#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opv n GLN 6 N 0.00 0.03 -3.86 1.61 1.13 -1.26 -4.23 117.38 110.79 2opv n GLN 6 Ca 0.00 -0.02 0.02 0.00 -1.94 0.00 0.00 57.00 55.06 2opv n GLN 6 Cb 0.00 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 28.86 2opv n GLN 6 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 2opv s PHE 7 N -2.99 0.01 0.13 1.08 -0.12 -1.26 -4.72 117.98 110.11 2opv s PHE 7 Ca 0.09 -0.13 0.05 0.00 -0.05 0.00 0.00 56.93 56.89 2opv s PHE 7 Cb 0.17 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 43.08 2opv s PHE 7 CO 0.81 -0.30 -0.12 -1.58 -0.05 0.00 0.00 175.22 173.98 2opv s HIS 8 N -2.15 1.31 -1.27 3.49 2.46 -1.26 -4.83 115.29 113.04 2opv s HIS 8 Ca 0.24 -0.64 -0.03 0.00 0.47 0.00 0.00 55.06 55.11 2opv s HIS 8 Cb 0.01 -0.68 0.00 0.00 -0.13 0.00 0.00 32.58 31.79 2opv s HIS 8 CO -0.01 0.11 0.37 -0.25 -2.47 0.00 0.00 174.74 172.48 2opv n ASP 9 N 0.26 -5.09 0.00 9.88 9.92 -1.26 -2.91 116.55 127.35 2opv n ASP 9 Ca -0.14 -0.18 0.00 0.00 -0.53 0.00 0.00 54.79 53.95 2opv n ASP 9 Cb 0.58 -4.00 0.00 0.00 -0.64 0.00 0.00 41.12 37.06 2opv n ASP 9 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2opv n ASN 10 N -1.48 0.00 -3.13 -2.24 4.13 -1.26 -4.00 115.26 107.28 2opv n ASN 10 Ca -0.11 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 55.98 2opv n ASN 10 Cb 0.61 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.80 2opv n ASN 10 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2opv s ALA 11 N 0.00 -0.22 -0.17 5.41 0.00 -1.25 -5.00 121.76 120.53 2opv s ALA 11 Ca 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 2opv s ALA 11 Cb 0.00 -2.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.02 2opv s ALA 11 CO 0.00 -2.10 -0.12 1.21 0.00 0.00 0.00 175.76 174.75 2opv s ASN 12 N 0.53 3.84 -0.12 0.00 2.47 -1.15 -5.09 114.94 115.42 2opv s ASN 12 Ca 0.30 -0.44 -0.11 0.00 0.42 0.00 0.00 52.86 53.03 2opv s ASN 12 Cb 0.00 -1.61 -0.05 0.00 -1.45 0.00 0.00 41.25 38.15 2opv s ASN 12 CO -0.12 0.06 0.23 -0.83 -3.72 0.00 0.00 177.10 172.72 2opv s GLY 13 N 0.96 2.22 0.00 1.21 0.00 -1.26 -4.79 107.32 105.66 2opv s GLY 13 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2opv s GLY 13 CO -0.02 0.03 0.00 0.61 0.00 0.00 0.00 173.10 173.72 2opv n GLY 14 N 2.57 1.59 3.59 0.20 0.00 -0.09 -4.79 105.19 108.25 2opv n GLY 14 Ca -0.16 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2opv n GLY 14 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2opv s GLN 15 N 0.00 3.19 -0.18 1.61 0.74 -1.25 -3.85 119.66 119.93 2opv s GLN 15 Ca 0.00 1.21 -0.16 0.00 0.05 0.00 0.00 55.36 56.46 2opv s GLN 15 Cb 0.00 -4.23 -0.06 0.00 1.10 0.00 0.00 33.01 29.82 2opv s GLN 15 CO 0.00 -2.04 -0.30 0.09 -0.55 0.00 0.00 175.29 172.49 2opv n ASN 16 N 10.76 1.91 0.00 6.67 5.03 -1.24 -4.87 115.26 133.51 2opv n ASN 16 Ca 0.22 0.40 0.00 0.00 0.87 0.00 0.00 54.58 56.07 2opv n ASN 16 Cb 0.48 -0.78 0.00 0.00 -1.02 0.00 0.00 39.78 38.46 2opv n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2opv n GLY 17 N 1.48 0.28 3.72 7.41 0.00 -0.58 -4.95 105.19 112.56 2opv n GLY 17 Ca -0.15 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2opv n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2opv s THR 18 N 0.00 3.51 -0.01 2.61 2.01 0.61 -4.80 115.64 119.57 2opv s THR 18 Ca 0.00 1.14 -0.00 0.00 0.31 0.00 0.00 61.69 63.14 2opv s THR 18 Cb 0.00 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2opv s THR 18 CO 0.00 0.12 0.01 0.54 -0.69 0.00 0.00 174.62 174.60 2opv s VAL 19 N 0.72 -0.01 -0.23 3.82 0.11 -1.26 0.18 120.40 123.74 2opv s VAL 19 Ca 0.60 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.70 2opv s VAL 19 Cb -0.34 -0.03 0.04 0.00 -1.53 0.00 0.00 36.38 34.51 2opv s VAL 19 CO 0.32 0.01 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.87 2opv s GLN 20 N 0.18 2.62 -0.38 1.54 -0.21 -0.92 -4.98 119.66 117.52 2opv s GLN 20 Ca -0.01 -1.09 -0.24 0.00 0.02 0.00 0.00 55.36 54.03 2opv s GLN 20 Cb -0.02 -2.79 0.01 0.00 1.00 0.00 0.00 33.01 31.21 2opv s GLN 20 CO -0.01 -0.41 0.83 -1.21 -2.12 0.00 0.00 175.29 172.38 2opv s GLU 21 N 1.21 3.74 0.06 2.91 2.02 -1.25 -2.80 118.70 124.60 2opv s GLU 21 Ca -0.02 0.35 -0.04 0.00 0.02 0.00 0.00 54.97 55.28 2opv s GLU 21 Cb -0.17 -3.82 -0.05 0.00 0.10 0.00 0.00 34.13 30.19 2opv s GLU 21 CO -0.08 -0.91 0.28 0.42 0.02 0.00 0.00 175.26 174.99 2opv s ILE 22 N 3.25 5.29 -0.79 -1.63 -1.09 -0.10 -4.85 121.20 121.28 2opv s ILE 22 Ca 0.33 -0.05 -0.14 0.00 -2.23 0.00 0.00 60.65 58.56 2opv s ILE 22 Cb -0.13 -3.60 0.20 0.00 -1.58 0.00 0.00 42.46 37.36 2opv s ILE 22 CO 0.18 0.20 0.74 -0.04 -1.23 0.00 0.00 174.94 174.79 2opv s MET 23 N -2.26 3.51 -0.01 2.79 -1.94 -1.26 -0.60 119.30 119.53 2opv s MET 23 Ca 0.34 -2.32 -0.28 0.00 -1.71 0.00 0.00 55.69 51.72 2opv s MET 23 Cb -0.13 -4.42 -0.03 0.00 2.01 0.00 0.00 34.83 32.25 2opv s MET 23 CO 0.22 -1.31 0.89 0.42 -0.01 0.00 0.00 175.02 175.23 2opv s ILE 24 N 0.47 4.90 0.15 2.53 -1.09 0.06 -4.64 121.20 123.58 2opv s ILE 24 Ca 0.16 1.86 -0.34 0.00 -2.23 0.00 0.00 60.65 60.10 2opv s ILE 24 Cb -0.13 -4.23 -0.15 0.00 -1.58 0.00 0.00 42.46 36.37 2opv s ILE 24 CO -0.07 0.20 1.35 -2.65 -1.23 0.00 0.00 174.94 172.54 2opv n PRO 25 N 3.77 1.51 0.27 2.79 -0.02 -1.26 0.53 135.00 142.59 2opv n PRO 25 Ca 0.03 0.54 0.18 0.00 -2.02 0.00 0.00 63.50 62.24 2opv n PRO 25 Cb 0.51 -2.17 0.86 0.00 -0.02 0.00 0.00 33.50 32.67 2opv n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2opv h ALA 26 N 4.45 1.00 -0.49 3.55 0.00 -1.95 0.44 119.26 126.26 2opv h ALA 26 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2opv h ALA 26 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2opv h ALA 26 CO 0.78 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2opv n GLY 27 N -0.51 1.34 0.88 0.00 0.00 -1.26 -4.04 105.19 101.61 2opv n GLY 27 Ca -0.01 -0.55 0.04 0.00 0.00 0.00 0.00 46.02 45.51 2opv n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2opv n LYS 28 N 0.97 0.57 0.20 1.61 5.02 0.14 -4.77 118.16 121.90 2opv n LYS 28 Ca 0.17 -2.20 0.09 0.00 -2.02 0.00 0.00 58.31 54.34 2opv n LYS 28 Cb 0.43 -0.71 0.32 0.00 -0.02 0.00 0.00 35.03 35.05 2opv n LYS 28 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2opv h ALA 29 N 0.67 0.92 0.00 7.82 0.00 -1.69 -2.90 119.26 124.08 2opv h ALA 29 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2opv h ALA 29 Cb 1.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2opv h ALA 29 CO 0.04 0.32 0.00 0.78 0.00 0.00 0.00 179.25 180.39 2opv h GLY 30 N 2.70 0.00 0.40 0.00 0.00 -1.86 -1.20 103.07 103.11 2opv h GLY 30 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.95 2opv h GLY 30 CO 0.03 0.00 -2.16 1.04 0.00 0.00 0.00 176.54 175.45 2opv n LEU 31 N -2.51 2.74 0.08 3.11 4.77 -1.10 -1.85 117.00 122.25 2opv n LEU 31 Ca 0.02 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 2opv n LEU 31 Cb 0.28 -1.04 -0.02 0.00 -2.33 0.00 0.00 43.42 40.31 2opv n LEU 31 CO 0.23 0.88 0.23 -0.37 -1.33 0.00 0.00 177.39 177.03 2opv h VAL 32 N 0.05 1.50 0.08 4.08 -1.51 -1.52 -3.33 116.25 115.59 2opv h VAL 32 Ca -0.48 -2.66 -0.37 0.00 -1.23 0.00 0.00 66.70 61.96 2opv h VAL 32 Cb 1.99 2.50 -0.04 0.00 -2.13 0.00 0.00 31.29 33.61 2opv h VAL 32 CO 0.03 0.78 -2.16 -0.38 -1.23 0.00 0.00 177.57 174.60 2opv n ILE 33 N -3.65 1.68 0.00 7.19 5.41 -0.46 -3.84 119.36 125.69 2opv n ILE 33 Ca -0.04 -0.62 0.00 0.00 1.00 0.00 0.00 62.75 63.09 2opv n ILE 33 Cb 0.83 -1.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 2opv n ILE 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2opv n GLY 34 N 2.08 3.18 0.28 7.39 0.00 -0.77 -0.72 105.19 116.62 2opv n GLY 34 Ca -0.37 -1.99 0.15 0.00 0.00 0.00 0.00 46.02 43.81 2opv n GLY 34 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2opv h LYS 35 N 0.00 0.00 0.00 1.61 6.56 -1.88 -3.03 116.57 119.83 2opv h LYS 35 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2opv h LYS 35 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2opv h LYS 35 CO 0.00 0.08 0.00 0.41 -2.06 0.00 0.00 179.45 177.88 2opv n GLY 36 N -0.57 -0.98 1.26 3.86 0.00 -1.26 -4.98 105.19 102.52 2opv n GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2opv n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opv n GLY 37 N -0.12 0.67 0.13 -0.02 0.00 -1.15 -4.95 105.19 99.75 2opv n GLY 37 Ca 0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 2opv n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2opv h GLU 38 N 1.66 0.32 -0.22 1.61 5.08 -1.84 -3.38 114.58 117.81 2opv h GLU 38 Ca 0.00 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2opv h GLU 38 Cb 0.00 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2opv h GLU 38 CO 0.00 1.21 0.14 1.15 -1.00 0.00 0.00 179.01 180.51 2opv h THR 39 N 0.09 1.05 -0.61 1.13 2.02 -1.85 -2.01 112.91 112.72 2opv h THR 39 Ca -0.29 -0.10 0.06 0.00 0.77 0.00 0.00 66.41 66.86 2opv h THR 39 Cb 2.06 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 69.17 2opv h THR 39 CO 0.17 0.05 0.40 -0.29 0.37 0.00 0.00 175.52 176.23 2opv h ILE 40 N 0.29 0.99 -0.22 3.11 2.10 -1.03 0.13 117.51 122.89 2opv h ILE 40 Ca 0.08 -0.20 -0.16 0.00 1.08 0.00 0.00 64.86 65.67 2opv h ILE 40 Cb -0.03 0.36 -0.01 0.00 -1.09 0.00 0.00 36.82 36.06 2opv h ILE 40 CO -0.02 0.11 -0.51 0.07 -1.08 0.00 0.00 178.15 176.71 2opv h LYS 41 N 0.58 0.61 -0.28 2.19 2.10 -1.57 -2.95 116.57 117.25 2opv h LYS 41 Ca 0.26 -0.37 -0.18 0.00 -2.00 0.00 0.00 60.65 58.37 2opv h LYS 41 Cb 0.29 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2opv h LYS 41 CO -0.08 0.98 -0.53 1.96 -2.00 0.00 0.00 179.45 179.78 2opv h GLN 42 N 0.48 0.81 -0.37 0.07 1.08 -0.34 -2.52 115.11 114.32 2opv h GLN 42 Ca 0.02 -0.50 0.04 0.00 -1.45 0.00 0.00 58.65 56.76 2opv h GLN 42 Cb 1.05 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.50 2opv h GLN 42 CO 0.10 1.13 0.14 -0.07 -0.95 0.00 0.00 178.83 179.18 2opv h LEU 43 N 0.63 0.17 0.06 1.46 3.38 -0.78 0.16 115.31 120.39 2opv h LEU 43 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2opv h LEU 43 Cb 1.12 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2opv h LEU 43 CO 0.11 0.14 -0.03 1.56 0.09 0.00 0.00 178.44 180.31 2opv h GLN 44 N 0.31 -0.08 -0.75 1.13 4.20 -1.47 -1.99 115.11 116.47 2opv h GLN 44 Ca 0.17 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 2opv h GLN 44 Cb 0.13 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2opv h GLN 44 CO -0.16 0.06 0.26 0.93 -0.67 0.00 0.00 178.83 179.25 2opv h GLU 45 N -0.19 1.14 0.04 1.46 5.08 -1.14 0.10 114.58 121.07 2opv h GLU 45 Ca -0.01 -0.23 -0.22 0.00 -1.00 0.00 0.00 59.36 57.90 2opv h GLU 45 Cb 0.17 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2opv h GLU 45 CO 0.01 0.95 -1.00 0.07 -1.00 0.00 0.00 179.01 178.04 2opv h ARG 46 N 1.10 0.22 0.00 2.33 0.11 -0.64 -3.24 114.38 114.25 2opv h ARG 46 Ca 0.24 -0.28 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2opv h ARG 46 Cb 0.27 0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.44 2opv h ARG 46 CO -0.01 1.05 -0.84 0.00 0.10 0.00 0.00 179.97 180.27 2opv n ALA 47 N -2.48 3.70 -2.55 0.08 0.00 -0.75 -4.95 120.51 113.56 2opv n ALA 47 Ca -0.05 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 52.89 2opv n ALA 47 Cb 0.89 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 19.37 2opv n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2opv n GLY 48 N 1.43 0.28 3.61 0.00 0.00 -0.10 -4.95 105.19 105.46 2opv n GLY 48 Ca 0.03 -0.46 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2opv n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2opv s VAL 49 N -2.77 1.12 -0.17 1.61 -7.23 -0.45 -0.92 120.40 111.59 2opv s VAL 49 Ca 0.11 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.28 2opv s VAL 49 Cb -0.05 -2.45 -0.00 0.00 0.56 0.00 0.00 36.38 34.44 2opv s VAL 49 CO 0.14 0.00 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.05 2opv s LYS 50 N -3.80 3.24 -0.20 4.82 2.20 -0.49 -4.48 119.74 121.03 2opv s LYS 50 Ca 0.21 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.10 2opv s LYS 50 Cb 0.04 -2.71 0.04 0.00 -1.51 0.00 0.00 37.83 33.70 2opv s LYS 50 CO 0.11 -0.05 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.30 2opv s MET 51 N 1.00 2.12 -0.38 4.03 -1.94 -1.25 0.69 119.30 123.57 2opv s MET 51 Ca -0.01 -0.88 -0.06 0.00 -1.71 0.00 0.00 55.69 53.02 2opv s MET 51 Cb -0.15 -2.47 0.07 0.00 2.01 0.00 0.00 34.83 34.30 2opv s MET 51 CO -0.02 -0.42 0.18 -1.50 -0.01 0.00 0.00 175.02 173.24 2opv s ILE 52 N 1.36 3.73 -0.66 2.53 2.07 0.02 -4.96 121.20 125.30 2opv s ILE 52 Ca -0.01 -1.50 -0.26 0.00 -1.41 0.00 0.00 60.65 57.47 2opv s ILE 52 Cb -0.16 -3.29 0.04 0.00 0.13 0.00 0.00 42.46 39.17 2opv s ILE 52 CO -0.08 -0.42 1.15 -0.76 -1.91 0.00 0.00 174.94 172.91 2opv s LEU 53 N 1.33 3.60 -1.12 8.50 2.01 -1.26 -1.46 118.68 130.28 2opv s LEU 53 Ca 0.02 -0.41 -0.20 0.00 0.01 0.00 0.00 54.13 53.55 2opv s LEU 53 Cb -0.22 -2.71 0.08 0.00 0.01 0.00 0.00 46.19 43.35 2opv s LEU 53 CO 0.00 -1.59 1.50 -0.63 1.01 0.00 0.00 176.35 176.64 2opv s ILE 54 N 4.97 4.21 -1.03 -0.59 1.01 -0.04 -4.63 121.20 125.10 2opv s ILE 54 Ca 0.34 -1.44 0.11 0.00 0.00 0.00 0.00 60.65 59.65 2opv s ILE 54 Cb -0.10 -5.05 -0.00 0.00 0.01 0.00 0.00 42.46 37.31 2opv s ILE 54 CO 0.17 -1.88 0.68 0.00 0.00 0.00 0.00 174.94 173.91 2opv n GLN 55 N 8.08 1.99 0.00 2.79 -0.00 -1.26 -3.90 117.38 125.07 2opv n GLN 55 Ca 0.37 -0.65 0.00 0.00 -0.00 0.00 0.00 57.00 56.73 2opv n GLN 55 Cb 0.48 -1.12 0.00 0.00 -0.00 0.00 0.00 30.24 29.60 2opv n GLN 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2opv n ASP 56 N -0.22 1.48 -1.62 2.61 -0.08 -1.26 -4.73 116.55 112.72 2opv n ASP 56 Ca 0.05 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.21 2opv n ASP 56 Cb 0.24 0.17 0.10 0.00 2.34 0.00 0.00 41.12 43.97 2opv n ASP 56 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2opv n GLY 57 N 1.16 3.24 3.45 0.27 0.00 -1.26 -4.86 105.19 107.20 2opv n GLY 57 Ca 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 2opv n GLY 57 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2opv s SER 58 N -0.21 -0.12 -0.04 1.61 0.15 -1.26 -5.03 113.70 108.79 2opv s SER 58 Ca 0.30 -0.67 0.18 0.00 0.70 0.00 0.00 55.95 56.46 2opv s SER 58 Cb 0.25 0.52 0.59 0.00 -1.71 0.00 0.00 66.02 65.67 2opv s SER 58 CO 0.06 -1.00 1.50 0.00 1.20 0.00 0.00 173.24 175.00 2opv n GLN 59 N -0.29 3.08 -0.54 5.44 1.13 -1.26 -3.63 117.38 121.31 2opv n GLN 59 Ca -0.08 -2.61 0.10 0.00 -1.94 0.00 0.00 57.00 52.47 2opv n GLN 59 Cb 0.63 -1.62 0.35 0.00 0.11 0.00 0.00 30.24 29.71 2opv n GLN 59 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2opv n ASN 60 N 1.13 4.53 0.28 1.08 4.13 -1.26 -4.40 115.26 120.76 2opv n ASN 60 Ca 0.22 -2.29 0.16 0.00 1.68 0.00 0.00 54.58 54.34 2opv n ASN 60 Cb 0.67 -0.56 0.83 0.00 -1.54 0.00 0.00 39.78 39.19 2opv n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2opv h THR 61 N 4.23 0.37 -0.02 3.41 1.03 -1.82 -1.08 112.91 119.03 2opv h THR 61 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 66.01 2opv h THR 61 Cb 1.30 1.28 0.00 0.00 -1.07 0.00 0.00 68.15 69.66 2opv h THR 61 CO 0.15 0.07 -0.11 -0.46 -0.01 0.00 0.00 175.52 175.16 2opv n ASN 62 N -3.46 1.80 0.00 0.00 6.94 -1.26 -4.92 115.26 114.35 2opv n ASN 62 Ca -0.02 -1.48 0.00 0.00 -0.02 0.00 0.00 54.58 53.06 2opv n ASN 62 Cb 0.21 0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 2opv n ASN 62 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2opv n VAL 63 N 0.23 0.00 -1.76 3.53 0.24 -0.41 -5.03 118.33 115.13 2opv n VAL 63 Ca 0.15 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.04 2opv n VAL 63 Cb 0.42 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.78 2opv n VAL 63 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2opv n ASP 64 N 0.00 3.83 -4.64 -1.34 9.92 -1.25 -4.15 116.55 118.92 2opv n ASP 64 Ca 0.00 1.19 -0.39 0.00 -0.53 0.00 0.00 54.79 55.06 2opv n ASP 64 Cb 0.00 -1.61 -0.08 0.00 -0.64 0.00 0.00 41.12 38.79 2opv n ASP 64 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2opv s LYS 65 N -1.33 4.10 -0.37 -1.24 -0.14 0.19 -4.63 119.74 116.32 2opv s LYS 65 Ca 0.58 0.21 -0.27 0.00 -1.36 0.00 0.00 55.97 55.13 2opv s LYS 65 Cb -0.49 -3.60 -0.04 0.00 -1.68 0.00 0.00 37.83 32.02 2opv s LYS 65 CO 0.56 -0.20 2.13 -2.14 -0.76 0.00 0.00 175.35 174.94 2opv s PRO 66 N 1.83 2.82 -0.15 -1.68 0.02 -1.25 -0.76 135.00 135.84 2opv s PRO 66 Ca 0.19 1.53 -0.07 0.00 0.02 0.00 0.00 61.00 62.67 2opv s PRO 66 Cb -0.15 -4.39 -0.04 0.00 0.02 0.00 0.00 34.50 29.93 2opv s PRO 66 CO 0.09 -2.46 0.11 -1.17 -0.33 0.00 0.00 177.00 173.24 2opv s LEU 67 N 9.17 4.15 -0.27 -5.54 0.20 0.23 -0.86 118.68 125.76 2opv s LEU 67 Ca 0.91 0.30 0.01 0.00 0.69 0.00 0.00 54.13 56.04 2opv s LEU 67 Cb -0.23 -2.03 0.07 0.00 -0.43 0.00 0.00 46.19 43.57 2opv s LEU 67 CO 0.30 0.31 -0.03 -0.13 -0.29 0.00 0.00 176.35 176.51 2opv s ARG 68 N -0.41 1.58 -0.52 1.98 0.52 -0.53 -0.92 118.95 120.63 2opv s ARG 68 Ca 0.11 -1.21 -0.22 0.00 -0.52 0.00 0.00 55.73 53.90 2opv s ARG 68 Cb -0.12 -2.67 0.05 0.00 0.52 0.00 0.00 34.95 32.73 2opv s ARG 68 CO 0.02 -0.70 0.78 0.42 0.02 0.00 0.00 175.30 175.84 2opv s ILE 69 N 1.29 4.63 -0.17 1.52 1.09 -1.12 -0.80 121.20 127.64 2opv s ILE 69 Ca -0.02 -0.05 -0.04 0.00 -1.10 0.00 0.00 60.65 59.45 2opv s ILE 69 Cb -0.19 -4.41 -0.02 0.00 -1.06 0.00 0.00 42.46 36.78 2opv s ILE 69 CO -0.08 -0.93 -0.03 -0.63 -0.10 0.00 0.00 174.94 173.16 2opv s ILE 70 N 3.29 3.83 0.00 2.92 1.01 0.22 -2.16 121.20 130.31 2opv s ILE 70 Ca 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2opv s ILE 70 Cb -0.15 -2.70 0.00 0.00 0.01 0.00 0.00 42.46 39.62 2opv s ILE 70 CO 0.16 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.18 2opv n GLY 71 N 3.81 -0.64 3.85 6.18 0.00 0.13 -1.39 105.19 117.13 2opv n GLY 71 Ca -0.17 0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 2opv n GLY 71 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2opv s ASP 72 N -4.00 5.82 0.34 1.61 1.47 -1.26 -0.29 116.67 120.37 2opv s ASP 72 Ca 0.00 0.01 0.14 0.00 1.18 0.00 0.00 52.55 53.88 2opv s ASP 72 Cb 0.00 -1.63 1.01 0.00 -0.34 0.00 0.00 42.92 41.96 2opv s ASP 72 CO 0.00 0.09 1.71 -0.65 0.68 0.00 0.00 175.17 177.00 2opv h PRO 73 N 2.57 0.44 0.57 2.11 0.11 -1.87 0.34 132.00 136.27 2opv h PRO 73 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2opv h PRO 73 Cb 1.19 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.20 2opv h PRO 73 CO 0.66 0.29 -0.28 -0.92 -0.21 0.00 0.00 178.00 177.55 2opv h TYR 74 N 0.45 -0.71 -0.21 0.65 3.20 -1.87 -1.93 116.97 116.55 2opv h TYR 74 Ca 0.67 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.43 2opv h TYR 74 Cb 1.48 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.97 2opv h TYR 74 CO -0.01 -0.40 -0.29 1.57 -1.64 0.00 0.00 178.16 177.39 2opv h LYS 75 N -1.14 0.40 -0.71 1.82 2.10 -1.70 -0.70 116.57 116.64 2opv h LYS 75 Ca -0.08 -0.16 -0.07 0.00 -2.00 0.00 0.00 60.65 58.35 2opv h LYS 75 Cb 0.63 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.91 2opv h LYS 75 CO 0.13 0.65 0.18 0.28 -2.00 0.00 0.00 179.45 178.70 2opv h VAL 76 N 0.35 1.26 0.05 0.07 2.07 -0.37 0.20 116.25 119.89 2opv h VAL 76 Ca 0.05 -0.95 -0.23 0.00 0.82 0.00 0.00 66.70 66.38 2opv h VAL 76 Cb 0.69 0.52 0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2opv h VAL 76 CO 0.05 0.37 -0.93 -0.61 0.02 0.00 0.00 177.57 176.47 2opv h GLN 77 N 1.07 0.54 -0.65 1.57 5.75 -1.09 -0.36 115.11 121.95 2opv h GLN 77 Ca 0.23 -0.65 -0.06 0.00 -0.15 0.00 0.00 58.65 58.02 2opv h GLN 77 Cb 0.35 0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 2opv h GLN 77 CO -0.00 1.26 0.18 1.96 -2.65 0.00 0.00 178.83 179.59 2opv h GLN 78 N 0.12 1.01 -0.28 1.69 4.20 -0.99 0.13 115.11 120.98 2opv h GLN 78 Ca -0.13 -0.21 -0.14 0.00 0.06 0.00 0.00 58.65 58.22 2opv h GLN 78 Cb 1.63 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.25 2opv h GLN 78 CO 0.18 0.88 -0.41 0.00 -0.67 0.00 0.00 178.83 178.81 2opv h ALA 79 N 1.23 0.75 -0.23 3.87 0.00 -0.59 -1.64 119.26 122.65 2opv h ALA 79 Ca 0.21 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2opv h ALA 79 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2opv h ALA 79 CO -0.00 0.66 0.03 0.00 0.00 0.00 0.00 179.25 179.93 2opv h GLU 81 N 0.17 0.00 0.03 0.00 5.08 -0.66 0.24 114.58 119.44 2opv h GLU 81 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2opv h GLU 81 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2opv h GLU 81 CO 0.01 0.03 -0.01 1.98 -1.00 0.00 0.00 179.01 180.01 2opv h MET 82 N 0.00 -0.04 -0.08 2.33 4.05 -0.75 -2.87 114.93 117.57 2opv h MET 82 Ca -0.00 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.24 2opv h MET 82 Cb 0.17 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2opv h MET 82 CO 0.00 0.64 -0.74 -0.39 0.23 0.00 0.00 176.91 176.66 2opv h VAL 83 N -0.91 1.37 -0.23 -5.77 -1.51 -0.90 -3.08 116.25 105.22 2opv h VAL 83 Ca -0.00 -2.14 -0.09 0.00 -1.23 0.00 0.00 66.70 63.24 2opv h VAL 83 Cb 0.70 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.96 2opv h VAL 83 CO 0.01 0.64 -0.24 0.24 -1.23 0.00 0.00 177.57 176.99 2opv h MET 84 N 0.29 0.44 -0.08 5.19 2.07 -0.68 -2.55 114.93 119.62 2opv h MET 84 Ca -0.03 -0.16 -0.09 0.00 -2.07 0.00 0.00 59.70 57.35 2opv h MET 84 Cb 1.32 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 31.00 2opv h MET 84 CO 0.13 0.65 -0.35 0.22 1.07 0.00 0.00 176.91 178.63 2opv h ASP 85 N 0.39 0.16 -0.52 1.22 3.58 -1.42 0.11 116.42 119.94 2opv h ASP 85 Ca 0.06 -0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.34 2opv h ASP 85 Cb 0.63 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 2opv h ASP 85 CO 0.04 0.50 -0.13 0.40 -2.88 0.00 0.00 179.24 177.18 2opv h ILE 86 N 0.14 1.27 -0.29 2.25 2.04 -1.39 -1.68 117.51 119.85 2opv h ILE 86 Ca 0.02 -1.28 -0.14 0.00 1.00 0.00 0.00 64.86 64.46 2opv h ILE 86 Cb 0.69 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2opv h ILE 86 CO 0.05 0.45 -0.35 -0.07 0.00 0.00 0.00 178.15 178.23 2opv h LEU 87 N 0.87 0.80 -0.69 1.44 3.38 -1.01 -2.99 115.31 117.10 2opv h LEU 87 Ca 0.13 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2opv h LEU 87 Cb 0.70 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2opv h LEU 87 CO 0.05 1.14 0.00 0.54 0.09 0.00 0.00 178.44 180.26 2opv n ARG 88 N -4.20 1.44 0.00 1.13 5.12 0.32 -5.11 116.66 115.36 2opv n ARG 88 Ca -0.04 -0.68 0.12 0.00 -1.93 0.00 0.00 57.85 55.32 2opv n ARG 88 Cb 0.51 -1.24 0.10 0.00 -1.16 0.00 0.00 32.46 30.67 2opv n ARG 88 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79