#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vkq h LEU 2 N 0.00 0.82 -0.94 0.00 3.38 -1.28 -0.18 115.31 117.11 1vkq h LEU 2 Ca 0.00 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.17 1vkq h LEU 2 Cb 0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.56 1vkq h LEU 2 CO 0.00 0.39 0.55 -0.25 0.09 0.00 0.00 178.44 179.22 1vkq h TRP 3 N 0.85 0.99 -0.01 1.13 2.91 -1.98 0.16 115.95 119.99 1vkq h TRP 3 Ca 0.51 0.03 -0.18 0.00 1.13 0.00 0.00 58.89 60.38 1vkq h TRP 3 Cb 0.68 -0.30 0.01 0.00 -0.51 0.00 0.00 29.16 29.04 1vkq h TRP 3 CO -0.00 0.31 -0.70 1.96 -1.03 0.00 0.00 178.44 178.98 1vkq h GLN 4 N 0.81 0.49 -0.69 2.65 7.50 -1.44 -2.87 115.11 121.56 1vkq h GLN 4 Ca 0.50 -0.51 0.02 0.00 0.50 0.00 0.00 58.65 59.15 1vkq h GLN 4 Cb 0.62 0.14 -0.04 0.00 0.05 0.00 0.00 27.48 28.25 1vkq h GLN 4 CO -0.32 1.15 0.44 0.35 -1.50 0.00 0.00 178.83 178.96 1vkq h PHE 5 N 0.03 0.84 -0.28 2.96 -0.00 -1.02 0.14 116.94 119.61 1vkq h PHE 5 Ca -0.08 0.02 0.06 0.00 -0.00 0.00 0.00 57.97 57.97 1vkq h PHE 5 Cb 1.39 -0.28 -0.07 0.00 -0.00 0.00 0.00 35.95 37.00 1vkq h PHE 5 CO 0.13 0.50 -0.15 -0.97 -0.00 0.00 0.00 178.31 177.83 1vkq h ASN 6 N 0.89 -0.49 -0.70 0.41 -1.24 -1.03 -1.33 115.58 112.09 1vkq h ASN 6 Ca 0.26 0.11 -0.03 0.00 0.71 0.00 0.00 56.30 57.36 1vkq h ASN 6 Cb -0.05 0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.23 1vkq h ASN 6 CO -0.08 -0.18 0.33 1.23 -1.29 0.00 0.00 177.43 177.44 1vkq h GLY 7 N -0.11 1.10 1.00 1.57 0.00 -1.17 -1.87 103.07 103.60 1vkq h GLY 7 Ca 0.15 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1vkq h GLY 7 CO -0.35 0.52 0.43 -0.33 0.00 0.00 0.00 176.54 176.80 1vkq h MET 8 N 1.02 0.96 -0.40 4.80 2.86 -0.55 0.14 114.93 123.77 1vkq h MET 8 Ca 0.25 -0.08 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 1vkq h MET 8 Cb 0.12 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1vkq h MET 8 CO -0.03 0.68 -0.24 0.82 1.06 0.00 0.00 176.91 179.20 1vkq h ILE 9 N 0.97 1.27 -0.11 -1.22 2.04 -0.98 -2.25 117.51 117.23 1vkq h ILE 9 Ca 0.25 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.70 1vkq h ILE 9 Cb -0.04 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1vkq h ILE 9 CO -0.05 0.46 -0.17 0.11 0.00 0.00 0.00 178.15 178.50 1vkq h LYS 10 N 0.70 0.17 -0.58 2.37 1.57 -1.06 0.19 116.57 119.93 1vkq h LYS 10 Ca 0.09 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1vkq h LYS 10 Cb 0.76 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.00 1vkq h LYS 10 CO 0.06 0.35 0.30 0.00 -0.57 0.00 0.00 179.45 179.59 1vkq h LYS 12 N 0.56 0.00 -2.44 0.00 1.79 -1.12 -3.41 116.57 111.95 1vkq h LYS 12 Ca 0.26 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.14 1vkq h LYS 12 Cb 0.18 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.43 1vkq h LYS 12 CO -0.18 0.39 -0.88 -0.89 -1.08 0.00 0.00 179.45 176.80 1vkq n ILE 13 N -3.03 -0.24 0.26 1.86 5.41 0.62 -4.94 119.36 119.31 1vkq n ILE 13 Ca -0.05 -3.98 0.09 0.00 1.00 0.00 0.00 62.75 59.82 1vkq n ILE 13 Cb 0.80 -1.86 0.44 0.00 -0.71 0.00 0.00 39.64 38.31 1vkq n ILE 13 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1vkq n PRO 14 N 2.24 0.12 0.00 0.38 -0.02 -1.02 -1.77 135.00 134.94 1vkq n PRO 14 Ca 0.26 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 1vkq n PRO 14 Cb 0.46 -1.81 0.42 0.00 -0.02 0.00 0.00 33.50 32.55 1vkq n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1vkq n SER 15 N -2.05 0.40 -4.88 2.55 3.41 -1.26 -4.96 113.62 106.83 1vkq n SER 15 Ca 0.01 -0.15 -0.32 0.00 -0.26 0.00 0.00 58.87 58.14 1vkq n SER 15 Cb 0.11 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1vkq n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1vkq s SER 16 N -2.87 6.61 -0.75 4.04 0.15 -0.73 -5.04 113.70 115.12 1vkq s SER 16 Ca 0.16 0.88 -0.11 0.00 0.70 0.00 0.00 55.95 57.57 1vkq s SER 16 Cb 0.18 -2.21 0.20 0.00 -1.71 0.00 0.00 66.02 62.48 1vkq s SER 16 CO 0.60 -0.04 0.66 -1.61 1.20 0.00 0.00 173.24 174.04 1vkq s GLU 17 N -2.75 3.28 0.45 5.44 0.41 -1.26 -4.83 118.70 119.44 1vkq s GLU 17 Ca 0.46 -2.40 0.11 0.00 -0.41 0.00 0.00 54.97 52.72 1vkq s GLU 17 Cb -0.11 -4.24 1.01 0.00 -1.78 0.00 0.00 34.13 29.00 1vkq s GLU 17 CO 0.21 -1.26 2.08 -1.35 -0.49 0.00 0.00 175.26 174.46 1vkq h PRO 18 N 7.70 0.35 0.00 0.39 0.11 -1.94 -0.20 132.00 138.41 1vkq h PRO 18 Ca 0.04 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1vkq h PRO 18 Cb 1.02 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1vkq h PRO 18 CO 0.77 0.23 0.00 1.28 -0.21 0.00 0.00 178.00 180.07 1vkq n LEU 19 N -4.49 0.07 -0.12 2.35 4.77 -1.26 -1.05 117.00 117.27 1vkq n LEU 19 Ca 0.02 0.52 -0.23 0.00 -0.03 0.00 0.00 56.01 56.28 1vkq n LEU 19 Cb 0.10 -0.50 -0.08 0.00 -2.33 0.00 0.00 43.42 40.60 1vkq n LEU 19 CO 0.35 -0.25 -1.21 0.18 -1.33 0.00 0.00 177.39 175.13 1vkq n LEU 20 N -1.57 1.95 0.07 2.23 4.77 -0.35 -4.28 117.00 119.82 1vkq n LEU 20 Ca 0.04 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1vkq n LEU 20 Cb 0.20 -0.80 0.31 0.00 -2.33 0.00 0.00 43.42 40.80 1vkq n LEU 20 CO 0.16 0.31 0.84 0.44 -1.33 0.00 0.00 177.39 177.81 1vkq h ASP 21 N -1.00 0.33 -0.14 -1.43 3.32 -1.04 -3.22 116.42 113.23 1vkq h ASP 21 Ca -0.49 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.48 1vkq h ASP 21 Cb 1.42 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.89 1vkq h ASP 21 CO -0.29 0.51 0.00 0.49 -1.72 0.00 0.00 179.24 178.23 1vkq n PHE 22 N -4.21 0.38 -4.05 4.55 3.72 -0.21 -4.90 117.46 112.73 1vkq n PHE 22 Ca -0.00 -0.77 -0.32 0.00 -0.05 0.00 0.00 57.45 56.30 1vkq n PHE 22 Cb 0.32 -0.16 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 1vkq n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1vkq s ASN 23 N -1.87 5.79 -1.10 4.37 2.47 -1.22 -4.31 114.94 119.07 1vkq s ASN 23 Ca 0.27 0.15 -0.19 0.00 0.42 0.00 0.00 52.86 53.51 1vkq s ASN 23 Cb 0.21 -1.68 -0.01 0.00 -1.45 0.00 0.00 41.25 38.33 1vkq s ASN 23 CO 0.07 0.24 0.78 0.59 -3.72 0.00 0.00 177.10 175.06 1vkq n ASN 24 N 0.93 -5.42 -3.91 -4.21 3.02 -0.36 -4.83 115.26 100.47 1vkq n ASN 24 Ca -0.11 -0.98 -0.20 0.00 -0.03 0.00 0.00 54.58 53.26 1vkq n ASN 24 Cb 0.52 -3.35 -0.16 0.00 -0.61 0.00 0.00 39.78 36.18 1vkq n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1vkq s TYR 25 N -3.42 0.81 0.00 3.10 5.04 -0.76 -0.93 117.35 121.19 1vkq s TYR 25 Ca 0.43 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 1vkq s TYR 25 Cb -0.16 -0.69 0.00 0.00 0.35 0.00 0.00 41.96 41.47 1vkq s TYR 25 CO 0.86 -0.19 0.00 0.41 -1.34 0.00 0.00 175.55 175.29 1vkq n GLY 26 N 3.96 0.77 0.03 8.97 0.00 0.41 -1.91 105.19 117.42 1vkq n GLY 26 Ca -0.25 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.17 1vkq n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vkq n TYR 28 N -1.94 0.00 -2.62 0.00 4.02 -1.25 -3.10 117.16 112.27 1vkq n TYR 28 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 1vkq n TYR 28 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.73 1vkq n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1vkq n GLY 30 N 5.09 0.83 3.72 0.00 0.00 -1.26 -1.23 105.19 112.34 1vkq n GLY 30 Ca 0.07 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.48 1vkq n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vkq s LEU 31 N 0.00 4.37 0.00 0.99 1.98 -1.26 -4.66 118.68 120.10 1vkq s LEU 31 Ca 0.00 2.70 0.00 0.00 -2.89 0.00 0.00 54.13 53.94 1vkq s LEU 31 Cb 0.00 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.25 1vkq s LEU 31 CO 0.00 -0.88 0.00 0.61 -1.89 0.00 0.00 176.35 174.19 1vkq n GLY 32 N 3.83 -0.84 0.00 7.98 0.00 -1.26 -5.05 105.19 109.85 1vkq n GLY 32 Ca 0.15 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1vkq n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vkq n GLY 33 N 0.00 3.93 3.46 -0.02 0.00 -1.26 -4.70 105.19 106.61 1vkq n GLY 33 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1vkq n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vkq s SER 34 N 0.00 -0.11 0.00 1.61 1.04 -1.18 -4.99 113.70 110.07 1vkq s SER 34 Ca 0.00 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1vkq s SER 34 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1vkq s SER 34 CO 0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1vkq n GLY 35 N -0.30 -1.69 3.71 7.32 0.00 -1.24 -4.76 105.19 108.23 1vkq n GLY 35 Ca -0.08 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 1vkq n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vkq s THR 36 N 0.00 5.24 0.21 2.61 2.01 -1.26 -5.05 115.64 119.40 1vkq s THR 36 Ca 0.00 0.72 -0.31 0.00 0.31 0.00 0.00 61.69 62.41 1vkq s THR 36 Cb 0.00 -3.72 -0.15 0.00 0.01 0.00 0.00 72.50 68.64 1vkq s THR 36 CO 0.00 0.32 1.13 -2.65 -0.69 0.00 0.00 174.62 172.73 1vkq n PRO 37 N 3.92 1.28 0.19 4.92 -0.02 -1.26 -4.84 135.00 139.19 1vkq n PRO 37 Ca -0.09 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 61.94 1vkq n PRO 37 Cb 0.51 -1.92 0.12 0.00 -0.02 0.00 0.00 33.50 32.19 1vkq n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1vkq h VAL 38 N 2.46 0.16 -2.79 -1.45 -1.51 -1.96 -3.47 116.25 107.68 1vkq h VAL 38 Ca -0.42 -1.23 0.01 0.00 -1.23 0.00 0.00 66.70 63.83 1vkq h VAL 38 Cb 1.34 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 32.51 1vkq h VAL 38 CO 0.67 0.09 0.31 -0.90 -1.23 0.00 0.00 177.57 176.51 1vkq n ASP 39 N -3.06 -1.95 -0.06 4.19 5.68 -1.26 -5.03 116.55 115.07 1vkq n ASP 39 Ca 0.03 -2.29 -0.02 0.00 -0.50 0.00 0.00 54.79 52.00 1vkq n ASP 39 Cb 0.57 3.23 0.22 0.00 -1.14 0.00 0.00 41.12 44.01 1vkq n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1vkq h ASP 40 N 1.77 0.63 -0.20 -1.12 3.32 -1.92 -1.15 116.42 117.75 1vkq h ASP 40 Ca -0.29 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1vkq h ASP 40 Cb 1.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1vkq h ASP 40 CO 0.37 0.71 0.11 0.25 -1.72 0.00 0.00 179.24 178.96 1vkq h LEU 41 N 0.62 0.24 -1.41 1.55 5.85 -1.93 -0.35 115.31 119.88 1vkq h LEU 41 Ca 0.12 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1vkq h LEU 41 Cb 0.41 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1vkq h LEU 41 CO 0.02 0.23 0.42 -0.78 -0.34 0.00 0.00 178.44 177.99 1vkq h ASP 42 N 0.22 0.67 -0.53 1.25 3.58 -1.84 -1.34 116.42 118.43 1vkq h ASP 42 Ca 0.07 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1vkq h ASP 42 Cb 0.04 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1vkq h ASP 42 CO -0.01 0.47 0.10 -0.09 -2.88 0.00 0.00 179.24 176.82 1vkq h ARG 43 N 0.78 0.92 -0.81 0.28 2.43 -0.62 -0.44 114.38 116.91 1vkq h ARG 43 Ca 0.25 -0.22 0.08 0.00 -0.81 0.00 0.00 59.98 59.28 1vkq h ARG 43 Cb 0.04 -0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 29.40 1vkq h ARG 43 CO -0.07 0.85 0.48 0.00 -1.51 0.00 0.00 179.97 179.72 1vkq h GLN 46 N 0.57 0.55 -0.56 0.00 4.15 -0.62 0.06 115.11 119.26 1vkq h GLN 46 Ca 0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1vkq h GLN 46 Cb 0.92 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 1vkq h GLN 46 CO 0.08 0.37 0.29 1.15 -1.93 0.00 0.00 178.83 178.79 1vkq h THR 47 N 0.57 1.19 -0.60 2.39 2.02 -0.95 -0.71 112.91 116.82 1vkq h THR 47 Ca 0.16 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1vkq h THR 47 Cb -0.06 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1vkq h THR 47 CO -0.04 0.21 0.33 -0.74 0.37 0.00 0.00 175.52 175.66 1vkq h HIS 48 N 0.76 0.82 -0.64 3.16 -0.00 -1.07 0.53 115.15 118.71 1vkq h HIS 48 Ca 0.20 -0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.60 1vkq h HIS 48 Cb 0.07 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 27.17 1vkq h HIS 48 CO -0.01 0.59 0.37 -0.44 -0.00 0.00 0.00 177.93 178.43 1vkq h ASP 49 N 0.81 0.56 -0.44 3.26 5.19 -0.63 -0.87 116.42 124.31 1vkq h ASP 49 Ca 0.21 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.58 1vkq h ASP 49 Cb 0.03 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 1vkq h ASP 49 CO -0.04 0.37 0.06 0.78 -3.12 0.00 0.00 179.24 177.29 1vkq h ASN 50 N 0.69 0.77 -0.59 6.45 2.35 -0.63 -1.09 115.58 123.53 1vkq h ASN 50 Ca 0.28 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1vkq h ASN 50 Cb 0.13 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 1vkq h ASN 50 CO -0.15 0.80 0.25 0.00 -1.65 0.00 0.00 177.43 176.68 1vkq h TYR 52 N 0.81 1.15 -0.94 0.00 0.99 -0.90 -0.83 116.97 117.25 1vkq h TYR 52 Ca 0.20 -0.19 0.01 0.00 2.00 0.00 0.00 58.73 60.75 1vkq h TYR 52 Cb 0.17 -0.30 -0.05 0.00 1.00 0.00 0.00 36.73 37.55 1vkq h TYR 52 CO 0.01 1.00 0.62 0.52 -0.00 0.00 0.00 178.16 180.31 1vkq h MET 53 N 0.97 1.23 -0.35 4.88 2.86 -0.85 -2.06 114.93 121.62 1vkq h MET 53 Ca 0.18 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1vkq h MET 53 Cb 0.54 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1vkq h MET 53 CO 0.03 0.81 -0.32 0.37 1.06 0.00 0.00 176.91 178.86 1vkq h GLN 54 N 1.26 0.76 -0.72 1.72 5.75 -0.78 -3.03 115.11 120.08 1vkq h GLN 54 Ca 0.35 -0.35 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1vkq h GLN 54 Cb -0.13 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.37 1vkq h GLN 54 CO -0.08 0.97 0.46 0.00 -2.65 0.00 0.00 178.83 177.53 1vkq h ALA 55 N 1.00 0.94 0.00 3.38 0.00 -0.60 -1.22 119.26 122.76 1vkq h ALA 55 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vkq h ALA 55 Cb 0.85 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1vkq h ALA 55 CO 0.07 0.25 0.00 0.52 0.00 0.00 0.00 179.25 180.09 1vkq h MET 56 N 0.89 0.00 0.00 0.00 2.86 -1.27 -1.70 114.93 115.72 1vkq h MET 56 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1vkq h MET 56 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1vkq h MET 56 CO -0.11 0.00 -0.17 0.87 1.06 0.00 0.00 176.91 178.57 1vkq h LYS 57 N 0.00 0.00 -6.60 1.72 1.57 -1.16 -3.44 116.57 108.66 1vkq h LYS 57 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1vkq h LYS 57 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1vkq h LYS 57 CO 0.00 0.00 0.47 -0.51 -0.57 0.00 0.00 179.45 178.84 1vkq s LEU 58 N -4.92 4.46 0.35 2.94 1.43 -0.64 -4.94 118.68 117.36 1vkq s LEU 58 Ca 0.08 2.02 0.13 0.00 -1.03 0.00 0.00 54.13 55.33 1vkq s LEU 58 Cb 0.11 -3.60 0.98 0.00 0.03 0.00 0.00 46.19 43.71 1vkq s LEU 58 CO 0.65 -0.25 1.74 0.44 0.23 0.00 0.00 176.35 179.16 1vkq h ASP 59 N 5.53 0.59 0.70 2.29 3.32 -1.90 -1.26 116.42 125.70 1vkq h ASP 59 Ca -0.43 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.67 1vkq h ASP 59 Cb 1.21 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1vkq h ASP 59 CO 0.74 0.08 -0.32 0.28 -1.72 0.00 0.00 179.24 178.30 1vkq h SER 60 N 0.50 0.00 1.24 6.45 0.02 -1.92 -3.00 113.55 116.83 1vkq h SER 60 Ca 0.64 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.47 1vkq h SER 60 Cb 1.37 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 1vkq h SER 60 CO -0.42 0.32 -0.80 0.00 -1.14 0.00 0.00 176.83 174.79 1vkq n LYS 62 N -3.09 0.04 0.05 0.00 5.02 -1.03 -2.83 118.16 116.31 1vkq n LYS 62 Ca -0.02 0.21 0.11 0.00 -2.02 0.00 0.00 58.31 56.60 1vkq n LYS 62 Cb 0.75 -1.56 0.04 0.00 -0.02 0.00 0.00 35.03 34.25 1vkq n LYS 62 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1vkq n VAL 63 N -1.63 0.31 -3.68 -0.18 0.31 -1.24 -4.90 118.33 107.33 1vkq n VAL 63 Ca 0.04 -0.34 -0.25 0.00 -0.01 0.00 0.00 64.34 63.79 1vkq n VAL 63 Cb 0.23 -0.02 -0.02 0.00 -0.91 0.00 0.00 33.84 33.12 1vkq n VAL 63 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1vkq s LEU 64 N -4.37 4.19 0.00 7.52 0.05 -1.13 -5.01 118.68 119.93 1vkq s LEU 64 Ca 0.03 0.33 0.27 0.00 0.05 0.00 0.00 54.13 54.80 1vkq s LEU 64 Cb 0.13 -3.13 0.80 0.00 -2.05 0.00 0.00 46.19 41.94 1vkq s LEU 64 CO 0.79 -0.12 1.60 0.55 -0.55 0.00 0.00 176.35 178.62 1vkq n VAL 65 N -1.16 0.00 -5.04 1.48 3.14 -1.26 -4.91 118.33 110.57 1vkq n VAL 65 Ca -0.06 -0.08 -0.31 0.00 -2.96 0.00 0.00 64.34 60.93 1vkq n VAL 65 Cb 0.55 0.24 -0.15 0.00 -1.06 0.00 0.00 33.84 33.42 1vkq n VAL 65 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1vkq s ASP 66 N -2.63 3.33 0.84 6.55 3.84 -1.26 -5.13 116.67 122.21 1vkq s ASP 66 Ca 0.22 -0.46 -0.12 0.00 -0.00 0.00 0.00 52.55 52.19 1vkq s ASP 66 Cb 0.19 -0.44 0.12 0.00 -1.38 0.00 0.00 42.92 41.41 1vkq s ASP 66 CO 0.55 0.30 1.19 0.54 -0.00 0.00 0.00 175.17 177.75 1vkq s ASN 67 N -0.92 4.04 0.58 2.11 6.03 -1.26 -4.60 114.94 120.91 1vkq s ASN 67 Ca 0.11 0.45 0.28 0.00 -1.03 0.00 0.00 52.86 52.67 1vkq s ASN 67 Cb -0.10 -0.79 1.52 0.00 -3.03 0.00 0.00 41.25 38.85 1vkq s ASN 67 CO 0.01 -2.15 1.98 -0.65 -2.03 0.00 0.00 177.10 174.26 1vkq h PRO 68 N -1.15 0.00 0.00 3.55 0.11 -1.95 0.28 132.00 132.85 1vkq h PRO 68 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1vkq h PRO 68 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1vkq h PRO 68 CO 0.53 0.00 -0.18 1.88 -0.21 0.00 0.00 178.00 180.01 1vkq h TYR 69 N 0.00 0.00 -0.00 0.65 -1.99 -1.93 -3.29 116.97 110.41 1vkq h TYR 69 Ca 0.18 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1vkq h TYR 69 Cb 0.93 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.66 1vkq h TYR 69 CO 0.00 0.18 -0.03 0.25 -0.00 0.00 0.00 178.16 178.56 1vkq n THR 70 N -3.17 0.00 -2.58 -2.88 -2.24 -0.47 -1.01 114.28 101.93 1vkq n THR 70 Ca 0.03 -0.49 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 1vkq n THR 70 Cb 0.57 1.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1vkq n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1vkq s ASN 71 N -0.96 6.50 0.25 3.42 2.47 0.87 -4.78 114.94 122.71 1vkq s ASN 71 Ca 0.00 0.24 -0.30 0.00 0.42 0.00 0.00 52.86 53.23 1vkq s ASN 71 Cb 0.01 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 37.16 1vkq s ASN 71 CO 0.03 -1.41 1.20 0.20 -3.72 0.00 0.00 177.10 173.40 1vkq s ASN 72 N 2.85 7.05 0.33 -4.21 0.01 -1.26 0.02 114.94 119.72 1vkq s ASN 72 Ca 0.45 2.36 0.03 0.00 -0.71 0.00 0.00 52.86 55.00 1vkq s ASN 72 Cb -0.07 -2.62 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 1vkq s ASN 72 CO 0.28 -0.35 0.13 -0.72 -1.51 0.00 0.00 177.10 174.92 1vkq s TYR 73 N -0.61 1.70 -0.09 2.20 -0.85 -1.26 -4.85 117.35 113.59 1vkq s TYR 73 Ca 0.50 -1.25 -0.01 0.00 -0.52 0.00 0.00 57.07 55.79 1vkq s TYR 73 Cb -0.34 -1.01 -0.03 0.00 0.38 0.00 0.00 41.96 40.96 1vkq s TYR 73 CO 0.42 -0.35 -0.05 -1.12 -1.52 0.00 0.00 175.55 172.92 1vkq s SER 74 N -3.44 4.77 0.22 -0.18 0.01 -1.26 -4.90 113.70 108.92 1vkq s SER 74 Ca 0.33 -0.02 -0.18 0.00 1.31 0.00 0.00 55.95 57.39 1vkq s SER 74 Cb 0.05 -1.36 0.03 0.00 0.21 0.00 0.00 66.02 64.96 1vkq s SER 74 CO 0.16 0.32 0.57 -0.72 0.41 0.00 0.00 173.24 173.98 1vkq s TYR 75 N -0.57 -0.12 0.11 2.43 -0.85 -1.26 -2.61 117.35 114.48 1vkq s TYR 75 Ca 0.09 -0.24 0.09 0.00 -0.52 0.00 0.00 57.07 56.48 1vkq s TYR 75 Cb -0.12 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 1vkq s TYR 75 CO 0.02 -1.00 -0.22 -1.54 -1.52 0.00 0.00 175.55 171.30 1vkq s SER 76 N -2.89 2.66 -0.17 -0.18 1.04 -0.15 -4.98 113.70 109.04 1vkq s SER 76 Ca 0.10 -0.70 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 1vkq s SER 76 Cb -0.02 -0.15 -0.02 0.00 0.10 0.00 0.00 66.02 65.92 1vkq s SER 76 CO -0.00 0.07 -0.04 0.00 0.98 0.00 0.00 173.24 174.25 1vkq s SER 78 N 0.63 -0.27 -1.46 0.00 0.15 -0.24 -4.87 113.70 107.63 1vkq s SER 78 Ca -0.03 0.68 -0.11 0.00 0.70 0.00 0.00 55.95 57.20 1vkq s SER 78 Cb -0.14 0.62 0.07 0.00 -1.71 0.00 0.00 66.02 64.85 1vkq s SER 78 CO 0.02 -0.19 0.75 0.59 1.20 0.00 0.00 173.24 175.61 1vkq n ASN 79 N 4.44 -4.64 -2.33 5.45 3.02 -1.26 -1.07 115.26 118.87 1vkq n ASN 79 Ca -0.21 -0.56 -0.19 0.00 -0.03 0.00 0.00 54.58 53.58 1vkq n ASN 79 Cb 0.53 -3.75 -0.02 0.00 -0.61 0.00 0.00 39.78 35.93 1vkq n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1vkq n ASN 80 N -2.58 -5.50 -4.39 6.41 3.02 -1.26 -4.99 115.26 105.96 1vkq n ASN 80 Ca -0.00 0.06 -0.32 0.00 -0.03 0.00 0.00 54.58 54.29 1vkq n ASN 80 Cb 0.55 -4.62 -0.14 0.00 -0.61 0.00 0.00 39.78 34.95 1vkq n ASN 80 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1vkq s GLU 81 N -4.92 2.52 -0.14 3.52 2.02 -0.24 -4.57 118.70 116.89 1vkq s GLU 81 Ca 0.00 -0.78 -0.13 0.00 0.02 0.00 0.00 54.97 54.08 1vkq s GLU 81 Cb 0.00 -2.29 -0.05 0.00 0.10 0.00 0.00 34.13 31.89 1vkq s GLU 81 CO 0.00 0.52 0.29 0.42 0.02 0.00 0.00 175.26 176.51 1vkq s ILE 82 N -0.49 5.29 -0.10 -1.63 1.01 -1.26 -1.08 121.20 122.94 1vkq s ILE 82 Ca 0.06 0.55 -0.01 0.00 0.00 0.00 0.00 60.65 61.25 1vkq s ILE 82 Cb -0.12 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1vkq s ILE 82 CO 0.01 0.44 -0.06 -0.89 0.00 0.00 0.00 174.94 174.44 1vkq s THR 83 N 0.11 0.89 0.38 2.92 2.01 -0.30 -4.99 115.64 116.65 1vkq s THR 83 Ca 0.17 -0.20 -0.20 0.00 0.31 0.00 0.00 61.69 61.77 1vkq s THR 83 Cb -0.13 -0.93 -0.10 0.00 0.01 0.00 0.00 72.50 71.34 1vkq s THR 83 CO 0.05 0.34 0.89 0.00 -0.69 0.00 0.00 174.62 175.21 1vkq s SER 85 N -2.11 6.65 0.43 0.00 0.15 -1.07 -4.95 113.70 112.80 1vkq s SER 85 Ca 0.58 0.77 0.30 0.00 0.70 0.00 0.00 55.95 58.30 1vkq s SER 85 Cb -0.11 -2.18 1.43 0.00 -1.71 0.00 0.00 66.02 63.45 1vkq s SER 85 CO 0.16 0.27 1.90 0.77 1.20 0.00 0.00 173.24 177.54 1vkq h SER 86 N 4.28 0.00 0.85 5.45 4.64 -1.96 -2.16 113.55 124.65 1vkq h SER 86 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1vkq h SER 86 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1vkq h SER 86 CO 0.63 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.97 1vkq n GLU 87 N -2.61 0.04 -2.26 4.77 -0.58 -1.26 -4.79 120.64 113.95 1vkq n GLU 87 Ca -0.00 0.14 -0.41 0.00 -0.42 0.00 0.00 57.16 56.46 1vkq n GLU 87 Cb 0.16 -1.55 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1vkq n GLU 87 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1vkq s ASN 88 N -3.22 6.95 1.01 1.62 0.01 -0.81 -5.03 114.94 115.47 1vkq s ASN 88 Ca 0.11 2.37 -0.16 0.00 -0.71 0.00 0.00 52.86 54.47 1vkq s ASN 88 Cb 0.14 -2.61 0.20 0.00 0.41 0.00 0.00 41.25 39.40 1vkq s ASN 88 CO 0.43 -0.48 1.22 0.20 -1.51 0.00 0.00 177.10 176.96 1vkq s ASN 89 N 0.21 2.66 0.18 -1.22 0.01 -1.26 -4.63 114.94 110.89 1vkq s ASN 89 Ca 0.55 0.54 -0.13 0.00 -0.71 0.00 0.00 52.86 53.11 1vkq s ASN 89 Cb -0.36 -0.77 0.15 0.00 0.41 0.00 0.00 41.25 40.68 1vkq s ASN 89 CO 0.39 -3.04 1.79 0.00 -1.51 0.00 0.00 177.10 174.72 1vkq h ALA 90 N -1.84 0.67 0.01 0.60 0.00 -1.96 0.84 119.26 117.58 1vkq h ALA 90 Ca -0.46 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1vkq h ALA 90 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1vkq h ALA 90 CO 0.43 -0.08 -0.01 0.00 0.00 0.00 0.00 179.25 179.60 1vkq h GLU 92 N -0.30 0.67 -0.45 0.00 3.07 -1.85 -1.03 114.58 114.69 1vkq h GLU 92 Ca -0.00 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.70 1vkq h GLU 92 Cb 0.29 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 1vkq h GLU 92 CO 0.00 0.44 -0.19 0.00 -1.40 0.00 0.00 179.01 177.87 1vkq h ALA 93 N 1.49 0.83 -0.18 3.43 0.00 -0.73 0.14 119.26 124.24 1vkq h ALA 93 Ca 0.41 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1vkq h ALA 93 Cb 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1vkq h ALA 93 CO -0.30 0.65 0.03 0.35 0.00 0.00 0.00 179.25 179.98 1vkq h PHE 94 N 0.77 0.31 -0.68 0.00 3.57 -0.58 -1.73 116.94 118.60 1vkq h PHE 94 Ca 0.11 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 1vkq h PHE 94 Cb 0.72 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1vkq h PHE 94 CO 0.04 0.44 0.27 0.82 -2.23 0.00 0.00 178.31 177.65 1vkq h ILE 95 N 0.09 1.24 -0.79 1.41 2.04 -1.12 -1.44 117.51 118.95 1vkq h ILE 95 Ca 0.05 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.22 1vkq h ILE 95 Cb 0.29 0.47 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1vkq h ILE 95 CO 0.00 0.31 0.45 0.00 0.00 0.00 0.00 178.15 178.91 1vkq h ASN 97 N 0.78 0.93 -0.38 0.00 -0.73 -0.78 0.50 115.58 115.91 1vkq h ASN 97 Ca 0.37 -0.28 0.04 0.00 1.87 0.00 0.00 56.30 58.30 1vkq h ASN 97 Cb 0.30 -0.25 -0.04 0.00 0.27 0.00 0.00 38.32 38.60 1vkq h ASN 97 CO -0.22 0.98 0.13 0.00 -0.37 0.00 0.00 177.43 177.95 1vkq h ASP 99 N 0.29 0.38 -0.40 0.00 3.45 -0.79 -1.84 116.42 117.51 1vkq h ASP 99 Ca 0.17 -0.36 0.06 0.00 0.43 0.00 0.00 57.03 57.33 1vkq h ASP 99 Cb 0.15 -0.10 -0.05 0.00 -0.56 0.00 0.00 39.33 38.76 1vkq h ASP 99 CO -0.17 0.65 0.11 -0.09 -1.57 0.00 0.00 179.24 178.17 1vkq h ARG 100 N 0.11 0.25 -0.72 3.56 2.43 -0.81 -0.36 114.38 118.83 1vkq h ARG 100 Ca 0.05 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1vkq h ARG 100 Cb 0.48 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 1vkq h ARG 100 CO 0.02 0.16 0.28 -0.91 -1.51 0.00 0.00 179.97 178.02 1vkq h ASN 101 N 0.26 0.99 -0.30 -3.80 2.35 -1.00 -1.59 115.58 112.48 1vkq h ASN 101 Ca 0.19 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.66 1vkq h ASN 101 Cb 0.20 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1vkq h ASN 101 CO -0.22 0.88 -0.35 0.00 -1.65 0.00 0.00 177.43 176.09 1vkq h ALA 102 N 1.26 0.45 -0.71 -0.83 0.00 -1.03 -0.65 119.26 117.75 1vkq h ALA 102 Ca 0.24 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1vkq h ALA 102 Cb 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1vkq h ALA 102 CO -0.02 0.52 0.45 0.00 0.00 0.00 0.00 179.25 180.20 1vkq h ALA 103 N 0.71 0.92 -0.20 0.00 0.00 -0.82 0.18 119.26 120.04 1vkq h ALA 103 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1vkq h ALA 103 Cb 0.93 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1vkq h ALA 103 CO 0.08 0.25 0.04 0.82 0.00 0.00 0.00 179.25 180.45 1vkq h ILE 104 N 0.90 1.21 -0.34 0.00 2.04 -1.23 -2.58 117.51 117.51 1vkq h ILE 104 Ca 0.28 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 65.52 1vkq h ILE 104 Cb -0.02 1.29 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 1vkq h ILE 104 CO -0.09 0.21 -0.10 0.00 0.00 0.00 0.00 178.15 178.17 1vkq h PHE 106 N -0.03 0.85 0.00 0.00 -1.00 -0.55 -1.65 116.94 114.56 1vkq h PHE 106 Ca 0.17 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.97 1vkq h PHE 106 Cb 0.28 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1vkq h PHE 106 CO -0.33 0.41 0.00 -1.13 -1.61 0.00 0.00 178.31 175.66 1vkq n SER 107 N -4.50 0.24 -0.41 2.17 3.41 -0.77 -3.44 113.62 110.32 1vkq n SER 107 Ca 0.13 0.55 0.05 0.00 -0.26 0.00 0.00 58.87 59.34 1vkq n SER 107 Cb 0.28 -0.61 0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1vkq n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vkq n LYS 108 N -1.76 0.84 -4.40 4.33 4.76 -0.63 -5.01 118.16 116.29 1vkq n LYS 108 Ca 0.04 -1.25 -0.24 0.00 -2.87 0.00 0.00 58.31 53.99 1vkq n LYS 108 Cb 0.24 -1.19 -0.11 0.00 -1.84 0.00 0.00 35.03 32.13 1vkq n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1vkq s VAL 109 N -0.83 2.17 0.65 -0.18 -7.23 -1.20 -5.10 120.40 108.68 1vkq s VAL 109 Ca 0.13 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.05 1vkq s VAL 109 Cb 0.08 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.95 1vkq s VAL 109 CO 0.12 -0.26 1.26 -2.84 -0.31 0.00 0.00 175.10 173.07 1vkq s PRO 110 N -2.91 2.60 -0.25 4.82 0.02 -1.26 -4.95 135.00 133.07 1vkq s PRO 110 Ca 0.21 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 63.12 1vkq s PRO 110 Cb -0.06 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1vkq s PRO 110 CO 0.10 -1.53 0.04 -0.47 -0.33 0.00 0.00 177.00 174.81 1vkq s TYR 111 N -1.53 3.06 -0.37 6.54 5.04 -1.26 -4.46 117.35 124.37 1vkq s TYR 111 Ca 0.80 -0.63 -0.07 0.00 -2.44 0.00 0.00 57.07 54.73 1vkq s TYR 111 Cb -0.34 -2.21 0.05 0.00 0.35 0.00 0.00 41.96 39.81 1vkq s TYR 111 CO 0.39 -0.44 0.16 -0.80 -1.34 0.00 0.00 175.55 173.52 1vkq s ASN 112 N 1.57 5.41 0.54 4.32 0.01 -1.26 -4.98 114.94 120.55 1vkq s ASN 112 Ca 0.06 -1.30 0.23 0.00 -0.71 0.00 0.00 52.86 51.14 1vkq s ASN 112 Cb -0.15 -1.90 1.50 0.00 0.41 0.00 0.00 41.25 41.11 1vkq s ASN 112 CO 0.02 -0.40 2.17 0.11 -1.51 0.00 0.00 177.10 177.49 1vkq h LYS 113 N 8.26 0.00 0.00 -0.60 1.57 -1.98 -0.76 116.57 123.06 1vkq h LYS 113 Ca -0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1vkq h LYS 113 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1vkq h LYS 113 CO 0.65 0.04 0.00 0.93 -0.57 0.00 0.00 179.45 180.50 1vkq h GLU 114 N 0.00 0.00 -0.02 3.15 3.07 -2.03 -1.95 114.58 116.80 1vkq h GLU 114 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1vkq h GLU 114 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1vkq h GLU 114 CO 0.00 0.00 -0.17 0.72 -1.40 0.00 0.00 179.01 178.16 1vkq n HIS 115 N -2.57 0.00 -2.31 4.33 8.25 -0.29 -4.85 115.22 117.77 1vkq n HIS 115 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1vkq n HIS 115 Cb 0.08 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 1vkq n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1vkq s LYS 116 N -2.14 4.50 -1.21 -0.41 2.47 -0.73 -0.44 119.74 121.77 1vkq s LYS 116 Ca 0.24 1.98 -0.17 0.00 -1.56 0.00 0.00 55.97 56.47 1vkq s LYS 116 Cb 0.19 -3.15 -0.00 0.00 -1.46 0.00 0.00 37.83 33.41 1vkq s LYS 116 CO 0.39 0.00 0.70 0.09 0.16 0.00 0.00 175.35 176.69 1vkq n ASN 117 N 1.27 -3.97 -4.74 1.43 3.02 -0.11 -4.91 115.26 107.26 1vkq n ASN 117 Ca 0.00 -1.03 -0.41 0.00 -0.03 0.00 0.00 54.58 53.12 1vkq n ASN 117 Cb 0.43 -3.20 -0.04 0.00 -0.61 0.00 0.00 39.78 36.36 1vkq n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1vkq s LEU 118 N -6.67 4.52 0.12 3.41 2.96 -1.23 -4.98 118.68 116.81 1vkq s LEU 118 Ca 0.36 2.11 -0.31 0.00 -0.22 0.00 0.00 54.13 56.06 1vkq s LEU 118 Cb -0.13 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.84 1vkq s LEU 118 CO 0.87 -0.15 1.80 -0.62 -1.32 0.00 0.00 176.35 176.93 1vkq s ASP 119 N -0.41 6.44 0.46 3.68 -1.08 -1.26 -4.86 116.67 119.64 1vkq s ASP 119 Ca 0.47 2.74 0.30 0.00 -0.52 0.00 0.00 52.55 55.54 1vkq s ASP 119 Cb -0.29 -2.57 1.65 0.00 -1.46 0.00 0.00 42.92 40.24 1vkq s ASP 119 CO 0.36 -0.99 1.92 0.00 0.52 0.00 0.00 175.17 176.98 1vkq h MET 120 N 8.41 0.00 -0.01 4.34 -0.00 -1.96 -0.67 114.93 125.04 1vkq h MET 120 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.25 1vkq h MET 120 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.81 1vkq h MET 120 CO 0.95 0.00 0.02 1.57 -0.00 0.00 0.00 176.91 179.45 1vkq h LYS 121 N 0.00 0.00 0.00 -0.10 2.10 -2.03 -1.75 116.57 114.78 1vkq h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1vkq h LYS 121 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 1vkq h LYS 121 CO 0.00 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.54 1vkq n ASN 122 N -3.72 0.00 0.00 7.07 4.13 -0.26 -5.20 115.26 117.28 1vkq n ASN 122 Ca -0.03 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.17 1vkq n ASN 122 Cb 0.10 -0.31 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 1vkq n ASN 122 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54