#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 1.91 -0.24 2.03 0.40 -1.26 -4.60 117.98 116.22 1pkv s PHE 2 Ca 0.00 -0.37 0.21 0.00 -0.60 0.00 0.00 56.93 56.17 1pkv s PHE 2 Cb 0.00 -1.20 0.03 0.00 0.51 0.00 0.00 43.02 42.36 1pkv s PHE 2 CO 0.00 0.02 1.11 1.79 0.70 0.00 0.00 175.22 178.84 1pkv h THR 3 N 4.51 0.16 0.00 0.64 1.35 -2.00 -3.48 112.91 114.09 1pkv h THR 3 Ca -0.41 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1pkv h THR 3 Cb 1.14 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1pkv h THR 3 CO 0.46 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 1pkv n GLY 4 N 1.22 0.84 3.45 5.82 0.00 -1.26 -5.00 105.19 110.25 1pkv n GLY 4 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.27 4.41 0.35 -0.61 1.01 -1.26 -5.01 121.20 116.81 1pkv s ILE 5 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 1pkv s ILE 5 Cb 0.00 -4.69 -0.11 0.00 0.01 0.00 0.00 42.46 37.67 1pkv s ILE 5 CO 0.00 -1.45 1.38 -0.69 0.00 0.00 0.00 174.94 174.18 1pkv s VAL 6 N 3.80 2.46 -0.89 2.92 1.01 -1.26 -4.90 120.40 123.53 1pkv s VAL 6 Ca 0.23 0.46 0.22 0.00 0.00 0.00 0.00 61.98 62.89 1pkv s VAL 6 Cb -0.15 -3.29 -0.17 0.00 0.00 0.00 0.00 36.38 32.76 1pkv s VAL 6 CO 0.07 0.11 0.99 0.00 0.00 0.00 0.00 175.10 176.27 1pkv n GLN 7 N 0.73 0.08 -3.87 2.72 6.02 -0.86 -5.04 117.38 117.17 1pkv n GLN 7 Ca 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1pkv n GLN 7 Cb 0.41 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1pkv n GLN 7 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pkv n GLY 8 N 1.47 -1.59 3.64 1.08 0.00 -1.23 -5.03 105.19 103.53 1pkv n GLY 8 Ca 0.04 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.83 3.60 -0.00 2.61 -4.23 -1.26 -2.00 115.64 111.51 1pkv s THR 9 Ca 0.00 -1.50 0.03 0.00 -1.18 0.00 0.00 61.69 59.04 1pkv s THR 9 Cb 0.00 -2.81 -0.01 0.00 1.34 0.00 0.00 72.50 71.02 1pkv s THR 9 CO 0.00 -0.12 -0.09 0.00 -0.54 0.00 0.00 174.62 173.87 1pkv s ALA 10 N -1.76 0.73 0.03 3.99 0.00 -0.32 -4.48 121.76 119.95 1pkv s ALA 10 Ca 0.27 -0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.57 1pkv s ALA 10 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1pkv s ALA 10 CO 0.18 0.17 0.83 0.21 0.00 0.00 0.00 175.76 177.15 1pkv s LYS 11 N -0.27 4.53 -0.46 0.00 2.20 -1.23 -0.58 119.74 123.94 1pkv s LYS 11 Ca 0.03 1.17 -0.28 0.00 -0.36 0.00 0.00 55.97 56.53 1pkv s LYS 11 Cb -0.04 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 1pkv s LYS 11 CO -0.00 0.16 1.52 -1.17 -0.36 0.00 0.00 175.35 175.50 1pkv s LEU 12 N 0.32 3.49 0.00 5.43 0.20 0.89 -1.21 118.68 127.81 1pkv s LEU 12 Ca 0.42 0.72 0.24 0.00 0.69 0.00 0.00 54.13 56.20 1pkv s LEU 12 Cb -0.21 -3.32 0.18 0.00 -0.43 0.00 0.00 46.19 42.42 1pkv s LEU 12 CO 0.24 -1.64 1.23 1.33 -0.29 0.00 0.00 176.35 177.23 1pkv n VAL 13 N 7.09 0.00 -3.64 1.68 0.24 0.01 0.49 118.33 124.21 1pkv n VAL 13 Ca 0.17 -0.37 -0.04 0.00 -2.04 0.00 0.00 64.34 62.06 1pkv n VAL 13 Cb 0.48 1.29 -0.07 0.00 -1.47 0.00 0.00 33.84 34.08 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 -2.22 -0.28 -0.24 -1.34 0.15 -1.15 -4.92 113.70 103.70 1pkv s SER 14 Ca 0.24 0.51 -0.00 0.00 0.70 0.00 0.00 55.95 57.41 1pkv s SER 14 Cb 0.19 0.71 0.07 0.00 -1.71 0.00 0.00 66.02 65.28 1pkv s SER 14 CO 0.43 -0.09 -0.00 -0.63 1.20 0.00 0.00 173.24 174.15 1pkv s ILE 15 N 0.48 1.25 -0.38 6.45 1.01 -1.26 -0.53 121.20 128.22 1pkv s ILE 15 Ca 0.01 -1.17 -0.17 0.00 0.00 0.00 0.00 60.65 59.31 1pkv s ILE 15 Cb -0.04 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.77 1pkv s ILE 15 CO -0.11 -0.24 0.46 -1.81 0.00 0.00 0.00 174.94 173.24 1pkv s ASP 16 N 1.50 6.24 -0.28 3.58 1.01 -0.49 -4.94 116.67 123.30 1pkv s ASP 16 Ca -0.01 -0.33 -0.29 0.00 0.71 0.00 0.00 52.55 52.63 1pkv s ASP 16 Cb -0.18 -2.24 -0.01 0.00 1.01 0.00 0.00 42.92 41.50 1pkv s ASP 16 CO -0.09 -0.51 1.37 -1.61 0.21 0.00 0.00 175.17 174.53 1pkv s GLU 17 N 2.26 3.90 0.56 8.23 0.41 -1.26 -0.88 118.70 131.91 1pkv s GLU 17 Ca 0.15 1.35 0.06 0.00 -0.41 0.00 0.00 54.97 56.12 1pkv s GLU 17 Cb -0.16 -3.91 0.05 0.00 -1.78 0.00 0.00 34.13 28.33 1pkv s GLU 17 CO 0.14 -1.15 0.47 0.15 -0.49 0.00 0.00 175.26 174.38 1pkv s LYS 18 N 4.26 2.25 0.10 1.61 1.02 -0.40 -5.01 119.74 123.57 1pkv s LYS 18 Ca 0.59 -1.98 -0.21 0.00 0.02 0.00 0.00 55.97 54.40 1pkv s LYS 18 Cb -0.19 -2.17 -0.10 0.00 -0.52 0.00 0.00 37.83 34.85 1pkv s LYS 18 CO 0.24 -0.68 1.72 -1.35 -0.92 0.00 0.00 175.35 174.36 1pkv h PRO 19 N 0.64 0.20 -0.16 -1.68 0.11 -2.04 -3.31 132.00 125.76 1pkv h PRO 19 Ca -0.35 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1pkv h PRO 19 Cb 1.30 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1pkv h PRO 19 CO 0.54 0.19 0.00 0.09 -0.21 0.00 0.00 178.00 178.61 1pkv n ASN 20 N -4.95 2.68 -2.34 -2.05 3.02 -1.26 -5.06 115.26 105.30 1pkv n ASN 20 Ca -0.04 -1.79 -0.06 0.00 -0.03 0.00 0.00 54.58 52.66 1pkv n ASN 20 Cb 0.06 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1pkv n ASN 20 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1pkv n PHE 21 N 0.98 -1.90 -4.56 3.10 -1.74 -1.25 -4.19 117.46 107.90 1pkv n PHE 21 Ca 0.12 -1.30 -0.21 0.00 -0.56 0.00 0.00 57.45 55.49 1pkv n PHE 21 Cb 0.45 0.65 -0.15 0.00 1.52 0.00 0.00 39.48 41.95 1pkv n PHE 21 CO 0.00 0.00 0.00 0.50 -0.56 0.00 0.00 176.76 176.70 1pkv s ARG 22 N -2.06 1.03 -0.17 3.97 3.52 -0.63 -1.28 118.95 123.33 1pkv s ARG 22 Ca 0.12 -0.48 -0.08 0.00 -0.13 0.00 0.00 55.73 55.16 1pkv s ARG 22 Cb -0.03 -0.99 -0.04 0.00 -1.56 0.00 0.00 34.95 32.32 1pkv s ARG 22 CO 0.08 0.27 0.11 0.99 -0.81 0.00 0.00 175.30 175.95 1pkv s THR 23 N -0.34 5.28 -0.17 4.11 2.01 -0.06 0.79 115.64 127.26 1pkv s THR 23 Ca 0.05 0.14 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 1pkv s THR 23 Cb -0.05 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 1pkv s THR 23 CO -0.00 0.51 -0.03 -1.00 -0.69 0.00 0.00 174.62 173.41 1pkv s HIS 24 N -0.11 3.03 -0.23 4.92 3.76 0.43 -1.40 115.29 125.69 1pkv s HIS 24 Ca 0.09 -0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 54.54 1pkv s HIS 24 Cb -0.12 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 1pkv s HIS 24 CO 0.00 -0.12 0.10 0.08 -0.85 0.00 0.00 174.74 173.95 1pkv s VAL 25 N 0.61 4.83 0.13 -0.90 1.01 0.31 -1.41 120.40 124.98 1pkv s VAL 25 Ca -0.02 -0.01 0.11 0.00 0.00 0.00 0.00 61.98 62.06 1pkv s VAL 25 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1pkv s VAL 25 CO 0.02 0.37 -0.25 0.68 0.00 0.00 0.00 175.10 175.92 1pkv s VAL 26 N 1.06 2.38 -0.55 2.92 -7.23 -0.00 -0.81 120.40 118.17 1pkv s VAL 26 Ca 0.05 -1.71 -0.20 0.00 -1.81 0.00 0.00 61.98 58.32 1pkv s VAL 26 Cb -0.14 -2.06 0.07 0.00 0.56 0.00 0.00 36.38 34.81 1pkv s VAL 26 CO 0.04 0.09 0.70 -0.70 -0.31 0.00 0.00 175.10 174.92 1pkv s GLU 27 N -2.08 3.11 0.39 4.82 2.12 -0.35 -0.40 118.70 126.31 1pkv s GLU 27 Ca 0.15 -0.99 -0.23 0.00 0.36 0.00 0.00 54.97 54.25 1pkv s GLU 27 Cb -0.10 -4.16 -0.10 0.00 0.26 0.00 0.00 34.13 30.02 1pkv s GLU 27 CO 0.07 -1.40 0.98 -0.51 -0.54 0.00 0.00 175.26 173.85 1pkv s LEU 28 N 2.87 4.12 0.33 2.70 1.43 0.09 -3.52 118.68 126.70 1pkv s LEU 28 Ca 0.15 1.83 -0.28 0.00 -1.03 0.00 0.00 54.13 54.81 1pkv s LEU 28 Cb -0.20 -4.28 -0.13 0.00 0.03 0.00 0.00 46.19 41.61 1pkv s LEU 28 CO 0.10 -0.31 1.23 -2.65 0.23 0.00 0.00 176.35 174.95 1pkv n PRO 29 N -0.12 1.96 -0.32 1.29 -0.02 -1.26 -4.90 135.00 131.62 1pkv n PRO 29 Ca 0.05 0.69 0.13 0.00 -2.02 0.00 0.00 63.50 62.35 1pkv n PRO 29 Cb 0.52 -2.22 0.32 0.00 -0.02 0.00 0.00 33.50 32.09 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 2.42 0.52 0.15 2.55 3.32 -1.97 -1.04 116.42 122.37 1pkv h ASP 30 Ca -0.45 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1pkv h ASP 30 Cb 1.30 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.91 1pkv h ASP 30 CO 0.62 0.10 0.00 0.00 -1.72 0.00 0.00 179.24 178.24 1pkv n HIS 31 N -4.93 0.00 0.61 4.55 1.44 -1.26 -2.21 115.22 113.41 1pkv n HIS 31 Ca 0.23 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 56.03 1pkv n HIS 31 Cb 0.63 -0.24 -0.12 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.24 0.87 0.06 -1.40 2.81 -0.39 -4.50 117.12 113.33 1pkv n MET 32 Ca 0.05 -0.05 0.13 0.00 -1.81 0.00 0.00 57.70 56.01 1pkv n MET 32 Cb 0.07 -1.38 0.48 0.00 -0.71 0.00 0.00 33.22 31.68 1pkv n MET 32 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1pkv n LEU 33 N -1.64 0.42 -4.58 4.03 4.77 -0.94 -4.57 117.00 114.50 1pkv n LEU 33 Ca 0.01 0.55 -0.42 0.00 -0.03 0.00 0.00 56.01 56.13 1pkv n LEU 33 Cb 0.34 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1pkv n LEU 33 CO 0.38 -0.17 1.27 -0.62 -1.33 0.00 0.00 177.39 176.92 1pkv s ASP 34 N -3.79 6.11 0.00 -1.43 2.15 -1.26 -2.73 116.67 115.71 1pkv s ASP 34 Ca 0.11 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.45 1pkv s ASP 34 Cb 0.14 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1pkv s ASP 34 CO 0.51 -1.71 0.00 0.61 -0.17 0.00 0.00 175.17 174.41 1pkv n GLY 35 N 5.27 0.73 3.65 2.66 0.00 -1.26 -5.03 105.19 111.20 1pkv n GLY 35 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 4.18 0.17 0.99 2.96 -1.11 -5.03 118.68 120.85 1pkv s LEU 36 Ca 0.00 1.92 0.09 0.00 -0.22 0.00 0.00 54.13 55.92 1pkv s LEU 36 Cb 0.00 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.11 1pkv s LEU 36 CO 0.00 -0.94 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.29 1pkv s GLU 37 N 3.99 1.32 0.37 1.98 2.02 -1.26 -5.06 118.70 122.06 1pkv s GLU 37 Ca 0.67 -1.44 -0.28 0.00 0.02 0.00 0.00 54.97 53.93 1pkv s GLU 37 Cb -0.28 -1.39 -0.11 0.00 0.10 0.00 0.00 34.13 32.45 1pkv s GLU 37 CO 0.24 0.28 1.43 0.25 0.02 0.00 0.00 175.26 177.49 1pkv n THR 38 N 0.22 1.99 0.00 3.63 -2.24 -1.26 -1.73 114.28 114.90 1pkv n THR 38 Ca -0.13 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 1pkv n THR 38 Cb 0.57 -1.86 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 1pkv n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkv n GLY 39 N 0.55 3.13 3.77 3.38 0.00 0.46 -4.97 105.19 111.52 1pkv n GLY 39 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.89 2.99 -0.19 4.61 0.00 -0.70 -4.59 121.76 120.99 1pkv s ALA 40 Ca 0.00 1.01 -0.19 0.00 0.00 0.00 0.00 51.96 52.77 1pkv s ALA 40 Cb 0.00 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1pkv s ALA 40 CO 0.00 -0.74 0.55 -1.12 0.00 0.00 0.00 175.76 174.45 1pkv s SER 41 N -1.25 6.62 -0.06 0.00 0.01 -1.26 0.36 113.70 118.13 1pkv s SER 41 Ca 0.63 0.75 0.04 0.00 1.31 0.00 0.00 55.95 58.68 1pkv s SER 41 Cb -0.31 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1pkv s SER 41 CO 0.38 -0.19 -0.17 -0.69 0.41 0.00 0.00 173.24 172.98 1pkv s VAL 42 N 1.59 1.46 -0.17 3.43 1.01 -0.50 -2.22 120.40 125.00 1pkv s VAL 42 Ca 0.26 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 1pkv s VAL 42 Cb -0.16 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 1pkv s VAL 42 CO 0.10 0.42 0.46 0.00 0.00 0.00 0.00 175.10 176.09 1pkv s ALA 43 N 0.27 3.53 -0.34 5.51 0.00 -0.36 -1.08 121.76 129.30 1pkv s ALA 43 Ca -0.10 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.37 1pkv s ALA 43 Cb -0.14 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.28 1pkv s ALA 43 CO 0.04 -0.25 0.21 -1.01 0.00 0.00 0.00 175.76 174.75 1pkv s HIS 44 N 1.19 3.21 -1.47 0.00 3.76 0.13 -2.42 115.29 119.70 1pkv s HIS 44 Ca 0.23 -0.44 -0.14 0.00 -0.15 0.00 0.00 55.06 54.56 1pkv s HIS 44 Cb -0.15 -2.44 0.11 0.00 1.11 0.00 0.00 32.58 31.21 1pkv s HIS 44 CO 0.09 -0.44 0.66 0.09 -0.85 0.00 0.00 174.74 174.30 1pkv n ASN 45 N 5.06 -3.62 0.00 1.40 3.02 0.70 -1.04 115.26 120.77 1pkv n ASN 45 Ca -0.13 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 1pkv n ASN 45 Cb 0.49 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.68 1pkv n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pkv n GLY 46 N -1.30 1.20 3.58 7.41 0.00 -1.26 -5.02 105.19 109.79 1pkv n GLY 46 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 3.60 2.30 -0.19 0.00 1.43 -0.24 -4.94 118.68 120.64 1pkv s LEU 49 Ca 0.74 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 1pkv s LEU 49 Cb -0.36 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 1pkv s LEU 49 CO 0.31 -0.08 0.20 -0.89 0.23 0.00 0.00 176.35 176.13 1pkv s THR 50 N -1.41 5.36 -0.02 5.49 2.01 -1.26 -1.41 115.64 124.40 1pkv s THR 50 Ca 0.01 0.33 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1pkv s THR 50 Cb -0.09 -3.54 -0.08 0.00 0.01 0.00 0.00 72.50 68.80 1pkv s THR 50 CO 0.03 0.40 2.01 -0.69 -0.69 0.00 0.00 174.62 175.68 1pkv s VAL 51 N 0.53 3.03 -0.11 3.82 1.01 0.16 -4.32 120.40 124.52 1pkv s VAL 51 Ca 0.11 0.03 0.21 0.00 0.00 0.00 0.00 61.98 62.33 1pkv s VAL 51 Cb -0.12 -3.02 -0.31 0.00 0.00 0.00 0.00 36.38 32.92 1pkv s VAL 51 CO 0.01 -0.01 0.48 0.35 0.00 0.00 0.00 175.10 175.94 1pkv n THR 52 N 5.99 0.00 -3.58 3.92 -2.24 0.22 -0.40 114.28 118.18 1pkv n THR 52 Ca 0.22 -0.43 -0.14 0.00 -2.27 0.00 0.00 64.05 61.43 1pkv n THR 52 Cb 0.42 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -3.38 0.80 -0.15 -0.78 2.12 -1.21 -4.95 118.70 111.15 1pkv s GLU 53 Ca -0.06 0.50 -0.01 0.00 0.36 0.00 0.00 54.97 55.76 1pkv s GLU 53 Cb 0.13 0.38 0.04 0.00 0.26 0.00 0.00 34.13 34.95 1pkv s GLU 53 CO 0.85 -0.19 -0.01 0.42 -0.54 0.00 0.00 175.26 175.79 1pkv s ILE 54 N -0.48 0.78 -0.49 -3.70 1.01 -1.26 -1.27 121.20 115.79 1pkv s ILE 54 Ca -0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1pkv s ILE 54 Cb -0.02 -1.05 0.13 0.00 0.01 0.00 0.00 42.46 41.53 1pkv s ILE 54 CO 0.03 0.06 0.27 0.20 0.00 0.00 0.00 174.94 175.50 1pkv s ASN 55 N 1.77 4.95 1.36 3.58 0.01 -0.58 -5.02 114.94 121.01 1pkv s ASN 55 Ca 0.01 -2.55 0.00 0.00 -0.71 0.00 0.00 52.86 49.61 1pkv s ASN 55 Cb -0.15 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 39.75 1pkv s ASN 55 CO -0.07 -0.39 0.00 0.61 -1.51 0.00 0.00 177.10 175.74 1pkv n GLY 56 N 3.83 2.34 0.60 0.66 0.00 -1.26 -1.07 105.19 110.29 1pkv n GLY 56 Ca 0.04 -0.15 0.05 0.00 0.00 0.00 0.00 46.02 45.97 1pkv n GLY 56 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1pkv n ASN 57 N 9.79 2.91 -4.51 1.61 6.94 -1.26 -4.91 115.26 125.83 1pkv n ASN 57 Ca 0.00 -2.07 -0.42 0.00 -0.02 0.00 0.00 54.58 52.07 1pkv n ASN 57 Cb 0.00 -0.23 -0.09 0.00 -2.36 0.00 0.00 39.78 37.10 1pkv n ASN 57 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1pkv s HIS 58 N -1.12 3.17 -0.13 -2.53 3.76 -0.23 -0.73 115.29 117.48 1pkv s HIS 58 Ca 0.22 -0.20 0.01 0.00 -0.15 0.00 0.00 55.06 54.94 1pkv s HIS 58 Cb 0.12 -2.88 -0.01 0.00 1.11 0.00 0.00 32.58 30.92 1pkv s HIS 58 CO 0.14 -0.63 -0.17 0.08 -0.85 0.00 0.00 174.74 173.31 1pkv s VAL 59 N 2.20 2.69 -0.05 -0.90 1.01 0.47 -1.53 120.40 124.29 1pkv s VAL 59 Ca 0.14 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1pkv s VAL 59 Cb -0.16 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 1pkv s VAL 59 CO 0.14 0.53 0.12 -0.44 0.00 0.00 0.00 175.10 175.45 1pkv s SER 60 N 0.43 6.01 0.01 3.32 0.01 -0.40 -0.82 113.70 122.27 1pkv s SER 60 Ca -0.12 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1pkv s SER 60 Cb -0.16 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.22 1pkv s SER 60 CO 0.06 0.32 -0.02 -0.36 0.41 0.00 0.00 173.24 173.64 1pkv s PHE 61 N -1.15 0.20 -0.19 2.43 0.40 -0.50 -0.61 117.98 118.56 1pkv s PHE 61 Ca 0.21 -0.36 -0.06 0.00 -0.60 0.00 0.00 56.93 56.12 1pkv s PHE 61 Cb -0.12 -0.14 -0.03 0.00 0.51 0.00 0.00 43.02 43.24 1pkv s PHE 61 CO 0.11 -0.13 0.02 -0.51 0.70 0.00 0.00 175.22 175.41 1pkv s ASP 62 N -1.01 5.09 -0.26 1.36 -0.00 -1.26 -0.43 116.67 120.17 1pkv s ASP 62 Ca -0.11 -0.10 -0.06 0.00 -0.00 0.00 0.00 52.55 52.28 1pkv s ASP 62 Cb -0.07 -1.87 -0.01 0.00 -0.00 0.00 0.00 42.92 40.98 1pkv s ASP 62 CO -0.01 0.11 0.03 -0.76 -0.00 0.00 0.00 175.17 174.54 1pkv s LEU 63 N 0.75 3.40 0.79 1.23 1.02 0.24 -4.82 118.68 121.28 1pkv s LEU 63 Ca 0.01 -0.49 -0.11 0.00 0.02 0.00 0.00 54.13 53.56 1pkv s LEU 63 Cb -0.14 -1.83 0.06 0.00 0.02 0.00 0.00 46.19 44.30 1pkv s LEU 63 CO 0.02 -0.09 1.08 -0.04 0.02 0.00 0.00 176.35 177.34 1pkv s MET 64 N 1.51 2.17 0.25 1.70 -1.94 -1.26 -1.60 119.30 120.13 1pkv s MET 64 Ca 0.04 0.90 -0.03 0.00 -1.71 0.00 0.00 55.69 54.89 1pkv s MET 64 Cb -0.16 -1.91 0.42 0.00 2.01 0.00 0.00 34.83 35.20 1pkv s MET 64 CO 0.01 -1.63 1.82 0.87 -0.01 0.00 0.00 175.02 176.08 1pkv h LYS 65 N -1.10 0.83 -0.61 2.03 1.57 -1.97 -2.39 116.57 114.92 1pkv h LYS 65 Ca -0.46 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 1pkv h LYS 65 Cb 1.25 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 1pkv h LYS 65 CO 0.56 0.55 0.32 1.05 -0.57 0.00 0.00 179.45 181.36 1pkv h GLU 66 N 0.86 0.86 -0.71 3.15 4.11 -1.96 -1.34 114.58 119.56 1pkv h GLU 66 Ca 0.42 -0.11 0.06 0.00 0.07 0.00 0.00 59.36 59.80 1pkv h GLU 66 Cb 0.37 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1pkv h GLU 66 CO -0.24 0.67 0.40 1.15 0.07 0.00 0.00 179.01 181.06 1pkv h THR 67 N 0.83 0.96 -0.56 -1.06 2.02 -1.87 -0.55 112.91 112.70 1pkv h THR 67 Ca 0.21 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 1pkv h THR 67 Cb 0.07 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 1pkv h THR 67 CO -0.03 0.13 0.16 -0.07 0.37 0.00 0.00 175.52 176.08 1pkv h LEU 68 N 0.73 0.77 0.03 2.58 3.38 -1.12 -2.40 115.31 119.28 1pkv h LEU 68 Ca 0.32 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 1pkv h LEU 68 Cb 0.21 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pkv h LEU 68 CO -0.19 0.74 -0.59 -0.09 0.09 0.00 0.00 178.44 178.40 1pkv h ARG 69 N 0.81 0.35 0.00 1.13 2.43 -0.68 -3.29 114.38 115.13 1pkv h ARG 69 Ca 0.18 -0.41 -0.09 0.00 -0.81 0.00 0.00 59.98 58.85 1pkv h ARG 69 Cb 0.26 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1pkv h ARG 69 CO -0.01 1.11 -0.42 0.82 -1.51 0.00 0.00 179.97 179.96 1pkv h ILE 70 N -0.23 1.28 -0.84 1.20 2.04 -1.14 -3.46 117.51 116.36 1pkv h ILE 70 Ca -0.08 -1.45 -0.62 0.00 1.00 0.00 0.00 64.86 63.71 1pkv h ILE 70 Cb 1.34 1.79 -0.10 0.00 -0.74 0.00 0.00 36.82 39.10 1pkv h ILE 70 CO 0.11 0.41 -0.47 0.42 0.00 0.00 0.00 178.15 178.63 1pkv s THR 71 N -4.05 1.64 -2.05 -0.27 -4.23 -0.91 -5.01 115.64 100.76 1pkv s THR 71 Ca -0.02 -1.80 0.22 0.00 -1.18 0.00 0.00 61.69 58.91 1pkv s THR 71 Cb 0.14 -2.44 0.60 0.00 1.34 0.00 0.00 72.50 72.14 1pkv s THR 71 CO 0.73 0.00 1.80 -0.46 -0.54 0.00 0.00 174.62 176.15 1pkv n ASN 72 N -1.36 0.26 0.24 3.99 0.23 -1.26 -3.86 115.26 113.50 1pkv n ASN 72 Ca -0.09 -1.37 0.11 0.00 -0.53 0.00 0.00 54.58 52.70 1pkv n ASN 72 Cb 0.66 -0.01 0.55 0.00 -2.08 0.00 0.00 39.78 38.89 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 0.37 0.00 -2.03 -4.53 3.38 -1.84 -1.58 115.31 109.07 1pkv h LEU 73 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pkv h LEU 73 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1pkv h LEU 73 CO 0.00 0.19 0.02 1.23 0.09 0.00 0.00 178.44 179.97 1pkv h GLY 74 N 1.72 0.00 -0.27 0.83 0.00 -1.67 -3.00 103.07 100.68 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 0.02 0.00 -0.16 1.22 0.00 0.00 0.00 176.54 177.62 1pkv n ASP 75 N -4.49 1.42 -4.73 0.19 8.00 -0.60 -4.95 116.55 111.40 1pkv n ASP 75 Ca -0.02 -1.25 -0.35 0.00 0.71 0.00 0.00 54.79 53.88 1pkv n ASP 75 Cb 0.12 0.10 0.08 0.00 -0.02 0.00 0.00 41.12 41.40 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 -2.28 3.43 0.13 0.64 1.43 -1.14 -5.04 118.68 115.85 1pkv s LEU 76 Ca 0.29 2.43 0.08 0.00 -1.03 0.00 0.00 54.13 55.91 1pkv s LEU 76 Cb 0.20 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.78 1pkv s LEU 76 CO 0.44 -2.10 -0.20 -1.59 0.23 0.00 0.00 176.35 173.12 1pkv s LYS 77 N -3.69 1.20 0.10 1.70 -2.85 -1.26 -5.07 119.74 109.86 1pkv s LYS 77 Ca 0.77 -1.27 -0.35 0.00 -1.00 0.00 0.00 55.97 54.12 1pkv s LYS 77 Cb -0.31 -1.39 -0.17 0.00 -2.06 0.00 0.00 37.83 33.89 1pkv s LYS 77 CO 0.42 0.31 1.09 0.28 0.10 0.00 0.00 175.35 177.55 1pkv n VAL 78 N 0.76 0.57 -0.07 1.79 0.31 -1.26 -1.57 118.33 118.86 1pkv n VAL 78 Ca -0.17 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1pkv n VAL 78 Cb 0.55 -0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 1.96 0.85 3.84 2.92 0.00 0.18 -5.00 105.19 109.95 1pkv n GLY 79 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.69 6.06 -0.15 1.61 -0.00 -0.61 -4.77 116.67 116.13 1pkv s ASP 80 Ca 0.00 1.54 -0.03 0.00 -0.00 0.00 0.00 52.55 54.06 1pkv s ASP 80 Cb 0.00 -2.49 -0.03 0.00 -0.00 0.00 0.00 42.92 40.40 1pkv s ASP 80 CO 0.00 -0.98 -0.03 0.26 -0.00 0.00 0.00 175.17 174.42 1pkv s TRP 81 N -2.95 3.04 -0.10 4.23 0.52 -1.26 -0.07 118.94 122.34 1pkv s TRP 81 Ca 0.57 -0.24 0.00 0.00 0.02 0.00 0.00 56.10 56.46 1pkv s TRP 81 Cb -0.12 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 1pkv s TRP 81 CO 0.48 0.02 -0.09 0.14 0.02 0.00 0.00 176.95 177.52 1pkv s VAL 82 N 0.22 3.49 0.26 4.03 -7.23 0.26 -4.89 120.40 116.54 1pkv s VAL 82 Ca -0.02 -0.53 -0.30 0.00 -1.81 0.00 0.00 61.98 59.32 1pkv s VAL 82 Cb -0.14 -2.45 -0.14 0.00 0.56 0.00 0.00 36.38 34.21 1pkv s VAL 82 CO 0.03 0.56 1.21 0.59 -0.31 0.00 0.00 175.10 177.17 1pkv n ASN 83 N 2.84 1.99 -4.04 4.85 3.02 -1.26 -1.17 115.26 121.49 1pkv n ASN 83 Ca -0.18 1.17 -0.17 0.00 -0.03 0.00 0.00 54.58 55.37 1pkv n ASN 83 Cb 0.53 -1.35 -0.14 0.00 -0.61 0.00 0.00 39.78 38.21 1pkv n ASN 83 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1pkv s VAL 84 N -0.60 0.68 -0.16 2.41 -7.23 -0.85 -0.21 120.40 114.43 1pkv s VAL 84 Ca 0.64 -0.64 -0.06 0.00 -1.81 0.00 0.00 61.98 60.10 1pkv s VAL 84 Cb -0.69 -0.62 0.07 0.00 0.56 0.00 0.00 36.38 35.70 1pkv s VAL 84 CO 0.56 -0.00 0.35 -0.70 -0.31 0.00 0.00 175.10 174.99 1pkv s GLU 85 N -0.72 0.26 0.70 4.82 2.12 -1.01 -2.02 118.70 122.84 1pkv s GLU 85 Ca -0.01 0.85 -0.11 0.00 0.36 0.00 0.00 54.97 56.07 1pkv s GLU 85 Cb -0.06 0.11 0.01 0.00 0.26 0.00 0.00 34.13 34.45 1pkv s GLU 85 CO 0.00 -0.24 1.06 1.03 -0.54 0.00 0.00 175.26 176.57 1pkv s ARG 86 N 2.25 2.89 0.00 4.30 0.52 -1.26 -1.22 118.95 126.43 1pkv s ARG 86 Ca -0.02 1.00 0.28 0.00 -0.52 0.00 0.00 55.73 56.47 1pkv s ARG 86 Cb -0.11 -1.98 1.13 0.00 0.52 0.00 0.00 34.95 34.50 1pkv s ARG 86 CO -0.11 -1.14 1.79 0.00 0.02 0.00 0.00 175.30 175.86