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 67.08 3hpj h THR 80 Cb -0.10 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3hpj h THR 80 CO -0.08 0.10 -0.38 -0.07 0.37 0.00 0.00 175.52 175.46 3hpj h LEU 81 N 0.16 0.60 -0.52 2.58 3.38 -0.94 0.01 115.31 120.58 3hpj h LEU 81 Ca 0.06 -0.26 0.09 0.00 0.09 0.00 0.00 57.88 57.86 3hpj h LEU 81 Cb 0.09 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3hpj h LEU 81 CO -0.01 0.92 0.10 -0.09 0.09 0.00 0.00 178.44 179.45 3hpj h ARG 82 N 0.48 0.23 -0.32 1.13 2.43 -1.20 -0.99 114.38 116.13 3hpj h ARG 82 Ca 0.04 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3hpj h ARG 82 Cb 0.88 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 3hpj h ARG 82 CO 0.08 0.15 0.21 0.78 -1.51 0.00 0.00 179.97 179.67 3hpj h GLY 83 N 0.23 0.45 1.08 2.80 0.00 -0.73 -0.69 103.07 106.22 3hpj h GLY 83 Ca 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3hpj h GLY 83 CO -0.34 0.16 0.52 -0.97 0.00 0.00 0.00 176.54 175.90 3hpj h TYR 84 N 0.42 1.18 -0.40 5.60 0.05 -0.46 -2.88 116.97 120.49 3hpj h TYR 84 Ca 0.12 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.89 3hpj h TYR 84 Cb -0.04 -0.39 0.00 0.00 1.01 0.00 0.00 36.73 37.32 3hpj h TYR 84 CO -0.06 0.79 0.00 0.66 -1.05 0.00 0.00 178.16 178.50 3hpj n TYR 85 N -4.35 0.52 -3.82 4.88 4.01 -0.42 -4.90 117.16 113.07 3hpj n TYR 85 Ca 0.10 -0.26 -0.24 0.00 -0.16 0.00 0.00 57.90 57.34 3hpj n TYR 85 Cb 0.07 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.11 3hpj n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3hpj n ASN 86 N 1.40 -1.28 -4.94 7.72 5.15 -0.77 -4.99 115.26 117.55 3hpj n ASN 86 Ca 0.19 -0.93 -0.26 0.00 -0.60 0.00 0.00 54.58 52.98 3hpj n ASN 86 Cb 0.58 -3.50 -0.03 0.00 -0.53 0.00 0.00 39.78 36.30 3hpj n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3hpj s GLN 87 N -6.24 3.46 0.84 1.20 -0.21 -0.34 -5.05 119.66 113.33 3hpj s GLN 87 Ca 0.06 -0.54 -0.11 0.00 0.02 0.00 0.00 55.36 54.79 3hpj s GLN 87 Cb -0.02 -2.91 0.09 0.00 1.00 0.00 0.00 33.01 31.17 3hpj s GLN 87 CO 0.85 0.46 1.09 -1.54 -2.12 0.00 0.00 175.29 174.04 3hpj s SER 88 N -3.34 4.07 0.14 5.90 1.04 -1.26 -4.76 113.70 115.49 3hpj s SER 88 Ca 0.36 1.45 0.27 0.00 0.48 0.00 0.00 55.95 58.51 3hpj s SER 88 Cb -0.11 -2.16 0.94 0.00 0.10 0.00 0.00 66.02 64.79 3hpj s SER 88 CO 0.29 -2.26 1.82 1.21 0.98 0.00 0.00 173.24 175.28 3hpj n GLU 89 N -3.63 0.18 -0.02 4.02 2.13 -1.26 -3.86 120.64 118.20 3hpj n GLU 89 Ca 0.07 0.15 -0.16 0.00 0.66 0.00 0.00 57.16 57.89 3hpj n GLU 89 Cb 0.55 -1.71 -0.11 0.00 0.27 0.00 0.00 31.44 30.45 3hpj n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hpj h ALA 90 N 2.66 0.08 -2.70 4.31 0.00 -1.95 -3.44 119.26 118.21 3hpj h ALA 90 Ca 0.00 -0.49 -0.51 0.00 0.00 0.00 0.00 54.91 53.91 3hpj h ALA 90 Cb 0.65 0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.52 3hpj h ALA 90 CO 0.00 0.19 0.49 0.20 0.00 0.00 0.00 179.25 180.13 3hpj s GLY 91 N -3.91 2.77 -0.06 0.00 0.00 -1.25 -4.47 107.32 100.40 3hpj s GLY 91 Ca -0.15 0.95 -0.30 0.00 0.00 0.00 0.00 44.72 45.23 3hpj s GLY 91 CO 0.77 1.40 1.00 -0.45 0.00 0.00 0.00 173.10 175.83 3hpj s SER 92 N -1.37 7.29 0.22 1.64 0.15 -1.26 -4.67 113.70 115.71 3hpj s SER 92 Ca 0.65 1.60 0.09 0.00 0.70 0.00 0.00 55.95 58.99 3hpj s SER 92 Cb -0.29 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 61.41 3hpj s SER 92 CO 0.35 -0.37 -0.17 -1.00 1.20 0.00 0.00 173.24 173.25 3hpj s HIS 93 N 1.58 1.90 -0.14 3.44 3.76 -1.26 -4.95 115.29 119.62 3hpj s HIS 93 Ca 0.50 -0.49 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 3hpj s HIS 93 Cb -0.20 -0.87 0.02 0.00 1.11 0.00 0.00 32.58 32.64 3hpj s HIS 93 CO 0.22 0.46 -0.15 0.99 -0.85 0.00 0.00 174.74 175.41 3hpj s THR 94 N -2.69 1.63 -0.16 1.30 2.01 -1.26 -1.27 115.64 115.20 3hpj s THR 94 Ca 0.24 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.49 3hpj s THR 94 Cb -0.03 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3hpj s THR 94 CO 0.09 0.47 0.05 -0.69 -0.69 0.00 0.00 174.62 173.85 3hpj s VAL 95 N 1.32 4.71 0.02 3.82 1.01 -0.31 -0.29 120.40 130.68 3hpj s VAL 95 Ca 0.02 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 61.98 3hpj s VAL 95 Cb -0.13 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 3hpj s VAL 95 CO -0.08 0.51 -0.16 -1.10 0.00 0.00 0.00 175.10 174.26 3hpj s GLN 96 N 0.00 1.17 -0.02 2.72 -0.21 -0.62 -0.79 119.66 121.91 3hpj s GLN 96 Ca 0.05 -0.71 0.02 0.00 0.02 0.00 0.00 55.36 54.75 3hpj s GLN 96 Cb -0.12 -1.18 0.00 0.00 1.00 0.00 0.00 33.01 32.71 3hpj s GLN 96 CO 0.01 0.31 -0.07 0.50 -2.12 0.00 0.00 175.29 173.92 3hpj s ARG 97 N -0.80 0.72 -0.01 2.91 3.52 -0.32 -1.26 118.95 123.71 3hpj s ARG 97 Ca 0.05 -0.25 0.01 0.00 -0.13 0.00 0.00 55.73 55.40 3hpj s ARG 97 Cb -0.07 -0.69 0.00 0.00 -1.56 0.00 0.00 34.95 32.63 3hpj s ARG 97 CO 0.01 0.12 -0.03 1.41 -0.81 0.00 0.00 175.30 176.00 3hpj s MET 98 N 0.06 0.30 0.14 5.12 1.75 -0.45 -0.79 119.30 125.43 3hpj s MET 98 Ca -0.01 -0.08 -0.10 0.00 -1.25 0.00 0.00 55.69 54.26 3hpj s MET 98 Cb -0.06 -0.34 -0.00 0.00 2.84 0.00 0.00 34.83 37.27 3hpj s MET 98 CO -0.00 0.02 0.26 1.52 -0.65 0.00 0.00 175.02 176.18 3hpj s TYR 99 N 0.20 0.26 -5.00 4.11 -0.85 -0.73 -1.26 117.35 114.07 3hpj s TYR 99 Ca -0.02 -0.64 0.00 0.00 -0.52 0.00 0.00 57.07 55.89 3hpj s TYR 99 Cb -0.05 -0.02 0.00 0.00 0.38 0.00 0.00 41.96 42.27 3hpj s TYR 99 CO -0.00 -0.66 0.00 0.41 -1.52 0.00 0.00 175.55 173.77 3hpj n GLY 100 N -0.16 -0.33 3.09 5.49 0.00 -1.03 -0.32 105.19 111.92 3hpj n GLY 100 Ca -0.11 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 3hpj n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpj s ASP 102 N -1.82 4.84 0.08 0.00 1.01 0.24 -1.60 116.67 119.42 3hpj s ASP 102 Ca -0.06 -0.13 0.08 0.00 0.71 0.00 0.00 52.55 53.15 3hpj s ASP 102 Cb -0.08 -1.16 -0.04 0.00 1.01 0.00 0.00 42.92 42.65 3hpj s ASP 102 CO -0.00 0.25 -0.18 0.68 0.21 0.00 0.00 175.17 176.12 3hpj s VAL 103 N -1.11 2.79 0.09 -1.27 -7.23 0.27 -0.23 120.40 113.72 3hpj s VAL 103 Ca 0.20 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 58.99 3hpj s VAL 103 Cb -0.11 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.62 3hpj s VAL 103 CO 0.11 0.21 0.11 0.61 -0.31 0.00 0.00 175.10 175.83 3hpj n GLY 104 N 1.16 -1.60 0.32 2.32 0.00 -0.75 -1.50 105.19 105.14 3hpj n GLY 104 Ca -0.16 -1.60 0.19 0.00 0.00 0.00 0.00 46.02 44.46 3hpj n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hpj h SER 105 N -0.49 0.00 0.31 1.61 0.02 -1.90 -1.34 113.55 111.77 3hpj h SER 105 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3hpj h SER 105 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3hpj h SER 105 CO 0.03 0.01 0.00 -0.90 -1.14 0.00 0.00 176.83 174.83 3hpj n ASP 106 N -3.35 0.00 -1.84 3.07 3.85 -1.26 -4.91 116.55 112.11 3hpj n ASP 106 Ca -0.03 -0.52 -0.17 0.00 -0.71 0.00 0.00 54.79 53.36 3hpj n ASP 106 Cb 0.11 -0.16 -0.05 0.00 -1.35 0.00 0.00 41.12 39.67 3hpj n ASP 106 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3hpj n TRP 107 N -1.16 -0.59 -3.72 2.11 7.02 -0.50 -5.01 117.44 115.60 3hpj n TRP 107 Ca 0.19 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.40 3hpj n TRP 107 Cb 0.18 -3.14 -0.03 0.00 -2.42 0.00 0.00 31.31 25.91 3hpj n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3hpj s ARG 108 N -4.03 3.50 0.12 -0.99 0.52 -1.26 -4.83 118.95 111.98 3hpj s ARG 108 Ca 0.00 -0.40 -0.35 0.00 -0.52 0.00 0.00 55.73 54.46 3hpj s ARG 108 Cb 0.00 -2.84 -0.17 0.00 0.52 0.00 0.00 34.95 32.46 3hpj s ARG 108 CO 0.00 0.40 1.09 0.34 0.02 0.00 0.00 175.30 177.14 3hpj n PHE 109 N -0.80 0.95 -0.00 -0.53 7.35 -1.26 -1.80 117.46 121.36 3hpj n PHE 109 Ca -0.05 0.80 -0.01 0.00 -0.76 0.00 0.00 57.45 57.43 3hpj n PHE 109 Cb 0.54 -2.20 -0.00 0.00 0.35 0.00 0.00 39.48 38.17 3hpj n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 3hpj n LEU 110 N 1.97 0.08 -3.59 -2.13 7.94 0.68 -4.71 117.00 117.25 3hpj n LEU 110 Ca 0.17 0.01 -0.11 0.00 -1.11 0.00 0.00 56.01 54.98 3hpj n LEU 110 Cb 0.20 -0.03 -0.03 0.00 0.53 0.00 0.00 43.42 44.08 3hpj n LEU 110 CO 0.61 0.01 0.30 0.00 -1.11 0.00 0.00 177.39 177.20 3hpj s ARG 111 N -2.02 1.26 0.05 1.96 1.70 -1.09 -4.96 118.95 115.84 3hpj s ARG 111 Ca -0.01 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.59 3hpj s ARG 111 Cb 0.01 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.89 3hpj s ARG 111 CO 0.02 -0.53 -0.05 0.20 -1.08 0.00 0.00 175.30 173.85 3hpj s GLY 112 N -2.81 0.46 0.01 3.88 0.00 -1.26 -0.59 107.32 107.01 3hpj s GLY 112 Ca 0.04 -0.91 -0.06 0.00 0.00 0.00 0.00 44.72 43.79 3hpj s GLY 112 CO -0.09 -0.99 0.11 -0.19 0.00 0.00 0.00 173.10 171.94 3hpj s TYR 113 N -2.33 0.08 -0.30 1.90 2.02 -0.58 -4.81 117.35 113.32 3hpj s TYR 113 Ca -0.04 -0.20 -0.06 0.00 -0.37 0.00 0.00 57.07 56.40 3hpj s TYR 113 Cb -0.04 -0.07 0.18 0.00 -0.40 0.00 0.00 41.96 41.63 3hpj s TYR 113 CO -0.03 -0.27 0.75 -1.58 -1.57 0.00 0.00 175.55 172.85 3hpj s HIS 114 N -1.38 -1.25 -0.02 2.71 2.46 -1.26 -2.46 115.29 114.10 3hpj s HIS 114 Ca -0.15 1.46 -0.07 0.00 0.47 0.00 0.00 55.06 56.77 3hpj s HIS 114 Cb -0.08 0.49 0.01 0.00 -0.13 0.00 0.00 32.58 32.87 3hpj s HIS 114 CO 0.01 -0.67 0.16 -0.65 -2.47 0.00 0.00 174.74 171.12 3hpj s GLN 115 N 2.86 0.39 0.13 2.88 -0.21 -0.39 -0.72 119.66 124.60 3hpj s GLN 115 Ca 0.11 -0.16 0.07 0.00 0.02 0.00 0.00 55.36 55.40 3hpj s GLN 115 Cb -0.13 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 34.01 3hpj s GLN 115 CO -0.18 -0.09 -0.18 0.71 -2.12 0.00 0.00 175.29 173.44 3hpj s TYR 116 N -0.85 1.66 0.13 0.91 2.02 0.60 -1.34 117.35 120.47 3hpj s TYR 116 Ca -0.09 -0.48 0.08 0.00 -0.37 0.00 0.00 57.07 56.21 3hpj s TYR 116 Cb -0.05 -0.87 -0.04 0.00 -0.40 0.00 0.00 41.96 40.60 3hpj s TYR 116 CO 0.01 0.23 -0.20 0.00 -1.57 0.00 0.00 175.55 174.02 3hpj s ALA 117 N -1.76 1.88 -0.10 3.71 0.00 -0.39 -0.78 121.76 124.32 3hpj s ALA 117 Ca 0.10 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.74 3hpj s ALA 117 Cb -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.84 3hpj s ALA 117 CO 0.05 0.31 -0.15 -0.47 0.00 0.00 0.00 175.76 175.50 3hpj s TYR 118 N -1.50 1.91 -1.62 0.00 5.04 -0.28 -1.59 117.35 119.31 3hpj s TYR 118 Ca 0.10 -0.87 -0.12 0.00 -2.44 0.00 0.00 57.07 53.74 3hpj s TYR 118 Cb -0.08 -1.38 0.10 0.00 0.35 0.00 0.00 41.96 40.95 3hpj s TYR 118 CO 0.05 -0.45 0.62 -0.25 -1.34 0.00 0.00 175.55 174.18 3hpj n ASP 119 N 4.16 -2.08 0.00 4.32 8.00 0.61 -1.87 116.55 129.68 3hpj n ASP 119 Ca -0.19 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3hpj n ASP 119 Cb 0.51 -2.71 0.00 0.00 -0.02 0.00 0.00 41.12 38.90 3hpj n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hpj n GLY 120 N -1.65 0.68 3.40 0.44 0.00 -1.26 -5.02 105.19 101.77 3hpj n GLY 120 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3hpj n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hpj s LYS 121 N -0.02 2.69 -0.26 1.61 2.20 -0.78 -5.08 119.74 120.10 3hpj s LYS 121 Ca 0.00 -0.75 -0.43 0.00 -0.36 0.00 0.00 55.97 54.43 3hpj s LYS 121 Cb 0.00 -2.37 -0.20 0.00 -1.51 0.00 0.00 37.83 33.75 3hpj s LYS 121 CO 0.00 0.47 1.33 -0.25 -0.36 0.00 0.00 175.35 176.54 3hpj n ASP 122 N 2.74 0.62 -0.01 1.43 10.43 -1.26 -1.13 116.55 129.37 3hpj n ASP 122 Ca -0.17 1.16 -0.03 0.00 2.57 0.00 0.00 54.79 58.32 3hpj n ASP 122 Cb 0.52 -0.89 -0.01 0.00 1.84 0.00 0.00 41.12 42.59 3hpj n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hpj n TYR 123 N 2.77 0.00 -3.80 1.24 9.36 0.04 -4.74 117.16 122.04 3hpj n TYR 123 Ca 0.25 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.35 3hpj n TYR 123 Cb 0.01 -0.15 -0.12 0.00 -0.63 0.00 0.00 39.34 38.45 3hpj n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 3hpj s ILE 124 N -1.95 0.01 -0.05 2.97 2.07 -1.07 -2.26 121.20 120.92 3hpj s ILE 124 Ca -0.09 -0.06 -0.04 0.00 -1.41 0.00 0.00 60.65 59.06 3hpj s ILE 124 Cb 0.01 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.28 3hpj s ILE 124 CO 0.13 -0.03 0.12 0.00 -1.91 0.00 0.00 174.94 173.25 3hpj s ALA 125 N -0.02 -0.26 0.13 1.50 0.00 -0.71 -0.29 121.76 122.09 3hpj s ALA 125 Ca -0.01 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 3hpj s ALA 125 Cb -0.02 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.78 3hpj s ALA 125 CO 0.01 -0.08 1.20 -1.17 0.00 0.00 0.00 175.76 175.72 3hpj s LEU 126 N 0.37 4.41 0.85 0.00 2.96 0.10 -0.73 118.68 126.64 3hpj s LEU 126 Ca -0.03 2.13 -0.12 0.00 -0.22 0.00 0.00 54.13 55.90 3hpj s LEU 126 Cb -0.04 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.16 3hpj s LEU 126 CO -0.01 -0.42 1.13 -0.54 -1.32 0.00 0.00 176.35 175.19 3hpj s LYS 127 N 0.40 1.67 0.39 1.98 1.02 -0.15 -4.59 119.74 120.45 3hpj s LYS 127 Ca 0.56 0.37 0.09 0.00 0.02 0.00 0.00 55.97 57.01 3hpj s LYS 127 Cb -0.31 -1.89 0.85 0.00 -0.52 0.00 0.00 37.83 35.96 3hpj s LYS 127 CO 0.33 -1.85 1.98 0.93 -0.92 0.00 0.00 175.35 175.81 3hpj h GLU 128 N -1.25 0.60 0.00 1.68 5.08 -1.89 -1.30 114.58 117.50 3hpj h GLU 128 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3hpj h GLU 128 Cb 1.31 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hpj h GLU 128 CO 0.62 0.39 0.00 -0.40 -1.00 0.00 0.00 179.01 178.62 3hpj n ASP 129 N -4.48 0.52 -2.46 1.42 5.68 -1.26 -4.78 116.55 111.19 3hpj n ASP 129 Ca 0.10 0.66 -0.21 0.00 -0.50 0.00 0.00 54.79 54.84 3hpj n ASP 129 Cb 0.26 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 3hpj n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3hpj n LEU 130 N -2.11 -2.10 0.00 -2.12 4.77 -0.49 -4.84 117.00 110.11 3hpj n LEU 130 Ca 0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3hpj n LEU 130 Cb 0.16 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.36 3hpj n LEU 130 CO 0.15 -0.11 -0.26 0.54 -1.33 0.00 0.00 177.39 176.38 3hpj n ARG 131 N -3.18 2.74 -4.27 3.23 1.74 -1.26 -4.58 116.66 111.08 3hpj n ARG 131 Ca -0.21 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.72 3hpj n ARG 131 Cb 0.67 -0.75 -0.10 0.00 -1.02 0.00 0.00 32.46 31.26 3hpj n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hpj s SER 132 N -1.08 1.28 0.00 0.55 1.04 -1.26 -4.93 113.70 109.30 3hpj s SER 132 Ca 0.00 -1.22 0.07 0.00 0.48 0.00 0.00 55.95 55.28 3hpj s SER 132 Cb 0.00 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 3hpj s SER 132 CO 0.00 -0.59 -0.23 0.26 0.98 0.00 0.00 173.24 173.66 3hpj s TRP 133 N -3.65 2.43 -0.26 5.02 0.52 -1.26 -0.98 118.94 120.76 3hpj s TRP 133 Ca 0.27 -0.36 -0.10 0.00 0.02 0.00 0.00 56.10 55.94 3hpj s TRP 133 Cb 0.06 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 3hpj s TRP 133 CO 0.06 0.09 0.14 0.99 0.02 0.00 0.00 176.95 178.26 3hpj s THR 134 N -0.73 5.04 -0.16 2.01 2.01 0.09 -4.90 115.64 118.99 3hpj s THR 134 Ca 0.11 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 3hpj s THR 134 Cb -0.10 -3.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 3hpj s THR 134 CO 0.01 0.31 -0.10 0.00 -0.69 0.00 0.00 174.62 174.15 3hpj s ALA 135 N 1.46 2.68 -0.61 7.40 0.00 -1.26 -1.74 121.76 129.69 3hpj s ALA 135 Ca 0.07 -1.00 0.26 0.00 0.00 0.00 0.00 51.96 51.28 3hpj s ALA 135 Cb -0.15 -1.39 0.84 0.00 0.00 0.00 0.00 23.12 22.43 3hpj s ALA 135 CO 0.07 -0.01 1.76 0.00 0.00 0.00 0.00 175.76 177.57 3hpj h ALA 136 N 7.24 1.00 -2.13 0.00 0.00 -1.74 -3.45 119.26 120.18 3hpj h ALA 136 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hpj h ALA 136 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hpj h ALA 136 CO 0.58 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.43 3hpj n ASP 137 N -2.35 0.00 -0.15 0.00 5.68 -1.26 -5.02 116.55 113.44 3hpj n ASP 137 Ca 0.04 -0.59 -0.09 0.00 -0.50 0.00 0.00 54.79 53.66 3hpj n ASP 137 Cb 0.38 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 3hpj n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 3hpj h MET 138 N 0.00 0.69 -0.48 0.11 2.86 -1.99 -1.08 114.93 115.03 3hpj h MET 138 Ca 0.00 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3hpj h MET 138 Cb 0.00 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3hpj h MET 138 CO 0.00 0.65 0.12 0.00 1.06 0.00 0.00 176.91 178.74 3hpj h ALA 139 N 1.00 0.64 -0.29 6.32 0.00 -1.97 -2.16 119.26 122.79 3hpj h ALA 139 Ca 0.15 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3hpj h ALA 139 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hpj h ALA 139 CO -0.01 0.33 -0.20 0.00 0.00 0.00 0.00 179.25 179.37 3hpj h ALA 140 N 0.99 1.12 -0.11 0.00 0.00 -1.83 -2.44 119.26 116.97 3hpj h ALA 140 Ca 0.15 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hpj h ALA 140 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hpj h ALA 140 CO 0.00 0.55 -0.13 1.96 0.00 0.00 0.00 179.25 181.63 3hpj h GLN 141 N 0.48 0.18 -0.56 0.00 4.20 -0.81 0.11 115.11 118.71 3hpj h GLN 141 Ca 0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3hpj h GLN 141 Cb 0.61 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 3hpj h GLN 141 CO 0.04 0.32 0.33 1.15 -0.67 0.00 0.00 178.83 180.00 3hpj h THR 142 N 0.17 1.17 -0.20 -0.54 2.02 -0.94 -1.46 112.91 113.14 3hpj h THR 142 Ca 0.04 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 3hpj h THR 142 Cb 0.35 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3hpj h THR 142 CO 0.02 0.18 -0.02 0.74 0.37 0.00 0.00 175.52 176.81 3hpj h THR 143 N 0.76 1.27 -0.69 3.16 2.02 -1.03 -2.86 112.91 115.54 3hpj h THR 143 Ca 0.20 -0.95 0.15 0.00 0.77 0.00 0.00 66.41 66.58 3hpj h THR 143 Cb 0.00 1.51 -0.11 0.00 -1.74 0.00 0.00 68.15 67.81 3hpj h THR 143 CO -0.04 0.29 0.09 0.50 0.37 0.00 0.00 175.52 176.73 3hpj h LYS 144 N 0.10 0.18 -0.93 6.66 3.64 -0.67 -1.52 116.57 124.02 3hpj h LYS 144 Ca 0.05 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3hpj h LYS 144 Cb 0.44 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.18 3hpj h LYS 144 CO 0.01 0.12 0.57 0.45 -2.27 0.00 0.00 179.45 178.34 3hpj h HIS 145 N 0.19 1.22 -0.63 1.91 3.86 -1.15 -0.39 115.15 120.17 3hpj h HIS 145 Ca 0.38 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.61 3hpj h HIS 145 Cb 0.64 -0.40 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 3hpj h HIS 145 CO -0.32 0.81 0.39 0.87 0.86 0.00 0.00 177.93 180.54 3hpj h LYS 146 N 1.28 0.75 0.00 2.45 1.57 -1.10 -2.34 116.57 119.19 3hpj h LYS 146 Ca 0.34 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.93 3hpj h LYS 146 Cb -0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3hpj h LYS 146 CO -0.06 0.50 -0.66 -1.49 -0.57 0.00 0.00 179.45 177.17 3hpj h TRP 147 N 0.77 0.00 -0.20 -1.35 4.06 -0.67 -1.27 115.95 117.29 3hpj h TRP 147 Ca 0.25 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 61.02 3hpj h TRP 147 Cb 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.17 3hpj h TRP 147 CO -0.05 0.66 -0.57 0.93 -3.56 0.00 0.00 178.44 175.85 3hpj h GLU 148 N 0.00 0.74 -0.09 0.49 5.08 -0.99 0.25 114.58 120.07 3hpj h GLU 148 Ca -0.01 -0.53 -0.12 0.00 -1.00 0.00 0.00 59.36 57.70 3hpj h GLU 148 Cb 1.23 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3hpj h GLU 148 CO 0.09 1.15 -0.50 0.00 -1.00 0.00 0.00 179.01 178.74 3hpj h ALA 149 N 0.60 0.99 -0.07 3.43 0.00 -1.19 -2.85 119.26 120.16 3hpj h ALA 149 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hpj h ALA 149 Cb 1.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hpj h ALA 149 CO 0.12 0.66 0.00 0.00 0.00 0.00 0.00 179.25 180.03 3hpj n ALA 150 N -2.47 2.57 -3.76 0.00 0.00 -0.50 -4.95 120.51 111.40 3hpj n ALA 150 Ca -0.02 -0.40 -0.26 0.00 0.00 0.00 0.00 53.44 52.76 3hpj n ALA 150 Cb 0.54 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.84 3hpj n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hpj n HIS 151 N -0.04 -2.33 -0.20 0.00 -0.00 -0.79 -4.92 115.22 106.94 3hpj n HIS 151 Ca 0.18 0.92 -0.09 0.00 -0.00 0.00 0.00 57.72 58.73 3hpj n HIS 151 Cb 0.28 -4.40 0.02 0.00 -0.00 0.00 0.00 29.99 25.89 3hpj n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3hpj h VAL 152 N -2.16 1.26 -1.00 1.59 2.07 -1.25 -2.86 116.25 113.90 3hpj h VAL 152 Ca -0.59 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.01 3hpj h VAL 152 Cb 1.37 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 3hpj h VAL 152 CO 0.61 0.36 0.65 0.00 0.02 0.00 0.00 177.57 179.20 3hpj h ALA 153 N 1.00 1.39 -0.75 1.67 0.00 -1.91 -1.08 119.26 119.59 3hpj h ALA 153 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3hpj h ALA 153 Cb 0.42 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hpj h ALA 153 CO 0.01 0.49 0.23 0.93 0.00 0.00 0.00 179.25 180.91 3hpj h GLU 154 N 1.21 1.16 -0.30 0.00 3.07 -1.76 0.41 114.58 118.36 3hpj h GLU 154 Ca 0.41 -0.25 -0.09 0.00 -0.50 0.00 0.00 59.36 58.94 3hpj h GLU 154 Cb 0.10 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 3hpj h GLU 154 CO -0.15 0.98 -0.15 1.96 -1.40 0.00 0.00 179.01 180.25 3hpj h GLN 155 N 1.11 0.64 -0.64 2.33 4.20 -1.29 -2.69 115.11 118.77 3hpj h GLN 155 Ca 0.24 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3hpj h GLN 155 Cb 0.31 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3hpj h GLN 155 CO -0.01 0.87 0.32 -0.07 -0.67 0.00 0.00 178.83 179.27 3hpj h LEU 156 N 0.39 0.82 -0.21 1.46 -0.00 -1.03 -2.23 115.31 114.52 3hpj h LEU 156 Ca 0.07 -0.12 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 3hpj h LEU 156 Cb 0.68 -0.21 -0.02 0.00 -0.00 0.00 0.00 40.66 41.11 3hpj h LEU 156 CO 0.05 0.71 0.09 -0.09 -0.00 0.00 0.00 178.44 179.20 3hpj h ARG 157 N 0.88 0.20 -0.85 1.13 2.43 -0.87 0.33 114.38 117.62 3hpj h ARG 157 Ca 0.22 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3hpj h ARG 157 Cb 0.09 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 3hpj h ARG 157 CO -0.03 0.13 0.56 0.00 -1.51 0.00 0.00 179.97 179.12 3hpj h ALA 158 N 1.11 1.46 -0.00 2.80 0.00 -1.42 -0.35 119.26 122.85 3hpj h ALA 158 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hpj h ALA 158 Cb 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hpj h ALA 158 CO -0.07 0.47 -0.01 -0.92 0.00 0.00 0.00 179.25 178.73 3hpj h TYR 159 N 1.08 0.01 -0.79 0.00 3.20 -0.86 -2.18 116.97 117.43 3hpj h TYR 159 Ca 0.33 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.24 3hpj h TYR 159 Cb -0.01 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 3hpj h TYR 159 CO -0.00 0.51 0.52 -0.07 -1.64 0.00 0.00 178.16 177.49 3hpj h LEU 160 N -0.49 0.83 0.00 2.82 3.38 -0.10 -1.27 115.31 120.48 3hpj h LEU 160 Ca 0.00 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3hpj h LEU 160 Cb 0.51 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hpj h LEU 160 CO 0.00 0.56 -1.21 -0.33 0.09 0.00 0.00 178.44 177.56 3hpj h GLU 161 N 0.96 0.00 0.00 1.13 5.08 -1.18 -3.36 114.58 117.21 3hpj h GLU 161 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3hpj h GLU 161 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hpj h GLU 161 CO -0.10 0.21 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 3hpj n GLY 162 N 1.32 0.11 0.34 -3.84 0.00 -0.82 -4.67 105.19 97.63 3hpj n GLY 162 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.10 3hpj n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hpj h THR 163 N 0.00 0.05 0.07 2.61 2.02 -1.66 -0.86 112.91 115.13 3hpj h THR 163 Ca 0.00 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 3hpj h THR 163 Cb 0.00 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 3hpj h THR 163 CO 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 3hpj h VAL 165 N -0.10 1.23 -0.43 0.00 2.07 -1.36 -0.12 116.25 117.53 3hpj h VAL 165 Ca -0.01 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3hpj h VAL 165 Cb 0.09 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3hpj h VAL 165 CO 0.01 0.27 0.16 -0.33 0.02 0.00 0.00 177.57 177.70 3hpj h GLU 166 N 0.86 0.66 -0.22 1.57 5.08 -0.96 -1.61 114.58 119.96 3hpj h GLU 166 Ca 0.21 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 3hpj h GLU 166 Cb 0.18 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3hpj h GLU 166 CO -0.02 0.62 -0.50 -1.49 -1.00 0.00 0.00 179.01 176.62 3hpj h TRP 167 N 0.55 0.74 -0.19 4.33 4.06 -0.87 -1.77 115.95 122.80 3hpj h TRP 167 Ca 0.14 -0.25 -0.00 0.00 2.06 0.00 0.00 58.89 60.84 3hpj h TRP 167 Cb 0.22 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3hpj h TRP 167 CO 0.01 0.98 0.11 1.25 -3.56 0.00 0.00 178.44 177.22 3hpj h LEU 168 N 0.47 0.24 -0.57 -4.49 5.85 -0.95 0.16 115.31 116.02 3hpj h LEU 168 Ca 0.02 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.76 3hpj h LEU 168 Cb 1.04 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 3hpj h LEU 168 CO 0.10 0.25 0.16 0.03 -0.34 0.00 0.00 178.44 178.63 3hpj h ARG 169 N 0.21 0.29 -0.71 1.25 3.08 -1.26 -0.37 114.38 116.87 3hpj h ARG 169 Ca 0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3hpj h ARG 169 Cb 0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 3hpj h ARG 169 CO -0.01 0.20 0.36 -0.09 -1.07 0.00 0.00 179.97 179.35 3hpj h ARG 170 N 0.30 1.01 -0.61 0.04 2.43 -0.75 -2.24 114.38 114.55 3hpj h ARG 170 Ca 0.29 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3hpj h ARG 170 Cb 0.40 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3hpj h ARG 170 CO -0.35 0.78 0.20 1.88 -1.51 0.00 0.00 179.97 180.98 3hpj h TYR 171 N 0.99 0.98 -0.88 2.20 0.05 -0.49 -0.37 116.97 119.44 3hpj h TYR 171 Ca 0.25 -0.09 0.07 0.00 0.05 0.00 0.00 58.73 59.00 3hpj h TYR 171 Cb 0.09 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 37.49 3hpj h TYR 171 CO 0.00 0.80 0.57 -0.07 -1.05 0.00 0.00 178.16 178.42 3hpj h LEU 172 N 0.87 0.86 0.01 3.88 3.38 -0.94 0.76 115.31 124.13 3hpj h LEU 172 Ca 0.20 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 3hpj h LEU 172 Cb 0.27 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hpj h LEU 172 CO -0.01 0.54 -0.24 -0.33 0.09 0.00 0.00 178.44 178.50 3hpj h GLU 173 N 0.97 0.14 -0.17 1.13 5.08 -0.93 -2.31 114.58 118.49 3hpj h GLU 173 Ca 0.39 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 3hpj h GLU 173 Cb 0.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hpj h GLU 173 CO -0.15 0.95 -0.41 -0.91 -1.00 0.00 0.00 179.01 177.49 3hpj h ASN 174 N -0.60 0.42 -0.84 1.42 2.35 -0.96 -2.99 115.58 114.38 3hpj h ASN 174 Ca -0.03 -0.18 -0.34 0.00 -0.55 0.00 0.00 56.30 55.19 3hpj h ASN 174 Cb 1.04 -0.12 -0.20 0.00 0.05 0.00 0.00 38.32 39.09 3hpj h ASN 174 CO 0.05 0.79 0.42 0.61 -1.65 0.00 0.00 177.43 177.64 3hpj n GLY 175 N -0.09 4.05 0.35 2.83 0.00 0.26 -4.80 105.19 107.79 3hpj n GLY 175 Ca -0.02 -1.05 0.13 0.00 0.00 0.00 0.00 46.02 45.09 3hpj n GLY 175 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hpj n LYS 176 N -0.60 -0.08 0.14 1.61 4.81 -0.87 0.07 118.16 123.24 3hpj n LYS 176 Ca 0.49 1.51 0.01 0.00 -0.87 0.00 0.00 58.31 59.45 3hpj n LYS 176 Cb 1.50 -2.37 0.35 0.00 0.02 0.00 0.00 35.03 34.53 3hpj n LYS 176 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3hpj h GLU 177 N 0.00 0.16 0.01 1.64 4.81 -1.88 -0.88 114.58 118.44 3hpj h GLU 177 Ca 0.58 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.55 3hpj h GLU 177 Cb 1.15 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3hpj h GLU 177 CO -0.96 0.42 -1.13 1.15 -0.73 0.00 0.00 179.01 177.77 3hpj h THR 178 N 0.14 1.02 0.00 0.32 2.02 -1.65 -3.40 112.91 111.36 3hpj h THR 178 Ca 0.02 -2.22 -0.17 0.00 0.77 0.00 0.00 66.41 64.81 3hpj h THR 178 Cb 0.56 2.40 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 3hpj h THR 178 CO 0.04 0.39 -1.43 0.18 0.37 0.00 0.00 175.52 175.07 3hpj n LEU 179 N -4.40 0.85 -1.58 2.58 4.77 0.11 -3.71 117.00 115.62 3hpj n LEU 179 Ca -0.29 0.37 0.10 0.00 -0.03 0.00 0.00 56.01 56.16 3hpj n LEU 179 Cb 0.68 0.08 0.36 0.00 -2.33 0.00 0.00 43.42 42.20 3hpj n LEU 179 CO 0.23 0.15 0.81 0.00 -1.33 0.00 0.00 177.39 177.25 3hpj n GLN 180 N -2.89 3.62 -3.11 3.23 6.02 -0.34 -4.95 117.38 118.96 3hpj n GLN 180 Ca -0.10 -2.84 -0.31 0.00 -0.01 0.00 0.00 57.00 53.74 3hpj n GLN 180 Cb 0.85 -1.87 -0.04 0.00 1.02 0.00 0.00 30.24 30.20 3hpj n GLN 180 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 3hpj s ARG 181 N -1.76 3.80 -0.15 -1.09 1.70 -1.24 -5.02 118.95 115.18 3hpj s ARG 181 Ca 0.51 0.38 -0.00 0.00 -0.47 0.00 0.00 55.73 56.15 3hpj s ARG 181 Cb 0.32 -2.50 0.03 0.00 -0.57 0.00 0.00 34.95 32.24 3hpj s ARG 181 CO 0.26 0.12 -0.08 0.95 -1.08 0.00 0.00 175.30 175.47 3hpj s THR 182 N -2.13 1.21 -0.37 4.99 -4.23 -1.26 -4.64 115.64 109.21 3hpj s THR 182 Ca 0.50 -0.56 -0.13 0.00 -1.18 0.00 0.00 61.69 60.31 3hpj s THR 182 Cb -0.11 -1.28 0.00 0.00 1.34 0.00 0.00 72.50 72.45 3hpj s THR 182 CO 0.26 0.26 0.25 -1.81 -0.54 0.00 0.00 174.62 173.05 3hpj s ASP 183 N 1.61 6.02 0.42 3.99 1.01 -0.22 -4.87 116.67 124.62 3hpj s ASP 183 Ca 0.03 -0.65 -0.26 0.00 0.71 0.00 0.00 52.55 52.37 3hpj s ASP 183 Cb -0.14 -2.13 -0.09 0.00 1.01 0.00 0.00 42.92 41.57 3hpj s ASP 183 CO -0.08 -0.32 1.35 0.00 0.21 0.00 0.00 175.17 176.32 3hpj s ALA 184 N 1.69 3.27 0.38 5.23 0.00 -1.26 -1.69 121.76 129.37 3hpj s ALA 184 Ca 0.05 1.31 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 3hpj s ALA 184 Cb -0.18 -3.52 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 3hpj s ALA 184 CO 0.10 -0.94 1.47 -0.35 0.00 0.00 0.00 175.76 176.04 3hpj n PRO 185 N 0.05 2.61 -3.10 0.00 -0.04 -1.26 -4.54 135.00 128.73 3hpj n PRO 185 Ca 0.04 0.92 -0.40 0.00 -0.04 0.00 0.00 63.50 64.02 3hpj n PRO 185 Cb 0.43 -2.65 -0.05 0.00 -0.04 0.00 0.00 33.50 31.19 3hpj n PRO 185 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3hpj s LYS 186 N -2.12 4.29 0.16 0.54 1.02 0.89 -4.83 119.74 119.70 3hpj s LYS 186 Ca 0.54 0.70 0.09 0.00 0.02 0.00 0.00 55.97 57.32 3hpj s LYS 186 Cb -0.48 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 3hpj s LYS 186 CO 0.63 -0.12 -0.14 0.95 -0.92 0.00 0.00 175.35 175.75 3hpj s THR 187 N 1.50 2.99 0.30 2.17 -4.23 -1.26 -0.63 115.64 116.48 3hpj s THR 187 Ca 0.31 -1.67 -0.20 0.00 -1.18 0.00 0.00 61.69 58.96 3hpj s THR 187 Cb -0.16 -2.44 0.03 0.00 1.34 0.00 0.00 72.50 71.27 3hpj s THR 187 CO 0.12 -0.05 0.76 -1.38 -0.54 0.00 0.00 174.62 173.53 3hpj s HIS 188 N -1.55 -0.10 -0.00 3.99 -3.43 -1.11 -5.01 115.29 108.08 3hpj s HIS 188 Ca 0.22 -0.42 0.04 0.00 -0.80 0.00 0.00 55.06 54.11 3hpj s HIS 188 Cb -0.09 0.74 -0.01 0.00 -1.43 0.00 0.00 32.58 31.79 3hpj s HIS 188 CO 0.13 -1.31 -0.14 1.41 -2.00 0.00 0.00 174.74 172.83 3hpj s MET 189 N -3.41 1.12 0.26 -0.38 1.75 -1.26 -0.56 119.30 116.83 3hpj s MET 189 Ca 0.12 -0.54 0.09 0.00 -1.25 0.00 0.00 55.69 54.12 3hpj s MET 189 Cb -0.05 -1.09 -0.04 0.00 2.84 0.00 0.00 34.83 36.48 3hpj s MET 189 CO 0.08 0.30 0.00 0.95 -0.65 0.00 0.00 175.02 175.70 3hpj s THR 190 N -0.40 3.49 -0.04 10.11 -4.23 -0.29 -4.97 115.64 119.31 3hpj s THR 190 Ca 0.05 -1.89 -0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3hpj s THR 190 Cb -0.06 -2.86 0.03 0.00 1.34 0.00 0.00 72.50 70.95 3hpj s THR 190 CO -0.00 -0.37 0.01 -2.28 -0.54 0.00 0.00 174.62 171.44 3hpj s HIS 191 N -2.30 0.40 -0.02 3.99 2.46 -1.26 -1.31 115.29 117.25 3hpj s HIS 191 Ca 0.31 -0.01 0.01 0.00 0.47 0.00 0.00 55.06 55.84 3hpj s HIS 191 Cb -0.07 -0.55 0.02 0.00 -0.13 0.00 0.00 32.58 31.85 3hpj s HIS 191 CO 0.20 -0.20 -0.02 -1.58 -2.47 0.00 0.00 174.74 170.67 3hpj s HIS 192 N 1.48 0.37 0.03 3.88 5.04 -0.68 -4.99 115.29 120.42 3hpj s HIS 192 Ca -0.03 -0.05 -0.30 0.00 -1.54 0.00 0.00 55.06 53.14 3hpj s HIS 192 Cb -0.13 -0.37 -0.04 0.00 0.04 0.00 0.00 32.58 32.08 3hpj s HIS 192 CO -0.03 -0.09 1.04 0.00 -2.34 0.00 0.00 174.74 173.32 3hpj s ALA 193 N 0.61 3.23 -0.12 1.58 0.00 -1.26 0.02 121.76 125.82 3hpj s ALA 193 Ca -0.06 0.63 0.20 0.00 0.00 0.00 0.00 51.96 52.73 3hpj s ALA 193 Cb -0.10 -3.37 -0.22 0.00 0.00 0.00 0.00 23.12 19.43 3hpj s ALA 193 CO -0.01 -0.28 0.55 1.33 0.00 0.00 0.00 175.76 177.35 3hpj n VAL 194 N 3.82 0.69 -3.19 0.00 0.24 -0.16 -4.89 118.33 114.84 3hpj n VAL 194 Ca 0.07 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 3hpj n VAL 194 Cb 0.49 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 3hpj n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hpj n SER 195 N -2.58 0.00 0.00 -1.34 3.41 -1.06 -4.98 113.62 107.07 3hpj n SER 195 Ca -0.11 -0.80 0.13 0.00 -0.26 0.00 0.00 58.87 57.82 3hpj n SER 195 Cb 0.77 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 65.33 3hpj n SER 195 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hpj n ASP 196 N -1.42 0.00 -0.07 4.04 5.75 -1.26 -4.00 116.55 119.59 3hpj n ASP 196 Ca 0.00 0.30 0.01 0.00 -0.01 0.00 0.00 54.79 55.09 3hpj n ASP 196 Cb 0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 3hpj n ASP 196 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hpj n HIS 197 N -1.43 0.00 -3.87 2.11 1.44 -1.26 -4.88 115.22 107.33 3hpj n HIS 197 Ca 0.09 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.69 3hpj n HIS 197 Cb 0.28 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.30 3hpj n HIS 197 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hpj s GLU 198 N -0.38 0.60 0.03 -1.40 2.02 -1.26 -1.72 118.70 116.59 3hpj s GLU 198 Ca 0.02 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.45 3hpj s GLU 198 Cb 0.02 0.25 -0.02 0.00 0.10 0.00 0.00 34.13 34.47 3hpj s GLU 198 CO 0.04 -0.16 -0.04 0.00 0.02 0.00 0.00 175.26 175.12 3hpj s ALA 199 N -2.14 0.27 -0.27 5.21 0.00 -0.15 -0.99 121.76 123.70 3hpj s ALA 199 Ca -0.09 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 50.97 3hpj s ALA 199 Cb -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3hpj s ALA 199 CO -0.02 -0.19 0.40 0.99 0.00 0.00 0.00 175.76 176.95 3hpj s THR 200 N -1.97 5.15 -0.27 0.00 2.01 0.10 -0.07 115.64 120.60 3hpj s THR 200 Ca -0.10 0.64 -0.13 0.00 0.31 0.00 0.00 61.69 62.40 3hpj s THR 200 Cb -0.06 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3hpj s THR 200 CO -0.03 0.14 0.29 -0.76 -0.69 0.00 0.00 174.62 173.57 3hpj s LEU 201 N 2.12 4.05 -0.17 4.42 1.43 -0.18 -1.68 118.68 128.66 3hpj s LEU 201 Ca 0.16 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3hpj s LEU 201 Cb -0.16 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 3hpj s LEU 201 CO 0.10 -0.10 -0.10 -0.60 0.23 0.00 0.00 176.35 175.87 3hpj s ARG 202 N 1.81 3.34 -0.22 1.70 3.52 -0.42 -1.23 118.95 127.45 3hpj s ARG 202 Ca 0.12 -0.67 -0.08 0.00 -0.13 0.00 0.00 55.73 54.96 3hpj s ARG 202 Cb -0.16 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.41 3hpj s ARG 202 CO 0.10 -0.01 0.10 0.00 -0.81 0.00 0.00 175.30 174.68 3hpj s TRP 204 N 0.91 2.86 -0.16 0.00 0.52 0.28 -1.59 118.94 121.76 3hpj s TRP 204 Ca 0.05 -0.04 0.00 0.00 0.02 0.00 0.00 56.10 56.13 3hpj s TRP 204 Cb -0.14 -1.67 0.03 0.00 -1.15 0.00 0.00 33.47 30.54 3hpj s TRP 204 CO 0.03 0.30 -0.09 0.00 0.02 0.00 0.00 176.95 177.20 3hpj s ALA 205 N -0.81 1.68 0.18 0.98 0.00 0.27 -2.76 121.76 121.30 3hpj s ALA 205 Ca 0.13 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.29 3hpj s ALA 205 Cb -0.11 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3hpj s ALA 205 CO 0.02 -0.61 -0.18 -0.51 0.00 0.00 0.00 175.76 174.49 3hpj s LEU 206 N 1.55 2.48 -1.44 0.00 1.43 0.20 -1.11 118.68 121.79 3hpj s LEU 206 Ca 0.02 -0.91 -0.09 0.00 -1.03 0.00 0.00 54.13 52.12 3hpj s LEU 206 Cb -0.14 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.28 3hpj s LEU 206 CO -0.09 -0.05 0.99 -0.24 0.23 0.00 0.00 176.35 177.19 3hpj n SER 207 N 0.07 -6.02 -4.78 2.29 2.88 -0.85 -0.08 113.62 107.13 3hpj n SER 207 Ca -0.11 -0.51 -0.26 0.00 -1.33 0.00 0.00 58.87 56.66 3hpj n SER 207 Cb 0.58 -4.78 -0.06 0.00 -0.75 0.00 0.00 64.21 59.21 3hpj n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3hpj s PHE 208 N -3.27 3.10 -0.21 0.66 -0.12 -1.03 -4.62 117.98 112.48 3hpj s PHE 208 Ca 0.52 -0.05 -0.14 0.00 -0.05 0.00 0.00 56.93 57.22 3hpj s PHE 208 Cb -0.24 -1.47 0.06 0.00 -0.63 0.00 0.00 43.02 40.74 3hpj s PHE 208 CO 0.65 0.52 0.53 -0.47 -0.05 0.00 0.00 175.22 176.40 3hpj s TYR 209 N -1.82 -0.73 1.14 3.49 5.04 -0.69 -0.55 117.35 123.24 3hpj s TYR 209 Ca 0.31 1.57 -0.19 0.00 -2.44 0.00 0.00 57.07 56.32 3hpj s TYR 209 Cb -0.10 0.35 0.27 0.00 0.35 0.00 0.00 41.96 42.84 3hpj s TYR 209 CO 0.23 -0.38 1.21 -2.14 -1.34 0.00 0.00 175.55 173.13 3hpj s PRO 210 N 1.14 -0.72 0.36 4.97 0.02 -1.26 -1.06 135.00 138.45 3hpj s PRO 210 Ca -0.07 -0.32 0.11 0.00 0.02 0.00 0.00 61.00 60.75 3hpj s PRO 210 Cb -0.06 -1.68 0.70 0.00 0.02 0.00 0.00 34.50 33.48 3hpj s PRO 210 CO -0.11 -3.34 1.83 0.00 -0.33 0.00 0.00 177.00 175.05 3hpj h ALA 211 N -2.31 1.37 -1.92 -1.55 0.00 -1.96 -3.44 119.26 109.45 3hpj h ALA 211 Ca -0.43 -0.32 -0.65 0.00 0.00 0.00 0.00 54.91 53.51 3hpj h ALA 211 Cb 1.26 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.01 3hpj h ALA 211 CO 0.31 0.46 0.89 -1.91 0.00 0.00 0.00 179.25 179.00 3hpj n GLU 212 N -4.12 1.78 -3.57 0.00 4.07 -1.26 -4.98 120.64 112.56 3hpj n GLU 212 Ca -0.02 0.65 -0.14 0.00 -0.06 0.00 0.00 57.16 57.59 3hpj n GLU 212 Cb 0.39 -2.41 -0.06 0.00 -0.06 0.00 0.00 31.44 29.30 3hpj n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 3hpj s ILE 213 N 2.71 0.00 -0.15 6.31 2.07 -1.26 -4.66 121.20 126.21 3hpj s ILE 213 Ca 0.90 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.15 3hpj s ILE 213 Cb -0.82 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 40.78 3hpj s ILE 213 CO 0.51 0.00 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.46 3hpj s THR 214 N -0.62 2.36 -0.19 4.00 2.01 -0.56 -5.00 115.64 117.64 3hpj s THR 214 Ca -0.04 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3hpj s THR 214 Cb -0.02 -1.97 0.04 0.00 0.01 0.00 0.00 72.50 70.56 3hpj s THR 214 CO 0.04 0.53 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.20 3hpj s LEU 215 N 0.82 2.08 0.05 4.42 2.96 -1.26 -0.68 118.68 127.07 3hpj s LEU 215 Ca -0.06 -0.84 0.02 0.00 -0.22 0.00 0.00 54.13 53.03 3hpj s LEU 215 Cb -0.15 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.39 3hpj s LEU 215 CO -0.01 -0.17 -0.08 0.42 -1.32 0.00 0.00 176.35 175.19 3hpj s THR 216 N 1.48 0.57 -0.00 3.68 -4.23 -0.67 -4.91 115.64 111.55 3hpj s THR 216 Ca -0.01 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.35 3hpj s THR 216 Cb -0.16 -0.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.94 3hpj s THR 216 CO -0.08 -0.41 0.06 0.26 -0.54 0.00 0.00 174.62 173.91 3hpj s TRP 217 N -1.54 3.24 0.09 3.99 0.52 -1.26 -0.39 118.94 123.59 3hpj s TRP 217 Ca -0.08 0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.29 3hpj s TRP 217 Cb -0.09 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.48 3hpj s TRP 217 CO 0.00 0.53 -0.19 -0.65 0.02 0.00 0.00 176.95 176.67 3hpj s GLN 218 N -1.71 1.03 -0.17 4.98 -0.21 0.61 -1.81 119.66 122.40 3hpj s GLN 218 Ca 0.22 -1.11 0.01 0.00 0.02 0.00 0.00 55.36 54.50 3hpj s GLN 218 Cb -0.12 -1.21 0.02 0.00 1.00 0.00 0.00 33.01 32.71 3hpj s GLN 218 CO 0.13 0.28 -0.18 0.50 -2.12 0.00 0.00 175.29 173.89 3hpj s ARG 219 N -1.90 2.77 -1.69 2.91 3.52 0.39 -0.80 118.95 124.15 3hpj s ARG 219 Ca 0.04 -0.74 -0.18 0.00 -0.13 0.00 0.00 55.73 54.72 3hpj s ARG 219 Cb -0.10 -2.41 0.15 0.00 -1.56 0.00 0.00 34.95 31.04 3hpj s ARG 219 CO 0.04 -0.20 0.80 -0.25 -0.81 0.00 0.00 175.30 174.87 3hpj n ASP 220 N 4.62 -3.39 0.00 -2.12 8.00 -0.39 -1.07 116.55 122.20 3hpj n ASP 220 Ca -0.20 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3hpj n ASP 220 Cb 0.50 -2.86 0.00 0.00 -0.02 0.00 0.00 41.12 38.74 3hpj n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hpj n GLY 221 N -1.43 0.62 3.75 0.44 0.00 -1.26 -5.03 105.19 102.26 3hpj n GLY 221 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3hpj n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hpj s GLU 222 N -0.26 3.99 0.39 1.61 2.02 -0.23 -5.02 118.70 121.19 3hpj s GLU 222 Ca 0.00 -0.22 -0.26 0.00 0.02 0.00 0.00 54.97 54.50 3hpj s GLU 222 Cb 0.00 -3.33 -0.09 0.00 0.10 0.00 0.00 34.13 30.81 3hpj s GLU 222 CO 0.00 0.40 1.29 -0.51 0.02 0.00 0.00 175.26 176.46 3hpj s ASP 223 N 0.06 6.42 -0.37 -0.19 1.11 -1.26 -0.47 116.67 121.97 3hpj s ASP 223 Ca 0.09 2.63 0.06 0.00 0.18 0.00 0.00 52.55 55.51 3hpj s ASP 223 Cb -0.11 -2.64 0.48 0.00 1.07 0.00 0.00 42.92 41.72 3hpj s ASP 223 CO -0.00 -0.77 1.48 0.00 1.18 0.00 0.00 175.17 177.06 3hpj n GLN 224 N 0.25 2.62 0.01 8.23 1.13 -0.75 -4.84 117.38 124.04 3hpj n GLN 224 Ca 0.03 -3.56 0.00 0.00 -1.94 0.00 0.00 57.00 51.53 3hpj n GLN 224 Cb 0.44 -2.07 0.31 0.00 0.11 0.00 0.00 30.24 29.02 3hpj n GLN 224 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3hpj h THR 225 N 1.41 1.19 0.00 5.09 1.35 -1.92 0.27 112.91 120.31 3hpj h THR 225 Ca 0.35 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 65.40 3hpj h THR 225 Cb 1.46 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 3hpj h THR 225 CO 0.76 0.26 -0.19 1.56 -0.25 0.00 0.00 175.52 177.67 3hpj h GLN 226 N 0.47 0.00 -0.21 4.72 1.08 -1.99 -3.27 115.11 115.91 3hpj h GLN 226 Ca 0.10 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.27 3hpj h GLN 226 Cb 0.33 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 3hpj h GLN 226 CO 0.01 0.19 -0.02 -0.25 -0.95 0.00 0.00 178.83 177.81 3hpj n ASP 227 N -4.14 3.26 -4.50 1.46 8.00 0.90 -4.99 116.55 116.54 3hpj n ASP 227 Ca -0.02 -3.18 -0.34 0.00 0.71 0.00 0.00 54.79 51.96 3hpj n ASP 227 Cb 0.26 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.70 3hpj n ASP 227 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hpj s THR 228 N -2.92 3.75 -0.22 -3.53 2.01 -0.93 -4.59 115.64 109.21 3hpj s THR 228 Ca 0.40 -0.42 -0.22 0.00 0.31 0.00 0.00 61.69 61.76 3hpj s THR 228 Cb 0.34 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 3hpj s THR 228 CO 0.06 0.52 0.69 -0.70 -0.69 0.00 0.00 174.62 174.50 3hpj s GLU 229 N 0.11 4.19 -0.10 4.92 2.12 -0.02 -4.92 118.70 124.99 3hpj s GLU 229 Ca -0.02 0.70 0.04 0.00 0.36 0.00 0.00 54.97 56.05 3hpj s GLU 229 Cb -0.14 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.65 3hpj s GLU 229 CO 0.03 -0.35 -0.23 -1.17 -0.54 0.00 0.00 175.26 173.01 3hpj s LEU 230 N 2.27 2.05 0.27 2.70 2.96 -1.26 -0.55 118.68 127.11 3hpj s LEU 230 Ca 0.30 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.66 3hpj s LEU 230 Cb -0.16 -1.36 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3hpj s LEU 230 CO 0.10 0.13 0.47 0.68 -1.32 0.00 0.00 176.35 176.41 3hpj s VAL 231 N 0.46 5.14 0.24 1.68 -7.23 -1.03 -5.04 120.40 114.61 3hpj s VAL 231 Ca -0.16 -0.34 -0.31 0.00 -1.81 0.00 0.00 61.98 59.36 3hpj s VAL 231 Cb -0.17 -3.78 -0.13 0.00 0.56 0.00 0.00 36.38 32.86 3hpj s VAL 231 CO 0.07 -0.33 1.48 1.21 -0.31 0.00 0.00 175.10 177.21 3hpj n GLU 232 N -1.09 2.22 -1.65 4.82 2.13 -1.26 -4.67 120.64 121.14 3hpj n GLU 232 Ca -0.04 0.79 -0.46 0.00 0.66 0.00 0.00 57.16 58.11 3hpj n GLU 232 Cb 0.55 -2.49 -0.03 0.00 0.27 0.00 0.00 31.44 29.73 3hpj n GLU 232 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 3hpj n THR 233 N 2.15 0.95 -4.06 6.31 -1.04 -1.26 -4.87 114.28 112.45 3hpj n THR 233 Ca 0.11 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.05 61.76 3hpj n THR 233 Cb 0.33 -1.30 -0.12 0.00 -1.82 0.00 0.00 70.33 67.41 3hpj n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hpj s ARG 234 N -0.41 0.43 0.09 -2.82 1.70 -0.63 -4.96 118.95 112.36 3hpj s ARG 234 Ca 0.69 -0.53 -0.30 0.00 -0.47 0.00 0.00 55.73 55.12 3hpj s ARG 234 Cb -0.70 -0.25 -0.06 0.00 -0.57 0.00 0.00 34.95 33.37 3hpj s ARG 234 CO 0.50 0.05 1.16 -1.25 -1.08 0.00 0.00 175.30 174.68 3hpj s PRO 235 N -1.07 4.48 0.44 3.89 0.04 -1.26 -1.13 135.00 140.40 3hpj s PRO 235 Ca -0.07 1.74 0.23 0.00 0.04 0.00 0.00 61.00 62.94 3hpj s PRO 235 Cb -0.07 -3.33 0.91 0.00 0.04 0.00 0.00 34.50 32.04 3hpj s PRO 235 CO 0.00 -0.15 1.82 0.00 0.04 0.00 0.00 177.00 178.71 3hpj h ALA 236 N 6.28 1.03 0.00 8.56 0.00 -1.24 -3.47 119.26 130.42 3hpj h ALA 236 Ca -0.42 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3hpj h ALA 236 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3hpj h ALA 236 CO 0.78 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.74 3hpj n GLY 237 N 0.13 0.82 0.93 0.00 0.00 -1.26 -4.91 105.19 100.90 3hpj n GLY 237 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 3hpj n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hpj n ASP 238 N 0.00 3.86 0.00 1.61 5.68 -1.26 -4.93 116.55 121.51 3hpj n ASP 238 Ca 0.00 -2.82 0.00 0.00 -0.50 0.00 0.00 54.79 51.47 3hpj n ASP 238 Cb 0.00 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.48 3hpj n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hpj n GLY 239 N -0.22 0.69 3.81 6.12 0.00 -1.26 -5.06 105.19 109.27 3hpj n GLY 239 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3hpj n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hpj s THR 240 N -2.51 1.72 0.26 2.61 -4.23 -1.26 -4.87 115.64 107.35 3hpj s THR 240 Ca 0.00 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 58.88 3hpj s THR 240 Cb 0.00 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 3hpj s THR 240 CO 0.00 0.00 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.64 3hpj s PHE 241 N -2.75 1.91 0.02 3.99 0.40 0.29 -0.73 117.98 121.11 3hpj s PHE 241 Ca 0.28 -0.66 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 3hpj s PHE 241 Cb 0.01 -1.04 -0.02 0.00 0.51 0.00 0.00 43.02 42.48 3hpj s PHE 241 CO 0.16 0.30 -0.05 -0.65 0.70 0.00 0.00 175.22 175.69 3hpj s GLN 242 N -3.71 0.38 -0.07 0.44 -0.21 -0.28 -2.00 119.66 114.21 3hpj s GLN 242 Ca 0.28 -0.56 -0.21 0.00 0.02 0.00 0.00 55.36 54.89 3hpj s GLN 242 Cb 0.03 -0.12 0.05 0.00 1.00 0.00 0.00 33.01 33.96 3hpj s GLN 242 CO 0.11 0.01 0.48 0.21 -2.12 0.00 0.00 175.29 173.99 3hpj s LYS 243 N -1.21 0.78 0.07 2.91 2.20 -0.27 -1.60 119.74 122.63 3hpj s LYS 243 Ca -0.10 0.19 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 3hpj s LYS 243 Cb -0.08 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.57 3hpj s LYS 243 CO -0.00 -0.20 -0.12 1.67 -0.36 0.00 0.00 175.35 176.33 3hpj s TRP 244 N -0.87 1.11 -0.01 4.03 1.48 -1.26 -0.57 118.94 122.84 3hpj s TRP 244 Ca -0.09 -0.51 0.06 0.00 -1.06 0.00 0.00 56.10 54.50 3hpj s TRP 244 Cb -0.03 -0.62 -0.02 0.00 -1.16 0.00 0.00 33.47 31.65 3hpj s TRP 244 CO 0.05 0.03 -0.19 0.00 -4.06 0.00 0.00 176.95 172.78 3hpj s ALA 245 N -1.57 1.61 0.07 2.67 0.00 -0.62 -2.48 121.76 121.43 3hpj s ALA 245 Ca -0.01 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.17 3hpj s ALA 245 Cb -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3hpj s ALA 245 CO 0.02 0.39 -0.15 0.00 0.00 0.00 0.00 175.76 176.02 3hpj s ALA 246 N -0.46 1.26 0.06 0.00 0.00 0.29 -0.09 121.76 122.82 3hpj s ALA 246 Ca 0.07 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.10 3hpj s ALA 246 Cb -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3hpj s ALA 246 CO -0.01 0.21 -0.14 0.14 0.00 0.00 0.00 175.76 175.96 3hpj s VAL 247 N -1.13 1.14 -0.20 0.00 -7.23 -0.36 -0.84 120.40 111.78 3hpj s VAL 247 Ca 0.00 -1.16 -0.17 0.00 -1.81 0.00 0.00 61.98 58.83 3hpj s VAL 247 Cb -0.09 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3hpj s VAL 247 CO 0.02 -0.10 0.47 -0.69 -0.31 0.00 0.00 175.10 174.49 3hpj s VAL 248 N -1.06 5.14 -0.14 1.32 1.01 -1.26 -1.01 120.40 124.40 3hpj s VAL 248 Ca 0.00 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.87 3hpj s VAL 248 Cb -0.09 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.50 3hpj s VAL 248 CO 0.02 0.21 -0.21 -0.69 0.00 0.00 0.00 175.10 174.43 3hpj s VAL 249 N 1.47 2.13 0.24 2.92 1.01 0.90 -4.96 120.40 124.11 3hpj s VAL 249 Ca 0.22 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3hpj s VAL 249 Cb -0.15 -1.85 -0.10 0.00 0.00 0.00 0.00 36.38 34.27 3hpj s VAL 249 CO 0.09 0.55 1.45 -2.84 0.00 0.00 0.00 175.10 174.34 3hpj s PRO 250 N 0.79 4.27 0.29 2.72 0.02 -1.26 -0.98 135.00 140.84 3hpj s PRO 250 Ca -0.07 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.94 3hpj s PRO 250 Cb -0.16 -3.12 -0.12 0.00 0.02 0.00 0.00 34.50 31.12 3hpj s PRO 250 CO -0.01 -0.43 1.45 0.43 -0.33 0.00 0.00 177.00 178.11 3hpj n SER 251 N 2.52 3.19 0.00 2.53 7.64 -0.70 -1.31 113.62 127.49 3hpj n SER 251 Ca 0.07 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.12 3hpj n SER 251 Cb 0.40 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 3hpj n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hpj n GLY 252 N 1.78 1.02 0.98 0.23 0.00 -1.26 -4.92 105.19 103.03 3hpj n GLY 252 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3hpj n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hpj n GLN 253 N -2.00 3.14 -0.25 1.61 6.02 -0.43 -4.69 117.38 120.79 3hpj n GLN 253 Ca 0.00 -2.58 0.06 0.00 -0.01 0.00 0.00 57.00 54.48 3hpj n GLN 253 Cb 0.00 -1.66 0.31 0.00 1.02 0.00 0.00 30.24 29.91 3hpj n GLN 253 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3hpj h GLU 254 N 2.44 0.84 0.00 -1.09 3.07 -1.91 -1.46 114.58 116.47 3hpj h GLU 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3hpj h GLU 254 Cb 1.20 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3hpj h GLU 254 CO 0.15 0.55 0.00 0.00 -1.40 0.00 0.00 179.01 178.31 3hpj n GLN 255 N -4.50 0.18 0.24 2.33 0.00 -1.26 -2.46 117.38 111.91 3hpj n GLN 255 Ca 0.13 0.40 0.14 0.00 0.00 0.00 0.00 57.00 57.67 3hpj n GLN 255 Cb 0.25 -1.84 0.40 0.00 0.00 0.00 0.00 30.24 29.06 3hpj n GLN 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hpj h ARG 256 N 0.00 0.00 -5.69 2.61 3.08 -1.62 -3.46 114.38 109.29 3hpj h ARG 256 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3hpj h ARG 256 Cb 0.36 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.33 3hpj h ARG 256 CO 0.00 0.05 -0.50 0.71 -1.07 0.00 0.00 179.97 179.15 3hpj s TYR 257 N -3.42 3.53 0.02 3.04 2.02 -1.03 -1.27 117.35 120.24 3hpj s TYR 257 Ca 0.04 0.48 0.03 0.00 -0.37 0.00 0.00 57.07 57.24 3hpj s TYR 257 Cb 0.07 -1.92 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 3hpj s TYR 257 CO 0.62 0.70 -0.08 0.95 -1.57 0.00 0.00 175.55 176.16 3hpj s THR 258 N -1.01 0.63 -0.10 -0.71 -4.23 0.02 -4.58 115.64 105.67 3hpj s THR 258 Ca 0.15 -0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3hpj s THR 258 Cb -0.12 -0.59 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 3hpj s THR 258 CO 0.04 -0.04 -0.06 0.00 -0.54 0.00 0.00 174.62 174.02 3hpj s HIS 260 N -0.36 2.62 -0.16 0.00 3.76 0.47 -0.51 115.29 121.10 3hpj s HIS 260 Ca 0.05 -1.00 0.01 0.00 -0.15 0.00 0.00 55.06 53.97 3hpj s HIS 260 Cb -0.12 -1.74 0.02 0.00 1.11 0.00 0.00 32.58 31.84 3hpj s HIS 260 CO 0.02 -0.40 -0.16 0.08 -0.85 0.00 0.00 174.74 173.43 3hpj s VAL 261 N 0.38 1.77 -0.12 -0.90 1.01 -0.73 -1.68 120.40 120.13 3hpj s VAL 261 Ca -0.17 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.06 3hpj s VAL 261 Cb -0.17 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.56 3hpj s VAL 261 CO 0.08 0.48 -0.17 -1.10 0.00 0.00 0.00 175.10 174.38 3hpj s GLN 262 N 1.41 3.23 -0.12 2.72 -0.21 0.14 -1.53 119.66 125.29 3hpj s GLN 262 Ca 0.05 -0.77 -0.22 0.00 0.02 0.00 0.00 55.36 54.44 3hpj s GLN 262 Cb -0.13 -2.51 0.05 0.00 1.00 0.00 0.00 33.01 31.42 3hpj s GLN 262 CO -0.12 0.16 0.54 -1.58 -2.12 0.00 0.00 175.29 172.17 3hpj s HIS 263 N 0.45 -0.53 0.40 0.91 2.46 -1.26 -1.49 115.29 116.23 3hpj s HIS 263 Ca -0.13 1.13 0.38 0.00 0.47 0.00 0.00 55.06 56.92 3hpj s HIS 263 Cb -0.17 0.24 2.05 0.00 -0.13 0.00 0.00 32.58 34.57 3hpj s HIS 263 CO 0.06 -0.40 2.17 1.05 -2.47 0.00 0.00 174.74 175.14 3hpj h GLU 264 N 4.33 0.00 0.00 2.88 4.11 -1.95 -1.68 114.58 122.27 3hpj h GLU 264 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3hpj h GLU 264 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3hpj h GLU 264 CO 0.27 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.76 3hpj n GLY 265 N -1.04 -1.52 3.74 1.06 0.00 -1.26 -4.78 105.19 101.39 3hpj n GLY 265 Ca -0.02 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3hpj n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hpj s LEU 266 N -3.54 4.25 0.42 0.99 1.43 -0.63 -4.52 118.68 117.09 3hpj s LEU 266 Ca 0.12 0.43 0.21 0.00 -1.03 0.00 0.00 54.13 53.86 3hpj s LEU 266 Cb 0.16 -2.27 0.92 0.00 0.03 0.00 0.00 46.19 45.03 3hpj s LEU 266 CO 0.53 0.16 1.85 -0.65 0.23 0.00 0.00 176.35 178.46 3hpj h PRO 267 N 6.47 0.00 -3.41 1.29 0.11 -1.86 -3.43 132.00 131.17 3hpj h PRO 267 Ca -0.43 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.47 3hpj h PRO 267 Cb 1.17 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.00 3hpj h PRO 267 CO 0.74 0.29 -0.59 0.15 -0.21 0.00 0.00 178.00 178.38 3hpj s LYS 268 N -3.85 0.12 0.58 1.05 1.02 -1.26 -5.14 119.74 112.26 3hpj s LYS 268 Ca -0.01 0.21 -0.20 0.00 0.02 0.00 0.00 55.97 55.98 3hpj s LYS 268 Cb 0.12 0.01 -0.04 0.00 -0.52 0.00 0.00 37.83 37.40 3hpj s LYS 268 CO 0.66 -0.05 1.33 -2.30 -0.92 0.00 0.00 175.35 174.06 3hpj n PRO 269 N 3.30 1.47 -3.56 -1.68 -0.02 -1.26 -4.97 135.00 128.27 3hpj n PRO 269 Ca -0.16 0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 61.55 3hpj n PRO 269 Cb 0.57 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 3hpj n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hpj s LEU 270 N -3.70 4.26 -0.16 2.45 1.43 -0.59 -4.93 118.68 117.44 3hpj s LEU 270 Ca 0.76 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 3hpj s LEU 270 Cb -0.40 -3.35 0.03 0.00 0.03 0.00 0.00 46.19 42.49 3hpj s LEU 270 CO 0.46 0.04 -0.13 -0.89 0.23 0.00 0.00 176.35 176.06 3hpj s THR 271 N -1.65 1.56 0.03 5.49 2.01 -1.26 -1.78 115.64 120.05 3hpj s THR 271 Ca 0.41 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.76 3hpj s THR 271 Cb -0.12 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 3hpj s THR 271 CO 0.22 0.37 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.60 3hpj s LEU 272 N 1.47 2.69 0.02 4.42 1.43 0.33 -4.94 118.68 124.11 3hpj s LEU 272 Ca 0.03 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3hpj s LEU 272 Cb -0.14 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 3hpj s LEU 272 CO -0.10 0.26 -0.07 -0.60 0.23 0.00 0.00 176.35 176.08 3hpj s ARG 273 N -1.41 0.48 -0.36 1.70 3.52 -1.26 -1.01 118.95 120.61 3hpj s ARG 273 Ca 0.15 -0.50 -0.29 0.00 -0.13 0.00 0.00 55.73 54.96 3hpj s ARG 273 Cb -0.11 -0.34 0.01 0.00 -1.56 0.00 0.00 34.95 32.96 3hpj s ARG 273 CO 0.05 0.08 1.21 -0.46 -0.81 0.00 0.00 175.30 175.37 3hpj s TRP 274 N -0.81 2.81 0.00 5.12 -0.11 -1.26 -5.06 118.94 119.63 3hpj s TRP 274 Ca -0.05 0.90 0.00 0.00 1.22 0.00 0.00 56.10 58.18 3hpj s TRP 274 Cb -0.06 -4.02 0.00 0.00 -1.50 0.00 0.00 33.47 27.89 3hpj s TRP 274 CO 0.00 -1.38 0.00 0.39 -4.62 0.00 0.00 176.95 171.34