#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vyh s ASN 7 N 0.00 6.89 0.28 -3.46 3.04 -1.26 -4.96 114.94 115.46 1vyh s ASN 7 Ca 0.00 1.08 0.01 0.00 0.04 0.00 0.00 52.86 53.99 1vyh s ASN 7 Cb 0.00 -2.54 0.64 0.00 -1.54 0.00 0.00 41.25 37.81 1vyh s ASN 7 CO 0.00 -0.92 1.69 1.55 -3.04 0.00 0.00 177.10 176.38 1vyh h PRO 8 N 8.30 0.34 0.00 0.43 0.13 -1.97 -0.53 132.00 138.71 1vyh h PRO 8 Ca -0.22 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1vyh h PRO 8 Cb 1.07 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1vyh h PRO 8 CO 1.03 0.23 0.00 0.00 -0.23 0.00 0.00 178.00 179.03 1vyh n ALA 9 N -2.57 1.19 -0.06 -0.56 0.00 -1.26 -2.14 120.51 115.11 1vyh n ALA 9 Ca 0.20 0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.77 1vyh n ALA 9 Cb 0.59 -1.23 0.09 0.00 0.00 0.00 0.00 19.45 18.91 1vyh n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vyh n ALA 10 N -1.67 2.17 -2.49 0.00 0.00 -0.21 -3.47 120.51 114.85 1vyh n ALA 10 Ca 0.00 -1.02 -0.43 0.00 0.00 0.00 0.00 53.44 51.99 1vyh n ALA 10 Cb 0.07 -0.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.14 1vyh n ALA 10 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vyh s ILE 11 N -0.95 5.08 0.55 0.00 1.01 -0.91 -5.03 121.20 120.95 1vyh s ILE 11 Ca 0.15 -0.31 -0.20 0.00 0.00 0.00 0.00 60.65 60.29 1vyh s ILE 11 Cb 0.08 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 38.45 1vyh s ILE 11 CO 0.11 -0.42 0.98 -0.81 0.00 0.00 0.00 174.94 174.79 1vyh n PRO 12 N 5.62 1.05 -3.41 2.79 -0.04 -1.26 -4.71 135.00 135.04 1vyh n PRO 12 Ca -0.07 0.40 0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1vyh n PRO 12 Cb 0.47 -2.14 -0.04 0.00 -0.04 0.00 0.00 33.50 31.75 1vyh n PRO 12 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1vyh s HIS 13 N -1.45 -0.58 0.12 0.54 5.04 -1.09 -4.90 115.29 112.98 1vyh s HIS 13 Ca 0.72 1.02 -0.30 0.00 -1.54 0.00 0.00 55.06 54.95 1vyh s HIS 13 Cb -0.45 0.35 -0.06 0.00 0.04 0.00 0.00 32.58 32.45 1vyh s HIS 13 CO 0.50 -0.29 0.98 0.00 -2.34 0.00 0.00 174.74 173.60 1vyh s ALA 14 N 2.24 3.27 -0.29 1.58 0.00 -1.26 -3.83 121.76 123.47 1vyh s ALA 14 Ca -0.03 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1vyh s ALA 14 Cb -0.05 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 1vyh s ALA 14 CO -0.17 -0.05 1.66 0.00 0.00 0.00 0.00 175.76 177.20 1vyh s ALA 15 N -0.05 3.08 0.14 0.00 0.00 -1.26 -4.97 121.76 118.70 1vyh s ALA 15 Ca 0.47 0.30 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 1vyh s ALA 15 Cb -0.24 -3.93 -0.08 0.00 0.00 0.00 0.00 23.12 18.87 1vyh s ALA 15 CO 0.31 -2.28 1.37 -1.21 0.00 0.00 0.00 175.76 173.95 1vyh s GLU 16 N 5.10 4.33 -0.18 0.00 8.01 -1.26 -4.88 118.70 129.82 1vyh s GLU 16 Ca 0.73 2.08 -0.29 0.00 0.01 0.00 0.00 54.97 57.50 1vyh s GLU 16 Cb -0.22 -3.23 -0.01 0.00 -4.31 0.00 0.00 34.13 26.36 1vyh s GLU 16 CO 0.31 -0.39 1.19 0.34 0.01 0.00 0.00 175.26 176.72 1vyh s ASP 17 N 0.87 7.00 0.00 -0.19 -1.08 -1.26 -4.88 116.67 117.13 1vyh s ASP 17 Ca 0.62 1.60 0.13 0.00 -0.52 0.00 0.00 52.55 54.39 1vyh s ASP 17 Cb -0.37 -2.54 0.05 0.00 -1.46 0.00 0.00 42.92 38.60 1vyh s ASP 17 CO 0.33 -0.72 0.83 2.30 0.52 0.00 0.00 175.17 178.43 1vyh n ILE 18 N 5.29 0.00 -0.08 4.11 -6.64 -1.26 -4.66 119.36 116.12 1vyh n ILE 18 Ca 0.13 -0.43 -0.18 0.00 -1.77 0.00 0.00 62.75 60.51 1vyh n ILE 18 Cb 0.45 1.22 -0.13 0.00 -1.44 0.00 0.00 39.64 39.74 1vyh n ILE 18 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1vyh n GLN 19 N 0.26 0.69 0.00 6.28 6.02 -1.26 -5.04 117.38 124.32 1vyh n GLN 19 Ca 0.07 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 1vyh n GLN 19 Cb 0.31 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1vyh n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vyh n GLY 20 N 2.07 1.23 0.87 1.08 0.00 -1.26 -4.98 105.19 104.20 1vyh n GLY 20 Ca -0.38 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1vyh n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vyh n ASP 21 N 0.00 2.54 -4.01 1.61 5.68 -1.26 -4.96 116.55 116.15 1vyh n ASP 21 Ca 0.00 -1.98 -0.37 0.00 -0.50 0.00 0.00 54.79 51.95 1vyh n ASP 21 Cb 0.00 -0.30 0.01 0.00 -1.14 0.00 0.00 41.12 39.69 1vyh n ASP 21 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1vyh n ASP 22 N 0.89 -3.00 0.06 -1.12 4.64 -1.26 -4.87 116.55 111.89 1vyh n ASP 22 Ca 0.16 -1.02 -0.13 0.00 -1.38 0.00 0.00 54.79 52.42 1vyh n ASP 22 Cb 0.41 -1.22 -0.14 0.00 -1.04 0.00 0.00 41.12 39.13 1vyh n ASP 22 CO 0.00 0.00 0.00 0.03 -0.82 0.00 0.00 177.20 176.41 1vyh h ARG 23 N -1.37 0.17 0.06 -0.67 3.08 -1.99 -3.10 114.38 110.55 1vyh h ARG 23 Ca -0.56 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.21 1vyh h ARG 23 Cb 1.09 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1vyh h ARG 23 CO 0.41 1.04 -0.03 2.35 -1.07 0.00 0.00 179.97 182.67 1vyh h TRP 24 N 0.05 -0.07 -0.27 3.04 7.01 -1.92 -2.46 115.95 121.32 1vyh h TRP 24 Ca -0.17 -0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.77 1vyh h TRP 24 Cb 1.95 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 29.02 1vyh h TRP 24 CO 0.04 0.10 -0.11 0.52 -2.79 0.00 0.00 178.44 176.21 1vyh h MET 25 N -0.23 0.45 -0.39 2.65 2.86 -1.90 -2.09 114.93 116.28 1vyh h MET 25 Ca -0.01 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1vyh h MET 25 Cb 0.21 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1vyh h MET 25 CO 0.01 0.56 0.06 0.77 1.06 0.00 0.00 176.91 179.38 1vyh h SER 26 N 0.42 -0.02 -0.29 1.22 0.02 -1.40 -0.59 113.55 112.90 1vyh h SER 26 Ca 0.08 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1vyh h SER 26 Cb 0.45 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1vyh h SER 26 CO 0.02 0.02 -0.04 1.56 -1.14 0.00 0.00 176.83 177.26 1vyh h GLN 27 N 0.18 0.54 -0.69 3.45 4.20 -1.04 -2.10 115.11 119.65 1vyh h GLN 27 Ca 0.19 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 1vyh h GLN 27 Cb 0.23 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 1vyh h GLN 27 CO -0.26 0.72 0.36 1.25 -0.67 0.00 0.00 178.83 180.23 1vyh h HIS 28 N 0.31 0.97 -0.33 2.96 2.76 -0.93 -1.80 115.15 119.09 1vyh h HIS 28 Ca 0.08 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1vyh h HIS 28 Cb 0.50 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1vyh h HIS 28 CO 0.05 0.70 0.21 -0.91 -1.30 0.00 0.00 177.93 176.68 1vyh h ASN 29 N 0.95 0.36 -0.83 3.26 2.35 -1.04 -1.27 115.58 119.35 1vyh h ASN 29 Ca 0.24 -0.01 0.19 0.00 -0.55 0.00 0.00 56.30 56.18 1vyh h ASN 29 Cb 0.07 -0.09 -0.12 0.00 0.05 0.00 0.00 38.32 38.24 1vyh h ASN 29 CO -0.04 0.26 0.31 -0.09 -1.65 0.00 0.00 177.43 176.22 1vyh h ARG 30 N 0.43 0.35 -0.10 0.81 2.43 -0.70 0.31 114.38 117.91 1vyh h ARG 30 Ca 0.12 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1vyh h ARG 30 Cb -0.04 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1vyh h ARG 30 CO -0.03 0.23 0.03 0.74 -1.51 0.00 0.00 179.97 179.43 1vyh h PHE 31 N 0.36 0.16 -0.60 2.20 0.05 -0.74 0.15 116.94 118.53 1vyh h PHE 31 Ca 0.50 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 62.27 1vyh h PHE 31 Cb 0.89 -0.05 -0.03 0.00 2.00 0.00 0.00 35.95 38.77 1vyh h PHE 31 CO -0.19 0.32 0.39 0.28 -0.18 0.00 0.00 178.31 178.93 1vyh h VAL 32 N -0.04 1.16 -0.49 -0.55 2.07 -0.06 0.44 116.25 118.78 1vyh h VAL 32 Ca 0.03 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1vyh h VAL 32 Cb 0.23 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1vyh h VAL 32 CO -0.00 0.16 0.23 0.25 0.02 0.00 0.00 177.57 178.22 1vyh h LEU 33 N 0.81 0.30 -1.54 2.57 5.85 -0.29 -0.10 115.31 122.92 1vyh h LEU 33 Ca 0.22 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.01 1vyh h LEU 33 Cb -0.07 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1vyh h LEU 33 CO -0.05 0.21 0.35 0.44 -0.34 0.00 0.00 178.44 179.06 1vyh h ASP 34 N 0.44 0.52 0.88 1.25 5.19 0.90 -1.92 116.42 123.68 1vyh h ASP 34 Ca 0.22 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 1vyh h ASP 34 Cb 0.16 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 1vyh h ASP 34 CO -0.17 0.36 -0.10 0.00 -3.12 0.00 0.00 179.24 176.21 1vyh h LYS 36 N 0.00 0.30 0.00 0.00 3.64 -0.54 -3.37 116.57 116.61 1vyh h LYS 36 Ca -0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1vyh h LYS 36 Cb 0.56 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1vyh h LYS 36 CO 0.01 1.08 0.00 -0.40 -2.27 0.00 0.00 179.45 177.87 1vyh n ASP 37 N -3.66 0.07 -4.63 4.20 5.68 -1.22 -5.03 116.55 111.96 1vyh n ASP 37 Ca -0.06 -0.37 -0.25 0.00 -0.50 0.00 0.00 54.79 53.62 1vyh n ASP 37 Cb 0.87 0.19 0.11 0.00 -1.14 0.00 0.00 41.12 41.15 1vyh n ASP 37 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1vyh s LYS 38 N -0.19 1.61 -0.49 0.11 -0.14 -0.85 -5.09 119.74 114.70 1vyh s LYS 38 Ca 0.00 -0.81 0.06 0.00 -1.36 0.00 0.00 55.97 53.86 1vyh s LYS 38 Cb 0.00 -2.22 0.18 0.00 -1.68 0.00 0.00 37.83 34.11 1vyh s LYS 38 CO 0.00 -1.56 0.63 -1.83 -0.76 0.00 0.00 175.35 171.84 1vyh s GLU 39 N -5.28 1.02 0.59 1.68 -1.05 -1.26 -4.78 118.70 109.61 1vyh s GLU 39 Ca 0.66 -1.26 -0.08 0.00 -0.15 0.00 0.00 54.97 54.14 1vyh s GLU 39 Cb -0.06 -0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.26 1vyh s GLU 39 CO 0.46 -1.33 0.93 -1.25 0.95 0.00 0.00 175.26 175.01 1vyh s PRO 40 N 0.74 3.21 -0.10 -4.83 0.05 -1.26 -5.00 135.00 127.80 1vyh s PRO 40 Ca 0.30 0.27 0.04 0.00 0.05 0.00 0.00 61.00 61.66 1vyh s PRO 40 Cb 0.00 -2.22 -0.24 0.00 0.05 0.00 0.00 34.50 32.09 1vyh s PRO 40 CO -0.08 -0.60 0.43 -0.25 0.05 0.00 0.00 177.00 176.55 1vyh n ASP 41 N -2.60 1.44 -4.16 6.66 9.92 0.07 -3.94 116.55 123.94 1vyh n ASP 41 Ca 0.04 0.26 -0.26 0.00 -0.53 0.00 0.00 54.79 54.30 1vyh n ASP 41 Cb 0.56 -0.36 -0.16 0.00 -0.64 0.00 0.00 41.12 40.52 1vyh n ASP 41 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1vyh s VAL 42 N -2.57 1.44 -0.13 2.53 1.01 -0.99 0.17 120.40 121.86 1vyh s VAL 42 Ca -0.15 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1vyh s VAL 42 Cb 0.07 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.27 1vyh s VAL 42 CO 0.79 0.41 -0.03 -0.22 0.00 0.00 0.00 175.10 176.04 1vyh s LEU 43 N -0.24 1.21 -0.27 3.92 0.20 -0.16 -0.84 118.68 122.51 1vyh s LEU 43 Ca 0.03 -0.46 -0.11 0.00 0.69 0.00 0.00 54.13 54.27 1vyh s LEU 43 Cb -0.09 -0.74 -0.05 0.00 -0.43 0.00 0.00 46.19 44.88 1vyh s LEU 43 CO 0.00 -0.19 0.19 -0.36 -0.29 0.00 0.00 176.35 175.71 1vyh s PHE 44 N 1.76 3.25 0.17 5.38 0.40 0.11 -0.16 117.98 128.89 1vyh s PHE 44 Ca 0.03 0.16 0.11 0.00 -0.60 0.00 0.00 56.93 56.62 1vyh s PHE 44 Cb -0.14 -2.36 -0.04 0.00 0.51 0.00 0.00 43.02 40.99 1vyh s PHE 44 CO -0.07 -0.10 -0.23 0.14 0.70 0.00 0.00 175.22 175.66 1vyh s VAL 45 N 1.58 2.47 -5.00 -0.44 -7.23 -0.07 0.53 120.40 112.24 1vyh s VAL 45 Ca 0.07 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 1vyh s VAL 45 Cb -0.15 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1vyh s VAL 45 CO 0.09 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 1vyh n GLY 46 N 0.40 0.36 0.00 2.32 0.00 -1.25 -1.67 105.19 105.35 1vyh n GLY 46 Ca -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1vyh n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vyh n ASP 47 N 0.00 0.00 -0.33 1.61 3.85 -0.76 -1.65 116.55 119.28 1vyh n ASP 47 Ca 0.00 -0.01 0.16 0.00 -0.71 0.00 0.00 54.79 54.23 1vyh n ASP 47 Cb 0.00 0.00 0.40 0.00 -1.35 0.00 0.00 41.12 40.17 1vyh n ASP 47 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.20 176.96 1vyh h SER 48 N 0.00 0.65 -0.75 -1.12 4.64 -1.83 0.01 113.55 115.14 1vyh h SER 48 Ca 0.00 0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.45 1vyh h SER 48 Cb 0.00 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.02 1vyh h SER 48 CO 0.00 0.21 0.50 0.24 -0.87 0.00 0.00 176.83 176.91 1vyh h MET 49 N 0.62 0.86 0.02 4.77 2.86 -1.91 0.36 114.93 122.51 1vyh h MET 49 Ca 0.57 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 58.15 1vyh h MET 49 Cb 1.08 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1vyh h MET 49 CO -0.33 0.57 -0.01 0.28 1.06 0.00 0.00 176.91 178.48 1vyh h VAL 50 N 0.89 1.40 -0.49 -2.22 2.07 -1.31 -3.24 116.25 113.34 1vyh h VAL 50 Ca 0.31 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.50 1vyh h VAL 50 Cb 0.10 2.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.14 1vyh h VAL 50 CO -0.09 0.35 0.23 -0.61 0.02 0.00 0.00 177.57 177.47 1vyh h GLN 51 N -0.63 0.44 0.00 1.57 5.75 -0.40 -2.63 115.11 119.21 1vyh h GLN 51 Ca -0.00 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 1vyh h GLN 51 Cb 0.59 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 1vyh h GLN 51 CO 0.00 0.29 -0.34 -0.07 -2.65 0.00 0.00 178.83 176.07 1vyh h LEU 52 N 0.46 0.00 -0.96 -2.39 -0.00 -0.45 -3.07 115.31 108.89 1vyh h LEU 52 Ca 0.22 0.00 0.10 0.00 -0.00 0.00 0.00 57.88 58.20 1vyh h LEU 52 Cb 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.74 1vyh h LEU 52 CO -0.17 0.34 0.60 -0.03 -0.00 0.00 0.00 178.44 179.18 1vyh h MET 53 N 0.00 0.98 0.00 1.13 4.05 -1.49 -1.65 114.93 117.94 1vyh h MET 53 Ca -0.00 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1vyh h MET 53 Cb 0.76 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1vyh h MET 53 CO 0.04 0.65 -0.05 0.37 0.23 0.00 0.00 176.91 178.15 1vyh h GLN 54 N 1.01 0.00 -0.00 0.39 4.15 -1.65 -2.70 115.11 116.31 1vyh h GLN 54 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.88 1vyh h GLN 54 Cb 0.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1vyh h GLN 54 CO -0.23 0.05 -0.06 1.04 -1.93 0.00 0.00 178.83 177.69 1vyh n GLN 55 N -3.92 0.54 -3.96 1.69 1.13 -0.62 -4.75 117.38 107.49 1vyh n GLN 55 Ca -0.03 -0.11 -0.32 0.00 -1.94 0.00 0.00 57.00 54.60 1vyh n GLN 55 Cb 0.14 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.94 1vyh n GLN 55 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1vyh s TYR 56 N -2.53 3.46 0.47 1.08 1.51 -1.02 -4.99 117.35 115.33 1vyh s TYR 56 Ca 0.28 0.27 0.28 0.00 -1.01 0.00 0.00 57.07 56.90 1vyh s TYR 56 Cb 0.20 -1.77 1.34 0.00 -0.11 0.00 0.00 41.96 41.62 1vyh s TYR 56 CO 0.47 0.60 1.77 0.93 -1.11 0.00 0.00 175.55 178.22 1vyh h GLU 57 N 3.64 0.18 0.00 -0.62 4.39 -1.87 0.17 114.58 120.47 1vyh h GLU 57 Ca -0.48 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1vyh h GLU 57 Cb 1.18 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1vyh h GLU 57 CO 0.69 0.12 0.00 -0.84 -1.16 0.00 0.00 179.01 177.82 1vyh h ILE 58 N 0.19 0.00 -0.06 3.13 3.07 -1.94 -2.82 117.51 119.08 1vyh h ILE 58 Ca 0.60 -0.28 -0.03 0.00 1.55 0.00 0.00 64.86 66.71 1vyh h ILE 58 Cb 1.96 1.06 -0.00 0.00 -0.27 0.00 0.00 36.82 39.57 1vyh h ILE 58 CO -0.18 0.00 -0.06 -0.25 -1.05 0.00 0.00 178.15 176.61 1vyh h TRP 59 N 0.00 0.18 0.00 0.16 2.91 -0.85 -2.33 115.95 116.01 1vyh h TRP 59 Ca 0.00 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 59.97 1vyh h TRP 59 Cb 0.40 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.01 1vyh h TRP 59 CO 0.00 0.60 0.00 2.89 -1.03 0.00 0.00 178.44 180.90 1vyh n ARG 60 N -4.73 0.05 -0.03 2.65 1.85 -1.08 -1.49 116.66 113.88 1vyh n ARG 60 Ca -0.07 0.19 -0.12 0.00 -1.00 0.00 0.00 57.85 56.84 1vyh n ARG 60 Cb 0.30 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 30.07 1vyh n ARG 60 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1vyh n GLU 61 N -1.46 0.67 -0.03 2.89 2.13 -1.14 -4.52 120.64 119.18 1vyh n GLU 61 Ca 0.05 0.24 -0.05 0.00 0.66 0.00 0.00 57.16 58.06 1vyh n GLU 61 Cb 0.19 -1.72 -0.02 0.00 0.27 0.00 0.00 31.44 30.16 1vyh n GLU 61 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1vyh n LEU 62 N -3.11 1.39 -0.03 4.31 4.32 -0.89 -4.87 117.00 118.12 1vyh n LEU 62 Ca -0.24 0.03 0.02 0.00 -0.02 0.00 0.00 56.01 55.80 1vyh n LEU 62 Cb 1.06 -0.17 -0.11 0.00 -1.62 0.00 0.00 43.42 42.59 1vyh n LEU 62 CO 0.43 0.30 -0.76 0.49 -1.22 0.00 0.00 177.39 176.63 1vyh n PHE 63 N -3.02 0.00 -0.09 -1.77 3.72 -0.84 -4.45 117.46 111.02 1vyh n PHE 63 Ca -0.10 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.23 1vyh n PHE 63 Cb 0.58 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1vyh n PHE 63 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1vyh h SER 64 N 0.00 -0.65 0.20 4.37 0.02 -1.50 -0.19 113.55 115.81 1vyh h SER 64 Ca -0.12 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1vyh h SER 64 Cb 1.04 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.93 1vyh h SER 64 CO 0.01 -0.23 0.00 -2.65 -1.14 0.00 0.00 176.83 172.82 1vyh n PRO 65 N -5.36 0.25 0.00 3.45 -0.02 -1.26 -2.10 135.00 129.96 1vyh n PRO 65 Ca 0.01 0.12 0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1vyh n PRO 65 Cb 0.28 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.68 1vyh n PRO 65 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1vyh n LEU 66 N -1.23 1.09 -2.80 2.45 4.32 -0.08 -4.95 117.00 115.80 1vyh n LEU 66 Ca 0.07 -0.30 -0.01 0.00 -0.02 0.00 0.00 56.01 55.76 1vyh n LEU 66 Cb 0.10 -0.10 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1vyh n LEU 66 CO 0.10 0.20 0.26 1.41 -1.22 0.00 0.00 177.39 178.14 1vyh n HIS 67 N -0.48 -2.60 -5.03 -1.77 8.25 -0.89 -4.25 115.22 108.45 1vyh n HIS 67 Ca 0.14 1.00 -0.32 0.00 -0.26 0.00 0.00 57.72 58.28 1vyh n HIS 67 Cb 0.34 -3.72 -0.14 0.00 1.12 0.00 0.00 29.99 27.59 1vyh n HIS 67 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vyh s ALA 68 N -2.91 2.47 0.12 -1.41 0.00 -1.24 -0.75 121.76 118.03 1vyh s ALA 68 Ca 0.03 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1vyh s ALA 68 Cb -0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1vyh s ALA 68 CO 0.64 0.49 -0.06 -0.51 0.00 0.00 0.00 175.76 176.32 1vyh s LEU 69 N -0.49 3.17 -0.28 0.00 1.43 -0.02 -4.92 118.68 117.57 1vyh s LEU 69 Ca 0.06 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1vyh s LEU 69 Cb -0.12 -1.92 0.08 0.00 0.03 0.00 0.00 46.19 44.26 1vyh s LEU 69 CO 0.01 0.16 -0.02 0.21 0.23 0.00 0.00 176.35 176.94 1vyh s ASN 70 N -2.38 4.33 -0.57 2.29 3.84 -1.26 -0.71 114.94 120.47 1vyh s ASN 70 Ca 0.23 -1.61 0.00 0.00 0.21 0.00 0.00 52.86 51.70 1vyh s ASN 70 Cb -0.11 -1.39 0.46 0.00 -0.55 0.00 0.00 41.25 39.66 1vyh s ASN 70 CO 0.16 -0.29 1.84 0.49 -2.79 0.00 0.00 177.10 176.50 1vyh n PHE 71 N 4.49 3.08 -3.06 0.43 0.99 0.19 -4.99 117.46 118.59 1vyh n PHE 71 Ca -0.06 -2.79 -0.37 0.00 -0.00 0.00 0.00 57.45 54.23 1vyh n PHE 71 Cb 0.43 -1.17 -0.06 0.00 -1.00 0.00 0.00 39.48 37.67 1vyh n PHE 71 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1vyh s GLY 72 N -2.22 2.72 -0.01 1.37 0.00 -1.26 -3.93 107.32 103.99 1vyh s GLY 72 Ca 0.61 0.24 0.03 0.00 0.00 0.00 0.00 44.72 45.60 1vyh s GLY 72 CO 0.01 0.64 -0.09 -0.42 0.00 0.00 0.00 173.10 173.24 1vyh s ILE 73 N -1.40 0.76 0.36 0.90 1.01 -0.66 -4.67 121.20 117.50 1vyh s ILE 73 Ca 0.41 -0.40 -0.28 0.00 0.00 0.00 0.00 60.65 60.38 1vyh s ILE 73 Cb -0.19 -0.65 -0.10 0.00 0.01 0.00 0.00 42.46 41.54 1vyh s ILE 73 CO 0.22 0.22 1.32 -0.83 0.00 0.00 0.00 174.94 175.88 1vyh s GLY 74 N -0.14 2.97 0.00 6.18 0.00 -1.26 -2.87 107.32 112.21 1vyh s GLY 74 Ca 0.02 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.03 1vyh s GLY 74 CO -0.00 1.92 0.00 0.61 0.00 0.00 0.00 173.10 175.63 1vyh n GLY 75 N 0.72 0.43 3.76 0.20 0.00 -1.26 -4.79 105.19 104.25 1vyh n GLY 75 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1vyh n GLY 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vyh s ASP 76 N -2.34 5.79 0.51 1.61 1.11 -1.17 -4.97 116.67 117.20 1vyh s ASP 76 Ca 0.00 2.56 0.06 0.00 0.18 0.00 0.00 52.55 55.35 1vyh s ASP 76 Cb 0.00 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.39 1vyh s ASP 76 CO 0.00 -1.20 0.37 0.42 1.18 0.00 0.00 175.17 175.94 1vyh s THR 77 N -1.40 1.88 0.22 -1.27 -4.23 -1.26 -4.61 115.64 104.97 1vyh s THR 77 Ca 0.66 -1.50 -0.09 0.00 -1.18 0.00 0.00 61.69 59.59 1vyh s THR 77 Cb -0.35 -2.38 0.17 0.00 1.34 0.00 0.00 72.50 71.29 1vyh s THR 77 CO 0.43 0.00 1.86 0.71 -0.54 0.00 0.00 174.62 177.08 1vyh h THR 78 N 0.88 1.12 -0.70 3.99 1.35 -1.92 -1.30 112.91 116.33 1vyh h THR 78 Ca -0.38 -0.33 0.15 0.00 -0.55 0.00 0.00 66.41 65.29 1vyh h THR 78 Cb 1.29 0.06 -0.10 0.00 -1.73 0.00 0.00 68.15 67.67 1vyh h THR 78 CO 0.59 0.18 0.16 0.03 -0.25 0.00 0.00 175.52 176.22 1vyh h ARG 79 N 0.97 0.26 0.11 4.72 2.47 -1.84 0.29 114.38 121.36 1vyh h ARG 79 Ca 0.31 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 59.01 1vyh h ARG 79 Cb 0.01 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1vyh h ARG 79 CO -0.11 0.17 -0.06 0.45 0.56 0.00 0.00 179.97 180.98 1vyh h HIS 80 N 0.26 -0.14 -0.79 3.04 3.86 -1.45 -2.52 115.15 117.42 1vyh h HIS 80 Ca 0.38 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.66 1vyh h HIS 80 Cb 0.63 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 29.09 1vyh h HIS 80 CO -0.26 0.27 0.46 0.28 0.86 0.00 0.00 177.93 179.54 1vyh h VAL 81 N -0.61 0.98 0.03 2.45 2.07 -0.97 -0.59 116.25 119.61 1vyh h VAL 81 Ca -0.02 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.23 1vyh h VAL 81 Cb 0.48 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1vyh h VAL 81 CO 0.03 0.15 -0.22 -0.07 0.02 0.00 0.00 177.57 177.48 1vyh h LEU 82 N 0.83 -0.65 -0.78 2.57 3.38 -0.92 -0.87 115.31 118.86 1vyh h LEU 82 Ca 0.36 0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.57 1vyh h LEU 82 Cb 0.23 0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.08 1vyh h LEU 82 CO -0.20 -0.22 -0.04 -0.25 0.09 0.00 0.00 178.44 177.82 1vyh h TRP 83 N -0.29 -0.14 -0.41 1.13 7.01 -0.97 0.45 115.95 122.71 1vyh h TRP 83 Ca 0.00 0.06 0.06 0.00 2.11 0.00 0.00 58.89 61.12 1vyh h TRP 83 Cb 0.30 0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 1vyh h TRP 83 CO -0.38 -0.28 0.11 0.00 -2.79 0.00 0.00 178.44 175.09 1vyh h ARG 84 N 0.07 0.24 -0.39 2.65 3.08 -0.83 0.19 114.38 119.39 1vyh h ARG 84 Ca 0.42 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.33 1vyh h ARG 84 Cb 0.73 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1vyh h ARG 84 CO -0.73 0.16 -0.27 -0.07 -1.07 0.00 0.00 179.97 178.00 1vyh h LEU 85 N 0.25 0.90 -1.05 3.04 3.38 0.11 -2.88 115.31 119.06 1vyh h LEU 85 Ca 0.20 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1vyh h LEU 85 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1vyh h LEU 85 CO -0.24 1.14 0.26 0.50 0.09 0.00 0.00 178.44 180.20 1vyh h LYS 86 N 0.67 0.94 -1.17 1.13 3.64 0.20 -3.13 116.57 118.85 1vyh h LYS 86 Ca 0.08 -0.15 -0.46 0.00 -1.27 0.00 0.00 60.65 58.85 1vyh h LYS 86 Cb 0.84 -0.16 -0.22 0.00 -0.41 0.00 0.00 32.23 32.28 1vyh h LYS 86 CO 0.07 0.77 0.59 0.09 -2.27 0.00 0.00 179.45 178.69 1vyh n ASN 87 N -4.31 5.81 0.00 4.20 3.02 0.62 -4.83 115.26 119.77 1vyh n ASN 87 Ca 0.06 -3.33 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 1vyh n ASN 87 Cb 0.17 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 1vyh n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vyh n GLY 88 N -0.43 1.17 0.63 7.41 0.00 -1.18 -4.96 105.19 107.83 1vyh n GLY 88 Ca 0.45 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.53 1vyh n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vyh n GLU 89 N -1.57 1.80 -0.57 1.61 1.02 -1.15 -3.82 120.64 117.96 1vyh n GLU 89 Ca 0.00 -1.20 0.05 0.00 -0.02 0.00 0.00 57.16 55.99 1vyh n GLU 89 Cb 0.00 -1.28 0.09 0.00 -0.02 0.00 0.00 31.44 30.24 1vyh n GLU 89 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1vyh n LEU 90 N 0.47 1.51 -4.66 -4.62 4.77 -1.26 -4.96 117.00 108.26 1vyh n LEU 90 Ca 0.11 -2.47 -0.31 0.00 -0.03 0.00 0.00 56.01 53.31 1vyh n LEU 90 Cb 0.29 -0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 1vyh n LEU 90 CO 0.08 0.69 -0.35 -1.61 -1.33 0.00 0.00 177.39 174.87 1vyh s GLU 91 N -1.61 2.60 0.00 3.23 0.41 -1.25 -4.72 118.70 117.36 1vyh s GLU 91 Ca 0.25 -0.75 0.00 0.00 -0.41 0.00 0.00 54.97 54.06 1vyh s GLU 91 Cb 0.24 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 30.03 1vyh s GLU 91 CO -0.04 0.58 0.00 0.09 -0.49 0.00 0.00 175.26 175.40 1vyh n ASN 92 N 1.09 0.00 -4.75 -0.19 3.02 -1.26 -4.72 115.26 108.46 1vyh n ASN 92 Ca -0.13 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.07 1vyh n ASN 92 Cb 0.52 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.75 1vyh n ASN 92 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1vyh s ILE 93 N 0.00 2.68 -0.39 2.41 -4.36 -1.26 -5.01 121.20 115.27 1vyh s ILE 93 Ca 0.00 0.36 0.10 0.00 -0.26 0.00 0.00 60.65 60.85 1vyh s ILE 93 Cb 0.00 -2.98 0.32 0.00 1.25 0.00 0.00 42.46 41.05 1vyh s ILE 93 CO 0.00 -0.15 0.68 0.29 0.24 0.00 0.00 174.94 176.00 1vyh n LYS 94 N -2.22 1.03 -1.77 0.37 4.76 -1.26 -5.06 118.16 114.01 1vyh n LYS 94 Ca 0.13 -3.43 -0.37 0.00 -2.87 0.00 0.00 58.31 51.77 1vyh n LYS 94 Cb 0.50 -1.60 0.06 0.00 -1.84 0.00 0.00 35.03 32.16 1vyh n LYS 94 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1vyh s PRO 95 N -2.11 2.66 0.06 1.97 0.04 -1.25 -4.89 135.00 131.47 1vyh s PRO 95 Ca 0.39 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 63.40 1vyh s PRO 95 Cb 0.29 -1.90 -0.31 0.00 0.04 0.00 0.00 34.50 32.62 1vyh s PRO 95 CO -0.09 -1.52 1.08 0.87 0.04 0.00 0.00 177.00 177.38 1vyh h LYS 96 N 0.69 0.42 -5.00 4.56 1.57 0.14 -3.39 116.57 115.56 1vyh h LYS 96 Ca -0.51 -0.70 -0.48 0.00 -1.87 0.00 0.00 60.65 57.09 1vyh h LYS 96 Cb 1.33 0.26 -0.30 0.00 0.08 0.00 0.00 32.23 33.59 1vyh h LYS 96 CO 0.54 1.33 -0.81 0.08 -0.57 0.00 0.00 179.45 180.02 1vyh s VAL 97 N -2.67 1.05 -0.05 0.50 1.01 -0.63 -1.41 120.40 118.20 1vyh s VAL 97 Ca -0.07 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1vyh s VAL 97 Cb 0.06 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 1vyh s VAL 97 CO 0.92 0.31 -0.22 -0.63 0.00 0.00 0.00 175.10 175.48 1vyh s ILE 98 N -0.02 1.77 -0.22 2.22 1.01 -0.53 -0.99 121.20 124.45 1vyh s ILE 98 Ca -0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1vyh s ILE 98 Cb -0.08 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.89 1vyh s ILE 98 CO 0.01 0.50 -0.07 -0.69 0.00 0.00 0.00 174.94 174.68 1vyh s VAL 99 N -0.12 3.05 -0.15 2.92 1.01 0.78 -0.34 120.40 127.54 1vyh s VAL 99 Ca -0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1vyh s VAL 99 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1vyh s VAL 99 CO 0.03 0.41 0.02 -0.69 0.00 0.00 0.00 175.10 174.86 1vyh s VAL 100 N 1.42 4.41 -0.35 2.92 1.01 0.16 -0.89 120.40 129.08 1vyh s VAL 100 Ca 0.05 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1vyh s VAL 100 Cb -0.14 -2.94 0.15 0.00 0.00 0.00 0.00 36.38 33.44 1vyh s VAL 100 CO -0.05 0.51 0.32 0.86 0.00 0.00 0.00 175.10 176.74 1vyh s TRP 101 N 0.06 -0.11 0.01 5.22 -0.00 -0.67 -1.43 118.94 122.02 1vyh s TRP 101 Ca 0.03 -0.88 -0.03 0.00 -0.00 0.00 0.00 56.10 55.22 1vyh s TRP 101 Cb -0.13 -0.53 -0.01 0.00 -0.00 0.00 0.00 33.47 32.81 1vyh s TRP 101 CO 0.02 -0.93 0.04 0.08 -0.00 0.00 0.00 176.95 176.16 1vyh s VAL 102 N 1.53 0.10 0.00 5.86 1.01 -1.26 -1.82 120.40 125.82 1vyh s VAL 102 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1vyh s VAL 102 Cb -0.17 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.86 1vyh s VAL 102 CO -0.08 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1vyh n GLY 103 N 1.50 2.50 0.17 4.51 0.00 -1.26 -4.90 105.19 107.71 1vyh n GLY 103 Ca -0.23 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1vyh n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vyh h THR 104 N 0.00 0.00 -0.12 2.61 1.03 -1.94 0.13 112.91 114.62 1vyh h THR 104 Ca 0.00 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 1vyh h THR 104 Cb 0.00 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 67.67 1vyh h THR 104 CO 0.00 0.00 0.00 0.59 -0.01 0.00 0.00 175.52 176.10 1vyh n ASN 105 N -2.31 2.49 -2.41 0.00 3.02 -1.26 -4.60 115.26 110.18 1vyh n ASN 105 Ca -0.01 -1.82 -0.22 0.00 -0.03 0.00 0.00 54.58 52.50 1vyh n ASN 105 Cb 0.07 -0.07 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1vyh n ASN 105 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1vyh n ASN 106 N 0.91 6.23 -4.69 6.41 3.02 0.44 -4.87 115.26 122.71 1vyh n ASN 106 Ca 0.17 -2.83 -0.33 0.00 -0.03 0.00 0.00 54.58 51.56 1vyh n ASN 106 Cb 0.49 -1.35 0.14 0.00 -0.61 0.00 0.00 39.78 38.45 1vyh n ASN 106 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1vyh s HIS 107 N -0.15 1.76 0.00 3.10 3.76 -1.26 -2.73 115.29 119.76 1vyh s HIS 107 Ca 0.63 1.71 0.00 0.00 -0.15 0.00 0.00 55.06 57.25 1vyh s HIS 107 Cb 0.32 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.58 1vyh s HIS 107 CO -0.10 -2.82 0.00 0.39 -0.85 0.00 0.00 174.74 171.36 1vyh n GLU 108 N -3.58 0.00 -4.80 1.40 1.02 -1.26 -5.02 120.64 108.39 1vyh n GLU 108 Ca 0.13 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 57.01 1vyh n GLU 108 Cb 0.51 -1.53 -0.15 0.00 -0.02 0.00 0.00 31.44 30.25 1vyh n GLU 108 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1vyh s ASN 109 N -3.27 2.50 0.63 1.62 0.01 -1.10 -5.06 114.94 110.26 1vyh s ASN 109 Ca 0.00 -0.47 -0.17 0.00 -0.71 0.00 0.00 52.86 51.51 1vyh s ASN 109 Cb 0.00 -0.23 -0.02 0.00 0.41 0.00 0.00 41.25 41.41 1vyh s ASN 109 CO 0.00 0.20 1.15 0.42 -1.51 0.00 0.00 177.10 177.37 1vyh s THR 110 N -0.68 2.91 0.26 1.60 -4.23 -1.26 -4.85 115.64 109.39 1vyh s THR 110 Ca 0.08 0.50 -0.07 0.00 -1.18 0.00 0.00 61.69 61.01 1vyh s THR 110 Cb -0.09 -3.09 0.36 0.00 1.34 0.00 0.00 72.50 71.03 1vyh s THR 110 CO 0.01 -0.19 1.59 0.00 -0.54 0.00 0.00 174.62 175.49 1vyh h ALA 111 N 0.46 0.72 0.02 3.99 0.00 -1.95 -1.12 119.26 121.38 1vyh h ALA 111 Ca -0.49 0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1vyh h ALA 111 Cb 1.27 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 19.63 1vyh h ALA 111 CO 0.54 -0.43 -0.16 0.93 0.00 0.00 0.00 179.25 180.13 1vyh h GLU 112 N 0.02 -0.27 -0.65 0.00 3.07 -1.94 -1.37 114.58 113.45 1vyh h GLU 112 Ca 0.45 0.02 0.06 0.00 -0.50 0.00 0.00 59.36 59.38 1vyh h GLU 112 Cb 0.75 0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.67 1vyh h GLU 112 CO -0.85 -0.18 0.35 0.93 -1.40 0.00 0.00 179.01 177.86 1vyh h GLU 113 N -0.28 0.62 -0.46 2.33 5.08 -1.61 -1.63 114.58 118.64 1vyh h GLU 113 Ca 0.05 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1vyh h GLU 113 Cb 0.34 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1vyh h GLU 113 CO -0.15 0.41 0.27 0.28 -1.00 0.00 0.00 179.01 178.82 1vyh h VAL 114 N 0.64 1.04 -0.62 3.13 2.07 -0.68 0.15 116.25 121.99 1vyh h VAL 114 Ca 0.29 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1vyh h VAL 114 Cb 0.20 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 1vyh h VAL 114 CO -0.19 0.10 0.41 0.00 0.02 0.00 0.00 177.57 177.90 1vyh h ALA 115 N 1.20 0.79 -0.59 1.67 0.00 -0.84 -0.39 119.26 121.10 1vyh h ALA 115 Ca 0.18 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1vyh h ALA 115 Cb 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 17.79 17.45 1vyh h ALA 115 CO -0.08 0.23 -0.10 0.78 0.00 0.00 0.00 179.25 180.07 1vyh h GLY 116 N 0.84 0.49 0.15 0.00 0.00 -0.27 0.40 103.07 104.68 1vyh h GLY 116 Ca 0.23 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.74 1vyh h GLY 116 CO -0.05 -0.22 -0.48 -1.33 0.00 0.00 0.00 176.54 174.46 1vyh h GLY 117 N 0.03 -1.00 0.22 4.60 0.00 0.87 -0.32 103.07 107.47 1vyh h GLY 117 Ca 0.29 0.58 0.06 0.00 0.00 0.00 0.00 47.33 48.26 1vyh h GLY 117 CO -0.58 -0.26 -0.23 -2.22 0.00 0.00 0.00 176.54 173.25 1vyh h ILE 118 N -0.69 0.42 -0.70 2.60 2.04 -0.89 -1.15 117.51 119.14 1vyh h ILE 118 Ca 0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.02 1vyh h ILE 118 Cb 0.72 0.42 -0.13 0.00 -0.74 0.00 0.00 36.82 37.09 1vyh h ILE 118 CO -0.29 0.00 -0.07 -0.33 0.00 0.00 0.00 178.15 177.46 1vyh h GLU 119 N -0.26 0.06 -0.64 2.37 5.08 -0.50 0.18 114.58 120.87 1vyh h GLU 119 Ca 0.12 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1vyh h GLU 119 Cb 0.45 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1vyh h GLU 119 CO -0.35 0.04 0.34 0.00 -1.00 0.00 0.00 179.01 178.04 1vyh h ALA 120 N 1.67 0.82 0.12 3.43 0.00 -0.19 0.50 119.26 125.60 1vyh h ALA 120 Ca 0.36 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1vyh h ALA 120 Cb 0.60 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1vyh h ALA 120 CO -0.66 0.34 -0.27 0.82 0.00 0.00 0.00 179.25 179.49 1vyh h ILE 121 N 0.87 0.42 -0.35 0.00 2.04 0.24 -0.26 117.51 120.46 1vyh h ILE 121 Ca 0.22 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.16 1vyh h ILE 121 Cb 0.05 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 36.47 1vyh h ILE 121 CO -0.03 0.00 -0.26 0.58 0.00 0.00 0.00 178.15 178.44 1vyh h VAL 122 N -0.48 0.34 -0.50 1.67 2.07 -0.28 0.65 116.25 119.73 1vyh h VAL 122 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1vyh h VAL 122 Cb 0.50 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 1vyh h VAL 122 CO -0.15 0.00 -0.16 -0.61 0.02 0.00 0.00 177.57 176.67 1vyh h GLN 123 N -0.21 -0.04 -0.04 1.57 4.15 -0.58 -0.92 115.11 119.04 1vyh h GLN 123 Ca 0.17 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.60 1vyh h GLN 123 Cb 0.48 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1vyh h GLN 123 CO -0.47 -0.03 -0.01 1.25 -1.93 0.00 0.00 178.83 177.64 1vyh h LEU 124 N -0.04 -0.03 0.37 -2.39 5.85 0.13 -1.77 115.31 117.43 1vyh h LEU 124 Ca 0.24 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 1vyh h LEU 124 Cb 0.40 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1vyh h LEU 124 CO -0.53 -0.01 -0.29 0.40 -0.34 0.00 0.00 178.44 177.67 1vyh h ILE 125 N 0.00 0.39 0.00 4.05 2.04 0.02 -0.29 117.51 123.73 1vyh h ILE 125 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1vyh h ILE 125 Cb 0.03 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1vyh h ILE 125 CO -0.04 0.00 0.00 -0.46 0.00 0.00 0.00 178.15 177.65 1vyh n ASN 126 N -5.42 0.00 -0.09 1.72 2.04 -0.44 0.92 115.26 114.00 1vyh n ASN 126 Ca -0.10 -1.09 -0.15 0.00 -0.44 0.00 0.00 54.58 52.80 1vyh n ASN 126 Cb 0.32 0.00 -0.08 0.00 -2.53 0.00 0.00 39.78 37.48 1vyh n ASN 126 CO 0.00 0.00 0.00 0.74 -0.44 0.00 0.00 177.26 177.56 1vyh h THR 127 N 0.00 0.72 0.00 5.53 2.02 -0.17 -3.32 112.91 117.69 1vyh h THR 127 Ca 0.00 -1.82 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 1vyh h THR 127 Cb 0.00 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1vyh h THR 127 CO 0.00 0.24 -0.03 -0.09 0.37 0.00 0.00 175.52 176.01 1vyh h ARG 128 N -1.00 0.00 -1.92 6.66 9.65 -0.63 -3.37 114.38 123.78 1vyh h ARG 128 Ca -0.20 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.19 1vyh h ARG 128 Cb 0.99 0.00 -0.40 0.00 -1.39 0.00 0.00 29.97 29.16 1vyh h ARG 128 CO -0.12 0.03 -1.08 1.04 2.80 0.00 0.00 179.97 182.64 1vyh n GLN 129 N -3.12 1.49 0.13 0.20 1.13 0.26 -4.98 117.38 112.49 1vyh n GLN 129 Ca 0.02 -3.67 0.19 0.00 -1.94 0.00 0.00 57.00 51.60 1vyh n GLN 129 Cb 0.43 -1.77 0.77 0.00 0.11 0.00 0.00 30.24 29.78 1vyh n GLN 129 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1vyh h PRO 130 N 2.98 0.00 0.00 -1.09 0.13 -1.73 -0.81 132.00 131.48 1vyh h PRO 130 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1vyh h PRO 130 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1vyh h PRO 130 CO 0.57 0.00 -0.24 -0.56 -0.23 0.00 0.00 178.00 177.54 1vyh h GLN 131 N 0.00 0.00 -6.55 0.86 -0.00 -1.93 -3.47 115.11 104.03 1vyh h GLN 131 Ca 0.16 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 58.29 1vyh h GLN 131 Cb 0.93 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.39 1vyh h GLN 131 CO -0.00 0.00 0.29 0.00 -0.00 0.00 0.00 178.83 179.11 1vyh s ALA 132 N -3.15 3.33 -0.09 0.06 0.00 -0.31 -4.94 121.76 116.66 1vyh s ALA 132 Ca 0.08 0.49 -0.19 0.00 0.00 0.00 0.00 51.96 52.35 1vyh s ALA 132 Cb 0.12 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 1vyh s ALA 132 CO 0.65 0.11 0.51 0.15 0.00 0.00 0.00 175.76 177.18 1vyh s LYS 133 N -0.52 4.31 -0.16 0.00 1.02 -0.50 -4.90 119.74 118.99 1vyh s LYS 133 Ca 0.42 0.52 -0.03 0.00 0.02 0.00 0.00 55.97 56.90 1vyh s LYS 133 Cb -0.23 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.65 1vyh s LYS 133 CO 0.28 0.23 -0.05 0.42 -0.92 0.00 0.00 175.35 175.31 1vyh s ILE 134 N 0.37 3.74 -0.17 2.17 1.01 -0.37 -1.45 121.20 126.51 1vyh s ILE 134 Ca 0.27 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 1vyh s ILE 134 Cb -0.16 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 1vyh s ILE 134 CO 0.12 0.49 -0.04 -0.63 0.00 0.00 0.00 174.94 174.88 1vyh s ILE 135 N 0.46 3.78 -0.27 2.92 1.01 0.53 -1.63 121.20 128.01 1vyh s ILE 135 Ca -0.04 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 1vyh s ILE 135 Cb -0.14 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.67 1vyh s ILE 135 CO 0.03 0.47 0.02 -0.69 0.00 0.00 0.00 174.94 174.78 1vyh s VAL 136 N 0.60 3.57 0.12 2.92 1.01 -0.24 0.37 120.40 128.75 1vyh s VAL 136 Ca -0.03 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1vyh s VAL 136 Cb -0.14 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 1vyh s VAL 136 CO 0.02 0.16 1.17 -0.76 0.00 0.00 0.00 175.10 175.69 1vyh s LEU 137 N 1.45 4.42 0.75 3.92 1.43 -0.52 -0.29 118.68 129.84 1vyh s LEU 137 Ca 0.02 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.07 1vyh s LEU 137 Cb -0.17 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 42.51 1vyh s LEU 137 CO -0.00 -0.38 1.13 -0.83 0.23 0.00 0.00 176.35 176.49 1vyh s GLY 138 N 0.56 1.96 0.25 -3.19 0.00 -0.71 -4.67 107.32 101.51 1vyh s GLY 138 Ca 0.55 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 45.50 1vyh s GLY 138 CO 0.32 0.90 1.11 1.08 0.00 0.00 0.00 173.10 176.51 1vyh s LEU 139 N -5.55 4.53 0.36 0.66 1.43 -1.26 -4.89 118.68 113.95 1vyh s LEU 139 Ca 0.66 2.22 -0.02 0.00 -1.03 0.00 0.00 54.13 55.96 1vyh s LEU 139 Cb -0.21 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 1vyh s LEU 139 CO 0.50 -0.18 0.59 -0.76 0.23 0.00 0.00 176.35 176.73 1vyh s LEU 140 N -1.07 3.95 1.03 1.79 1.43 -1.26 -4.79 118.68 119.77 1vyh s LEU 140 Ca 0.46 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1vyh s LEU 140 Cb -0.31 -3.47 0.21 0.00 0.03 0.00 0.00 46.19 42.64 1vyh s LEU 140 CO 0.39 -0.32 1.07 -2.65 0.23 0.00 0.00 176.35 175.07 1vyh n PRO 141 N -1.65 -1.35 -3.75 1.29 -0.02 -1.26 -4.95 135.00 123.30 1vyh n PRO 141 Ca -0.03 -0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.01 1vyh n PRO 141 Cb 0.55 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 1vyh n PRO 141 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1vyh s ARG 142 N -4.51 1.34 0.00 -0.52 1.70 -1.26 -4.87 118.95 110.83 1vyh s ARG 142 Ca 0.67 -0.88 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 1vyh s ARG 142 Cb -0.24 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.64 1vyh s ARG 142 CO 0.61 -0.56 0.00 0.41 -1.08 0.00 0.00 175.30 174.68 1vyh n GLY 143 N -0.32 -0.90 0.08 3.88 0.00 0.33 -4.60 105.19 103.65 1vyh n GLY 143 Ca -0.10 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1vyh n GLY 143 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vyh h GLU 144 N 0.00 -0.08 -6.51 1.61 4.81 -1.87 -3.40 114.58 109.14 1vyh h GLU 144 Ca 0.00 0.01 -0.64 0.00 -0.13 0.00 0.00 59.36 58.60 1vyh h GLU 144 Cb 0.00 0.02 -0.16 0.00 0.63 0.00 0.00 28.75 29.24 1vyh h GLU 144 CO 0.00 0.19 -0.77 0.15 -0.73 0.00 0.00 179.01 177.85 1vyh s LYS 145 N -5.11 1.76 0.44 1.92 1.02 -1.26 -1.99 119.74 116.52 1vyh s LYS 145 Ca -0.15 -1.44 -0.21 0.00 0.02 0.00 0.00 55.97 54.20 1vyh s LYS 145 Cb 0.03 -1.97 -0.13 0.00 -0.52 0.00 0.00 37.83 35.24 1vyh s LYS 145 CO 0.65 0.41 0.34 -2.30 -0.92 0.00 0.00 175.35 173.53 1vyh n PRO 146 N 0.09 0.33 -3.51 -1.68 -0.02 -1.26 -5.01 135.00 123.95 1vyh n PRO 146 Ca -0.11 0.12 -0.08 0.00 -2.02 0.00 0.00 63.50 61.41 1vyh n PRO 146 Cb 0.56 -1.33 -0.02 0.00 -0.02 0.00 0.00 33.50 32.69 1vyh n PRO 146 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1vyh s ASN 147 N -1.00 -0.35 0.31 2.55 4.22 -1.26 -5.04 114.94 114.37 1vyh s ASN 147 Ca 0.62 0.02 0.25 0.00 -2.14 0.00 0.00 52.86 51.61 1vyh s ASN 147 Cb -0.58 0.36 1.04 0.00 1.28 0.00 0.00 41.25 43.35 1vyh s ASN 147 CO 0.60 -0.58 1.04 -2.65 -2.04 0.00 0.00 177.10 173.48 1vyh n PRO 148 N -0.18 -0.02 0.12 3.55 -0.02 -1.26 -1.25 135.00 135.95 1vyh n PRO 148 Ca -0.08 0.81 -0.24 0.00 -2.02 0.00 0.00 63.50 61.97 1vyh n PRO 148 Cb 0.61 -1.66 -0.16 0.00 -0.02 0.00 0.00 33.50 32.28 1vyh n PRO 148 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1vyh h LEU 149 N 0.00 0.75 -1.58 2.45 3.38 -1.96 -1.51 115.31 116.85 1vyh h LEU 149 Ca 0.60 -0.93 0.19 0.00 0.09 0.00 0.00 57.88 57.83 1vyh h LEU 149 Cb 2.06 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.51 1vyh h LEU 149 CO -0.24 1.67 0.57 -0.09 0.09 0.00 0.00 178.44 180.44 1vyh h ARG 150 N 0.04 0.36 -0.04 1.13 2.43 -1.43 -0.04 114.38 116.83 1vyh h ARG 150 Ca -0.25 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.88 1vyh h ARG 150 Cb 2.06 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 31.53 1vyh h ARG 150 CO 0.24 0.24 -0.06 0.37 -1.51 0.00 0.00 179.97 179.25 1vyh h GLN 151 N 0.37 0.11 0.51 0.20 4.15 -1.44 -2.90 115.11 116.11 1vyh h GLN 151 Ca 0.43 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.77 1vyh h GLN 151 Cb 1.10 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 1vyh h GLN 151 CO -0.14 0.61 -0.29 -0.22 -1.93 0.00 0.00 178.83 176.85 1vyh h LYS 152 N -0.38 -0.73 -0.71 1.69 3.64 0.03 -1.66 116.57 118.44 1vyh h LYS 152 Ca 0.00 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.56 1vyh h LYS 152 Cb 0.60 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.49 1vyh h LYS 152 CO 0.01 -0.48 0.27 -0.91 -2.27 0.00 0.00 179.45 176.07 1vyh h ASN 153 N -0.75 0.24 -0.25 4.20 4.21 -1.34 -0.95 115.58 120.94 1vyh h ASN 153 Ca -0.06 0.10 0.06 0.00 1.21 0.00 0.00 56.30 57.61 1vyh h ASN 153 Cb 0.60 0.09 -0.08 0.00 -1.12 0.00 0.00 38.32 37.82 1vyh h ASN 153 CO 0.08 0.10 -0.37 0.00 -1.29 0.00 0.00 177.43 175.95 1vyh h ALA 154 N 1.52 -0.41 -0.50 -0.83 0.00 -1.25 -1.20 119.26 116.59 1vyh h ALA 154 Ca 0.38 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.42 1vyh h ALA 154 Cb 0.56 0.74 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1vyh h ALA 154 CO -0.39 -0.83 0.09 -0.22 0.00 0.00 0.00 179.25 177.91 1vyh h LYS 155 N -0.38 0.22 -0.39 0.00 3.64 -0.27 -0.63 116.57 118.76 1vyh h LYS 155 Ca 0.12 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1vyh h LYS 155 Cb 0.58 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.26 1vyh h LYS 155 CO -0.46 0.15 -0.22 0.28 -2.27 0.00 0.00 179.45 176.93 1vyh h VAL 156 N 0.23 0.38 -0.52 2.00 2.07 -0.43 0.42 116.25 120.40 1vyh h VAL 156 Ca 0.25 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1vyh h VAL 156 Cb 0.34 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1vyh h VAL 156 CO -0.33 0.00 0.26 0.78 0.02 0.00 0.00 177.57 178.29 1vyh h ASN 157 N -0.15 0.36 -0.27 0.57 4.21 -0.09 -0.50 115.58 119.71 1vyh h ASN 157 Ca 0.19 0.03 0.03 0.00 1.21 0.00 0.00 56.30 57.77 1vyh h ASN 157 Cb 0.45 -0.03 -0.06 0.00 -1.12 0.00 0.00 38.32 37.56 1vyh h ASN 157 CO -0.49 0.25 -0.40 -0.61 -1.29 0.00 0.00 177.43 174.89 1vyh h GLN 158 N 0.50 -0.29 -0.53 0.81 5.75 0.37 -0.88 115.11 120.84 1vyh h GLN 158 Ca 0.23 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1vyh h GLN 158 Cb 0.16 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 1vyh h GLN 158 CO -0.17 -0.19 0.34 -0.07 -2.65 0.00 0.00 178.83 176.09 1vyh h LEU 159 N -0.30 0.61 -0.32 -2.39 3.38 -0.43 -2.31 115.31 113.55 1vyh h LEU 159 Ca 0.05 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1vyh h LEU 159 Cb 0.43 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1vyh h LEU 159 CO -0.41 0.45 -0.40 -0.07 0.09 0.00 0.00 178.44 178.09 1vyh h LEU 160 N 0.72 0.91 -1.64 1.67 3.38 -0.70 0.32 115.31 119.97 1vyh h LEU 160 Ca 0.19 -0.49 0.13 0.00 0.09 0.00 0.00 57.88 57.80 1vyh h LEU 160 Cb -0.07 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1vyh h LEU 160 CO -0.04 1.22 0.45 0.50 0.09 0.00 0.00 178.44 180.66 1vyh h LYS 161 N 0.62 0.37 0.17 1.13 3.64 -0.60 -0.59 116.57 121.31 1vyh h LYS 161 Ca 0.04 -0.02 -0.33 0.00 -1.27 0.00 0.00 60.65 59.07 1vyh h LYS 161 Cb 1.00 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1vyh h LYS 161 CO 0.10 0.24 -1.63 -0.24 -2.27 0.00 0.00 179.45 175.64 1vyh h VAL 162 N 0.38 0.99 0.00 2.00 3.04 -1.32 -3.40 116.25 117.94 1vyh h VAL 162 Ca 0.32 -2.50 -0.02 0.00 -1.01 0.00 0.00 66.70 63.49 1vyh h VAL 162 Cb 0.73 2.78 -0.00 0.00 -2.01 0.00 0.00 31.29 32.79 1vyh h VAL 162 CO -0.09 0.82 -0.57 0.77 -1.01 0.00 0.00 177.57 177.49 1vyh h SER 163 N 0.00 0.00 0.64 3.17 4.64 -0.65 -3.39 113.55 117.96 1vyh h SER 163 Ca -0.33 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.72 1vyh h SER 163 Cb 2.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 64.08 1vyh h SER 163 CO 0.16 0.08 -1.43 -0.07 -0.87 0.00 0.00 176.83 174.69 1vyh h LEU 164 N 0.00 0.12 0.00 5.97 3.38 -1.31 -3.28 115.31 120.19 1vyh h LEU 164 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1vyh h LEU 164 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1vyh h LEU 164 CO 0.01 1.15 0.00 -2.65 0.09 0.00 0.00 178.44 177.04 1vyh n PRO 165 N -3.28 0.24 -1.33 1.13 -0.02 -1.26 -4.32 135.00 126.16 1vyh n PRO 165 Ca -0.12 0.13 -0.17 0.00 -2.02 0.00 0.00 63.50 61.32 1vyh n PRO 165 Cb 1.01 -1.50 0.11 0.00 -0.02 0.00 0.00 33.50 33.11 1vyh n PRO 165 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vyh n LYS 166 N -1.25 -0.58 -1.36 -0.52 5.02 -1.24 -4.99 118.16 113.25 1vyh n LYS 166 Ca 0.07 -1.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.99 1vyh n LYS 166 Cb 0.11 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1vyh n LYS 166 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1vyh n LEU 167 N 0.00 -4.59 -4.72 -0.35 4.32 -1.26 -4.85 117.00 105.54 1vyh n LEU 167 Ca 0.10 2.43 -0.42 0.00 -0.02 0.00 0.00 56.01 58.10 1vyh n LEU 167 Cb 0.36 -2.10 -0.04 0.00 -1.62 0.00 0.00 43.42 40.03 1vyh n LEU 167 CO 0.26 -0.30 0.71 0.00 -1.22 0.00 0.00 177.39 176.84 1vyh s ALA 168 N -2.05 3.24 -1.13 -1.18 0.00 -1.26 -4.19 121.76 115.19 1vyh s ALA 168 Ca 0.00 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.46 1vyh s ALA 168 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1vyh s ALA 168 CO 0.00 -0.17 0.83 0.09 0.00 0.00 0.00 175.76 176.52 1vyh n ASN 169 N 3.27 -5.15 -3.88 0.00 3.02 -1.26 -4.91 115.26 106.34 1vyh n ASN 169 Ca 0.04 -0.87 -0.12 0.00 -0.03 0.00 0.00 54.58 53.61 1vyh n ASN 169 Cb 0.49 -4.20 -0.14 0.00 -0.61 0.00 0.00 39.78 35.32 1vyh n ASN 169 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1vyh s VAL 170 N -3.46 0.02 0.02 2.41 1.01 -1.26 -1.24 120.40 117.90 1vyh s VAL 170 Ca 0.39 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1vyh s VAL 170 Cb -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1vyh s VAL 170 CO 0.81 -0.04 -0.05 0.00 0.00 0.00 0.00 175.10 175.82 1vyh s GLN 171 N -0.13 0.35 -0.01 2.72 -2.07 -0.64 -4.62 119.66 115.25 1vyh s GLN 171 Ca -0.01 -0.51 -0.21 0.00 -1.82 0.00 0.00 55.36 52.81 1vyh s GLN 171 Cb -0.01 -0.11 -0.05 0.00 -1.09 0.00 0.00 33.01 31.74 1vyh s GLN 171 CO -0.00 0.01 0.60 -1.17 -1.32 0.00 0.00 175.29 173.41 1vyh s LEU 172 N -1.10 4.40 -0.40 2.60 2.96 -1.26 -1.08 118.68 124.80 1vyh s LEU 172 Ca -0.09 1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 54.94 1vyh s LEU 172 Cb -0.07 -2.92 0.11 0.00 0.50 0.00 0.00 46.19 43.80 1vyh s LEU 172 CO -0.00 0.08 0.18 -0.22 -1.32 0.00 0.00 176.35 175.08 1vyh s LEU 173 N -0.09 5.19 -0.86 -0.68 2.96 0.60 -4.91 118.68 120.89 1vyh s LEU 173 Ca 0.31 -2.04 -0.15 0.00 -0.22 0.00 0.00 54.13 52.03 1vyh s LEU 173 Cb -0.18 -1.80 0.19 0.00 0.50 0.00 0.00 46.19 44.90 1vyh s LEU 173 CO 0.17 -0.52 0.88 -0.62 -1.32 0.00 0.00 176.35 174.93 1vyh s ASP 174 N 1.71 6.74 0.31 3.68 3.68 -1.26 -1.73 116.67 129.80 1vyh s ASP 174 Ca 0.08 -2.52 -0.29 0.00 2.13 0.00 0.00 52.55 51.95 1vyh s ASP 174 Cb -0.22 -2.26 -0.10 0.00 -1.45 0.00 0.00 42.92 38.88 1vyh s ASP 174 CO -0.05 -0.71 1.20 -0.89 0.13 0.00 0.00 175.17 174.86 1vyh s THR 175 N 0.86 3.10 -0.31 1.71 2.01 -1.26 -4.99 115.64 116.76 1vyh s THR 175 Ca 0.22 1.10 -0.02 0.00 0.31 0.00 0.00 61.69 63.31 1vyh s THR 175 Cb -0.08 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 68.83 1vyh s THR 175 CO -0.09 0.26 0.11 -0.62 -0.69 0.00 0.00 174.62 173.59 1vyh s ASP 176 N -0.69 3.85 0.89 3.53 3.68 -1.26 -4.99 116.67 121.68 1vyh s ASP 176 Ca 0.47 -1.59 -0.11 0.00 2.13 0.00 0.00 52.55 53.45 1vyh s ASP 176 Cb -0.36 -0.71 0.13 0.00 -1.45 0.00 0.00 42.92 40.52 1vyh s ASP 176 CO 0.47 -0.42 1.09 -0.83 0.13 0.00 0.00 175.17 175.62 1vyh s GLY 177 N 1.70 1.62 -0.02 2.66 0.00 -1.26 -4.86 107.32 107.16 1vyh s GLY 177 Ca 0.10 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.73 1vyh s GLY 177 CO -0.27 0.43 2.23 0.61 0.00 0.00 0.00 173.10 176.10 1vyh n GLY 178 N -1.14 2.13 0.25 0.20 0.00 -1.26 -4.49 105.19 100.87 1vyh n GLY 178 Ca 0.07 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.37 1vyh n GLY 178 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1vyh h PHE 179 N 4.38 0.63 -3.29 1.61 0.05 -1.95 -3.38 116.94 115.00 1vyh h PHE 179 Ca 0.11 -0.13 -0.63 0.00 3.82 0.00 0.00 57.97 61.14 1vyh h PHE 179 Cb 0.83 -0.16 -0.19 0.00 2.00 0.00 0.00 35.95 38.43 1vyh h PHE 179 CO 1.45 0.75 -0.62 0.08 -0.18 0.00 0.00 178.31 179.79 1vyh s VAL 180 N -4.55 4.29 0.04 -0.55 1.01 -1.26 -4.12 120.40 115.26 1vyh s VAL 180 Ca -0.08 -0.22 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 1vyh s VAL 180 Cb 0.14 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.63 1vyh s VAL 180 CO 0.80 0.49 0.06 1.41 0.00 0.00 0.00 175.10 177.86 1vyh n HIS 181 N 3.44 -3.48 -0.12 5.22 8.25 -1.01 -4.89 115.22 122.64 1vyh n HIS 181 Ca -0.17 -0.09 -0.06 0.00 -0.26 0.00 0.00 57.72 57.14 1vyh n HIS 181 Cb 0.52 -0.04 0.02 0.00 1.12 0.00 0.00 29.99 31.61 1vyh n HIS 181 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1vyh h SER 182 N -0.05 0.22 0.00 0.41 0.02 -1.97 -0.84 113.55 111.34 1vyh h SER 182 Ca -0.02 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1vyh h SER 182 Cb 0.07 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1vyh h SER 182 CO 0.02 0.17 0.00 -0.90 -1.14 0.00 0.00 176.83 174.97 1vyh n ASP 183 N -4.97 0.00 -0.60 3.07 5.68 -1.26 -4.83 116.55 113.65 1vyh n ASP 183 Ca 0.02 -1.09 -0.07 0.00 -0.50 0.00 0.00 54.79 53.14 1vyh n ASP 183 Cb 0.11 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.07 1vyh n ASP 183 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1vyh n GLY 184 N 0.33 0.84 3.82 6.12 0.00 -0.32 -4.97 105.19 111.00 1vyh n GLY 184 Ca 0.08 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1vyh n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vyh s ALA 185 N -2.29 3.70 -0.26 4.61 0.00 -1.26 -3.99 121.76 122.27 1vyh s ALA 185 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 51.96 51.10 1vyh s ALA 185 Cb 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.32 1vyh s ALA 185 CO 0.00 0.66 0.17 0.42 0.00 0.00 0.00 175.76 177.00 1vyh s ILE 186 N -1.10 5.25 0.14 0.00 1.01 -0.84 -2.39 121.20 123.27 1vyh s ILE 186 Ca 0.19 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.68 1vyh s ILE 186 Cb -0.12 -3.48 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 1vyh s ILE 186 CO 0.09 0.30 1.18 -0.55 0.00 0.00 0.00 174.94 175.95 1vyh s SER 187 N 1.45 7.12 0.00 3.58 0.15 -1.26 -4.81 113.70 119.93 1vyh s SER 187 Ca 0.07 2.13 0.13 0.00 0.70 0.00 0.00 55.95 58.98 1vyh s SER 187 Cb -0.15 -2.60 0.75 0.00 -1.71 0.00 0.00 66.02 62.31 1vyh s SER 187 CO 0.08 -0.37 1.17 0.00 1.20 0.00 0.00 173.24 175.32 1vyh n HIS 189 N -0.97 0.00 -0.00 0.00 8.25 -1.26 -3.47 115.22 117.77 1vyh n HIS 189 Ca 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1vyh n HIS 189 Cb 0.04 -0.34 -0.00 0.00 1.12 0.00 0.00 29.99 30.81 1vyh n HIS 189 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1vyh n ASP 190 N -1.32 4.87 -3.63 0.41 8.00 0.79 -4.54 116.55 121.13 1vyh n ASP 190 Ca 0.11 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.33 1vyh n ASP 190 Cb 0.29 0.54 -0.16 0.00 -0.02 0.00 0.00 41.12 41.77 1vyh n ASP 190 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1vyh s MET 191 N -2.01 0.32 0.14 -1.24 -1.94 -0.66 -2.54 119.30 111.37 1vyh s MET 191 Ca -0.00 -0.45 0.20 0.00 -1.71 0.00 0.00 55.69 53.72 1vyh s MET 191 Cb 0.00 -1.67 0.82 0.00 2.01 0.00 0.00 34.83 36.00 1vyh s MET 191 CO 0.02 -0.84 1.61 1.97 -0.01 0.00 0.00 175.02 177.78 1vyh n PHE 192 N 5.16 0.45 -1.60 -0.03 1.16 -1.02 -1.07 117.46 120.52 1vyh n PHE 192 Ca -0.06 0.17 0.02 0.00 -1.87 0.00 0.00 57.45 55.71 1vyh n PHE 192 Cb 0.45 -0.78 0.03 0.00 -1.61 0.00 0.00 39.48 37.57 1vyh n PHE 192 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 1vyh n ASP 193 N -1.90 0.61 -2.00 5.98 5.68 -1.26 -4.97 116.55 118.69 1vyh n ASP 193 Ca 0.03 -2.13 -0.17 0.00 -0.50 0.00 0.00 54.79 52.01 1vyh n ASP 193 Cb 0.21 -0.22 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 1vyh n ASP 193 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1vyh n PHE 194 N -0.34 -0.83 0.20 2.11 3.01 -0.23 -4.71 117.46 116.66 1vyh n PHE 194 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1vyh n PHE 194 Cb 0.65 -3.50 0.00 0.00 -0.01 0.00 0.00 39.48 36.62 1vyh n PHE 194 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 1vyh n LEU 195 N -2.51 -2.63 -4.80 4.37 7.94 -1.26 -0.51 117.00 117.59 1vyh n LEU 195 Ca -0.21 0.73 -0.37 0.00 -1.11 0.00 0.00 56.01 55.05 1vyh n LEU 195 Cb 0.66 2.54 -0.06 0.00 0.53 0.00 0.00 43.42 47.09 1vyh n LEU 195 CO 0.24 -0.12 0.46 -1.00 -1.11 0.00 0.00 177.39 175.86 1vyh s HIS 196 N -1.93 3.70 0.47 1.96 3.76 -1.26 -4.99 115.29 117.00 1vyh s HIS 196 Ca 0.00 1.49 -0.18 0.00 -0.15 0.00 0.00 55.06 56.22 1vyh s HIS 196 Cb 0.00 -2.69 -0.09 0.00 1.11 0.00 0.00 32.58 30.91 1vyh s HIS 196 CO 0.00 0.34 0.95 -0.51 -0.85 0.00 0.00 174.74 174.68 1vyh s LEU 197 N -1.86 3.77 0.76 0.89 1.43 -1.26 -2.43 118.68 119.99 1vyh s LEU 197 Ca 0.43 1.59 -0.06 0.00 -1.03 0.00 0.00 54.13 55.06 1vyh s LEU 197 Cb -0.18 -4.48 0.12 0.00 0.03 0.00 0.00 46.19 41.68 1vyh s LEU 197 CO 0.22 -0.47 1.06 0.42 0.23 0.00 0.00 176.35 177.80 1vyh s THR 198 N -2.41 2.18 0.17 5.49 -4.23 -1.05 -4.77 115.64 111.02 1vyh s THR 198 Ca 0.60 -0.38 -0.23 0.00 -1.18 0.00 0.00 61.69 60.50 1vyh s THR 198 Cb -0.10 -2.80 0.07 0.00 1.34 0.00 0.00 72.50 71.01 1vyh s THR 198 CO 0.24 0.00 1.60 1.23 -0.54 0.00 0.00 174.62 177.14 1vyh h GLY 199 N -0.75 -0.22 -0.29 3.99 0.00 -1.92 -1.13 103.07 102.75 1vyh h GLY 199 Ca -0.41 0.42 0.11 0.00 0.00 0.00 0.00 47.33 47.45 1vyh h GLY 199 CO 0.46 -0.21 -0.25 -1.33 0.00 0.00 0.00 176.54 175.21 1vyh h GLY 200 N -0.23 0.11 0.28 4.60 0.00 -1.94 -2.55 103.07 103.34 1vyh h GLY 200 Ca 0.18 0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.87 1vyh h GLY 200 CO -0.57 -0.22 -0.35 -1.33 0.00 0.00 0.00 176.54 174.07 1vyh h GLY 201 N -0.12 -0.62 0.75 4.60 0.00 -1.45 -2.10 103.07 104.15 1vyh h GLY 201 Ca 0.25 0.42 0.11 0.00 0.00 0.00 0.00 47.33 48.11 1vyh h GLY 201 CO -0.63 -0.24 0.53 -0.97 0.00 0.00 0.00 176.54 175.22 1vyh h TYR 202 N -0.52 0.75 -0.91 5.60 -1.99 -0.98 0.94 116.97 119.87 1vyh h TYR 202 Ca 0.05 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.83 1vyh h TYR 202 Cb 0.59 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 39.03 1vyh h TYR 202 CO -0.35 0.33 0.60 0.00 -0.00 0.00 0.00 178.16 178.73 1vyh h ALA 203 N 1.61 1.41 -0.02 3.88 0.00 -0.98 1.04 119.26 126.21 1vyh h ALA 203 Ca 0.38 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 1vyh h ALA 203 Cb 0.55 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1vyh h ALA 203 CO -0.15 0.50 -0.30 0.87 0.00 0.00 0.00 179.25 180.17 1vyh h LYS 204 N 1.15 0.03 0.15 0.00 1.57 -0.61 -2.69 116.57 116.18 1vyh h LYS 204 Ca 0.36 -0.01 -0.33 0.00 -1.87 0.00 0.00 60.65 58.80 1vyh h LYS 204 Cb -0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1vyh h LYS 204 CO -0.10 0.33 -1.65 0.82 -0.57 0.00 0.00 179.45 178.28 1vyh h ILE 205 N 0.03 1.03 0.17 1.86 1.08 -0.58 -3.41 117.51 117.69 1vyh h ILE 205 Ca 0.00 -2.65 -0.22 0.00 -0.39 0.00 0.00 64.86 61.60 1vyh h ILE 205 Cb 0.55 2.76 0.02 0.00 -3.07 0.00 0.00 36.82 37.08 1vyh h ILE 205 CO 0.04 0.83 -1.00 0.00 -0.69 0.00 0.00 178.15 177.33 1vyh h LYS 207 N -0.25 -0.18 -0.55 0.00 3.11 -1.69 0.47 116.57 117.47 1vyh h LYS 207 Ca -0.18 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.65 1vyh h LYS 207 Cb 1.77 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 33.01 1vyh h LYS 207 CO 0.17 -0.12 0.26 -1.00 -2.81 0.00 0.00 179.45 175.96 1vyh h PRO 208 N -0.18 0.80 -0.18 1.90 0.13 -1.79 -1.56 132.00 131.12 1vyh h PRO 208 Ca 0.11 -0.12 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1vyh h PRO 208 Cb 0.48 -0.14 -0.04 0.00 0.13 0.00 0.00 31.00 31.42 1vyh h PRO 208 CO -0.74 0.66 -0.10 1.25 -0.23 0.00 0.00 178.00 178.85 1vyh h LEU 209 N 0.75 -0.32 -0.19 1.56 5.85 -1.00 0.10 115.31 122.07 1vyh h LEU 209 Ca 0.19 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1vyh h LEU 209 Cb 0.13 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1vyh h LEU 209 CO -0.02 -0.13 -0.02 -0.74 -0.34 0.00 0.00 178.44 177.19 1vyh h HIS 210 N -0.08 -0.04 -0.78 1.25 2.76 0.02 -0.49 115.15 117.79 1vyh h HIS 210 Ca 0.10 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1vyh h HIS 210 Cb 0.23 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.19 1vyh h HIS 210 CO -0.25 -0.05 0.51 1.49 -1.30 0.00 0.00 177.93 178.34 1vyh h GLU 211 N 0.04 0.83 0.08 5.26 4.81 -0.79 -0.09 114.58 124.72 1vyh h GLU 211 Ca 0.09 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1vyh h GLU 211 Cb 0.12 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1vyh h GLU 211 CO -0.16 0.55 -0.04 1.25 -0.73 0.00 0.00 179.01 179.88 1vyh h LEU 212 N 0.85 -0.10 -0.16 1.64 5.85 -0.16 -3.05 115.31 120.18 1vyh h LEU 212 Ca 0.33 -0.45 0.04 0.00 0.84 0.00 0.00 57.88 58.65 1vyh h LEU 212 Cb 0.21 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 1vyh h LEU 212 CO -0.11 0.43 -0.46 0.40 -0.34 0.00 0.00 178.44 178.36 1vyh h ILE 213 N -0.66 0.09 -1.00 4.05 2.04 -0.51 -0.13 117.51 121.39 1vyh h ILE 213 Ca -0.01 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.17 1vyh h ILE 213 Cb 0.54 0.09 -0.15 0.00 -0.74 0.00 0.00 36.82 36.56 1vyh h ILE 213 CO 0.02 0.00 0.57 0.24 0.00 0.00 0.00 178.15 178.98 1vyh h MET 214 N -0.50 0.32 0.91 2.37 2.86 -1.12 0.34 114.93 120.11 1vyh h MET 214 Ca 0.07 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1vyh h MET 214 Cb 0.64 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1vyh h MET 214 CO -0.43 0.21 -0.49 0.37 1.06 0.00 0.00 176.91 177.63 1vyh h GLN 215 N 0.33 -1.24 -0.98 1.72 4.15 -0.95 -1.30 115.11 116.84 1vyh h GLN 215 Ca 0.73 0.08 0.18 0.00 0.77 0.00 0.00 58.65 60.41 1vyh h GLN 215 Cb 1.66 0.28 -0.09 0.00 0.21 0.00 0.00 27.48 29.54 1vyh h GLN 215 CO -0.60 -0.83 0.61 -0.07 -1.93 0.00 0.00 178.83 176.01 1vyh h LEU 216 N -1.29 0.73 -0.13 -2.39 4.07 0.67 -1.68 115.31 115.31 1vyh h LEU 216 Ca -0.12 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.86 1vyh h LEU 216 Cb 1.01 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.68 1vyh h LEU 216 CO 0.17 0.30 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.65 1vyh h LEU 217 N 0.74 0.31 -0.01 1.67 3.38 -0.66 -2.93 115.31 117.80 1vyh h LEU 217 Ca 0.54 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1vyh h LEU 217 Cb 0.87 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1vyh h LEU 217 CO -0.31 0.72 0.00 -0.62 0.09 0.00 0.00 178.44 178.32 1vyh n GLU 218 N -4.62 0.00 0.14 1.13 -0.58 -0.50 -3.09 120.64 113.14 1vyh n GLU 218 Ca -0.06 0.46 -0.13 0.00 -0.42 0.00 0.00 57.16 57.01 1vyh n GLU 218 Cb 0.33 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.62 1vyh n GLU 218 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1vyh h GLU 219 N 0.00 -0.38 -2.89 3.49 9.09 -1.21 -3.46 114.58 119.23 1vyh h GLU 219 Ca 0.00 0.03 -0.17 0.00 0.05 0.00 0.00 59.36 59.26 1vyh h GLU 219 Cb 0.04 0.09 -0.29 0.00 -1.65 0.00 0.00 28.75 26.94 1vyh h GLU 219 CO 0.00 -0.04 -0.43 0.99 0.05 0.00 0.00 179.01 179.57 1vyh s THR 220 N -4.50 -0.09 -0.50 -1.06 2.01 -1.18 -5.09 115.64 105.24 1vyh s THR 220 Ca -0.14 0.15 0.12 0.00 0.31 0.00 0.00 61.69 62.12 1vyh s THR 220 Cb 0.02 -0.46 0.33 0.00 0.01 0.00 0.00 72.50 72.40 1vyh s THR 220 CO 0.53 0.06 1.26 -0.81 -0.69 0.00 0.00 174.62 174.97 1vyh n PRO 221 N 4.38 2.78 -3.41 4.92 -0.04 -1.26 -4.92 135.00 137.44 1vyh n PRO 221 Ca -0.23 -2.25 -0.43 0.00 -0.04 0.00 0.00 63.50 60.55 1vyh n PRO 221 Cb 0.53 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 1vyh n PRO 221 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1vyh s GLU 222 N -1.71 3.87 0.00 0.54 -6.30 -1.26 -5.22 118.70 108.62 1vyh s GLU 222 Ca 0.26 -3.11 0.25 0.00 -2.50 0.00 0.00 54.97 49.87 1vyh s GLU 222 Cb 0.18 -4.38 0.47 0.00 0.00 0.00 0.00 34.13 30.40 1vyh s GLU 222 CO 0.10 -1.25 1.42 0.39 0.02 0.00 0.00 175.26 175.94