#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkv s PHE 2 N 0.00 2.73 -0.18 1.12 0.40 -1.26 -4.59 117.98 116.20 1pkv s PHE 2 Ca 0.00 -0.16 0.22 0.00 -0.60 0.00 0.00 56.93 56.40 1pkv s PHE 2 Cb 0.00 -1.47 -0.11 0.00 0.51 0.00 0.00 43.02 41.95 1pkv s PHE 2 CO 0.00 0.39 0.86 0.25 0.70 0.00 0.00 175.22 177.41 1pkv n THR 3 N 1.01 0.40 -0.95 0.64 -2.24 -1.26 -4.98 114.28 106.90 1pkv n THR 3 Ca -0.14 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1pkv n THR 3 Cb 0.52 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1pkv n THR 3 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkv n GLY 4 N 1.21 0.50 3.50 3.38 0.00 -1.26 -4.98 105.19 107.54 1pkv n GLY 4 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1pkv n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pkv s ILE 5 N -2.25 4.10 0.21 -0.61 1.01 -1.26 -5.01 121.20 117.39 1pkv s ILE 5 Ca 0.00 -0.31 -0.32 0.00 0.00 0.00 0.00 60.65 60.02 1pkv s ILE 5 Cb 0.00 -4.84 -0.12 0.00 0.01 0.00 0.00 42.46 37.51 1pkv s ILE 5 CO 0.00 -1.68 1.72 -0.69 0.00 0.00 0.00 174.94 174.29 1pkv s VAL 6 N 4.62 2.05 -0.21 2.92 1.01 -1.26 -4.91 120.40 124.61 1pkv s VAL 6 Ca 0.32 0.03 0.20 0.00 0.00 0.00 0.00 61.98 62.53 1pkv s VAL 6 Cb -0.10 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 1pkv s VAL 6 CO 0.06 0.00 1.03 1.56 0.00 0.00 0.00 175.10 177.75 1pkv h GLN 7 N 6.82 0.00 0.00 2.72 4.20 -1.77 -3.50 115.11 123.59 1pkv h GLN 7 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1pkv h GLN 7 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1pkv h GLN 7 CO 0.96 0.11 0.00 0.41 -0.67 0.00 0.00 178.83 179.63 1pkv n GLY 8 N 1.24 -1.42 3.78 3.46 0.00 -1.20 -5.04 105.19 106.01 1pkv n GLY 8 Ca -0.03 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.70 1pkv n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pkv s THR 9 N -2.86 4.32 -0.03 2.61 -4.23 -1.26 -0.98 115.64 113.22 1pkv s THR 9 Ca 0.00 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1pkv s THR 9 Cb 0.00 -3.23 0.01 0.00 1.34 0.00 0.00 72.50 70.62 1pkv s THR 9 CO 0.00 -0.16 -0.06 0.00 -0.54 0.00 0.00 174.62 173.87 1pkv s ALA 10 N -1.83 0.64 0.05 3.99 0.00 0.13 -4.49 121.76 120.25 1pkv s ALA 10 Ca 0.31 -0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 1pkv s ALA 10 Cb -0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 1pkv s ALA 10 CO 0.23 0.06 1.19 0.21 0.00 0.00 0.00 175.76 177.45 1pkv s LYS 11 N 0.45 4.43 -0.32 0.00 2.20 -1.22 -0.76 119.74 124.53 1pkv s LYS 11 Ca -0.06 1.76 -0.29 0.00 -0.36 0.00 0.00 55.97 57.02 1pkv s LYS 11 Cb -0.10 -3.36 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1pkv s LYS 11 CO 0.00 -0.26 1.47 -1.17 -0.36 0.00 0.00 175.35 175.02 1pkv s LEU 12 N 1.12 3.75 -0.01 5.43 0.20 0.73 -1.15 118.68 128.76 1pkv s LEU 12 Ca 0.58 1.20 0.21 0.00 0.69 0.00 0.00 54.13 56.81 1pkv s LEU 12 Cb -0.29 -3.54 -0.25 0.00 -0.43 0.00 0.00 46.19 41.68 1pkv s LEU 12 CO 0.29 -1.30 0.77 1.33 -0.29 0.00 0.00 176.35 177.14 1pkv n VAL 13 N 6.66 0.00 -3.64 1.68 0.24 0.38 0.73 118.33 124.38 1pkv n VAL 13 Ca 0.17 -0.14 -0.09 0.00 -2.04 0.00 0.00 64.34 62.25 1pkv n VAL 13 Cb 0.47 0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 33.51 1pkv n VAL 13 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pkv s SER 14 N -3.32 -0.46 -0.09 -1.34 0.15 -1.16 -4.85 113.70 102.62 1pkv s SER 14 Ca 0.04 0.88 -0.00 0.00 0.70 0.00 0.00 55.95 57.57 1pkv s SER 14 Cb 0.15 0.92 0.02 0.00 -1.71 0.00 0.00 66.02 65.40 1pkv s SER 14 CO 0.85 -0.15 -0.07 -0.63 1.20 0.00 0.00 173.24 174.44 1pkv s ILE 15 N 0.32 0.89 -0.35 6.45 1.01 -1.26 -0.76 121.20 127.51 1pkv s ILE 15 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1pkv s ILE 15 Cb -0.05 -0.92 0.10 0.00 0.01 0.00 0.00 42.46 41.60 1pkv s ILE 15 CO -0.07 0.34 0.07 -0.62 0.00 0.00 0.00 174.94 174.66 1pkv s ASP 16 N 1.55 4.83 0.10 3.58 2.15 -0.35 -4.96 116.67 123.56 1pkv s ASP 16 Ca 0.01 -2.13 -0.30 0.00 0.43 0.00 0.00 52.55 50.55 1pkv s ASP 16 Cb -0.13 -1.65 -0.07 0.00 -0.30 0.00 0.00 42.92 40.77 1pkv s ASP 16 CO -0.05 -0.40 1.22 -1.61 -0.17 0.00 0.00 175.17 174.16 1pkv s GLU 17 N 0.93 4.44 0.00 4.34 2.02 -1.26 -1.04 118.70 128.13 1pkv s GLU 17 Ca 0.10 1.83 0.00 0.00 0.02 0.00 0.00 54.97 56.92 1pkv s GLU 17 Cb -0.19 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.73 1pkv s GLU 17 CO -0.07 -0.23 0.00 1.63 0.02 0.00 0.00 175.26 176.60 1pkv n LYS 18 N 3.56 2.05 -0.34 1.61 5.02 0.19 -4.99 118.16 125.27 1pkv n LYS 18 Ca 0.08 0.00 0.20 0.00 -2.02 0.00 0.00 58.31 56.57 1pkv n LYS 18 Cb 0.45 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.90 1pkv n LYS 18 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1pkv h PRO 19 N 0.00 0.48 0.00 1.97 0.13 -2.03 -3.33 132.00 129.22 1pkv h PRO 19 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1pkv h PRO 19 Cb 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.02 1pkv h PRO 19 CO 0.00 0.32 0.00 0.09 -0.23 0.00 0.00 178.00 178.18 1pkv n ASN 20 N -4.80 0.00 -4.81 1.44 3.02 -1.26 -4.99 115.26 103.86 1pkv n ASN 20 Ca 0.27 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.54 1pkv n ASN 20 Cb 0.82 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.94 1pkv n ASN 20 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1pkv s PHE 21 N -0.02 1.97 -0.03 3.10 -0.71 -1.25 -3.66 117.98 117.37 1pkv s PHE 21 Ca 0.00 -0.81 -0.01 0.00 -1.04 0.00 0.00 56.93 55.07 1pkv s PHE 21 Cb 0.00 -1.82 0.03 0.00 -1.21 0.00 0.00 43.02 40.02 1pkv s PHE 21 CO 0.00 -0.06 0.05 0.50 -1.34 0.00 0.00 175.22 174.38 1pkv s ARG 22 N -4.04 -0.01 -0.13 1.99 3.52 -0.76 -0.63 118.95 118.88 1pkv s ARG 22 Ca 0.26 0.23 -0.15 0.00 -0.13 0.00 0.00 55.73 55.94 1pkv s ARG 22 Cb 0.01 -0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 33.12 1pkv s ARG 22 CO 0.15 -0.17 0.34 0.99 -0.81 0.00 0.00 175.30 175.81 1pkv s THR 23 N 1.10 5.26 -0.13 4.11 2.01 -0.20 0.78 115.64 128.56 1pkv s THR 23 Ca -0.09 0.67 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 1pkv s THR 23 Cb -0.13 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1pkv s THR 23 CO -0.04 0.40 -0.08 -1.00 -0.69 0.00 0.00 174.62 173.21 1pkv s HIS 24 N 0.30 2.92 -0.17 4.92 3.76 0.28 -1.22 115.29 126.07 1pkv s HIS 24 Ca 0.19 -0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 54.66 1pkv s HIS 24 Cb -0.14 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.65 1pkv s HIS 24 CO 0.06 -0.07 -0.05 0.08 -0.85 0.00 0.00 174.74 173.91 1pkv s VAL 25 N 0.22 3.65 0.11 -0.90 1.01 0.06 -1.12 120.40 123.44 1pkv s VAL 25 Ca -0.05 -0.43 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1pkv s VAL 25 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1pkv s VAL 25 CO 0.04 0.47 -0.24 0.68 0.00 0.00 0.00 175.10 176.05 1pkv s VAL 26 N 0.73 1.99 -0.58 2.92 -7.23 -0.26 -0.47 120.40 117.50 1pkv s VAL 26 Ca -0.02 -1.61 -0.19 0.00 -1.81 0.00 0.00 61.98 58.34 1pkv s VAL 26 Cb -0.15 -1.78 0.09 0.00 0.56 0.00 0.00 36.38 35.11 1pkv s VAL 26 CO 0.02 0.05 0.71 -0.70 -0.31 0.00 0.00 175.10 174.87 1pkv s GLU 27 N -1.89 3.06 0.29 4.82 2.12 -0.30 -0.42 118.70 126.38 1pkv s GLU 27 Ca 0.10 -1.22 -0.29 0.00 0.36 0.00 0.00 54.97 53.92 1pkv s GLU 27 Cb -0.10 -4.24 -0.10 0.00 0.26 0.00 0.00 34.13 29.96 1pkv s GLU 27 CO 0.05 -1.51 1.10 -0.51 -0.54 0.00 0.00 175.26 173.85 1pkv s LEU 28 N 2.76 4.53 0.45 2.70 1.43 -0.52 -3.38 118.68 126.64 1pkv s LEU 28 Ca 0.13 2.26 -0.24 0.00 -1.03 0.00 0.00 54.13 55.25 1pkv s LEU 28 Cb -0.23 -3.66 -0.09 0.00 0.03 0.00 0.00 46.19 42.24 1pkv s LEU 28 CO 0.07 -0.17 1.12 -2.65 0.23 0.00 0.00 176.35 174.96 1pkv n PRO 29 N 1.11 1.52 -0.24 1.29 -0.02 -1.26 -4.88 135.00 132.52 1pkv n PRO 29 Ca -0.01 0.55 0.04 0.00 -2.02 0.00 0.00 63.50 62.06 1pkv n PRO 29 Cb 0.45 -2.21 0.15 0.00 -0.02 0.00 0.00 33.50 31.87 1pkv n PRO 29 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1pkv h ASP 30 N 1.60 -0.23 0.04 2.55 3.32 -1.97 -1.10 116.42 120.63 1pkv h ASP 30 Ca -0.47 0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.76 1pkv h ASP 30 Cb 1.32 0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.16 1pkv h ASP 30 CO 0.57 -0.13 0.00 0.00 -1.72 0.00 0.00 179.24 177.97 1pkv n HIS 31 N -5.28 0.00 0.46 4.55 1.44 -1.26 -2.08 115.22 113.05 1pkv n HIS 31 Ca 0.13 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.93 1pkv n HIS 31 Cb 0.44 -0.23 -0.13 0.00 0.12 0.00 0.00 29.99 30.20 1pkv n HIS 31 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1pkv n MET 32 N -1.23 0.71 0.27 -1.40 2.81 -0.42 -4.48 117.12 113.39 1pkv n MET 32 Ca 0.01 -0.08 0.16 0.00 -1.81 0.00 0.00 57.70 55.98 1pkv n MET 32 Cb 0.02 -1.42 0.64 0.00 -0.71 0.00 0.00 33.22 31.75 1pkv n MET 32 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1pkv h LEU 33 N 0.00 0.00 -8.92 4.03 -0.00 -1.49 -3.42 115.31 105.52 1pkv h LEU 33 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 1pkv h LEU 33 Cb 0.65 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.26 1pkv h LEU 33 CO 0.00 0.03 1.01 -1.81 -0.00 0.00 0.00 178.44 177.67 1pkv s ASP 34 N -5.78 6.56 0.00 -0.43 1.01 -1.26 -2.45 116.67 114.32 1pkv s ASP 34 Ca 0.01 1.14 0.00 0.00 0.71 0.00 0.00 52.55 54.41 1pkv s ASP 34 Cb 0.09 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.48 1pkv s ASP 34 CO 0.56 -1.19 0.00 0.61 0.21 0.00 0.00 175.17 175.36 1pkv n GLY 35 N 4.55 0.74 3.70 0.21 0.00 -1.26 -5.03 105.19 108.10 1pkv n GLY 35 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1pkv n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pkv s LEU 36 N 0.00 4.31 0.09 0.99 2.96 -1.02 -5.04 118.68 120.98 1pkv s LEU 36 Ca 0.00 1.72 0.05 0.00 -0.22 0.00 0.00 54.13 55.68 1pkv s LEU 36 Cb 0.00 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1pkv s LEU 36 CO 0.00 -0.42 -0.13 -0.70 -1.32 0.00 0.00 176.35 173.77 1pkv s GLU 37 N 1.58 0.88 0.42 1.98 2.12 -1.26 -5.07 118.70 119.34 1pkv s GLU 37 Ca 0.53 -1.08 -0.26 0.00 0.36 0.00 0.00 54.97 54.52 1pkv s GLU 37 Cb -0.23 -0.78 -0.09 0.00 0.26 0.00 0.00 34.13 33.30 1pkv s GLU 37 CO 0.24 0.16 1.36 0.95 -0.54 0.00 0.00 175.26 177.43 1pkv s THR 38 N -1.78 2.36 0.00 -1.70 -4.23 -1.26 -1.88 115.64 107.15 1pkv s THR 38 Ca 0.03 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1pkv s THR 38 Cb -0.07 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.58 1pkv s THR 38 CO 0.02 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1pkv n GLY 39 N 0.62 3.10 3.74 3.99 0.00 0.47 -4.98 105.19 112.13 1pkv n GLY 39 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1pkv n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkv s ALA 40 N -2.39 2.42 -0.18 4.61 0.00 -0.79 -4.65 121.76 120.79 1pkv s ALA 40 Ca 0.00 1.03 -0.09 0.00 0.00 0.00 0.00 51.96 52.90 1pkv s ALA 40 Cb 0.00 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1pkv s ALA 40 CO 0.00 -1.41 0.13 -1.12 0.00 0.00 0.00 175.76 173.36 1pkv s SER 41 N -1.64 6.21 -0.01 0.00 0.01 -1.26 -0.08 113.70 116.93 1pkv s SER 41 Ca 0.78 0.28 0.02 0.00 1.31 0.00 0.00 55.95 58.34 1pkv s SER 41 Cb -0.32 -2.07 -0.00 0.00 0.21 0.00 0.00 66.02 63.83 1pkv s SER 41 CO 0.37 0.24 -0.07 -0.69 0.41 0.00 0.00 173.24 173.50 1pkv s VAL 42 N 0.02 0.54 -0.14 3.43 1.01 -0.51 -2.61 120.40 122.14 1pkv s VAL 42 Ca 0.09 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 61.62 1pkv s VAL 42 Cb -0.11 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1pkv s VAL 42 CO -0.00 0.15 0.40 0.00 0.00 0.00 0.00 175.10 175.65 1pkv s ALA 43 N -0.14 3.52 -0.31 5.51 0.00 -0.27 -0.42 121.76 129.66 1pkv s ALA 43 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1pkv s ALA 43 Cb -0.03 -2.55 0.03 0.00 0.00 0.00 0.00 23.12 20.57 1pkv s ALA 43 CO -0.00 0.00 0.05 -1.01 0.00 0.00 0.00 175.76 174.80 1pkv s HIS 44 N 0.64 3.21 -1.37 0.00 3.76 0.12 -2.58 115.29 119.06 1pkv s HIS 44 Ca 0.22 -1.45 -0.09 0.00 -0.15 0.00 0.00 55.06 53.59 1pkv s HIS 44 Cb -0.14 -2.20 0.06 0.00 1.11 0.00 0.00 32.58 31.41 1pkv s HIS 44 CO 0.08 -0.71 0.56 0.09 -0.85 0.00 0.00 174.74 173.90 1pkv n ASN 45 N 4.76 -4.37 0.00 1.40 4.13 0.59 -1.33 115.26 120.44 1pkv n ASN 45 Ca -0.14 -0.40 0.00 0.00 1.68 0.00 0.00 54.58 55.72 1pkv n ASN 45 Cb 0.45 -3.58 0.00 0.00 -1.54 0.00 0.00 39.78 35.12 1pkv n ASN 45 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pkv n GLY 46 N -1.30 0.98 3.50 7.41 0.00 -1.26 -4.99 105.19 109.53 1pkv n GLY 46 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1pkv n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkv s LEU 49 N 2.60 2.39 -0.21 0.00 1.43 0.44 -4.95 118.68 120.39 1pkv s LEU 49 Ca 0.69 -0.80 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 1pkv s LEU 49 Cb -0.35 -0.45 -0.05 0.00 0.03 0.00 0.00 46.19 45.37 1pkv s LEU 49 CO 0.29 -0.19 0.25 -0.89 0.23 0.00 0.00 176.35 176.05 1pkv s THR 50 N -2.19 5.30 -0.11 5.49 2.01 -1.26 -1.42 115.64 123.46 1pkv s THR 50 Ca 0.07 0.41 -0.32 0.00 0.31 0.00 0.00 61.69 62.15 1pkv s THR 50 Cb -0.04 -3.59 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 1pkv s THR 50 CO 0.02 0.33 2.00 0.52 -0.69 0.00 0.00 174.62 176.80 1pkv n VAL 51 N 4.12 0.56 -0.05 3.82 0.31 0.88 -4.38 118.33 123.59 1pkv n VAL 51 Ca -0.12 -0.19 -0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1pkv n VAL 51 Cb 0.52 -2.10 -0.15 0.00 -0.91 0.00 0.00 33.84 31.20 1pkv n VAL 51 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1pkv n THR 52 N 5.93 0.83 -3.64 2.52 -2.24 0.46 -0.39 114.28 117.74 1pkv n THR 52 Ca 0.25 -0.70 -0.15 0.00 -2.27 0.00 0.00 64.05 61.19 1pkv n THR 52 Cb 0.35 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.18 1pkv n THR 52 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pkv s GLU 53 N -2.95 0.79 -0.15 -0.78 2.12 -1.22 -4.90 118.70 111.60 1pkv s GLU 53 Ca -0.08 0.69 0.00 0.00 0.36 0.00 0.00 54.97 55.94 1pkv s GLU 53 Cb 0.09 0.38 0.03 0.00 0.26 0.00 0.00 34.13 34.90 1pkv s GLU 53 CO 0.86 -0.14 -0.11 0.42 -0.54 0.00 0.00 175.26 175.75 1pkv s ILE 54 N -0.07 1.39 -0.29 -3.70 1.01 -1.26 -0.66 121.20 117.63 1pkv s ILE 54 Ca -0.03 -0.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1pkv s ILE 54 Cb -0.04 -1.39 0.09 0.00 0.01 0.00 0.00 42.46 41.13 1pkv s ILE 54 CO 0.03 0.33 0.07 0.20 0.00 0.00 0.00 174.94 175.57 1pkv s ASN 55 N 1.54 3.94 1.94 3.58 0.01 -0.40 -5.00 114.94 120.56 1pkv s ASN 55 Ca 0.03 -1.54 0.00 0.00 -0.71 0.00 0.00 52.86 50.64 1pkv s ASN 55 Cb -0.14 -0.93 0.00 0.00 0.41 0.00 0.00 41.25 40.60 1pkv s ASN 55 CO -0.09 -0.38 0.00 0.61 -1.51 0.00 0.00 177.10 175.73 1pkv n GLY 56 N 4.81 3.62 0.02 0.66 0.00 -1.26 -0.65 105.19 112.38 1pkv n GLY 56 Ca -0.03 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1pkv n GLY 56 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pkv n ASN 57 N 5.94 0.10 -4.51 1.61 3.02 -1.26 -4.83 115.26 115.34 1pkv n ASN 57 Ca 0.00 -0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.10 1pkv n ASN 57 Cb 0.00 -0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 38.80 1pkv n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1pkv s HIS 58 N -2.71 3.16 -0.16 3.10 3.76 0.17 -1.44 115.29 121.18 1pkv s HIS 58 Ca 0.23 -0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 54.95 1pkv s HIS 58 Cb 0.20 -2.92 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1pkv s HIS 58 CO 0.50 -0.64 -0.08 0.08 -0.85 0.00 0.00 174.74 173.74 1pkv s VAL 59 N 2.25 3.38 0.02 -0.90 1.01 0.44 -1.27 120.40 125.33 1pkv s VAL 59 Ca 0.15 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 1pkv s VAL 59 Cb -0.16 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1pkv s VAL 59 CO 0.14 0.49 0.25 -0.44 0.00 0.00 0.00 175.10 175.53 1pkv s SER 60 N 0.68 6.44 0.02 3.32 0.01 0.17 -1.10 113.70 123.24 1pkv s SER 60 Ca -0.04 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.70 1pkv s SER 60 Cb -0.15 -2.05 -0.02 0.00 0.21 0.00 0.00 66.02 64.01 1pkv s SER 60 CO 0.02 0.23 -0.06 -0.36 0.41 0.00 0.00 173.24 173.48 1pkv s PHE 61 N -1.36 0.54 -0.23 2.43 0.40 -0.27 -0.40 117.98 119.08 1pkv s PHE 61 Ca 0.29 -0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.18 1pkv s PHE 61 Cb -0.13 -0.33 -0.04 0.00 0.51 0.00 0.00 43.02 43.03 1pkv s PHE 61 CO 0.19 -0.07 0.08 -0.51 0.70 0.00 0.00 175.22 175.61 1pkv s ASP 62 N -1.08 5.44 -0.34 1.36 -0.00 -1.26 -0.56 116.67 120.23 1pkv s ASP 62 Ca -0.07 -0.07 -0.10 0.00 -0.00 0.00 0.00 52.55 52.32 1pkv s ASP 62 Cb -0.07 -1.96 0.01 0.00 -0.00 0.00 0.00 42.92 40.90 1pkv s ASP 62 CO 0.00 0.04 0.16 -0.76 -0.00 0.00 0.00 175.17 174.62 1pkv s LEU 63 N 1.15 4.36 0.79 1.23 1.02 0.23 -4.84 118.68 122.62 1pkv s LEU 63 Ca 0.05 -0.81 -0.11 0.00 0.02 0.00 0.00 54.13 53.28 1pkv s LEU 63 Cb -0.14 -1.98 0.06 0.00 0.02 0.00 0.00 46.19 44.15 1pkv s LEU 63 CO 0.04 -0.29 1.09 -0.04 0.02 0.00 0.00 176.35 177.17 1pkv s MET 64 N 1.55 2.17 0.24 1.70 -1.94 -1.26 -1.82 119.30 119.94 1pkv s MET 64 Ca 0.03 0.67 -0.04 0.00 -1.71 0.00 0.00 55.69 54.63 1pkv s MET 64 Cb -0.18 -1.93 0.42 0.00 2.01 0.00 0.00 34.83 35.15 1pkv s MET 64 CO 0.06 -1.57 1.78 -0.22 -0.01 0.00 0.00 175.02 175.05 1pkv h LYS 65 N -1.05 0.61 -0.54 2.03 3.64 -1.98 -1.67 116.57 117.61 1pkv h LYS 65 Ca -0.47 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 58.80 1pkv h LYS 65 Cb 1.26 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1pkv h LYS 65 CO 0.59 0.40 0.02 0.93 -2.27 0.00 0.00 179.45 179.13 1pkv h GLU 66 N 0.63 0.94 -0.44 1.90 4.39 -1.93 0.06 114.58 120.14 1pkv h GLU 66 Ca 0.40 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1pkv h GLU 66 Cb 0.47 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 1pkv h GLU 66 CO -0.31 0.94 0.28 1.15 -1.16 0.00 0.00 179.01 179.92 1pkv h THR 67 N 0.82 1.13 -0.75 1.13 2.02 -1.84 0.16 112.91 115.58 1pkv h THR 67 Ca 0.16 -0.27 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1pkv h THR 67 Cb 0.50 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1pkv h THR 67 CO 0.02 0.13 0.27 -0.07 0.37 0.00 0.00 175.52 176.24 1pkv h LEU 68 N 0.59 1.06 -0.22 2.58 3.38 -0.86 -1.88 115.31 119.96 1pkv h LEU 68 Ca 0.16 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1pkv h LEU 68 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1pkv h LEU 68 CO -0.03 0.97 0.07 -0.09 0.09 0.00 0.00 178.44 179.45 1pkv h ARG 69 N 1.11 0.34 0.07 1.13 2.43 -0.82 -3.35 114.38 115.30 1pkv h ARG 69 Ca 0.25 -0.07 -0.24 0.00 -0.81 0.00 0.00 59.98 59.10 1pkv h ARG 69 Cb 0.26 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1pkv h ARG 69 CO -0.01 0.43 -1.11 0.82 -1.51 0.00 0.00 179.97 178.58 1pkv h ILE 70 N 0.19 1.54 -0.68 1.20 2.04 -0.85 -3.47 117.51 117.48 1pkv h ILE 70 Ca 0.07 -3.03 -0.51 0.00 1.00 0.00 0.00 64.86 62.39 1pkv h ILE 70 Cb 0.23 2.81 0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1pkv h ILE 70 CO -0.00 0.88 -0.12 0.42 0.00 0.00 0.00 178.15 179.32 1pkv s THR 71 N -2.80 1.98 -2.29 -0.27 -4.23 -0.72 -5.01 115.64 102.29 1pkv s THR 71 Ca -0.03 -1.09 0.22 0.00 -1.18 0.00 0.00 61.69 59.61 1pkv s THR 71 Cb 0.08 -2.07 0.48 0.00 1.34 0.00 0.00 72.50 72.33 1pkv s THR 71 CO 0.86 0.00 1.59 -0.46 -0.54 0.00 0.00 174.62 176.07 1pkv n ASN 72 N -2.19 1.56 0.27 3.99 0.23 -1.26 -4.34 115.26 113.52 1pkv n ASN 72 Ca 0.13 -1.66 0.16 0.00 -0.53 0.00 0.00 54.58 52.67 1pkv n ASN 72 Cb 0.62 -0.09 0.70 0.00 -2.08 0.00 0.00 39.78 38.93 1pkv n ASN 72 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1pkv h LEU 73 N 2.13 0.00 -1.59 -4.53 3.38 -1.85 -1.85 115.31 110.99 1pkv h LEU 73 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1pkv h LEU 73 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1pkv h LEU 73 CO 0.00 0.07 -0.21 1.23 0.09 0.00 0.00 178.44 179.62 1pkv h GLY 74 N 1.69 0.00 0.65 0.83 0.00 -1.76 -3.07 103.07 101.42 1pkv h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pkv h GLY 74 CO 0.01 0.00 -0.21 1.22 0.00 0.00 0.00 176.54 177.55 1pkv n ASP 75 N -4.27 0.71 -4.75 0.19 8.00 -0.70 -4.93 116.55 110.81 1pkv n ASP 75 Ca -0.02 -0.64 -0.36 0.00 0.71 0.00 0.00 54.79 54.48 1pkv n ASP 75 Cb 0.27 0.04 0.04 0.00 -0.02 0.00 0.00 41.12 41.45 1pkv n ASP 75 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pkv s LEU 76 N -2.57 3.61 0.22 0.64 1.43 -1.16 -5.05 118.68 115.80 1pkv s LEU 76 Ca 0.24 2.36 0.11 0.00 -1.03 0.00 0.00 54.13 55.81 1pkv s LEU 76 Cb 0.19 -4.59 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 1pkv s LEU 76 CO 0.52 -1.67 -0.21 -0.54 0.23 0.00 0.00 176.35 174.69 1pkv s LYS 77 N -3.44 1.50 0.20 1.70 -0.14 -1.26 -5.08 119.74 113.22 1pkv s LYS 77 Ca 0.76 -1.59 -0.32 0.00 -1.36 0.00 0.00 55.97 53.46 1pkv s LYS 77 Cb -0.30 -1.65 -0.14 0.00 -1.68 0.00 0.00 37.83 34.06 1pkv s LYS 77 CO 0.35 0.33 1.43 0.28 -0.76 0.00 0.00 175.35 176.98 1pkv n VAL 78 N -0.07 0.62 0.00 3.17 0.31 -1.26 -1.65 118.33 119.45 1pkv n VAL 78 Ca -0.10 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1pkv n VAL 78 Cb 0.58 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 1pkv n VAL 78 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pkv n GLY 79 N 2.52 0.71 3.81 2.92 0.00 0.23 -5.00 105.19 110.38 1pkv n GLY 79 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1pkv n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkv s ASP 80 N -1.94 6.38 -0.15 1.61 -0.00 -0.66 -4.74 116.67 117.18 1pkv s ASP 80 Ca 0.00 1.79 -0.07 0.00 -0.00 0.00 0.00 52.55 54.28 1pkv s ASP 80 Cb 0.00 -2.54 -0.04 0.00 -0.00 0.00 0.00 42.92 40.34 1pkv s ASP 80 CO 0.00 -0.75 0.08 0.26 -0.00 0.00 0.00 175.17 174.76 1pkv s TRP 81 N -2.24 3.34 -0.05 4.23 0.52 -1.26 -0.19 118.94 123.29 1pkv s TRP 81 Ca 0.64 0.25 0.04 0.00 0.02 0.00 0.00 56.10 57.04 1pkv s TRP 81 Cb -0.14 -2.00 -0.03 0.00 -1.15 0.00 0.00 33.47 30.16 1pkv s TRP 81 CO 0.24 0.38 -0.14 0.14 0.02 0.00 0.00 176.95 177.59 1pkv s VAL 82 N -0.22 3.08 0.29 4.03 -7.23 0.06 -4.87 120.40 115.54 1pkv s VAL 82 Ca 0.09 -0.72 -0.30 0.00 -1.81 0.00 0.00 61.98 59.24 1pkv s VAL 82 Cb -0.12 -2.21 -0.11 0.00 0.56 0.00 0.00 36.38 34.51 1pkv s VAL 82 CO 0.01 0.59 1.48 0.20 -0.31 0.00 0.00 175.10 177.08 1pkv s ASN 83 N -0.73 6.53 0.02 4.85 0.01 -1.26 -0.69 114.94 123.66 1pkv s ASN 83 Ca 0.11 2.81 0.04 0.00 -0.71 0.00 0.00 52.86 55.12 1pkv s ASN 83 Cb -0.11 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 38.90 1pkv s ASN 83 CO 0.00 -0.78 -0.14 0.68 -1.51 0.00 0.00 177.10 175.36 1pkv s VAL 84 N -0.27 1.07 -0.15 1.60 -7.23 -0.15 -0.30 120.40 114.97 1pkv s VAL 84 Ca 0.59 -0.80 -0.07 0.00 -1.81 0.00 0.00 61.98 59.88 1pkv s VAL 84 Cb -0.44 -0.94 0.06 0.00 0.56 0.00 0.00 36.38 35.62 1pkv s VAL 84 CO 0.48 0.13 0.34 -0.70 -0.31 0.00 0.00 175.10 175.05 1pkv s GLU 85 N -0.77 0.29 0.38 4.82 2.12 -1.07 -1.87 118.70 122.61 1pkv s GLU 85 Ca 0.03 0.73 -0.21 0.00 0.36 0.00 0.00 54.97 55.88 1pkv s GLU 85 Cb -0.07 -0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.21 1pkv s GLU 85 CO 0.00 -0.19 0.90 1.03 -0.54 0.00 0.00 175.26 176.47 1pkv s ARG 86 N 1.62 4.28 0.00 4.30 0.52 -1.26 -1.12 118.95 127.29 1pkv s ARG 86 Ca -0.07 1.08 0.25 0.00 -0.52 0.00 0.00 55.73 56.47 1pkv s ARG 86 Cb -0.10 -2.39 1.46 0.00 0.52 0.00 0.00 34.95 34.44 1pkv s ARG 86 CO -0.11 0.09 1.83 0.00 0.02 0.00 0.00 175.30 177.13