#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d5w s GLN 2 N 0.00 2.02 -1.05 2.12 0.74 -1.26 -5.07 119.66 117.16 1d5w s GLN 2 Ca 0.00 -1.08 -0.04 0.00 0.05 0.00 0.00 55.36 54.29 1d5w s GLN 2 Cb 0.00 -2.24 0.29 0.00 1.10 0.00 0.00 33.01 32.16 1d5w s GLN 2 CO 0.00 0.50 1.32 -3.47 -0.55 0.00 0.00 175.29 173.09 1d5w n ASP 3 N 0.70 5.94 -4.77 6.67 4.64 -1.26 -5.02 116.55 123.45 1d5w n ASP 3 Ca -0.14 -3.32 -0.25 0.00 -1.38 0.00 0.00 54.79 49.69 1d5w n ASP 3 Cb 0.52 -1.24 -0.06 0.00 -1.04 0.00 0.00 41.12 39.30 1d5w n ASP 3 CO 0.00 0.00 0.00 -0.72 -0.82 0.00 0.00 177.20 175.66 1d5w s TYR 4 N -2.39 2.40 -0.05 -0.67 1.13 -1.26 -4.96 117.35 111.55 1d5w s TYR 4 Ca 0.31 -0.65 0.04 0.00 -1.41 0.00 0.00 57.07 55.37 1d5w s TYR 4 Cb 0.02 -1.94 -0.00 0.00 -1.10 0.00 0.00 41.96 38.94 1d5w s TYR 4 CO 0.05 0.07 -0.19 0.99 -2.51 0.00 0.00 175.55 173.96 1d5w s THR 5 N -2.64 1.57 -0.33 -3.49 2.01 -0.76 -4.21 115.64 107.79 1d5w s THR 5 Ca 0.37 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 1d5w s THR 5 Cb 0.02 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 1d5w s THR 5 CO 0.21 0.45 0.52 -0.69 -0.69 0.00 0.00 174.62 174.41 1d5w s VAL 6 N 0.06 5.02 -0.18 3.82 1.01 0.57 -0.94 120.40 129.76 1d5w s VAL 6 Ca -0.05 0.48 -0.17 0.00 0.00 0.00 0.00 61.98 62.24 1d5w s VAL 6 Cb -0.13 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1d5w s VAL 6 CO 0.03 -0.14 0.45 -1.00 0.00 0.00 0.00 175.10 174.44 1d5w s HIS 7 N 2.39 3.40 -0.19 5.22 3.76 0.10 -1.85 115.29 128.12 1d5w s HIS 7 Ca 0.19 0.72 -0.06 0.00 -0.15 0.00 0.00 55.06 55.77 1d5w s HIS 7 Cb -0.15 -2.57 -0.03 0.00 1.11 0.00 0.00 32.58 30.93 1d5w s HIS 7 CO 0.12 0.00 0.02 0.42 -0.85 0.00 0.00 174.74 174.46 1d5w s ILE 8 N 1.26 4.22 -0.10 0.60 1.01 0.24 -1.44 121.20 126.99 1d5w s ILE 8 Ca 0.22 -0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.66 1d5w s ILE 8 Cb -0.15 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.43 1d5w s ILE 8 CO 0.09 0.43 -0.14 -0.69 0.00 0.00 0.00 174.94 174.63 1d5w s VAL 9 N 0.80 1.39 -0.28 2.92 1.01 -0.86 -1.20 120.40 124.18 1d5w s VAL 9 Ca 0.01 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.17 1d5w s VAL 9 Cb -0.14 -1.27 0.13 0.00 0.00 0.00 0.00 36.38 35.10 1d5w s VAL 9 CO 0.02 0.42 1.04 -0.62 0.00 0.00 0.00 175.10 175.96 1d5w s ASP 10 N 0.90 -0.44 0.39 3.32 -1.08 -1.26 -4.43 116.67 114.06 1d5w s ASP 10 Ca -0.09 0.82 0.20 0.00 -0.52 0.00 0.00 52.55 52.95 1d5w s ASP 10 Cb -0.15 0.91 0.75 0.00 -1.46 0.00 0.00 42.92 42.97 1d5w s ASP 10 CO 0.00 -0.14 1.77 -2.24 0.52 0.00 0.00 175.17 175.08 1d5w h ASP 11 N 4.57 0.00 -3.31 -0.34 3.04 -1.89 -3.41 116.42 115.08 1d5w h ASP 11 Ca -0.28 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 52.91 1d5w h ASP 11 Cb 1.18 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.36 1d5w h ASP 11 CO 0.13 0.34 0.61 -1.61 -2.04 0.00 0.00 179.24 176.67 1d5w s GLU 12 N -3.67 3.40 0.23 4.15 2.02 -1.26 -4.93 118.70 118.64 1d5w s GLU 12 Ca -0.00 -0.11 -0.06 0.00 0.02 0.00 0.00 54.97 54.82 1d5w s GLU 12 Cb 0.11 -4.02 0.41 0.00 0.10 0.00 0.00 34.13 30.74 1d5w s GLU 12 CO 0.68 -1.44 1.70 1.49 0.02 0.00 0.00 175.26 177.71 1d5w h GLU 13 N 9.28 0.30 -0.85 1.61 4.81 -1.94 -1.65 114.58 126.15 1d5w h GLU 13 Ca -0.25 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1d5w h GLU 13 Cb 1.07 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 1d5w h GLU 13 CO 1.08 0.20 0.56 -1.35 -0.73 0.00 0.00 179.01 178.78 1d5w h PRO 14 N 0.31 1.10 -0.23 0.92 0.11 -1.96 0.38 132.00 132.64 1d5w h PRO 14 Ca 0.39 -0.07 -0.16 0.00 0.11 0.00 0.00 66.00 66.27 1d5w h PRO 14 Cb 0.62 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1d5w h PRO 14 CO -0.45 0.73 -0.48 0.28 -0.21 0.00 0.00 178.00 177.87 1d5w h VAL 15 N 1.14 1.30 -0.31 3.15 2.07 -1.82 -1.44 116.25 120.34 1d5w h VAL 15 Ca 0.31 -1.69 0.03 0.00 0.82 0.00 0.00 66.70 66.17 1d5w h VAL 15 Cb -0.12 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1d5w h VAL 15 CO -0.07 0.54 0.14 -0.09 0.02 0.00 0.00 177.57 178.11 1d5w h ARG 16 N 0.45 0.29 -0.89 1.57 2.43 -1.00 -2.12 114.38 115.10 1d5w h ARG 16 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1d5w h ARG 16 Cb 1.09 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 1d5w h ARG 16 CO 0.11 0.19 0.50 0.87 -1.51 0.00 0.00 179.97 180.13 1d5w h LYS 17 N 0.30 1.24 -0.21 0.20 1.57 -0.84 -1.77 116.57 117.06 1d5w h LYS 17 Ca 0.13 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1d5w h LYS 17 Cb 0.06 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 1d5w h LYS 17 CO -0.10 0.90 0.07 1.03 -0.57 0.00 0.00 179.45 180.78 1d5w h SER 18 N 1.25 0.09 -0.43 0.86 0.87 -0.62 0.40 113.55 115.96 1d5w h SER 18 Ca 0.32 0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.76 1d5w h SER 18 Cb 0.01 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1d5w h SER 18 CO -0.05 0.08 -0.24 0.25 -0.53 0.00 0.00 176.83 176.34 1d5w h LEU 19 N 0.17 0.96 -0.58 2.23 5.85 -1.32 -2.74 115.31 119.88 1d5w h LEU 19 Ca 0.09 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1d5w h LEU 19 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1d5w h LEU 19 CO -0.09 1.17 0.20 0.00 -0.34 0.00 0.00 178.44 179.38 1d5w h ALA 20 N 0.83 0.76 -0.03 1.25 0.00 -1.05 -2.06 119.26 118.96 1d5w h ALA 20 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1d5w h ALA 20 Cb 0.82 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1d5w h ALA 20 CO 0.07 0.40 0.02 0.35 0.00 0.00 0.00 179.25 180.09 1d5w h PHE 21 N 0.81 0.04 -0.19 0.00 3.57 -0.91 -0.82 116.94 119.45 1d5w h PHE 21 Ca 0.19 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1d5w h PHE 21 Cb 0.25 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1d5w h PHE 21 CO 0.01 0.07 0.10 1.98 -2.23 0.00 0.00 178.31 178.24 1d5w h MET 22 N -0.00 0.21 -0.66 1.11 4.05 -1.42 -0.50 114.93 117.73 1d5w h MET 22 Ca 0.01 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1d5w h MET 22 Cb 0.04 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 1d5w h MET 22 CO -0.00 0.14 0.31 -0.07 0.23 0.00 0.00 176.91 177.51 1d5w h LEU 23 N 0.22 0.87 -0.91 3.39 3.38 -1.31 -1.36 115.31 119.58 1d5w h LEU 23 Ca 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1d5w h LEU 23 Cb 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1d5w h LEU 23 CO -0.04 0.76 0.50 0.74 0.09 0.00 0.00 178.44 180.50 1d5w h THR 24 N 0.91 1.26 0.00 0.22 2.02 -0.96 -0.36 112.91 116.00 1d5w h THR 24 Ca 0.22 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1d5w h THR 24 Cb 0.14 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1d5w h THR 24 CO -0.03 0.29 -0.03 0.24 0.37 0.00 0.00 175.52 176.36 1d5w h MET 25 N 1.27 0.00 -0.68 6.66 2.86 -0.61 -2.16 114.93 122.27 1d5w h MET 25 Ca 0.32 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.80 1d5w h MET 25 Cb 0.02 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.58 1d5w h MET 25 CO -0.05 0.03 0.20 0.09 1.06 0.00 0.00 176.91 178.24 1d5w n ASN 26 N -3.16 4.93 0.00 1.22 3.02 -0.37 -4.94 115.26 115.95 1d5w n ASN 26 Ca -0.00 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 1d5w n ASN 26 Cb 0.28 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 1d5w n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d5w n GLY 27 N -0.05 0.50 3.84 7.41 0.00 -0.81 -5.03 105.19 111.05 1d5w n GLY 27 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 1d5w n GLY 27 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d5w s PHE 28 N -2.14 3.35 -0.11 1.61 0.40 -0.29 -4.99 117.98 115.82 1d5w s PHE 28 Ca 0.00 1.40 -0.27 0.00 -0.60 0.00 0.00 56.93 57.46 1d5w s PHE 28 Cb 0.00 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.82 1d5w s PHE 28 CO 0.00 -0.04 0.89 0.00 0.70 0.00 0.00 175.22 176.77 1d5w s ALA 29 N -2.14 3.40 0.11 5.36 0.00 -1.26 -4.34 121.76 122.89 1d5w s ALA 29 Ca 0.58 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1d5w s ALA 29 Cb -0.10 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1d5w s ALA 29 CO 0.17 -0.49 -0.14 0.08 0.00 0.00 0.00 175.76 175.37 1d5w s VAL 30 N 1.74 1.30 -0.17 0.00 1.01 -1.26 -0.32 120.40 122.70 1d5w s VAL 30 Ca 0.44 -1.63 -0.08 0.00 0.00 0.00 0.00 61.98 60.71 1d5w s VAL 30 Cb -0.18 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.82 1d5w s VAL 30 CO 0.17 -0.36 0.38 -0.75 0.00 0.00 0.00 175.10 174.54 1d5w s LYS 31 N -2.46 0.34 0.23 2.72 2.20 -0.77 -4.92 119.74 117.09 1d5w s LYS 31 Ca 0.07 0.80 -0.03 0.00 -0.36 0.00 0.00 55.97 56.45 1d5w s LYS 31 Cb -0.06 0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.24 1d5w s LYS 31 CO 0.03 -0.18 0.46 -1.64 -0.36 0.00 0.00 175.35 173.66 1d5w s MET 32 N 1.68 3.59 -0.03 4.03 -1.94 -1.26 -0.59 119.30 124.77 1d5w s MET 32 Ca -0.07 -0.15 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 1d5w s MET 32 Cb -0.10 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 34.00 1d5w s MET 32 CO -0.12 0.33 -0.07 -1.01 -0.01 0.00 0.00 175.02 174.13 1d5w s HIS 33 N -1.94 0.85 0.47 -0.03 0.09 -0.34 -4.89 115.29 109.50 1d5w s HIS 33 Ca 0.41 -0.22 0.20 0.00 -0.00 0.00 0.00 55.06 55.45 1d5w s HIS 33 Cb -0.11 -0.65 1.27 0.00 -0.00 0.00 0.00 32.58 33.09 1d5w s HIS 33 CO 0.29 -0.13 2.07 1.96 -0.00 0.00 0.00 174.74 178.93 1d5w h GLN 34 N 6.64 0.00 -3.16 1.40 4.20 -1.87 -3.36 115.11 118.96 1d5w h GLN 34 Ca -0.34 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.40 1d5w h GLN 34 Cb 1.17 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.88 1d5w h GLN 34 CO 0.48 0.12 0.14 -1.54 -0.67 0.00 0.00 178.83 177.36 1d5w s SER 35 N -6.67 -0.24 0.19 1.46 1.04 -1.26 -4.31 113.70 103.90 1d5w s SER 35 Ca -0.04 -0.63 -0.09 0.00 0.48 0.00 0.00 55.95 55.67 1d5w s SER 35 Cb 0.15 0.68 0.08 0.00 0.10 0.00 0.00 66.02 67.03 1d5w s SER 35 CO 0.64 -1.26 1.65 0.00 0.98 0.00 0.00 173.24 175.25 1d5w h ALA 36 N 2.07 0.84 -0.56 5.32 0.00 -1.89 -1.57 119.26 123.47 1d5w h ALA 36 Ca -0.22 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.43 1d5w h ALA 36 Cb 1.25 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1d5w h ALA 36 CO 0.28 0.67 0.27 0.93 0.00 0.00 0.00 179.25 181.40 1d5w h GLU 37 N 0.98 0.50 -0.05 0.00 3.07 -1.95 0.22 114.58 117.35 1d5w h GLU 37 Ca 0.17 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1d5w h GLU 37 Cb 0.56 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1d5w h GLU 37 CO 0.03 0.33 0.03 0.00 -1.40 0.00 0.00 179.01 178.00 1d5w h ALA 38 N 1.32 0.06 -0.72 3.43 0.00 -1.86 -2.23 119.26 119.26 1d5w h ALA 38 Ca 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1d5w h ALA 38 Cb 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1d5w h ALA 38 CO -0.20 -0.41 0.35 0.35 0.00 0.00 0.00 179.25 179.34 1d5w h PHE 39 N 0.01 1.02 -0.79 0.00 3.57 -0.59 -2.44 116.94 117.72 1d5w h PHE 39 Ca 0.02 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1d5w h PHE 39 Cb 0.05 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 1d5w h PHE 39 CO -0.06 0.74 0.50 1.25 -2.23 0.00 0.00 178.31 178.51 1d5w h LEU 40 N 1.03 0.93 -1.36 0.59 5.85 -0.28 0.26 115.31 122.31 1d5w h LEU 40 Ca 0.25 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 1d5w h LEU 40 Cb 0.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1d5w h LEU 40 CO -0.03 0.70 -0.27 0.00 -0.34 0.00 0.00 178.44 178.49 1d5w h ALA 41 N 1.27 1.19 0.00 1.25 0.00 -1.05 -2.79 119.26 119.14 1d5w h ALA 41 Ca 0.29 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1d5w h ALA 41 Cb -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1d5w h ALA 41 CO -0.06 0.34 -1.14 0.34 0.00 0.00 0.00 179.25 178.73 1d5w n PHE 42 N -3.69 0.94 -0.32 0.00 7.35 -0.81 -4.45 117.46 116.48 1d5w n PHE 42 Ca -0.01 0.28 0.18 0.00 -0.76 0.00 0.00 57.45 57.14 1d5w n PHE 42 Cb 0.38 -0.98 0.38 0.00 0.35 0.00 0.00 39.48 39.61 1d5w n PHE 42 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1d5w h ALA 43 N 1.86 1.62 -0.38 3.13 0.00 -0.22 -0.45 119.26 124.82 1d5w h ALA 43 Ca -0.04 0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1d5w h ALA 43 Cb 1.14 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1d5w h ALA 43 CO 0.01 -0.48 0.26 -1.35 0.00 0.00 0.00 179.25 177.69 1d5w h PRO 44 N 0.31 0.22 -0.00 0.00 0.11 -1.78 -1.56 132.00 129.29 1d5w h PRO 44 Ca 0.64 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.73 1d5w h PRO 44 Cb 1.35 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1d5w h PRO 44 CO -0.61 0.15 -0.15 -0.25 -0.21 0.00 0.00 178.00 176.93 1d5w n ASP 45 N -4.47 0.64 -4.73 -2.05 8.00 -0.18 -4.90 116.55 108.86 1d5w n ASP 45 Ca 0.05 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 1d5w n ASP 45 Cb 0.29 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 1d5w n ASP 45 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1d5w s VAL 46 N -2.47 3.16 -0.06 2.53 1.01 -0.59 -5.02 120.40 118.95 1d5w s VAL 46 Ca 0.28 0.92 0.01 0.00 0.00 0.00 0.00 61.98 63.19 1d5w s VAL 46 Cb 0.20 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1d5w s VAL 46 CO 0.48 0.12 -0.09 -0.13 0.00 0.00 0.00 175.10 175.49 1d5w s ARG 47 N 0.22 1.34 -1.23 2.72 1.81 -1.26 -4.83 118.95 117.72 1d5w s ARG 47 Ca 0.59 -0.27 -0.06 0.00 -1.72 0.00 0.00 55.73 54.28 1d5w s ARG 47 Cb -0.37 -1.21 -0.01 0.00 -0.45 0.00 0.00 34.95 32.90 1d5w s ARG 47 CO 0.36 -0.06 0.75 0.09 -0.68 0.00 0.00 175.30 175.77 1d5w n ASN 48 N 4.08 -2.99 -4.44 0.23 3.02 -1.26 -4.80 115.26 109.10 1d5w n ASN 48 Ca -0.22 -0.85 -0.26 0.00 -0.03 0.00 0.00 54.58 53.22 1d5w n ASN 48 Cb 0.51 -4.07 -0.11 0.00 -0.61 0.00 0.00 39.78 35.50 1d5w n ASN 48 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1d5w s GLY 49 N -4.00 1.76 -0.08 7.41 0.00 -1.26 -1.83 107.32 109.32 1d5w s GLY 49 Ca 0.19 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.22 1d5w s GLY 49 CO 0.81 -1.75 -0.13 0.14 0.00 0.00 0.00 173.10 172.18 1d5w s VAL 50 N -1.92 1.20 -0.17 1.40 1.01 -0.11 -4.20 120.40 117.61 1d5w s VAL 50 Ca 0.24 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 1d5w s VAL 50 Cb -0.07 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 35.16 1d5w s VAL 50 CO 0.12 0.37 0.30 -0.22 0.00 0.00 0.00 175.10 175.67 1d5w s LEU 51 N 0.79 4.22 -0.31 3.92 2.96 0.24 0.02 118.68 130.53 1d5w s LEU 51 Ca -0.12 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.30 1d5w s LEU 51 Cb -0.15 -2.38 0.09 0.00 0.50 0.00 0.00 46.19 44.25 1d5w s LEU 51 CO 0.02 0.07 0.03 -0.69 -1.32 0.00 0.00 176.35 174.47 1d5w s VAL 52 N 0.61 1.75 0.00 1.68 1.01 -0.52 0.92 120.40 125.85 1d5w s VAL 52 Ca 0.16 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.31 1d5w s VAL 52 Cb -0.13 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.03 1d5w s VAL 52 CO 0.04 -0.49 0.00 1.07 0.00 0.00 0.00 175.10 175.73 1d5w n THR 53 N 4.50 0.00 0.07 3.92 5.66 -0.32 -2.03 114.28 126.09 1d5w n THR 53 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1d5w n THR 53 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 1d5w n THR 53 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1d5w n LEU 55 N 0.00 0.77 -4.58 1.09 7.94 -1.11 -1.50 117.00 119.61 1d5w n LEU 55 Ca 0.00 0.22 -0.42 0.00 -1.11 0.00 0.00 56.01 54.70 1d5w n LEU 55 Cb 0.00 -0.15 -0.01 0.00 0.53 0.00 0.00 43.42 43.80 1d5w n LEU 55 CO 0.00 -0.76 1.87 -0.60 -1.11 0.00 0.00 177.39 176.80 1d5w s ARG 56 N -1.96 3.90 -0.09 1.96 3.52 -1.26 -1.32 118.95 123.69 1d5w s ARG 56 Ca 0.00 -1.81 0.02 0.00 -0.13 0.00 0.00 55.73 53.81 1d5w s ARG 56 Cb 0.00 -5.50 -0.02 0.00 -1.56 0.00 0.00 34.95 27.87 1d5w s ARG 56 CO 0.00 -2.26 -0.16 -1.64 -0.81 0.00 0.00 175.30 170.42 1d5w s MET 57 N 4.40 2.92 0.29 5.12 -1.94 -1.26 -4.96 119.30 123.87 1d5w s MET 57 Ca 0.53 -0.74 -0.01 0.00 -1.71 0.00 0.00 55.69 53.75 1d5w s MET 57 Cb 0.03 -2.44 0.63 0.00 2.01 0.00 0.00 34.83 35.06 1d5w s MET 57 CO 0.04 0.38 1.49 -0.35 -0.01 0.00 0.00 175.02 176.57 1d5w n PRO 58 N 3.02 -0.08 -0.13 2.03 -0.04 -1.26 -3.63 135.00 134.92 1d5w n PRO 58 Ca -0.18 1.44 -0.22 0.00 -0.04 0.00 0.00 63.50 64.50 1d5w n PRO 58 Cb 0.52 -2.24 -0.11 0.00 -0.04 0.00 0.00 33.50 31.63 1d5w n PRO 58 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1d5w n ASP 59 N -5.45 1.98 -3.81 3.54 8.00 -1.26 -4.95 116.55 114.59 1d5w n ASP 59 Ca 0.20 0.04 -0.19 0.00 0.71 0.00 0.00 54.79 55.55 1d5w n ASP 59 Cb 0.65 -0.57 -0.17 0.00 -0.02 0.00 0.00 41.12 41.01 1d5w n ASP 59 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1d5w s MET 60 N -2.52 0.46 0.85 -1.24 1.75 -1.24 -5.13 119.30 112.24 1d5w s MET 60 Ca -0.36 0.06 -0.12 0.00 -1.25 0.00 0.00 55.69 54.03 1d5w s MET 60 Cb 0.11 -0.68 0.10 0.00 2.84 0.00 0.00 34.83 37.20 1d5w s MET 60 CO 0.57 -0.17 1.11 -1.54 -0.65 0.00 0.00 175.02 174.34 1d5w s SER 61 N 1.30 4.02 0.23 1.11 1.04 -1.26 -4.45 113.70 115.69 1d5w s SER 61 Ca -0.06 1.16 -0.08 0.00 0.48 0.00 0.00 55.95 57.45 1d5w s SER 61 Cb -0.13 -1.82 0.20 0.00 0.10 0.00 0.00 66.02 64.36 1d5w s SER 61 CO -0.02 -2.25 1.90 1.23 0.98 0.00 0.00 173.24 175.07 1d5w h GLY 62 N -1.29 1.22 1.48 7.32 0.00 -1.55 0.19 103.07 110.45 1d5w h GLY 62 Ca -0.49 -0.46 -0.22 0.00 0.00 0.00 0.00 47.33 46.15 1d5w h GLY 62 CO 0.60 0.45 -0.91 -0.39 0.00 0.00 0.00 176.54 176.30 1d5w h VAL 63 N 1.17 1.37 -0.66 4.60 -1.51 -1.93 -1.08 116.25 118.21 1d5w h VAL 63 Ca 0.31 -2.34 0.02 0.00 -1.23 0.00 0.00 66.70 63.46 1d5w h VAL 63 Cb -0.12 2.34 -0.04 0.00 -2.13 0.00 0.00 31.29 31.34 1d5w h VAL 63 CO -0.07 0.71 0.42 -0.33 -1.23 0.00 0.00 177.57 177.07 1d5w h GLU 64 N 0.28 0.82 -0.47 5.19 5.08 -1.82 0.17 114.58 123.83 1d5w h GLU 64 Ca -0.08 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1d5w h GLU 64 Cb 1.54 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1d5w h GLU 64 CO 0.16 0.54 0.27 1.25 -1.00 0.00 0.00 179.01 180.23 1d5w h LEU 65 N 0.84 0.59 -0.56 1.33 5.85 -0.48 -0.17 115.31 122.72 1d5w h LEU 65 Ca 0.26 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.91 1d5w h LEU 65 Cb -0.03 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1d5w h LEU 65 CO -0.08 0.50 0.35 -0.07 -0.34 0.00 0.00 178.44 178.80 1d5w h LEU 66 N 0.63 0.59 -0.20 2.25 3.38 -0.14 -0.02 115.31 121.80 1d5w h LEU 66 Ca 0.17 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1d5w h LEU 66 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1d5w h LEU 66 CO -0.03 0.42 0.11 0.03 0.09 0.00 0.00 178.44 179.06 1d5w h ARG 67 N 0.71 0.22 -0.94 1.13 3.08 -0.37 -0.72 114.38 117.50 1d5w h ARG 67 Ca 0.21 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.28 1d5w h ARG 67 Cb -0.03 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 1d5w h ARG 67 CO -0.07 0.15 0.62 -0.91 -1.07 0.00 0.00 179.97 178.68 1d5w h ASN 68 N 0.23 1.03 -0.59 7.04 -0.26 -0.57 -0.06 115.58 122.39 1d5w h ASN 68 Ca 0.08 -0.01 -0.10 0.00 -0.56 0.00 0.00 56.30 55.71 1d5w h ASN 68 Cb 0.01 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.01 1d5w h ASN 68 CO -0.04 0.71 -0.02 -0.07 -1.06 0.00 0.00 177.43 176.94 1d5w h LEU 69 N 1.19 1.04 -0.14 1.61 3.38 -0.63 -2.95 115.31 118.81 1d5w h LEU 69 Ca 0.37 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1d5w h LEU 69 Cb -0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1d5w h LEU 69 CO -0.11 1.11 0.00 1.23 0.09 0.00 0.00 178.44 180.76 1d5w h GLY 70 N 0.95 0.13 1.66 0.83 0.00 0.13 -2.01 103.07 104.76 1d5w h GLY 70 Ca 0.16 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.53 1d5w h GLY 70 CO 0.03 -0.02 0.15 -0.55 0.00 0.00 0.00 176.54 176.15 1d5w h ASP 71 N 0.05 0.00 0.07 0.19 3.45 -0.91 0.60 116.42 119.86 1d5w h ASP 71 Ca 0.06 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1d5w h ASP 71 Cb 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.84 1d5w h ASP 71 CO -0.10 0.00 -0.07 0.18 -1.57 0.00 0.00 179.24 177.67 1d5w n LEU 72 N -3.48 1.28 -3.67 1.55 4.77 -0.78 -4.92 117.00 111.75 1d5w n LEU 72 Ca -0.01 -0.40 -0.25 0.00 -0.03 0.00 0.00 56.01 55.33 1d5w n LEU 72 Cb 0.24 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 1d5w n LEU 72 CO 0.23 0.22 0.18 0.29 -1.33 0.00 0.00 177.39 176.99 1d5w n LYS 73 N -0.13 -7.08 -0.08 3.23 4.76 0.21 -4.93 118.16 114.13 1d5w n LYS 73 Ca 0.17 0.76 -0.18 0.00 -2.87 0.00 0.00 58.31 56.20 1d5w n LYS 73 Cb 0.34 -5.75 -0.12 0.00 -1.84 0.00 0.00 35.03 27.66 1d5w n LYS 73 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1d5w h ILE 74 N -2.43 1.39 -4.62 -0.18 2.04 -1.68 -3.51 117.51 108.53 1d5w h ILE 74 Ca -0.58 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.00 1d5w h ILE 74 Cb 1.37 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.32 1d5w h ILE 74 CO 0.58 0.48 -0.60 -0.46 0.00 0.00 0.00 178.15 178.15 1d5w n ASN 75 N -4.51 -6.46 -3.85 1.72 6.94 -1.26 -5.07 115.26 102.78 1d5w n ASN 75 Ca -0.20 0.82 -0.26 0.00 -0.02 0.00 0.00 54.58 54.92 1d5w n ASN 75 Cb 0.58 -4.24 -0.17 0.00 -2.36 0.00 0.00 39.78 33.59 1d5w n ASN 75 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1d5w s ILE 76 N -1.58 0.83 0.02 1.53 1.01 -1.26 -5.06 121.20 116.69 1d5w s ILE 76 Ca 0.07 -0.29 -0.37 0.00 0.00 0.00 0.00 60.65 60.06 1d5w s ILE 76 Cb -0.02 -0.97 -0.16 0.00 0.01 0.00 0.00 42.46 41.32 1d5w s ILE 76 CO 0.58 0.22 1.47 -2.65 0.00 0.00 0.00 174.94 174.56 1d5w n PRO 77 N 4.99 1.33 -4.47 2.79 -0.02 -1.26 -4.70 135.00 133.66 1d5w n PRO 77 Ca -0.11 0.48 -0.22 0.00 -2.02 0.00 0.00 63.50 61.63 1d5w n PRO 77 Cb 0.49 -2.16 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 1d5w n PRO 77 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1d5w s SER 78 N 1.25 2.03 -0.10 2.55 0.01 -1.26 -0.59 113.70 117.59 1d5w s SER 78 Ca 0.87 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.65 1d5w s SER 78 Cb -0.93 -0.15 0.02 0.00 0.21 0.00 0.00 66.02 65.17 1d5w s SER 78 CO 0.49 0.09 -0.13 -0.63 0.41 0.00 0.00 173.24 173.47 1d5w s ILE 79 N -0.84 1.32 -0.18 1.44 1.01 0.26 -0.58 121.20 123.63 1d5w s ILE 79 Ca 0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1d5w s ILE 79 Cb -0.08 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 1d5w s ILE 79 CO 0.02 0.40 0.20 -0.69 0.00 0.00 0.00 174.94 174.87 1d5w s VAL 80 N 1.00 5.37 0.07 2.92 1.01 -0.49 -1.17 120.40 129.11 1d5w s VAL 80 Ca -0.07 0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1d5w s VAL 80 Cb -0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1d5w s VAL 80 CO -0.01 0.43 -0.24 0.27 0.00 0.00 0.00 175.10 175.55 1d5w s ILE 81 N 0.31 2.00 0.13 2.22 -4.36 -0.56 -0.16 121.20 120.77 1d5w s ILE 81 Ca 0.12 -1.44 -0.25 0.00 -0.26 0.00 0.00 60.65 58.83 1d5w s ILE 81 Cb -0.12 -1.74 0.07 0.00 1.25 0.00 0.00 42.46 41.92 1d5w s ILE 81 CO 0.01 0.22 0.74 0.28 0.24 0.00 0.00 174.94 176.43 1d5w s THR 82 N -0.90 0.00 -0.02 8.37 -1.32 -0.51 -2.76 115.64 118.50 1d5w s THR 82 Ca 0.11 -0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.41 1d5w s THR 82 Cb -0.10 -1.24 0.05 0.00 -1.51 0.00 0.00 72.50 69.70 1d5w s THR 82 CO 0.03 0.00 1.00 0.61 -2.21 0.00 0.00 174.62 174.05 1d5w n GLY 83 N -0.36 2.92 2.84 6.08 0.00 -1.26 0.15 105.19 115.56 1d5w n GLY 83 Ca -0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 1d5w n GLY 83 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1d5w n HIS 84 N -0.62 1.21 -3.80 1.61 8.25 -1.26 -4.95 115.22 115.67 1d5w n HIS 84 Ca 0.03 -2.14 -0.22 0.00 -0.26 0.00 0.00 57.72 55.13 1d5w n HIS 84 Cb 0.34 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 1d5w n HIS 84 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1d5w s GLY 85 N -3.76 1.25 0.22 -1.41 0.00 -1.26 -4.95 107.32 97.41 1d5w s GLY 85 Ca 0.27 -1.14 -0.07 0.00 0.00 0.00 0.00 44.72 43.77 1d5w s GLY 85 CO -0.04 -1.14 0.31 0.51 0.00 0.00 0.00 173.10 172.75 1d5w s ASP 86 N -4.00 0.02 0.18 1.64 1.47 -1.26 -5.04 116.67 109.68 1d5w s ASP 86 Ca 0.36 -1.12 -0.15 0.00 1.18 0.00 0.00 52.55 52.82 1d5w s ASP 86 Cb -0.09 0.49 0.16 0.00 -0.34 0.00 0.00 42.92 43.13 1d5w s ASP 86 CO 0.31 -0.99 1.68 0.58 0.68 0.00 0.00 175.17 177.43 1d5w h VAL 87 N 2.44 0.61 -0.69 2.11 2.07 -1.99 0.12 116.25 120.91 1d5w h VAL 87 Ca -0.31 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1d5w h VAL 87 Cb 1.25 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1d5w h VAL 87 CO 0.44 0.01 0.43 -0.65 0.02 0.00 0.00 177.57 177.82 1d5w h PRO 88 N 0.08 0.80 -0.40 1.57 0.11 -1.98 0.20 132.00 132.38 1d5w h PRO 88 Ca 0.23 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.17 1d5w h PRO 88 Cb 0.35 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 1d5w h PRO 88 CO -0.42 0.53 -0.25 0.52 -0.21 0.00 0.00 178.00 178.17 1d5w h MET 89 N 0.83 0.87 -0.59 1.05 2.86 -1.82 0.79 114.93 118.91 1d5w h MET 89 Ca 0.28 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1d5w h MET 89 Cb 0.05 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1d5w h MET 89 CO -0.12 1.05 0.34 0.00 1.06 0.00 0.00 176.91 179.24 1d5w h ALA 90 N 0.80 1.49 -0.06 6.32 0.00 -0.29 0.17 119.26 127.69 1d5w h ALA 90 Ca 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1d5w h ALA 90 Cb 0.83 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1d5w h ALA 90 CO 0.07 0.44 -0.06 0.28 0.00 0.00 0.00 179.25 179.98 1d5w h VAL 91 N 0.81 1.38 -0.75 0.00 2.07 -0.19 -1.60 116.25 117.97 1d5w h VAL 91 Ca 0.21 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.58 1d5w h VAL 91 Cb -0.01 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 1d5w h VAL 91 CO -0.04 0.33 0.43 -0.33 0.02 0.00 0.00 177.57 177.99 1d5w h GLU 92 N -0.31 0.76 -0.01 1.57 5.08 -0.41 0.81 114.58 122.08 1d5w h GLU 92 Ca 0.01 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1d5w h GLU 92 Cb 0.57 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1d5w h GLU 92 CO 0.01 0.50 -0.12 0.00 -1.00 0.00 0.00 179.01 178.41 1d5w h ALA 93 N 1.38 -0.12 -0.08 3.43 0.00 -0.61 -1.12 119.26 122.14 1d5w h ALA 93 Ca 0.34 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1d5w h ALA 93 Cb 0.21 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1d5w h ALA 93 CO -0.19 -0.61 -0.32 0.52 0.00 0.00 0.00 179.25 178.65 1d5w h MET 94 N -0.19 0.14 -0.45 0.00 2.86 -0.67 -2.50 114.93 114.11 1d5w h MET 94 Ca 0.05 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1d5w h MET 94 Cb 0.25 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1d5w h MET 94 CO -0.12 0.45 -0.15 0.87 1.06 0.00 0.00 176.91 179.02 1d5w h LYS 95 N 0.13 0.84 0.00 1.72 1.57 -0.41 -2.21 116.57 118.20 1d5w h LYS 95 Ca 0.02 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1d5w h LYS 95 Cb 0.64 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1d5w h LYS 95 CO 0.05 0.93 0.00 0.00 -0.57 0.00 0.00 179.45 179.86 1d5w n ALA 96 N -2.49 1.84 0.00 3.86 0.00 -0.46 -4.84 120.51 118.41 1d5w n ALA 96 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1d5w n ALA 96 Cb 0.40 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1d5w n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d5w n GLY 97 N 0.01 0.85 3.67 0.00 0.00 -0.83 -4.77 105.19 104.13 1d5w n GLY 97 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1d5w n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d5w n ALA 98 N -1.06 1.09 0.16 4.61 0.00 -0.98 -4.73 120.51 119.60 1d5w n ALA 98 Ca 0.00 0.40 0.01 0.00 0.00 0.00 0.00 53.44 53.85 1d5w n ALA 98 Cb 0.00 -2.25 0.25 0.00 0.00 0.00 0.00 19.45 17.45 1d5w n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1d5w h VAL 99 N 2.86 1.28 -2.47 0.00 2.07 -1.20 -3.44 116.25 115.36 1d5w h VAL 99 Ca -0.45 -1.80 0.09 0.00 0.82 0.00 0.00 66.70 65.36 1d5w h VAL 99 Cb 1.28 1.99 -0.13 0.00 -1.52 0.00 0.00 31.29 32.91 1d5w h VAL 99 CO 0.71 0.50 0.42 -0.62 0.02 0.00 0.00 177.57 178.61 1d5w s ASP 100 N -6.77 -0.38 -0.20 0.57 3.68 -1.25 -5.06 116.67 107.25 1d5w s ASP 100 Ca -0.01 -0.07 -0.04 0.00 2.13 0.00 0.00 52.55 54.56 1d5w s ASP 100 Cb 0.13 0.45 0.07 0.00 -1.45 0.00 0.00 42.92 42.12 1d5w s ASP 100 CO 0.74 -0.75 0.07 0.12 0.13 0.00 0.00 175.17 175.47 1d5w s PHE 101 N -3.30 0.68 -0.09 -5.34 5.36 -1.26 -1.40 117.98 112.63 1d5w s PHE 101 Ca 0.05 -0.72 0.03 0.00 -0.96 0.00 0.00 56.93 55.34 1d5w s PHE 101 Cb -0.01 -0.93 -0.01 0.00 -0.34 0.00 0.00 43.02 41.73 1d5w s PHE 101 CO -0.08 -0.62 -0.21 0.42 -1.46 0.00 0.00 175.22 173.27 1d5w s ILE 102 N 1.97 2.36 0.20 3.12 1.01 0.77 -4.99 121.20 125.65 1d5w s ILE 102 Ca 0.02 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.55 1d5w s ILE 102 Cb -0.17 -1.92 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 1d5w s ILE 102 CO -0.13 0.56 0.70 -1.61 0.00 0.00 0.00 174.94 174.46 1d5w s GLU 103 N 0.16 4.26 0.17 2.79 2.02 -1.26 -1.42 118.70 125.42 1d5w s GLU 103 Ca -0.12 0.86 -0.08 0.00 0.02 0.00 0.00 54.97 55.65 1d5w s GLU 103 Cb -0.16 -2.95 -0.06 0.00 0.10 0.00 0.00 34.13 31.06 1d5w s GLU 103 CO 0.06 0.44 0.46 0.15 0.02 0.00 0.00 175.26 176.39 1d5w s LYS 104 N -1.82 3.73 0.72 1.61 1.02 0.39 -4.22 119.74 121.16 1d5w s LYS 104 Ca 0.41 0.13 -0.11 0.00 0.02 0.00 0.00 55.97 56.41 1d5w s LYS 104 Cb -0.17 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1d5w s LYS 104 CO 0.21 0.42 1.10 -1.25 -0.92 0.00 0.00 175.35 174.92 1d5w s PRO 105 N -2.58 2.70 0.08 -1.68 0.04 -1.26 -4.67 135.00 127.62 1d5w s PRO 105 Ca 0.42 0.38 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 1d5w s PRO 105 Cb -0.12 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.45 1d5w s PRO 105 CO 0.22 -1.12 0.48 -0.59 0.04 0.00 0.00 177.00 176.02 1d5w s PHE 106 N -3.39 -0.35 0.46 0.56 -0.12 -1.26 -5.16 117.98 108.73 1d5w s PHE 106 Ca 0.59 0.26 -0.21 0.00 -0.05 0.00 0.00 56.93 57.52 1d5w s PHE 106 Cb -0.11 0.32 -0.09 0.00 -0.63 0.00 0.00 43.02 42.51 1d5w s PHE 106 CO 0.51 -0.66 1.03 -1.21 -0.05 0.00 0.00 175.22 174.83 1d5w s GLU 107 N -2.91 3.92 0.25 1.99 0.41 -1.26 -4.94 118.70 116.16 1d5w s GLU 107 Ca -0.03 1.35 -0.04 0.00 -0.41 0.00 0.00 54.97 55.84 1d5w s GLU 107 Cb -0.00 -2.17 0.47 0.00 -1.78 0.00 0.00 34.13 30.65 1d5w s GLU 107 CO -0.05 -0.33 1.71 -0.44 -0.49 0.00 0.00 175.26 175.66 1d5w h ASP 108 N 1.75 0.20 -1.01 -0.19 3.32 -2.01 0.35 116.42 118.84 1d5w h ASP 108 Ca -0.49 0.12 0.23 0.00 0.02 0.00 0.00 57.03 56.91 1d5w h ASP 108 Cb 1.21 0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.77 1d5w h ASP 108 CO 0.60 0.05 0.60 0.74 -1.72 0.00 0.00 179.24 179.52 1d5w h THR 109 N 0.38 0.57 -0.11 0.35 2.02 -1.99 -0.88 112.91 113.26 1d5w h THR 109 Ca 0.42 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1d5w h THR 109 Cb 0.68 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1d5w h THR 109 CO -0.44 0.11 0.02 0.58 0.37 0.00 0.00 175.52 176.16 1d5w h VAL 110 N 0.61 1.20 -0.20 3.16 2.07 -1.29 -1.37 116.25 120.44 1d5w h VAL 110 Ca 0.63 -0.63 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1d5w h VAL 110 Cb 1.17 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1d5w h VAL 110 CO -0.44 0.18 -0.57 -0.29 0.02 0.00 0.00 177.57 176.47 1d5w h ILE 111 N -0.03 1.31 -0.61 4.57 6.09 -1.39 -2.46 117.51 124.99 1d5w h ILE 111 Ca 0.03 -1.81 0.03 0.00 -1.37 0.00 0.00 64.86 61.74 1d5w h ILE 111 Cb 0.26 1.77 -0.04 0.00 0.47 0.00 0.00 36.82 39.29 1d5w h ILE 111 CO 0.00 0.57 0.37 0.40 -3.07 0.00 0.00 178.15 176.42 1d5w h ILE 112 N 0.47 1.07 -0.45 2.19 2.04 -1.16 -0.37 117.51 121.31 1d5w h ILE 112 Ca 0.00 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.49 1d5w h ILE 112 Cb 1.13 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1d5w h ILE 112 CO 0.11 0.13 -0.23 -0.33 0.00 0.00 0.00 178.15 177.84 1d5w h GLU 113 N 0.73 0.91 -0.83 2.37 5.08 -1.15 -0.85 114.58 120.85 1d5w h GLU 113 Ca 0.25 -0.39 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1d5w h GLU 113 Cb 0.03 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1d5w h GLU 113 CO -0.10 1.04 0.40 0.00 -1.00 0.00 0.00 179.01 179.34 1d5w h ALA 114 N 0.95 1.07 -0.07 3.43 0.00 -1.07 0.63 119.26 124.20 1d5w h ALA 114 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1d5w h ALA 114 Cb 0.78 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1d5w h ALA 114 CO 0.06 0.64 -0.00 0.82 0.00 0.00 0.00 179.25 180.77 1d5w h ILE 115 N 1.18 1.25 -0.67 0.00 2.04 -0.77 0.16 117.51 120.70 1d5w h ILE 115 Ca 0.29 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.42 1d5w h ILE 115 Cb 0.12 1.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1d5w h ILE 115 CO -0.04 0.22 0.37 -0.33 0.00 0.00 0.00 178.15 178.38 1d5w h GLU 116 N -0.16 0.67 0.03 2.37 5.08 -0.98 0.26 114.58 121.85 1d5w h GLU 116 Ca 0.02 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1d5w h GLU 116 Cb 0.34 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1d5w h GLU 116 CO 0.00 0.44 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.26 1d5w h ARG 117 N 0.69 -0.19 -0.67 2.33 2.43 -0.67 -2.52 114.38 115.78 1d5w h ARG 117 Ca 0.30 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 1d5w h ARG 117 Cb 0.18 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1d5w h ARG 117 CO -0.18 -0.12 0.33 0.00 -1.51 0.00 0.00 179.97 178.48 1d5w h ALA 118 N 0.75 1.32 0.00 2.80 0.00 0.04 -2.10 119.26 122.06 1d5w h ALA 118 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1d5w h ALA 118 Cb 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1d5w h ALA 118 CO -0.09 0.53 0.00 0.66 0.00 0.00 0.00 179.25 180.36 1d5w h SER 119 N 0.94 0.00 0.84 0.00 4.64 -0.06 -0.71 113.55 119.20 1d5w h SER 119 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1d5w h SER 119 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1d5w h SER 119 CO -0.03 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 175.60 1d5w h GLU 120 N 0.00 0.00 -0.12 4.77 5.08 -1.27 -2.76 114.58 120.29 1d5w h GLU 120 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1d5w h GLU 120 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1d5w h GLU 120 CO 0.00 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 1d5w n HIS 121 N -2.66 0.15 1.88 4.33 8.25 -0.27 -5.16 115.22 121.74 1d5w n HIS 121 Ca 0.01 -0.07 0.16 0.00 -0.26 0.00 0.00 57.72 57.55 1d5w n HIS 121 Cb 0.26 0.00 0.85 0.00 1.12 0.00 0.00 29.99 32.22 1d5w n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26