#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwl s ASN 2 N 0.00 0.30 0.33 6.12 2.20 -1.26 -5.02 114.94 117.61 3hwl s ASN 2 Ca 0.00 -1.23 0.02 0.00 -0.94 0.00 0.00 52.86 50.71 3hwl s ASN 2 Cb 0.00 0.78 0.58 0.00 -2.00 0.00 0.00 41.25 40.61 3hwl s ASN 2 CO 0.00 -1.53 1.96 -0.29 -2.94 0.00 0.00 177.10 174.30 3hwl h ILE 3 N 2.04 1.12 -0.26 0.54 6.09 -1.96 0.53 117.51 125.61 3hwl h ILE 3 Ca -0.30 -0.32 -0.05 0.00 -1.37 0.00 0.00 64.86 62.82 3hwl h ILE 3 Cb 1.25 0.09 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 3hwl h ILE 3 CO 0.39 0.17 -0.02 -0.26 -3.07 0.00 0.00 178.15 175.36 3hwl h PHE 4 N 0.95 0.52 -0.32 2.19 0.04 -1.99 -1.73 116.94 116.60 3hwl h PHE 4 Ca 0.31 -0.10 -0.10 0.00 2.80 0.00 0.00 57.97 60.88 3hwl h PHE 4 Cb 0.06 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3hwl h PHE 4 CO -0.00 0.65 -0.22 0.93 -0.60 0.00 0.00 178.31 179.06 3hwl h GLU 5 N 0.24 0.61 0.25 1.51 5.08 -1.79 -1.03 114.58 119.45 3hwl h GLU 5 Ca 0.07 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3hwl h GLU 5 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hwl h GLU 5 CO 0.02 0.79 -0.12 1.98 -1.00 0.00 0.00 179.01 180.67 3hwl h MET 6 N 0.54 -0.32 -0.15 2.33 4.05 -0.88 -1.98 114.93 118.52 3hwl h MET 6 Ca 0.08 0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.43 3hwl h MET 6 Cb 0.68 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 3hwl h MET 6 CO 0.05 -0.12 -0.33 -0.07 0.23 0.00 0.00 176.91 176.67 3hwl h LEU 7 N -0.46 0.30 -0.99 3.39 3.38 -1.25 -1.56 115.31 118.13 3hwl h LEU 7 Ca -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3hwl h LEU 7 Cb 0.34 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3hwl h LEU 7 CO 0.06 0.62 0.41 -0.09 0.09 0.00 0.00 178.44 179.53 3hwl h ARG 8 N 0.26 1.13 -0.08 1.13 9.65 -1.10 0.45 114.38 125.83 3hwl h ARG 8 Ca 0.03 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 3hwl h ARG 8 Cb 0.71 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3hwl h ARG 8 CO 0.05 0.85 0.02 0.82 2.80 0.00 0.00 179.97 184.51 3hwl h ILE 9 N 1.13 1.19 0.00 1.20 2.04 -0.94 -1.45 117.51 120.67 3hwl h ILE 9 Ca 0.28 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 3hwl h ILE 9 Cb 0.06 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3hwl h ILE 9 CO -0.04 0.16 -0.53 0.44 0.00 0.00 0.00 178.15 178.18 3hwl h ASP 10 N -0.08 0.00 0.00 1.72 3.32 -0.81 -3.31 116.42 117.26 3hwl h ASP 10 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3hwl h ASP 10 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3hwl h ASP 10 CO 0.00 0.53 -1.83 -0.62 -1.72 0.00 0.00 179.24 175.60 3hwl n GLU 11 N -3.88 0.58 -0.35 3.56 -0.58 0.15 -5.08 120.64 115.04 3hwl n GLU 11 Ca -0.01 -0.17 0.05 0.00 -0.42 0.00 0.00 57.16 56.61 3hwl n GLU 11 Cb 0.54 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 29.96 3hwl n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hwl n GLY 12 N 1.44 -2.03 2.70 0.62 0.00 -0.55 -4.22 105.19 103.15 3hwl n GLY 12 Ca -0.03 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 3hwl n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwl s LEU 13 N 0.00 0.36 -0.03 0.99 2.96 -1.26 -4.23 118.68 117.48 3hwl s LEU 13 Ca 0.00 -0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3hwl s LEU 13 Cb 0.00 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.43 3hwl s LEU 13 CO 0.00 -0.24 -0.05 -0.13 -1.32 0.00 0.00 176.35 174.61 3hwl s ARG 14 N 2.08 0.65 0.00 1.98 0.52 -0.65 -5.00 118.95 118.54 3hwl s ARG 14 Ca 0.05 -0.13 0.25 0.00 -0.52 0.00 0.00 55.73 55.37 3hwl s ARG 14 Cb -0.13 -0.67 0.44 0.00 0.52 0.00 0.00 34.95 35.11 3hwl s ARG 14 CO -0.04 -0.00 1.39 1.28 0.02 0.00 0.00 175.30 177.95 3hwl n LEU 15 N 3.62 2.35 -4.41 2.53 4.77 -1.26 0.02 117.00 124.62 3hwl n LEU 15 Ca -0.21 -0.79 -0.27 0.00 -0.03 0.00 0.00 56.01 54.71 3hwl n LEU 15 Cb 0.53 -0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.49 3hwl n LEU 15 CO 0.24 0.40 -0.54 -0.54 -1.33 0.00 0.00 177.39 175.62 3hwl s LYS 16 N -2.09 1.48 0.23 3.23 1.02 -1.26 -1.25 119.74 121.10 3hwl s LYS 16 Ca 0.29 -1.47 -0.32 0.00 0.02 0.00 0.00 55.97 54.50 3hwl s LYS 16 Cb 0.20 -1.85 -0.13 0.00 -0.52 0.00 0.00 37.83 35.53 3hwl s LYS 16 CO 0.36 0.41 1.55 -0.89 -0.92 0.00 0.00 175.35 175.86 3hwl n ILE 17 N 0.45 0.62 -4.17 2.17 5.41 -0.85 -4.69 119.36 118.30 3hwl n ILE 17 Ca -0.14 -0.15 -0.12 0.00 1.00 0.00 0.00 62.75 63.34 3hwl n ILE 17 Cb 0.55 -1.72 -0.09 0.00 -0.71 0.00 0.00 39.64 37.67 3hwl n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 3hwl s TYR 18 N 0.36 1.07 -0.14 1.39 1.13 0.02 -4.95 117.35 116.23 3hwl s TYR 18 Ca 0.70 -1.30 -0.12 0.00 -1.41 0.00 0.00 57.07 54.94 3hwl s TYR 18 Cb -0.58 -0.46 -0.05 0.00 -1.10 0.00 0.00 41.96 39.77 3hwl s TYR 18 CO 0.44 -0.70 0.25 0.15 -2.51 0.00 0.00 175.55 173.18 3hwl s LYS 19 N -4.11 4.07 0.02 -3.49 1.02 -1.26 -0.41 119.74 115.58 3hwl s LYS 19 Ca 0.37 0.03 -0.00 0.00 0.02 0.00 0.00 55.97 56.38 3hwl s LYS 19 Cb 0.06 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3hwl s LYS 19 CO 0.12 0.39 0.03 -0.40 -0.92 0.00 0.00 175.35 174.57 3hwl n ASP 20 N 3.10 -0.15 0.27 2.83 5.68 0.02 -4.80 116.55 123.49 3hwl n ASP 20 Ca -0.14 -0.94 0.14 0.00 -0.50 0.00 0.00 54.79 53.36 3hwl n ASP 20 Cb 0.52 -0.02 0.78 0.00 -1.14 0.00 0.00 41.12 41.26 3hwl n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3hwl h THR 21 N -1.09 0.43 -0.11 2.12 1.35 -1.99 -0.91 112.91 112.71 3hwl h THR 21 Ca -0.01 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3hwl h THR 21 Cb 0.02 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3hwl h THR 21 CO 0.01 0.09 0.00 -0.62 -0.25 0.00 0.00 175.52 174.75 3hwl n GLU 22 N -3.51 1.96 -0.69 4.72 -0.58 -1.26 -4.94 120.64 116.35 3hwl n GLU 22 Ca -0.02 -1.41 0.00 0.00 -0.42 0.00 0.00 57.16 55.31 3hwl n GLU 22 Cb 0.23 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 3hwl n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hwl n GLY 23 N 1.25 0.62 3.88 0.62 0.00 -0.35 -5.06 105.19 106.15 3hwl n GLY 23 Ca 0.17 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.48 3hwl n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hwl s TYR 24 N -2.00 3.57 0.21 1.61 2.02 -1.26 -4.73 117.35 116.77 3hwl s TYR 24 Ca 0.00 0.48 -0.32 0.00 -0.37 0.00 0.00 57.07 56.86 3hwl s TYR 24 Cb 0.00 -1.91 -0.12 0.00 -0.40 0.00 0.00 41.96 39.54 3hwl s TYR 24 CO 0.00 0.71 1.69 0.71 -1.57 0.00 0.00 175.55 177.09 3hwl s TYR 25 N -1.09 2.92 0.08 2.71 2.02 -1.23 -0.80 117.35 121.97 3hwl s TYR 25 Ca 0.17 0.42 -0.10 0.00 -0.37 0.00 0.00 57.07 57.20 3hwl s TYR 25 Cb -0.12 -4.10 0.01 0.00 -0.40 0.00 0.00 41.96 37.35 3hwl s TYR 25 CO 0.07 -4.11 0.23 0.99 -1.57 0.00 0.00 175.55 171.16 3hwl s THR 26 N 1.08 0.12 0.14 -0.71 2.01 0.45 -0.70 115.64 118.04 3hwl s THR 26 Ca 0.73 -1.00 -0.12 0.00 0.31 0.00 0.00 61.69 61.61 3hwl s THR 26 Cb -0.49 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 70.82 3hwl s THR 26 CO 0.33 -0.55 0.33 -0.51 -0.69 0.00 0.00 174.62 173.53 3hwl s ILE 27 N -3.53 0.08 0.00 1.82 2.07 -0.49 -0.80 121.20 120.35 3hwl s ILE 27 Ca 0.02 -1.07 0.00 0.00 -1.41 0.00 0.00 60.65 58.19 3hwl s ILE 27 Cb 0.03 -1.54 0.00 0.00 0.13 0.00 0.00 42.46 41.08 3hwl s ILE 27 CO -0.09 -0.35 0.00 0.61 -1.91 0.00 0.00 174.94 173.19 3hwl n GLY 28 N -0.20 1.09 3.11 1.50 0.00 0.10 -1.25 105.19 109.54 3hwl n GLY 28 Ca -0.11 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 3hwl n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hwl n ILE 29 N 0.00 4.30 -2.63 -0.61 5.41 -1.26 -1.63 119.36 122.95 3hwl n ILE 29 Ca 0.00 -5.49 -0.18 0.00 1.00 0.00 0.00 62.75 58.08 3hwl n ILE 29 Cb 0.00 -2.34 0.01 0.00 -0.71 0.00 0.00 39.64 36.60 3hwl n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hwl n GLY 30 N 2.01 -0.32 3.53 7.39 0.00 -1.25 -4.85 105.19 111.71 3hwl n GLY 30 Ca 0.25 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hwl n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hwl s HIS 31 N -2.97 2.66 0.03 1.61 5.04 -0.38 -4.93 115.29 116.34 3hwl s HIS 31 Ca 0.13 0.01 -0.30 0.00 -1.54 0.00 0.00 55.06 53.36 3hwl s HIS 31 Cb -0.06 -4.29 -0.06 0.00 0.04 0.00 0.00 32.58 28.20 3hwl s HIS 31 CO 0.17 -1.56 1.41 -1.17 -2.34 0.00 0.00 174.74 171.25 3hwl s LEU 32 N 4.47 4.33 -0.15 8.88 2.96 -1.26 -1.39 118.68 136.52 3hwl s LEU 32 Ca 0.33 2.19 -0.14 0.00 -0.22 0.00 0.00 54.13 56.28 3hwl s LEU 32 Cb -0.11 -3.57 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 3hwl s LEU 32 CO 0.19 -0.71 0.36 -0.07 -1.32 0.00 0.00 176.35 174.80 3hwl h LEU 33 N 7.99 0.26 -7.00 -0.68 3.38 -1.26 -3.49 115.31 114.51 3hwl h LEU 33 Ca -0.39 -0.77 0.17 0.00 0.09 0.00 0.00 57.88 56.97 3hwl h LEU 33 Cb 1.19 -0.08 -0.23 0.00 0.09 0.00 0.00 40.66 41.62 3hwl h LEU 33 CO 0.89 1.67 0.72 0.28 0.09 0.00 0.00 178.44 182.09 3hwl s THR 34 N -2.47 0.00 -2.20 0.22 -1.32 -1.21 -4.91 115.64 103.75 3hwl s THR 34 Ca -0.24 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.51 3hwl s THR 34 Cb 0.06 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.41 3hwl s THR 34 CO 0.70 0.00 1.58 0.29 -2.21 0.00 0.00 174.62 174.98 3hwl n LYS 35 N 0.44 1.34 -1.99 7.08 5.02 -1.26 -3.50 118.16 125.30 3hwl n LYS 35 Ca -0.05 -0.85 -0.41 0.00 -2.02 0.00 0.00 58.31 54.98 3hwl n LYS 35 Cb 0.59 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 3hwl n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hwl s SER 36 N -2.25 6.61 0.00 4.39 0.15 -1.26 -4.91 113.70 116.43 3hwl s SER 36 Ca 0.30 2.81 0.10 0.00 0.70 0.00 0.00 55.95 59.86 3hwl s SER 36 Cb 0.20 -2.65 0.49 0.00 -1.71 0.00 0.00 66.02 62.35 3hwl s SER 36 CO 0.43 -0.67 1.27 -2.65 1.20 0.00 0.00 173.24 172.81 3hwl n PRO 37 N 0.91 0.09 -3.26 5.44 -0.02 -1.26 -4.70 135.00 132.19 3hwl n PRO 37 Ca 0.01 0.24 -0.40 0.00 -2.02 0.00 0.00 63.50 61.34 3hwl n PRO 37 Cb 0.41 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.31 3hwl n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hwl s SER 38 N -2.75 6.39 0.33 2.55 0.15 -1.26 -4.95 113.70 114.15 3hwl s SER 38 Ca 0.08 0.39 0.03 0.00 0.70 0.00 0.00 55.95 57.15 3hwl s SER 38 Cb 0.07 -2.27 0.56 0.00 -1.71 0.00 0.00 66.02 62.67 3hwl s SER 38 CO 0.17 -0.31 1.89 0.25 1.20 0.00 0.00 173.24 176.45 3hwl h LEU 39 N 8.81 0.61 -0.88 3.45 5.85 -2.00 -2.09 115.31 129.07 3hwl h LEU 39 Ca -0.29 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 3hwl h LEU 39 Cb 1.14 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3hwl h LEU 39 CO 0.71 0.60 0.20 0.78 -0.34 0.00 0.00 178.44 180.40 3hwl h ASN 40 N 0.64 0.96 -0.81 1.25 2.35 -1.98 0.43 115.58 118.42 3hwl h ASN 40 Ca 0.15 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3hwl h ASN 40 Cb 0.24 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.32 3hwl h ASN 40 CO -0.00 0.90 0.42 0.00 -1.65 0.00 0.00 177.43 177.10 3hwl h ALA 41 N 1.23 1.03 -0.65 -0.83 0.00 -1.83 -0.91 119.26 117.30 3hwl h ALA 41 Ca 0.22 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3hwl h ALA 41 Cb 0.29 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3hwl h ALA 41 CO -0.01 0.57 0.16 0.00 0.00 0.00 0.00 179.25 179.97 3hwl h ALA 42 N 1.22 0.86 -0.63 0.00 0.00 -0.90 -1.29 119.26 118.52 3hwl h ALA 42 Ca 0.28 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3hwl h ALA 42 Cb 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3hwl h ALA 42 CO -0.04 0.57 0.10 0.87 0.00 0.00 0.00 179.25 180.75 3hwl h LYS 43 N 0.97 1.03 -0.57 0.00 1.57 -0.60 -0.83 116.57 118.14 3hwl h LYS 43 Ca 0.21 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3hwl h LYS 43 Cb 0.36 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3hwl h LYS 43 CO 0.00 0.95 -0.01 1.03 -0.57 0.00 0.00 179.45 180.85 3hwl h SER 44 N 0.97 1.00 -0.88 0.86 0.87 -0.96 -1.30 113.55 114.11 3hwl h SER 44 Ca 0.19 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 3hwl h SER 44 Cb 0.43 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 3hwl h SER 44 CO 0.01 1.07 0.49 -0.33 -0.53 0.00 0.00 176.83 177.54 3hwl h GLU 45 N 0.91 1.22 -0.15 2.24 4.39 -0.97 -1.90 114.58 120.31 3hwl h GLU 45 Ca 0.16 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 3hwl h GLU 45 Cb 0.56 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3hwl h GLU 45 CO 0.03 0.88 0.04 1.25 -1.16 0.00 0.00 179.01 180.06 3hwl h LEU 46 N 1.23 0.23 -0.97 1.33 5.85 -0.80 -0.60 115.31 121.57 3hwl h LEU 46 Ca 0.31 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3hwl h LEU 46 Cb 0.01 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 3hwl h LEU 46 CO -0.05 0.39 0.64 0.44 -0.34 0.00 0.00 178.44 179.51 3hwl h ASP 47 N 0.05 1.07 -0.61 1.25 3.32 -1.13 -0.70 116.42 119.67 3hwl h ASP 47 Ca 0.05 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 3hwl h ASP 47 Cb 0.25 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 3hwl h ASP 47 CO -0.00 0.74 0.08 0.50 -1.72 0.00 0.00 179.24 178.84 3hwl h LYS 48 N 1.24 1.05 -0.26 3.56 3.64 -1.17 0.14 116.57 124.78 3hwl h LYS 48 Ca 0.38 -0.28 -0.15 0.00 -1.27 0.00 0.00 60.65 59.33 3hwl h LYS 48 Cb -0.02 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3hwl h LYS 48 CO -0.12 0.98 -0.44 0.00 -2.27 0.00 0.00 179.45 177.59 3hwl h ALA 49 N 1.10 0.74 0.00 5.00 0.00 -0.29 -3.27 119.26 122.54 3hwl h ALA 49 Ca 0.19 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 3hwl h ALA 49 Cb 0.45 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3hwl h ALA 49 CO 0.02 0.66 -1.60 -0.89 0.00 0.00 0.00 179.25 177.45 3hwl n ILE 50 N -4.01 1.12 -0.74 0.00 2.08 -0.35 -5.00 119.36 112.46 3hwl n ILE 50 Ca -0.02 -0.70 0.00 0.00 0.56 0.00 0.00 62.75 62.59 3hwl n ILE 50 Cb 0.55 -0.65 0.00 0.00 -0.75 0.00 0.00 39.64 38.79 3hwl n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hwl n GLY 51 N 1.43 0.65 3.58 7.39 0.00 0.49 -5.05 105.19 113.67 3hwl n GLY 51 Ca -0.12 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 3hwl n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hwl s ARG 52 N -1.54 1.46 -0.61 1.61 1.70 -1.12 -5.05 118.95 115.41 3hwl s ARG 52 Ca 0.00 -0.88 -0.27 0.00 -0.47 0.00 0.00 55.73 54.11 3hwl s ARG 52 Cb 0.00 0.54 0.01 0.00 -0.57 0.00 0.00 34.95 34.93 3hwl s ARG 52 CO 0.00 -0.63 1.48 1.21 -1.08 0.00 0.00 175.30 176.28 3hwl s ASN 53 N -2.88 5.95 0.00 -2.89 3.84 -1.26 -4.36 114.94 113.34 3hwl s ASN 53 Ca 0.10 0.13 0.19 0.00 0.21 0.00 0.00 52.86 53.49 3hwl s ASN 53 Cb -0.02 -2.55 -0.20 0.00 -0.55 0.00 0.00 41.25 37.94 3hwl s ASN 53 CO -0.01 -1.88 0.60 0.35 -2.79 0.00 0.00 177.10 173.37 3hwl n THR 54 N 6.82 0.81 -3.56 -5.21 -2.24 -1.26 -4.99 114.28 104.66 3hwl n THR 54 Ca 0.12 -0.65 -0.26 0.00 -2.27 0.00 0.00 64.05 60.99 3hwl n THR 54 Cb 0.50 -0.41 0.03 0.00 -2.10 0.00 0.00 70.33 68.35 3hwl n THR 54 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hwl n ASN 55 N -2.65 -5.24 0.00 3.42 5.15 -1.26 -2.62 115.26 112.05 3hwl n ASN 55 Ca -0.11 -0.55 0.00 0.00 -0.60 0.00 0.00 54.58 53.31 3hwl n ASN 55 Cb 0.79 -4.20 0.00 0.00 -0.53 0.00 0.00 39.78 35.84 3hwl n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hwl n GLY 56 N -1.63 0.66 3.01 8.20 0.00 -1.26 -5.03 105.19 109.15 3hwl n GLY 56 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 3hwl n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwl s VAL 57 N -2.42 0.73 0.29 1.61 1.01 -1.08 -2.00 120.40 118.54 3hwl s VAL 57 Ca 0.00 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3hwl s VAL 57 Cb 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 36.38 35.70 3hwl s VAL 57 CO 0.00 0.22 0.05 0.27 0.00 0.00 0.00 175.10 175.64 3hwl s ILE 58 N -0.04 1.07 0.52 2.22 -4.36 -0.38 -4.77 121.20 115.46 3hwl s ILE 58 Ca 0.01 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.37 3hwl s ILE 58 Cb -0.05 -2.68 0.01 0.00 1.25 0.00 0.00 42.46 40.99 3hwl s ILE 58 CO -0.00 -0.07 0.77 0.42 0.24 0.00 0.00 174.94 176.30 3hwl s THR 59 N -3.39 3.60 0.25 8.37 -4.23 -1.26 -4.80 115.64 114.18 3hwl s THR 59 Ca 0.35 -0.38 -0.06 0.00 -1.18 0.00 0.00 61.69 60.42 3hwl s THR 59 Cb 0.08 -3.37 0.25 0.00 1.34 0.00 0.00 72.50 70.80 3hwl s THR 59 CO 0.14 -0.30 1.92 0.50 -0.54 0.00 0.00 174.62 176.35 3hwl h LYS 60 N 0.14 1.29 -0.50 3.99 3.64 -1.99 -0.60 116.57 122.54 3hwl h LYS 60 Ca -0.45 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 3hwl h LYS 60 Cb 1.26 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3hwl h LYS 60 CO 0.57 0.86 0.31 -0.44 -2.27 0.00 0.00 179.45 178.48 3hwl h ASP 61 N 1.33 0.50 -0.68 4.20 3.32 -1.99 -0.33 116.42 122.77 3hwl h ASP 61 Ca 0.37 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.35 3hwl h ASP 61 Cb -0.14 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 3hwl h ASP 61 CO -0.08 0.36 0.17 -0.33 -1.72 0.00 0.00 179.24 177.64 3hwl h GLU 62 N 0.61 1.08 -0.89 3.56 5.08 -1.83 -0.86 114.58 121.33 3hwl h GLU 62 Ca 0.20 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3hwl h GLU 62 Cb -0.00 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.06 3hwl h GLU 62 CO -0.08 0.96 0.53 0.00 -1.00 0.00 0.00 179.01 179.42 3hwl h ALA 63 N 1.07 1.14 -0.07 3.43 0.00 -0.66 -1.87 119.26 122.30 3hwl h ALA 63 Ca 0.21 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3hwl h ALA 63 Cb 0.36 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hwl h ALA 63 CO 0.00 0.61 -0.49 0.93 0.00 0.00 0.00 179.25 180.29 3hwl h GLU 64 N 1.23 0.19 -0.20 0.00 5.08 -0.71 -1.65 114.58 118.53 3hwl h GLU 64 Ca 0.32 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3hwl h GLU 64 Cb -0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hwl h GLU 64 CO -0.06 0.64 0.01 -0.22 -1.00 0.00 0.00 179.01 178.39 3hwl h LYS 65 N 0.15 0.34 -0.74 2.33 3.64 -0.73 -0.49 116.57 121.07 3hwl h LYS 65 Ca 0.01 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 3hwl h LYS 65 Cb 0.93 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 3hwl h LYS 65 CO 0.07 0.52 0.49 -0.07 -2.27 0.00 0.00 179.45 178.20 3hwl h LEU 66 N 0.11 0.79 -0.23 5.20 3.38 -1.23 -2.13 115.31 121.20 3hwl h LEU 66 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3hwl h LEU 66 Cb 0.36 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hwl h LEU 66 CO 0.01 0.55 0.07 0.15 0.09 0.00 0.00 178.44 179.30 3hwl h PHE 67 N 0.92 0.38 -0.59 1.13 3.57 -1.00 0.09 116.94 121.44 3hwl h PHE 67 Ca 0.29 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.82 3hwl h PHE 67 Cb 0.03 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 3hwl h PHE 67 CO -0.00 0.45 0.28 0.00 -2.23 0.00 0.00 178.31 176.81 3hwl h GLN 69 N 0.52 0.97 -0.13 0.00 4.20 -1.04 -1.47 115.11 118.15 3hwl h GLN 69 Ca 0.28 -0.25 -0.17 0.00 0.06 0.00 0.00 58.65 58.58 3hwl h GLN 69 Cb 0.25 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hwl h GLN 69 CO -0.22 0.90 -0.62 -0.44 -0.67 0.00 0.00 178.83 177.78 3hwl h ASP 70 N 0.91 0.52 -0.23 1.46 3.32 -0.29 0.91 116.42 123.02 3hwl h ASP 70 Ca 0.18 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3hwl h ASP 70 Cb 0.41 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3hwl h ASP 70 CO 0.01 1.01 -0.19 0.58 -1.72 0.00 0.00 179.24 178.94 3hwl h VAL 71 N 0.33 1.32 -0.48 -1.35 2.07 -0.93 -1.77 116.25 115.43 3hwl h VAL 71 Ca -0.01 -1.32 0.08 0.00 0.82 0.00 0.00 66.70 66.27 3hwl h VAL 71 Cb 1.17 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.54 3hwl h VAL 71 CO 0.11 0.41 0.10 -0.78 0.02 0.00 0.00 177.57 177.43 3hwl h ASP 72 N 0.24 0.01 -0.68 0.57 1.82 -1.13 -1.45 116.42 115.80 3hwl h ASP 72 Ca 0.04 0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.73 3hwl h ASP 72 Cb 0.72 0.11 -0.03 0.00 0.68 0.00 0.00 39.33 40.81 3hwl h ASP 72 CO 0.05 0.04 0.30 0.00 -1.61 0.00 0.00 179.24 178.02 3hwl h ALA 73 N 1.37 1.22 -0.50 -0.78 0.00 -0.72 -0.31 119.26 119.53 3hwl h ALA 73 Ca 0.24 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hwl h ALA 73 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hwl h ALA 73 CO -0.31 0.58 0.03 0.00 0.00 0.00 0.00 179.25 179.56 3hwl h ALA 74 N 1.33 0.67 -0.37 0.00 0.00 -0.63 -0.25 119.26 120.01 3hwl h ALA 74 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hwl h ALA 74 Cb 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hwl h ALA 74 CO -0.03 0.45 0.11 0.28 0.00 0.00 0.00 179.25 180.06 3hwl h VAL 75 N 0.73 1.22 -0.88 0.00 2.07 -0.93 -1.77 116.25 116.69 3hwl h VAL 75 Ca 0.15 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.95 3hwl h VAL 75 Cb 0.47 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3hwl h VAL 75 CO 0.02 0.25 0.58 0.03 0.02 0.00 0.00 177.57 178.46 3hwl h ARG 76 N 0.45 1.17 -0.49 1.57 3.08 -0.92 -0.63 114.38 118.61 3hwl h ARG 76 Ca 0.12 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3hwl h ARG 76 Cb 0.27 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3hwl h ARG 76 CO -0.00 0.78 0.18 0.78 -1.07 0.00 0.00 179.97 180.63 3hwl h GLY 77 N 1.20 0.80 0.97 0.04 0.00 -0.79 -1.26 103.07 104.03 3hwl h GLY 77 Ca 0.32 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3hwl h GLY 77 CO -0.07 0.42 0.04 -2.22 0.00 0.00 0.00 176.54 174.71 3hwl h ILE 78 N 0.65 1.05 0.00 2.60 2.04 -0.87 -2.67 117.51 120.30 3hwl h ILE 78 Ca 0.16 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 3hwl h ILE 78 Cb 0.23 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3hwl h ILE 78 CO -0.01 0.04 -0.17 -0.07 0.00 0.00 0.00 178.15 177.94 3hwl h LEU 79 N 0.05 0.00 -0.14 1.44 3.38 -0.86 -2.25 115.31 116.93 3hwl h LEU 79 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hwl h LEU 79 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hwl h LEU 79 CO -0.00 0.17 -0.26 0.54 0.09 0.00 0.00 178.44 178.97 3hwl n ARG 80 N -4.22 0.31 -3.52 1.13 1.74 -0.50 -4.79 116.66 106.82 3hwl n ARG 80 Ca -0.02 -0.14 -0.37 0.00 -0.77 0.00 0.00 57.85 56.54 3hwl n ARG 80 Cb 0.24 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 3hwl n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3hwl s ASN 81 N -2.78 6.33 0.51 0.55 3.84 -0.86 -4.97 114.94 117.56 3hwl s ASN 81 Ca 0.18 0.38 0.23 0.00 0.21 0.00 0.00 52.86 53.87 3hwl s ASN 81 Cb 0.19 -2.18 1.39 0.00 -0.55 0.00 0.00 41.25 40.10 3hwl s ASN 81 CO 0.58 0.01 2.09 0.00 -2.79 0.00 0.00 177.10 177.00 3hwl h ALA 82 N 7.24 1.50 0.15 1.71 0.00 -1.89 -0.74 119.26 127.23 3hwl h ALA 82 Ca -0.38 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 3hwl h ALA 82 Cb 1.16 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3hwl h ALA 82 CO 0.71 0.13 -1.78 0.87 0.00 0.00 0.00 179.25 179.18 3hwl h LYS 83 N 0.00 0.32 0.19 0.00 1.79 -1.92 -3.41 116.57 113.54 3hwl h LYS 83 Ca -0.00 -0.54 -0.33 0.00 -2.18 0.00 0.00 60.65 57.60 3hwl h LYS 83 Cb 0.24 0.20 0.02 0.00 -1.58 0.00 0.00 32.23 31.11 3hwl h LYS 83 CO 0.01 1.22 -1.58 -0.07 -1.08 0.00 0.00 179.45 177.95 3hwl h LEU 84 N 0.09 0.64 -0.43 2.94 3.38 -1.76 -3.37 115.31 116.80 3hwl h LEU 84 Ca -0.35 -0.82 0.06 0.00 0.09 0.00 0.00 57.88 56.87 3hwl h LEU 84 Cb 2.07 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 42.55 3hwl h LEU 84 CO 0.15 1.67 0.11 0.50 0.09 0.00 0.00 178.44 180.95 3hwl h LYS 85 N 0.11 0.24 -0.93 1.13 3.64 -0.99 -0.17 116.57 119.60 3hwl h LYS 85 Ca -0.28 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.12 3hwl h LYS 85 Cb 2.10 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.81 3hwl h LYS 85 CO 0.21 0.16 0.60 -1.35 -2.27 0.00 0.00 179.45 176.81 3hwl h PRO 86 N 0.25 1.13 -0.11 1.90 0.11 -1.78 0.12 132.00 133.62 3hwl h PRO 86 Ca 0.21 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 3hwl h PRO 86 Cb 0.24 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3hwl h PRO 86 CO -0.25 0.75 -0.00 0.28 -0.21 0.00 0.00 178.00 178.56 3hwl h VAL 87 N 1.16 1.25 -0.45 3.15 2.07 -1.55 -2.38 116.25 119.50 3hwl h VAL 87 Ca 0.37 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 67.13 3hwl h VAL 87 Cb 0.02 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3hwl h VAL 87 CO -0.13 0.23 0.20 0.22 0.02 0.00 0.00 177.57 178.12 3hwl h TYR 88 N -0.08 0.36 -0.15 1.57 5.03 -0.73 -1.33 116.97 121.63 3hwl h TYR 88 Ca 0.03 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.38 3hwl h TYR 88 Cb 0.36 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.53 3hwl h TYR 88 CO 0.03 0.17 0.10 -0.44 -1.32 0.00 0.00 178.16 176.70 3hwl h ASP 89 N 0.40 0.12 1.48 -2.11 3.32 -0.71 -2.22 116.42 116.69 3hwl h ASP 89 Ca 0.20 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hwl h ASP 89 Cb 0.14 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hwl h ASP 89 CO -0.17 0.09 0.00 0.77 -1.72 0.00 0.00 179.24 178.21 3hwl h SER 90 N 0.14 0.00 -3.11 6.45 4.64 -0.70 -3.47 113.55 117.50 3hwl h SER 90 Ca 0.06 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.89 3hwl h SER 90 Cb 0.08 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3hwl h SER 90 CO -0.01 0.00 -0.12 -0.76 -0.87 0.00 0.00 176.83 175.07 3hwl s LEU 91 N -4.61 3.97 0.93 5.97 1.43 -0.84 -5.07 118.68 120.46 3hwl s LEU 91 Ca 0.10 0.65 -0.14 0.00 -1.03 0.00 0.00 54.13 53.71 3hwl s LEU 91 Cb 0.12 -3.51 0.15 0.00 0.03 0.00 0.00 46.19 42.99 3hwl s LEU 91 CO 0.59 -0.30 1.17 1.51 0.23 0.00 0.00 176.35 179.56 3hwl s ASP 92 N -3.67 3.35 0.26 2.29 -4.77 -1.26 -4.80 116.67 108.06 3hwl s ASP 92 Ca 0.43 0.78 -0.03 0.00 -3.30 0.00 0.00 52.55 50.43 3hwl s ASP 92 Cb -0.10 -1.21 0.32 0.00 -1.09 0.00 0.00 42.92 40.83 3hwl s ASP 92 CO 0.35 -2.63 1.79 0.00 0.70 0.00 0.00 175.17 175.38 3hwl h VAL 94 N 0.88 1.28 -0.06 0.00 2.07 -1.94 -2.23 116.25 116.25 3hwl h VAL 94 Ca 0.19 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 3hwl h VAL 94 Cb 0.32 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3hwl h VAL 94 CO 0.00 0.33 -0.49 0.03 0.02 0.00 0.00 177.57 177.46 3hwl h ARG 95 N 0.23 0.15 -0.84 1.57 3.08 -1.78 -2.35 114.38 114.44 3hwl h ARG 95 Ca 0.06 -0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.12 3hwl h ARG 95 Cb 0.53 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 3hwl h ARG 95 CO 0.02 0.61 0.50 0.00 -1.07 0.00 0.00 179.97 180.03 3hwl h ARG 96 N 0.12 0.82 -0.84 0.04 3.08 -0.81 -1.68 114.38 115.10 3hwl h ARG 96 Ca 0.00 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3hwl h ARG 96 Cb 0.91 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.72 3hwl h ARG 96 CO 0.07 0.54 0.54 0.00 -1.07 0.00 0.00 179.97 180.05 3hwl h ALA 97 N 1.45 1.12 -0.65 0.04 0.00 -0.88 -0.68 119.26 119.67 3hwl h ALA 97 Ca 0.40 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 3hwl h ALA 97 Cb 0.34 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hwl h ALA 97 CO -0.23 0.35 0.24 0.00 0.00 0.00 0.00 179.25 179.61 3hwl h ALA 98 N 1.36 1.20 -0.38 0.00 0.00 -1.01 -0.36 119.26 120.07 3hwl h ALA 98 Ca 0.34 -0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3hwl h ALA 98 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3hwl h ALA 98 CO -0.13 0.58 -0.40 1.25 0.00 0.00 0.00 179.25 180.55 3hwl h LEU 99 N 0.94 1.00 -0.62 0.00 5.85 -0.82 -2.21 115.31 119.46 3hwl h LEU 99 Ca 0.22 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3hwl h LEU 99 Cb 0.22 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3hwl h LEU 99 CO -0.02 1.27 0.39 0.40 -0.34 0.00 0.00 178.44 180.14 3hwl h ILE 100 N 0.76 1.17 -0.31 4.05 2.04 -0.77 -1.81 117.51 122.63 3hwl h ILE 100 Ca 0.06 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.62 3hwl h ILE 100 Cb 0.99 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 3hwl h ILE 100 CO 0.10 0.18 -0.07 -1.13 0.00 0.00 0.00 178.15 177.23 3hwl h ASN 101 N 0.84 -0.27 -0.56 1.72 -0.73 -0.90 0.14 115.58 115.82 3hwl h ASN 101 Ca 0.22 0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.51 3hwl h ASN 101 Cb -0.05 0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.69 3hwl h ASN 101 CO -0.04 -0.09 0.34 0.24 -0.37 0.00 0.00 177.43 177.50 3hwl h MET 102 N 0.01 0.65 -0.49 6.67 2.86 -1.04 -1.65 114.93 121.94 3hwl h MET 102 Ca 0.15 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 3hwl h MET 102 Cb 0.23 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3hwl h MET 102 CO -0.31 0.43 -0.05 0.28 1.06 0.00 0.00 176.91 178.32 3hwl h VAL 103 N 0.67 1.25 -0.72 -2.22 2.07 -0.90 0.19 116.25 116.60 3hwl h VAL 103 Ca 0.23 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.66 3hwl h VAL 103 Cb 0.03 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 3hwl h VAL 103 CO -0.10 0.39 0.46 0.15 0.02 0.00 0.00 177.57 178.49 3hwl h PHE 104 N 0.78 0.86 0.04 1.57 3.04 -0.38 0.28 116.94 123.13 3hwl h PHE 104 Ca 0.14 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.93 3hwl h PHE 104 Cb 0.54 -0.29 0.02 0.00 2.56 0.00 0.00 35.95 38.78 3hwl h PHE 104 CO 0.03 0.51 -0.74 0.37 -2.02 0.00 0.00 178.31 176.46 3hwl h GLN 105 N 0.91 0.42 0.00 1.11 4.15 -0.84 -3.39 115.11 117.46 3hwl h GLN 105 Ca 0.28 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 59.19 3hwl h GLN 105 Cb -0.02 0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3hwl h GLN 105 CO -0.09 1.17 -1.12 -1.33 -1.93 0.00 0.00 178.83 175.53 3hwl n MET 106 N -4.14 1.54 0.00 1.69 2.81 0.63 -5.11 117.12 114.55 3hwl n MET 106 Ca -0.11 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 3hwl n MET 106 Cb 0.75 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 32.09 3hwl n MET 106 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hwl n GLY 107 N 1.62 0.50 0.27 3.03 0.00 0.96 -4.18 105.19 107.40 3hwl n GLY 107 Ca -0.00 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 3hwl n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hwl h GLU 108 N 0.00 -0.44 -0.72 1.61 4.81 -1.93 -2.34 114.58 115.58 3hwl h GLU 108 Ca 0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3hwl h GLU 108 Cb 0.00 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3hwl h GLU 108 CO 0.00 -0.29 0.30 1.15 -0.73 0.00 0.00 179.01 179.44 3hwl h THR 109 N -0.45 1.24 -0.16 0.32 2.02 -1.97 -0.92 112.91 112.99 3hwl h THR 109 Ca 0.02 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.49 3hwl h THR 109 Cb 0.46 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3hwl h THR 109 CO -0.12 0.30 0.03 1.23 0.37 0.00 0.00 175.52 177.33 3hwl h GLY 110 N 1.09 0.17 1.63 2.16 0.00 -1.67 -3.00 103.07 103.45 3hwl h GLY 110 Ca 0.24 -0.01 -0.19 0.00 0.00 0.00 0.00 47.33 47.37 3hwl h GLY 110 CO -0.02 -0.00 -0.80 -2.08 0.00 0.00 0.00 176.54 173.64 3hwl h VAL 111 N 0.09 1.41 0.00 4.60 2.07 -1.21 -3.19 116.25 120.02 3hwl h VAL 111 Ca 0.07 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3hwl h VAL 111 Cb 0.06 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3hwl h VAL 111 CO -0.09 0.68 0.00 0.00 0.02 0.00 0.00 177.57 178.18 3hwl h ALA 112 N 0.91 1.00 -0.00 1.67 0.00 -1.05 -1.57 119.26 120.22 3hwl h ALA 112 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hwl h ALA 112 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3hwl h ALA 112 CO 0.13 0.00 -0.15 0.41 0.00 0.00 0.00 179.25 179.64 3hwl n GLY 113 N -0.74 -1.18 2.39 0.00 0.00 -1.14 -4.42 105.19 100.09 3hwl n GLY 113 Ca -0.02 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3hwl n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hwl n PHE 114 N -1.24 2.63 -0.22 1.61 3.01 -0.59 -4.75 117.46 117.91 3hwl n PHE 114 Ca 0.11 -3.08 -0.00 0.00 1.01 0.00 0.00 57.45 55.48 3hwl n PHE 114 Cb 0.30 -2.51 0.11 0.00 -0.01 0.00 0.00 39.48 37.37 3hwl n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 3hwl h THR 115 N 3.18 0.87 -0.24 4.37 2.02 -1.85 -1.27 112.91 119.99 3hwl h THR 115 Ca 0.82 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.71 3hwl h THR 115 Cb 0.35 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 3hwl h THR 115 CO 1.81 0.10 -0.23 0.78 0.37 0.00 0.00 175.52 178.34 3hwl h ASN 116 N 0.55 0.61 -0.55 4.18 2.35 -1.98 -1.95 115.58 118.80 3hwl h ASN 116 Ca 0.31 -0.47 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 3hwl h ASN 116 Cb 0.30 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3hwl h ASN 116 CO -0.24 0.96 0.18 0.28 -1.65 0.00 0.00 177.43 176.96 3hwl h SER 117 N 0.28 0.80 -0.90 5.81 0.02 -1.87 -2.07 113.55 115.62 3hwl h SER 117 Ca 0.04 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3hwl h SER 117 Cb 0.79 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.08 3hwl h SER 117 CO 0.06 0.79 0.57 -0.07 -1.14 0.00 0.00 176.83 177.04 3hwl h LEU 118 N 0.77 1.07 -0.30 5.07 3.38 -1.23 -0.74 115.31 123.33 3hwl h LEU 118 Ca 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hwl h LEU 118 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hwl h LEU 118 CO -0.01 0.80 0.14 -0.09 0.09 0.00 0.00 178.44 179.37 3hwl h ARG 119 N 1.24 0.43 -0.57 1.13 2.43 -1.09 -0.56 114.38 117.40 3hwl h ARG 119 Ca 0.33 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 3hwl h ARG 119 Cb -0.09 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3hwl h ARG 119 CO -0.07 0.42 0.17 0.52 -1.51 0.00 0.00 179.97 179.51 3hwl h MET 120 N 0.34 0.85 -0.24 0.20 2.86 -1.01 -0.61 114.93 117.32 3hwl h MET 120 Ca 0.10 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3hwl h MET 120 Cb 0.13 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3hwl h MET 120 CO -0.01 0.74 0.08 -0.07 1.06 0.00 0.00 176.91 178.71 3hwl h LEU 121 N 0.83 0.35 -1.52 1.22 3.38 -0.93 -0.93 115.31 117.71 3hwl h LEU 121 Ca 0.19 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3hwl h LEU 121 Cb 0.25 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3hwl h LEU 121 CO -0.01 0.45 0.38 -0.61 0.09 0.00 0.00 178.44 178.74 3hwl h GLN 122 N 0.23 0.59 -0.00 1.13 5.75 -0.79 -0.59 115.11 121.43 3hwl h GLN 122 Ca 0.08 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3hwl h GLN 122 Cb 0.23 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.64 3hwl h GLN 122 CO -0.00 0.39 -0.03 1.04 -2.65 0.00 0.00 178.83 177.57 3hwl n GLN 123 N -4.47 0.31 -3.06 1.69 6.02 -0.27 -4.91 117.38 112.69 3hwl n GLN 123 Ca 0.07 -0.03 -0.22 0.00 -0.01 0.00 0.00 57.00 56.82 3hwl n GLN 123 Cb 0.18 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.98 3hwl n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hwl n LYS 124 N -1.32 -5.11 -3.12 -1.09 5.02 -0.23 -4.93 118.16 107.38 3hwl n LYS 124 Ca 0.12 0.87 -0.44 0.00 -2.02 0.00 0.00 58.31 56.84 3hwl n LYS 124 Cb 0.28 -5.69 0.00 0.00 -0.02 0.00 0.00 35.03 29.60 3hwl n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hwl n ARG 125 N -4.03 3.54 -0.12 1.97 1.74 -0.44 -4.90 116.66 114.41 3hwl n ARG 125 Ca -0.10 -4.18 -0.11 0.00 -0.77 0.00 0.00 57.85 52.70 3hwl n ARG 125 Cb 0.61 -2.76 -0.02 0.00 -1.02 0.00 0.00 32.46 29.27 3hwl n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 3hwl h TRP 126 N 6.71 0.69 -0.47 -1.55 -0.00 -1.89 0.65 115.95 120.10 3hwl h TRP 126 Ca 0.25 -0.12 -0.09 0.00 -0.00 0.00 0.00 58.89 58.93 3hwl h TRP 126 Cb 0.84 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.81 3hwl h TRP 126 CO 0.93 0.73 -0.04 -0.44 -0.00 0.00 0.00 178.44 179.62 3hwl h ASP 127 N 0.45 0.85 -0.33 -3.49 5.19 -1.90 -0.88 116.42 116.31 3hwl h ASP 127 Ca 0.10 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 3hwl h ASP 127 Cb 0.45 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 3hwl h ASP 127 CO 0.02 0.97 0.15 -0.33 -3.12 0.00 0.00 179.24 176.94 3hwl h GLU 128 N 0.70 0.48 -0.46 3.56 5.08 -1.91 -2.79 114.58 119.24 3hwl h GLU 128 Ca 0.13 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3hwl h GLU 128 Cb 0.57 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3hwl h GLU 128 CO 0.03 0.44 0.19 0.00 -1.00 0.00 0.00 179.01 178.68 3hwl h ALA 129 N 1.01 0.56 0.00 3.43 0.00 -0.79 -0.64 119.26 122.83 3hwl h ALA 129 Ca 0.11 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hwl h ALA 129 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hwl h ALA 129 CO -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.05 3hwl n ALA 130 N -2.36 1.04 0.00 0.00 0.00 -0.34 -0.52 120.51 118.33 3hwl n ALA 130 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hwl n ALA 130 Cb 0.15 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3hwl n ALA 130 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hwl n ASN 132 N 0.58 0.00 0.24 0.00 2.85 -0.25 -2.88 115.26 115.80 3hwl n ASN 132 Ca 0.00 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.55 3hwl n ASN 132 Cb 0.00 0.00 0.60 0.00 1.24 0.00 0.00 39.78 41.62 3hwl n ASN 132 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3hwl h LEU 133 N 0.00 0.00 -0.02 1.20 3.38 -1.06 -2.21 115.31 116.60 3hwl h LEU 133 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hwl h LEU 133 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3hwl h LEU 133 CO 0.00 0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.69 3hwl n ALA 134 N -2.41 2.19 -1.90 1.53 0.00 -1.14 -3.84 120.51 114.94 3hwl n ALA 134 Ca -0.02 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.94 3hwl n ALA 134 Cb 0.24 -1.43 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 3hwl n ALA 134 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hwl n LYS 135 N -1.60 4.31 -3.81 0.00 5.02 -0.83 -4.69 118.16 116.55 3hwl n LYS 135 Ca 0.06 -3.23 -0.12 0.00 -2.02 0.00 0.00 58.31 53.01 3hwl n LYS 135 Cb 0.32 -2.70 -0.09 0.00 -0.02 0.00 0.00 35.03 32.54 3hwl n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hwl s SER 136 N 0.80 -0.05 0.25 4.39 1.04 -1.25 -5.02 113.70 113.86 3hwl s SER 136 Ca 0.55 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.75 3hwl s SER 136 Cb 0.17 0.29 0.33 0.00 0.10 0.00 0.00 66.02 66.91 3hwl s SER 136 CO -0.08 -0.50 1.88 -0.09 0.98 0.00 0.00 173.24 175.43 3hwl h ARG 137 N 3.69 1.08 -0.49 4.02 2.43 -1.92 -2.11 114.38 121.08 3hwl h ARG 137 Ca -0.31 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 58.89 3hwl h ARG 137 Cb 1.19 -0.24 -0.10 0.00 -0.42 0.00 0.00 29.97 30.39 3hwl h ARG 137 CO 0.44 0.72 -0.30 2.35 -1.51 0.00 0.00 179.97 181.67 3hwl h TRP 138 N 1.12 -0.81 -0.46 2.20 7.01 -1.95 0.14 115.95 123.20 3hwl h TRP 138 Ca 0.39 0.06 -0.05 0.00 2.11 0.00 0.00 58.89 61.40 3hwl h TRP 138 Cb 0.09 0.43 -0.02 0.00 -2.10 0.00 0.00 29.16 27.56 3hwl h TRP 138 CO -0.01 -0.36 0.09 -0.92 -2.79 0.00 0.00 178.44 174.44 3hwl h TYR 139 N -0.18 0.79 -0.29 2.65 3.20 -1.74 -1.79 116.97 119.62 3hwl h TYR 139 Ca 0.21 -0.11 -0.12 0.00 3.14 0.00 0.00 58.73 61.86 3hwl h TYR 139 Cb 0.53 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3hwl h TYR 139 CO -0.56 0.74 -0.32 -0.91 -1.64 0.00 0.00 178.16 175.47 3hwl h ASN 140 N 0.62 0.63 0.79 -2.11 4.21 -0.73 -2.01 115.58 116.98 3hwl h ASN 140 Ca 0.14 -0.25 -0.25 0.00 1.21 0.00 0.00 56.30 57.16 3hwl h ASN 140 Cb 0.37 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.37 3hwl h ASN 140 CO 0.01 0.91 -1.21 1.56 -1.29 0.00 0.00 177.43 177.40 3hwl h GLN 141 N 0.52 0.08 -2.07 0.81 1.08 -0.68 -3.38 115.11 111.46 3hwl h GLN 141 Ca 0.06 -0.13 -0.57 0.00 -1.45 0.00 0.00 58.65 56.56 3hwl h GLN 141 Cb 0.81 0.05 -0.40 0.00 -0.05 0.00 0.00 27.48 27.88 3hwl h GLN 141 CO 0.07 0.98 -0.92 0.25 -0.95 0.00 0.00 178.83 178.25 3hwl n THR 142 N -3.35 0.47 -0.24 -0.54 -2.24 -0.68 -5.00 114.28 102.70 3hwl n THR 142 Ca -0.06 -4.48 -0.07 0.00 -2.27 0.00 0.00 64.05 57.16 3hwl n THR 142 Cb 0.98 -1.96 0.04 0.00 -2.10 0.00 0.00 70.33 67.30 3hwl n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 3hwl h PRO 143 N 4.02 1.06 -0.32 -0.78 0.13 -1.56 -0.38 132.00 134.18 3hwl h PRO 143 Ca 0.12 -0.24 -0.09 0.00 -0.87 0.00 0.00 66.00 64.91 3hwl h PRO 143 Cb 0.80 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 3hwl h PRO 143 CO 0.60 0.93 -0.16 -0.91 -0.23 0.00 0.00 178.00 178.23 3hwl h ASN 144 N 0.99 0.69 -0.23 1.44 2.35 -1.94 0.10 115.58 118.98 3hwl h ASN 144 Ca 0.21 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 3hwl h ASN 144 Cb 0.33 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3hwl h ASN 144 CO -0.00 0.95 0.02 -0.09 -1.65 0.00 0.00 177.43 176.66 3hwl h ARG 145 N 0.44 0.39 -0.93 0.81 2.43 -1.95 -2.50 114.38 113.08 3hwl h ARG 145 Ca 0.07 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hwl h ARG 145 Cb 0.70 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 3hwl h ARG 145 CO 0.05 0.55 0.60 0.00 -1.51 0.00 0.00 179.97 179.65 3hwl h ALA 146 N 0.83 1.30 -0.99 2.80 0.00 -0.97 -1.49 119.26 120.75 3hwl h ALA 146 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hwl h ALA 146 Cb 0.36 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3hwl h ALA 146 CO 0.01 0.63 0.64 0.87 0.00 0.00 0.00 179.25 181.39 3hwl h LYS 147 N 1.27 1.32 -0.47 0.00 1.57 -0.70 0.21 116.57 119.78 3hwl h LYS 147 Ca 0.34 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3hwl h LYS 147 Cb -0.11 -0.29 -0.02 0.00 0.08 0.00 0.00 32.23 31.89 3hwl h LYS 147 CO -0.07 0.89 0.09 0.00 -0.57 0.00 0.00 179.45 179.79 3hwl h ARG 148 N 1.35 0.77 -0.30 3.15 3.08 -0.90 -0.08 114.38 121.44 3hwl h ARG 148 Ca 0.36 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3hwl h ARG 148 Cb -0.12 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3hwl h ARG 148 CO -0.07 0.77 -0.14 0.28 -1.07 0.00 0.00 179.97 179.73 3hwl h VAL 149 N 0.64 1.29 -0.74 2.04 2.07 -0.96 -2.03 116.25 118.56 3hwl h VAL 149 Ca 0.14 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3hwl h VAL 149 Cb 0.37 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3hwl h VAL 149 CO 0.01 0.40 0.28 0.40 0.02 0.00 0.00 177.57 178.68 3hwl h ILE 150 N 0.39 1.25 -0.57 4.57 2.04 -0.51 -1.56 117.51 123.12 3hwl h ILE 150 Ca 0.07 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.11 3hwl h ILE 150 Cb 0.66 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 3hwl h ILE 150 CO 0.04 0.32 0.30 0.74 0.00 0.00 0.00 178.15 179.56 3hwl h THR 151 N 1.07 1.18 -0.41 -0.27 2.02 -0.82 0.21 112.91 115.90 3hwl h THR 151 Ca 0.25 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 3hwl h THR 151 Cb 0.22 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3hwl h THR 151 CO -0.02 0.20 -0.05 0.74 0.37 0.00 0.00 175.52 176.76 3hwl h THR 152 N 0.79 1.27 -0.71 3.16 2.02 -0.68 -0.87 112.91 117.89 3hwl h THR 152 Ca 0.20 -1.11 -0.07 0.00 0.77 0.00 0.00 66.41 66.21 3hwl h THR 152 Cb 0.04 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3hwl h THR 152 CO -0.03 0.37 0.18 -0.26 0.37 0.00 0.00 175.52 176.15 3hwl h PHE 153 N 0.58 1.17 -0.42 3.16 0.04 -0.78 0.52 116.94 121.20 3hwl h PHE 153 Ca 0.11 -0.13 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 3hwl h PHE 153 Cb 0.55 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3hwl h PHE 153 CO 0.04 0.95 -0.17 -0.09 -0.60 0.00 0.00 178.31 178.44 3hwl h ARG 154 N 1.07 0.86 0.00 1.51 2.43 -0.30 -3.36 114.38 116.59 3hwl h ARG 154 Ca 0.22 -0.36 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 3hwl h ARG 154 Cb 0.36 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3hwl h ARG 154 CO 0.00 1.00 -1.92 0.25 -1.51 0.00 0.00 179.97 177.79 3hwl n THR 155 N -4.24 0.40 -1.80 0.20 -2.24 -0.36 -4.76 114.28 101.49 3hwl n THR 155 Ca -0.01 -0.51 -0.14 0.00 -2.27 0.00 0.00 64.05 61.12 3hwl n THR 155 Cb 0.41 -0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.47 3hwl n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwl n GLY 156 N 1.67 0.74 3.50 3.38 0.00 0.17 -5.00 105.19 109.65 3hwl n GLY 156 Ca -0.12 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 3hwl n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hwl s THR 157 N -2.62 1.49 -0.40 2.61 -4.23 -1.26 -4.82 115.64 106.42 3hwl s THR 157 Ca 0.00 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.60 3hwl s THR 157 Cb 0.00 -2.84 0.64 0.00 1.34 0.00 0.00 72.50 71.64 3hwl s THR 157 CO 0.00 -0.02 1.52 0.79 -0.54 0.00 0.00 174.62 176.37 3hwl n TRP 158 N -0.77 1.76 -0.17 3.99 7.02 -1.26 -4.50 117.44 123.51 3hwl n TRP 158 Ca -0.03 -0.70 0.13 0.00 -1.02 0.00 0.00 57.50 55.88 3hwl n TRP 158 Cb 0.66 -0.48 0.47 0.00 -2.42 0.00 0.00 31.31 29.54 3hwl n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3hwl h ASP 159 N 2.87 0.46 0.91 -0.99 3.32 -1.96 -0.47 116.42 120.55 3hwl h ASP 159 Ca 0.06 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hwl h ASP 159 Cb 1.78 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.26 3hwl h ASP 159 CO 0.46 0.25 0.00 0.00 -1.72 0.00 0.00 179.24 178.22 3hwl n ALA 160 N -2.50 1.88 0.59 3.45 0.00 -1.26 -3.10 120.51 119.58 3hwl n ALA 160 Ca 0.14 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.66 3hwl n ALA 160 Cb 0.46 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 3hwl n ALA 160 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hwl n TYR 161 N -2.05 0.00 1.16 0.00 4.02 -0.21 -4.96 117.16 115.12 3hwl n TYR 161 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.05 3hwl n TYR 161 Cb 0.28 0.00 0.23 0.00 -0.02 0.00 0.00 39.34 39.84 3hwl n TYR 161 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48