#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hw4 s LEU -2 N 0.00 4.46 0.00 1.53 1.02 -1.26 -3.81 118.68 120.62 3hw4 s LEU -2 Ca 0.00 -0.21 -0.04 0.00 0.02 0.00 0.00 54.13 53.91 3hw4 s LEU -2 Cb 0.00 -2.48 0.08 0.00 0.02 0.00 0.00 46.19 43.82 3hw4 s LEU -2 CO 0.00 -0.46 0.53 0.61 0.02 0.00 0.00 176.35 177.06 3hw4 n GLY -1 N 4.91 -0.25 3.54 -3.19 0.00 0.33 -5.03 105.19 105.50 3hw4 n GLY -1 Ca -0.06 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 3hw4 n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hw4 s SER 0 N -3.05 5.33 0.33 1.61 0.15 -1.26 -4.92 113.70 111.88 3hw4 s SER 0 Ca 0.33 -0.07 0.08 0.00 0.70 0.00 0.00 55.95 56.99 3hw4 s SER 0 Cb -0.01 -1.93 0.57 0.00 -1.71 0.00 0.00 66.02 62.94 3hw4 s SER 0 CO 0.22 0.08 1.78 -0.03 1.20 0.00 0.00 173.24 176.49 3hw4 h MET 1 N 7.37 0.24 -0.01 5.44 4.05 -1.97 -1.93 114.93 128.11 3hw4 h MET 1 Ca -0.36 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 58.97 3hw4 h MET 1 Cb 1.18 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3hw4 h MET 1 CO 0.64 0.53 0.01 1.49 0.23 0.00 0.00 176.91 179.80 3hw4 h GLU 2 N 0.21 0.02 -0.91 0.39 4.81 -1.89 -0.22 114.58 116.98 3hw4 h GLU 2 Ca 0.03 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3hw4 h GLU 2 Cb 0.65 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.98 3hw4 h GLU 2 CO 0.05 0.15 0.60 -0.44 -0.73 0.00 0.00 179.01 178.64 3hw4 h ASP 3 N -0.11 1.00 -0.30 1.04 3.32 -1.93 -2.80 116.42 116.63 3hw4 h ASP 3 Ca 0.00 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.08 3hw4 h ASP 3 Cb 0.14 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 3hw4 h ASP 3 CO -0.00 0.70 0.09 0.15 -1.72 0.00 0.00 179.24 178.45 3hw4 h PHE 4 N 1.17 0.15 -0.08 4.55 3.57 -0.88 -2.26 116.94 123.15 3hw4 h PHE 4 Ca 0.35 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.91 3hw4 h PHE 4 Cb -0.03 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 3hw4 h PHE 4 CO -0.00 0.06 -0.25 0.28 -2.23 0.00 0.00 178.31 176.16 3hw4 h VAL 5 N 0.21 0.41 0.00 1.41 2.07 -0.81 0.20 116.25 119.74 3hw4 h VAL 5 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 3hw4 h VAL 5 Cb 0.12 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 3hw4 h VAL 5 CO -0.16 0.00 -0.26 0.03 0.02 0.00 0.00 177.57 177.20 3hw4 h ARG 6 N -0.35 0.00 0.00 1.57 3.08 -1.47 -1.84 114.38 115.37 3hw4 h ARG 6 Ca 0.09 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.90 3hw4 h ARG 6 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 3hw4 h ARG 6 CO -0.28 0.26 -1.41 1.96 -1.07 0.00 0.00 179.97 179.42 3hw4 h GLN 7 N 0.00 0.00 -0.00 0.04 4.20 -1.10 -3.41 115.11 114.83 3hw4 h GLN 7 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hw4 h GLN 7 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3hw4 h GLN 7 CO 0.03 0.53 -0.21 0.00 -0.67 0.00 0.00 178.83 178.51 3hw4 s PHE 9 N -1.31 3.00 0.25 0.00 0.40 -0.72 -5.07 117.98 114.54 3hw4 s PHE 9 Ca 0.04 0.02 -0.29 0.00 -0.60 0.00 0.00 56.93 56.10 3hw4 s PHE 9 Cb 0.05 -1.61 -0.15 0.00 0.51 0.00 0.00 43.02 41.82 3hw4 s PHE 9 CO 0.21 0.45 0.89 -1.71 0.70 0.00 0.00 175.22 175.76 3hw4 n ASN 10 N 1.18 0.61 0.12 1.36 5.15 -1.26 -4.76 115.26 117.65 3hw4 n ASN 10 Ca -0.14 1.16 0.05 0.00 -0.60 0.00 0.00 54.58 55.05 3hw4 n ASN 10 Cb 0.52 -1.19 0.48 0.00 -0.53 0.00 0.00 39.78 39.07 3hw4 n ASN 10 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3hw4 h PRO 11 N 1.86 0.27 -0.40 1.20 0.13 -1.96 -1.27 132.00 131.84 3hw4 h PRO 11 Ca -0.37 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 3hw4 h PRO 11 Cb 1.37 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 3hw4 h PRO 11 CO 0.60 0.25 0.01 1.98 -0.23 0.00 0.00 178.00 180.62 3hw4 h MET 12 N 0.27 0.69 0.14 0.86 4.05 -1.99 -0.37 114.93 118.59 3hw4 h MET 12 Ca 0.07 -0.22 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 3hw4 h MET 12 Cb 0.10 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 3hw4 h MET 12 CO -0.00 0.78 -0.18 0.82 0.23 0.00 0.00 176.91 178.55 3hw4 h ILE 13 N 0.52 0.59 -0.53 1.77 2.04 -1.76 -1.82 117.51 118.32 3hw4 h ILE 13 Ca 0.11 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.06 3hw4 h ILE 13 Cb 0.46 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 3hw4 h ILE 13 CO 0.02 0.00 0.14 0.58 0.00 0.00 0.00 178.15 178.89 3hw4 h VAL 14 N -0.38 0.73 -0.63 1.67 2.07 -0.95 0.05 116.25 118.81 3hw4 h VAL 14 Ca 0.01 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3hw4 h VAL 14 Cb 0.37 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 3hw4 h VAL 14 CO -0.07 0.05 0.29 -0.08 0.02 0.00 0.00 177.57 177.78 3hw4 h GLU 15 N 0.29 0.92 -0.63 1.57 4.22 -1.01 0.41 114.58 120.35 3hw4 h GLU 15 Ca 0.27 -0.14 -0.06 0.00 0.08 0.00 0.00 59.36 59.51 3hw4 h GLU 15 Cb 0.36 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3hw4 h GLU 15 CO -0.32 0.75 0.16 -0.07 -2.18 0.00 0.00 179.01 177.34 3hw4 h LEU 16 N 0.88 0.93 -0.50 1.64 3.38 -0.86 0.11 115.31 120.89 3hw4 h LEU 16 Ca 0.22 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.86 3hw4 h LEU 16 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3hw4 h LEU 16 CO -0.02 0.89 -0.38 0.00 0.09 0.00 0.00 178.44 179.02 3hw4 h ALA 17 N 1.22 0.68 -0.63 1.53 0.00 -0.43 -1.15 119.26 120.49 3hw4 h ALA 17 Ca 0.20 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3hw4 h ALA 17 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hw4 h ALA 17 CO -0.00 0.67 0.32 0.93 0.00 0.00 0.00 179.25 181.17 3hw4 h GLU 18 N 0.67 0.89 0.04 0.00 5.08 0.40 -2.11 114.58 119.55 3hw4 h GLU 18 Ca 0.06 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3hw4 h GLU 18 Cb 0.94 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3hw4 h GLU 18 CO 0.09 0.70 -0.03 0.87 -1.00 0.00 0.00 179.01 179.64 3hw4 h LYS 19 N 0.86 -0.07 -0.75 2.33 1.79 -0.70 -0.65 116.57 119.39 3hw4 h LYS 19 Ca 0.22 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.84 3hw4 h LYS 19 Cb 0.08 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.70 3hw4 h LYS 19 CO -0.03 -0.04 0.50 0.00 -1.08 0.00 0.00 179.45 178.79 3hw4 h ALA 20 N 0.90 2.10 0.00 3.86 0.00 -1.07 -1.20 119.26 123.84 3hw4 h ALA 20 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3hw4 h ALA 20 Cb 0.06 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hw4 h ALA 20 CO -0.00 -0.30 -0.41 0.52 0.00 0.00 0.00 179.25 179.06 3hw4 h MET 21 N 0.42 0.27 -0.30 0.00 2.86 -0.74 -3.28 114.93 114.16 3hw4 h MET 21 Ca 0.36 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3hw4 h MET 21 Cb 0.82 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 3hw4 h MET 21 CO -0.12 1.01 -0.05 0.87 1.06 0.00 0.00 176.91 179.69 3hw4 h LYS 22 N -0.35 0.47 -0.90 1.72 1.57 -1.06 0.11 116.57 118.13 3hw4 h LYS 22 Ca -0.05 -0.11 0.21 0.00 -1.87 0.00 0.00 60.65 58.83 3hw4 h LYS 22 Cb 1.16 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.34 3hw4 h LYS 22 CO 0.08 0.54 0.60 1.49 -0.57 0.00 0.00 179.45 181.59 3hw4 h GLU 23 N 0.45 0.37 -0.31 3.15 4.81 -1.30 -2.66 114.58 119.10 3hw4 h GLU 23 Ca 0.09 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 3hw4 h GLU 23 Cb 0.37 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 3hw4 h GLU 23 CO 0.02 0.25 -0.11 0.66 -0.73 0.00 0.00 179.01 179.09 3hw4 n TYR 24 N -4.50 0.97 -3.14 0.92 4.02 -0.35 -4.96 117.16 110.10 3hw4 n TYR 24 Ca 0.19 -1.54 -0.23 0.00 -0.01 0.00 0.00 57.90 56.32 3hw4 n TYR 24 Cb 0.72 -0.45 0.03 0.00 -0.02 0.00 0.00 39.34 39.61 3hw4 n TYR 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hw4 n GLY 25 N -1.09 -0.52 3.56 2.72 0.00 -1.00 -5.00 105.19 103.86 3hw4 n GLY 25 Ca 0.31 0.13 -0.34 0.00 0.00 0.00 0.00 46.02 46.12 3hw4 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hw4 s GLU 26 N -5.82 2.82 -0.26 1.61 2.02 -0.12 -5.01 118.70 113.94 3hw4 s GLU 26 Ca 0.35 -0.56 -0.13 0.00 0.02 0.00 0.00 54.97 54.64 3hw4 s GLU 26 Cb -0.16 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 3hw4 s GLU 26 CO 0.43 0.61 0.30 0.34 0.02 0.00 0.00 175.26 176.96 3hw4 s ASP 27 N -0.67 6.19 0.59 -0.19 3.68 -1.26 -3.32 116.67 121.69 3hw4 s ASP 27 Ca 0.10 0.21 0.30 0.00 2.13 0.00 0.00 52.55 55.29 3hw4 s ASP 27 Cb -0.11 -2.17 1.81 0.00 -1.45 0.00 0.00 42.92 40.99 3hw4 s ASP 27 CO 0.02 -0.10 2.24 -0.65 0.13 0.00 0.00 175.17 176.81 3hw4 h PRO 28 N 8.04 0.00 0.00 4.34 0.11 -1.92 0.22 132.00 142.78 3hw4 h PRO 28 Ca -0.34 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 3hw4 h PRO 28 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3hw4 h PRO 28 CO 0.63 0.00 -0.46 0.87 -0.21 0.00 0.00 178.00 178.83 3hw4 h LYS 29 N 0.00 0.00 0.00 1.05 1.57 -1.98 -3.34 116.57 113.87 3hw4 h LYS 29 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hw4 h LYS 29 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hw4 h LYS 29 CO -0.00 0.46 -0.47 -0.89 -0.57 0.00 0.00 179.45 177.97 3hw4 n ILE 30 N -3.53 0.82 -1.79 1.86 5.41 -0.32 -4.67 119.36 117.13 3hw4 n ILE 30 Ca -0.00 0.31 -0.42 0.00 1.00 0.00 0.00 62.75 63.64 3hw4 n ILE 30 Cb 0.57 -1.98 -0.00 0.00 -0.71 0.00 0.00 39.64 37.53 3hw4 n ILE 30 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3hw4 n GLU 31 N -3.58 3.05 -0.04 0.38 -0.58 -0.09 -4.73 120.64 115.06 3hw4 n GLU 31 Ca -0.07 -2.72 -0.14 0.00 -0.42 0.00 0.00 57.16 53.81 3hw4 n GLU 31 Cb 0.25 -3.19 -0.02 0.00 -0.57 0.00 0.00 31.44 27.90 3hw4 n GLU 31 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hw4 h THR 32 N 3.87 1.29 -0.79 2.62 1.35 -1.80 -1.47 112.91 117.98 3hw4 h THR 32 Ca 0.57 -1.84 -0.02 0.00 -0.55 0.00 0.00 66.41 64.57 3hw4 h THR 32 Cb 0.61 1.79 -0.04 0.00 -1.73 0.00 0.00 68.15 68.78 3hw4 h THR 32 CO 1.84 0.59 0.42 0.78 -0.25 0.00 0.00 175.52 178.89 3hw4 h ASN 33 N 0.56 1.00 -0.85 5.36 2.35 -1.92 -1.17 115.58 120.91 3hw4 h ASN 33 Ca -0.01 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3hw4 h ASN 33 Cb 1.22 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 39.30 3hw4 h ASN 33 CO 0.13 0.82 0.41 0.50 -1.65 0.00 0.00 177.43 177.64 3hw4 h LYS 34 N 1.10 1.22 -0.57 0.81 3.64 -1.92 -1.38 116.57 119.47 3hw4 h LYS 34 Ca 0.28 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3hw4 h LYS 34 Cb 0.06 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 3hw4 h LYS 34 CO -0.04 0.94 0.19 0.35 -2.27 0.00 0.00 179.45 178.61 3hw4 h PHE 35 N 1.21 0.91 -0.49 1.91 -0.00 -0.84 0.77 116.94 120.40 3hw4 h PHE 35 Ca 0.29 -0.09 -0.05 0.00 -0.00 0.00 0.00 57.97 58.13 3hw4 h PHE 35 Cb 0.12 -0.26 -0.02 0.00 -0.00 0.00 0.00 35.95 35.78 3hw4 h PHE 35 CO 0.01 0.76 0.12 0.00 -0.00 0.00 0.00 178.31 179.20 3hw4 h ALA 36 N 1.05 0.65 -0.57 2.41 0.00 -1.05 -1.96 119.26 119.79 3hw4 h ALA 36 Ca 0.19 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hw4 h ALA 36 Cb 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3hw4 h ALA 36 CO -0.01 0.35 0.33 0.00 0.00 0.00 0.00 179.25 179.92 3hw4 h ALA 37 N 0.99 0.73 -0.45 0.00 0.00 -0.85 -0.97 119.26 118.71 3hw4 h ALA 37 Ca 0.15 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3hw4 h ALA 37 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hw4 h ALA 37 CO 0.00 0.03 0.12 0.82 0.00 0.00 0.00 179.25 180.22 3hw4 h ILE 38 N 0.64 1.23 -0.57 0.00 2.04 -0.83 -0.40 117.51 119.62 3hw4 h ILE 38 Ca 0.24 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.33 3hw4 h ILE 38 Cb 0.07 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 3hw4 h ILE 38 CO -0.12 0.28 0.35 0.00 0.00 0.00 0.00 178.15 178.66 3hw4 h THR 40 N 0.69 1.11 -0.67 0.00 2.02 -0.98 0.43 112.91 115.52 3hw4 h THR 40 Ca 0.23 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 3hw4 h THR 40 Cb 0.01 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3hw4 h THR 40 CO -0.09 0.11 0.27 -0.74 0.37 0.00 0.00 175.52 175.44 3hw4 h HIS 41 N 0.31 1.01 -0.09 3.16 6.17 -0.90 0.54 115.15 125.36 3hw4 h HIS 41 Ca 0.09 -0.07 0.02 0.00 0.71 0.00 0.00 60.37 61.12 3hw4 h HIS 41 Cb 0.05 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.66 3hw4 h HIS 41 CO -0.04 0.78 -0.03 1.25 0.71 0.00 0.00 177.93 180.61 3hw4 h LEU 42 N 0.94 -0.10 -0.62 0.26 5.85 -0.89 -0.42 115.31 120.34 3hw4 h LEU 42 Ca 0.22 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3hw4 h LEU 42 Cb 0.20 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3hw4 h LEU 42 CO -0.02 -0.04 0.38 -0.08 -0.34 0.00 0.00 178.44 178.34 3hw4 h GLU 43 N -0.01 0.72 -0.82 1.25 4.81 -0.60 -1.20 114.58 118.74 3hw4 h GLU 43 Ca 0.04 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hw4 h GLU 43 Cb 0.07 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3hw4 h GLU 43 CO -0.09 0.48 0.52 0.28 -0.73 0.00 0.00 179.01 179.47 3hw4 h VAL 44 N 0.74 1.22 -0.62 0.32 2.07 -0.46 -1.15 116.25 118.38 3hw4 h VAL 44 Ca 0.25 -0.43 0.10 0.00 0.82 0.00 0.00 66.70 67.45 3hw4 h VAL 44 Cb 0.03 0.04 -0.08 0.00 -1.52 0.00 0.00 31.29 29.76 3hw4 h VAL 44 CO -0.11 0.22 0.20 0.00 0.02 0.00 0.00 177.57 177.90 3hw4 h PHE 46 N 0.36 0.51 -0.33 0.00 0.04 -0.80 -2.66 116.94 114.06 3hw4 h PHE 46 Ca 0.32 -0.13 -0.12 0.00 2.80 0.00 0.00 57.97 60.84 3hw4 h PHE 46 Cb 0.43 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3hw4 h PHE 46 CO -0.19 0.74 -0.26 0.52 -0.60 0.00 0.00 178.31 178.52 3hw4 h MET 47 N 0.37 0.76 -0.69 1.51 2.86 -0.68 -2.24 114.93 116.82 3hw4 h MET 47 Ca 0.04 -0.38 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 3hw4 h MET 47 Cb 0.80 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 3hw4 h MET 47 CO 0.06 1.00 0.37 -0.92 1.06 0.00 0.00 176.91 178.48 3hw4 h TYR 48 N 0.53 0.94 -0.01 -0.22 5.03 -1.03 -1.90 116.97 120.30 3hw4 h TYR 48 Ca 0.06 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.35 3hw4 h TYR 48 Cb 0.83 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.81 3hw4 h TYR 48 CO 0.07 0.66 -0.08 -1.13 -1.32 0.00 0.00 178.16 176.36 3hw4 n SER 49 N -4.36 1.06 0.00 -2.11 3.41 -1.01 -5.04 113.62 105.57 3hw4 n SER 49 Ca 0.07 -1.15 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 3hw4 n SER 49 Cb 0.10 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3hw4 n SER 49 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hw4 n ASP 50 N -0.33 0.00 0.00 4.04 2.03 -0.72 -4.76 116.55 116.81 3hw4 n ASP 50 Ca 0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.48 3hw4 n ASP 50 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 3hw4 n ASP 50 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3hw4 n ARG 75 N 0.00 0.00 -5.15 -0.67 0.63 -1.26 -4.63 116.66 105.59 3hw4 n ARG 75 Ca 0.00 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.63 3hw4 n ARG 75 Cb 0.00 -1.03 -0.16 0.00 0.45 0.00 0.00 32.46 31.73 3hw4 n ARG 75 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3hw4 s PHE 76 N 0.00 2.22 -0.20 -0.14 0.40 -1.26 -0.37 117.98 118.64 3hw4 s PHE 76 Ca 0.00 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 55.85 3hw4 s PHE 76 Cb 0.00 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 3hw4 s PHE 76 CO 0.00 0.00 0.03 -2.00 0.70 0.00 0.00 175.22 173.96 3hw4 s GLU 77 N -0.75 3.76 -0.01 0.44 2.56 0.07 -4.95 118.70 119.82 3hw4 s GLU 77 Ca 0.10 -0.45 -0.29 0.00 0.00 0.00 0.00 54.97 54.33 3hw4 s GLU 77 Cb -0.10 -3.16 -0.03 0.00 2.00 0.00 0.00 34.13 32.84 3hw4 s GLU 77 CO -0.00 0.09 0.96 -1.50 -0.56 0.00 0.00 175.26 174.25 3hw4 s ILE 78 N 0.83 4.88 -0.15 -3.70 1.10 -1.26 -1.24 121.20 121.66 3hw4 s ILE 78 Ca 0.02 2.01 -0.08 0.00 -0.51 0.00 0.00 60.65 62.09 3hw4 s ILE 78 Cb -0.14 -4.30 -0.06 0.00 0.15 0.00 0.00 42.46 38.11 3hw4 s ILE 78 CO 0.02 0.16 -0.20 -0.38 -2.11 0.00 0.00 174.94 172.43 3hw4 n ILE 79 N 3.94 0.90 -1.59 2.00 2.08 0.13 -4.91 119.36 121.91 3hw4 n ILE 79 Ca 0.06 -0.17 -0.41 0.00 0.56 0.00 0.00 62.75 62.78 3hw4 n ILE 79 Cb 0.51 -1.74 0.01 0.00 -0.75 0.00 0.00 39.64 37.67 3hw4 n ILE 79 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 3hw4 n GLU 80 N -3.73 1.21 0.00 0.38 4.07 -0.51 -2.66 120.64 119.40 3hw4 n GLU 80 Ca -0.28 0.44 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 3hw4 n GLU 80 Cb 0.67 -1.97 0.00 0.00 -0.06 0.00 0.00 31.44 30.08 3hw4 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hw4 n GLY 81 N 1.27 2.90 3.77 8.31 0.00 -1.26 -5.04 105.19 115.14 3hw4 n GLY 81 Ca 0.10 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3hw4 n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hw4 s ARG 82 N 0.00 3.56 0.26 1.61 0.52 -1.09 -4.97 118.95 118.85 3hw4 s ARG 82 Ca 0.00 1.74 -0.29 0.00 -0.52 0.00 0.00 55.73 56.66 3hw4 s ARG 82 Cb 0.00 -2.25 -0.14 0.00 0.52 0.00 0.00 34.95 33.08 3hw4 s ARG 82 CO 0.00 -0.71 1.05 -0.25 0.02 0.00 0.00 175.30 175.42 3hw4 n ASP 83 N -0.82 1.31 -0.36 0.23 9.92 -1.26 -4.69 116.55 120.88 3hw4 n ASP 83 Ca 0.09 1.17 0.07 0.00 -0.53 0.00 0.00 54.79 55.59 3hw4 n ASP 83 Cb 0.49 -1.27 0.24 0.00 -0.64 0.00 0.00 41.12 39.94 3hw4 n ASP 83 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3hw4 h ARG 84 N 2.41 0.98 -0.32 -1.24 3.08 -1.97 0.11 114.38 117.43 3hw4 h ARG 84 Ca -0.40 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 3hw4 h ARG 84 Cb 1.34 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 3hw4 h ARG 84 CO 0.64 0.65 0.07 1.15 -1.07 0.00 0.00 179.97 181.41 3hw4 h THR 85 N 1.01 1.22 -0.61 2.04 2.02 -2.00 -1.67 112.91 114.92 3hw4 h THR 85 Ca 0.49 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 3hw4 h THR 85 Cb 0.47 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 3hw4 h THR 85 CO -0.26 0.25 0.17 -0.03 0.37 0.00 0.00 175.52 176.02 3hw4 h MET 86 N 0.35 0.97 -0.06 6.66 1.85 -1.76 -1.00 114.93 121.94 3hw4 h MET 86 Ca 0.10 -0.22 0.03 0.00 -0.61 0.00 0.00 59.70 59.00 3hw4 h MET 86 Cb 0.31 -0.13 -0.04 0.00 0.43 0.00 0.00 31.60 32.17 3hw4 h MET 86 CO 0.00 0.88 -0.13 0.00 -0.40 0.00 0.00 176.91 177.25 3hw4 h ALA 87 N 1.05 -0.10 -0.66 0.39 0.00 -0.73 0.84 119.26 120.05 3hw4 h ALA 87 Ca 0.19 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hw4 h ALA 87 Cb 0.33 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3hw4 h ALA 87 CO -0.00 -0.61 0.15 -1.49 0.00 0.00 0.00 179.25 177.30 3hw4 h TRP 88 N -0.19 1.11 -0.45 0.00 4.06 -1.22 0.22 115.95 119.48 3hw4 h TRP 88 Ca 0.07 -0.14 0.09 0.00 2.06 0.00 0.00 58.89 60.97 3hw4 h TRP 88 Cb 0.29 -0.31 -0.08 0.00 -1.00 0.00 0.00 29.16 28.05 3hw4 h TRP 88 CO -0.22 0.92 -0.06 1.15 -3.56 0.00 0.00 178.44 176.67 3hw4 h THR 89 N 0.98 0.60 -0.33 1.49 2.02 -0.93 0.19 112.91 116.93 3hw4 h THR 89 Ca 0.20 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3hw4 h THR 89 Cb 0.38 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3hw4 h THR 89 CO 0.00 0.01 0.15 0.58 0.37 0.00 0.00 175.52 176.63 3hw4 h VAL 90 N 0.05 1.17 -0.31 3.16 2.07 -0.43 0.54 116.25 122.51 3hw4 h VAL 90 Ca 0.22 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3hw4 h VAL 90 Cb 0.33 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3hw4 h VAL 90 CO -0.42 0.18 0.16 0.58 0.02 0.00 0.00 177.57 178.09 3hw4 h VAL 91 N 0.40 1.01 -0.83 2.57 2.07 -0.21 -2.08 116.25 119.17 3hw4 h VAL 91 Ca 0.11 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3hw4 h VAL 91 Cb 0.14 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3hw4 h VAL 91 CO -0.01 0.06 0.40 0.78 0.02 0.00 0.00 177.57 178.82 3hw4 h ASN 92 N 0.34 1.09 -0.42 0.57 4.21 -0.54 -1.38 115.58 119.45 3hw4 h ASN 92 Ca 0.12 -0.13 0.03 0.00 1.21 0.00 0.00 56.30 57.53 3hw4 h ASN 92 Cb 0.02 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 36.91 3hw4 h ASN 92 CO -0.07 0.92 0.20 -1.28 -1.29 0.00 0.00 177.43 175.91 3hw4 h SER 93 N 1.18 0.29 -0.19 5.81 0.87 -0.82 -0.23 113.55 120.47 3hw4 h SER 93 Ca 0.29 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 3hw4 h SER 93 Cb 0.12 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3hw4 h SER 93 CO -0.04 0.21 0.09 0.40 -0.53 0.00 0.00 176.83 176.97 3hw4 h ILE 94 N 0.41 1.13 -0.71 2.23 2.04 -1.29 -1.64 117.51 119.69 3hw4 h ILE 94 Ca 0.18 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.68 3hw4 h ILE 94 Cb 0.09 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3hw4 h ILE 94 CO -0.13 0.13 0.47 0.00 0.00 0.00 0.00 178.15 178.61 3hw4 n ASN 96 N -4.44 0.53 0.15 0.00 6.94 -0.11 -3.44 115.26 114.89 3hw4 n ASN 96 Ca 0.08 -0.29 0.03 0.00 -0.02 0.00 0.00 54.58 54.38 3hw4 n ASN 96 Cb 0.07 0.12 0.14 0.00 -2.36 0.00 0.00 39.78 37.75 3hw4 n ASN 96 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 3hw4 h THR 97 N 0.24 0.92 -4.68 5.53 2.02 -0.76 -3.47 112.91 112.70 3hw4 h THR 97 Ca 0.00 -2.02 -0.45 0.00 0.77 0.00 0.00 66.41 64.71 3hw4 h THR 97 Cb 0.49 2.26 -0.09 0.00 -1.74 0.00 0.00 68.15 69.07 3hw4 h THR 97 CO 0.00 0.47 -0.33 0.35 0.37 0.00 0.00 175.52 176.38 3hw4 n THR 98 N -3.35 0.00 0.74 3.16 -2.24 -0.47 -5.04 114.28 107.08 3hw4 n THR 98 Ca 0.01 -1.67 0.13 0.00 -2.27 0.00 0.00 64.05 60.25 3hw4 n THR 98 Cb 0.66 0.37 0.38 0.00 -2.10 0.00 0.00 70.33 69.64 3hw4 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw4 n GLY 99 N 0.69 -1.54 3.70 3.38 0.00 -1.26 -4.82 105.19 105.35 3hw4 n GLY 99 Ca -0.13 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 3hw4 n GLY 99 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hw4 n VAL 100 N -1.97 1.14 -1.55 1.61 0.31 -1.26 -4.91 118.33 111.71 3hw4 n VAL 100 Ca 0.05 -0.28 -0.41 0.00 -0.01 0.00 0.00 64.34 63.68 3hw4 n VAL 100 Cb 0.40 -1.68 0.01 0.00 -0.91 0.00 0.00 33.84 31.66 3hw4 n VAL 100 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3hw4 n GLU 101 N 1.85 1.00 -2.99 5.55 2.13 -1.26 -4.75 120.64 122.17 3hw4 n GLU 101 Ca 0.09 0.36 -0.41 0.00 0.66 0.00 0.00 57.16 57.87 3hw4 n GLU 101 Cb 0.34 -1.82 -0.05 0.00 0.27 0.00 0.00 31.44 30.18 3hw4 n GLU 101 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3hw4 s LYS 102 N -1.86 4.31 0.48 5.31 2.20 -1.26 -4.99 119.74 123.92 3hw4 s LYS 102 Ca 0.64 0.88 -0.24 0.00 -0.36 0.00 0.00 55.97 56.88 3hw4 s LYS 102 Cb -0.58 -3.55 -0.07 0.00 -1.51 0.00 0.00 37.83 32.12 3hw4 s LYS 102 CO 0.57 -0.21 1.38 -2.30 -0.36 0.00 0.00 175.35 174.43 3hw4 n PRO 103 N 4.84 2.03 0.26 4.03 -0.02 -1.26 -4.92 135.00 139.96 3hw4 n PRO 103 Ca 0.02 0.73 0.15 0.00 -2.02 0.00 0.00 63.50 62.37 3hw4 n PRO 103 Cb 0.50 -2.58 0.63 0.00 -0.02 0.00 0.00 33.50 32.03 3hw4 n PRO 103 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3hw4 h LYS 104 N 1.99 0.00 0.00 -0.52 1.57 -1.96 -3.39 116.57 114.26 3hw4 h LYS 104 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3hw4 h LYS 104 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3hw4 h LYS 104 CO 0.60 0.09 -0.80 1.19 -0.57 0.00 0.00 179.45 179.95 3hw4 n PHE 105 N -3.24 0.00 0.00 -1.35 3.72 -1.26 -5.12 117.46 110.21 3hw4 n PHE 105 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3hw4 n PHE 105 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 3hw4 n PHE 105 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hw4 n LEU 106 N -1.41 0.00 0.00 4.37 4.77 -1.26 -5.06 117.00 118.41 3hw4 n LEU 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hw4 n LEU 106 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3hw4 n LEU 106 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.39 175.25 3hw4 n PRO 107 N 0.40 0.55 -0.13 3.23 -0.04 -1.26 -5.04 135.00 132.71 3hw4 n PRO 107 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 3hw4 n PRO 107 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 3hw4 n PRO 107 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3hw4 n ASP 108 N -2.93 1.99 -4.16 3.54 8.00 -0.58 -3.94 116.55 118.46 3hw4 n ASP 108 Ca 0.00 -0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.27 3hw4 n ASP 108 Cb 0.00 -0.41 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 3hw4 n ASP 108 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hw4 s LEU 109 N -6.53 2.14 -0.05 0.64 1.43 -0.83 0.18 118.68 115.67 3hw4 s LEU 109 Ca -0.35 -1.12 0.06 0.00 -1.03 0.00 0.00 54.13 51.69 3hw4 s LEU 109 Cb 0.09 0.13 -0.01 0.00 0.03 0.00 0.00 46.19 46.43 3hw4 s LEU 109 CO 0.60 -0.62 -0.23 -0.47 0.23 0.00 0.00 176.35 175.86 3hw4 s TYR 110 N -3.86 2.26 -0.46 0.29 5.04 -0.37 -0.56 117.35 119.69 3hw4 s TYR 110 Ca 0.18 -0.66 -0.15 0.00 -2.44 0.00 0.00 57.07 54.00 3hw4 s TYR 110 Cb 0.07 -1.49 0.06 0.00 0.35 0.00 0.00 41.96 40.96 3hw4 s TYR 110 CO -0.01 -0.20 0.38 0.34 -1.34 0.00 0.00 175.55 174.72 3hw4 s ASP 111 N -0.13 6.14 0.47 4.32 3.68 0.57 -0.75 116.67 130.96 3hw4 s ASP 111 Ca -0.03 -1.26 0.23 0.00 2.13 0.00 0.00 52.55 53.63 3hw4 s ASP 111 Cb -0.13 -2.18 1.15 0.00 -1.45 0.00 0.00 42.92 40.31 3hw4 s ASP 111 CO 0.03 -0.62 1.95 1.88 0.13 0.00 0.00 175.17 178.54 3hw4 h TYR 112 N 8.74 0.00 0.35 -5.34 0.05 -0.99 0.50 116.97 120.27 3hw4 h TYR 112 Ca -0.28 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 3hw4 h TYR 112 Cb 1.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.86 3hw4 h TYR 112 CO 0.62 0.20 -0.17 0.87 -1.05 0.00 0.00 178.16 178.64 3hw4 h LYS 113 N 0.00 -0.46 -0.02 4.88 1.79 -1.94 -3.33 116.57 117.50 3hw4 h LYS 113 Ca -0.00 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 3hw4 h LYS 113 Cb 0.52 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 3hw4 h LYS 113 CO 0.03 -0.19 -0.16 0.39 -1.08 0.00 0.00 179.45 178.44 3hw4 n GLU 114 N -5.10 1.51 -3.44 3.15 -0.58 -1.23 -4.98 120.64 109.98 3hw4 n GLU 114 Ca -0.08 -1.06 -0.20 0.00 -0.42 0.00 0.00 57.16 55.41 3hw4 n GLU 114 Cb 0.24 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.67 3hw4 n GLU 114 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3hw4 n ASN 115 N 0.18 -6.19 -3.54 1.62 2.85 0.14 -5.03 115.26 105.29 3hw4 n ASN 115 Ca 0.14 -0.73 -0.14 0.00 -0.11 0.00 0.00 54.58 53.74 3hw4 n ASN 115 Cb 0.43 -4.17 -0.05 0.00 1.24 0.00 0.00 39.78 37.23 3hw4 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3hw4 s ARG 116 N -4.82 1.08 0.51 1.20 1.70 -1.02 -4.97 118.95 112.63 3hw4 s ARG 116 Ca 0.34 -0.23 -0.09 0.00 -0.47 0.00 0.00 55.73 55.29 3hw4 s ARG 116 Cb -0.09 0.50 -0.05 0.00 -0.57 0.00 0.00 34.95 34.74 3hw4 s ARG 116 CO 0.81 -0.40 0.87 -0.06 -1.08 0.00 0.00 175.30 175.43 3hw4 s PHE 117 N -2.56 3.56 -0.01 5.89 0.40 -1.26 -0.31 117.98 123.68 3hw4 s PHE 117 Ca -0.05 1.04 0.02 0.00 -0.60 0.00 0.00 56.93 57.34 3hw4 s PHE 117 Cb -0.01 -2.48 0.00 0.00 0.51 0.00 0.00 43.02 41.04 3hw4 s PHE 117 CO -0.02 -0.37 -0.06 0.42 0.70 0.00 0.00 175.22 175.88 3hw4 s ILE 118 N -2.80 0.52 -0.18 0.64 1.01 0.28 -0.84 121.20 119.82 3hw4 s ILE 118 Ca 0.51 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.84 3hw4 s ILE 118 Cb -0.10 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 3hw4 s ILE 118 CO 0.44 0.16 0.09 -1.61 0.00 0.00 0.00 174.94 174.02 3hw4 s GLU 119 N 0.07 3.94 -0.11 2.79 0.41 0.07 -1.53 118.70 124.35 3hw4 s GLU 119 Ca -0.01 -0.29 -0.02 0.00 -0.41 0.00 0.00 54.97 54.25 3hw4 s GLU 119 Cb -0.05 -3.25 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 3hw4 s GLU 119 CO -0.00 0.35 -0.04 0.42 -0.49 0.00 0.00 175.26 175.50 3hw4 s ILE 120 N 0.17 3.92 0.01 -1.63 -1.09 -1.26 -1.51 121.20 119.80 3hw4 s ILE 120 Ca 0.06 -0.38 0.08 0.00 -2.23 0.00 0.00 60.65 58.19 3hw4 s ILE 120 Cb -0.12 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.08 3hw4 s ILE 120 CO -0.00 0.56 -0.25 -0.83 -1.23 0.00 0.00 174.94 173.19 3hw4 s GLY 121 N -0.36 1.37 -0.15 6.18 0.00 -0.34 -4.97 107.32 109.05 3hw4 s GLY 121 Ca 0.06 -1.18 0.01 0.00 0.00 0.00 0.00 44.72 43.61 3hw4 s GLY 121 CO 0.02 -1.03 -0.17 0.14 0.00 0.00 0.00 173.10 172.06 3hw4 s VAL 122 N -0.73 1.77 0.05 1.40 1.01 -1.26 -0.55 120.40 122.10 3hw4 s VAL 122 Ca 0.11 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3hw4 s VAL 122 Cb -0.10 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3hw4 s VAL 122 CO 0.01 0.49 -0.18 0.28 0.00 0.00 0.00 175.10 175.70 3hw4 s THR 123 N 1.25 1.43 -2.72 3.92 -1.32 -0.04 -4.98 115.64 113.18 3hw4 s THR 123 Ca 0.01 -1.19 0.24 0.00 -1.21 0.00 0.00 61.69 59.53 3hw4 s THR 123 Cb -0.14 -1.28 0.31 0.00 -1.51 0.00 0.00 72.50 69.88 3hw4 s THR 123 CO -0.09 0.06 1.33 -2.11 -2.21 0.00 0.00 174.62 171.60 3hw4 n ARG 124 N 1.69 2.41 -0.84 7.08 1.85 -1.26 -2.98 116.66 124.60 3hw4 n ARG 124 Ca -0.18 -2.11 -0.00 0.00 -1.00 0.00 0.00 57.85 54.55 3hw4 n ARG 124 Cb 0.54 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 3hw4 n ARG 124 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hw4 n ARG 125 N 1.42 0.81 -1.97 2.89 1.74 -1.26 -4.98 116.66 115.31 3hw4 n ARG 125 Ca 0.17 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.79 3hw4 n ARG 125 Cb 0.60 -0.01 -0.02 0.00 -1.02 0.00 0.00 32.46 32.01 3hw4 n ARG 125 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hw4 s GLU 126 N -2.23 4.24 0.26 5.56 2.02 -1.26 -4.92 118.70 122.37 3hw4 s GLU 126 Ca 0.01 2.33 -0.04 0.00 0.02 0.00 0.00 54.97 57.30 3hw4 s GLU 126 Cb -0.00 -3.12 0.32 0.00 0.10 0.00 0.00 34.13 31.42 3hw4 s GLU 126 CO 0.01 -0.50 1.83 -0.39 0.02 0.00 0.00 175.26 176.23 3hw4 h VAL 127 N 3.70 1.24 -0.86 2.63 -1.51 -1.95 -1.84 116.25 117.66 3hw4 h VAL 127 Ca -0.45 -0.75 0.06 0.00 -1.23 0.00 0.00 66.70 64.33 3hw4 h VAL 127 Cb 1.21 0.42 -0.06 0.00 -2.13 0.00 0.00 31.29 30.73 3hw4 h VAL 127 CO 0.83 0.30 0.54 0.45 -1.23 0.00 0.00 177.57 178.45 3hw4 h HIS 128 N 0.99 0.99 -0.09 5.19 3.86 -1.98 0.25 115.15 124.37 3hw4 h HIS 128 Ca 0.23 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3hw4 h HIS 128 Cb 0.19 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 3hw4 h HIS 128 CO 0.02 0.52 0.05 1.15 0.86 0.00 0.00 177.93 180.52 3hw4 h THR 129 N 0.99 1.11 -0.24 2.45 2.02 -1.74 -2.04 112.91 115.45 3hw4 h THR 129 Ca 0.37 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 3hw4 h THR 129 Cb 0.14 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 3hw4 h THR 129 CO -0.16 0.09 -0.06 0.22 0.37 0.00 0.00 175.52 175.98 3hw4 h TYR 130 N 0.03 0.54 -0.29 3.16 3.20 -1.04 -0.82 116.97 121.75 3hw4 h TYR 130 Ca 0.03 -0.12 0.07 0.00 3.14 0.00 0.00 58.73 61.85 3hw4 h TYR 130 Cb 0.11 -0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 3hw4 h TYR 130 CO -0.03 0.70 -0.21 -0.92 -1.64 0.00 0.00 178.16 176.06 3hw4 h TYR 131 N 0.21 -0.54 -0.08 -3.82 3.20 -0.45 -1.25 116.97 114.24 3hw4 h TYR 131 Ca 0.06 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 3hw4 h TYR 131 Cb 0.53 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3hw4 h TYR 131 CO 0.05 -0.28 -0.48 -0.07 -1.64 0.00 0.00 178.16 175.74 3hw4 h LEU 132 N -0.19 0.23 -0.44 2.82 3.38 -1.20 0.10 115.31 120.01 3hw4 h LEU 132 Ca 0.15 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3hw4 h LEU 132 Cb 0.42 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3hw4 h LEU 132 CO -0.40 0.67 0.07 -0.33 0.09 0.00 0.00 178.44 178.54 3hw4 h GLU 133 N 0.17 0.19 -0.20 1.13 5.08 -0.68 0.32 114.58 120.59 3hw4 h GLU 133 Ca 0.01 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3hw4 h GLU 133 Cb 0.91 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3hw4 h GLU 133 CO 0.07 0.12 0.02 -0.22 -1.00 0.00 0.00 179.01 178.01 3hw4 h LYS 134 N 0.19 0.34 -0.68 2.33 1.63 -0.63 -1.38 116.57 118.36 3hw4 h LYS 134 Ca 0.22 -0.10 0.08 0.00 -0.85 0.00 0.00 60.65 60.01 3hw4 h LYS 134 Cb 0.29 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.82 3hw4 h LYS 134 CO -0.31 0.51 0.34 0.00 -3.45 0.00 0.00 179.45 176.54 3hw4 h ALA 135 N 0.81 0.93 0.00 5.00 0.00 -0.62 -1.69 119.26 123.70 3hw4 h ALA 135 Ca 0.06 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3hw4 h ALA 135 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hw4 h ALA 135 CO 0.01 -0.05 -0.29 -0.91 0.00 0.00 0.00 179.25 178.01 3hw4 h ASN 136 N 0.59 0.00 -0.00 0.00 -0.26 -0.80 -2.11 115.58 113.00 3hw4 h ASN 136 Ca 0.33 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.05 3hw4 h ASN 136 Cb 0.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 3hw4 h ASN 136 CO -0.25 0.29 -0.07 0.50 -1.06 0.00 0.00 177.43 176.84 3hw4 h LYS 137 N 0.00 0.05 0.00 0.81 3.64 -0.56 -3.35 116.57 117.16 3hw4 h LYS 137 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hw4 h LYS 137 Cb 0.70 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 3hw4 h LYS 137 CO 0.04 0.82 -0.04 -0.84 -2.27 0.00 0.00 179.45 177.15 3hw4 h ILE 138 N -0.70 0.00 -7.08 2.00 3.07 -1.26 -3.47 117.51 110.06 3hw4 h ILE 138 Ca -0.01 -0.85 -0.43 0.00 1.55 0.00 0.00 64.86 65.12 3hw4 h ILE 138 Cb 0.84 1.83 -0.02 0.00 -0.27 0.00 0.00 36.82 39.20 3hw4 h ILE 138 CO 0.01 0.00 -0.72 0.29 -1.05 0.00 0.00 178.15 176.68 3hw4 n LYS 139 N -2.84 -0.46 -4.67 0.16 5.02 -0.80 -4.75 118.16 109.81 3hw4 n LYS 139 Ca 0.04 -0.11 -0.25 0.00 -2.02 0.00 0.00 58.31 55.98 3hw4 n LYS 139 Cb 0.50 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 33.86 3hw4 n LYS 139 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hw4 s SER 140 N -3.96 2.22 0.00 4.39 0.15 -1.26 -5.02 113.70 110.23 3hw4 s SER 140 Ca 0.34 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.79 3hw4 s SER 140 Cb -0.19 -0.20 0.38 0.00 -1.71 0.00 0.00 66.02 64.31 3hw4 s SER 140 CO 0.70 0.16 1.33 -0.62 1.20 0.00 0.00 173.24 176.01 3hw4 n GLU 141 N 2.12 0.30 -0.04 5.44 4.71 -1.26 -4.48 120.64 127.43 3hw4 n GLU 141 Ca -0.16 -0.20 -0.04 0.00 -0.01 0.00 0.00 57.16 56.75 3hw4 n GLU 141 Cb 0.54 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.41 3hw4 n GLU 141 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3hw4 n LYS 142 N -1.18 2.51 -2.41 3.49 4.76 -1.26 -4.99 118.16 119.09 3hw4 n LYS 142 Ca 0.07 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 3hw4 n LYS 142 Cb 0.35 -1.19 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 3hw4 n LYS 142 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3hw4 s THR 143 N -2.18 4.06 0.23 -0.18 2.01 -1.26 -4.63 115.64 113.69 3hw4 s THR 143 Ca -0.05 1.45 -0.22 0.00 0.31 0.00 0.00 61.69 63.19 3hw4 s THR 143 Cb 0.02 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.52 3hw4 s THR 143 CO 0.30 0.07 0.77 -2.28 -0.69 0.00 0.00 174.62 172.79 3hw4 s HIS 144 N 1.53 3.71 -0.03 4.92 2.46 -0.02 -4.91 115.29 122.95 3hw4 s HIS 144 Ca 0.58 1.51 0.07 0.00 0.47 0.00 0.00 55.06 57.70 3hw4 s HIS 144 Cb -0.28 -2.70 -0.02 0.00 -0.13 0.00 0.00 32.58 29.44 3hw4 s HIS 144 CO 0.27 0.35 -0.25 0.42 -2.47 0.00 0.00 174.74 173.06 3hw4 s ILE 145 N -1.46 2.08 -0.09 0.89 1.01 -1.26 -0.75 121.20 121.62 3hw4 s ILE 145 Ca 0.43 -1.09 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 3hw4 s ILE 145 Cb -0.18 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 40.61 3hw4 s ILE 145 CO 0.23 0.58 0.10 -2.28 0.00 0.00 0.00 174.94 173.56 3hw4 s HIS 146 N -0.47 0.03 -0.08 3.97 2.46 -0.57 -1.20 115.29 119.42 3hw4 s HIS 146 Ca 0.06 0.19 0.03 0.00 0.47 0.00 0.00 55.06 55.80 3hw4 s HIS 146 Cb -0.11 -0.48 -0.02 0.00 -0.13 0.00 0.00 32.58 31.84 3hw4 s HIS 146 CO 0.00 -0.31 -0.16 0.42 -2.47 0.00 0.00 174.74 172.23 3hw4 s ILE 147 N 2.20 2.83 0.22 0.89 -1.09 -0.06 -1.20 121.20 124.98 3hw4 s ILE 147 Ca 0.04 -0.78 0.10 0.00 -2.23 0.00 0.00 60.65 57.78 3hw4 s ILE 147 Cb -0.13 -2.12 -0.04 0.00 -1.58 0.00 0.00 42.46 38.58 3hw4 s ILE 147 CO -0.05 0.56 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.73 3hw4 s PHE 148 N -0.21 2.51 0.23 3.97 0.40 0.29 -1.32 117.98 123.85 3hw4 s PHE 148 Ca -0.00 -0.27 0.06 0.00 -0.60 0.00 0.00 56.93 56.12 3hw4 s PHE 148 Cb -0.13 -1.18 -0.05 0.00 0.51 0.00 0.00 43.02 42.17 3hw4 s PHE 148 CO 0.03 0.58 -0.07 -1.54 0.70 0.00 0.00 175.22 174.91 3hw4 s SER 149 N -3.11 2.39 0.00 1.36 1.04 -0.53 -0.86 113.70 113.99 3hw4 s SER 149 Ca 0.26 -1.13 0.16 0.00 0.48 0.00 0.00 55.95 55.73 3hw4 s SER 149 Cb -0.07 -0.10 0.98 0.00 0.10 0.00 0.00 66.02 66.92 3hw4 s SER 149 CO 0.15 -0.33 1.40 0.49 0.98 0.00 0.00 173.24 175.93 3hw4 n PHE 150 N -0.45 0.00 1.02 5.02 3.01 -1.16 -2.92 117.46 121.98 3hw4 n PHE 150 Ca -0.07 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.50 3hw4 n PHE 150 Cb 0.62 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.09 3hw4 n PHE 150 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3hw4 n THR 151 N -0.93 0.00 0.00 4.37 -2.24 -1.26 -4.74 114.28 109.48 3hw4 n THR 151 Ca 0.12 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3hw4 n THR 151 Cb 0.06 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 3hw4 n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hw4 n GLY 152 N 1.46 1.00 3.77 3.38 0.00 -1.15 -5.07 105.19 108.59 3hw4 n GLY 152 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3hw4 n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hw4 s GLU 153 N -0.96 4.09 0.05 1.61 2.12 -1.26 -4.87 118.70 119.48 3hw4 s GLU 153 Ca 0.00 2.07 -0.02 0.00 0.36 0.00 0.00 54.97 57.38 3hw4 s GLU 153 Cb 0.00 -2.82 -0.03 0.00 0.26 0.00 0.00 34.13 31.54 3hw4 s GLU 153 CO 0.00 -0.36 0.02 -1.83 -0.54 0.00 0.00 175.26 172.55 3hw4 s GLU 154 N -2.13 0.58 -0.15 4.30 -1.05 -1.26 -1.45 118.70 117.54 3hw4 s GLU 154 Ca 0.55 -1.01 -0.12 0.00 -0.15 0.00 0.00 54.97 54.24 3hw4 s GLU 154 Cb -0.36 0.21 0.04 0.00 -0.44 0.00 0.00 34.13 33.58 3hw4 s GLU 154 CO 0.47 -0.12 0.39 1.41 0.95 0.00 0.00 175.26 178.36 3hw4 s MET 155 N -3.27 0.43 -0.02 -4.83 1.75 -0.43 -5.00 119.30 107.93 3hw4 s MET 155 Ca 0.01 0.61 -0.06 0.00 -1.25 0.00 0.00 55.69 55.00 3hw4 s MET 155 Cb 0.03 0.14 0.00 0.00 2.84 0.00 0.00 34.83 37.85 3hw4 s MET 155 CO -0.08 -0.09 0.13 0.00 -0.65 0.00 0.00 175.02 174.34 3hw4 s ALA 156 N 0.56 -0.31 0.03 4.11 0.00 -1.26 -0.88 121.76 124.01 3hw4 s ALA 156 Ca -0.03 0.04 -0.35 0.00 0.00 0.00 0.00 51.96 51.62 3hw4 s ALA 156 Cb -0.05 -0.02 -0.13 0.00 0.00 0.00 0.00 23.12 22.92 3hw4 s ALA 156 CO -0.03 -0.15 1.70 2.41 0.00 0.00 0.00 175.76 179.68 3hw4 n THR 157 N 2.04 0.26 -1.89 0.00 -1.04 -0.34 -1.39 114.28 111.92 3hw4 n THR 157 Ca -0.19 -0.05 -0.18 0.00 -2.04 0.00 0.00 64.05 61.60 3hw4 n THR 157 Cb 0.57 -1.60 -0.04 0.00 -1.82 0.00 0.00 70.33 67.43 3hw4 n THR 157 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hw4 n LYS 158 N 4.80 -1.31 -2.73 -2.82 5.02 -1.26 -1.20 118.16 118.66 3hw4 n LYS 158 Ca 0.20 1.00 -0.17 0.00 -2.02 0.00 0.00 58.31 57.31 3hw4 n LYS 158 Cb 0.27 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 29.94 3hw4 n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hw4 n ALA 159 N -0.15 -0.85 -2.76 7.82 0.00 -0.48 -4.93 120.51 119.16 3hw4 n ALA 159 Ca -0.19 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 3hw4 n ALA 159 Cb 0.61 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 3hw4 n ALA 159 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hw4 s ASP 160 N -2.29 5.92 0.00 0.00 2.15 -0.34 -4.95 116.67 117.15 3hw4 s ASP 160 Ca 0.14 -1.08 0.25 0.00 0.43 0.00 0.00 52.55 52.29 3hw4 s ASP 160 Cb -0.07 -2.09 0.53 0.00 -0.30 0.00 0.00 42.92 40.99 3hw4 s ASP 160 CO 0.17 -0.47 1.42 -1.22 -0.17 0.00 0.00 175.17 174.90 3hw4 n TYR 161 N 5.08 0.00 0.00 -5.34 4.02 -1.26 -4.43 117.16 115.23 3hw4 n TYR 161 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 3hw4 n TYR 161 Cb 0.46 -0.15 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 3hw4 n TYR 161 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3hw4 n THR 162 N -0.99 0.00 -2.70 -0.72 -1.04 -1.26 -4.81 114.28 102.75 3hw4 n THR 162 Ca 0.09 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.82 3hw4 n THR 162 Cb 0.35 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.85 3hw4 n THR 162 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hw4 s LEU 163 N 0.00 3.68 0.93 -4.42 1.43 -1.26 -5.10 118.68 113.95 3hw4 s LEU 163 Ca 0.00 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 3hw4 s LEU 163 Cb 0.00 -3.90 0.15 0.00 0.03 0.00 0.00 46.19 42.47 3hw4 s LEU 163 CO 0.00 -0.53 1.09 1.51 0.23 0.00 0.00 176.35 178.65 3hw4 s ASP 164 N -3.89 3.18 0.17 2.29 3.84 -1.26 -4.81 116.67 116.18 3hw4 s ASP 164 Ca 0.48 1.36 -0.20 0.00 -0.00 0.00 0.00 52.55 54.19 3hw4 s ASP 164 Cb -0.10 -2.04 0.08 0.00 -1.38 0.00 0.00 42.92 39.48 3hw4 s ASP 164 CO 0.42 -2.81 1.63 -0.33 -0.00 0.00 0.00 175.17 174.08 3hw4 h GLU 165 N -1.67 -0.15 0.00 2.11 4.39 -1.99 -2.14 114.58 115.13 3hw4 h GLU 165 Ca -0.51 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.07 3hw4 h GLU 165 Cb 1.30 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.97 3hw4 h GLU 165 CO 0.56 -0.10 -0.60 1.05 -1.16 0.00 0.00 179.01 178.76 3hw4 h GLU 166 N -0.16 0.00 -0.53 2.33 4.11 -1.98 -0.61 114.58 117.74 3hw4 h GLU 166 Ca 0.18 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.58 3hw4 h GLU 166 Cb 0.44 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3hw4 h GLU 166 CO -0.47 0.60 0.20 1.03 0.07 0.00 0.00 179.01 180.44 3hw4 h SER 167 N 0.00 0.75 0.26 3.06 0.87 -1.86 -1.13 113.55 115.50 3hw4 h SER 167 Ca -0.01 -0.18 -0.14 0.00 -1.23 0.00 0.00 61.79 60.23 3hw4 h SER 167 Cb 1.13 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.88 3hw4 h SER 167 CO 0.08 0.73 -0.54 0.03 -0.53 0.00 0.00 176.83 176.60 3hw4 h ARG 168 N 0.73 0.31 -0.74 2.24 3.08 -1.11 -2.77 114.38 116.11 3hw4 h ARG 168 Ca 0.18 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 60.10 3hw4 h ARG 168 Cb 0.23 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 3hw4 h ARG 168 CO -0.01 0.77 0.43 0.00 -1.07 0.00 0.00 179.97 180.10 3hw4 h ALA 169 N 1.19 1.01 -0.36 0.04 0.00 -0.96 -0.83 119.26 119.34 3hw4 h ALA 169 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hw4 h ALA 169 Cb 1.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 3hw4 h ALA 169 CO 0.09 0.14 0.19 0.00 0.00 0.00 0.00 179.25 179.66 3hw4 h ARG 170 N 0.80 0.52 -0.36 0.00 3.08 -1.02 -0.35 114.38 117.05 3hw4 h ARG 170 Ca 0.33 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.33 3hw4 h ARG 170 Cb 0.18 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3hw4 h ARG 170 CO -0.18 0.45 0.20 0.82 -1.07 0.00 0.00 179.97 180.19 3hw4 h ILE 171 N 0.46 1.01 -0.36 2.04 2.04 -1.33 -1.50 117.51 119.88 3hw4 h ILE 171 Ca 0.13 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3hw4 h ILE 171 Cb 0.09 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3hw4 h ILE 171 CO -0.02 0.07 0.06 0.11 0.00 0.00 0.00 178.15 178.37 3hw4 h LYS 172 N 0.41 0.53 -0.16 2.37 1.57 -0.89 -1.57 116.57 118.82 3hw4 h LYS 172 Ca 0.15 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3hw4 h LYS 172 Cb 0.03 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3hw4 h LYS 172 CO -0.09 0.51 -0.00 1.15 -0.57 0.00 0.00 179.45 180.46 3hw4 h THR 173 N 0.52 1.26 -0.99 -0.16 2.02 -0.94 -2.06 112.91 112.55 3hw4 h THR 173 Ca 0.12 -0.85 0.08 0.00 0.77 0.00 0.00 66.41 66.53 3hw4 h THR 173 Cb 0.25 1.50 -0.07 0.00 -1.74 0.00 0.00 68.15 68.08 3hw4 h THR 173 CO 0.00 0.25 0.63 -0.09 0.37 0.00 0.00 175.52 176.68 3hw4 h ARG 174 N 0.04 1.06 -0.85 6.66 9.65 -0.95 -2.11 114.38 127.89 3hw4 h ARG 174 Ca 0.05 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3hw4 h ARG 174 Cb 0.38 -0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.68 3hw4 h ARG 174 CO 0.01 0.70 0.46 -0.07 2.80 0.00 0.00 179.97 183.87 3hw4 h LEU 175 N 1.10 1.06 -0.76 3.80 3.38 -1.02 -1.22 115.31 121.64 3hw4 h LEU 175 Ca 0.45 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.26 3hw4 h LEU 175 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hw4 h LEU 175 CO -0.20 0.85 0.22 -0.26 0.09 0.00 0.00 178.44 179.14 3hw4 h PHE 176 N 1.18 1.20 -0.29 1.13 0.05 -1.03 -1.78 116.94 117.40 3hw4 h PHE 176 Ca 0.30 -0.12 -0.01 0.00 3.82 0.00 0.00 57.97 61.96 3hw4 h PHE 176 Cb 0.03 -0.35 -0.01 0.00 2.00 0.00 0.00 35.95 37.62 3hw4 h PHE 176 CO 0.01 0.95 0.16 1.15 -0.18 0.00 0.00 178.31 180.40 3hw4 h THR 177 N 1.11 1.13 -0.09 -1.55 2.02 -0.86 0.06 112.91 114.74 3hw4 h THR 177 Ca 0.24 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3hw4 h THR 177 Cb 0.32 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 3hw4 h THR 177 CO -0.01 0.13 -0.09 0.40 0.37 0.00 0.00 175.52 176.33 3hw4 h ILE 178 N 0.35 0.75 -0.69 3.11 2.04 -1.13 -0.76 117.51 121.19 3hw4 h ILE 178 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.98 3hw4 h ILE 178 Cb 0.07 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3hw4 h ILE 178 CO -0.02 0.00 0.45 -0.09 0.00 0.00 0.00 178.15 178.49 3hw4 h ARG 179 N -0.11 0.87 -0.30 2.37 2.43 -0.99 0.77 114.38 119.42 3hw4 h ARG 179 Ca 0.06 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 3hw4 h ARG 179 Cb 0.20 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3hw4 h ARG 179 CO -0.15 0.58 -0.37 -0.56 -1.51 0.00 0.00 179.97 177.96 3hw4 h GLN 180 N 0.90 0.70 -0.24 0.20 3.07 -0.81 0.20 115.11 119.13 3hw4 h GLN 180 Ca 0.26 -0.35 -0.15 0.00 0.09 0.00 0.00 58.65 58.50 3hw4 h GLN 180 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.49 3hw4 h GLN 180 CO -0.07 0.95 -0.48 1.49 0.09 0.00 0.00 178.83 180.82 3hw4 h GLU 181 N 0.58 0.63 -0.13 0.06 4.57 -0.89 -0.29 114.58 119.11 3hw4 h GLU 181 Ca 0.05 -0.36 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3hw4 h GLU 181 Cb 0.90 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 3hw4 h GLU 181 CO 0.08 0.97 0.07 0.52 -1.18 0.00 0.00 179.01 179.47 3hw4 h MET 182 N 0.50 0.18 -0.78 1.92 2.86 -0.65 -3.01 114.93 115.94 3hw4 h MET 182 Ca 0.03 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 57.79 3hw4 h MET 182 Cb 1.01 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.55 3hw4 h MET 182 CO 0.09 0.20 0.36 0.00 1.06 0.00 0.00 176.91 178.62 3hw4 h ALA 183 N 0.97 1.14 -0.86 6.32 0.00 -0.28 -0.27 119.26 126.28 3hw4 h ALA 183 Ca 0.05 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.24 3hw4 h ALA 183 Cb 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 3hw4 h ALA 183 CO -0.01 -0.15 0.57 0.77 0.00 0.00 0.00 179.25 180.43 3hw4 h SER 184 N 0.52 0.43 -0.26 0.00 0.02 -0.92 -1.40 113.55 111.94 3hw4 h SER 184 Ca 0.43 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 3hw4 h SER 184 Cb 0.62 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3hw4 h SER 184 CO -0.38 0.19 0.00 0.54 -1.14 0.00 0.00 176.83 176.05 3hw4 n ARG 185 N -4.51 2.38 -1.04 3.45 1.74 -0.23 -4.95 116.66 113.51 3hw4 n ARG 185 Ca 0.18 -2.06 -0.01 0.00 -0.77 0.00 0.00 57.85 55.18 3hw4 n ARG 185 Cb 0.62 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.57 3hw4 n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hw4 n GLY 186 N 1.43 0.50 0.03 -0.13 0.00 -0.53 -0.51 105.19 105.98 3hw4 n GLY 186 Ca 0.18 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3hw4 n GLY 186 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hw4 n LEU 187 N -0.17 0.63 0.02 0.99 7.99 -0.51 -4.43 117.00 121.52 3hw4 n LEU 187 Ca -0.01 -0.00 -0.19 0.00 -0.01 0.00 0.00 56.01 55.79 3hw4 n LEU 187 Cb 0.13 -0.15 -0.11 0.00 -0.11 0.00 0.00 43.42 43.17 3hw4 n LEU 187 CO 0.02 0.07 0.17 -0.25 -1.51 0.00 0.00 177.39 175.89 3hw4 h TRP 188 N 0.00 0.74 -0.58 -1.77 2.91 -1.86 -2.17 115.95 113.23 3hw4 h TRP 188 Ca 0.00 -0.42 0.09 0.00 1.13 0.00 0.00 58.89 59.69 3hw4 h TRP 188 Cb 0.64 -0.08 -0.11 0.00 -0.51 0.00 0.00 29.16 29.11 3hw4 h TRP 188 CO 0.00 1.25 -0.44 0.22 -1.03 0.00 0.00 178.44 178.44 3hw4 h ASP 189 N 0.02 -1.52 -0.16 2.65 1.82 -1.93 0.11 116.42 117.42 3hw4 h ASP 189 Ca -0.10 0.25 -0.02 0.00 -0.39 0.00 0.00 57.03 56.76 3hw4 h ASP 189 Cb 1.48 0.69 -0.01 0.00 0.68 0.00 0.00 39.33 42.17 3hw4 h ASP 189 CO 0.15 -0.34 0.02 -1.28 -1.61 0.00 0.00 179.24 176.18 3hw4 h SER 190 N -0.23 0.26 -0.58 2.28 0.87 -1.83 -3.04 113.55 111.28 3hw4 h SER 190 Ca 0.17 -0.27 0.12 0.00 -1.23 0.00 0.00 61.79 60.58 3hw4 h SER 190 Cb 0.56 -0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 62.34 3hw4 h SER 190 CO -0.69 0.47 -0.13 0.15 -0.53 0.00 0.00 176.83 176.11 3hw4 h PHE 191 N 0.04 -0.27 0.00 2.24 3.57 -0.79 -2.66 116.94 119.06 3hw4 h PHE 191 Ca 0.05 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3hw4 h PHE 191 Cb 0.32 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 3hw4 h PHE 191 CO 0.02 -0.24 -0.14 0.07 -2.23 0.00 0.00 178.31 175.80 3hw4 h ARG 192 N 0.01 0.00 -0.02 1.11 0.11 -0.83 -3.01 114.38 111.76 3hw4 h ARG 192 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 3hw4 h ARG 192 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 3hw4 h ARG 192 CO -0.58 0.14 -0.19 1.04 0.10 0.00 0.00 179.97 180.47 3hw4 n GLN 193 N -3.65 1.79 -0.21 0.08 6.02 -1.03 -4.58 117.38 115.80 3hw4 n GLN 193 Ca -0.02 -1.47 0.06 0.00 -0.01 0.00 0.00 57.00 55.56 3hw4 n GLN 193 Cb 0.26 -1.44 0.16 0.00 1.02 0.00 0.00 30.24 30.24 3hw4 n GLN 193 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hw4 n SER 194 N 0.72 2.98 -4.68 1.08 3.41 -1.07 -4.96 113.62 111.10 3hw4 n SER 194 Ca 0.11 -2.50 -0.43 0.00 -0.26 0.00 0.00 58.87 55.80 3hw4 n SER 194 Cb 0.51 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3hw4 n SER 194 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hw4 s GLU 195 N -1.88 4.36 0.37 4.33 2.12 -1.26 -4.99 118.70 121.75 3hw4 s GLU 195 Ca 0.26 1.34 0.08 0.00 0.36 0.00 0.00 54.97 57.02 3hw4 s GLU 195 Cb 0.19 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 3hw4 s GLU 195 CO 0.09 -0.41 0.17 -0.98 -0.54 0.00 0.00 175.26 173.59 3hw4 s ARG 196 N 2.37 2.32 0.55 4.30 1.70 -1.26 -4.99 118.95 123.94 3hw4 s ARG 196 Ca 0.46 -1.66 -0.21 0.00 -0.47 0.00 0.00 55.73 53.85 3hw4 s ARG 196 Cb -0.17 -2.11 -0.05 0.00 -0.57 0.00 0.00 34.95 32.05 3hw4 s ARG 196 CO 0.14 0.01 1.27 0.20 -1.08 0.00 0.00 175.30 175.84 3hw4 s GLY 197 N -3.88 2.82 0.00 3.88 0.00 -1.26 -5.17 107.32 103.72 3hw4 s GLY 197 Ca 0.40 1.15 0.29 0.00 0.00 0.00 0.00 44.72 46.56 3hw4 s GLY 197 CO 0.23 1.61 1.88 -1.84 0.00 0.00 0.00 173.10 174.99