#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 1.57 0.86 1.53 2.96 -1.26 -5.08 118.68 119.25 3hw4 s LEU -2 Ca 0.00 -1.33 -0.11 0.00 -0.22 0.00 0.00 54.13 52.47 3hw4 s LEU -2 Cb 0.00 -0.68 0.10 0.00 0.50 0.00 0.00 46.19 46.12 3hw4 s LEU -2 CO 0.00 -0.39 1.09 -0.83 -1.32 0.00 0.00 176.35 174.90 3hw4 s GLY -1 N 1.79 1.63 0.36 7.98 0.00 -1.26 -5.06 107.32 112.76 3hw4 s GLY -1 Ca 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 44.72 44.75 3hw4 s GLY -1 CO -0.23 0.46 0.64 -1.35 0.00 0.00 0.00 173.10 172.62 3hw4 s SER 0 N -3.45 6.40 0.19 1.64 1.04 -1.26 -4.99 113.70 113.26 3hw4 s SER 0 Ca 0.63 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 57.72 3hw4 s SER 0 Cb -0.17 -2.18 0.18 0.00 0.10 0.00 0.00 66.02 63.94 3hw4 s SER 0 CO 0.56 -0.32 1.76 -0.03 0.98 0.00 0.00 173.24 176.19 3hw4 h MET 1 N 1.16 0.39 -0.62 4.02 4.05 -1.97 -1.23 114.93 120.73 3hw4 h MET 1 Ca -0.48 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 58.95 3hw4 h MET 1 Cb 1.20 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.87 3hw4 h MET 1 CO 0.64 0.26 0.38 1.49 0.23 0.00 0.00 176.91 179.90 3hw4 h GLU 2 N 0.40 0.71 -0.54 0.39 4.81 -1.90 -0.60 114.58 117.85 3hw4 h GLU 2 Ca 0.24 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3hw4 h GLU 2 Cb 0.24 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3hw4 h GLU 2 CO -0.23 0.47 0.14 -0.44 -0.73 0.00 0.00 179.01 178.22 3hw4 h ASP 3 N 0.73 0.76 0.17 1.04 3.45 -1.85 -2.85 116.42 117.87 3hw4 h ASP 3 Ca 0.26 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.58 3hw4 h ASP 3 Cb 0.05 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.62 3hw4 h ASP 3 CO -0.12 0.74 -0.10 0.15 -1.57 0.00 0.00 179.24 178.35 3hw4 h PHE 4 N 0.79 -0.25 -0.30 4.55 3.57 -0.13 -2.16 116.94 123.01 3hw4 h PHE 4 Ca 0.18 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3hw4 h PHE 4 Cb 0.28 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 3hw4 h PHE 4 CO 0.02 -0.15 -0.14 0.28 -2.23 0.00 0.00 178.31 176.09 3hw4 h VAL 5 N -0.25 0.56 -0.91 1.41 2.07 -1.07 0.45 116.25 118.51 3hw4 h VAL 5 Ca -0.02 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.68 3hw4 h VAL 5 Cb 0.21 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 3hw4 h VAL 5 CO 0.02 0.00 0.59 0.03 0.02 0.00 0.00 177.57 178.24 3hw4 h ARG 6 N -0.09 0.55 0.00 1.57 3.08 -1.49 -1.80 114.38 116.20 3hw4 h ARG 6 Ca 0.16 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.98 3hw4 h ARG 6 Cb 0.33 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3hw4 h ARG 6 CO -0.36 0.36 -1.44 -0.56 -1.07 0.00 0.00 179.97 176.90 3hw4 h GLN 7 N 0.57 0.00 0.05 0.04 -0.00 -0.81 -3.40 115.11 111.55 3hw4 h GLN 7 Ca 0.48 0.00 -0.24 0.00 -0.00 0.00 0.00 58.65 58.89 3hw4 h GLN 7 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.45 3hw4 h GLN 7 CO -0.22 0.34 -1.04 0.00 -0.00 0.00 0.00 178.83 177.90 3hw4 s PHE 9 N -3.02 2.83 0.33 0.00 0.40 -0.88 -5.08 117.98 112.56 3hw4 s PHE 9 Ca -0.04 -0.12 -0.29 0.00 -0.60 0.00 0.00 56.93 55.88 3hw4 s PHE 9 Cb 0.08 -1.45 -0.12 0.00 0.51 0.00 0.00 43.02 42.04 3hw4 s PHE 9 CO 0.87 0.46 1.33 -1.71 0.70 0.00 0.00 175.22 176.87 3hw4 n ASN 10 N 0.48 2.89 -0.32 1.36 2.85 -1.26 -4.79 115.26 116.46 3hw4 n ASN 10 Ca -0.12 1.20 0.16 0.00 -0.11 0.00 0.00 54.58 55.71 3hw4 n ASN 10 Cb 0.53 -1.49 0.36 0.00 1.24 0.00 0.00 39.78 40.41 3hw4 n ASN 10 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3hw4 h PRO 11 N 2.90 0.44 -0.51 1.20 0.11 -1.97 -0.17 132.00 133.99 3hw4 h PRO 11 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 3hw4 h PRO 11 Cb 1.28 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3hw4 h PRO 11 CO 0.65 0.29 0.05 1.98 -0.21 0.00 0.00 178.00 180.77 3hw4 h MET 12 N 0.46 0.83 -0.36 1.05 1.85 -1.99 0.23 114.93 117.00 3hw4 h MET 12 Ca 0.61 -0.20 -0.10 0.00 -0.61 0.00 0.00 59.70 59.40 3hw4 h MET 12 Cb 1.20 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 33.11 3hw4 h MET 12 CO -0.52 0.80 -0.15 0.82 -0.40 0.00 0.00 176.91 177.45 3hw4 h ILE 13 N 0.78 1.28 -0.95 1.77 1.08 -1.45 -1.98 117.51 118.05 3hw4 h ILE 13 Ca 0.16 -1.26 -0.00 0.00 -0.39 0.00 0.00 64.86 63.37 3hw4 h ILE 13 Cb 0.40 1.34 -0.05 0.00 -3.07 0.00 0.00 36.82 35.44 3hw4 h ILE 13 CO 0.01 0.42 0.59 0.58 -0.69 0.00 0.00 178.15 179.06 3hw4 h VAL 14 N 0.53 1.25 -0.57 1.67 2.07 -0.66 -1.00 116.25 119.54 3hw4 h VAL 14 Ca 0.08 -0.53 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 3hw4 h VAL 14 Cb 0.69 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3hw4 h VAL 14 CO 0.05 0.26 0.12 -0.08 0.02 0.00 0.00 177.57 177.93 3hw4 h GLU 15 N 1.30 0.92 -0.00 1.57 4.81 -0.41 -0.84 114.58 121.93 3hw4 h GLU 15 Ca 0.34 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 3hw4 h GLU 15 Cb -0.09 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3hw4 h GLU 15 CO -0.07 0.87 -0.59 -0.07 -0.73 0.00 0.00 179.01 178.43 3hw4 h LEU 16 N 0.82 0.00 -0.33 1.64 3.38 -0.89 -1.68 115.31 118.26 3hw4 h LEU 16 Ca 0.18 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3hw4 h LEU 16 Cb 0.38 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hw4 h LEU 16 CO 0.01 0.59 -0.16 0.00 0.09 0.00 0.00 178.44 178.96 3hw4 h ALA 17 N 1.41 0.46 0.14 1.53 0.00 -0.63 -1.16 119.26 121.01 3hw4 h ALA 17 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3hw4 h ALA 17 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hw4 h ALA 17 CO 0.08 0.37 -0.07 0.93 0.00 0.00 0.00 179.25 180.56 3hw4 h GLU 18 N 0.45 -0.19 -0.70 0.00 5.08 -0.99 -0.64 114.58 117.59 3hw4 h GLU 18 Ca 0.07 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.60 3hw4 h GLU 18 Cb 0.70 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 29.87 3hw4 h GLU 18 CO 0.05 0.02 -0.03 0.87 -1.00 0.00 0.00 179.01 178.93 3hw4 h LYS 19 N -0.37 0.09 -0.53 2.33 6.56 -1.35 0.49 116.57 123.79 3hw4 h LYS 19 Ca -0.02 -0.01 -0.07 0.00 -1.06 0.00 0.00 60.65 59.49 3hw4 h LYS 19 Cb 0.30 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.91 3hw4 h LYS 19 CO 0.03 0.06 0.05 0.00 -2.06 0.00 0.00 179.45 177.53 3hw4 h ALA 20 N 1.66 1.08 -0.05 3.86 0.00 -1.07 0.20 119.26 124.93 3hw4 h ALA 20 Ca 0.37 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3hw4 h ALA 20 Cb 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3hw4 h ALA 20 CO -0.63 0.59 -0.28 0.52 0.00 0.00 0.00 179.25 179.45 3hw4 h MET 21 N 0.82 0.28 -0.70 0.00 2.86 0.21 -3.21 114.93 115.19 3hw4 h MET 21 Ca 0.16 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 3hw4 h MET 21 Cb 0.42 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.08 3hw4 h MET 21 CO 0.01 0.88 0.41 0.87 1.06 0.00 0.00 176.91 180.14 3hw4 h LYS 22 N -0.24 0.73 -0.61 1.72 1.57 -0.03 0.73 116.57 120.45 3hw4 h LYS 22 Ca -0.02 -0.04 0.18 0.00 -1.87 0.00 0.00 60.65 58.89 3hw4 h LYS 22 Cb 0.94 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 3hw4 h LYS 22 CO 0.06 0.48 0.64 1.49 -0.57 0.00 0.00 179.45 181.55 3hw4 h GLU 23 N 0.75 0.00 -0.02 3.15 4.81 -0.68 0.53 114.58 123.13 3hw4 h GLU 23 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3hw4 h GLU 23 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 3hw4 h GLU 23 CO -0.17 0.00 -0.09 0.66 -0.73 0.00 0.00 179.01 178.67 3hw4 n TYR 24 N -3.65 0.00 -1.42 0.92 4.02 0.08 -4.98 117.16 112.13 3hw4 n TYR 24 Ca 0.12 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.87 3hw4 n TYR 24 Cb 0.87 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 40.12 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 1.07 1.50 3.83 2.72 0.00 0.19 -5.01 105.19 109.49 3hw4 n GLY 25 Ca 0.10 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.23 4.14 -0.21 1.61 2.02 -0.29 -4.95 118.70 117.79 3hw4 s GLU 26 Ca 0.00 0.89 -0.06 0.00 0.02 0.00 0.00 54.97 55.83 3hw4 s GLU 26 Cb 0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 3hw4 s GLU 26 CO 0.00 0.11 0.02 0.34 0.02 0.00 0.00 175.26 175.75 3hw4 s ASP 27 N -2.16 4.94 0.55 -0.19 3.68 -1.26 -3.57 116.67 118.67 3hw4 s ASP 27 Ca 0.56 -0.19 0.26 0.00 2.13 0.00 0.00 52.55 55.31 3hw4 s ASP 27 Cb -0.11 -1.86 1.48 0.00 -1.45 0.00 0.00 42.92 40.99 3hw4 s ASP 27 CO 0.16 0.04 2.04 -0.65 0.13 0.00 0.00 175.17 176.90 3hw4 h PRO 28 N 7.65 0.00 0.00 4.34 0.11 -1.93 0.78 132.00 142.95 3hw4 h PRO 28 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3hw4 h PRO 28 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hw4 h PRO 28 CO 0.61 0.00 -0.00 0.87 -0.21 0.00 0.00 178.00 179.27 3hw4 h LYS 29 N 0.00 0.00 0.00 1.05 1.57 -1.98 -3.35 116.57 113.86 3hw4 h LYS 29 Ca 0.16 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.68 3hw4 h LYS 29 Cb 0.71 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 3hw4 h LYS 29 CO -0.00 0.00 -1.88 -0.89 -0.57 0.00 0.00 179.45 176.11 3hw4 n ILE 30 N -3.10 0.88 -3.32 1.86 5.41 -0.18 -4.79 119.36 116.12 3hw4 n ILE 30 Ca 0.03 -0.27 -0.44 0.00 1.00 0.00 0.00 62.75 63.07 3hw4 n ILE 30 Cb 0.44 -1.44 -0.00 0.00 -0.71 0.00 0.00 39.64 37.93 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 -3.40 3.60 0.03 0.38 1.02 0.09 -4.79 120.64 117.56 3hw4 n GLU 31 Ca -0.30 -4.47 -0.01 0.00 -0.02 0.00 0.00 57.16 52.36 3hw4 n GLU 31 Cb 0.75 -2.53 -0.09 0.00 -0.02 0.00 0.00 31.44 29.55 3hw4 n GLU 31 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3hw4 h THR 32 N 3.64 0.55 -0.36 2.62 1.35 -1.83 -0.32 112.91 118.55 3hw4 h THR 32 Ca 0.18 -2.08 -0.09 0.00 -0.55 0.00 0.00 66.41 63.87 3hw4 h THR 32 Cb 0.83 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 69.33 3hw4 h THR 32 CO 1.05 0.31 -0.11 0.78 -0.25 0.00 0.00 175.52 177.30 3hw4 h ASN 33 N 0.00 0.73 -0.66 5.36 2.35 -1.91 -1.88 115.58 119.57 3hw4 h ASN 33 Ca -0.18 -0.38 -0.07 0.00 -0.55 0.00 0.00 56.30 55.13 3hw4 h ASN 33 Cb 1.64 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 39.78 3hw4 h ASN 33 CO 0.05 0.94 0.14 0.50 -1.65 0.00 0.00 177.43 177.41 3hw4 h LYS 34 N 0.51 1.09 -0.23 0.81 3.64 -1.93 0.46 116.57 120.93 3hw4 h LYS 34 Ca 0.09 -0.27 0.05 0.00 -1.27 0.00 0.00 60.65 59.24 3hw4 h LYS 34 Cb 0.63 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 3hw4 h LYS 34 CO 0.04 0.98 -0.06 0.35 -2.27 0.00 0.00 179.45 178.49 3hw4 h PHE 35 N 1.03 -0.13 -0.23 1.91 -0.00 -0.95 -0.69 116.94 117.88 3hw4 h PHE 35 Ca 0.21 0.02 0.02 0.00 -0.00 0.00 0.00 57.97 58.22 3hw4 h PHE 35 Cb 0.40 0.09 -0.02 0.00 -0.00 0.00 0.00 35.95 36.41 3hw4 h PHE 35 CO 0.03 -0.10 0.08 0.00 -0.00 0.00 0.00 178.31 178.31 3hw4 h ALA 36 N 1.22 0.25 -0.81 2.41 0.00 -0.93 -2.40 119.26 119.00 3hw4 h ALA 36 Ca 0.11 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3hw4 h ALA 36 Cb 0.17 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3hw4 h ALA 36 CO -0.24 -0.34 0.51 0.00 0.00 0.00 0.00 179.25 179.18 3hw4 h ALA 37 N 1.14 1.09 -0.40 0.00 0.00 -0.32 -1.99 119.26 118.78 3hw4 h ALA 37 Ca 0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3hw4 h ALA 37 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hw4 h ALA 37 CO -0.10 0.29 -0.27 0.82 0.00 0.00 0.00 179.25 179.99 3hw4 h ILE 38 N 0.97 1.28 -0.41 0.00 2.04 -1.06 0.63 117.51 120.96 3hw4 h ILE 38 Ca 0.34 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.78 3hw4 h ILE 38 Cb 0.08 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3hw4 h ILE 38 CO -0.14 0.48 0.25 0.00 0.00 0.00 0.00 178.15 178.74 3hw4 h THR 40 N 0.51 1.12 -0.28 0.00 2.02 -0.95 0.68 112.91 116.01 3hw4 h THR 40 Ca 0.16 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 3hw4 h THR 40 Cb -0.01 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3hw4 h THR 40 CO -0.07 0.11 0.09 -0.74 0.37 0.00 0.00 175.52 175.28 3hw4 h HIS 41 N 0.19 0.45 -0.21 3.16 6.17 -0.69 -1.15 115.15 123.07 3hw4 h HIS 41 Ca 0.07 -0.05 0.06 0.00 0.71 0.00 0.00 60.37 61.16 3hw4 h HIS 41 Cb 0.09 -0.13 -0.07 0.00 2.52 0.00 0.00 27.41 29.83 3hw4 h HIS 41 CO -0.03 0.48 -0.24 -0.07 0.71 0.00 0.00 177.93 178.78 3hw4 h LEU 42 N 0.29 -0.77 -0.72 0.26 3.38 -0.21 -0.65 115.31 116.89 3hw4 h LEU 42 Ca 0.09 0.13 0.12 0.00 0.09 0.00 0.00 57.88 58.32 3hw4 h LEU 42 Cb 0.25 0.36 -0.09 0.00 0.09 0.00 0.00 40.66 41.27 3hw4 h LEU 42 CO -0.00 -0.28 0.30 -0.08 0.09 0.00 0.00 178.44 178.46 3hw4 h GLU 43 N -0.27 0.45 -0.33 1.13 4.81 -0.37 -1.13 114.58 118.88 3hw4 h GLU 43 Ca 0.13 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 3hw4 h GLU 43 Cb 0.46 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3hw4 h GLU 43 CO -0.36 0.30 -0.03 0.28 -0.73 0.00 0.00 179.01 178.47 3hw4 h VAL 44 N 0.47 1.27 -0.56 0.32 2.07 -0.61 -0.61 116.25 118.59 3hw4 h VAL 44 Ca 0.38 -1.02 0.09 0.00 0.82 0.00 0.00 66.70 66.97 3hw4 h VAL 44 Cb 0.53 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 3hw4 h VAL 44 CO -0.36 0.33 0.19 0.00 0.02 0.00 0.00 177.57 177.75 3hw4 h PHE 46 N 0.36 0.89 -0.71 0.00 0.04 -0.85 -2.23 116.94 114.45 3hw4 h PHE 46 Ca 0.28 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.96 3hw4 h PHE 46 Cb 0.34 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.17 3hw4 h PHE 46 CO -0.18 0.63 0.17 0.52 -0.60 0.00 0.00 178.31 178.85 3hw4 h MET 47 N 0.90 1.14 -0.51 1.51 2.86 -0.56 -2.78 114.93 117.48 3hw4 h MET 47 Ca 0.23 -0.27 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3hw4 h MET 47 Cb 0.02 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3hw4 h MET 47 CO -0.04 1.00 0.29 -0.92 1.06 0.00 0.00 176.91 178.30 3hw4 h TYR 48 N 1.08 0.66 -3.50 -0.22 5.03 -0.26 -3.50 116.97 116.26 3hw4 h TYR 48 Ca 0.22 0.00 -0.50 0.00 2.58 0.00 0.00 58.73 61.04 3hw4 h TYR 48 Cb 0.37 -0.22 0.01 0.00 1.55 0.00 0.00 36.73 38.45 3hw4 h TYR 48 CO 0.03 0.45 0.04 -1.54 -1.32 0.00 0.00 178.16 175.82 3hw4 s SER 49 N -6.59 6.41 0.00 -2.11 1.04 -0.87 -5.04 113.70 106.53 3hw4 s SER 49 Ca -0.09 0.94 0.00 0.00 0.48 0.00 0.00 55.95 57.28 3hw4 s SER 49 Cb 0.17 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 64.05 3hw4 s SER 49 CO 0.75 -0.41 0.00 -1.14 0.98 0.00 0.00 173.24 173.42 3hw4 n ARG 75 N -1.57 0.00 -4.75 4.02 0.63 -1.26 -5.01 116.66 108.73 3hw4 n ARG 75 Ca 0.00 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.60 3hw4 n ARG 75 Cb 0.54 -1.57 -0.14 0.00 0.45 0.00 0.00 32.46 31.75 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 2.82 -0.14 -0.14 0.40 -1.26 -0.83 117.98 118.83 3hw4 s PHE 76 Ca 0.00 -0.47 -0.16 0.00 -0.60 0.00 0.00 56.93 55.70 3hw4 s PHE 76 Cb 0.00 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.68 3hw4 s PHE 76 CO 0.00 -0.08 0.39 -2.00 0.70 0.00 0.00 175.22 174.23 3hw4 s GLU 77 N 0.07 4.30 -0.10 0.44 2.56 -0.53 -4.94 118.70 120.50 3hw4 s GLU 77 Ca -0.05 0.29 -0.21 0.00 0.00 0.00 0.00 54.97 55.00 3hw4 s GLU 77 Cb -0.14 -3.43 -0.04 0.00 2.00 0.00 0.00 34.13 32.52 3hw4 s GLU 77 CO 0.04 0.19 0.59 0.42 -0.56 0.00 0.00 175.26 175.95 3hw4 s ILE 78 N 0.55 5.11 -0.04 -3.70 1.01 -1.26 -1.00 121.20 121.88 3hw4 s ILE 78 Ca 0.22 1.20 0.01 0.00 0.00 0.00 0.00 60.65 62.07 3hw4 s ILE 78 Cb -0.14 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 3hw4 s ILE 78 CO 0.07 0.28 -0.02 -0.38 0.00 0.00 0.00 174.94 174.89 3hw4 n ILE 79 N 3.79 0.23 -1.94 2.92 5.41 -0.34 -4.95 119.36 124.47 3hw4 n ILE 79 Ca -0.04 -0.10 -0.39 0.00 1.00 0.00 0.00 62.75 63.22 3hw4 n ILE 79 Cb 0.51 -0.72 0.02 0.00 -0.71 0.00 0.00 39.64 38.74 3hw4 n ILE 79 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3hw4 s GLU 80 N -2.08 3.55 0.00 0.38 2.56 -0.66 -2.93 118.70 119.52 3hw4 s GLU 80 Ca -0.04 2.16 0.00 0.00 0.00 0.00 0.00 54.97 57.08 3hw4 s GLU 80 Cb 0.01 -2.47 0.00 0.00 2.00 0.00 0.00 34.13 33.67 3hw4 s GLU 80 CO 0.10 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.38 3hw4 n GLY 81 N 0.63 1.21 3.92 -1.50 0.00 -1.26 -5.04 105.19 103.15 3hw4 n GLY 81 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.91 3.51 0.80 1.61 0.52 -1.15 -5.01 118.95 118.32 3hw4 s ARG 82 Ca 0.00 -0.35 -0.14 0.00 -0.52 0.00 0.00 55.73 54.72 3hw4 s ARG 82 Cb 0.00 -2.90 0.04 0.00 0.52 0.00 0.00 34.95 32.61 3hw4 s ARG 82 CO 0.00 0.47 0.93 -0.25 0.02 0.00 0.00 175.30 176.47 3hw4 n ASP 83 N -0.31 0.08 -0.19 0.23 9.92 -1.26 -4.63 116.55 120.39 3hw4 n ASP 83 Ca -0.05 0.56 -0.00 0.00 -0.53 0.00 0.00 54.79 54.78 3hw4 n ASP 83 Cb 0.53 -1.40 0.09 0.00 -0.64 0.00 0.00 41.12 39.71 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 -0.81 0.17 -0.23 -1.24 3.08 -1.97 0.15 114.38 113.53 3hw4 h ARG 84 Ca -0.46 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.62 3hw4 h ARG 84 Cb 1.31 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.29 3hw4 h ARG 84 CO 0.44 0.12 0.01 1.15 -1.07 0.00 0.00 179.97 180.61 3hw4 h THR 85 N 0.18 0.85 -0.46 2.04 2.02 -1.99 0.11 112.91 115.66 3hw4 h THR 85 Ca 0.30 -0.03 -0.10 0.00 0.77 0.00 0.00 66.41 67.35 3hw4 h THR 85 Cb 0.46 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3hw4 h THR 85 CO -0.44 0.02 -0.09 -0.03 0.37 0.00 0.00 175.52 175.34 3hw4 h MET 86 N 0.09 0.88 -0.26 6.66 1.85 -1.69 -1.70 114.93 120.75 3hw4 h MET 86 Ca 0.11 -0.33 -0.00 0.00 -0.61 0.00 0.00 59.70 58.87 3hw4 h MET 86 Cb 0.13 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 3hw4 h MET 86 CO -0.17 0.97 0.16 0.00 -0.40 0.00 0.00 176.91 177.47 3hw4 h ALA 87 N 0.88 0.33 -0.40 0.39 0.00 -0.51 -1.17 119.26 118.79 3hw4 h ALA 87 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3hw4 h ALA 87 Cb 0.63 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3hw4 h ALA 87 CO 0.04 -0.16 -0.02 -1.49 0.00 0.00 0.00 179.25 177.62 3hw4 h TRP 88 N 0.33 0.68 -0.33 0.00 4.06 -0.98 -1.72 115.95 117.99 3hw4 h TRP 88 Ca 0.09 -0.09 -0.09 0.00 2.06 0.00 0.00 58.89 60.86 3hw4 h TRP 88 Cb 0.01 -0.19 -0.02 0.00 -1.00 0.00 0.00 29.16 27.97 3hw4 h TRP 88 CO -0.05 0.66 -0.19 0.00 -3.56 0.00 0.00 178.44 175.31 3hw4 h THR 89 N 0.61 1.26 -0.32 1.49 1.03 -0.73 0.77 112.91 117.02 3hw4 h THR 89 Ca 0.12 -1.21 -0.05 0.00 -0.01 0.00 0.00 66.41 65.26 3hw4 h THR 89 Cb 0.42 1.21 -0.01 0.00 -1.07 0.00 0.00 68.15 68.69 3hw4 h THR 89 CO 0.02 0.40 0.00 1.62 -0.01 0.00 0.00 175.52 177.55 3hw4 h VAL 90 N 0.55 1.26 -0.11 0.00 3.04 -1.07 -1.60 116.25 118.32 3hw4 h VAL 90 Ca 0.09 -0.95 0.02 0.00 -1.01 0.00 0.00 66.70 64.85 3hw4 h VAL 90 Cb 0.63 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 3hw4 h VAL 90 CO 0.04 0.31 0.01 0.58 -1.01 0.00 0.00 177.57 177.50 3hw4 h VAL 91 N 0.36 0.93 -0.89 1.51 2.07 -1.11 -1.57 116.25 117.56 3hw4 h VAL 91 Ca 0.09 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 3hw4 h VAL 91 Cb 0.44 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3hw4 h VAL 91 CO 0.02 0.01 0.55 0.78 0.02 0.00 0.00 177.57 178.95 3hw4 h ASN 92 N 0.05 1.06 -0.46 0.57 -0.26 -0.80 -0.36 115.58 115.38 3hw4 h ASN 92 Ca 0.05 -0.06 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 3hw4 h ASN 92 Cb 0.05 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.03 3hw4 h ASN 92 CO -0.08 0.80 -0.20 0.77 -1.06 0.00 0.00 177.43 177.66 3hw4 h SER 93 N 1.22 0.99 -0.50 5.81 4.64 -0.95 -1.34 113.55 123.42 3hw4 h SER 93 Ca 0.32 -0.36 0.04 0.00 -0.47 0.00 0.00 61.79 61.32 3hw4 h SER 93 Cb -0.08 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.70 3hw4 h SER 93 CO -0.06 1.15 0.26 0.40 -0.87 0.00 0.00 176.83 177.71 3hw4 h ILE 94 N 0.84 0.98 -0.61 0.95 2.04 -0.92 -1.65 117.51 119.14 3hw4 h ILE 94 Ca 0.11 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 3hw4 h ILE 94 Cb 0.76 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3hw4 h ILE 94 CO 0.06 0.09 0.02 0.00 0.00 0.00 0.00 178.15 178.32 3hw4 h ASN 96 N 0.97 0.00 0.00 0.00 -1.07 -1.06 0.23 115.58 114.65 3hw4 h ASN 96 Ca 0.18 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.52 3hw4 h ASN 96 Cb 0.54 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.79 3hw4 h ASN 96 CO 0.03 0.54 -0.14 0.74 0.07 0.00 0.00 177.43 178.67 3hw4 h THR 97 N 0.00 1.34 0.00 6.14 2.02 -1.10 -3.35 112.91 117.96 3hw4 h THR 97 Ca -0.01 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.12 3hw4 h THR 97 Cb 1.27 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 3hw4 h THR 97 CO 0.07 0.45 -0.51 0.71 0.37 0.00 0.00 175.52 176.61 3hw4 h THR 98 N -1.00 0.00 0.00 3.16 1.35 -0.95 -3.47 112.91 112.00 3hw4 h THR 98 Ca -0.04 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3hw4 h THR 98 Cb 0.84 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3hw4 h THR 98 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 3hw4 n GLY 99 N 1.20 2.76 3.72 5.82 0.00 0.80 -5.01 105.19 114.48 3hw4 n GLY 99 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3hw4 n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hw4 s VAL 100 N -2.19 2.21 0.26 1.61 1.01 -1.22 -4.88 120.40 117.20 3hw4 s VAL 100 Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.78 3hw4 s VAL 100 Cb 0.00 -2.71 -0.12 0.00 0.00 0.00 0.00 36.38 33.55 3hw4 s VAL 100 CO 0.00 -0.05 1.54 1.21 0.00 0.00 0.00 175.10 177.80 3hw4 n GLU 101 N -2.70 2.46 -2.60 2.72 2.13 -1.26 -4.59 120.64 116.79 3hw4 n GLU 101 Ca 0.14 0.87 -0.42 0.00 0.66 0.00 0.00 57.16 58.42 3hw4 n GLU 101 Cb 0.50 -2.62 -0.03 0.00 0.27 0.00 0.00 31.44 29.56 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 -0.27 4.55 0.56 5.31 2.20 -1.26 -5.00 119.74 125.83 3hw4 s LYS 102 Ca 0.67 1.57 -0.18 0.00 -0.36 0.00 0.00 55.97 57.68 3hw4 s LYS 102 Cb -0.56 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.33 3hw4 s LYS 102 CO 0.47 -0.05 1.07 -1.25 -0.36 0.00 0.00 175.35 175.23 3hw4 s PRO 103 N 0.66 3.39 0.17 4.03 0.04 -1.26 -4.98 135.00 137.06 3hw4 s PRO 103 Ca 0.53 1.35 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 3hw4 s PRO 103 Cb -0.25 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.30 3hw4 s PRO 103 CO 0.30 -0.77 1.46 0.87 0.04 0.00 0.00 177.00 178.90 3hw4 h LYS 104 N 0.84 0.61 -6.37 4.56 1.79 -1.95 -3.44 116.57 112.61 3hw4 h LYS 104 Ca -0.48 -0.41 -0.69 0.00 -2.18 0.00 0.00 60.65 56.89 3hw4 h LYS 104 Cb 1.23 0.06 -0.24 0.00 -1.58 0.00 0.00 32.23 31.69 3hw4 h LYS 104 CO 0.57 1.02 -0.79 -0.06 -1.08 0.00 0.00 179.45 179.12 3hw4 s PHE 105 N -3.95 2.64 -0.11 -1.35 0.08 -1.26 -5.08 117.98 108.96 3hw4 s PHE 105 Ca -0.08 -0.20 -0.36 0.00 0.12 0.00 0.00 56.93 56.41 3hw4 s PHE 105 Cb 0.11 -1.61 -0.13 0.00 -0.57 0.00 0.00 43.02 40.82 3hw4 s PHE 105 CO 0.85 0.15 1.79 1.28 -0.10 0.00 0.00 175.22 179.19 3hw4 n LEU 106 N 2.33 3.03 0.00 -0.37 4.77 -1.26 -4.99 117.00 120.50 3hw4 n LEU 106 Ca -0.17 1.02 -0.20 0.00 -0.03 0.00 0.00 56.01 56.63 3hw4 n LEU 106 Cb 0.52 -1.30 0.12 0.00 -2.33 0.00 0.00 43.42 40.43 3hw4 n LEU 106 CO 0.25 -0.23 0.54 -0.81 -1.33 0.00 0.00 177.39 175.80 3hw4 n PRO 107 N 5.75 -0.31 -0.12 3.23 -0.04 -1.26 -5.06 135.00 137.19 3hw4 n PRO 107 Ca 0.23 -2.06 -0.16 0.00 -0.04 0.00 0.00 63.50 61.47 3hw4 n PRO 107 Cb 0.24 -0.72 -0.13 0.00 -0.04 0.00 0.00 33.50 32.85 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 -3.16 1.48 -4.14 3.54 8.00 0.67 -4.20 116.55 118.74 3hw4 n ASP 108 Ca 0.14 -0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.45 3hw4 n ASP 108 Cb 0.48 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.41 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 -6.27 2.11 -0.06 0.64 1.43 -0.74 -1.20 118.68 114.59 3hw4 s LEU 109 Ca -0.28 -1.12 0.06 0.00 -1.03 0.00 0.00 54.13 51.75 3hw4 s LEU 109 Cb 0.08 0.19 -0.01 0.00 0.03 0.00 0.00 46.19 46.48 3hw4 s LEU 109 CO 0.66 -0.65 -0.24 -0.47 0.23 0.00 0.00 176.35 175.89 3hw4 s TYR 110 N -3.93 2.46 -0.39 0.29 5.04 -0.17 -0.59 117.35 120.07 3hw4 s TYR 110 Ca 0.18 -0.63 -0.11 0.00 -2.44 0.00 0.00 57.07 54.06 3hw4 s TYR 110 Cb 0.07 -1.60 0.04 0.00 0.35 0.00 0.00 41.96 40.82 3hw4 s TYR 110 CO -0.02 -0.16 0.23 0.34 -1.34 0.00 0.00 175.55 174.59 3hw4 s ASP 111 N -0.25 5.76 0.47 4.32 3.68 0.71 -1.45 116.67 129.91 3hw4 s ASP 111 Ca -0.01 -1.07 0.29 0.00 2.13 0.00 0.00 52.55 53.89 3hw4 s ASP 111 Cb -0.13 -2.03 0.91 0.00 -1.45 0.00 0.00 42.92 40.22 3hw4 s ASP 111 CO 0.03 -0.42 1.81 1.88 0.13 0.00 0.00 175.17 178.60 3hw4 h TYR 112 N 8.46 0.00 0.12 -5.34 0.05 -1.28 0.19 116.97 119.17 3hw4 h TYR 112 Ca -0.25 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.52 3hw4 h TYR 112 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 3hw4 h TYR 112 CO 0.58 0.00 -0.06 -0.22 -1.05 0.00 0.00 178.16 177.41 3hw4 h LYS 113 N 0.00 -0.15 -0.00 4.88 1.63 -1.93 -3.32 116.57 117.68 3hw4 h LYS 113 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3hw4 h LYS 113 Cb 0.71 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 3hw4 h LYS 113 CO 0.00 0.30 -0.05 0.39 -3.45 0.00 0.00 179.45 176.64 3hw4 n GLU 114 N -4.86 0.17 -3.59 1.90 -0.58 -1.23 -4.97 120.64 107.49 3hw4 n GLU 114 Ca -0.07 -0.02 -0.25 0.00 -0.42 0.00 0.00 57.16 56.40 3hw4 n GLU 114 Cb 0.26 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.66 3hw4 n GLU 114 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hw4 n ASN 115 N -1.40 -5.70 -3.62 1.62 4.13 0.62 -5.03 115.26 105.89 3hw4 n ASN 115 Ca 0.09 -0.85 -0.16 0.00 1.68 0.00 0.00 54.58 55.35 3hw4 n ASN 115 Cb 0.31 -3.44 -0.07 0.00 -1.54 0.00 0.00 39.78 35.03 3hw4 n ASN 115 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hw4 s ARG 116 N -5.29 0.87 0.59 3.52 1.70 -0.83 -4.98 118.95 114.53 3hw4 s ARG 116 Ca 0.32 0.32 -0.15 0.00 -0.47 0.00 0.00 55.73 55.76 3hw4 s ARG 116 Cb -0.11 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 3hw4 s ARG 116 CO 0.85 -0.23 1.04 -0.06 -1.08 0.00 0.00 175.30 175.82 3hw4 s PHE 117 N -0.80 3.17 -0.05 5.89 0.40 -1.26 -0.21 117.98 125.12 3hw4 s PHE 117 Ca -0.08 1.47 0.04 0.00 -0.60 0.00 0.00 56.93 57.75 3hw4 s PHE 117 Cb -0.02 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.59 3hw4 s PHE 117 CO 0.06 -0.92 -0.16 0.42 0.70 0.00 0.00 175.22 175.32 3hw4 s ILE 118 N -2.64 1.38 -0.24 0.64 1.01 0.24 -1.32 121.20 120.28 3hw4 s ILE 118 Ca 0.61 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 60.50 3hw4 s ILE 118 Cb -0.14 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3hw4 s ILE 118 CO 0.39 0.40 0.13 -0.70 0.00 0.00 0.00 174.94 175.17 3hw4 s GLU 119 N 0.25 3.98 -0.19 2.79 2.56 0.20 -0.24 118.70 128.05 3hw4 s GLU 119 Ca -0.08 -0.32 -0.09 0.00 0.00 0.00 0.00 54.97 54.47 3hw4 s GLU 119 Cb -0.13 -3.46 -0.05 0.00 2.00 0.00 0.00 34.13 32.49 3hw4 s GLU 119 CO 0.03 0.04 0.12 0.42 -0.56 0.00 0.00 175.26 175.31 3hw4 s ILE 120 N 1.10 5.31 0.02 -3.70 -1.09 -1.26 -1.27 121.20 120.30 3hw4 s ILE 120 Ca 0.06 0.15 0.07 0.00 -2.23 0.00 0.00 60.65 58.71 3hw4 s ILE 120 Cb -0.14 -3.41 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3hw4 s ILE 120 CO 0.04 0.45 -0.20 -0.83 -1.23 0.00 0.00 174.94 173.17 3hw4 s GLY 121 N 0.32 1.49 -0.14 6.18 0.00 -0.15 -4.95 107.32 110.07 3hw4 s GLY 121 Ca 0.07 -1.17 0.02 0.00 0.00 0.00 0.00 44.72 43.65 3hw4 s GLY 121 CO -0.01 -1.03 -0.21 0.14 0.00 0.00 0.00 173.10 171.98 3hw4 s VAL 122 N -0.83 1.96 0.07 1.40 1.01 -1.26 -0.16 120.40 122.59 3hw4 s VAL 122 Ca 0.13 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3hw4 s VAL 122 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3hw4 s VAL 122 CO 0.03 0.53 -0.19 0.28 0.00 0.00 0.00 175.10 175.75 3hw4 s THR 123 N 0.88 1.53 -2.37 3.92 -1.32 -0.03 -4.98 115.64 113.27 3hw4 s THR 123 Ca -0.06 -1.35 0.23 0.00 -1.21 0.00 0.00 61.69 59.30 3hw4 s THR 123 Cb -0.15 -1.38 0.48 0.00 -1.51 0.00 0.00 72.50 69.94 3hw4 s THR 123 CO -0.03 -0.01 1.44 -2.11 -2.21 0.00 0.00 174.62 171.71 3hw4 n ARG 124 N 1.42 2.56 -0.07 7.08 1.85 -1.26 -2.76 116.66 125.48 3hw4 n ARG 124 Ca -0.19 -2.38 0.00 0.00 -1.00 0.00 0.00 57.85 54.28 3hw4 n ARG 124 Cb 0.54 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 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 1.54 3.02 -2.81 2.89 1.74 -1.26 -4.92 116.66 116.85 3hw4 n ARG 125 Ca 0.21 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.90 3hw4 n ARG 125 Cb 0.61 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.99 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 2.42 4.72 0.21 5.56 0.41 -1.26 -4.90 118.70 125.87 3hw4 s GLU 126 Ca 0.00 1.37 -0.08 0.00 -0.41 0.00 0.00 54.97 55.85 3hw4 s GLU 126 Cb 0.00 -3.15 0.15 0.00 -1.78 0.00 0.00 34.13 29.35 3hw4 s GLU 126 CO 0.00 0.47 1.78 -0.39 -0.49 0.00 0.00 175.26 176.63 3hw4 h VAL 127 N 3.04 1.26 -0.65 2.63 -1.51 -1.94 -2.57 116.25 116.51 3hw4 h VAL 127 Ca -0.46 -0.78 -0.03 0.00 -1.23 0.00 0.00 66.70 64.20 3hw4 h VAL 127 Cb 1.20 0.31 -0.03 0.00 -2.13 0.00 0.00 31.29 30.64 3hw4 h VAL 127 CO 0.67 0.32 0.27 -0.74 -1.23 0.00 0.00 177.57 176.86 3hw4 h HIS 128 N 1.12 0.95 -0.33 5.19 6.17 -1.93 -0.09 115.15 126.22 3hw4 h HIS 128 Ca 0.26 -0.05 0.02 0.00 0.71 0.00 0.00 60.37 61.31 3hw4 h HIS 128 Cb 0.19 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 29.80 3hw4 h HIS 128 CO 0.02 0.72 0.18 1.15 0.71 0.00 0.00 177.93 180.71 3hw4 h THR 129 N 0.93 1.01 -0.26 6.26 2.02 -1.86 -0.63 112.91 120.38 3hw4 h THR 129 Ca 0.22 -0.13 -0.14 0.00 0.77 0.00 0.00 66.41 67.13 3hw4 h THR 129 Cb 0.17 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 3hw4 h THR 129 CO -0.02 0.07 -0.42 0.22 0.37 0.00 0.00 175.52 175.74 3hw4 h TYR 130 N 0.37 0.77 -0.25 3.16 3.20 -1.33 -1.39 116.97 121.49 3hw4 h TYR 130 Ca 0.14 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.79 3hw4 h TYR 130 Cb 0.03 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 3hw4 h TYR 130 CO -0.09 0.95 0.12 -0.92 -1.64 0.00 0.00 178.16 176.59 3hw4 h TYR 131 N 0.52 0.22 -0.46 -3.82 3.20 -0.86 -1.60 116.97 114.18 3hw4 h TYR 131 Ca 0.04 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 3hw4 h TYR 131 Cb 0.95 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3hw4 h TYR 131 CO 0.04 0.12 0.03 -0.07 -1.64 0.00 0.00 178.16 176.65 3hw4 h LEU 132 N 0.26 0.76 -0.48 2.82 3.38 -0.89 0.08 115.31 121.23 3hw4 h LEU 132 Ca 0.11 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hw4 h LEU 132 Cb 0.04 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.48 3hw4 h LEU 132 CO -0.08 0.86 -0.30 -0.33 0.09 0.00 0.00 178.44 178.68 3hw4 h GLU 133 N 0.64 -0.18 0.14 1.13 5.08 -1.13 0.16 114.58 120.42 3hw4 h GLU 133 Ca 0.13 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3hw4 h GLU 133 Cb 0.45 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hw4 h GLU 133 CO 0.02 -0.12 -0.07 0.87 -1.00 0.00 0.00 179.01 178.71 3hw4 h LYS 134 N -0.19 -0.19 -0.28 2.33 1.79 -1.04 -1.28 116.57 117.71 3hw4 h LYS 134 Ca 0.21 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.73 3hw4 h LYS 134 Cb 0.53 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 3hw4 h LYS 134 CO -0.59 -0.12 0.19 0.00 -1.08 0.00 0.00 179.45 177.85 3hw4 h ALA 135 N 0.67 1.99 0.37 3.86 0.00 -0.66 0.30 119.26 125.78 3hw4 h ALA 135 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hw4 h ALA 135 Cb 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hw4 h ALA 135 CO 0.03 -0.04 -0.18 -0.97 0.00 0.00 0.00 179.25 178.09 3hw4 h ASN 136 N 0.22 -0.42 0.02 0.00 -0.73 -0.39 -3.22 115.58 111.06 3hw4 h ASN 136 Ca 0.12 -0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.22 3hw4 h ASN 136 Cb 0.21 0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.91 3hw4 h ASN 136 CO -0.02 -0.18 -0.01 0.50 -0.37 0.00 0.00 177.43 177.35 3hw4 h LYS 137 N -0.64 -0.03 0.00 6.67 3.64 -0.58 -3.03 116.57 122.61 3hw4 h LYS 137 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hw4 h LYS 137 Cb 0.46 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3hw4 h LYS 137 CO 0.08 -0.02 0.15 0.44 -2.27 0.00 0.00 179.45 177.84 3hw4 n ILE 138 N -2.18 1.31 -4.17 2.00 -5.35 0.03 -4.66 119.36 106.34 3hw4 n ILE 138 Ca -0.00 0.55 -0.30 0.00 -0.27 0.00 0.00 62.75 62.72 3hw4 n ILE 138 Cb 0.01 -1.55 -0.08 0.00 -1.74 0.00 0.00 39.64 36.28 3hw4 n ILE 138 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3hw4 n LYS 139 N -1.51 -0.87 -0.37 6.28 4.01 -1.15 -4.86 118.16 119.69 3hw4 n LYS 139 Ca -0.00 0.08 -0.09 0.00 -0.51 0.00 0.00 58.31 57.79 3hw4 n LYS 139 Cb 0.16 -3.20 0.08 0.00 -0.51 0.00 0.00 35.03 31.56 3hw4 n LYS 139 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 3hw4 n SER 140 N -2.58 -2.27 0.02 4.39 3.41 -1.24 -4.98 113.62 110.37 3hw4 n SER 140 Ca -0.28 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.08 3hw4 n SER 140 Cb 0.64 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3hw4 n SER 140 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3hw4 n GLU 141 N -0.66 0.00 0.00 4.33 0.28 -1.26 -4.89 120.64 118.45 3hw4 n GLU 141 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 3hw4 n GLU 141 Cb 0.17 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.04 3hw4 n GLU 141 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3hw4 n LYS 142 N -2.26 2.04 -3.01 3.44 5.02 -1.26 -4.85 118.16 117.28 3hw4 n LYS 142 Ca 0.00 -1.22 -0.43 0.00 -2.02 0.00 0.00 58.31 54.63 3hw4 n LYS 142 Cb 0.00 -0.95 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 3hw4 n LYS 142 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3hw4 s THR 143 N -0.73 4.66 0.39 -0.18 2.01 -1.26 -4.05 115.64 116.48 3hw4 s THR 143 Ca 0.00 -0.03 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 3hw4 s THR 143 Cb 0.00 -4.38 -0.09 0.00 0.01 0.00 0.00 72.50 68.04 3hw4 s THR 143 CO 0.00 -0.89 1.18 -2.28 -0.69 0.00 0.00 174.62 171.94 3hw4 s HIS 144 N 3.22 3.07 -0.00 4.92 2.46 -0.43 -4.77 115.29 123.76 3hw4 s HIS 144 Ca 0.23 1.55 0.08 0.00 0.47 0.00 0.00 55.06 57.39 3hw4 s HIS 144 Cb -0.15 -3.41 -0.02 0.00 -0.13 0.00 0.00 32.58 28.86 3hw4 s HIS 144 CO 0.17 -1.35 -0.25 0.42 -2.47 0.00 0.00 174.74 171.25 3hw4 s ILE 145 N -1.39 2.02 -0.06 0.89 1.01 -1.26 -0.63 121.20 121.78 3hw4 s ILE 145 Ca 0.56 -1.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 3hw4 s ILE 145 Cb -0.31 -1.69 0.04 0.00 0.01 0.00 0.00 42.46 40.50 3hw4 s ILE 145 CO 0.40 0.50 0.10 -2.28 0.00 0.00 0.00 174.94 173.66 3hw4 s HIS 146 N -0.65 -0.04 -0.07 3.97 2.46 -0.40 -1.04 115.29 119.51 3hw4 s HIS 146 Ca 0.10 0.40 0.03 0.00 0.47 0.00 0.00 55.06 56.07 3hw4 s HIS 146 Cb -0.10 -0.38 -0.02 0.00 -0.13 0.00 0.00 32.58 31.95 3hw4 s HIS 146 CO -0.00 -0.22 -0.17 0.42 -2.47 0.00 0.00 174.74 172.29 3hw4 s ILE 147 N 2.20 2.73 0.06 0.89 -1.09 0.69 -0.98 121.20 125.69 3hw4 s ILE 147 Ca 0.04 -0.82 0.09 0.00 -2.23 0.00 0.00 60.65 57.73 3hw4 s ILE 147 Cb -0.12 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 3hw4 s ILE 147 CO -0.04 0.57 -0.25 -0.36 -1.23 0.00 0.00 174.94 173.63 3hw4 s PHE 148 N -0.25 2.37 0.42 3.97 0.40 0.78 -0.58 117.98 125.09 3hw4 s PHE 148 Ca 0.00 -0.37 0.08 0.00 -0.60 0.00 0.00 56.93 56.04 3hw4 s PHE 148 Cb -0.13 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 3hw4 s PHE 148 CO 0.03 0.19 0.39 -1.54 0.70 0.00 0.00 175.22 174.99 3hw4 s SER 149 N -1.43 5.07 0.14 1.36 1.04 -0.07 -0.85 113.70 118.96 3hw4 s SER 149 Ca 0.13 -0.74 0.27 0.00 0.48 0.00 0.00 55.95 56.09 3hw4 s SER 149 Cb -0.10 -0.54 0.94 0.00 0.10 0.00 0.00 66.02 66.42 3hw4 s SER 149 CO 0.03 -0.68 1.82 0.49 0.98 0.00 0.00 173.24 175.89 3hw4 n PHE 150 N -1.58 0.63 1.98 5.02 3.01 -1.11 -2.94 117.46 122.47 3hw4 n PHE 150 Ca 0.04 0.18 0.16 0.00 1.01 0.00 0.00 57.45 58.84 3hw4 n PHE 150 Cb 0.62 -0.80 0.94 0.00 -0.01 0.00 0.00 39.48 40.23 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 -2.02 0.00 -0.46 4.37 -2.24 -1.26 -3.77 114.28 108.90 3hw4 n THR 151 Ca 0.06 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3hw4 n THR 151 Cb 0.40 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 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 1.01 0.74 3.92 3.38 0.00 -1.15 -5.01 105.19 108.07 3hw4 n GLY 152 Ca 0.24 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 3hw4 n GLY 152 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hw4 s GLU 153 N -0.54 3.30 0.11 1.61 -1.05 -1.26 -4.89 118.70 115.98 3hw4 s GLU 153 Ca 0.00 0.05 -0.07 0.00 -0.15 0.00 0.00 54.97 54.80 3hw4 s GLU 153 Cb 0.00 -2.37 -0.01 0.00 -0.44 0.00 0.00 34.13 31.31 3hw4 s GLU 153 CO 0.00 -0.35 0.18 -1.83 0.95 0.00 0.00 175.26 174.20 3hw4 s GLU 154 N -4.79 0.92 -0.16 -4.83 -1.05 -1.26 -0.90 118.70 106.64 3hw4 s GLU 154 Ca 0.49 -1.11 -0.13 0.00 -0.15 0.00 0.00 54.97 54.08 3hw4 s GLU 154 Cb -0.10 0.33 0.04 0.00 -0.44 0.00 0.00 34.13 33.96 3hw4 s GLU 154 CO 0.44 -0.29 0.40 1.41 0.95 0.00 0.00 175.26 178.17 3hw4 s MET 155 N -3.92 0.45 0.07 -4.83 1.75 0.25 -4.98 119.30 108.09 3hw4 s MET 155 Ca 0.11 0.62 0.06 0.00 -1.25 0.00 0.00 55.69 55.24 3hw4 s MET 155 Cb 0.05 0.15 -0.03 0.00 2.84 0.00 0.00 34.83 37.85 3hw4 s MET 155 CO -0.06 -0.09 -0.17 0.00 -0.65 0.00 0.00 175.02 174.05 3hw4 s ALA 156 N 0.56 1.44 -0.08 4.11 0.00 -1.26 -0.22 121.76 126.29 3hw4 s ALA 156 Ca -0.03 -1.06 -0.40 0.00 0.00 0.00 0.00 51.96 50.47 3hw4 s ALA 156 Cb -0.04 -0.18 -0.19 0.00 0.00 0.00 0.00 23.12 22.71 3hw4 s ALA 156 CO -0.03 0.26 1.29 2.41 0.00 0.00 0.00 175.76 179.69 3hw4 n THR 157 N 1.36 0.03 -1.96 0.00 -1.04 -0.21 -1.02 114.28 111.44 3hw4 n THR 157 Ca -0.20 -0.01 -0.17 0.00 -2.04 0.00 0.00 64.05 61.64 3hw4 n THR 157 Cb 0.54 -0.42 -0.04 0.00 -1.82 0.00 0.00 70.33 68.59 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 2.55 -1.67 -2.91 -2.82 5.02 -1.26 -0.94 118.16 116.14 3hw4 n LYS 158 Ca 0.22 0.89 -0.17 0.00 -2.02 0.00 0.00 58.31 57.23 3hw4 n LYS 158 Cb 0.09 -5.36 -0.00 0.00 -0.02 0.00 0.00 35.03 29.74 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 -0.65 -0.94 -3.07 7.82 0.00 -0.19 -4.92 120.51 118.57 3hw4 n ALA 159 Ca -0.18 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3hw4 n ALA 159 Cb 0.60 -2.11 -0.09 0.00 0.00 0.00 0.00 19.45 17.86 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 -2.38 5.93 0.00 0.00 -1.08 -0.11 -4.97 116.67 114.05 3hw4 s ASP 160 Ca 0.20 -1.42 0.29 0.00 -0.52 0.00 0.00 52.55 51.09 3hw4 s ASP 160 Cb -0.11 -2.10 1.16 0.00 -1.46 0.00 0.00 42.92 40.42 3hw4 s ASP 160 CO 0.25 -0.61 1.85 -1.22 0.52 0.00 0.00 175.17 175.96 3hw4 n TYR 161 N 5.08 0.00 0.00 -5.34 4.02 -1.26 -4.54 117.16 115.12 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 0.43 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.39 0.00 -3.31 -0.72 -1.04 -1.26 -4.80 114.28 101.76 3hw4 n THR 162 Ca 0.09 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.85 3hw4 n THR 162 Cb 0.31 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.81 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 4.00 0.80 -4.42 1.43 -1.26 -5.09 118.68 114.14 3hw4 s LEU 163 Ca 0.00 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 53.53 3hw4 s LEU 163 Cb 0.00 -3.41 0.08 0.00 0.03 0.00 0.00 46.19 42.89 3hw4 s LEU 163 CO 0.00 -0.29 1.16 1.51 0.23 0.00 0.00 176.35 178.96 3hw4 s ASP 164 N -3.80 4.55 0.37 2.29 3.84 -1.26 -4.83 116.67 117.83 3hw4 s ASP 164 Ca 0.41 0.88 0.12 0.00 -0.00 0.00 0.00 52.55 53.97 3hw4 s ASP 164 Cb -0.10 -1.44 0.71 0.00 -1.38 0.00 0.00 42.92 40.70 3hw4 s ASP 164 CO 0.35 -1.89 1.82 -0.33 -0.00 0.00 0.00 175.17 175.12 3hw4 h GLU 165 N -1.04 0.03 -0.66 2.11 4.39 -1.98 -1.75 114.58 115.66 3hw4 h GLU 165 Ca -0.46 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 3hw4 h GLU 165 Cb 1.31 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 3hw4 h GLU 165 CO 0.65 0.39 0.13 1.49 -1.16 0.00 0.00 179.01 180.50 3hw4 h GLU 166 N 0.03 1.09 -0.19 2.33 4.81 -1.99 -0.03 114.58 120.62 3hw4 h GLU 166 Ca 0.00 -0.28 -0.19 0.00 -0.13 0.00 0.00 59.36 58.75 3hw4 h GLU 166 Cb 0.65 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.91 3hw4 h GLU 166 CO 0.05 0.99 -0.64 0.77 -0.73 0.00 0.00 179.01 179.44 3hw4 h SER 167 N 1.01 0.89 -0.57 1.04 0.02 -1.77 -2.77 113.55 111.40 3hw4 h SER 167 Ca 0.20 -0.60 -0.06 0.00 -0.84 0.00 0.00 61.79 60.49 3hw4 h SER 167 Cb 0.41 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 3hw4 h SER 167 CO 0.01 1.34 0.12 0.03 -1.14 0.00 0.00 176.83 177.19 3hw4 h ARG 168 N 0.49 0.96 -0.91 3.45 3.08 -1.34 -2.72 114.38 117.40 3hw4 h ARG 168 Ca -0.03 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 59.87 3hw4 h ARG 168 Cb 1.27 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 31.12 3hw4 h ARG 168 CO 0.14 0.87 0.57 0.00 -1.07 0.00 0.00 179.97 180.48 3hw4 h ALA 169 N 1.21 1.27 -0.70 0.04 0.00 -0.91 -0.36 119.26 119.81 3hw4 h ALA 169 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hw4 h ALA 169 Cb 0.37 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hw4 h ALA 169 CO 0.00 0.30 0.41 0.00 0.00 0.00 0.00 179.25 179.97 3hw4 h ARG 170 N 1.01 0.97 -0.06 0.00 3.08 -1.30 -1.06 114.38 117.02 3hw4 h ARG 170 Ca 0.40 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3hw4 h ARG 170 Cb 0.22 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hw4 h ARG 170 CO -0.19 0.70 0.02 0.82 -1.07 0.00 0.00 179.97 180.25 3hw4 h ILE 171 N 0.96 1.17 -0.29 2.04 2.04 -1.14 -1.87 117.51 120.42 3hw4 h ILE 171 Ca 0.25 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3hw4 h ILE 171 Cb -0.00 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3hw4 h ILE 171 CO -0.04 0.14 0.07 0.11 0.00 0.00 0.00 178.15 178.42 3hw4 h LYS 172 N -0.09 0.42 0.05 2.37 1.57 -0.93 -1.71 116.57 118.25 3hw4 h LYS 172 Ca 0.02 -0.06 -0.27 0.00 -1.87 0.00 0.00 60.65 58.47 3hw4 h LYS 172 Cb 0.20 -0.08 0.02 0.00 0.08 0.00 0.00 32.23 32.46 3hw4 h LYS 172 CO -0.00 0.39 -1.07 1.15 -0.57 0.00 0.00 179.45 179.35 3hw4 h THR 173 N 0.41 1.30 -0.44 -0.16 2.02 -1.14 -1.12 112.91 113.78 3hw4 h THR 173 Ca 0.10 -2.31 0.05 0.00 0.77 0.00 0.00 66.41 65.02 3hw4 h THR 173 Cb 0.17 2.54 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 3hw4 h THR 173 CO -0.00 0.71 0.17 -0.09 0.37 0.00 0.00 175.52 176.67 3hw4 h ARG 174 N 0.28 0.34 -0.35 6.66 9.65 -1.15 -1.87 114.38 127.95 3hw4 h ARG 174 Ca -0.15 -0.02 -0.11 0.00 -1.10 0.00 0.00 59.98 58.60 3hw4 h ARG 174 Cb 1.74 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 30.24 3hw4 h ARG 174 CO 0.21 0.23 -0.20 -0.07 2.80 0.00 0.00 179.97 182.93 3hw4 h LEU 175 N 0.35 0.79 -0.79 3.80 3.38 -1.24 -1.28 115.31 120.33 3hw4 h LEU 175 Ca 0.20 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.85 3hw4 h LEU 175 Cb 0.18 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 3hw4 h LEU 175 CO -0.19 1.04 0.43 0.15 0.09 0.00 0.00 178.44 179.95 3hw4 h PHE 176 N 0.55 0.77 -0.47 1.13 3.57 -1.12 -1.07 116.94 120.29 3hw4 h PHE 176 Ca 0.07 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 3hw4 h PHE 176 Cb 0.76 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3hw4 h PHE 176 CO 0.06 0.29 -0.13 1.15 -2.23 0.00 0.00 178.31 177.45 3hw4 h THR 177 N 0.70 1.26 -0.48 4.41 2.02 -0.99 0.61 112.91 120.45 3hw4 h THR 177 Ca 0.39 -1.24 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 3hw4 h THR 177 Cb 0.40 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3hw4 h THR 177 CO -0.27 0.43 0.21 0.40 0.37 0.00 0.00 175.52 176.66 3hw4 h ILE 178 N 0.78 1.20 -0.27 3.11 2.04 -0.71 -0.56 117.51 123.09 3hw4 h ILE 178 Ca 0.12 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.41 3hw4 h ILE 178 Cb 0.65 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 3hw4 h ILE 178 CO 0.05 0.22 0.16 -0.09 0.00 0.00 0.00 178.15 178.49 3hw4 h ARG 179 N 0.63 0.31 -0.42 2.37 2.43 -0.94 -2.10 114.38 116.66 3hw4 h ARG 179 Ca 0.16 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3hw4 h ARG 179 Cb 0.15 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 3hw4 h ARG 179 CO -0.02 0.21 0.02 0.37 -1.51 0.00 0.00 179.97 179.04 3hw4 h GLN 180 N 0.32 0.12 -0.26 0.20 4.15 -0.41 -0.65 115.11 118.59 3hw4 h GLN 180 Ca 0.11 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.37 3hw4 h GLN 180 Cb -0.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 3hw4 h GLN 180 CO -0.05 0.08 -0.46 0.93 -1.93 0.00 0.00 178.83 177.40 3hw4 h GLU 181 N 0.13 0.67 0.21 1.69 5.08 -0.91 -2.17 114.58 119.27 3hw4 h GLU 181 Ca 0.21 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3hw4 h GLU 181 Cb 0.29 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3hw4 h GLU 181 CO -0.33 0.99 -0.17 0.52 -1.00 0.00 0.00 179.01 179.01 3hw4 h MET 182 N 0.53 -0.38 -0.35 2.33 2.86 -1.19 -2.98 114.93 115.75 3hw4 h MET 182 Ca 0.03 0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 3hw4 h MET 182 Cb 1.00 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.73 3hw4 h MET 182 CO 0.09 -0.25 -0.04 0.00 1.06 0.00 0.00 176.91 177.77 3hw4 h ALA 183 N 0.36 1.27 0.00 6.32 0.00 -1.00 0.14 119.26 126.35 3hw4 h ALA 183 Ca -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 3hw4 h ALA 183 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hw4 h ALA 183 CO -0.02 0.49 -0.29 0.66 0.00 0.00 0.00 179.25 180.09 3hw4 h SER 184 N 0.54 0.00 -0.33 0.00 4.64 -1.44 -2.26 113.55 114.70 3hw4 h SER 184 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3hw4 h SER 184 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3hw4 h SER 184 CO 0.02 0.29 0.00 0.54 -0.87 0.00 0.00 176.83 176.80 3hw4 n ARG 185 N -3.86 2.26 -0.98 4.77 1.74 -0.75 -4.95 116.66 114.90 3hw4 n ARG 185 Ca -0.02 -1.91 0.00 0.00 -0.77 0.00 0.00 57.85 55.16 3hw4 n ARG 185 Cb 0.37 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 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 1.39 0.47 0.13 -0.13 0.00 -0.64 -4.70 105.19 101.70 3hw4 n GLY 186 Ca 0.18 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.92 3hw4 n GLY 186 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hw4 h LEU 187 N 0.00 0.00 -0.15 0.99 4.07 -0.97 -3.41 115.31 115.84 3hw4 h LEU 187 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3hw4 h LEU 187 Cb 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 3hw4 h LEU 187 CO 0.00 0.11 -0.19 -0.25 -1.08 0.00 0.00 178.44 177.04 3hw4 h TRP 188 N 0.00 0.47 -0.83 1.13 2.91 -1.83 -2.97 115.95 114.82 3hw4 h TRP 188 Ca -0.03 -0.15 0.04 0.00 1.13 0.00 0.00 58.89 59.88 3hw4 h TRP 188 Cb 1.11 -0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 29.61 3hw4 h TRP 188 CO 0.00 0.80 0.53 -0.44 -1.03 0.00 0.00 178.44 178.30 3hw4 h ASP 189 N 0.01 0.86 0.90 2.65 3.32 -1.92 0.42 116.42 122.66 3hw4 h ASP 189 Ca 0.02 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.85 3hw4 h ASP 189 Cb 0.74 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3hw4 h ASP 189 CO 0.04 0.58 -1.04 -1.28 -1.72 0.00 0.00 179.24 175.82 3hw4 h SER 190 N 1.01 0.10 0.07 6.45 0.87 -1.86 -1.66 113.55 118.54 3hw4 h SER 190 Ca 0.34 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3hw4 h SER 190 Cb 0.06 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3hw4 h SER 190 CO -0.13 1.07 -0.12 0.15 -0.53 0.00 0.00 176.83 177.27 3hw4 h PHE 191 N 0.02 -0.32 -0.04 2.24 3.57 -1.22 -0.28 116.94 120.91 3hw4 h PHE 191 Ca -0.04 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.49 3hw4 h PHE 191 Cb 1.80 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 40.62 3hw4 h PHE 191 CO 0.02 -0.19 -0.42 -0.09 -2.23 0.00 0.00 178.31 175.39 3hw4 h ARG 192 N -0.25 -0.48 -0.96 1.11 2.43 -0.94 -2.80 114.38 112.49 3hw4 h ARG 192 Ca 0.02 0.03 0.26 0.00 -0.81 0.00 0.00 59.98 59.48 3hw4 h ARG 192 Cb 0.26 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 3hw4 h ARG 192 CO -0.07 -0.32 0.66 1.96 -1.51 0.00 0.00 179.97 180.69 3hw4 h GLN 193 N -0.50 0.19 0.00 0.20 4.20 -1.12 -2.62 115.11 115.45 3hw4 h GLN 193 Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3hw4 h GLN 193 Cb 0.55 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3hw4 h GLN 193 CO -0.30 0.12 0.00 0.66 -0.67 0.00 0.00 178.83 178.64 3hw4 h SER 194 N 0.19 0.00 -0.83 1.46 4.64 -0.76 -3.35 113.55 114.90 3hw4 h SER 194 Ca 0.49 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 62.05 3hw4 h SER 194 Cb 1.59 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.64 3hw4 h SER 194 CO -0.11 0.00 0.64 -0.08 -0.87 0.00 0.00 176.83 176.41 3hw4 h GLU 195 N 0.00 0.00 0.00 4.77 4.81 -1.50 -3.43 114.58 119.23 3hw4 h GLU 195 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hw4 h GLU 195 Cb 0.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3hw4 h GLU 195 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.15 3hw4 n ARG 196 N -4.12 0.00 0.00 1.92 0.63 -1.26 -5.13 116.66 108.70 3hw4 n ARG 196 Ca 0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.10 3hw4 n ARG 196 Cb 0.94 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.85 3hw4 n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53