#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vrq s MET 2 N 0.00 3.29 -0.31 2.12 1.00 -1.26 -4.84 119.30 119.30 1vrq s MET 2 Ca 0.00 2.19 -0.08 0.00 0.00 0.00 0.00 55.69 57.80 1vrq s MET 2 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 34.83 32.51 1vrq s MET 2 CO 0.00 -1.06 0.12 -1.17 0.00 0.00 0.00 175.02 172.91 1vrq s LEU 3 N -3.36 4.02 -0.17 -0.03 2.96 -1.26 -1.13 118.68 119.70 1vrq s LEU 3 Ca 0.69 -0.67 -0.07 0.00 -0.22 0.00 0.00 54.13 53.87 1vrq s LEU 3 Cb -0.39 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1vrq s LEU 3 CO 0.47 -0.21 0.05 -0.63 -1.32 0.00 0.00 176.35 174.71 1vrq s ILE 4 N 1.55 4.68 -0.59 6.68 1.01 0.30 -4.89 121.20 129.94 1vrq s ILE 4 Ca 0.03 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.41 1vrq s ILE 4 Cb -0.17 -3.09 0.09 0.00 0.01 0.00 0.00 42.46 39.29 1vrq s ILE 4 CO 0.04 0.48 0.74 -0.70 0.00 0.00 0.00 174.94 175.50 1vrq s GLU 5 N 0.26 3.07 0.06 2.79 2.12 -1.26 -0.79 118.70 124.96 1vrq s GLU 5 Ca 0.03 -1.15 -0.31 0.00 0.36 0.00 0.00 54.97 53.91 1vrq s GLU 5 Cb -0.12 -4.23 -0.05 0.00 0.26 0.00 0.00 34.13 29.98 1vrq s GLU 5 CO 0.01 -1.54 1.18 0.00 -0.54 0.00 0.00 175.26 174.36 1vrq h PRO 7 N 6.76 0.00 0.02 0.00 0.11 -1.96 0.29 132.00 137.22 1vrq h PRO 7 Ca -0.42 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.35 1vrq h PRO 7 Cb 1.21 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 1vrq h PRO 7 CO 0.80 0.00 -1.90 0.09 -0.21 0.00 0.00 178.00 176.78 1vrq n ASN 8 N -4.08 1.94 -0.16 -2.05 3.02 -1.26 -4.65 115.26 108.02 1vrq n ASN 8 Ca 0.07 0.31 0.10 0.00 -0.03 0.00 0.00 54.58 55.04 1vrq n ASN 8 Cb 0.54 -0.85 -0.08 0.00 -0.61 0.00 0.00 39.78 38.77 1vrq n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vrq n GLY 10 N 1.47 -1.83 3.70 0.00 0.00 1.00 -4.89 105.19 104.64 1vrq n GLY 10 Ca 0.06 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 1vrq n GLY 10 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1vrq s PRO 11 N 0.00 4.17 0.03 1.61 0.02 -1.26 -1.05 135.00 138.52 1vrq s PRO 11 Ca 0.00 2.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 1vrq s PRO 11 Cb 0.00 -3.37 -0.01 0.00 0.02 0.00 0.00 34.50 31.13 1vrq s PRO 11 CO 0.00 -0.74 0.08 1.03 -0.33 0.00 0.00 177.00 177.04 1vrq s ARG 12 N 1.98 0.53 0.55 5.54 1.81 0.03 -4.94 118.95 124.45 1vrq s ARG 12 Ca 0.75 -0.70 -0.21 0.00 -1.72 0.00 0.00 55.73 53.85 1vrq s ARG 12 Cb -0.45 0.21 -0.05 0.00 -0.45 0.00 0.00 34.95 34.21 1vrq s ARG 12 CO 0.33 -0.13 1.24 -0.80 -0.68 0.00 0.00 175.30 175.27 1vrq s ASN 13 N -1.95 5.42 0.36 0.23 0.01 -1.26 -0.54 114.94 117.21 1vrq s ASN 13 Ca -0.07 2.48 0.12 0.00 -0.71 0.00 0.00 52.86 54.68 1vrq s ASN 13 Cb -0.03 -2.61 0.93 0.00 0.41 0.00 0.00 41.25 39.95 1vrq s ASN 13 CO -0.03 -1.44 1.79 1.05 -1.51 0.00 0.00 177.10 176.96 1vrq h GLU 14 N 1.31 0.56 0.00 -0.60 4.11 -1.45 -0.80 114.58 117.70 1vrq h GLU 14 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1vrq h GLU 14 Cb 1.29 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1vrq h GLU 14 CO 0.57 0.37 0.00 0.27 0.07 0.00 0.00 179.01 180.29 1vrq n ASN 15 N -4.67 0.00 -0.91 3.06 6.94 -1.26 -1.25 115.26 117.18 1vrq n ASN 15 Ca 0.23 -1.21 0.12 0.00 -0.02 0.00 0.00 54.58 53.70 1vrq n ASN 15 Cb 0.69 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 38.26 1vrq n ASN 15 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1vrq n GLU 16 N -0.58 2.26 -4.39 -3.83 1.02 -0.31 -4.91 120.64 109.90 1vrq n GLU 16 Ca 0.02 -1.82 -0.20 0.00 -0.02 0.00 0.00 57.16 55.14 1vrq n GLU 16 Cb 0.01 -1.46 -0.10 0.00 -0.02 0.00 0.00 31.44 29.87 1vrq n GLU 16 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1vrq s PHE 17 N -2.00 1.83 0.03 -0.32 0.08 -0.38 -1.33 117.98 115.89 1vrq s PHE 17 Ca 0.29 -0.70 0.08 0.00 0.12 0.00 0.00 56.93 56.72 1vrq s PHE 17 Cb 0.20 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 1vrq s PHE 17 CO 0.30 0.25 -0.25 0.15 -0.10 0.00 0.00 175.22 175.57 1vrq s LYS 18 N -3.73 1.73 0.18 0.44 1.02 -0.05 -4.88 119.74 114.46 1vrq s LYS 18 Ca 0.27 -1.02 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 1vrq s LYS 18 Cb 0.03 -1.85 -0.08 0.00 -0.52 0.00 0.00 37.83 35.42 1vrq s LYS 18 CO 0.10 0.48 0.96 -0.47 -0.92 0.00 0.00 175.35 175.51 1vrq s TYR 19 N -0.76 3.88 -0.28 3.18 5.04 -1.26 -1.77 117.35 125.37 1vrq s TYR 19 Ca 0.10 1.84 0.08 0.00 -2.44 0.00 0.00 57.07 56.65 1vrq s TYR 19 Cb -0.10 -3.04 0.18 0.00 0.35 0.00 0.00 41.96 39.35 1vrq s TYR 19 CO 0.01 0.25 1.13 0.41 -1.34 0.00 0.00 175.55 176.02 1vrq n GLY 20 N 1.83 3.36 7.00 8.97 0.00 0.01 -4.94 105.19 121.42 1vrq n GLY 20 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1vrq n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vrq n GLY 21 N -0.40 -0.12 3.67 -0.02 0.00 -1.25 -4.58 105.19 102.49 1vrq n GLY 21 Ca 0.08 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1vrq n GLY 21 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vrq n GLU 22 N -0.23 1.85 -3.06 1.61 2.13 -1.26 -0.32 120.64 121.36 1vrq n GLU 22 Ca 0.00 0.65 -0.21 0.00 0.66 0.00 0.00 57.16 58.26 1vrq n GLU 22 Cb 0.00 -2.22 0.01 0.00 0.27 0.00 0.00 31.44 29.50 1vrq n GLU 22 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vrq s ALA 23 N -1.14 4.02 -1.19 4.31 0.00 -0.19 -4.56 121.76 123.01 1vrq s ALA 23 Ca 0.58 -1.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1vrq s ALA 23 Cb -0.57 -1.93 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1vrq s ALA 23 CO 0.60 -0.34 0.06 0.72 0.00 0.00 0.00 175.76 176.80 1vrq n HIS 24 N -1.98 -0.77 -3.68 0.00 8.25 -1.26 -4.94 115.22 110.85 1vrq n HIS 24 Ca 0.03 0.05 -0.37 0.00 -0.26 0.00 0.00 57.72 57.17 1vrq n HIS 24 Cb 0.58 -3.07 -0.08 0.00 1.12 0.00 0.00 29.99 28.53 1vrq n HIS 24 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1vrq s VAL 25 N -2.75 3.95 0.46 1.59 1.01 -1.26 -5.08 120.40 118.32 1vrq s VAL 25 Ca 0.03 -3.17 -0.20 0.00 0.00 0.00 0.00 61.98 58.63 1vrq s VAL 25 Cb -0.01 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 1vrq s VAL 25 CO 0.04 -0.94 0.98 0.00 0.00 0.00 0.00 175.10 175.18 1vrq s ALA 26 N -0.38 2.99 0.36 5.51 0.00 -1.26 -5.01 121.76 123.96 1vrq s ALA 26 Ca 0.20 0.43 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 1vrq s ALA 26 Cb -0.17 -3.17 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 1vrq s ALA 26 CO -0.06 -0.04 1.47 -0.47 0.00 0.00 0.00 175.76 176.66 1vrq s TYR 27 N -2.18 2.69 0.19 0.00 5.04 -1.26 -4.89 117.35 116.93 1vrq s TYR 27 Ca 0.63 1.16 -0.33 0.00 -2.44 0.00 0.00 57.07 56.09 1vrq s TYR 27 Cb -0.11 -3.97 -0.14 0.00 0.35 0.00 0.00 41.96 38.09 1vrq s TYR 27 CO 0.17 -2.87 1.50 -2.30 -1.34 0.00 0.00 175.55 170.71 1vrq n PRO 28 N 0.77 2.06 -0.21 4.97 -0.02 -1.26 -4.85 135.00 136.45 1vrq n PRO 28 Ca 0.02 0.74 0.14 0.00 -2.02 0.00 0.00 63.50 62.38 1vrq n PRO 28 Cb 0.39 -2.46 0.46 0.00 -0.02 0.00 0.00 33.50 31.88 1vrq n PRO 28 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1vrq h GLU 29 N 5.18 0.50 -1.62 -0.52 4.57 -2.05 -3.35 114.58 117.28 1vrq h GLU 29 Ca -0.45 -0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 57.47 1vrq h GLU 29 Cb 1.27 -0.11 -0.27 0.00 -0.16 0.00 0.00 28.75 29.47 1vrq h GLU 29 CO 0.83 0.33 -0.58 0.34 -1.18 0.00 0.00 179.01 178.76 1vrq s ASP 30 N -5.86 0.21 0.32 1.04 2.15 -1.26 -5.04 116.67 108.23 1vrq s ASP 30 Ca -0.09 -0.96 0.08 0.00 0.43 0.00 0.00 52.55 52.02 1vrq s ASP 30 Cb 0.21 1.10 0.83 0.00 -0.30 0.00 0.00 42.92 44.76 1vrq s ASP 30 CO 0.78 -0.27 1.77 -0.65 -0.17 0.00 0.00 175.17 176.62 1vrq h PRO 31 N 7.43 0.65 0.00 4.34 0.11 -1.97 0.86 132.00 143.41 1vrq h PRO 31 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 1vrq h PRO 31 Cb 1.11 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1vrq h PRO 31 CO 0.20 0.43 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.47 1vrq h ASN 32 N 0.67 0.00 0.67 -2.05 2.35 -1.96 -1.12 115.58 114.15 1vrq h ASN 32 Ca 0.59 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.34 1vrq h ASN 32 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1vrq h ASN 32 CO -0.39 0.03 -0.09 0.00 -1.65 0.00 0.00 177.43 175.34 1vrq n ALA 33 N -2.14 2.62 -2.71 -0.83 0.00 0.29 -4.84 120.51 112.90 1vrq n ALA 33 Ca -0.01 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 52.91 1vrq n ALA 33 Cb 0.20 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.20 1vrq n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vrq s LEU 34 N -2.76 4.35 0.94 0.00 1.43 -0.42 -5.10 118.68 117.12 1vrq s LEU 34 Ca 0.21 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.79 1vrq s LEU 34 Cb 0.19 -2.84 0.15 0.00 0.03 0.00 0.00 46.19 43.73 1vrq s LEU 34 CO 0.52 0.20 1.12 -0.94 0.23 0.00 0.00 176.35 177.49 1vrq s SER 35 N -1.85 3.24 0.41 2.29 1.04 -1.26 -4.79 113.70 112.78 1vrq s SER 35 Ca 0.31 1.04 0.11 0.00 0.48 0.00 0.00 55.95 57.88 1vrq s SER 35 Cb -0.13 -1.64 0.86 0.00 0.10 0.00 0.00 66.02 65.21 1vrq s SER 35 CO 0.18 -2.73 1.96 0.44 0.98 0.00 0.00 173.24 174.07 1vrq h ASP 36 N -1.62 0.19 -0.06 7.02 5.19 -1.98 -0.84 116.42 124.32 1vrq h ASP 36 Ca -0.52 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 55.84 1vrq h ASP 36 Cb 1.33 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.79 1vrq h ASP 36 CO 0.61 0.32 -0.04 0.50 -3.12 0.00 0.00 179.24 177.51 1vrq h LYS 37 N 0.20 0.12 -0.73 3.56 3.64 -1.99 -1.09 116.57 120.29 1vrq h LYS 37 Ca 0.04 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1vrq h LYS 37 Cb 0.30 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1vrq h LYS 37 CO 0.02 0.53 0.37 0.93 -2.27 0.00 0.00 179.45 179.03 1vrq h GLU 38 N -0.28 1.02 -0.25 1.90 5.08 -1.86 -1.76 114.58 118.43 1vrq h GLU 38 Ca 0.01 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1vrq h GLU 38 Cb 0.50 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1vrq h GLU 38 CO 0.01 0.77 -0.26 2.35 -1.00 0.00 0.00 179.01 180.87 1vrq h TRP 39 N 1.02 0.54 -0.15 4.33 -0.00 -1.10 -2.40 115.95 118.19 1vrq h TRP 39 Ca 0.25 -0.12 -0.07 0.00 -0.00 0.00 0.00 58.89 58.96 1vrq h TRP 39 Cb 0.07 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 29.08 1vrq h TRP 39 CO 0.01 0.70 -0.23 0.66 -0.00 0.00 0.00 178.44 179.58 1vrq h SER 40 N 0.42 0.25 -0.32 2.65 4.64 -0.34 -2.09 113.55 118.77 1vrq h SER 40 Ca 0.06 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 1vrq h SER 40 Cb 0.68 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1vrq h SER 40 CO 0.05 0.50 0.01 0.03 -0.87 0.00 0.00 176.83 176.55 1vrq h ARG 41 N 0.24 0.56 -0.59 4.77 -0.00 -0.91 -0.35 114.38 118.09 1vrq h ARG 41 Ca 0.04 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.98 59.29 1vrq h ARG 41 Cb 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.44 1vrq h ARG 41 CO 0.04 0.68 0.15 -0.92 0.00 0.00 0.00 179.97 179.92 1vrq h TYR 42 N 0.36 0.94 -0.07 3.04 3.20 -1.24 0.16 116.97 123.36 1vrq h TYR 42 Ca 0.09 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1vrq h TYR 42 Cb 0.42 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.42 1vrq h TYR 42 CO 0.03 0.77 -0.21 -0.07 -1.64 0.00 0.00 178.16 177.04 1vrq h LEU 43 N 0.87 0.30 -0.77 2.82 3.38 -1.23 -3.41 115.31 117.28 1vrq h LEU 43 Ca 0.19 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1vrq h LEU 43 Cb 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1vrq h LEU 43 CO -0.00 0.87 0.00 0.49 0.09 0.00 0.00 178.44 179.88 1vrq n PHE 44 N -4.53 0.00 -4.28 1.13 3.72 -0.16 -5.04 117.46 108.30 1vrq n PHE 44 Ca -0.08 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 56.98 1vrq n PHE 44 Cb 0.43 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.85 1vrq n PHE 44 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1vrq s TYR 45 N -0.03 3.06 0.06 1.38 2.02 0.04 -5.03 117.35 118.86 1vrq s TYR 45 Ca 0.00 -0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 56.31 1vrq s TYR 45 Cb 0.00 -2.00 0.01 0.00 -0.40 0.00 0.00 41.96 39.57 1vrq s TYR 45 CO 0.00 -0.05 0.23 1.03 -1.57 0.00 0.00 175.55 175.19 1vrq s ARG 46 N 0.50 0.80 0.66 -0.62 1.81 -1.26 -4.66 118.95 116.17 1vrq s ARG 46 Ca -0.02 -0.71 -0.16 0.00 -1.72 0.00 0.00 55.73 53.12 1vrq s ARG 46 Cb -0.14 0.33 -0.00 0.00 -0.45 0.00 0.00 34.95 34.69 1vrq s ARG 46 CO 0.02 -0.25 1.15 0.20 -0.68 0.00 0.00 175.30 175.74 1vrq s GLY 47 N -2.39 2.33 -0.29 -3.53 0.00 -1.26 -4.97 107.32 97.21 1vrq s GLY 47 Ca -0.01 0.72 0.20 0.00 0.00 0.00 0.00 44.72 45.63 1vrq s GLY 47 CO -0.07 1.09 1.04 -2.01 0.00 0.00 0.00 173.10 173.15 1vrq n ASN 48 N -2.27 1.56 -4.63 1.64 5.15 -1.26 -4.78 115.26 110.67 1vrq n ASN 48 Ca 0.12 -2.37 -0.45 0.00 -0.60 0.00 0.00 54.58 51.28 1vrq n ASN 48 Cb 0.51 -0.50 -0.02 0.00 -0.53 0.00 0.00 39.78 39.24 1vrq n ASN 48 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1vrq n LYS 49 N -0.35 1.67 -3.42 1.20 3.00 -1.26 -4.96 118.16 114.04 1vrq n LYS 49 Ca 0.09 0.59 -0.44 0.00 -0.00 0.00 0.00 58.31 58.54 1vrq n LYS 49 Cb 0.81 -2.10 -0.03 0.00 0.00 0.00 0.00 35.03 33.70 1vrq n LYS 49 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1vrq s LYS 50 N -1.10 3.48 0.00 1.64 2.20 -1.26 -4.74 119.74 119.96 1vrq s LYS 50 Ca 0.63 -2.63 0.00 0.00 -0.36 0.00 0.00 55.97 53.61 1vrq s LYS 50 Cb -0.69 -4.29 0.00 0.00 -1.51 0.00 0.00 37.83 31.34 1vrq s LYS 50 CO 0.56 -1.26 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 1vrq n GLY 51 N 3.61 0.19 3.61 5.54 0.00 -1.26 -4.92 105.19 111.97 1vrq n GLY 51 Ca 0.15 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1vrq n GLY 51 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vrq s ILE 52 N -3.85 3.07 -0.05 -0.61 1.01 -1.26 -0.67 121.20 118.83 1vrq s ILE 52 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.78 1vrq s ILE 52 Cb 0.00 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 1vrq s ILE 52 CO 0.00 -0.04 -0.24 0.12 0.00 0.00 0.00 174.94 174.78 1vrq s PHE 53 N 7.33 2.45 -0.51 3.97 5.36 0.15 -4.88 117.98 131.85 1vrq s PHE 53 Ca 0.96 -0.56 -0.24 0.00 -0.96 0.00 0.00 56.93 56.13 1vrq s PHE 53 Cb -0.34 -1.58 0.04 0.00 -0.34 0.00 0.00 43.02 40.79 1vrq s PHE 53 CO 0.36 -0.11 0.88 0.00 -1.46 0.00 0.00 175.22 174.89 1vrq s ALA 54 N -0.35 3.22 0.44 11.12 0.00 -1.26 -1.34 121.76 133.59 1vrq s ALA 54 Ca 0.02 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 50.86 1vrq s ALA 54 Cb -0.12 -3.63 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 1vrq s ALA 54 CO 0.02 -2.20 0.05 -1.83 0.00 0.00 0.00 175.76 171.79 1vrq s GLU 55 N 3.67 2.00 0.10 0.00 -1.05 0.29 -1.02 118.70 122.70 1vrq s GLU 55 Ca 0.30 -2.22 0.09 0.00 -0.15 0.00 0.00 54.97 52.99 1vrq s GLU 55 Cb -0.13 -1.18 -0.04 0.00 -0.44 0.00 0.00 34.13 32.35 1vrq s GLU 55 CO 0.20 -0.32 -0.24 1.03 0.95 0.00 0.00 175.26 176.88 1vrq s ARG 56 N -3.80 1.32 0.03 -4.83 0.52 0.56 -0.65 118.95 112.10 1vrq s ARG 56 Ca 0.20 -1.22 -0.02 0.00 -0.52 0.00 0.00 55.73 54.17 1vrq s ARG 56 Cb 0.04 -1.67 -0.02 0.00 0.52 0.00 0.00 34.95 33.82 1vrq s ARG 56 CO 0.11 0.40 0.01 -1.58 0.02 0.00 0.00 175.30 174.26 1vrq s TRP 57 N -1.06 0.27 -0.07 -0.53 0.52 -0.21 -0.80 118.94 117.07 1vrq s TRP 57 Ca 0.10 -0.58 0.01 0.00 0.02 0.00 0.00 56.10 55.65 1vrq s TRP 57 Cb -0.10 -0.20 0.02 0.00 -1.15 0.00 0.00 33.47 32.04 1vrq s TRP 57 CO 0.05 -0.27 -0.07 0.54 0.02 0.00 0.00 176.95 177.22 1vrq s VAL 58 N -2.11 0.79 -1.56 4.03 0.11 -0.73 -1.11 120.40 119.82 1vrq s VAL 58 Ca -0.10 -0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 58.61 1vrq s VAL 58 Cb -0.05 -0.80 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 1vrq s VAL 58 CO -0.03 0.30 2.69 1.57 -3.33 0.00 0.00 175.10 176.29 1vrq n HIS 59 N 4.30 2.83 0.11 1.54 -0.00 -0.93 -0.87 115.22 122.20 1vrq n HIS 59 Ca -0.19 -3.04 0.16 0.00 0.46 0.00 0.00 57.72 55.10 1vrq n HIS 59 Cb 0.51 -2.51 0.68 0.00 -0.12 0.00 0.00 29.99 28.55 1vrq n HIS 59 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1vrq h SER 60 N 5.39 0.00 -0.39 0.26 4.64 -1.86 0.55 113.55 122.14 1vrq h SER 60 Ca 0.76 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.08 1vrq h SER 60 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1vrq h SER 60 CO 1.83 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.40 1vrq n GLY 61 N -1.59 0.86 0.00 -0.77 0.00 -0.45 -4.63 105.19 98.62 1vrq n GLY 61 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1vrq n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vrq n GLY 62 N 1.15 3.06 0.01 -0.02 0.00 0.58 -4.97 105.19 105.00 1vrq n GLY 62 Ca 0.14 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.87 1vrq n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vrq n ARG 64 N -1.60 -1.72 -3.89 0.00 1.74 0.16 -4.98 116.66 106.37 1vrq n ARG 64 Ca 0.06 0.98 -0.32 0.00 -0.77 0.00 0.00 57.85 57.80 1vrq n ARG 64 Cb 0.30 -5.60 -0.04 0.00 -1.02 0.00 0.00 32.46 26.09 1vrq n ARG 64 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1vrq s LYS 65 N -4.87 3.46 0.07 5.56 -0.14 -1.26 -4.76 119.74 117.81 1vrq s LYS 65 Ca 0.00 -0.35 -0.15 0.00 -1.36 0.00 0.00 55.97 54.11 1vrq s LYS 65 Cb 0.00 -3.05 -0.06 0.00 -1.68 0.00 0.00 37.83 33.03 1vrq s LYS 65 CO 0.00 0.63 0.48 -1.58 -0.76 0.00 0.00 175.35 174.12 1vrq s TRP 66 N -1.43 3.69 0.24 3.18 0.52 -1.26 -2.18 118.94 121.70 1vrq s TRP 66 Ca 0.32 1.04 -0.13 0.00 0.02 0.00 0.00 56.10 57.35 1vrq s TRP 66 Cb -0.13 -2.33 -0.00 0.00 -1.15 0.00 0.00 33.47 29.86 1vrq s TRP 66 CO 0.23 0.55 0.47 -0.59 0.02 0.00 0.00 176.95 177.64 1vrq s PHE 67 N -1.24 0.35 0.32 -1.98 -0.12 -0.27 -4.14 117.98 110.89 1vrq s PHE 67 Ca 0.30 -0.71 0.08 0.00 -0.05 0.00 0.00 56.93 56.55 1vrq s PHE 67 Cb -0.16 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1vrq s PHE 67 CO 0.17 -0.98 0.17 -0.80 -0.05 0.00 0.00 175.22 173.73 1vrq s ASN 68 N -3.01 4.96 0.03 1.98 0.01 0.96 -1.04 114.94 118.82 1vrq s ASN 68 Ca 0.22 -0.60 -0.26 0.00 -0.71 0.00 0.00 52.86 51.51 1vrq s ASN 68 Cb -0.00 -0.91 0.06 0.00 0.41 0.00 0.00 41.25 40.80 1vrq s ASN 68 CO 0.08 -0.23 0.59 0.00 -1.51 0.00 0.00 177.10 176.03 1vrq s ALA 69 N -2.33 -1.53 -0.23 0.60 0.00 0.18 -1.03 121.76 117.42 1vrq s ALA 69 Ca 0.37 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 53.13 1vrq s ALA 69 Cb -0.05 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 1vrq s ALA 69 CO 0.24 -0.49 0.01 -0.51 0.00 0.00 0.00 175.76 175.01 1vrq s LEU 70 N -1.78 3.18 -0.00 0.00 1.43 0.51 -0.54 118.68 121.47 1vrq s LEU 70 Ca -0.07 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1vrq s LEU 70 Cb -0.01 -1.83 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 1vrq s LEU 70 CO 0.01 -0.01 0.01 -0.60 0.23 0.00 0.00 176.35 175.99 1vrq s ARG 71 N 1.44 0.03 -0.26 1.70 3.52 -0.45 0.36 118.95 125.30 1vrq s ARG 71 Ca 0.05 -0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.33 1vrq s ARG 71 Cb -0.15 0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.26 1vrq s ARG 71 CO 0.00 -0.01 1.17 0.34 -0.81 0.00 0.00 175.30 176.00 1vrq s ASP 72 N -0.10 6.90 0.00 -2.12 -1.08 -0.40 0.33 116.67 120.20 1vrq s ASP 72 Ca -0.01 1.30 0.20 0.00 -0.52 0.00 0.00 52.55 53.52 1vrq s ASP 72 Cb -0.01 -2.54 1.22 0.00 -1.46 0.00 0.00 42.92 40.13 1vrq s ASP 72 CO -0.00 -0.87 1.61 0.35 0.52 0.00 0.00 175.17 176.78 1vrq n THR 73 N 5.74 0.00 -0.13 1.71 -2.24 0.15 0.02 114.28 119.53 1vrq n THR 73 Ca 0.13 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.64 1vrq n THR 73 Cb 0.46 -0.67 -0.09 0.00 -2.10 0.00 0.00 70.33 67.93 1vrq n THR 73 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1vrq n VAL 74 N -0.99 1.43 0.74 2.28 0.31 -1.26 -4.59 118.33 116.25 1vrq n VAL 74 Ca 0.15 -0.38 0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1vrq n VAL 74 Cb 0.07 -1.82 0.08 0.00 -0.91 0.00 0.00 33.84 31.26 1vrq n VAL 74 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1vrq n SER 75 N -4.09 0.64 0.00 4.52 3.41 -1.22 -4.95 113.62 111.93 1vrq n SER 75 Ca -0.51 -0.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1vrq n SER 75 Cb 0.87 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.44 1vrq n SER 75 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1vrq n TYR 76 N -1.79 0.00 -2.53 7.33 4.01 0.10 -4.98 117.16 119.30 1vrq n TYR 76 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 1vrq n TYR 76 Cb 0.40 -0.91 -0.03 0.00 -0.31 0.00 0.00 39.34 38.48 1vrq n TYR 76 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1vrq s GLU 77 N -0.89 4.47 0.20 -0.72 2.12 -1.23 -4.75 118.70 117.90 1vrq s GLU 77 Ca 0.00 1.64 -0.30 0.00 0.36 0.00 0.00 54.97 56.67 1vrq s GLU 77 Cb 0.00 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.90 1vrq s GLU 77 CO 0.00 -0.21 0.97 -0.06 -0.54 0.00 0.00 175.26 175.42 1vrq s PHE 78 N 1.18 3.88 -0.08 5.30 0.40 -1.26 -1.27 117.98 126.13 1vrq s PHE 78 Ca 0.56 1.85 0.14 0.00 -0.60 0.00 0.00 56.93 58.87 1vrq s PHE 78 Cb -0.26 -3.04 -0.20 0.00 0.51 0.00 0.00 43.02 40.03 1vrq s PHE 78 CO 0.28 0.25 0.19 1.63 0.70 0.00 0.00 175.22 178.27 1vrq n LYS 79 N 1.94 1.09 -3.57 0.44 4.76 0.16 -4.96 118.16 118.02 1vrq n LYS 79 Ca -0.00 -0.07 -0.06 0.00 -2.87 0.00 0.00 58.31 55.31 1vrq n LYS 79 Cb 0.47 -1.35 -0.02 0.00 -1.84 0.00 0.00 35.03 32.29 1vrq n LYS 79 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vrq s ALA 80 N -2.69 -2.00 -0.02 7.82 0.00 -1.12 -4.96 121.76 118.80 1vrq s ALA 80 Ca -0.06 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.36 1vrq s ALA 80 Cb 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1vrq s ALA 80 CO 0.59 -0.61 -0.04 0.08 0.00 0.00 0.00 175.76 175.78 1vrq s VAL 81 N -2.55 0.40 0.04 0.00 1.01 -1.26 -0.37 120.40 117.68 1vrq s VAL 81 Ca 0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1vrq s VAL 81 Cb -0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 1vrq s VAL 81 CO -0.06 0.15 0.15 -0.72 0.00 0.00 0.00 175.10 174.62 1vrq s TYR 82 N 0.32 0.12 0.74 5.22 -0.85 -0.19 -4.97 117.35 117.73 1vrq s TYR 82 Ca -0.03 -0.37 -0.11 0.00 -0.52 0.00 0.00 57.07 56.03 1vrq s TYR 82 Cb -0.07 -0.08 0.04 0.00 0.38 0.00 0.00 41.96 42.23 1vrq s TYR 82 CO -0.00 -0.40 1.08 1.03 -1.52 0.00 0.00 175.55 175.73 1vrq s ARG 83 N -2.58 2.54 0.40 -3.49 0.52 -1.26 -0.03 118.95 115.06 1vrq s ARG 83 Ca -0.05 1.01 -0.26 0.00 -0.52 0.00 0.00 55.73 55.91 1vrq s ARG 83 Cb -0.01 -1.94 -0.09 0.00 0.52 0.00 0.00 34.95 33.43 1vrq s ARG 83 CO -0.04 -1.39 1.28 0.00 0.02 0.00 0.00 175.30 175.16 1vrq s ALA 84 N -2.99 3.26 0.00 2.13 0.00 -1.26 -2.59 121.76 120.31 1vrq s ALA 84 Ca 0.60 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1vrq s ALA 84 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.50 1vrq s ALA 84 CO 0.55 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1vrq n GLY 85 N 0.69 2.96 3.79 0.00 0.00 -1.26 -5.03 105.19 106.33 1vrq n GLY 85 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1vrq n GLY 85 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vrq s GLU 86 N -0.13 4.39 0.43 1.61 2.02 -1.07 -5.02 118.70 120.93 1vrq s GLU 86 Ca 0.00 1.32 -0.24 0.00 0.02 0.00 0.00 54.97 56.07 1vrq s GLU 86 Cb 0.00 -2.58 -0.08 0.00 0.10 0.00 0.00 34.13 31.57 1vrq s GLU 86 CO 0.00 0.10 1.14 0.00 0.02 0.00 0.00 175.26 176.52 1vrq s ALA 87 N -1.77 3.05 -0.01 5.21 0.00 -1.26 -4.92 121.76 122.06 1vrq s ALA 87 Ca 0.55 0.88 -0.33 0.00 0.00 0.00 0.00 51.96 53.07 1vrq s ALA 87 Cb -0.17 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.49 1vrq s ALA 87 CO 0.22 -0.51 1.89 -2.13 0.00 0.00 0.00 175.76 175.23 1vrq n ARG 88 N -0.22 2.45 -1.56 0.00 0.63 -1.26 -4.94 116.66 111.76 1vrq n ARG 88 Ca 0.06 0.90 -0.33 0.00 -0.92 0.00 0.00 57.85 57.56 1vrq n ARG 88 Cb 0.48 -2.78 0.07 0.00 0.45 0.00 0.00 32.46 30.68 1vrq n ARG 88 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1vrq s PRO 89 N 3.88 2.46 -0.35 -0.14 0.04 -1.26 -5.01 135.00 134.61 1vrq s PRO 89 Ca 0.90 1.48 -0.08 0.00 0.04 0.00 0.00 61.00 63.33 1vrq s PRO 89 Cb -0.59 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.08 1vrq s PRO 89 CO 0.47 -1.53 0.14 -0.65 0.04 0.00 0.00 177.00 175.47 1vrq s GLN 90 N -4.15 2.69 0.00 4.56 1.11 -1.26 -5.13 119.66 117.47 1vrq s GLN 90 Ca 0.68 -1.15 0.07 0.00 0.01 0.00 0.00 55.36 54.97 1vrq s GLN 90 Cb -0.23 -3.57 0.40 0.00 -1.01 0.00 0.00 33.01 28.61 1vrq s GLN 90 CO 0.45 -0.68 0.87 1.28 0.01 0.00 0.00 175.29 177.21