#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlg s ASP 16 N 0.00 2.84 -0.10 8.00 1.01 -1.26 -5.01 116.67 122.15 2vlg s ASP 16 Ca 0.00 2.06 -0.16 0.00 0.71 0.00 0.00 52.55 55.16 2vlg s ASP 16 Cb 0.00 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.36 2vlg s ASP 16 CO 0.00 -3.13 0.41 -0.63 0.21 0.00 0.00 175.17 172.03 2vlg s ILE 17 N -2.66 5.18 -0.07 0.77 1.01 0.25 -4.89 121.20 120.79 2vlg s ILE 17 Ca 0.66 0.82 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2vlg s ILE 17 Cb -0.22 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2vlg s ILE 17 CO 0.59 0.40 -0.06 -1.00 0.00 0.00 0.00 174.94 174.87 2vlg s HIS 18 N 0.19 2.97 0.12 3.97 3.76 -1.26 -0.27 115.29 124.75 2vlg s HIS 18 Ca 0.23 0.04 -0.06 0.00 -0.15 0.00 0.00 55.06 55.11 2vlg s HIS 18 Cb -0.15 -1.73 -0.02 0.00 1.11 0.00 0.00 32.58 31.80 2vlg s HIS 18 CO 0.09 0.34 0.16 0.00 -0.85 0.00 0.00 174.74 174.49 2vlg s ALA 19 N -0.79 0.18 -0.04 -1.40 0.00 -0.67 -0.83 121.76 118.21 2vlg s ALA 19 Ca 0.12 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.14 2vlg s ALA 19 Cb -0.11 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.67 2vlg s ALA 19 CO 0.02 -0.53 -0.12 0.08 0.00 0.00 0.00 175.76 175.20 2vlg s VAL 20 N -3.94 1.06 0.04 0.00 1.01 -0.21 -0.17 120.40 118.19 2vlg s VAL 20 Ca 0.13 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2vlg s VAL 20 Cb 0.05 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2vlg s VAL 20 CO -0.05 0.32 -0.16 -0.76 0.00 0.00 0.00 175.10 174.45 2vlg s LEU 21 N 0.28 2.69 0.92 3.92 1.43 0.75 -0.27 118.68 128.41 2vlg s LEU 21 Ca -0.06 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 2vlg s LEU 21 Cb -0.11 -1.57 0.15 0.00 0.03 0.00 0.00 46.19 44.69 2vlg s LEU 21 CO 0.02 0.26 1.09 0.00 0.23 0.00 0.00 176.35 177.95 2vlg s ALA 22 N -0.94 1.32 0.62 4.21 0.00 0.57 -0.94 121.76 126.60 2vlg s ALA 22 Ca 0.15 0.13 0.39 0.00 0.00 0.00 0.00 51.96 52.63 2vlg s ALA 22 Cb -0.11 -3.27 2.19 0.00 0.00 0.00 0.00 23.12 21.93 2vlg s ALA 22 CO 0.06 -2.59 2.32 0.66 0.00 0.00 0.00 175.76 176.20 2vlg h SER 23 N -1.73 0.00 -0.29 0.00 4.64 -1.88 -0.98 113.55 113.31 2vlg h SER 23 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2vlg h SER 23 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2vlg h SER 23 CO 0.50 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.01 2vlg n ASN 24 N -3.35 2.07 0.00 4.97 0.23 -1.26 -4.93 115.26 112.98 2vlg n ASN 24 Ca -0.03 -1.86 0.00 0.00 -0.53 0.00 0.00 54.58 52.17 2vlg n ASN 24 Cb 0.09 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 2vlg n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2vlg n GLY 25 N 1.18 0.72 3.75 4.83 0.00 -0.37 -4.96 105.19 110.33 2vlg n GLY 25 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2vlg n GLY 25 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vlg s ARG 26 N -0.69 4.37 -0.33 1.61 3.52 -1.26 -1.26 118.95 124.91 2vlg s ARG 26 Ca 0.00 2.13 -0.29 0.00 -0.13 0.00 0.00 55.73 57.44 2vlg s ARG 26 Cb 0.00 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.26 2vlg s ARG 26 CO 0.00 -0.24 1.11 0.42 -0.81 0.00 0.00 175.30 175.79 2vlg s ILE 27 N -0.33 4.43 -0.09 4.11 1.01 0.63 -0.32 121.20 130.64 2vlg s ILE 27 Ca 0.54 1.64 -0.05 0.00 0.00 0.00 0.00 60.65 62.78 2vlg s ILE 27 Cb -0.38 -4.40 -0.27 0.00 0.01 0.00 0.00 42.46 37.43 2vlg s ILE 27 CO 0.43 -0.52 0.48 0.40 0.00 0.00 0.00 174.94 175.73 2vlg h ILE 28 N 5.80 0.73 -3.11 2.92 1.08 -0.96 0.14 117.51 124.11 2vlg h ILE 28 Ca -0.21 -2.44 -0.14 0.00 -0.39 0.00 0.00 64.86 61.67 2vlg h ILE 28 Cb 1.07 2.55 -0.23 0.00 -3.07 0.00 0.00 36.82 37.14 2vlg h ILE 28 CO 1.04 0.84 -0.37 -0.47 -0.69 0.00 0.00 178.15 178.51 2vlg s TYR 29 N -2.57 -0.22 -0.05 1.37 5.04 -0.99 -4.77 117.35 115.16 2vlg s TYR 29 Ca -0.18 0.48 -0.15 0.00 -2.44 0.00 0.00 57.07 54.78 2vlg s TYR 29 Cb 0.07 0.08 0.03 0.00 0.35 0.00 0.00 41.96 42.48 2vlg s TYR 29 CO 0.80 -0.24 0.33 -1.50 -1.34 0.00 0.00 175.55 173.60 2vlg s ILE 30 N -0.52 0.04 0.74 3.14 2.07 -1.26 -1.05 121.20 124.37 2vlg s ILE 30 Ca -0.06 -0.33 -0.11 0.00 -1.41 0.00 0.00 60.65 58.73 2vlg s ILE 30 Cb -0.04 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 41.99 2vlg s ILE 30 CO 0.02 -0.18 1.09 -0.94 -1.91 0.00 0.00 174.94 173.01 2vlg s SER 31 N -0.92 5.06 0.47 4.50 1.04 -0.01 -4.82 113.70 119.02 2vlg s SER 31 Ca -0.10 1.30 0.32 0.00 0.48 0.00 0.00 55.95 57.94 2vlg s SER 31 Cb -0.04 -2.09 1.38 0.00 0.10 0.00 0.00 66.02 65.36 2vlg s SER 31 CO 0.03 -1.60 1.94 0.00 0.98 0.00 0.00 173.24 174.59 2vlg h ALA 32 N -0.84 1.00 0.00 5.32 0.00 -1.97 -1.53 119.26 121.24 2vlg h ALA 32 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2vlg h ALA 32 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2vlg h ALA 32 CO 0.61 0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.13 2vlg n ASN 33 N -2.82 0.00 0.05 0.00 6.94 -1.26 -2.23 115.26 115.94 2vlg n ASN 33 Ca 0.00 -1.20 0.19 0.00 -0.02 0.00 0.00 54.58 53.55 2vlg n ASN 33 Cb 0.25 0.00 0.70 0.00 -2.36 0.00 0.00 39.78 38.37 2vlg n ASN 33 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2vlg h SER 34 N 0.00 0.00 -0.11 0.53 4.64 -1.50 -2.54 113.55 114.57 2vlg h SER 34 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2vlg h SER 34 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 2vlg h SER 34 CO 0.00 0.00 -0.43 0.50 -0.87 0.00 0.00 176.83 176.03 2vlg h LYS 35 N 0.00 0.49 -0.45 4.77 1.63 -0.65 0.05 116.57 122.41 2vlg h LYS 35 Ca 0.21 -0.38 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 2vlg h LYS 35 Cb 0.89 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.57 2vlg h LYS 35 CO -0.00 1.01 0.18 1.25 -3.45 0.00 0.00 179.45 178.44 2vlg h LEU 36 N 0.08 0.61 0.00 5.20 5.85 -1.73 -2.20 115.31 123.12 2vlg h LEU 36 Ca -0.02 -0.16 -0.33 0.00 0.84 0.00 0.00 57.88 58.20 2vlg h LEU 36 Cb 1.07 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 2vlg h LEU 36 CO 0.09 0.61 -2.08 1.41 -0.34 0.00 0.00 178.44 178.13 2vlg n HIS 37 N -4.61 0.45 0.07 1.25 8.25 -0.97 -4.54 115.22 115.11 2vlg n HIS 37 Ca 0.01 0.16 0.01 0.00 -0.26 0.00 0.00 57.72 57.64 2vlg n HIS 37 Cb 0.14 -1.08 -0.01 0.00 1.12 0.00 0.00 29.99 30.17 2vlg n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2vlg n LEU 38 N -2.88 0.07 0.00 2.41 4.77 -0.05 -5.00 117.00 116.32 2vlg n LEU 38 Ca -0.25 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 2vlg n LEU 38 Cb 1.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 2vlg n LEU 38 CO 0.44 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2vlg n GLY 39 N 1.18 0.86 3.55 -0.72 0.00 -0.83 -2.16 105.19 107.07 2vlg n GLY 39 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2vlg n GLY 39 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2vlg s TYR 40 N -3.41 2.98 0.52 1.61 2.02 -1.17 -4.55 117.35 115.35 2vlg s TYR 40 Ca 0.00 -0.11 -0.21 0.00 -0.37 0.00 0.00 57.07 56.37 2vlg s TYR 40 Cb 0.00 -1.81 -0.06 0.00 -0.40 0.00 0.00 41.96 39.69 2vlg s TYR 40 CO 0.00 0.19 1.24 -0.51 -1.57 0.00 0.00 175.55 174.90 2vlg s LEU 41 N -0.35 3.87 0.38 -1.29 1.43 -1.26 -1.11 118.68 120.36 2vlg s LEU 41 Ca 0.05 2.48 0.11 0.00 -1.03 0.00 0.00 54.13 55.74 2vlg s LEU 41 Cb -0.12 -4.34 0.89 0.00 0.03 0.00 0.00 46.19 42.64 2vlg s LEU 41 CO 0.02 -1.30 1.91 0.06 0.23 0.00 0.00 176.35 177.27 2vlg h GLN 42 N 1.56 0.58 0.00 1.70 3.07 -1.82 0.25 115.11 120.44 2vlg h GLN 42 Ca -0.50 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.20 2vlg h GLN 42 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.71 2vlg h GLN 42 CO 0.58 0.38 0.00 0.41 0.09 0.00 0.00 178.83 180.29 2vlg n GLY 43 N -1.47 -1.38 0.21 0.06 0.00 -1.26 -1.73 105.19 99.62 2vlg n GLY 43 Ca 0.14 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2vlg n GLY 43 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2vlg h GLU 44 N 0.00 0.00 0.00 1.61 5.08 -1.30 -3.37 114.58 116.60 2vlg h GLU 44 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 2vlg h GLU 44 Cb 0.46 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2vlg h GLU 44 CO 0.00 0.00 -2.24 -1.33 -1.00 0.00 0.00 179.01 174.44 2vlg n MET 45 N -3.01 0.89 -2.13 2.33 2.81 -0.92 -4.82 117.12 112.26 2vlg n MET 45 Ca 0.04 0.05 -0.42 0.00 -1.81 0.00 0.00 57.70 55.56 2vlg n MET 45 Cb 0.51 -1.45 -0.03 0.00 -0.71 0.00 0.00 33.22 31.54 2vlg n MET 45 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2vlg s ILE 46 N -2.44 3.09 0.00 2.02 1.01 -0.70 -1.47 121.20 122.71 2vlg s ILE 46 Ca -0.18 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.31 2vlg s ILE 46 Cb 0.06 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2vlg s ILE 46 CO 0.63 0.10 0.00 0.61 0.00 0.00 0.00 174.94 176.28 2vlg n GLY 47 N 2.96 2.74 3.99 6.18 0.00 0.49 -4.94 105.19 116.60 2vlg n GLY 47 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 2vlg n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2vlg s SER 48 N -1.27 5.93 0.05 1.61 0.01 -0.54 -4.77 113.70 114.72 2vlg s SER 48 Ca 0.00 -0.21 -0.13 0.00 1.31 0.00 0.00 55.95 56.92 2vlg s SER 48 Cb 0.00 -1.19 -0.06 0.00 0.21 0.00 0.00 66.02 64.98 2vlg s SER 48 CO 0.00 -0.45 0.43 -0.36 0.41 0.00 0.00 173.24 173.27 2vlg s PHE 49 N -2.19 3.67 0.33 2.43 0.08 -1.26 -0.27 117.98 120.77 2vlg s PHE 49 Ca 0.46 0.95 0.07 0.00 0.12 0.00 0.00 56.93 58.52 2vlg s PHE 49 Cb -0.09 -2.26 0.76 0.00 -0.57 0.00 0.00 43.02 40.85 2vlg s PHE 49 CO 0.31 0.57 1.84 1.25 -0.10 0.00 0.00 175.22 179.09 2vlg h LEU 50 N 4.21 0.73 -1.22 -0.37 5.85 -1.53 -2.09 115.31 120.89 2vlg h LEU 50 Ca -0.50 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.39 2vlg h LEU 50 Cb 1.21 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 2vlg h LEU 50 CO 0.64 0.34 0.58 0.07 -0.34 0.00 0.00 178.44 179.72 2vlg h LYS 51 N 0.76 0.79 -0.85 1.25 5.09 -1.93 -1.23 116.57 120.45 2vlg h LYS 51 Ca 0.50 -0.05 0.25 0.00 0.09 0.00 0.00 60.65 61.44 2vlg h LYS 51 Cb 0.76 -0.18 -0.03 0.00 0.10 0.00 0.00 32.23 32.88 2vlg h LYS 51 CO -0.26 0.52 0.73 1.15 -2.09 0.00 0.00 179.45 179.50 2vlg h THR 52 N 0.82 0.36 -0.66 0.07 2.02 -1.78 0.16 112.91 113.88 2vlg h THR 52 Ca 0.43 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.61 2vlg h THR 52 Cb 0.53 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2vlg h THR 52 CO -0.20 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.18 2vlg n PHE 53 N -3.90 1.53 -4.31 3.16 3.72 -0.46 -4.91 117.46 112.29 2vlg n PHE 53 Ca 0.18 -0.61 -0.23 0.00 -0.05 0.00 0.00 57.45 56.74 2vlg n PHE 53 Cb 1.02 -0.25 -0.13 0.00 -0.94 0.00 0.00 39.48 39.19 2vlg n PHE 53 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2vlg s LEU 54 N -1.85 2.28 0.77 4.37 1.43 0.54 0.01 118.68 126.23 2vlg s LEU 54 Ca 0.52 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.86 2vlg s LEU 54 Cb 0.34 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.79 2vlg s LEU 54 CO 0.25 0.05 1.14 -1.00 0.23 0.00 0.00 176.35 177.02 2vlg s HIS 55 N -1.13 3.04 0.25 0.29 3.76 -1.26 -4.80 115.29 115.44 2vlg s HIS 55 Ca 0.05 0.80 -0.05 0.00 -0.15 0.00 0.00 55.06 55.71 2vlg s HIS 55 Cb -0.10 -3.36 0.33 0.00 1.11 0.00 0.00 32.58 30.56 2vlg s HIS 55 CO 0.04 -1.59 1.88 0.93 -0.85 0.00 0.00 174.74 175.14 2vlg h GLU 56 N -0.92 1.08 -0.76 1.40 5.08 -1.99 -0.30 114.58 118.17 2vlg h GLU 56 Ca -0.46 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 57.93 2vlg h GLU 56 Cb 1.31 -0.24 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 2vlg h GLU 56 CO 0.65 0.71 0.41 0.93 -1.00 0.00 0.00 179.01 180.72 2vlg h GLU 57 N 1.11 0.67 0.02 2.33 5.08 -2.00 -2.00 114.58 119.79 2vlg h GLU 57 Ca 0.38 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.50 2vlg h GLU 57 Cb 0.08 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2vlg h GLU 57 CO -0.15 0.45 -0.95 -0.44 -1.00 0.00 0.00 179.01 176.92 2vlg h ASP 58 N 0.69 0.12 -0.58 1.42 3.32 -1.49 -2.04 116.42 117.86 2vlg h ASP 58 Ca 0.37 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.32 2vlg h ASP 58 Cb 0.37 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2vlg h ASP 58 CO -0.26 1.00 0.37 1.56 -1.72 0.00 0.00 179.24 180.20 2vlg h GLN 59 N 0.04 0.73 -0.28 3.56 4.20 -0.52 -1.21 115.11 121.63 2vlg h GLN 59 Ca -0.04 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 2vlg h GLN 59 Cb 1.64 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.25 2vlg h GLN 59 CO 0.13 0.48 -0.26 0.35 -0.67 0.00 0.00 178.83 178.86 2vlg h PHE 60 N 0.75 0.81 -0.57 2.96 3.57 -1.29 -0.46 116.94 122.71 2vlg h PHE 60 Ca 0.22 -0.24 0.11 0.00 3.53 0.00 0.00 57.97 61.59 2vlg h PHE 60 Cb -0.04 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.45 2vlg h PHE 60 CO -0.04 0.97 0.10 1.25 -2.23 0.00 0.00 178.31 178.35 2vlg h LEU 61 N 0.41 -0.05 0.09 0.59 5.85 -1.21 0.13 115.31 121.12 2vlg h LEU 61 Ca 0.05 0.11 -0.24 0.00 0.84 0.00 0.00 57.88 58.64 2vlg h LEU 61 Cb 0.83 0.16 0.02 0.00 0.37 0.00 0.00 40.66 42.04 2vlg h LEU 61 CO 0.07 -0.01 -0.98 0.58 -0.34 0.00 0.00 178.44 177.76 2vlg h VAL 62 N 0.22 1.37 -0.33 1.05 2.07 -0.93 -2.57 116.25 117.13 2vlg h VAL 62 Ca 0.29 -2.36 -0.08 0.00 0.82 0.00 0.00 66.70 65.38 2vlg h VAL 62 Cb 0.44 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.95 2vlg h VAL 62 CO -0.40 0.70 -0.12 -0.08 0.02 0.00 0.00 177.57 177.70 2vlg h GLU 63 N 0.05 0.57 -0.97 1.57 4.81 -0.98 -2.40 114.58 117.23 2vlg h GLU 63 Ca -0.15 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 58.95 2vlg h GLU 63 Cb 1.69 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.96 2vlg h GLU 63 CO 0.19 0.68 0.64 0.77 -0.73 0.00 0.00 179.01 180.56 2vlg h SER 64 N 0.53 1.06 -0.94 1.04 0.02 -0.72 -2.72 113.55 111.82 2vlg h SER 64 Ca 0.10 -0.01 0.21 0.00 -0.84 0.00 0.00 61.79 61.24 2vlg h SER 64 Cb 0.51 -0.24 -0.11 0.00 0.14 0.00 0.00 62.40 62.70 2vlg h SER 64 CO 0.03 0.72 0.50 0.22 -1.14 0.00 0.00 176.83 177.16 2vlg h TYR 65 N 1.22 0.86 -0.01 3.45 3.20 -1.00 -1.21 116.97 123.49 2vlg h TYR 65 Ca 0.39 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.29 2vlg h TYR 65 Cb 0.01 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.05 2vlg h TYR 65 CO -0.00 0.09 -0.04 1.19 -1.64 0.00 0.00 178.16 177.75 2vlg n PHE 66 N -4.91 0.00 0.70 -3.82 3.72 -1.03 -3.31 117.46 108.81 2vlg n PHE 66 Ca 0.23 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.75 2vlg n PHE 66 Cb 0.62 -0.07 0.20 0.00 -0.94 0.00 0.00 39.48 39.29 2vlg n PHE 66 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2vlg n TYR 67 N -0.67 0.38 0.00 1.38 9.36 -0.46 -5.14 117.16 122.01 2vlg n TYR 67 Ca 0.19 0.11 0.00 0.00 3.32 0.00 0.00 57.90 61.52 2vlg n TYR 67 Cb 0.24 -0.54 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 2vlg n TYR 67 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 2vlg n ASN 68 N -1.93 0.00 -3.65 2.98 0.23 -1.21 -5.14 115.26 106.55 2vlg n ASN 68 Ca 0.04 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.10 2vlg n ASN 68 Cb 0.41 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.05 2vlg n ASN 68 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 2vlg s HIS 71 N 2.92 -0.25 0.08 -2.53 3.76 -1.26 -4.98 115.29 113.03 2vlg s HIS 71 Ca 0.00 0.50 0.11 0.00 -0.15 0.00 0.00 55.06 55.52 2vlg s HIS 71 Cb 0.00 0.15 0.05 0.00 1.11 0.00 0.00 32.58 33.89 2vlg s HIS 71 CO 0.00 -0.12 1.43 1.25 -0.85 0.00 0.00 174.74 176.44 2vlg h LEU 72 N 5.44 0.00 -8.68 0.89 5.85 -2.06 -3.47 115.31 113.28 2vlg h LEU 72 Ca -0.27 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.11 2vlg h LEU 72 Cb 1.17 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.05 2vlg h LEU 72 CO 0.22 0.74 -0.72 -0.04 -0.34 0.00 0.00 178.44 178.31 2vlg s MET 73 N -3.02 1.09 1.08 1.25 -1.94 -1.26 -5.15 119.30 111.35 2vlg s MET 73 Ca 0.01 -1.47 -0.12 0.00 -1.71 0.00 0.00 55.69 52.40 2vlg s MET 73 Cb 0.10 -0.68 0.23 0.00 2.01 0.00 0.00 34.83 36.50 2vlg s MET 73 CO 0.78 0.09 1.06 -1.25 -0.01 0.00 0.00 175.02 175.69 2vlg s PRO 74 N -3.74 -0.23 -0.32 2.03 0.04 -1.26 -4.97 135.00 126.55 2vlg s PRO 74 Ca 0.17 1.00 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 2vlg s PRO 74 Cb 0.02 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.94 2vlg s PRO 74 CO 0.01 -3.31 0.81 0.00 0.04 0.00 0.00 177.00 174.55 2vlg s THR 76 N 3.04 3.72 0.17 0.00 2.01 -1.26 0.03 115.64 123.34 2vlg s THR 76 Ca 0.33 -0.42 -0.17 0.00 0.31 0.00 0.00 61.69 61.74 2vlg s THR 76 Cb -0.14 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.78 2vlg s THR 76 CO 0.14 0.49 0.47 0.72 -0.69 0.00 0.00 174.62 175.76 2vlg s PHE 77 N 0.41 -0.16 -0.05 4.92 -0.12 -0.68 -4.98 117.98 117.33 2vlg s PHE 77 Ca -0.05 -0.16 -0.21 0.00 -0.05 0.00 0.00 56.93 56.46 2vlg s PHE 77 Cb -0.15 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.54 2vlg s PHE 77 CO 0.03 -0.82 0.60 1.03 -0.05 0.00 0.00 175.22 176.01 2vlg s ARG 78 N -3.84 4.36 -0.10 1.99 0.52 -1.26 -0.67 118.95 119.95 2vlg s ARG 78 Ca 0.07 0.72 -0.00 0.00 -0.52 0.00 0.00 55.73 55.99 2vlg s ARG 78 Cb 0.00 -3.40 -0.03 0.00 0.52 0.00 0.00 34.95 32.05 2vlg s ARG 78 CO -0.07 0.23 -0.07 0.12 0.02 0.00 0.00 175.30 175.53 2vlg s PHE 79 N 0.30 2.93 -0.40 -0.53 5.36 -0.12 -4.55 117.98 120.97 2vlg s PHE 79 Ca 0.32 -0.16 -0.21 0.00 -0.96 0.00 0.00 56.93 55.92 2vlg s PHE 79 Cb -0.17 -1.79 0.01 0.00 -0.34 0.00 0.00 43.02 40.73 2vlg s PHE 79 CO 0.16 0.15 0.68 0.42 -1.46 0.00 0.00 175.22 175.17 2vlg s ILE 80 N -0.34 4.82 1.02 3.12 1.01 0.10 -1.14 121.20 129.79 2vlg s ILE 80 Ca 0.05 0.45 -0.12 0.00 0.00 0.00 0.00 60.65 61.02 2vlg s ILE 80 Cb -0.12 -4.17 0.20 0.00 0.01 0.00 0.00 42.46 38.38 2vlg s ILE 80 CO 0.02 -0.47 1.09 -0.54 0.00 0.00 0.00 174.94 175.04 2vlg s LYS 81 N 2.87 0.26 0.49 2.79 1.02 0.63 -4.85 119.74 122.94 2vlg s LYS 81 Ca 0.25 0.52 0.20 0.00 0.02 0.00 0.00 55.97 56.96 2vlg s LYS 81 Cb -0.14 -1.72 1.24 0.00 -0.52 0.00 0.00 37.83 36.69 2vlg s LYS 81 CO 0.17 -2.85 1.99 -0.22 -0.92 0.00 0.00 175.35 173.53 2vlg h LYS 82 N -1.98 0.16 -0.13 1.68 3.64 -1.67 -1.28 116.57 116.99 2vlg h LYS 82 Ca -0.55 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2vlg h LYS 82 Cb 1.33 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 2vlg h LYS 82 CO 0.57 0.11 0.00 -0.40 -2.27 0.00 0.00 179.45 177.46 2vlg n ASP 83 N -4.43 0.71 0.00 4.20 5.68 -1.26 -4.86 116.55 116.58 2vlg n ASP 83 Ca 0.09 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 2vlg n ASP 83 Cb 0.49 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2vlg n ASP 83 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2vlg n HIS 84 N -0.14 0.00 -3.84 2.11 8.25 -0.48 -5.03 115.22 116.08 2vlg n HIS 84 Ca 0.06 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 2vlg n HIS 84 Cb 0.12 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 2vlg n HIS 84 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2vlg s THR 85 N -2.90 5.25 0.07 1.59 -4.23 -1.26 -4.79 115.64 109.37 2vlg s THR 85 Ca 0.00 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.78 2vlg s THR 85 Cb 0.00 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 2vlg s THR 85 CO 0.00 -0.26 0.23 0.27 -0.54 0.00 0.00 174.62 174.32 2vlg s ILE 86 N -1.93 5.36 0.10 2.99 -4.36 -1.26 -0.27 121.20 121.83 2vlg s ILE 86 Ca 0.36 -0.35 0.08 0.00 -0.26 0.00 0.00 60.65 60.48 2vlg s ILE 86 Cb -0.10 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 39.94 2vlg s ILE 86 CO 0.30 0.12 -0.20 0.68 0.24 0.00 0.00 174.94 176.08 2vlg s VAL 87 N -1.53 1.66 0.02 8.37 -7.23 -0.30 -4.93 120.40 116.47 2vlg s VAL 87 Ca 0.36 -1.54 -0.26 0.00 -1.81 0.00 0.00 61.98 58.73 2vlg s VAL 87 Cb -0.13 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 2vlg s VAL 87 CO 0.28 -0.09 0.79 0.26 -0.31 0.00 0.00 175.10 176.02 2vlg s TRP 88 N -1.23 3.70 -0.04 2.82 0.52 -1.26 -0.95 118.94 122.50 2vlg s TRP 88 Ca 0.06 1.48 0.05 0.00 0.02 0.00 0.00 56.10 57.71 2vlg s TRP 88 Cb -0.10 -2.86 -0.01 0.00 -1.15 0.00 0.00 33.47 29.35 2vlg s TRP 88 CO 0.04 0.21 -0.20 0.08 0.02 0.00 0.00 176.95 177.09 2vlg s VAL 89 N 0.22 1.68 -0.24 4.03 1.01 0.16 -0.09 120.40 127.17 2vlg s VAL 89 Ca 0.40 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2vlg s VAL 89 Cb -0.20 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 2vlg s VAL 89 CO 0.23 0.47 0.04 -0.70 0.00 0.00 0.00 175.10 175.14 2vlg s GLU 90 N -0.13 3.59 -0.24 2.72 2.12 0.02 -1.68 118.70 125.10 2vlg s GLU 90 Ca -0.01 -0.51 -0.03 0.00 0.36 0.00 0.00 54.97 54.77 2vlg s GLU 90 Cb -0.12 -3.22 0.01 0.00 0.26 0.00 0.00 34.13 31.06 2vlg s GLU 90 CO 0.02 -0.16 -0.05 0.00 -0.54 0.00 0.00 175.26 174.54 2vlg s ALA 91 N 1.48 2.77 -0.04 6.30 0.00 0.10 -1.75 121.76 130.63 2vlg s ALA 91 Ca 0.06 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 2vlg s ALA 91 Cb -0.15 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 2vlg s ALA 91 CO 0.02 -0.61 0.83 0.00 0.00 0.00 0.00 175.76 175.99 2vlg s ALA 92 N 1.42 3.26 -0.09 0.00 0.00 0.28 -0.62 121.76 126.00 2vlg s ALA 92 Ca 0.03 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.33 2vlg s ALA 92 Cb -0.15 -3.13 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 2vlg s ALA 92 CO -0.04 -0.16 -0.13 0.08 0.00 0.00 0.00 175.76 175.52 2vlg s VAL 93 N 0.89 3.14 -0.02 0.00 1.01 -1.26 -1.55 120.40 122.61 2vlg s VAL 93 Ca 0.44 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2vlg s VAL 93 Cb -0.19 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2vlg s VAL 93 CO 0.23 0.56 -0.10 -0.70 0.00 0.00 0.00 175.10 175.09 2vlg s GLU 94 N -0.24 0.96 -0.21 2.72 2.12 0.03 -4.98 118.70 119.10 2vlg s GLU 94 Ca 0.01 -0.33 -0.09 0.00 0.36 0.00 0.00 54.97 54.92 2vlg s GLU 94 Cb -0.13 -0.90 -0.05 0.00 0.26 0.00 0.00 34.13 33.31 2vlg s GLU 94 CO 0.03 0.14 0.12 0.42 -0.54 0.00 0.00 175.26 175.43 2vlg s ILE 95 N 0.08 5.20 -0.26 -3.70 -1.09 -1.26 -0.71 121.20 119.46 2vlg s ILE 95 Ca -0.01 0.12 -0.12 0.00 -2.23 0.00 0.00 60.65 58.40 2vlg s ILE 95 Cb -0.08 -3.39 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 2vlg s ILE 95 CO 0.00 0.41 0.24 -0.69 -1.23 0.00 0.00 174.94 173.67 2vlg s VAL 96 N 0.64 5.29 -0.14 2.92 1.01 -0.27 -4.95 120.40 124.90 2vlg s VAL 96 Ca 0.07 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.36 2vlg s VAL 96 Cb -0.12 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 2vlg s VAL 96 CO 0.01 0.26 -0.17 -0.89 0.00 0.00 0.00 175.10 174.31 2vlg s THR 97 N 1.56 2.58 -0.06 3.92 2.01 -1.26 -1.06 115.64 123.32 2vlg s THR 97 Ca 0.10 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2vlg s THR 97 Cb -0.15 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.30 2vlg s THR 97 CO 0.08 0.53 -0.12 0.42 -0.69 0.00 0.00 174.62 174.84 2vlg s THR 98 N 0.69 1.14 -0.40 -0.82 -4.23 0.00 -4.98 115.64 107.04 2vlg s THR 98 Ca -0.08 -0.49 -0.08 0.00 -1.18 0.00 0.00 61.69 59.86 2vlg s THR 98 Cb -0.16 -1.04 0.07 0.00 1.34 0.00 0.00 72.50 72.71 2vlg s THR 98 CO 0.02 0.36 0.23 -0.13 -0.54 0.00 0.00 174.62 174.55 2vlg s ARG 99 N 0.63 2.58 0.00 3.99 0.52 -1.26 -0.37 118.95 125.03 2vlg s ARG 99 Ca -0.14 -1.42 0.00 0.00 -0.52 0.00 0.00 55.73 53.65 2vlg s ARG 99 Cb -0.16 -3.72 0.00 0.00 0.52 0.00 0.00 34.95 31.60 2vlg s ARG 99 CO 0.04 -0.91 0.00 0.00 0.02 0.00 0.00 175.30 174.45 2vlg n ALA 100 N 4.89 0.79 -0.11 2.13 0.00 -1.26 -4.99 120.51 121.96 2vlg n ALA 100 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.19 2vlg n ALA 100 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 2vlg n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2vlg n GLU 101 N 0.00 0.53 -4.42 0.00 2.13 -1.26 -4.93 120.64 112.68 2vlg n GLU 101 Ca 0.00 0.13 -0.24 0.00 0.66 0.00 0.00 57.16 57.71 2vlg n GLU 101 Cb 0.00 -1.42 -0.09 0.00 0.27 0.00 0.00 31.44 30.19 2vlg n GLU 101 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2vlg s ARG 102 N -2.43 1.81 -0.02 5.31 3.52 -1.26 -5.12 118.95 120.76 2vlg s ARG 102 Ca -0.29 -1.66 -0.23 0.00 -0.13 0.00 0.00 55.73 53.42 2vlg s ARG 102 Cb 0.08 -1.87 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 2vlg s ARG 102 CO 0.49 0.35 0.70 0.99 -0.81 0.00 0.00 175.30 177.02 2vlg s THR 103 N -2.39 4.93 0.11 4.11 2.01 -1.26 -4.59 115.64 118.56 2vlg s THR 103 Ca 0.30 1.47 0.09 0.00 0.31 0.00 0.00 61.69 63.86 2vlg s THR 103 Cb -0.06 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 2vlg s THR 103 CO 0.16 0.31 -0.24 -1.61 -0.69 0.00 0.00 174.62 172.55 2vlg s GLU 104 N 0.38 1.29 -0.02 4.92 0.41 0.49 -4.97 118.70 121.20 2vlg s GLU 104 Ca 0.37 -1.22 0.03 0.00 -0.41 0.00 0.00 54.97 53.73 2vlg s GLU 104 Cb -0.19 -1.64 -0.00 0.00 -1.78 0.00 0.00 34.13 30.52 2vlg s GLU 104 CO 0.19 0.39 -0.09 1.03 -0.49 0.00 0.00 175.26 176.29 2vlg s ARG 105 N -1.89 0.90 0.07 1.61 0.52 -1.26 -0.82 118.95 118.08 2vlg s ARG 105 Ca 0.10 -0.33 0.07 0.00 -0.52 0.00 0.00 55.73 55.05 2vlg s ARG 105 Cb -0.10 -0.85 -0.03 0.00 0.52 0.00 0.00 34.95 34.49 2vlg s ARG 105 CO 0.05 0.16 -0.20 -1.21 0.02 0.00 0.00 175.30 174.12 2vlg s GLU 106 N 0.00 1.21 -0.21 3.54 2.02 -0.23 -3.20 118.70 121.83 2vlg s GLU 106 Ca 0.00 -1.03 -0.05 0.00 0.02 0.00 0.00 54.97 53.91 2vlg s GLU 106 Cb -0.06 -1.38 -0.02 0.00 0.10 0.00 0.00 34.13 32.76 2vlg s GLU 106 CO 0.00 0.34 -0.01 0.42 0.02 0.00 0.00 175.26 176.03 2vlg s ILE 107 N -0.99 3.75 -0.24 -1.63 1.01 -0.11 -1.11 121.20 121.89 2vlg s ILE 107 Ca 0.06 -0.37 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 2vlg s ILE 107 Cb -0.09 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 2vlg s ILE 107 CO 0.03 0.42 0.14 -0.63 0.00 0.00 0.00 174.94 174.90 2vlg s ILE 108 N 1.24 5.12 0.02 2.92 -1.09 0.11 -0.18 121.20 129.35 2vlg s ILE 108 Ca 0.03 0.10 0.07 0.00 -2.23 0.00 0.00 60.65 58.62 2vlg s ILE 108 Cb -0.15 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.31 2vlg s ILE 108 CO 0.00 0.34 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.12 2vlg s LEU 109 N 1.17 2.60 -0.17 2.97 1.43 0.77 -0.79 118.68 126.66 2vlg s LEU 109 Ca 0.07 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2vlg s LEU 109 Cb -0.14 -1.52 0.03 0.00 0.03 0.00 0.00 46.19 44.59 2vlg s LEU 109 CO 0.05 0.27 -0.12 -0.75 0.23 0.00 0.00 176.35 176.03 2vlg s LYS 110 N -1.30 2.18 0.11 1.70 2.20 -0.60 -1.66 119.74 122.38 2vlg s LYS 110 Ca 0.14 -0.66 0.07 0.00 -0.36 0.00 0.00 55.97 55.16 2vlg s LYS 110 Cb -0.10 -2.22 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 2vlg s LYS 110 CO 0.04 -0.31 -0.19 -1.64 -0.36 0.00 0.00 175.35 172.89 2vlg s MET 111 N 1.46 1.09 0.00 4.03 -1.94 0.62 -0.56 119.30 124.00 2vlg s MET 111 Ca 0.03 -1.18 -0.04 0.00 -1.71 0.00 0.00 55.69 52.78 2vlg s MET 111 Cb -0.14 -1.23 -0.00 0.00 2.01 0.00 0.00 34.83 35.46 2vlg s MET 111 CO -0.10 0.27 0.07 -1.59 -0.01 0.00 0.00 175.02 173.67 2vlg s LYS 112 N -2.14 0.35 0.01 2.03 -2.85 -0.72 -0.59 119.74 115.83 2vlg s LYS 112 Ca 0.07 -0.36 -0.30 0.00 -1.00 0.00 0.00 55.97 54.38 2vlg s LYS 112 Cb -0.09 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 35.79 2vlg s LYS 112 CO 0.04 -0.07 0.96 0.08 0.10 0.00 0.00 175.35 176.46 2vlg s VAL 113 N -1.11 4.85 -0.52 1.79 1.01 -1.26 -0.80 120.40 124.35 2vlg s VAL 113 Ca -0.12 2.03 -0.25 0.00 0.00 0.00 0.00 61.98 63.63 2vlg s VAL 113 Cb -0.07 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 32.04 2vlg s VAL 113 CO 0.00 0.18 0.98 -0.76 0.00 0.00 0.00 175.10 175.50 2vlg s LEU 114 N 0.91 3.97 0.38 3.92 1.43 0.88 -4.93 118.68 125.24 2vlg s LEU 114 Ca 0.51 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 2vlg s LEU 114 Cb -0.21 -3.03 -0.10 0.00 0.03 0.00 0.00 46.19 42.88 2vlg s LEU 114 CO 0.28 -1.20 0.88 -1.61 0.23 0.00 0.00 176.35 174.93 2vlg s GLU 115 N 4.03 4.21 0.32 1.70 2.02 -1.26 -4.46 118.70 125.26 2vlg s GLU 115 Ca 0.35 1.02 -0.29 0.00 0.02 0.00 0.00 54.97 56.07 2vlg s GLU 115 Cb -0.11 -2.35 -0.10 0.00 0.10 0.00 0.00 34.13 31.67 2vlg s GLU 115 CO 0.23 0.07 1.27 -1.21 0.02 0.00 0.00 175.26 175.65 2vlg s GLU 116 N -2.94 4.40 0.00 1.61 0.41 -1.26 -5.14 118.70 115.78 2vlg s GLU 116 Ca 0.58 2.14 0.15 0.00 -0.41 0.00 0.00 54.97 57.44 2vlg s GLU 116 Cb -0.11 -3.09 0.12 0.00 -1.78 0.00 0.00 34.13 29.27 2vlg s GLU 116 CO 0.16 -0.12 0.99 0.39 -0.49 0.00 0.00 175.26 176.19