#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw6 s GLY -1 N 0.00 1.61 0.04 -3.96 0.00 -1.26 -5.05 107.32 98.71 3hw6 s GLY -1 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 3hw6 s GLY -1 CO 0.00 0.05 1.01 -0.45 0.00 0.00 0.00 173.10 173.72 3hw6 s SER 0 N -4.22 7.36 0.43 1.64 0.15 -1.26 -4.97 113.70 112.82 3hw6 s SER 0 Ca 0.60 1.76 0.10 0.00 0.70 0.00 0.00 55.95 59.11 3hw6 s SER 0 Cb -0.12 -2.58 0.92 0.00 -1.71 0.00 0.00 66.02 62.53 3hw6 s SER 0 CO 0.52 -0.24 2.02 -0.03 1.20 0.00 0.00 173.24 176.71 3hw6 h MET 1 N 6.44 0.28 0.52 5.44 4.05 -1.96 -1.69 114.93 128.01 3hw6 h MET 1 Ca -0.42 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 58.94 3hw6 h MET 1 Cb 1.22 -0.05 0.01 0.00 -0.80 0.00 0.00 31.60 31.97 3hw6 h MET 1 CO 0.75 0.28 -0.25 1.49 0.23 0.00 0.00 176.91 179.41 3hw6 h GLU 2 N 0.28 -0.68 -0.94 0.39 4.81 -1.93 -2.08 114.58 114.43 3hw6 h GLU 2 Ca 0.07 0.05 0.14 0.00 -0.13 0.00 0.00 59.36 59.48 3hw6 h GLU 2 Cb 0.15 0.15 -0.15 0.00 0.63 0.00 0.00 28.75 29.53 3hw6 h GLU 2 CO -0.00 -0.40 -0.38 -0.25 -0.73 0.00 0.00 179.01 177.25 3hw6 n ASP 3 N -5.34 -0.63 -0.14 1.04 9.92 -0.77 -0.12 116.55 120.51 3hw6 n ASP 3 Ca -0.12 1.63 -0.10 0.00 -0.53 0.00 0.00 54.79 55.68 3hw6 n ASP 3 Cb 0.31 -0.36 -0.05 0.00 -0.64 0.00 0.00 41.12 40.38 3hw6 n ASP 3 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3hw6 h PHE 4 N 0.00 -1.30 -0.31 1.24 3.57 -1.24 -1.70 116.94 117.20 3hw6 h PHE 4 Ca 0.31 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.87 3hw6 h PHE 4 Cb 0.55 0.63 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3hw6 h PHE 4 CO -0.83 -0.44 0.12 0.28 -2.23 0.00 0.00 178.31 175.21 3hw6 h VAL 5 N -0.32 1.18 0.00 1.41 2.07 0.21 -0.27 116.25 120.53 3hw6 h VAL 5 Ca 0.14 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3hw6 h VAL 5 Cb 0.58 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3hw6 h VAL 5 CO -0.59 0.20 0.00 0.54 0.02 0.00 0.00 177.57 177.74 3hw6 n ARG 6 N -4.72 0.06 -0.12 1.57 1.74 0.20 -1.79 116.66 113.60 3hw6 n ARG 6 Ca -0.02 0.14 -0.25 0.00 -0.77 0.00 0.00 57.85 56.95 3hw6 n ARG 6 Cb 0.14 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 3hw6 n ARG 6 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hw6 n GLN 7 N -1.46 0.51 0.00 5.56 6.02 -0.65 -4.68 117.38 122.68 3hw6 n GLN 7 Ca 0.06 0.22 0.12 0.00 -0.01 0.00 0.00 57.00 57.38 3hw6 n GLN 7 Cb 0.23 -1.36 0.19 0.00 1.02 0.00 0.00 30.24 30.32 3hw6 n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hw6 s PHE 9 N -2.84 3.56 0.24 0.00 0.40 -0.74 -5.07 117.98 113.52 3hw6 s PHE 9 Ca 0.14 0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 56.67 3hw6 s PHE 9 Cb 0.18 -1.94 -0.10 0.00 0.51 0.00 0.00 43.02 41.67 3hw6 s PHE 9 CO 0.68 0.60 1.37 1.21 0.70 0.00 0.00 175.22 179.78 3hw6 s ASN 10 N -1.89 6.77 0.49 1.36 2.47 -1.26 -4.78 114.94 118.10 3hw6 s ASN 10 Ca 0.29 2.56 0.22 0.00 0.42 0.00 0.00 52.86 56.35 3hw6 s ASN 10 Cb -0.13 -2.62 1.26 0.00 -1.45 0.00 0.00 41.25 38.31 3hw6 s ASN 10 CO 0.18 -0.60 1.96 -0.65 -3.72 0.00 0.00 177.10 174.27 3hw6 h PRO 11 N 4.93 0.16 -0.06 0.43 0.11 -1.96 0.12 132.00 135.74 3hw6 h PRO 11 Ca -0.46 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 3hw6 h PRO 11 Cb 1.22 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hw6 h PRO 11 CO 0.76 0.11 -0.67 1.98 -0.21 0.00 0.00 178.00 179.96 3hw6 h MET 12 N 0.17 0.24 0.00 1.05 4.05 -1.98 0.77 114.93 119.23 3hw6 h MET 12 Ca 0.31 -0.19 -0.07 0.00 -0.28 0.00 0.00 59.70 59.47 3hw6 h MET 12 Cb 0.98 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 3hw6 h MET 12 CO -0.05 0.83 -0.34 0.82 0.23 0.00 0.00 176.91 178.40 3hw6 h ILE 13 N 0.17 1.22 0.06 1.77 5.03 -1.19 -0.86 117.51 123.71 3hw6 h ILE 13 Ca -0.02 -1.16 -0.08 0.00 -0.12 0.00 0.00 64.86 63.49 3hw6 h ILE 13 Cb 1.21 1.63 0.01 0.00 -3.03 0.00 0.00 36.82 36.64 3hw6 h ILE 13 CO 0.10 0.33 -0.34 0.58 -0.68 0.00 0.00 178.15 178.14 3hw6 h VAL 14 N 0.00 1.68 -0.42 1.67 2.07 -0.47 -1.70 116.25 119.08 3hw6 h VAL 14 Ca -0.00 -2.42 0.06 0.00 0.82 0.00 0.00 66.70 65.16 3hw6 h VAL 14 Cb 0.60 3.31 -0.09 0.00 -1.52 0.00 0.00 31.29 33.59 3hw6 h VAL 14 CO 0.04 0.65 -0.49 -0.33 0.02 0.00 0.00 177.57 177.47 3hw6 h GLU 15 N -0.73 -0.34 -0.74 1.57 5.08 0.51 0.94 114.58 120.87 3hw6 h GLU 15 Ca -0.06 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.54 3hw6 h GLU 15 Cb 1.27 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.56 3hw6 h GLU 15 CO 0.06 -0.23 0.56 -0.07 -1.00 0.00 0.00 179.01 178.33 3hw6 h LEU 16 N -0.36 0.00 0.00 1.33 3.38 -1.18 -1.92 115.31 116.56 3hw6 h LEU 16 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hw6 h LEU 16 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hw6 h LEU 16 CO -0.59 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 177.88 3hw6 h ALA 17 N 1.58 0.01 -0.47 1.53 0.00 -0.18 -3.24 119.26 118.49 3hw6 h ALA 17 Ca 0.35 -0.43 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hw6 h ALA 17 Cb 1.47 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 3hw6 h ALA 17 CO -0.00 0.03 -0.38 0.93 0.00 0.00 0.00 179.25 179.83 3hw6 h GLU 18 N -1.00 -0.24 -0.02 0.00 5.08 -0.47 -1.54 114.58 116.38 3hw6 h GLU 18 Ca -0.01 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hw6 h GLU 18 Cb 0.81 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3hw6 h GLU 18 CO -0.01 -0.16 0.15 0.87 -1.00 0.00 0.00 179.01 178.86 3hw6 h LYS 19 N -0.25 0.00 0.00 2.33 1.79 -1.48 0.10 116.57 119.06 3hw6 h LYS 19 Ca 0.18 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.33 3hw6 h LYS 19 Cb 0.56 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.16 3hw6 h LYS 19 CO -0.61 0.00 -1.90 0.00 -1.08 0.00 0.00 179.45 175.86 3hw6 n ALA 20 N -2.04 1.48 0.08 3.86 0.00 -0.60 -3.22 120.51 120.07 3hw6 n ALA 20 Ca -0.02 -0.91 -0.10 0.00 0.00 0.00 0.00 53.44 52.41 3hw6 n ALA 20 Cb 0.22 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.96 3hw6 n ALA 20 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hw6 h MET 21 N 0.00 0.21 -0.17 0.00 2.86 -1.23 -3.33 114.93 113.27 3hw6 h MET 21 Ca -0.36 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.07 3hw6 h MET 21 Cb 2.07 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 33.75 3hw6 h MET 21 CO 0.07 1.02 -0.44 0.87 1.06 0.00 0.00 176.91 179.48 3hw6 h LYS 22 N 0.10 -0.46 0.00 1.72 1.57 -0.90 -1.44 116.57 117.16 3hw6 h LYS 22 Ca -0.06 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3hw6 h LYS 22 Cb 1.62 0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.04 3hw6 h LYS 22 CO 0.15 -0.31 0.00 -0.85 -0.57 0.00 0.00 179.45 177.87 3hw6 n GLU 23 N -5.43 0.01 -0.25 3.15 0.28 -1.20 0.11 120.64 117.32 3hw6 n GLU 23 Ca -0.04 0.37 0.11 0.00 -0.16 0.00 0.00 57.16 57.44 3hw6 n GLU 23 Cb 0.36 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 31.97 3hw6 n GLU 23 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 3hw6 n TYR 24 N -1.48 0.65 -0.98 -1.84 4.02 -0.62 -4.95 117.16 111.96 3hw6 n TYR 24 Ca 0.02 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 3hw6 n TYR 24 Cb 0.07 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.39 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 1.42 0.45 3.90 2.72 0.00 0.12 -5.02 105.19 108.78 3hw6 n GLY 25 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.43 3.30 -0.05 1.61 2.02 -0.85 -4.99 118.70 119.31 3hw6 s GLU 26 Ca 0.00 0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.33 3hw6 s GLU 26 Cb 0.00 -2.24 -0.01 0.00 0.10 0.00 0.00 34.13 31.98 3hw6 s GLU 26 CO 0.00 -0.52 -0.21 0.34 0.02 0.00 0.00 175.26 174.89 3hw6 s ASP 27 N -4.21 2.65 0.10 -0.19 3.68 -1.26 -3.92 116.67 113.52 3hw6 s ASP 27 Ca 0.52 -0.44 -0.22 0.00 2.13 0.00 0.00 52.55 54.54 3hw6 s ASP 27 Cb -0.11 -0.78 -0.12 0.00 -1.45 0.00 0.00 42.92 40.46 3hw6 s ASP 27 CO 0.48 0.19 1.75 -0.65 0.13 0.00 0.00 175.17 177.07 3hw6 h PRO 28 N 6.22 0.09 -0.97 4.34 0.11 -1.95 0.79 132.00 140.63 3hw6 h PRO 28 Ca -0.31 -0.01 0.23 0.00 0.11 0.00 0.00 66.00 66.03 3hw6 h PRO 28 Cb 1.18 -0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 3hw6 h PRO 28 CO 0.47 0.06 0.53 0.87 -0.21 0.00 0.00 178.00 179.72 3hw6 h LYS 29 N 0.09 0.52 0.03 1.05 1.57 -1.97 -2.64 116.57 115.23 3hw6 h LYS 29 Ca 0.02 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 3hw6 h LYS 29 Cb -0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 3hw6 h LYS 29 CO -0.01 0.34 -0.86 0.82 -0.57 0.00 0.00 179.45 179.18 3hw6 h ILE 30 N 0.53 1.26 -3.23 1.86 5.03 -1.92 -3.39 117.51 117.64 3hw6 h ILE 30 Ca 0.61 -2.30 -0.73 0.00 -0.12 0.00 0.00 64.86 62.32 3hw6 h ILE 30 Cb 1.15 2.76 -0.33 0.00 -3.03 0.00 0.00 36.82 37.37 3hw6 h ILE 30 CO -0.49 0.52 0.12 -0.62 -0.68 0.00 0.00 178.15 177.00 3hw6 n GLU 31 N -4.36 3.09 -0.05 2.37 -0.58 0.27 -4.91 120.64 116.47 3hw6 n GLU 31 Ca -0.22 -4.50 -0.14 0.00 -0.42 0.00 0.00 57.16 51.87 3hw6 n GLU 31 Cb 0.67 -2.45 -0.08 0.00 -0.57 0.00 0.00 31.44 29.02 3hw6 n GLU 31 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hw6 h THR 32 N 3.79 1.37 -0.47 2.62 1.35 -1.69 -2.12 112.91 117.76 3hw6 h THR 32 Ca 0.18 -1.60 -0.01 0.00 -0.55 0.00 0.00 66.41 64.43 3hw6 h THR 32 Cb 0.79 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 69.23 3hw6 h THR 32 CO 0.96 0.48 0.27 0.78 -0.25 0.00 0.00 175.52 177.76 3hw6 h ASN 33 N 0.06 0.58 -0.75 5.36 2.35 -1.91 -0.95 115.58 120.32 3hw6 h ASN 33 Ca -0.00 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3hw6 h ASN 33 Cb 0.93 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.12 3hw6 h ASN 33 CO 0.07 0.48 0.42 0.11 -1.65 0.00 0.00 177.43 176.86 3hw6 h LYS 34 N 0.62 1.05 -0.37 0.81 1.57 -1.95 0.47 116.57 118.77 3hw6 h LYS 34 Ca 0.17 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3hw6 h LYS 34 Cb 0.02 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 3hw6 h LYS 34 CO -0.03 0.76 0.11 0.35 -0.57 0.00 0.00 179.45 180.07 3hw6 h PHE 35 N 1.06 0.18 0.40 -1.35 -0.00 -1.01 0.14 116.94 116.37 3hw6 h PHE 35 Ca 0.27 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 58.24 3hw6 h PHE 35 Cb 0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 35.94 3hw6 h PHE 35 CO 0.01 0.06 -0.19 0.00 -0.00 0.00 0.00 178.31 178.18 3hw6 h ALA 36 N 1.26 -0.54 0.00 2.41 0.00 -0.15 -2.35 119.26 119.88 3hw6 h ALA 36 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hw6 h ALA 36 Cb 0.18 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hw6 h ALA 36 CO -0.20 -0.73 -0.08 0.00 0.00 0.00 0.00 179.25 178.24 3hw6 h ALA 37 N -0.15 1.11 0.56 0.00 0.00 -0.96 -2.14 119.26 117.68 3hw6 h ALA 37 Ca -0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3hw6 h ALA 37 Cb 0.49 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hw6 h ALA 37 CO 0.09 0.10 -0.27 0.82 0.00 0.00 0.00 179.25 179.99 3hw6 h ILE 38 N 0.00 0.00 -1.07 0.00 5.03 -0.80 -2.97 117.51 117.70 3hw6 h ILE 38 Ca -0.00 -0.39 0.29 0.00 -0.12 0.00 0.00 64.86 64.65 3hw6 h ILE 38 Cb 0.39 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.07 3hw6 h ILE 38 CO 0.01 0.00 0.67 0.00 -0.68 0.00 0.00 178.15 178.15 3hw6 h THR 40 N 0.38 0.29 -0.52 0.00 2.02 -1.49 -0.11 112.91 113.48 3hw6 h THR 40 Ca 0.66 -0.29 0.10 0.00 0.77 0.00 0.00 66.41 67.65 3hw6 h THR 40 Cb 1.62 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 68.30 3hw6 h THR 40 CO -0.39 0.03 -0.27 -0.74 0.37 0.00 0.00 175.52 174.52 3hw6 h HIS 41 N -1.03 -0.71 -0.33 3.16 6.17 -1.06 0.13 115.15 121.48 3hw6 h HIS 41 Ca -0.08 0.06 0.07 0.00 0.71 0.00 0.00 60.37 61.13 3hw6 h HIS 41 Cb 0.67 0.39 -0.08 0.00 2.52 0.00 0.00 27.41 30.91 3hw6 h HIS 41 CO -0.00 -0.34 -0.25 -0.07 0.71 0.00 0.00 177.93 177.98 3hw6 h LEU 42 N -0.15 -0.82 -1.57 0.26 4.07 -1.16 -1.51 115.31 114.44 3hw6 h LEU 42 Ca 0.23 0.16 -0.05 0.00 0.08 0.00 0.00 57.88 58.30 3hw6 h LEU 42 Cb 0.51 0.40 -0.01 0.00 1.08 0.00 0.00 40.66 42.64 3hw6 h LEU 42 CO -0.60 -0.27 -0.23 -0.08 -1.08 0.00 0.00 178.44 176.18 3hw6 h GLU 43 N -0.21 0.00 -0.32 1.13 4.81 0.54 -1.45 114.58 119.09 3hw6 h GLU 43 Ca 0.16 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 3hw6 h GLU 43 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3hw6 h GLU 43 CO -0.45 0.23 -0.32 0.28 -0.73 0.00 0.00 179.01 178.02 3hw6 h VAL 44 N 0.00 1.28 -0.15 0.32 2.07 -0.22 -2.08 116.25 117.46 3hw6 h VAL 44 Ca -0.00 -1.45 -0.12 0.00 0.82 0.00 0.00 66.70 65.95 3hw6 h VAL 44 Cb 0.42 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3hw6 h VAL 44 CO 0.03 0.47 -0.42 0.00 0.02 0.00 0.00 177.57 177.67 3hw6 h PHE 46 N 0.29 0.00 0.03 0.00 0.04 -1.50 -3.28 116.94 112.52 3hw6 h PHE 46 Ca 0.02 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 3hw6 h PHE 46 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.02 3hw6 h PHE 46 CO 0.02 0.00 -0.19 0.52 -0.60 0.00 0.00 178.31 178.07 3hw6 h MET 47 N 0.00 0.08 -0.93 1.51 2.86 -0.59 -3.35 114.93 114.51 3hw6 h MET 47 Ca 0.00 -0.12 0.29 0.00 -2.06 0.00 0.00 59.70 57.81 3hw6 h MET 47 Cb 0.86 0.04 -0.17 0.00 0.06 0.00 0.00 31.60 32.39 3hw6 h MET 47 CO 0.00 1.03 0.15 0.98 1.06 0.00 0.00 176.91 180.12 3hw6 n TYR 48 N -4.51 0.72 -1.20 -0.22 4.19 0.48 -5.08 117.16 111.55 3hw6 n TYR 48 Ca -0.11 1.11 -0.29 0.00 3.31 0.00 0.00 57.90 61.93 3hw6 n TYR 48 Cb 0.54 -1.28 0.17 0.00 0.49 0.00 0.00 39.34 39.27 3hw6 n TYR 48 CO 0.00 0.00 0.00 -1.12 0.91 0.00 0.00 176.86 176.65 3hw6 s SER 49 N -4.89 2.79 0.00 2.98 0.01 -1.25 -5.05 113.70 108.28 3hw6 s SER 49 Ca -0.11 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.37 3hw6 s SER 49 Cb 0.28 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.63 3hw6 s SER 49 CO 0.72 -3.03 0.00 -1.14 0.41 0.00 0.00 173.24 170.20 3hw6 n ARG 75 N -4.11 0.00 -4.79 12.44 0.63 -1.26 -5.16 116.66 114.41 3hw6 n ARG 75 Ca 0.05 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.66 3hw6 n ARG 75 Cb 0.57 -0.60 -0.14 0.00 0.45 0.00 0.00 32.46 32.73 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 2.80 -0.27 -0.14 0.40 -1.26 -2.46 117.98 117.05 3hw6 s PHE 76 Ca 0.00 -0.60 -0.10 0.00 -0.60 0.00 0.00 56.93 55.64 3hw6 s PHE 76 Cb 0.00 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.66 3hw6 s PHE 76 CO 0.00 -0.17 0.14 -2.00 0.70 0.00 0.00 175.22 173.89 3hw6 s GLU 77 N 0.25 3.84 -0.24 0.44 2.56 -1.10 -5.01 118.70 119.44 3hw6 s GLU 77 Ca -0.09 -0.38 -0.24 0.00 0.00 0.00 0.00 54.97 54.26 3hw6 s GLU 77 Cb -0.15 -3.53 -0.01 0.00 2.00 0.00 0.00 34.13 32.44 3hw6 s GLU 77 CO 0.05 -0.17 0.79 0.42 -0.56 0.00 0.00 175.26 175.79 3hw6 s ILE 78 N 1.68 4.87 -0.19 -3.70 1.01 -1.26 -2.21 121.20 121.39 3hw6 s ILE 78 Ca 0.07 1.50 -0.11 0.00 0.00 0.00 0.00 60.65 62.11 3hw6 s ILE 78 Cb -0.16 -4.09 -0.21 0.00 0.01 0.00 0.00 42.46 38.02 3hw6 s ILE 78 CO 0.08 -0.04 0.13 -0.38 0.00 0.00 0.00 174.94 174.73 3hw6 n ILE 79 N 5.18 1.63 -1.90 2.92 2.08 -0.08 -4.93 119.36 124.26 3hw6 n ILE 79 Ca 0.04 -0.41 -0.37 0.00 0.56 0.00 0.00 62.75 62.58 3hw6 n ILE 79 Cb 0.48 -1.81 0.04 0.00 -0.75 0.00 0.00 39.64 37.60 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 -2.48 2.96 -0.73 0.38 2.56 -0.61 -3.60 118.70 117.18 3hw6 s GLU 80 Ca -0.29 2.00 -0.03 0.00 0.00 0.00 0.00 54.97 56.65 3hw6 s GLU 80 Cb 0.08 -2.03 0.00 0.00 2.00 0.00 0.00 34.13 34.18 3hw6 s GLU 80 CO 0.65 -1.26 0.42 0.41 -0.56 0.00 0.00 175.26 174.92 3hw6 n GLY 81 N 0.67 0.14 3.46 -1.50 0.00 -1.26 -5.05 105.19 101.65 3hw6 n GLY 81 Ca 0.13 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3hw6 n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hw6 s ARG 82 N -5.34 1.88 0.40 1.61 1.70 -1.24 -5.08 118.95 112.89 3hw6 s ARG 82 Ca 0.21 -2.13 -0.24 0.00 -0.47 0.00 0.00 55.73 53.09 3hw6 s ARG 82 Cb -0.09 -0.42 -0.11 0.00 -0.57 0.00 0.00 34.95 33.76 3hw6 s ARG 82 CO 0.26 -0.51 0.95 -0.25 -1.08 0.00 0.00 175.30 174.67 3hw6 n ASP 83 N -1.32 0.98 -0.13 -2.89 9.92 -1.26 -4.76 116.55 117.09 3hw6 n ASP 83 Ca -0.03 1.04 -0.04 0.00 -0.53 0.00 0.00 54.79 55.22 3hw6 n ASP 83 Cb 0.64 -1.31 0.04 0.00 -0.64 0.00 0.00 41.12 39.85 3hw6 n ASP 83 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3hw6 h ARG 84 N 1.49 0.17 0.36 -1.24 3.08 -1.98 0.30 114.38 116.56 3hw6 h ARG 84 Ca -0.43 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 3hw6 h ARG 84 Cb 1.35 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3hw6 h ARG 84 CO 0.57 0.12 -0.17 1.15 -1.07 0.00 0.00 179.97 180.56 3hw6 h THR 85 N 0.18 0.66 0.12 2.04 2.02 -1.99 -1.79 112.91 114.15 3hw6 h THR 85 Ca 0.20 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hw6 h THR 85 Cb 0.26 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3hw6 h THR 85 CO -0.29 0.06 -0.15 -0.03 0.37 0.00 0.00 175.52 175.48 3hw6 h MET 86 N -0.64 -0.27 -0.61 6.66 1.85 -1.93 -1.98 114.93 118.02 3hw6 h MET 86 Ca -0.05 0.02 0.05 0.00 -0.61 0.00 0.00 59.70 59.11 3hw6 h MET 86 Cb 0.46 0.06 -0.07 0.00 0.43 0.00 0.00 31.60 32.48 3hw6 h MET 86 CO 0.08 -0.18 -0.36 0.00 -0.40 0.00 0.00 176.91 176.05 3hw6 n ALA 87 N -2.46 -0.39 -0.36 0.39 0.00 0.10 -0.93 120.51 116.87 3hw6 n ALA 87 Ca -0.03 0.52 0.01 0.00 0.00 0.00 0.00 53.44 53.94 3hw6 n ALA 87 Cb 0.13 -0.06 0.16 0.00 0.00 0.00 0.00 19.45 19.68 3hw6 n ALA 87 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3hw6 h TRP 88 N 0.00 1.21 -0.96 0.00 4.06 -1.25 -2.23 115.95 116.77 3hw6 h TRP 88 Ca 0.10 0.03 0.11 0.00 2.06 0.00 0.00 58.89 61.19 3hw6 h TRP 88 Cb 0.25 -0.40 -0.08 0.00 -1.00 0.00 0.00 29.16 27.93 3hw6 h TRP 88 CO -0.67 0.68 0.62 1.79 -3.56 0.00 0.00 178.44 177.29 3hw6 h THR 89 N 1.23 0.95 0.20 1.49 1.35 -0.24 0.18 112.91 118.07 3hw6 h THR 89 Ca 0.41 -0.33 -0.32 0.00 -0.55 0.00 0.00 66.41 65.61 3hw6 h THR 89 Cb 0.06 -0.10 0.02 0.00 -1.73 0.00 0.00 68.15 66.40 3hw6 h THR 89 CO -0.14 0.18 -1.48 1.62 -0.25 0.00 0.00 175.52 175.44 3hw6 h VAL 90 N 0.96 1.25 -0.83 6.82 3.04 -1.46 -2.34 116.25 123.70 3hw6 h VAL 90 Ca 0.46 -2.77 0.17 0.00 -1.01 0.00 0.00 66.70 63.56 3hw6 h VAL 90 Cb 0.45 2.94 -0.06 0.00 -2.01 0.00 0.00 31.29 32.61 3hw6 h VAL 90 CO -0.22 0.84 0.55 0.58 -1.01 0.00 0.00 177.57 178.31 3hw6 h VAL 91 N 0.11 0.75 -0.07 1.51 2.07 -0.57 -0.48 116.25 119.57 3hw6 h VAL 91 Ca -0.24 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 66.96 3hw6 h VAL 91 Cb 2.10 0.26 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 3hw6 h VAL 91 CO 0.23 0.08 -0.61 0.78 0.02 0.00 0.00 177.57 178.07 3hw6 h ASN 92 N 0.45 0.66 0.00 0.57 -0.26 -0.69 -1.63 115.58 114.68 3hw6 h ASN 92 Ca 0.42 -0.68 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 3hw6 h ASN 92 Cb 0.97 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 38.03 3hw6 h ASN 92 CO -0.15 1.24 0.00 -1.54 -1.06 0.00 0.00 177.43 175.91 3hw6 n SER 93 N -4.16 1.21 0.00 5.81 3.41 -0.19 -2.04 113.62 117.65 3hw6 n SER 93 Ca -0.09 -1.07 0.00 0.00 -0.26 0.00 0.00 58.87 57.45 3hw6 n SER 93 Cb 0.66 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3hw6 n SER 93 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3hw6 n ILE 94 N 1.50 0.00 0.21 -1.33 5.41 -1.22 -4.57 119.36 119.37 3hw6 n ILE 94 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.89 3hw6 n ILE 94 Cb 0.13 0.00 0.71 0.00 -0.71 0.00 0.00 39.64 39.78 3hw6 n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hw6 n ASN 96 N -2.43 0.30 -1.06 0.00 2.04 -1.17 -4.44 115.26 108.49 3hw6 n ASN 96 Ca -0.02 -0.21 0.07 0.00 -0.44 0.00 0.00 54.58 53.98 3hw6 n ASN 96 Cb 0.05 0.49 0.23 0.00 -2.53 0.00 0.00 39.78 38.02 3hw6 n ASN 96 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 3hw6 n THR 97 N -0.51 1.00 -3.81 5.53 -1.04 -1.19 -4.88 114.28 109.38 3hw6 n THR 97 Ca 0.00 -0.74 -0.04 0.00 -2.04 0.00 0.00 64.05 61.24 3hw6 n THR 97 Cb 0.00 0.13 0.00 0.00 -1.82 0.00 0.00 70.33 68.64 3hw6 n THR 97 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hw6 s THR 98 N -1.59 0.00 0.00 12.58 -4.23 -1.17 -4.87 115.64 116.36 3hw6 s THR 98 Ca 0.34 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 60.19 3hw6 s THR 98 Cb 0.20 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3hw6 s THR 98 CO 0.19 0.00 0.96 0.61 -0.54 0.00 0.00 174.62 175.84 3hw6 n GLY 99 N -0.57 -3.03 0.54 3.99 0.00 -1.26 -4.77 105.19 100.10 3hw6 n GLY 99 Ca -0.05 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.37 3hw6 n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hw6 n VAL 100 N -2.64 0.11 -0.01 1.61 0.31 -1.26 -4.79 118.33 111.66 3hw6 n VAL 100 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3hw6 n VAL 100 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3hw6 n VAL 100 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hw6 n GLU 101 N 0.22 -0.63 -4.04 5.55 2.13 -1.26 -4.45 120.64 118.16 3hw6 n GLU 101 Ca 0.02 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.49 3hw6 n GLU 101 Cb 0.07 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.63 3hw6 n GLU 101 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3hw6 s LYS 102 N -1.65 3.37 0.54 5.31 2.36 -1.26 -4.49 119.74 123.92 3hw6 s LYS 102 Ca 0.00 -0.64 -0.18 0.00 -2.55 0.00 0.00 55.97 52.60 3hw6 s LYS 102 Cb 0.00 -2.93 -0.06 0.00 -1.05 0.00 0.00 37.83 33.79 3hw6 s LYS 102 CO 0.00 -0.13 1.06 -1.25 1.55 0.00 0.00 175.35 176.58 3hw6 s PRO 103 N 1.29 3.51 0.03 4.03 0.04 -1.26 -4.93 135.00 137.70 3hw6 s PRO 103 Ca 0.03 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 3hw6 s PRO 103 Cb -0.14 -2.05 -0.12 0.00 0.04 0.00 0.00 34.50 32.23 3hw6 s PRO 103 CO -0.03 -0.67 1.20 0.87 0.04 0.00 0.00 177.00 178.41 3hw6 h LYS 104 N 0.98 -0.75 0.00 4.56 6.56 -1.98 -3.41 116.57 122.54 3hw6 h LYS 104 Ca -0.48 0.05 -0.19 0.00 -1.06 0.00 0.00 60.65 58.96 3hw6 h LYS 104 Cb 1.23 0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 33.03 3hw6 h LYS 104 CO 0.58 -0.50 -0.93 0.74 -2.06 0.00 0.00 179.45 177.29 3hw6 h PHE 105 N -0.85 0.00 -2.40 -1.35 0.04 -1.96 -3.49 116.94 106.93 3hw6 h PHE 105 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 3hw6 h PHE 105 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3hw6 h PHE 105 CO 0.07 0.93 0.00 1.28 -0.60 0.00 0.00 178.31 179.99 3hw6 n LEU 106 N -3.38 -1.60 0.00 1.54 4.77 -1.26 -5.14 117.00 111.93 3hw6 n LEU 106 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3hw6 n LEU 106 Cb 0.89 -0.80 0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3hw6 n LEU 106 CO 0.46 0.00 0.39 -0.81 -1.33 0.00 0.00 177.39 176.10 3hw6 n PRO 107 N 0.16 -0.28 0.02 3.23 -0.04 -1.26 -5.05 135.00 131.78 3hw6 n PRO 107 Ca 0.00 -1.25 -0.15 0.00 -0.04 0.00 0.00 63.50 62.06 3hw6 n PRO 107 Cb 0.00 -0.56 -0.14 0.00 -0.04 0.00 0.00 33.50 32.76 3hw6 n PRO 107 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3hw6 h ASP 108 N -0.66 0.27 -4.32 3.54 3.32 -0.59 -3.39 116.42 114.59 3hw6 h ASP 108 Ca -0.20 -0.48 -0.38 0.00 0.02 0.00 0.00 57.03 55.99 3hw6 h ASP 108 Cb 0.64 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 3hw6 h ASP 108 CO 0.17 1.41 -0.33 0.18 -1.72 0.00 0.00 179.24 178.95 3hw6 n LEU 109 N -3.34 0.00 -3.87 1.55 4.77 -0.42 -0.91 117.00 114.79 3hw6 n LEU 109 Ca -0.20 -2.76 -0.12 0.00 -0.03 0.00 0.00 56.01 52.90 3hw6 n LEU 109 Cb 1.04 1.74 -0.13 0.00 -2.33 0.00 0.00 43.42 43.75 3hw6 n LEU 109 CO 0.47 -0.51 -0.28 -0.47 -1.33 0.00 0.00 177.39 175.27 3hw6 s TYR 110 N -3.18 -0.02 -0.53 -1.77 5.04 -0.94 -2.09 117.35 113.86 3hw6 s TYR 110 Ca 0.33 0.07 -0.10 0.00 -2.44 0.00 0.00 57.07 54.92 3hw6 s TYR 110 Cb 0.01 -0.01 0.13 0.00 0.35 0.00 0.00 41.96 42.45 3hw6 s TYR 110 CO 0.23 -0.08 0.42 0.34 -1.34 0.00 0.00 175.55 175.12 3hw6 s ASP 111 N -0.29 5.86 0.06 4.32 3.68 0.66 -2.72 116.67 128.23 3hw6 s ASP 111 Ca -0.03 -2.04 -0.27 0.00 2.13 0.00 0.00 52.55 52.34 3hw6 s ASP 111 Cb -0.02 -2.05 -0.13 0.00 -1.45 0.00 0.00 42.92 39.26 3hw6 s ASP 111 CO 0.00 -0.69 1.43 1.88 0.13 0.00 0.00 175.17 177.92 3hw6 h TYR 112 N 8.36 -1.08 -0.66 -5.34 0.05 -1.76 1.33 116.97 117.88 3hw6 h TYR 112 Ca -0.18 0.01 0.11 0.00 0.05 0.00 0.00 58.73 58.72 3hw6 h TYR 112 Cb 1.07 0.42 -0.08 0.00 1.01 0.00 0.00 36.73 39.14 3hw6 h TYR 112 CO 0.70 -0.52 0.23 -0.22 -1.05 0.00 0.00 178.16 177.30 3hw6 h LYS 113 N -0.78 0.38 -0.11 4.88 3.11 -1.94 0.25 116.57 122.37 3hw6 h LYS 113 Ca -0.05 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.77 3hw6 h LYS 113 Cb 0.67 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 31.82 3hw6 h LYS 113 CO -0.04 0.25 0.00 0.39 -2.81 0.00 0.00 179.45 177.24 3hw6 n GLU 114 N -5.02 1.68 -4.05 1.90 -0.58 -1.22 -4.99 120.64 108.37 3hw6 n GLU 114 Ca 0.11 -1.02 -0.36 0.00 -0.42 0.00 0.00 57.16 55.47 3hw6 n GLU 114 Cb 0.33 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 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 0.23 -2.25 -3.92 1.62 3.02 0.44 -4.99 115.26 109.41 3hw6 n ASN 115 Ca 0.17 -1.19 -0.09 0.00 -0.03 0.00 0.00 54.58 53.44 3hw6 n ASN 115 Cb 0.33 -2.21 -0.07 0.00 -0.61 0.00 0.00 39.78 37.22 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 -7.01 0.97 0.20 3.52 1.70 0.09 -4.92 118.95 113.51 3hw6 s ARG 116 Ca 0.27 -1.08 -0.05 0.00 -0.47 0.00 0.00 55.73 54.40 3hw6 s ARG 116 Cb -0.13 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.54 3hw6 s ARG 116 CO 0.94 -0.33 0.44 -0.06 -1.08 0.00 0.00 175.30 175.22 3hw6 s PHE 117 N -3.92 3.47 -0.03 5.89 0.40 -1.26 0.24 117.98 122.77 3hw6 s PHE 117 Ca 0.11 0.58 0.02 0.00 -0.60 0.00 0.00 56.93 57.04 3hw6 s PHE 117 Cb 0.04 -2.04 0.01 0.00 0.51 0.00 0.00 43.02 41.54 3hw6 s PHE 117 CO -0.06 0.34 -0.08 0.42 0.70 0.00 0.00 175.22 176.55 3hw6 s ILE 118 N -1.81 0.68 -0.19 0.64 1.01 -0.89 -0.05 121.20 120.59 3hw6 s ILE 118 Ca 0.42 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 3hw6 s ILE 118 Cb -0.11 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.71 3hw6 s ILE 118 CO 0.26 0.22 -0.01 -1.61 0.00 0.00 0.00 174.94 173.80 3hw6 s GLU 119 N 0.28 3.62 -0.03 2.79 0.41 0.87 0.23 118.70 126.87 3hw6 s GLU 119 Ca -0.04 -0.53 -0.18 0.00 -0.41 0.00 0.00 54.97 53.81 3hw6 s GLU 119 Cb -0.09 -3.03 -0.05 0.00 -1.78 0.00 0.00 34.13 29.19 3hw6 s GLU 119 CO 0.00 0.07 0.52 0.42 -0.49 0.00 0.00 175.26 175.78 3hw6 s ILE 120 N 0.84 4.99 -0.02 -1.63 -1.09 -1.26 -0.52 121.20 122.52 3hw6 s ILE 120 Ca 0.00 1.07 0.07 0.00 -2.23 0.00 0.00 60.65 59.56 3hw6 s ILE 120 Cb -0.14 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.87 3hw6 s ILE 120 CO 0.02 0.44 -0.22 -0.83 -1.23 0.00 0.00 174.94 173.12 3hw6 s GLY 121 N -0.25 1.08 -0.03 6.18 0.00 0.13 -4.96 107.32 109.47 3hw6 s GLY 121 Ca 0.28 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 44.11 3hw6 s GLY 121 CO 0.15 -0.79 -0.20 0.14 0.00 0.00 0.00 173.10 172.40 3hw6 s VAL 122 N -0.52 2.58 0.09 1.40 1.01 -1.26 -1.93 120.40 121.77 3hw6 s VAL 122 Ca 0.08 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3hw6 s VAL 122 Cb -0.08 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3hw6 s VAL 122 CO -0.01 0.57 -0.16 0.28 0.00 0.00 0.00 175.10 175.79 3hw6 s THR 123 N -0.69 1.30 -0.07 3.92 -1.32 -0.46 -4.95 115.64 113.37 3hw6 s THR 123 Ca 0.11 -1.48 0.02 0.00 -1.21 0.00 0.00 61.69 59.13 3hw6 s THR 123 Cb -0.10 -1.31 -0.03 0.00 -1.51 0.00 0.00 72.50 69.55 3hw6 s THR 123 CO 0.00 -0.25 0.08 0.54 -2.21 0.00 0.00 174.62 172.78 3hw6 n ARG 124 N 1.01 4.31 0.00 7.08 1.74 -1.26 -3.24 116.66 126.29 3hw6 n ARG 124 Ca -0.19 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 3hw6 n ARG 124 Cb 0.55 -0.74 0.00 0.00 -1.02 0.00 0.00 32.46 31.24 3hw6 n ARG 124 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hw6 n ARG 125 N -1.22 3.10 -1.86 5.56 1.74 -1.26 -4.93 116.66 117.80 3hw6 n ARG 125 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 3hw6 n ARG 125 Cb 0.04 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.51 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 2.95 3.27 0.09 5.56 2.12 -1.26 -4.92 118.70 126.51 3hw6 s GLU 126 Ca 0.00 2.18 0.10 0.00 0.36 0.00 0.00 54.97 57.61 3hw6 s GLU 126 Cb 0.00 -2.31 -0.18 0.00 0.26 0.00 0.00 34.13 31.90 3hw6 s GLU 126 CO 0.00 -1.06 1.10 -0.39 -0.54 0.00 0.00 175.26 174.36 3hw6 h VAL 127 N 1.57 1.28 -0.12 3.70 -1.51 -1.97 -3.09 116.25 116.11 3hw6 h VAL 127 Ca -0.51 -2.97 -0.01 0.00 -1.23 0.00 0.00 66.70 61.98 3hw6 h VAL 127 Cb 1.29 2.62 -0.01 0.00 -2.13 0.00 0.00 31.29 33.06 3hw6 h VAL 127 CO 0.58 0.73 0.04 -0.74 -1.23 0.00 0.00 177.57 176.95 3hw6 h HIS 128 N 0.00 0.20 0.14 5.19 6.17 -1.96 -0.14 115.15 124.75 3hw6 h HIS 128 Ca -0.10 -0.02 -0.01 0.00 0.71 0.00 0.00 60.37 60.96 3hw6 h HIS 128 Cb 1.77 -0.06 0.00 0.00 2.52 0.00 0.00 27.41 31.65 3hw6 h HIS 128 CO 0.00 0.32 -0.07 1.15 0.71 0.00 0.00 177.93 180.04 3hw6 h THR 129 N 0.02 0.95 -0.70 6.26 2.02 -1.98 -2.81 112.91 116.67 3hw6 h THR 129 Ca 0.04 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3hw6 h THR 129 Cb 0.21 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3hw6 h THR 129 CO -0.00 0.08 0.31 0.22 0.37 0.00 0.00 175.52 176.50 3hw6 h TYR 130 N -0.35 1.04 -0.20 3.16 3.20 -1.43 0.03 116.97 122.42 3hw6 h TYR 130 Ca -0.02 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.81 3hw6 h TYR 130 Cb 0.28 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.19 3hw6 h TYR 130 CO -0.02 0.78 -0.34 -0.92 -1.64 0.00 0.00 178.16 176.02 3hw6 h TYR 131 N 0.99 -1.04 -0.65 -3.82 3.20 -1.00 -2.42 116.97 112.22 3hw6 h TYR 131 Ca 0.24 0.05 0.09 0.00 3.14 0.00 0.00 58.73 62.25 3hw6 h TYR 131 Cb 0.16 0.48 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3hw6 h TYR 131 CO 0.01 -0.31 0.43 -0.07 -1.64 0.00 0.00 178.16 176.58 3hw6 h LEU 132 N -0.28 0.47 0.05 2.82 3.38 -0.76 -2.06 115.31 118.92 3hw6 h LEU 132 Ca 0.04 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hw6 h LEU 132 Cb 0.38 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hw6 h LEU 132 CO -0.34 0.29 -0.05 -0.33 0.09 0.00 0.00 178.44 178.10 3hw6 h GLU 133 N 0.53 -0.10 -1.47 1.13 4.39 -0.94 -1.54 114.58 116.59 3hw6 h GLU 133 Ca 0.30 0.01 0.43 0.00 0.34 0.00 0.00 59.36 60.44 3hw6 h GLU 133 Cb 0.47 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 29.07 3hw6 h GLU 133 CO -0.09 -0.06 1.03 -0.22 -1.16 0.00 0.00 179.01 178.50 3hw6 h LYS 134 N -0.10 0.05 0.00 2.33 1.63 -0.92 0.11 116.57 119.67 3hw6 h LYS 134 Ca -0.01 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3hw6 h LYS 134 Cb 0.09 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 3hw6 h LYS 134 CO -0.01 0.03 -0.39 0.00 -3.45 0.00 0.00 179.45 175.63 3hw6 h ALA 135 N 1.33 0.81 -1.73 5.00 0.00 -0.78 -3.25 119.26 120.64 3hw6 h ALA 135 Ca 0.75 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3hw6 h ALA 135 Cb 2.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.56 3hw6 h ALA 135 CO -0.12 0.20 0.00 0.09 0.00 0.00 0.00 179.25 179.43 3hw6 n ASN 136 N -3.04 0.00 0.00 0.00 5.03 0.39 -1.04 115.26 116.60 3hw6 n ASN 136 Ca 0.02 0.50 0.00 0.00 0.87 0.00 0.00 54.58 55.97 3hw6 n ASN 136 Cb 0.60 -0.21 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 3hw6 n ASN 136 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3hw6 n LYS 137 N -1.14 0.00 -0.00 3.52 4.81 -1.17 -0.16 118.16 124.02 3hw6 n LYS 137 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 3hw6 n LYS 137 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 3hw6 n LYS 137 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 3hw6 n ILE 138 N -2.02 0.00 -3.51 3.15 -5.35 -1.23 -4.98 119.36 105.42 3hw6 n ILE 138 Ca 0.00 -0.24 -0.23 0.00 -0.27 0.00 0.00 62.75 62.01 3hw6 n ILE 138 Cb 0.00 0.42 -0.06 0.00 -1.74 0.00 0.00 39.64 38.26 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 -1.72 -0.89 0.14 6.28 4.01 0.78 -4.79 118.16 121.96 3hw6 n LYS 139 Ca -0.01 0.07 -0.13 0.00 -0.51 0.00 0.00 58.31 57.73 3hw6 n LYS 139 Cb 0.24 -2.57 -0.06 0.00 -0.51 0.00 0.00 35.03 32.12 3hw6 n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 3hw6 h SER 140 N -0.64 -0.57 0.00 4.39 4.64 -1.87 -3.46 113.55 116.05 3hw6 h SER 140 Ca -0.39 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3hw6 h SER 140 Cb 0.87 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3hw6 h SER 140 CO 0.50 -0.31 0.00 1.21 -0.87 0.00 0.00 176.83 177.36 3hw6 n GLU 141 N -5.34 0.00 0.00 4.77 0.00 -1.26 -4.25 120.64 114.56 3hw6 n GLU 141 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 3hw6 n GLU 141 Cb 0.25 -2.93 0.00 0.00 0.00 0.00 0.00 31.44 28.75 3hw6 n GLU 141 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3hw6 n LYS 142 N -0.89 0.19 -3.81 5.31 3.00 -1.26 -5.06 118.16 115.64 3hw6 n LYS 142 Ca 0.00 -0.01 -0.36 0.00 -0.00 0.00 0.00 58.31 57.94 3hw6 n LYS 142 Cb 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 35.03 34.72 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 -0.03 4.27 0.20 3.15 2.01 -1.26 -4.42 115.64 119.56 3hw6 s THR 143 Ca 0.00 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 3hw6 s THR 143 Cb 0.00 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.44 3hw6 s THR 143 CO 0.00 0.36 1.20 -2.28 -0.69 0.00 0.00 174.62 173.21 3hw6 s HIS 144 N 1.46 3.41 -0.17 4.92 2.46 0.93 -4.80 115.29 123.49 3hw6 s HIS 144 Ca 0.06 1.43 -0.04 0.00 0.47 0.00 0.00 55.06 56.98 3hw6 s HIS 144 Cb -0.15 -3.44 -0.02 0.00 -0.13 0.00 0.00 32.58 28.84 3hw6 s HIS 144 CO 0.03 -1.23 -0.04 0.42 -2.47 0.00 0.00 174.74 171.46 3hw6 s ILE 145 N -0.21 3.77 -0.11 0.89 1.01 -1.26 -0.09 121.20 125.20 3hw6 s ILE 145 Ca 0.52 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.80 3hw6 s ILE 145 Cb -0.33 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 3hw6 s ILE 145 CO 0.38 0.47 -0.18 -2.28 0.00 0.00 0.00 174.94 173.33 3hw6 s HIS 146 N 0.69 2.69 -0.03 3.97 2.46 0.32 -2.41 115.29 122.96 3hw6 s HIS 146 Ca -0.02 -0.77 0.05 0.00 0.47 0.00 0.00 55.06 54.78 3hw6 s HIS 146 Cb -0.14 -1.77 -0.01 0.00 -0.13 0.00 0.00 32.58 30.53 3hw6 s HIS 146 CO 0.02 -0.27 -0.18 0.42 -2.47 0.00 0.00 174.74 172.27 3hw6 s ILE 147 N 0.25 1.45 -0.03 0.89 -1.09 -0.77 0.20 121.20 122.11 3hw6 s ILE 147 Ca -0.12 -0.75 0.03 0.00 -2.23 0.00 0.00 60.65 57.57 3hw6 s ILE 147 Cb -0.16 -1.24 0.00 0.00 -1.58 0.00 0.00 42.46 39.49 3hw6 s ILE 147 CO 0.07 0.42 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.73 3hw6 s PHE 148 N -0.12 1.04 0.37 3.97 0.40 -0.81 -2.02 117.98 120.80 3hw6 s PHE 148 Ca -0.00 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.10 3hw6 s PHE 148 Cb -0.10 -0.74 -0.01 0.00 0.51 0.00 0.00 43.02 42.68 3hw6 s PHE 148 CO 0.01 -0.12 0.53 -1.54 0.70 0.00 0.00 175.22 174.80 3hw6 s SER 149 N 0.23 5.95 0.00 1.36 1.04 -0.34 -1.35 113.70 120.59 3hw6 s SER 149 Ca -0.04 -0.01 0.17 0.00 0.48 0.00 0.00 55.95 56.55 3hw6 s SER 149 Cb -0.09 -1.37 0.87 0.00 0.10 0.00 0.00 66.02 65.52 3hw6 s SER 149 CO 0.01 -0.50 1.51 0.49 0.98 0.00 0.00 173.24 175.73 3hw6 n PHE 150 N -1.77 0.00 -0.16 5.02 3.01 -1.20 -3.10 117.46 119.27 3hw6 n PHE 150 Ca -0.00 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.57 3hw6 n PHE 150 Cb 0.58 -0.28 0.30 0.00 -0.01 0.00 0.00 39.48 40.07 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 -1.28 0.90 0.00 4.37 -2.24 -1.26 -4.37 114.28 110.40 3hw6 n THR 151 Ca 0.08 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3hw6 n THR 151 Cb 0.14 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 1.58 2.24 3.64 3.38 0.00 -1.18 -5.03 105.19 109.82 3hw6 n GLY 152 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3hw6 n GLY 152 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw6 s GLU 153 N 0.00 0.67 0.00 1.61 2.02 -1.26 -4.88 118.70 116.86 3hw6 s GLU 153 Ca 0.00 1.28 0.00 0.00 0.02 0.00 0.00 54.97 56.27 3hw6 s GLU 153 Cb 0.00 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.52 3hw6 s GLU 153 CO 0.00 -2.78 0.00 -0.85 0.02 0.00 0.00 175.26 171.65 3hw6 n GLU 154 N -4.31 -1.44 -3.61 1.61 0.28 -1.26 -1.19 120.64 110.71 3hw6 n GLU 154 Ca 0.09 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.97 3hw6 n GLU 154 Cb 0.53 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.33 3hw6 n GLU 154 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3hw6 s MET 155 N -2.00 0.68 0.15 3.44 1.75 -0.86 -5.01 119.30 117.45 3hw6 s MET 155 Ca 0.00 0.59 0.03 0.00 -1.25 0.00 0.00 55.69 55.06 3hw6 s MET 155 Cb 0.00 0.33 -0.05 0.00 2.84 0.00 0.00 34.83 37.95 3hw6 s MET 155 CO 0.00 -0.12 -0.04 0.00 -0.65 0.00 0.00 175.02 174.21 3hw6 s ALA 156 N -0.12 1.32 -0.10 4.11 0.00 -1.26 -1.84 121.76 123.86 3hw6 s ALA 156 Ca -0.00 -1.52 -0.38 0.00 0.00 0.00 0.00 51.96 50.05 3hw6 s ALA 156 Cb -0.04 0.33 -0.16 0.00 0.00 0.00 0.00 23.12 23.25 3hw6 s ALA 156 CO -0.01 -0.24 1.59 2.41 0.00 0.00 0.00 175.76 179.51 3hw6 n THR 157 N -0.20 0.19 -1.37 0.00 -1.04 -1.01 -1.09 114.28 109.76 3hw6 n THR 157 Ca -0.09 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.77 3hw6 n THR 157 Cb 0.62 -1.13 -0.05 0.00 -1.82 0.00 0.00 70.33 67.95 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 4.26 -0.85 -3.74 -2.82 5.02 -1.26 -1.10 118.16 117.67 3hw6 n LYS 158 Ca 0.23 0.92 -0.28 0.00 -2.02 0.00 0.00 58.31 57.16 3hw6 n LYS 158 Cb 0.17 -4.94 -0.03 0.00 -0.02 0.00 0.00 35.03 30.21 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 1.17 -1.13 -2.93 7.82 0.00 -0.25 -4.94 120.51 120.26 3hw6 n ALA 159 Ca -0.12 -0.06 -0.37 0.00 0.00 0.00 0.00 53.44 52.90 3hw6 n ALA 159 Cb 0.40 -2.30 -0.12 0.00 0.00 0.00 0.00 19.45 17.43 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 -2.84 5.38 0.00 0.00 2.15 -0.26 -4.94 116.67 116.17 3hw6 s ASP 160 Ca 0.53 -0.14 0.23 0.00 0.43 0.00 0.00 52.55 53.60 3hw6 s ASP 160 Cb -0.30 -1.98 0.45 0.00 -0.30 0.00 0.00 42.92 40.79 3hw6 s ASP 160 CO 0.65 -0.03 1.41 -1.22 -0.17 0.00 0.00 175.17 175.81 3hw6 n TYR 161 N 4.89 0.36 0.00 -5.34 4.02 -1.26 -4.52 117.16 115.31 3hw6 n TYR 161 Ca -0.16 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 3hw6 n TYR 161 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 1.28 0.00 -2.78 -0.72 -1.04 -1.26 -4.75 114.28 105.01 3hw6 n THR 162 Ca 0.18 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.98 3hw6 n THR 162 Cb 0.56 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.10 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 3.42 0.67 -4.42 1.43 -1.26 -5.11 118.68 113.41 3hw6 s LEU 163 Ca 0.00 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.95 3hw6 s LEU 163 Cb 0.00 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 3hw6 s LEU 163 CO 0.00 -0.99 1.06 1.51 0.23 0.00 0.00 176.35 178.16 3hw6 s ASP 164 N -4.37 5.75 0.30 2.29 3.84 -1.26 -4.93 116.67 118.29 3hw6 s ASP 164 Ca 0.55 1.32 0.10 0.00 -0.00 0.00 0.00 52.55 54.52 3hw6 s ASP 164 Cb -0.10 -2.24 0.46 0.00 -1.38 0.00 0.00 42.92 39.66 3hw6 s ASP 164 CO 0.37 -1.17 1.68 -0.33 -0.00 0.00 0.00 175.17 175.72 3hw6 h GLU 165 N -0.53 0.06 0.91 2.11 4.39 -1.98 -1.37 114.58 118.18 3hw6 h GLU 165 Ca -0.45 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.17 3hw6 h GLU 165 Cb 1.22 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.88 3hw6 h GLU 165 CO 0.62 0.57 -0.44 1.05 -1.16 0.00 0.00 179.01 179.65 3hw6 h GLU 166 N 0.05 -1.18 -0.77 2.33 4.11 -1.99 -1.07 114.58 116.07 3hw6 h GLU 166 Ca -0.00 0.08 0.19 0.00 0.07 0.00 0.00 59.36 59.69 3hw6 h GLU 166 Cb 0.93 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 3hw6 h GLU 166 CO 0.07 -0.78 0.53 1.03 0.07 0.00 0.00 179.01 179.92 3hw6 h SER 167 N -1.25 0.22 1.92 3.06 0.87 -1.94 0.15 113.55 116.59 3hw6 h SER 167 Ca -0.12 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3hw6 h SER 167 Cb 0.94 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 3hw6 h SER 167 CO 0.21 0.10 0.00 0.03 -0.53 0.00 0.00 176.83 176.64 3hw6 h ARG 168 N 0.23 0.00 -0.21 2.24 3.08 -1.20 -3.34 114.38 115.18 3hw6 h ARG 168 Ca 0.38 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.28 3hw6 h ARG 168 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3hw6 h ARG 168 CO -0.08 0.00 -0.48 0.00 -1.07 0.00 0.00 179.97 178.33 3hw6 h ALA 169 N 2.08 0.77 -0.63 0.04 0.00 0.66 -1.50 119.26 120.68 3hw6 h ALA 169 Ca 0.00 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 3hw6 h ALA 169 Cb 0.96 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3hw6 h ALA 169 CO 0.00 0.67 0.04 0.00 0.00 0.00 0.00 179.25 179.96 3hw6 h ARG 170 N 0.44 1.08 0.23 0.00 3.08 -1.66 0.56 114.38 118.11 3hw6 h ARG 170 Ca 0.02 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3hw6 h ARG 170 Cb 1.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3hw6 h ARG 170 CO 0.09 1.02 -0.11 0.82 -1.07 0.00 0.00 179.97 180.72 3hw6 h ILE 171 N 0.99 0.79 -0.58 2.04 2.04 -1.58 0.90 117.51 122.10 3hw6 h ILE 171 Ca 0.18 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 3hw6 h ILE 171 Cb 0.51 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3hw6 h ILE 171 CO 0.02 0.02 0.09 0.11 0.00 0.00 0.00 178.15 178.39 3hw6 h LYS 172 N -0.35 0.97 -0.26 2.37 1.57 -1.11 -0.21 116.57 119.55 3hw6 h LYS 172 Ca -0.03 -0.26 0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3hw6 h LYS 172 Cb 0.27 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.39 3hw6 h LYS 172 CO 0.05 0.92 -0.41 1.15 -0.57 0.00 0.00 179.45 180.59 3hw6 h THR 173 N 0.86 0.14 -0.77 -0.16 2.02 0.26 -0.31 112.91 114.96 3hw6 h THR 173 Ca 0.18 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.43 3hw6 h THR 173 Cb 0.43 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.92 3hw6 h THR 173 CO 0.01 0.00 0.43 -0.09 0.37 0.00 0.00 175.52 176.24 3hw6 h ARG 174 N -0.41 0.73 0.00 6.66 1.12 -0.58 -0.48 114.38 121.43 3hw6 h ARG 174 Ca 0.11 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 3hw6 h ARG 174 Cb 0.60 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.39 3hw6 h ARG 174 CO -0.47 0.48 0.00 -0.07 -3.11 0.00 0.00 179.97 176.80 3hw6 h LEU 175 N 0.75 0.00 0.02 3.80 3.38 -0.57 -0.22 115.31 122.48 3hw6 h LEU 175 Ca 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 3hw6 h LEU 175 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hw6 h LEU 175 CO -0.22 0.00 -0.01 -0.26 0.09 0.00 0.00 178.44 178.04 3hw6 h PHE 176 N 0.00 -0.02 -0.92 1.13 0.05 -0.26 -3.12 116.94 113.80 3hw6 h PHE 176 Ca 0.00 -0.00 0.26 0.00 3.82 0.00 0.00 57.97 62.05 3hw6 h PHE 176 Cb 0.37 0.01 -0.15 0.00 2.00 0.00 0.00 35.95 38.18 3hw6 h PHE 176 CO 0.00 0.66 0.31 1.15 -0.18 0.00 0.00 178.31 180.25 3hw6 h THR 177 N -0.96 0.29 -0.22 -1.55 2.02 -0.74 0.24 112.91 112.00 3hw6 h THR 177 Ca -0.00 -0.08 -0.13 0.00 0.77 0.00 0.00 66.41 66.97 3hw6 h THR 177 Cb 0.70 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3hw6 h THR 177 CO 0.00 0.04 -0.39 0.40 0.37 0.00 0.00 175.52 175.94 3hw6 h ILE 178 N 0.22 1.32 -0.02 3.11 2.04 -1.21 -3.13 117.51 119.85 3hw6 h ILE 178 Ca 0.61 -1.61 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 3hw6 h ILE 178 Cb 1.28 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3hw6 h ILE 178 CO -0.66 0.50 -0.00 -0.09 0.00 0.00 0.00 178.15 177.90 3hw6 h ARG 179 N 0.34 0.03 0.00 2.37 1.12 -0.51 -2.07 114.38 115.66 3hw6 h ARG 179 Ca 0.01 -0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3hw6 h ARG 179 Cb 0.99 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.95 3hw6 h ARG 179 CO 0.09 0.36 0.00 -0.56 -3.11 0.00 0.00 179.97 176.75 3hw6 h GLN 180 N -0.30 0.00 -0.83 0.20 -0.00 -1.37 -2.11 115.11 110.70 3hw6 h GLN 180 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 3hw6 h GLN 180 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.79 3hw6 h GLN 180 CO 0.00 0.00 0.55 0.93 -0.00 0.00 0.00 178.83 180.31 3hw6 h GLU 181 N 0.00 1.09 -0.09 0.06 4.39 -1.31 0.89 114.58 119.62 3hw6 h GLU 181 Ca 0.00 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 3hw6 h GLU 181 Cb 0.44 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3hw6 h GLU 181 CO 0.00 0.72 -0.62 0.52 -1.16 0.00 0.00 179.01 178.47 3hw6 h MET 182 N 1.13 0.31 -0.18 2.33 2.86 -1.22 -2.83 114.93 117.32 3hw6 h MET 182 Ca 0.30 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3hw6 h MET 182 Cb -0.13 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 3hw6 h MET 182 CO -0.07 0.83 -0.18 0.00 1.06 0.00 0.00 176.91 178.56 3hw6 h ALA 183 N 1.12 0.27 -1.51 6.32 0.00 -1.07 0.93 119.26 125.31 3hw6 h ALA 183 Ca -0.01 -0.34 0.46 0.00 0.00 0.00 0.00 54.91 55.02 3hw6 h ALA 183 Cb 1.14 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3hw6 h ALA 183 CO 0.10 0.18 1.04 1.03 0.00 0.00 0.00 179.25 181.60 3hw6 h SER 184 N 0.10 0.12 0.00 0.00 0.87 0.10 -1.51 113.55 113.24 3hw6 h SER 184 Ca 0.03 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3hw6 h SER 184 Cb 0.72 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.69 3hw6 h SER 184 CO 0.04 -0.07 -0.38 -2.11 -0.53 0.00 0.00 176.83 173.79 3hw6 n ARG 185 N -4.33 0.58 -1.48 2.24 1.85 -1.09 -5.02 116.66 109.42 3hw6 n ARG 185 Ca 0.37 -1.85 -0.01 0.00 -1.00 0.00 0.00 57.85 55.36 3hw6 n ARG 185 Cb 1.57 -0.89 -0.00 0.00 -1.05 0.00 0.00 32.46 32.09 3hw6 n ARG 185 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hw6 n GLY 186 N -0.55 0.39 0.07 2.89 0.00 -0.40 -4.45 105.19 103.14 3hw6 n GLY 186 Ca 0.08 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.05 3hw6 n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw6 n LEU 187 N -0.09 0.92 -0.14 0.99 4.32 0.31 -4.63 117.00 118.67 3hw6 n LEU 187 Ca -0.01 -0.03 -0.06 0.00 -0.02 0.00 0.00 56.01 55.89 3hw6 n LEU 187 Cb 0.25 0.04 0.03 0.00 -1.62 0.00 0.00 43.42 42.12 3hw6 n LEU 187 CO 0.01 0.46 1.01 -0.25 -1.22 0.00 0.00 177.39 177.40 3hw6 h TRP 188 N 0.00 0.44 -0.28 -1.77 2.91 -1.72 -3.19 115.95 112.34 3hw6 h TRP 188 Ca -0.35 0.02 0.02 0.00 1.13 0.00 0.00 58.89 59.71 3hw6 h TRP 188 Cb 1.72 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 30.20 3hw6 h TRP 188 CO 0.01 0.23 -0.16 -3.47 -1.03 0.00 0.00 178.44 174.02 3hw6 n ASP 189 N -4.88 -0.29 0.09 2.65 2.03 -1.26 0.18 116.55 115.06 3hw6 n ASP 189 Ca 0.02 1.07 -0.06 0.00 0.52 0.00 0.00 54.79 56.35 3hw6 n ASP 189 Cb 0.09 -0.35 0.01 0.00 -0.72 0.00 0.00 41.12 40.15 3hw6 n ASP 189 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3hw6 h SER 190 N 0.00 0.07 -0.87 1.67 4.64 -1.90 0.35 113.55 117.50 3hw6 h SER 190 Ca 0.04 -0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.38 3hw6 h SER 190 Cb 0.11 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 3hw6 h SER 190 CO -0.26 0.88 0.54 0.15 -0.87 0.00 0.00 176.83 177.26 3hw6 h PHE 191 N 0.03 0.99 -0.35 4.77 3.57 -1.38 0.37 116.94 124.94 3hw6 h PHE 191 Ca -0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 3hw6 h PHE 191 Cb 1.47 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3hw6 h PHE 191 CO 0.01 0.48 -0.20 -0.09 -2.23 0.00 0.00 178.31 176.29 3hw6 h ARG 192 N 0.96 0.67 0.00 1.11 2.43 0.28 -3.31 114.38 116.52 3hw6 h ARG 192 Ca 0.39 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3hw6 h ARG 192 Cb 0.22 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3hw6 h ARG 192 CO -0.19 0.82 0.00 1.96 -1.51 0.00 0.00 179.97 181.05 3hw6 h GLN 193 N 0.59 0.00 -0.29 0.20 4.20 0.19 -3.36 115.11 116.65 3hw6 h GLN 193 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3hw6 h GLN 193 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3hw6 h GLN 193 CO 0.05 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.08 3hw6 n SER 194 N -2.64 2.82 -4.61 1.46 3.41 0.11 -4.90 113.62 109.27 3hw6 n SER 194 Ca 0.04 -1.90 -0.43 0.00 -0.26 0.00 0.00 58.87 56.32 3hw6 n SER 194 Cb 0.44 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3hw6 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw6 s GLU 195 N -1.63 3.59 0.14 4.33 2.12 -1.26 -5.00 118.70 120.99 3hw6 s GLU 195 Ca 0.36 1.44 0.09 0.00 0.36 0.00 0.00 54.97 57.22 3hw6 s GLU 195 Cb 0.21 -4.09 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 3hw6 s GLU 195 CO 0.30 -1.55 -0.17 0.50 -0.54 0.00 0.00 175.26 173.80 3hw6 s ARG 196 N 5.07 1.80 0.00 4.30 3.00 -1.26 -5.07 118.95 126.78 3hw6 s ARG 196 Ca 0.72 -1.24 0.18 0.00 -1.00 0.00 0.00 55.73 54.39 3hw6 s ARG 196 Cb -0.22 -2.09 1.08 0.00 0.00 0.00 0.00 34.95 33.73 3hw6 s ARG 196 CO 0.31 0.46 1.48 0.41 0.00 0.00 0.00 175.30 177.96