#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw6 n GLY -1 N 0.00 2.53 3.88 -0.72 0.00 -1.26 -5.10 105.19 104.53 3hw6 n GLY -1 Ca 0.00 -2.16 -0.21 0.00 0.00 0.00 0.00 46.02 43.66 3hw6 n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hw6 s SER 0 N -1.18 5.26 0.16 1.61 1.04 -1.26 -4.83 113.70 114.51 3hw6 s SER 0 Ca 0.02 -0.56 -0.02 0.00 0.48 0.00 0.00 55.95 55.87 3hw6 s SER 0 Cb -0.00 -0.82 0.02 0.00 0.10 0.00 0.00 66.02 65.31 3hw6 s SER 0 CO 0.01 -0.49 1.40 -0.03 0.98 0.00 0.00 173.24 175.12 3hw6 h MET 1 N 1.11 0.40 -0.10 4.02 4.05 -1.98 -3.32 114.93 119.11 3hw6 h MET 1 Ca -0.43 -0.35 -0.07 0.00 -0.28 0.00 0.00 59.70 58.56 3hw6 h MET 1 Cb 1.26 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 32.13 3hw6 h MET 1 CO 0.57 1.00 -0.25 1.49 0.23 0.00 0.00 176.91 179.95 3hw6 h GLU 2 N 0.26 0.18 -0.88 0.39 4.81 -1.93 -1.96 114.58 115.46 3hw6 h GLU 2 Ca -0.04 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3hw6 h GLU 2 Cb 1.37 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.69 3hw6 h GLU 2 CO 0.13 0.43 0.48 -0.44 -0.73 0.00 0.00 179.01 178.88 3hw6 h ASP 3 N 0.17 1.10 -0.85 1.04 5.19 -2.01 -2.97 116.42 118.09 3hw6 h ASP 3 Ca 0.03 -0.10 0.18 0.00 -0.62 0.00 0.00 57.03 56.52 3hw6 h ASP 3 Cb 0.55 -0.28 -0.11 0.00 0.18 0.00 0.00 39.33 39.67 3hw6 h ASP 3 CO 0.04 0.89 0.37 0.15 -3.12 0.00 0.00 179.24 177.57 3hw6 h PHE 4 N 1.23 0.64 0.00 4.55 3.57 -1.46 -3.35 116.94 122.11 3hw6 h PHE 4 Ca 0.31 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 3hw6 h PHE 4 Cb 0.03 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 3hw6 h PHE 4 CO 0.01 0.04 -0.59 0.28 -2.23 0.00 0.00 178.31 175.82 3hw6 n VAL 5 N -4.99 1.43 0.16 1.41 0.31 -1.13 -3.04 118.33 112.47 3hw6 n VAL 5 Ca 0.19 0.20 0.01 0.00 -0.01 0.00 0.00 64.34 64.72 3hw6 n VAL 5 Cb 0.53 -2.37 0.03 0.00 -0.91 0.00 0.00 33.84 31.12 3hw6 n VAL 5 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3hw6 n ARG 6 N -4.60 0.02 -0.09 5.55 5.12 -1.16 -1.77 116.66 119.74 3hw6 n ARG 6 Ca -0.09 0.46 -0.13 0.00 -1.93 0.00 0.00 57.85 56.16 3hw6 n ARG 6 Cb 0.30 -2.25 -0.04 0.00 -1.16 0.00 0.00 32.46 29.31 3hw6 n ARG 6 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3hw6 n GLN 7 N -1.74 0.48 -0.27 5.56 3.00 -1.25 -4.66 117.38 118.50 3hw6 n GLN 7 Ca -0.00 0.20 -0.05 0.00 -0.01 0.00 0.00 57.00 57.14 3hw6 n GLN 7 Cb 0.70 -1.34 0.06 0.00 0.00 0.00 0.00 30.24 29.66 3hw6 n GLN 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hw6 s PHE 9 N -5.90 3.47 0.26 0.00 0.40 -1.23 -5.07 117.98 109.90 3hw6 s PHE 9 Ca -0.13 0.06 -0.31 0.00 -0.60 0.00 0.00 56.93 55.95 3hw6 s PHE 9 Cb 0.15 -1.63 -0.12 0.00 0.51 0.00 0.00 43.02 41.93 3hw6 s PHE 9 CO 0.79 0.45 1.60 -1.71 0.70 0.00 0.00 175.22 177.06 3hw6 n ASN 10 N -1.08 3.69 -0.13 1.36 2.85 -1.26 -4.88 115.26 115.82 3hw6 n ASN 10 Ca -0.08 1.12 0.04 0.00 -0.11 0.00 0.00 54.58 55.55 3hw6 n ASN 10 Cb 0.56 -1.56 0.34 0.00 1.24 0.00 0.00 39.78 40.36 3hw6 n ASN 10 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3hw6 h PRO 11 N 5.22 0.76 -0.39 1.20 0.13 -1.98 -1.02 132.00 135.92 3hw6 h PRO 11 Ca -0.46 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3hw6 h PRO 11 Cb 1.23 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3hw6 h PRO 11 CO 0.83 0.50 0.24 1.98 -0.23 0.00 0.00 178.00 181.32 3hw6 h MET 12 N 0.78 0.52 -0.04 0.86 1.85 -2.00 -0.74 114.93 116.16 3hw6 h MET 12 Ca 0.25 -0.04 -0.09 0.00 -0.61 0.00 0.00 59.70 59.21 3hw6 h MET 12 Cb 0.02 -0.11 0.01 0.00 0.43 0.00 0.00 31.60 31.94 3hw6 h MET 12 CO -0.06 0.36 -0.33 0.82 -0.40 0.00 0.00 176.91 177.30 3hw6 h ILE 13 N 0.53 1.46 -0.58 1.77 2.04 -1.59 -3.26 117.51 117.88 3hw6 h ILE 13 Ca 0.14 -1.81 0.08 0.00 1.00 0.00 0.00 64.86 64.27 3hw6 h ILE 13 Cb -0.02 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 3hw6 h ILE 13 CO -0.03 0.51 0.23 0.58 0.00 0.00 0.00 178.15 179.45 3hw6 h VAL 14 N -0.25 0.81 -0.99 1.67 2.07 -0.98 -1.35 116.25 117.23 3hw6 h VAL 14 Ca -0.03 -0.14 0.10 0.00 0.82 0.00 0.00 66.70 67.44 3hw6 h VAL 14 Cb 1.01 0.35 -0.12 0.00 -1.52 0.00 0.00 31.29 31.00 3hw6 h VAL 14 CO 0.07 0.08 -0.56 -0.62 0.02 0.00 0.00 177.57 176.55 3hw6 n GLU 15 N -4.98 -0.41 0.24 1.57 -0.58 -0.32 -1.08 120.64 115.09 3hw6 n GLU 15 Ca 0.08 1.50 0.14 0.00 -0.42 0.00 0.00 57.16 58.45 3hw6 n GLU 15 Cb 0.24 -2.20 0.38 0.00 -0.57 0.00 0.00 31.44 29.29 3hw6 n GLU 15 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hw6 h LEU 16 N 0.00 0.00 -0.39 -4.62 3.38 -1.37 -0.54 115.31 111.77 3hw6 h LEU 16 Ca 0.18 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 3hw6 h LEU 16 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3hw6 h LEU 16 CO -0.94 0.01 -0.60 0.00 0.09 0.00 0.00 178.44 177.01 3hw6 h ALA 17 N 1.99 0.57 0.78 1.53 0.00 -0.57 0.33 119.26 123.89 3hw6 h ALA 17 Ca -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3hw6 h ALA 17 Cb 0.80 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hw6 h ALA 17 CO 0.00 0.69 -0.41 0.93 0.00 0.00 0.00 179.25 180.47 3hw6 h GLU 18 N 0.50 -1.05 -0.82 0.00 5.08 -0.14 -2.28 114.58 115.88 3hw6 h GLU 18 Ca -0.00 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.58 3hw6 h GLU 18 Cb 1.17 0.24 -0.10 0.00 0.50 0.00 0.00 28.75 30.57 3hw6 h GLU 18 CO 0.12 -0.70 0.39 0.87 -1.00 0.00 0.00 179.01 178.69 3hw6 h LYS 19 N -1.09 0.53 0.00 2.33 1.79 -1.15 0.14 116.57 119.12 3hw6 h LYS 19 Ca -0.11 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.31 3hw6 h LYS 19 Cb 0.85 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3hw6 h LYS 19 CO 0.16 0.35 -0.12 0.00 -1.08 0.00 0.00 179.45 178.75 3hw6 h ALA 20 N 1.56 1.00 0.11 3.86 0.00 -0.96 -0.21 119.26 124.61 3hw6 h ALA 20 Ca 0.45 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 55.07 3hw6 h ALA 20 Cb 0.67 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hw6 h ALA 20 CO -0.39 0.15 -0.86 0.52 0.00 0.00 0.00 179.25 178.68 3hw6 h MET 21 N 0.00 0.23 0.00 0.00 2.86 -0.21 -3.31 114.93 114.50 3hw6 h MET 21 Ca -0.00 -0.39 -0.11 0.00 -2.06 0.00 0.00 59.70 57.14 3hw6 h MET 21 Cb 0.70 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 3hw6 h MET 21 CO 0.02 1.18 -0.53 0.87 1.06 0.00 0.00 176.91 179.51 3hw6 h LYS 22 N -0.48 0.00 -0.48 1.72 1.57 -0.98 0.19 116.57 118.11 3hw6 h LYS 22 Ca -0.17 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3hw6 h LYS 22 Cb 1.56 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.81 3hw6 h LYS 22 CO 0.09 0.53 0.16 1.49 -0.57 0.00 0.00 179.45 181.15 3hw6 h GLU 23 N 0.00 0.32 -0.01 3.15 4.81 -1.20 -2.24 114.58 119.42 3hw6 h GLU 23 Ca -0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hw6 h GLU 23 Cb 1.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.31 3hw6 h GLU 23 CO 0.07 0.21 -0.10 0.66 -0.73 0.00 0.00 179.01 179.12 3hw6 n TYR 24 N -5.02 0.00 -2.99 0.92 4.02 -1.18 -4.90 117.16 108.02 3hw6 n TYR 24 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.83 3hw6 n TYR 24 Cb 0.19 -0.11 0.04 0.00 -0.02 0.00 0.00 39.34 39.44 3hw6 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw6 n GLY 25 N 1.24 0.29 3.68 2.72 0.00 -0.84 -5.06 105.19 107.22 3hw6 n GLY 25 Ca 0.16 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 3hw6 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw6 s GLU 26 N -5.58 2.10 -0.15 1.61 2.02 0.63 -4.99 118.70 114.34 3hw6 s GLU 26 Ca 0.26 -1.97 0.01 0.00 0.02 0.00 0.00 54.97 53.29 3hw6 s GLU 26 Cb -0.11 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3hw6 s GLU 26 CO 0.32 -0.08 -0.18 0.34 0.02 0.00 0.00 175.26 175.68 3hw6 s ASP 27 N -3.81 3.44 0.00 -0.19 3.68 -1.26 -3.42 116.67 115.12 3hw6 s ASP 27 Ca 0.38 -0.52 0.00 0.00 2.13 0.00 0.00 52.55 54.54 3hw6 s ASP 27 Cb 0.07 -1.52 0.00 0.00 -1.45 0.00 0.00 42.92 40.02 3hw6 s ASP 27 CO 0.20 0.08 0.85 -2.65 0.13 0.00 0.00 175.17 173.78 3hw6 n PRO 28 N 4.08 0.00 -0.59 4.34 -0.02 -1.26 -1.59 135.00 139.96 3hw6 n PRO 28 Ca -0.19 0.55 0.46 0.00 -2.02 0.00 0.00 63.50 62.29 3hw6 n PRO 28 Cb 0.52 -1.35 0.72 0.00 -0.02 0.00 0.00 33.50 33.36 3hw6 n PRO 28 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hw6 n LYS 29 N -1.89 -0.01 -0.03 -0.52 5.02 -1.26 -2.47 118.16 117.00 3hw6 n LYS 29 Ca 0.00 1.03 -0.01 0.00 -2.02 0.00 0.00 58.31 57.31 3hw6 n LYS 29 Cb 0.00 -2.28 -0.00 0.00 -0.02 0.00 0.00 35.03 32.72 3hw6 n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3hw6 h ILE 30 N 0.00 0.00 -2.88 -0.18 2.04 -1.98 -3.45 117.51 111.06 3hw6 h ILE 30 Ca 0.85 -0.42 -0.65 0.00 1.00 0.00 0.00 64.86 65.64 3hw6 h ILE 30 Cb 3.23 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 39.15 3hw6 h ILE 30 CO -0.13 0.00 0.39 -1.61 0.00 0.00 0.00 178.15 176.81 3hw6 s GLU 31 N -1.42 3.13 -0.05 2.37 0.41 -0.62 -4.89 118.70 117.63 3hw6 s GLU 31 Ca -0.04 -0.84 0.07 0.00 -0.41 0.00 0.00 54.97 53.74 3hw6 s GLU 31 Cb 0.01 -4.19 -0.10 0.00 -1.78 0.00 0.00 34.13 28.07 3hw6 s GLU 31 CO 0.06 -1.63 0.07 0.25 -0.49 0.00 0.00 175.26 173.52 3hw6 n THR 32 N 5.85 0.32 0.00 3.63 -2.24 -1.24 -2.30 114.28 118.30 3hw6 n THR 32 Ca -0.04 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3hw6 n THR 32 Cb 0.45 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3hw6 n THR 32 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hw6 n ASN 33 N -2.09 0.00 -0.34 3.42 3.02 -1.26 -0.47 115.26 117.53 3hw6 n ASN 33 Ca -0.08 0.77 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 3hw6 n ASN 33 Cb 0.55 -0.36 0.14 0.00 -0.61 0.00 0.00 39.78 39.50 3hw6 n ASN 33 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3hw6 h LYS 34 N 0.00 1.10 -1.00 3.52 3.64 -1.98 -0.80 116.57 121.05 3hw6 h LYS 34 Ca 0.00 -0.07 0.10 0.00 -1.27 0.00 0.00 60.65 59.42 3hw6 h LYS 34 Cb 0.00 -0.25 -0.08 0.00 -0.41 0.00 0.00 32.23 31.49 3hw6 h LYS 34 CO 0.00 0.73 0.64 0.35 -2.27 0.00 0.00 179.45 178.90 3hw6 h PHE 35 N 1.14 1.16 0.17 1.91 -0.00 -1.02 -1.75 116.94 118.56 3hw6 h PHE 35 Ca 0.39 0.03 -0.33 0.00 -0.00 0.00 0.00 57.97 58.06 3hw6 h PHE 35 Cb 0.08 -0.37 0.01 0.00 -0.00 0.00 0.00 35.95 35.67 3hw6 h PHE 35 CO -0.01 0.50 -1.59 0.00 -0.00 0.00 0.00 178.31 177.21 3hw6 h ALA 36 N 1.52 0.12 -1.08 2.41 0.00 0.08 -2.96 119.26 119.35 3hw6 h ALA 36 Ca 0.48 -1.06 0.30 0.00 0.00 0.00 0.00 54.91 54.63 3hw6 h ALA 36 Cb 0.39 0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 3hw6 h ALA 36 CO -0.24 0.99 0.68 0.00 0.00 0.00 0.00 179.25 180.68 3hw6 h ALA 37 N 0.28 2.21 0.49 0.00 0.00 -1.02 -0.66 119.26 120.56 3hw6 h ALA 37 Ca -0.28 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hw6 h ALA 37 Cb 2.08 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3hw6 h ALA 37 CO 0.20 -0.70 -0.24 0.82 0.00 0.00 0.00 179.25 179.33 3hw6 h ILE 38 N 0.36 0.00 -1.00 0.00 2.04 -1.27 0.25 117.51 117.90 3hw6 h ILE 38 Ca 0.66 -0.37 0.19 0.00 1.00 0.00 0.00 64.86 66.35 3hw6 h ILE 38 Cb 1.68 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.65 3hw6 h ILE 38 CO -0.39 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.36 3hw6 h THR 40 N 0.74 0.00 -1.01 0.00 2.02 -1.13 0.32 112.91 113.85 3hw6 h THR 40 Ca 0.58 -0.02 0.22 0.00 0.77 0.00 0.00 66.41 67.96 3hw6 h THR 40 Cb 0.92 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.22 3hw6 h THR 40 CO -0.39 0.00 0.61 -0.74 0.37 0.00 0.00 175.52 175.37 3hw6 h HIS 41 N -0.80 0.97 -0.16 3.16 6.17 -0.21 0.33 115.15 124.61 3hw6 h HIS 41 Ca -0.08 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.01 3hw6 h HIS 41 Cb 0.60 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 30.23 3hw6 h HIS 41 CO 0.09 0.14 -0.01 -0.07 0.71 0.00 0.00 177.93 178.79 3hw6 h LEU 42 N 0.62 0.21 -0.38 0.26 4.07 0.42 -3.05 115.31 117.46 3hw6 h LEU 42 Ca 0.60 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 58.44 3hw6 h LEU 42 Cb 1.13 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.81 3hw6 h LEU 42 CO -0.40 0.26 -0.18 -0.08 -1.08 0.00 0.00 178.44 176.96 3hw6 h GLU 43 N 0.23 0.79 -0.41 1.13 4.81 0.37 -3.15 114.58 118.34 3hw6 h GLU 43 Ca 0.05 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 3hw6 h GLU 43 Cb 0.17 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3hw6 h GLU 43 CO 0.00 0.96 -0.17 0.28 -0.73 0.00 0.00 179.01 179.36 3hw6 h VAL 44 N 0.58 1.26 -0.92 0.32 2.07 -1.40 -0.82 116.25 117.35 3hw6 h VAL 44 Ca 0.08 -1.25 0.11 0.00 0.82 0.00 0.00 66.70 66.47 3hw6 h VAL 44 Cb 0.72 1.13 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 3hw6 h VAL 44 CO 0.05 0.42 0.55 0.00 0.02 0.00 0.00 177.57 178.62 3hw6 h PHE 46 N 0.87 0.40 -0.02 0.00 0.04 -1.47 -3.20 116.94 113.56 3hw6 h PHE 46 Ca 0.46 -0.21 -0.19 0.00 2.80 0.00 0.00 57.97 60.83 3hw6 h PHE 46 Cb 0.47 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3hw6 h PHE 46 CO -0.04 1.00 -0.82 0.52 -0.60 0.00 0.00 178.31 178.38 3hw6 h MET 47 N 0.16 0.27 -0.87 1.51 2.86 -0.14 -3.02 114.93 115.70 3hw6 h MET 47 Ca -0.05 -0.26 0.13 0.00 -2.06 0.00 0.00 59.70 57.46 3hw6 h MET 47 Cb 1.46 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 33.10 3hw6 h MET 47 CO 0.14 0.95 0.49 -0.92 1.06 0.00 0.00 176.91 178.62 3hw6 h TYR 48 N 0.16 0.87 -4.18 -0.22 5.03 0.50 -3.49 116.97 115.65 3hw6 h TYR 48 Ca -0.04 0.03 -0.49 0.00 2.58 0.00 0.00 58.73 60.82 3hw6 h TYR 48 Cb 1.42 -0.26 0.05 0.00 1.55 0.00 0.00 36.73 39.49 3hw6 h TYR 48 CO 0.03 0.28 0.38 -1.54 -1.32 0.00 0.00 178.16 176.00 3hw6 s SER 49 N -5.53 6.03 0.00 -2.11 1.04 -1.15 -5.04 113.70 106.94 3hw6 s SER 49 Ca -0.12 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.10 3hw6 s SER 49 Cb 0.21 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.80 3hw6 s SER 49 CO 0.79 -1.00 0.00 -1.14 0.98 0.00 0.00 173.24 172.87 3hw6 n ARG 75 N -1.78 0.00 -4.74 4.02 0.63 -1.26 -5.02 116.66 108.51 3hw6 n ARG 75 Ca 0.08 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.69 3hw6 n ARG 75 Cb 0.53 -1.56 -0.12 0.00 0.45 0.00 0.00 32.46 31.76 3hw6 n ARG 75 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3hw6 s PHE 76 N 0.00 2.76 -0.23 -0.14 0.40 -1.23 0.57 117.98 120.11 3hw6 s PHE 76 Ca 0.00 -0.12 -0.09 0.00 -0.60 0.00 0.00 56.93 56.13 3hw6 s PHE 76 Cb 0.00 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 3hw6 s PHE 76 CO 0.00 0.25 0.11 -2.00 0.70 0.00 0.00 175.22 174.28 3hw6 s GLU 77 N -0.96 3.91 -0.09 0.44 2.56 0.18 -4.89 118.70 119.85 3hw6 s GLU 77 Ca 0.13 -0.36 -0.30 0.00 0.00 0.00 0.00 54.97 54.44 3hw6 s GLU 77 Cb -0.11 -3.39 -0.02 0.00 2.00 0.00 0.00 34.13 32.62 3hw6 s GLU 77 CO 0.03 0.03 1.07 0.42 -0.56 0.00 0.00 175.26 176.25 3hw6 s ILE 78 N 1.08 4.60 -0.14 -3.70 1.01 -1.26 -0.38 121.20 122.41 3hw6 s ILE 78 Ca 0.05 1.89 0.02 0.00 0.00 0.00 0.00 60.65 62.62 3hw6 s ILE 78 Cb -0.14 -4.22 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 3hw6 s ILE 78 CO 0.04 -0.00 -0.10 -0.38 0.00 0.00 0.00 174.94 174.49 3hw6 n ILE 79 N 4.60 0.83 -2.11 2.92 2.08 0.63 -4.93 119.36 123.37 3hw6 n ILE 79 Ca 0.10 -0.34 -0.36 0.00 0.56 0.00 0.00 62.75 62.70 3hw6 n ILE 79 Cb 0.48 -0.97 0.02 0.00 -0.75 0.00 0.00 39.64 38.42 3hw6 n ILE 79 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3hw6 s GLU 80 N -2.29 3.14 0.00 0.38 2.56 -0.91 -2.60 118.70 118.98 3hw6 s GLU 80 Ca -0.18 1.75 0.00 0.00 0.00 0.00 0.00 54.97 56.54 3hw6 s GLU 80 Cb 0.05 -1.97 0.00 0.00 2.00 0.00 0.00 34.13 34.20 3hw6 s GLU 80 CO 0.36 -1.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.42 3hw6 n GLY 81 N 0.38 1.60 3.95 -1.50 0.00 -1.26 -5.03 105.19 103.33 3hw6 n GLY 81 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3hw6 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw6 s ARG 82 N -0.24 2.62 0.26 1.61 0.52 -1.07 -5.03 118.95 117.63 3hw6 s ARG 82 Ca 0.00 -0.52 -0.25 0.00 -0.52 0.00 0.00 55.73 54.44 3hw6 s ARG 82 Cb 0.00 -2.41 -0.09 0.00 0.52 0.00 0.00 34.95 32.97 3hw6 s ARG 82 CO 0.00 -0.73 0.86 -0.51 0.02 0.00 0.00 175.30 174.94 3hw6 s ASP 83 N -4.39 7.33 0.36 0.23 1.01 -1.26 -4.81 116.67 115.14 3hw6 s ASP 83 Ca 0.56 1.72 0.18 0.00 0.71 0.00 0.00 52.55 55.72 3hw6 s ASP 83 Cb -0.10 -2.53 1.22 0.00 1.01 0.00 0.00 42.92 42.51 3hw6 s ASP 83 CO 0.40 0.04 1.63 0.03 0.21 0.00 0.00 175.17 177.48 3hw6 h ARG 84 N 3.59 0.17 0.30 8.23 2.47 -1.98 0.95 114.38 128.11 3hw6 h ARG 84 Ca -0.47 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.23 3hw6 h ARG 84 Cb 1.20 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 3hw6 h ARG 84 CO 0.66 0.11 -0.14 1.15 0.56 0.00 0.00 179.97 182.30 3hw6 h THR 85 N 0.18 0.00 -0.97 2.04 2.02 -2.00 -2.15 112.91 112.03 3hw6 h THR 85 Ca 0.79 -0.11 0.25 0.00 0.77 0.00 0.00 66.41 68.11 3hw6 h THR 85 Cb 1.97 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.25 3hw6 h THR 85 CO -0.66 0.00 0.52 0.24 0.37 0.00 0.00 175.52 175.99 3hw6 h MET 86 N -0.52 0.46 0.49 6.66 2.86 -1.26 -1.85 114.93 121.78 3hw6 h MET 86 Ca -0.04 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3hw6 h MET 86 Cb 0.31 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3hw6 h MET 86 CO 0.07 0.30 -0.24 0.00 1.06 0.00 0.00 176.91 178.11 3hw6 h ALA 87 N 1.75 -0.66 -0.43 6.32 0.00 0.80 -2.67 119.26 124.37 3hw6 h ALA 87 Ca 0.63 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.44 3hw6 h ALA 87 Cb 1.26 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 19.21 3hw6 h ALA 87 CO -0.52 -0.72 -0.14 -1.49 0.00 0.00 0.00 179.25 176.38 3hw6 h TRP 88 N -0.97 -0.33 -0.95 0.00 4.06 -1.17 0.80 115.95 117.38 3hw6 h TRP 88 Ca -0.07 0.04 0.20 0.00 2.06 0.00 0.00 58.89 61.12 3hw6 h TRP 88 Cb 0.60 0.21 -0.08 0.00 -1.00 0.00 0.00 29.16 28.89 3hw6 h TRP 88 CO 0.01 -0.23 0.61 1.79 -3.56 0.00 0.00 178.44 177.06 3hw6 h THR 89 N -0.05 0.70 0.59 1.49 1.35 -1.32 1.05 112.91 116.72 3hw6 h THR 89 Ca 0.21 -0.20 -0.03 0.00 -0.55 0.00 0.00 66.41 65.85 3hw6 h THR 89 Cb 0.37 0.08 0.01 0.00 -1.73 0.00 0.00 68.15 66.87 3hw6 h THR 89 CO -0.47 0.10 -0.28 0.58 -0.25 0.00 0.00 175.52 175.20 3hw6 h VAL 90 N 0.57 0.00 -0.95 6.82 2.07 -0.85 0.11 116.25 124.03 3hw6 h VAL 90 Ca 0.52 -0.26 0.28 0.00 0.82 0.00 0.00 66.70 68.06 3hw6 h VAL 90 Cb 1.05 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.67 3hw6 h VAL 90 CO -0.26 0.00 0.39 0.58 0.02 0.00 0.00 177.57 178.30 3hw6 h VAL 91 N -1.05 0.28 -0.21 2.57 2.07 0.77 0.21 116.25 120.89 3hw6 h VAL 91 Ca -0.08 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3hw6 h VAL 91 Cb 0.61 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3hw6 h VAL 91 CO 0.13 0.04 0.06 0.78 0.02 0.00 0.00 177.57 178.61 3hw6 h ASN 92 N 0.24 0.31 0.26 0.57 -0.26 0.12 0.26 115.58 117.07 3hw6 h ASN 92 Ca 0.65 -0.21 -0.14 0.00 -0.56 0.00 0.00 56.30 56.04 3hw6 h ASN 92 Cb 1.42 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.59 3hw6 h ASN 92 CO -0.65 0.43 -0.56 0.77 -1.06 0.00 0.00 177.43 176.36 3hw6 h SER 93 N 0.16 0.35 -0.05 5.81 4.64 0.21 -1.76 113.55 122.92 3hw6 h SER 93 Ca 0.07 -0.19 0.03 0.00 -0.47 0.00 0.00 61.79 61.22 3hw6 h SER 93 Cb 0.24 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 3hw6 h SER 93 CO -0.00 0.84 -0.11 0.40 -0.87 0.00 0.00 176.83 177.09 3hw6 h ILE 94 N 0.24 0.72 -0.87 0.95 2.04 -1.06 -2.44 117.51 117.09 3hw6 h ILE 94 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.97 3hw6 h ILE 94 Cb 1.05 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3hw6 h ILE 94 CO 0.09 0.00 0.56 0.00 0.00 0.00 0.00 178.15 178.80 3hw6 n ASN 96 N -4.53 1.66 -0.03 0.00 6.94 -1.08 -1.91 115.26 116.31 3hw6 n ASN 96 Ca 0.15 -1.33 -0.01 0.00 -0.02 0.00 0.00 54.58 53.37 3hw6 n ASN 96 Cb 0.35 0.63 -0.00 0.00 -2.36 0.00 0.00 39.78 38.40 3hw6 n ASN 96 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3hw6 h THR 97 N 1.64 0.00 -4.13 5.53 2.02 -1.13 -3.43 112.91 113.41 3hw6 h THR 97 Ca 0.00 -0.46 -0.50 0.00 0.77 0.00 0.00 66.41 66.22 3hw6 h THR 97 Cb 0.65 0.00 0.16 0.00 -1.74 0.00 0.00 68.15 67.22 3hw6 h THR 97 CO 0.00 0.00 0.24 0.42 0.37 0.00 0.00 175.52 176.55 3hw6 s THR 98 N -1.46 2.67 -1.84 3.16 -4.23 -0.40 -4.93 115.64 108.61 3hw6 s THR 98 Ca -0.04 0.22 0.12 0.00 -1.18 0.00 0.00 61.69 60.81 3hw6 s THR 98 Cb 0.01 -2.54 0.38 0.00 1.34 0.00 0.00 72.50 71.68 3hw6 s THR 98 CO 0.07 -0.29 1.29 0.61 -0.54 0.00 0.00 174.62 175.76 3hw6 n GLY 99 N -0.63 1.10 3.78 3.99 0.00 -1.26 -4.46 105.19 107.72 3hw6 n GLY 99 Ca 0.09 -0.46 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 3hw6 n GLY 99 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hw6 s VAL 100 N -1.51 4.16 -0.25 1.61 -7.23 -0.80 -4.85 120.40 111.53 3hw6 s VAL 100 Ca 0.28 1.75 -0.40 0.00 -1.81 0.00 0.00 61.98 61.80 3hw6 s VAL 100 Cb 0.15 -3.95 -0.16 0.00 0.56 0.00 0.00 36.38 32.98 3hw6 s VAL 100 CO 0.18 0.10 1.68 1.21 -0.31 0.00 0.00 175.10 177.96 3hw6 n GLU 101 N 0.44 1.07 -1.67 4.82 2.13 -1.26 -4.54 120.64 121.62 3hw6 n GLU 101 Ca 0.02 0.39 -0.51 0.00 0.66 0.00 0.00 57.16 57.72 3hw6 n GLU 101 Cb 0.50 -2.06 -0.06 0.00 0.27 0.00 0.00 31.44 30.10 3hw6 n GLU 101 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3hw6 n LYS 102 N 4.92 1.69 -1.87 5.31 4.81 -1.26 -4.95 118.16 126.81 3hw6 n LYS 102 Ca 0.26 0.62 -0.38 0.00 -0.87 0.00 0.00 58.31 57.93 3hw6 n LYS 102 Cb 0.12 -2.37 0.03 0.00 0.02 0.00 0.00 35.03 32.84 3hw6 n LYS 102 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3hw6 s PRO 103 N 2.74 3.24 0.34 1.64 0.04 -1.26 -4.89 135.00 136.85 3hw6 s PRO 103 Ca 0.90 2.14 0.08 0.00 0.04 0.00 0.00 61.00 64.17 3hw6 s PRO 103 Cb -0.85 -2.27 0.63 0.00 0.04 0.00 0.00 34.50 32.05 3hw6 s PRO 103 CO 0.53 -1.08 1.82 0.87 0.04 0.00 0.00 177.00 179.17 3hw6 h LYS 104 N 1.54 0.23 0.00 4.56 1.57 -1.96 -3.39 116.57 119.12 3hw6 h LYS 104 Ca -0.51 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 3hw6 h LYS 104 Cb 1.29 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 3hw6 h LYS 104 CO 0.58 0.48 -1.23 1.19 -0.57 0.00 0.00 179.45 179.90 3hw6 n PHE 105 N -4.15 0.00 -0.90 -1.35 3.72 -1.26 -5.11 117.46 108.41 3hw6 n PHE 105 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 3hw6 n PHE 105 Cb 0.37 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3hw6 n PHE 105 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3hw6 n LEU 106 N -2.07 -1.19 0.00 4.37 0.00 -1.26 -5.12 117.00 111.72 3hw6 n LEU 106 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.96 3hw6 n LEU 106 Cb 0.55 -0.60 0.00 0.00 0.00 0.00 0.00 43.42 43.38 3hw6 n LEU 106 CO 0.07 0.00 0.00 -0.81 0.00 0.00 0.00 177.39 176.65 3hw6 n PRO 107 N 0.15 1.67 -0.03 1.96 -0.05 -1.26 -5.06 135.00 132.39 3hw6 n PRO 107 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 63.50 63.24 3hw6 n PRO 107 Cb 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 33.50 33.32 3hw6 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3hw6 n ASP 108 N -1.99 2.09 -4.11 3.54 8.00 0.75 -4.08 116.55 120.75 3hw6 n ASP 108 Ca 0.00 0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.50 3hw6 n ASP 108 Cb 0.00 -0.76 -0.10 0.00 -0.02 0.00 0.00 41.12 40.24 3hw6 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw6 s LEU 109 N -6.92 1.20 -0.10 0.64 1.43 -0.66 0.23 118.68 114.50 3hw6 s LEU 109 Ca -0.25 -1.42 0.00 0.00 -1.03 0.00 0.00 54.13 51.43 3hw6 s LEU 109 Cb 0.07 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.73 3hw6 s LEU 109 CO 0.73 -0.87 -0.08 -0.47 0.23 0.00 0.00 176.35 175.89 3hw6 s TYR 110 N -4.08 1.43 -0.79 0.29 5.04 0.48 -0.93 117.35 118.79 3hw6 s TYR 110 Ca 0.39 -0.66 -0.18 0.00 -2.44 0.00 0.00 57.07 54.18 3hw6 s TYR 110 Cb 0.06 -1.16 0.14 0.00 0.35 0.00 0.00 41.96 41.35 3hw6 s TYR 110 CO 0.14 -0.44 0.90 0.34 -1.34 0.00 0.00 175.55 175.14 3hw6 s ASP 111 N 1.44 6.52 0.53 4.32 3.68 -0.81 -0.64 116.67 131.70 3hw6 s ASP 111 Ca -0.00 -2.00 0.20 0.00 2.13 0.00 0.00 52.55 52.88 3hw6 s ASP 111 Cb -0.13 -2.32 1.36 0.00 -1.45 0.00 0.00 42.92 40.37 3hw6 s ASP 111 CO -0.05 -0.96 2.11 1.88 0.13 0.00 0.00 175.17 178.27 3hw6 h TYR 112 N 8.68 0.00 0.00 -5.34 0.05 -0.18 0.39 116.97 120.57 3hw6 h TYR 112 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hw6 h TYR 112 Cb 1.05 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.79 3hw6 h TYR 112 CO 1.03 0.00 0.00 1.17 -1.05 0.00 0.00 178.16 179.31 3hw6 n LYS 113 N -4.41 0.00 0.05 4.88 4.81 -1.26 -3.78 118.16 118.45 3hw6 n LYS 113 Ca 0.01 0.27 0.07 0.00 -0.87 0.00 0.00 58.31 57.79 3hw6 n LYS 113 Cb 0.26 -1.15 0.31 0.00 0.02 0.00 0.00 35.03 34.47 3hw6 n LYS 113 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hw6 n GLU 114 N -1.32 0.06 -3.47 1.64 -0.58 -1.23 -4.92 120.64 110.82 3hw6 n GLU 114 Ca 0.00 0.39 -0.15 0.00 -0.42 0.00 0.00 57.16 56.98 3hw6 n GLU 114 Cb 0.00 -1.63 0.01 0.00 -0.57 0.00 0.00 31.44 29.24 3hw6 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hw6 n ASN 115 N -1.75 -6.16 -3.61 1.62 3.02 0.13 -5.04 115.26 103.48 3hw6 n ASN 115 Ca 0.02 -0.60 -0.16 0.00 -0.03 0.00 0.00 54.58 53.80 3hw6 n ASN 115 Cb 0.13 -3.45 -0.07 0.00 -0.61 0.00 0.00 39.78 35.78 3hw6 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hw6 s ARG 116 N -4.29 0.90 0.36 3.52 1.70 -1.10 -5.00 118.95 115.03 3hw6 s ARG 116 Ca 0.07 0.19 -0.21 0.00 -0.47 0.00 0.00 55.73 55.32 3hw6 s ARG 116 Cb -0.03 0.42 -0.10 0.00 -0.57 0.00 0.00 34.95 34.67 3hw6 s ARG 116 CO 0.83 -0.26 0.88 -0.06 -1.08 0.00 0.00 175.30 175.61 3hw6 s PHE 117 N -1.05 3.44 -0.09 5.89 0.40 -1.20 -1.93 117.98 123.44 3hw6 s PHE 117 Ca -0.10 1.53 0.04 0.00 -0.60 0.00 0.00 56.93 57.79 3hw6 s PHE 117 Cb -0.02 -2.77 0.00 0.00 0.51 0.00 0.00 43.02 40.74 3hw6 s PHE 117 CO 0.07 0.05 -0.21 0.42 0.70 0.00 0.00 175.22 176.25 3hw6 s ILE 118 N -1.95 1.83 -0.27 0.64 1.01 -0.11 -1.12 121.20 121.23 3hw6 s ILE 118 Ca 0.56 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 3hw6 s ILE 118 Cb -0.12 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 3hw6 s ILE 118 CO 0.17 0.51 0.14 -1.61 0.00 0.00 0.00 174.94 174.14 3hw6 s GLU 119 N 0.43 3.74 0.09 2.79 0.41 -0.79 -0.18 118.70 125.20 3hw6 s GLU 119 Ca -0.18 -0.44 -0.15 0.00 -0.41 0.00 0.00 54.97 53.79 3hw6 s GLU 119 Cb -0.17 -3.51 -0.06 0.00 -1.78 0.00 0.00 34.13 28.60 3hw6 s GLU 119 CO 0.07 -0.22 0.51 0.42 -0.49 0.00 0.00 175.26 175.56 3hw6 s ILE 120 N 1.68 4.88 -0.11 -1.63 -1.09 -1.26 -1.56 121.20 122.11 3hw6 s ILE 120 Ca 0.06 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.38 3hw6 s ILE 120 Cb -0.16 -3.76 0.02 0.00 -1.58 0.00 0.00 42.46 36.98 3hw6 s ILE 120 CO 0.07 0.40 -0.10 -0.83 -1.23 0.00 0.00 174.94 173.25 3hw6 s GLY 121 N -1.44 0.90 -0.14 6.18 0.00 -0.58 -4.96 107.32 107.27 3hw6 s GLY 121 Ca 0.32 -0.61 -0.15 0.00 0.00 0.00 0.00 44.72 44.28 3hw6 s GLY 121 CO 0.18 0.59 0.33 0.14 0.00 0.00 0.00 173.10 174.34 3hw6 s VAL 122 N 1.43 5.27 0.21 1.40 1.01 -1.26 0.86 120.40 129.32 3hw6 s VAL 122 Ca 0.01 0.64 0.01 0.00 0.00 0.00 0.00 61.98 62.64 3hw6 s VAL 122 Cb -0.13 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3hw6 s VAL 122 CO -0.06 0.39 0.05 0.28 0.00 0.00 0.00 175.10 175.76 3hw6 s THR 123 N 0.38 0.59 0.00 3.92 -1.32 -0.33 -4.96 115.64 113.92 3hw6 s THR 123 Ca 0.19 -1.99 0.00 0.00 -1.21 0.00 0.00 61.69 58.68 3hw6 s THR 123 Cb -0.14 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.51 3hw6 s THR 123 CO 0.06 -0.26 0.00 -2.11 -2.21 0.00 0.00 174.62 170.09 3hw6 n ARG 124 N -0.33 3.57 0.00 7.08 -4.01 -1.26 -3.39 116.66 118.32 3hw6 n ARG 124 Ca -0.03 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.78 3hw6 n ARG 124 Cb 0.65 -0.52 0.00 0.00 -3.04 0.00 0.00 32.46 29.55 3hw6 n ARG 124 CO 0.00 0.00 0.00 0.54 -3.04 0.00 0.00 177.63 175.13 3hw6 n ARG 125 N -0.77 3.17 -2.77 2.89 1.74 -1.26 -4.69 116.66 114.98 3hw6 n ARG 125 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 3hw6 n ARG 125 Cb 0.00 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.38 3hw6 n ARG 125 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3hw6 s GLU 126 N 0.00 4.79 0.57 5.56 2.12 -1.26 -4.98 118.70 125.50 3hw6 s GLU 126 Ca 0.00 1.45 0.30 0.00 0.36 0.00 0.00 54.97 57.08 3hw6 s GLU 126 Cb 0.00 -3.30 1.71 0.00 0.26 0.00 0.00 34.13 32.80 3hw6 s GLU 126 CO 0.00 0.44 2.18 -0.39 -0.54 0.00 0.00 175.26 176.95 3hw6 h VAL 127 N 3.41 0.47 0.17 3.70 -1.51 -1.95 -2.56 116.25 117.98 3hw6 h VAL 127 Ca -0.45 -0.25 -0.35 0.00 -1.23 0.00 0.00 66.70 64.42 3hw6 h VAL 127 Cb 1.20 1.17 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 3hw6 h VAL 127 CO 0.69 0.05 -1.78 -0.74 -1.23 0.00 0.00 177.57 174.56 3hw6 h HIS 128 N 0.00 0.67 0.19 5.19 6.17 -1.96 -1.81 115.15 123.59 3hw6 h HIS 128 Ca -0.00 -0.49 0.01 0.00 0.71 0.00 0.00 60.37 60.60 3hw6 h HIS 128 Cb 0.16 -0.03 -0.04 0.00 2.52 0.00 0.00 27.41 30.02 3hw6 h HIS 128 CO 0.00 1.70 -0.46 1.15 0.71 0.00 0.00 177.93 181.03 3hw6 h THR 129 N 0.08 0.10 -0.16 6.26 2.02 -1.96 0.33 112.91 119.57 3hw6 h THR 129 Ca -0.36 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.83 3hw6 h THR 129 Cb 2.07 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3hw6 h THR 129 CO 0.16 0.00 0.11 0.22 0.37 0.00 0.00 175.52 176.38 3hw6 h TYR 130 N -0.74 0.20 -0.36 3.16 3.20 -1.57 0.59 116.97 121.46 3hw6 h TYR 130 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3hw6 h TYR 130 Cb 0.73 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3hw6 h TYR 130 CO -0.37 0.12 0.02 -0.92 -1.64 0.00 0.00 178.16 175.38 3hw6 h TYR 131 N 0.21 0.66 -0.17 -3.82 3.20 -0.92 -1.92 116.97 114.21 3hw6 h TYR 131 Ca 0.06 -0.11 -0.18 0.00 3.14 0.00 0.00 58.73 61.64 3hw6 h TYR 131 Cb -0.01 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 3hw6 h TYR 131 CO -0.00 0.70 -0.64 -0.07 -1.64 0.00 0.00 178.16 176.51 3hw6 h LEU 132 N 0.44 0.72 0.00 2.82 3.38 0.22 0.11 115.31 123.00 3hw6 h LEU 132 Ca 0.10 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3hw6 h LEU 132 Cb 0.42 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hw6 h LEU 132 CO 0.01 1.18 0.00 -0.62 0.09 0.00 0.00 178.44 179.10 3hw6 n GLU 133 N -3.93 0.00 -0.24 1.13 -0.58 0.18 -2.62 120.64 114.57 3hw6 n GLU 133 Ca -0.05 0.85 0.05 0.00 -0.42 0.00 0.00 57.16 57.60 3hw6 n GLU 133 Cb 0.66 -1.49 0.17 0.00 -0.57 0.00 0.00 31.44 30.21 3hw6 n GLU 133 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3hw6 h LYS 134 N 0.00 0.24 -0.53 3.49 1.63 -1.19 -1.86 116.57 118.35 3hw6 h LYS 134 Ca 0.00 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.88 3hw6 h LYS 134 Cb 0.00 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 3hw6 h LYS 134 CO 0.00 0.16 0.36 0.00 -3.45 0.00 0.00 179.45 176.52 3hw6 h ALA 135 N 1.60 2.09 0.11 5.00 0.00 -0.54 -2.93 119.26 124.60 3hw6 h ALA 135 Ca 0.40 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 55.02 3hw6 h ALA 135 Cb 0.68 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hw6 h ALA 135 CO -0.51 -0.22 -1.34 -0.91 0.00 0.00 0.00 179.25 176.27 3hw6 h ASN 136 N 0.30 0.38 -0.49 0.00 4.21 -1.12 0.23 115.58 119.09 3hw6 h ASN 136 Ca 0.24 -0.44 -0.06 0.00 1.21 0.00 0.00 56.30 57.25 3hw6 h ASN 136 Cb 0.56 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 3hw6 h ASN 136 CO -0.06 1.36 0.08 0.50 -1.29 0.00 0.00 177.43 178.03 3hw6 h LYS 137 N 0.07 0.80 0.03 0.81 3.64 -1.53 -3.34 116.57 117.05 3hw6 h LYS 137 Ca -0.17 -0.21 -0.37 0.00 -1.27 0.00 0.00 60.65 58.63 3hw6 h LYS 137 Cb 1.98 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.65 3hw6 h LYS 137 CO 0.18 0.80 -2.08 0.44 -2.27 0.00 0.00 179.45 176.52 3hw6 n ILE 138 N -4.43 1.58 -2.80 2.00 -5.35 -1.20 -5.05 119.36 104.12 3hw6 n ILE 138 Ca 0.01 -0.40 -0.01 0.00 -0.27 0.00 0.00 62.75 62.09 3hw6 n ILE 138 Cb 0.25 -1.78 -0.00 0.00 -1.74 0.00 0.00 39.64 36.36 3hw6 n ILE 138 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hw6 n LYS 139 N -3.90 -3.04 0.00 6.28 4.01 0.80 -5.03 118.16 117.29 3hw6 n LYS 139 Ca -0.42 2.50 0.00 0.00 -0.51 0.00 0.00 58.31 59.88 3hw6 n LYS 139 Cb 0.90 -4.55 0.00 0.00 -0.51 0.00 0.00 35.03 30.86 3hw6 n LYS 139 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3hw6 n SER 140 N 0.93 -1.14 0.00 4.39 3.41 -1.26 -4.89 113.62 115.07 3hw6 n SER 140 Ca -0.04 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3hw6 n SER 140 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3hw6 n SER 140 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hw6 n GLU 141 N -1.25 0.00 -1.00 4.33 0.28 -1.26 -4.81 120.64 116.93 3hw6 n GLU 141 Ca 0.00 0.00 -0.02 0.00 -0.16 0.00 0.00 57.16 56.98 3hw6 n GLU 141 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 3hw6 n GLU 141 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 3hw6 n LYS 142 N 0.00 0.00 -3.74 3.44 -0.00 -1.26 -4.96 118.16 111.65 3hw6 n LYS 142 Ca 0.00 -1.10 -0.37 0.00 -0.00 0.00 0.00 58.31 56.83 3hw6 n LYS 142 Cb 0.00 0.17 -0.11 0.00 -0.00 0.00 0.00 35.03 35.08 3hw6 n LYS 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3hw6 s THR 143 N 0.00 3.55 0.15 0.58 2.01 -1.26 -3.23 115.64 117.45 3hw6 s THR 143 Ca 0.09 -1.74 -0.30 0.00 0.31 0.00 0.00 61.69 60.06 3hw6 s THR 143 Cb 0.11 -3.29 -0.07 0.00 0.01 0.00 0.00 72.50 69.26 3hw6 s THR 143 CO -0.05 -0.54 1.04 -2.28 -0.69 0.00 0.00 174.62 172.10 3hw6 s HIS 144 N 1.25 3.69 -0.23 4.92 2.46 -0.28 -4.47 115.29 122.64 3hw6 s HIS 144 Ca 0.04 1.68 -0.05 0.00 0.47 0.00 0.00 55.06 57.20 3hw6 s HIS 144 Cb -0.22 -3.18 -0.02 0.00 -0.13 0.00 0.00 32.58 29.03 3hw6 s HIS 144 CO -0.02 -0.26 0.01 0.42 -2.47 0.00 0.00 174.74 172.43 3hw6 s ILE 145 N -0.15 3.80 -0.23 0.89 1.01 -1.26 -1.88 121.20 123.38 3hw6 s ILE 145 Ca 0.48 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.80 3hw6 s ILE 145 Cb -0.27 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.49 3hw6 s ILE 145 CO 0.33 0.38 -0.14 -2.28 0.00 0.00 0.00 174.94 173.22 3hw6 s HIS 146 N 1.54 3.08 -0.16 3.97 2.46 -0.60 -1.10 115.29 124.48 3hw6 s HIS 146 Ca 0.06 -2.04 -0.08 0.00 0.47 0.00 0.00 55.06 53.46 3hw6 s HIS 146 Cb -0.15 -1.93 -0.04 0.00 -0.13 0.00 0.00 32.58 30.33 3hw6 s HIS 146 CO -0.00 -0.85 0.13 0.42 -2.47 0.00 0.00 174.74 171.97 3hw6 s ILE 147 N 1.18 5.42 0.25 0.89 -1.09 0.70 -1.53 121.20 127.02 3hw6 s ILE 147 Ca -0.03 0.19 0.09 0.00 -2.23 0.00 0.00 60.65 58.67 3hw6 s ILE 147 Cb -0.17 -3.42 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 3hw6 s ILE 147 CO -0.08 0.53 -0.16 -0.36 -1.23 0.00 0.00 174.94 173.65 3hw6 s PHE 148 N -0.36 1.99 0.20 3.97 2.99 0.25 -1.93 117.98 125.10 3hw6 s PHE 148 Ca 0.11 -0.49 -0.01 0.00 0.00 0.00 0.00 56.93 56.55 3hw6 s PHE 148 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 43.02 41.94 3hw6 s PHE 148 CO 0.01 0.50 0.13 -1.54 -0.00 0.00 0.00 175.22 174.33 3hw6 s SER 149 N -3.42 0.19 0.00 1.36 1.04 -1.07 -1.18 113.70 110.63 3hw6 s SER 149 Ca 0.27 -1.40 0.30 0.00 0.48 0.00 0.00 55.95 55.60 3hw6 s SER 149 Cb -0.02 0.38 1.47 0.00 0.10 0.00 0.00 66.02 67.96 3hw6 s SER 149 CO 0.11 -0.85 2.00 0.49 0.98 0.00 0.00 173.24 175.98 3hw6 n PHE 150 N -0.28 0.00 0.34 5.02 3.01 -1.22 -3.59 117.46 120.74 3hw6 n PHE 150 Ca 0.02 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.58 3hw6 n PHE 150 Cb 0.66 -0.15 0.26 0.00 -0.01 0.00 0.00 39.48 40.24 3hw6 n PHE 150 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hw6 n THR 151 N -0.99 0.64 0.00 4.37 -2.24 -1.26 -4.08 114.28 110.72 3hw6 n THR 151 Ca 0.17 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3hw6 n THR 151 Cb 0.23 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3hw6 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw6 n GLY 152 N 1.40 2.38 3.96 3.38 0.00 -1.24 -5.02 105.19 110.05 3hw6 n GLY 152 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 3hw6 n GLY 152 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hw6 s GLU 153 N -0.28 2.26 -0.04 1.61 -1.05 -1.26 -4.93 118.70 115.01 3hw6 s GLU 153 Ca 0.00 -1.88 -0.30 0.00 -0.15 0.00 0.00 54.97 52.64 3hw6 s GLU 153 Cb 0.00 -2.33 0.11 0.00 -0.44 0.00 0.00 34.13 31.47 3hw6 s GLU 153 CO 0.00 -0.75 1.03 -1.83 0.95 0.00 0.00 175.26 174.66 3hw6 s GLU 154 N -4.46 0.68 -0.11 -4.83 -1.05 -1.26 -2.58 118.70 105.09 3hw6 s GLU 154 Ca 0.46 -0.29 -0.06 0.00 -0.15 0.00 0.00 54.97 54.92 3hw6 s GLU 154 Cb -0.04 0.29 0.04 0.00 -0.44 0.00 0.00 34.13 33.98 3hw6 s GLU 154 CO 0.29 -0.30 0.26 1.41 0.95 0.00 0.00 175.26 177.86 3hw6 s MET 155 N -2.87 0.24 0.06 -4.83 1.75 -0.82 -5.02 119.30 107.82 3hw6 s MET 155 Ca 0.08 0.49 0.05 0.00 -1.25 0.00 0.00 55.69 55.06 3hw6 s MET 155 Cb -0.00 -0.04 -0.03 0.00 2.84 0.00 0.00 34.83 37.60 3hw6 s MET 155 CO -0.06 -0.13 -0.13 0.00 -0.65 0.00 0.00 175.02 174.05 3hw6 s ALA 156 N 0.95 1.11 0.04 4.11 0.00 -1.26 -0.22 121.76 126.49 3hw6 s ALA 156 Ca -0.07 -0.95 -0.38 0.00 0.00 0.00 0.00 51.96 50.56 3hw6 s ALA 156 Cb -0.08 -0.09 -0.19 0.00 0.00 0.00 0.00 23.12 22.76 3hw6 s ALA 156 CO -0.06 0.15 1.12 2.41 0.00 0.00 0.00 175.76 179.38 3hw6 n THR 157 N 1.38 0.14 -1.37 0.00 -1.04 -0.26 -1.96 114.28 111.16 3hw6 n THR 157 Ca -0.21 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.05 61.63 3hw6 n THR 157 Cb 0.54 -0.26 -0.06 0.00 -1.82 0.00 0.00 70.33 68.74 3hw6 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw6 n LYS 158 N 1.76 -1.34 -2.28 -2.82 5.02 -1.26 0.10 118.16 117.34 3hw6 n LYS 158 Ca 0.19 0.80 -0.20 0.00 -2.02 0.00 0.00 58.31 57.09 3hw6 n LYS 158 Cb 0.13 -5.04 -0.02 0.00 -0.02 0.00 0.00 35.03 30.07 3hw6 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw6 n ALA 159 N 0.60 -0.59 -3.29 7.82 0.00 -0.83 -4.96 120.51 119.26 3hw6 n ALA 159 Ca -0.13 0.19 -0.46 0.00 0.00 0.00 0.00 53.44 53.03 3hw6 n ALA 159 Cb 0.46 -2.11 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 3hw6 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw6 s ASP 160 N -2.15 6.26 0.00 0.00 2.15 0.28 -4.93 116.67 118.28 3hw6 s ASP 160 Ca 0.00 -1.86 0.23 0.00 0.43 0.00 0.00 52.55 51.35 3hw6 s ASP 160 Cb 0.00 -2.22 1.08 0.00 -0.30 0.00 0.00 42.92 41.48 3hw6 s ASP 160 CO 0.00 -0.85 1.73 -1.22 -0.17 0.00 0.00 175.17 174.66 3hw6 n TYR 161 N 5.21 0.08 0.00 -5.34 4.02 -1.26 -4.61 117.16 115.25 3hw6 n TYR 161 Ca -0.10 -0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 3hw6 n TYR 161 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 3hw6 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw6 n THR 162 N -0.26 0.00 -2.66 -0.72 -1.04 -1.26 -4.80 114.28 103.53 3hw6 n THR 162 Ca 0.17 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.85 3hw6 n THR 162 Cb 0.21 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.67 3hw6 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw6 s LEU 163 N 0.00 3.84 1.08 -4.42 1.43 -1.26 -5.05 118.68 114.30 3hw6 s LEU 163 Ca 0.00 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.66 3hw6 s LEU 163 Cb 0.00 -4.53 0.24 0.00 0.03 0.00 0.00 46.19 41.92 3hw6 s LEU 163 CO 0.00 -0.48 1.06 1.51 0.23 0.00 0.00 176.35 178.67 3hw6 s ASP 164 N -2.42 1.72 0.37 2.29 1.47 -1.26 -4.81 116.67 114.04 3hw6 s ASP 164 Ca 0.62 1.48 0.14 0.00 1.18 0.00 0.00 52.55 55.96 3hw6 s ASP 164 Cb -0.10 -2.19 0.72 0.00 -0.34 0.00 0.00 42.92 41.01 3hw6 s ASP 164 CO 0.19 -3.73 1.81 -0.33 0.68 0.00 0.00 175.17 173.79 3hw6 h GLU 165 N -2.30 0.00 0.00 2.11 4.39 -1.98 -2.97 114.58 113.83 3hw6 h GLU 165 Ca -0.57 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.13 3hw6 h GLU 165 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3hw6 h GLU 165 CO 0.52 0.39 0.00 0.39 -1.16 0.00 0.00 179.01 179.14 3hw6 n GLU 166 N -3.98 0.86 -0.01 2.33 1.02 -1.26 -1.83 120.64 117.77 3hw6 n GLU 166 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3hw6 n GLU 166 Cb 0.43 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.32 3hw6 n GLU 166 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hw6 n SER 167 N -0.99 3.84 0.04 1.62 2.88 -1.13 -4.10 113.62 115.77 3hw6 n SER 167 Ca 0.20 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.61 3hw6 n SER 167 Cb 0.09 0.97 -0.02 0.00 -0.75 0.00 0.00 64.21 64.50 3hw6 n SER 167 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3hw6 h ARG 168 N 0.00 0.52 -0.63 -1.46 3.08 -1.58 -3.10 114.38 111.21 3hw6 h ARG 168 Ca -0.05 -0.47 0.08 0.00 0.07 0.00 0.00 59.98 59.61 3hw6 h ARG 168 Cb 0.68 0.11 -0.11 0.00 0.08 0.00 0.00 29.97 30.73 3hw6 h ARG 168 CO 0.00 1.10 -0.50 0.00 -1.07 0.00 0.00 179.97 179.51 3hw6 h ALA 169 N 0.76 -0.47 0.25 0.04 0.00 -1.57 0.15 119.26 118.42 3hw6 h ALA 169 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hw6 h ALA 169 Cb 1.43 1.09 -0.04 0.00 0.00 0.00 0.00 17.79 20.27 3hw6 h ALA 169 CO 0.15 -0.91 -0.47 0.00 0.00 0.00 0.00 179.25 178.02 3hw6 h ARG 170 N -0.22 -0.77 -0.79 0.00 3.08 -1.71 0.26 114.38 114.23 3hw6 h ARG 170 Ca 0.16 0.05 0.19 0.00 0.07 0.00 0.00 59.98 60.44 3hw6 h ARG 170 Cb 0.55 0.17 -0.12 0.00 0.08 0.00 0.00 29.97 30.65 3hw6 h ARG 170 CO -0.73 -0.51 0.19 0.82 -1.07 0.00 0.00 179.97 178.68 3hw6 h ILE 171 N -0.80 0.44 -0.15 2.04 2.04 -1.38 0.23 117.51 119.94 3hw6 h ILE 171 Ca -0.01 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.68 3hw6 h ILE 171 Cb 0.76 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3hw6 h ILE 171 CO -0.19 0.05 -0.26 0.11 0.00 0.00 0.00 178.15 177.86 3hw6 h LYS 172 N 0.25 0.27 0.04 2.37 1.57 0.73 -2.87 116.57 118.92 3hw6 h LYS 172 Ca 0.46 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.15 3hw6 h LYS 172 Cb 0.85 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3hw6 h LYS 172 CO -0.57 0.51 -0.02 1.15 -0.57 0.00 0.00 179.45 179.96 3hw6 h THR 173 N 0.24 1.35 0.00 -0.16 2.02 0.27 -2.52 112.91 114.10 3hw6 h THR 173 Ca 0.04 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.86 3hw6 h THR 173 Cb 0.59 2.22 -0.00 0.00 -1.74 0.00 0.00 68.15 69.22 3hw6 h THR 173 CO 0.04 0.33 -0.09 -0.09 0.37 0.00 0.00 175.52 176.08 3hw6 h ARG 174 N -0.65 0.00 -0.02 6.66 9.65 -1.07 0.30 114.38 129.26 3hw6 h ARG 174 Ca -0.01 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.72 3hw6 h ARG 174 Cb 0.58 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.18 3hw6 h ARG 174 CO 0.01 0.09 -0.60 -0.07 2.80 0.00 0.00 179.97 182.20 3hw6 h LEU 175 N 0.00 0.55 -0.61 3.80 3.38 -1.55 -1.23 115.31 119.65 3hw6 h LEU 175 Ca -0.00 -0.74 -0.11 0.00 0.09 0.00 0.00 57.88 57.12 3hw6 h LEU 175 Cb 0.21 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hw6 h LEU 175 CO 0.01 1.22 -0.08 0.15 0.09 0.00 0.00 178.44 179.83 3hw6 h PHE 176 N -0.06 1.12 -0.33 1.13 3.57 -0.33 0.30 116.94 122.34 3hw6 h PHE 176 Ca -0.07 -0.22 0.07 0.00 3.53 0.00 0.00 57.97 61.28 3hw6 h PHE 176 Cb 1.30 -0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 3hw6 h PHE 176 CO 0.14 1.03 -0.17 1.15 -2.23 0.00 0.00 178.31 178.24 3hw6 h THR 177 N 0.91 0.50 0.55 4.41 2.02 -0.53 -2.18 112.91 118.59 3hw6 h THR 177 Ca 0.15 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3hw6 h THR 177 Cb 0.64 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3hw6 h THR 177 CO 0.04 0.00 -0.32 0.40 0.37 0.00 0.00 175.52 176.02 3hw6 h ILE 178 N -0.11 0.35 -1.32 3.11 2.04 -0.81 -3.03 117.51 117.74 3hw6 h ILE 178 Ca 0.17 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.41 3hw6 h ILE 178 Cb 0.37 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3hw6 h ILE 178 CO -0.41 0.00 0.95 -1.14 0.00 0.00 0.00 178.15 177.55 3hw6 n ARG 179 N -5.46 0.00 -0.02 2.37 0.00 0.10 0.60 116.66 114.26 3hw6 n ARG 179 Ca -0.12 0.72 -0.17 0.00 -0.00 0.00 0.00 57.85 58.28 3hw6 n ARG 179 Cb 0.35 -1.66 -0.14 0.00 0.00 0.00 0.00 32.46 31.01 3hw6 n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hw6 n GLN 180 N -3.27 0.71 0.09 -0.14 -0.00 -1.03 -4.03 117.38 109.71 3hw6 n GLN 180 Ca 0.30 0.25 0.00 0.00 -0.00 0.00 0.00 57.00 57.56 3hw6 n GLN 180 Cb 1.35 -1.71 0.32 0.00 -0.00 0.00 0.00 30.24 30.19 3hw6 n GLN 180 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 3hw6 h GLU 181 N 0.04 0.30 -1.09 2.61 4.39 0.16 2.35 114.58 123.35 3hw6 h GLU 181 Ca -0.40 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3hw6 h GLU 181 Cb 2.03 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 3hw6 h GLU 181 CO 0.07 0.49 0.00 -0.12 -1.16 0.00 0.00 179.01 178.29 3hw6 n MET 182 N -4.20 0.71 0.00 2.33 1.56 -0.51 -2.69 117.12 114.32 3hw6 n MET 182 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.42 3hw6 n MET 182 Cb 0.33 -1.22 0.00 0.00 2.15 0.00 0.00 33.22 34.48 3hw6 n MET 182 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3hw6 n ALA 183 N 0.47 0.45 1.72 -5.12 0.00 0.46 0.43 120.51 118.93 3hw6 n ALA 183 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3hw6 n ALA 183 Cb 0.29 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.88 3hw6 n ALA 183 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3hw6 n SER 184 N -1.17 0.49 0.00 0.00 2.88 0.77 -1.76 113.62 114.82 3hw6 n SER 184 Ca 0.00 -1.89 0.00 0.00 -1.33 0.00 0.00 58.87 55.65 3hw6 n SER 184 Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 3hw6 n SER 184 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3hw6 n ARG 185 N -0.28 0.36 0.00 -1.46 1.74 -1.19 -4.97 116.66 110.85 3hw6 n ARG 185 Ca 0.06 -0.51 0.00 0.00 -0.77 0.00 0.00 57.85 56.62 3hw6 n ARG 185 Cb 0.09 -0.67 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3hw6 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw6 n GLY 186 N -0.09 0.84 0.13 -0.13 0.00 -0.72 -4.17 105.19 101.04 3hw6 n GLY 186 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3hw6 n GLY 186 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hw6 h LEU 187 N 0.00 0.47 0.00 0.99 -0.00 -1.70 -3.41 115.31 111.66 3hw6 h LEU 187 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 57.88 56.98 3hw6 h LEU 187 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 40.51 3hw6 h LEU 187 CO 0.00 1.57 0.00 1.87 -0.00 0.00 0.00 178.44 181.88 3hw6 n TRP 188 N -3.94 0.00 -0.09 1.13 -0.00 1.49 -4.22 117.44 111.81 3hw6 n TRP 188 Ca -0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.29 3hw6 n TRP 188 Cb 0.91 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 32.22 3hw6 n TRP 188 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 3hw6 n ASP 189 N -0.39 0.84 0.00 5.87 9.92 -1.26 -3.13 116.55 128.40 3hw6 n ASP 189 Ca 0.00 -1.28 0.00 0.00 -0.53 0.00 0.00 54.79 52.98 3hw6 n ASP 189 Cb 0.00 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.30 3hw6 n ASP 189 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3hw6 n SER 190 N 2.06 1.86 0.45 -2.24 2.88 -1.26 -4.91 113.62 112.45 3hw6 n SER 190 Ca 0.01 -0.09 -0.18 0.00 -1.33 0.00 0.00 58.87 57.28 3hw6 n SER 190 Cb 0.09 0.55 -0.08 0.00 -0.75 0.00 0.00 64.21 64.01 3hw6 n SER 190 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3hw6 h PHE 191 N 0.00 -1.07 -0.92 0.66 3.57 -1.86 -3.32 116.94 114.00 3hw6 h PHE 191 Ca 0.00 -0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.71 3hw6 h PHE 191 Cb 0.00 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 3hw6 h PHE 191 CO 0.00 -0.67 0.63 0.07 -2.23 0.00 0.00 178.31 176.11 3hw6 h ARG 192 N -1.26 0.23 0.00 1.11 0.11 -1.89 -0.29 114.38 112.39 3hw6 h ARG 192 Ca -0.12 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.95 3hw6 h ARG 192 Cb 0.89 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.91 3hw6 h ARG 192 CO 0.19 0.15 0.00 1.04 0.10 0.00 0.00 179.97 181.45 3hw6 n GLN 193 N -4.42 0.20 -0.08 0.08 6.02 -1.25 -4.10 117.38 113.84 3hw6 n GLN 193 Ca 0.20 0.03 -0.16 0.00 -0.01 0.00 0.00 57.00 57.05 3hw6 n GLN 193 Cb 0.84 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 30.48 3hw6 n GLN 193 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hw6 h SER 194 N 0.00 0.00 -0.57 1.08 4.64 -1.18 -3.46 113.55 114.06 3hw6 h SER 194 Ca 0.00 -0.72 -0.52 0.00 -0.47 0.00 0.00 61.79 60.08 3hw6 h SER 194 Cb 0.36 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.40 3hw6 h SER 194 CO 0.00 1.18 1.67 -0.62 -0.87 0.00 0.00 176.83 178.19 3hw6 n GLU 195 N -4.54 0.40 0.00 4.77 1.02 -1.26 -4.87 120.64 116.16 3hw6 n GLU 195 Ca -0.19 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3hw6 n GLU 195 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3hw6 n GLU 195 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3hw6 n ARG 196 N 8.56 0.00 0.00 3.49 0.63 -1.26 -5.11 116.66 122.97 3hw6 n ARG 196 Ca 0.55 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 3hw6 n ARG 196 Cb 0.19 -0.10 0.00 0.00 0.45 0.00 0.00 32.46 33.01 3hw6 n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53