#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpn n GLY 2 N 0.00 0.61 3.58 -5.12 0.00 -1.26 -5.10 105.19 97.90 2kpn n GLY 2 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2kpn n GLY 2 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kpn s ASN 3 N -1.12 5.76 -1.09 1.61 0.01 -1.26 -4.89 114.94 113.96 2kpn s ASN 3 Ca 0.06 0.91 -0.08 0.00 -0.71 0.00 0.00 52.86 53.03 2kpn s ASN 3 Cb 0.07 -2.53 -0.13 0.00 0.41 0.00 0.00 41.25 39.07 2kpn s ASN 3 CO -0.03 -1.88 3.14 0.61 -1.51 0.00 0.00 177.10 177.43 2kpn n GLY 4 N 5.46 3.92 3.74 0.66 0.00 -1.26 -4.91 105.19 112.80 2kpn n GLY 4 Ca 0.21 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 2kpn n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpn s GLU 5 N 1.56 3.04 0.61 1.61 0.41 -1.26 -5.12 118.70 119.55 2kpn s GLU 5 Ca 0.68 -0.43 0.01 0.00 -0.41 0.00 0.00 54.97 54.81 2kpn s GLU 5 Cb 0.23 -2.85 0.06 0.00 -1.78 0.00 0.00 34.13 29.80 2kpn s GLU 5 CO -0.05 0.68 0.85 -0.08 -0.49 0.00 0.00 175.26 176.17 2kpn s THR 6 N -1.05 2.47 -0.21 3.63 -1.32 -1.26 -5.07 115.64 112.84 2kpn s THR 6 Ca 0.18 -0.64 -0.20 0.00 -1.21 0.00 0.00 61.69 59.82 2kpn s THR 6 Cb -0.12 -2.83 -0.03 0.00 -1.51 0.00 0.00 72.50 68.01 2kpn s THR 6 CO 0.08 0.00 0.60 -0.44 -2.21 0.00 0.00 174.62 172.65 2kpn s SER 7 N -4.53 6.63 0.37 8.08 0.01 -1.26 -5.05 113.70 117.94 2kpn s SER 7 Ca 0.60 0.76 -0.26 0.00 1.31 0.00 0.00 55.95 58.37 2kpn s SER 7 Cb -0.09 -2.33 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 2kpn s SER 7 CO 0.40 -0.27 1.10 -0.62 0.41 0.00 0.00 173.24 174.26 2kpn s ASP 8 N 1.26 6.82 -0.14 2.44 2.15 -1.26 -5.02 116.67 122.91 2kpn s ASP 8 Ca 0.27 2.19 -0.23 0.00 0.43 0.00 0.00 52.55 55.22 2kpn s ASP 8 Cb -0.16 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.83 2kpn s ASP 8 CO 0.10 -0.46 0.69 -0.76 -0.17 0.00 0.00 175.17 174.57 2kpn s LEU 9 N -2.29 4.22 0.51 -1.34 1.43 -1.26 -5.05 118.68 114.90 2kpn s LEU 9 Ca 0.54 1.03 -0.23 0.00 -1.03 0.00 0.00 54.13 54.44 2kpn s LEU 9 Cb -0.27 -3.02 -0.06 0.00 0.03 0.00 0.00 46.19 42.86 2kpn s LEU 9 CO 0.34 -0.24 1.34 -1.83 0.23 0.00 0.00 176.35 176.20 2kpn s GLU 10 N 1.53 3.35 0.41 1.70 1.03 -1.26 -4.78 118.70 120.68 2kpn s GLU 10 Ca 0.34 2.20 -0.23 0.00 0.03 0.00 0.00 54.97 57.31 2kpn s GLU 10 Cb -0.17 -2.37 -0.09 0.00 -0.80 0.00 0.00 34.13 30.70 2kpn s GLU 10 CO 0.13 -1.01 1.01 -1.25 -1.33 0.00 0.00 175.26 172.81 2kpn s PRO 11 N -2.77 4.19 -0.61 -4.83 0.04 -1.26 -4.82 135.00 124.94 2kpn s PRO 11 Ca 0.68 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 2kpn s PRO 11 Cb -0.39 -2.44 0.04 0.00 0.04 0.00 0.00 34.50 31.74 2kpn s PRO 11 CO 0.48 -0.09 1.10 0.21 0.04 0.00 0.00 177.00 178.73 2kpn s LYS 12 N -2.67 3.34 -0.53 4.56 2.47 0.48 -4.90 119.74 122.49 2kpn s LYS 12 Ca 0.59 -0.15 -0.22 0.00 -1.56 0.00 0.00 55.97 54.63 2kpn s LYS 12 Cb -0.18 -4.09 0.05 0.00 -1.46 0.00 0.00 37.83 32.15 2kpn s LYS 12 CO 0.23 -1.72 0.79 -1.17 0.16 0.00 0.00 175.35 173.64 2kpn s LEU 13 N 4.66 4.49 -0.43 5.43 2.96 -1.26 -1.24 118.68 133.29 2kpn s LEU 13 Ca 0.35 -0.59 -0.23 0.00 -0.22 0.00 0.00 54.13 53.44 2kpn s LEU 13 Cb -0.10 -2.67 0.02 0.00 0.50 0.00 0.00 46.19 43.94 2kpn s LEU 13 CO 0.19 -1.06 0.79 -0.89 -1.32 0.00 0.00 176.35 174.06 2kpn s THR 14 N 3.34 4.66 -0.07 3.68 2.01 0.15 -4.98 115.64 124.43 2kpn s THR 14 Ca 0.24 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.77 2kpn s THR 14 Cb -0.15 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.08 2kpn s THR 14 CO 0.16 -0.66 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.68 2kpn s VAL 15 N 3.26 0.77 0.26 3.82 1.01 -1.26 -1.21 120.40 127.04 2kpn s VAL 15 Ca 0.30 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 2kpn s VAL 15 Cb -0.12 -0.78 -0.09 0.00 0.00 0.00 0.00 36.38 35.38 2kpn s VAL 15 CO 0.22 0.29 1.26 -2.16 0.00 0.00 0.00 175.10 174.71 2kpn s PRO 16 N 1.17 4.43 0.29 2.72 0.04 -1.26 -4.95 135.00 137.45 2kpn s PRO 16 Ca -0.06 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.04 2kpn s PRO 16 Cb -0.14 -3.15 0.45 0.00 0.04 0.00 0.00 34.50 31.70 2kpn s PRO 16 CO -0.01 -0.13 1.81 -0.24 0.04 0.00 0.00 177.00 178.47 2kpn h VAL 17 N 3.37 1.22 -2.78 -0.36 3.04 -1.95 -3.39 116.25 115.40 2kpn h VAL 17 Ca -0.47 -0.90 0.03 0.00 -1.01 0.00 0.00 66.70 64.36 2kpn h VAL 17 Cb 1.22 0.89 -0.12 0.00 -2.01 0.00 0.00 31.29 31.27 2kpn h VAL 17 CO 0.71 0.31 0.30 -0.83 -1.01 0.00 0.00 177.57 177.05 2kpn s GLY 18 N -3.77 -0.50 0.08 3.17 0.00 -1.26 -2.10 107.32 102.94 2kpn s GLY 18 Ca -0.09 0.52 -0.14 0.00 0.00 0.00 0.00 44.72 45.01 2kpn s GLY 18 CO 0.79 0.17 0.33 0.00 0.00 0.00 0.00 173.10 174.39 2kpn s ALA 19 N -3.58 -0.73 -0.06 3.20 0.00 0.33 -4.91 121.76 116.02 2kpn s ALA 19 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2kpn s ALA 19 Cb -0.02 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.62 2kpn s ALA 19 CO -0.09 -0.52 -0.05 0.99 0.00 0.00 0.00 175.76 176.09 2kpn s THR 20 N -3.28 0.63 0.36 0.00 2.01 -1.26 -0.26 115.64 113.84 2kpn s THR 20 Ca -0.00 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.90 2kpn s THR 20 Cb 0.01 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 2kpn s THR 20 CO -0.08 0.26 0.11 0.27 -0.69 0.00 0.00 174.62 174.49 2kpn s ILE 21 N 1.21 0.75 0.41 1.82 -4.36 -0.23 -4.97 121.20 115.84 2kpn s ILE 21 Ca -0.06 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.39 2kpn s ILE 21 Cb -0.14 -2.52 -0.07 0.00 1.25 0.00 0.00 42.46 40.98 2kpn s ILE 21 CO -0.02 0.00 0.02 -1.00 0.24 0.00 0.00 174.94 174.18 2kpn s HIS 22 N -3.32 2.34 -0.01 1.37 3.76 -1.26 -0.74 115.29 117.42 2kpn s HIS 22 Ca 0.30 -0.76 -0.30 0.00 -0.15 0.00 0.00 55.06 54.15 2kpn s HIS 22 Cb 0.05 -1.68 -0.07 0.00 1.11 0.00 0.00 32.58 31.99 2kpn s HIS 22 CO 0.15 0.34 1.81 0.08 -0.85 0.00 0.00 174.74 176.27 2kpn s VAL 23 N -2.82 3.31 0.00 -0.90 1.01 0.06 -1.55 120.40 119.51 2kpn s VAL 23 Ca 0.31 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.67 2kpn s VAL 23 Cb 0.08 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2kpn s VAL 23 CO 0.15 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2kpn n GLY 24 N 4.33 0.60 3.83 4.51 0.00 0.37 -4.75 105.19 114.08 2kpn n GLY 24 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2kpn n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kpn s ASP 25 N -2.92 2.36 -0.05 1.61 -1.08 -0.60 -5.10 116.67 110.90 2kpn s ASP 25 Ca 0.00 0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.36 2kpn s ASP 25 Cb 0.00 -0.40 0.02 0.00 -1.46 0.00 0.00 42.92 41.09 2kpn s ASP 25 CO 0.00 -3.20 -0.03 -0.94 0.52 0.00 0.00 175.17 171.52 2kpn s SER 26 N -4.63 1.14 -0.04 -0.34 1.04 -1.26 -4.91 113.70 104.69 2kpn s SER 26 Ca 0.74 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 57.10 2kpn s SER 26 Cb -0.05 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.64 2kpn s SER 26 CO 0.54 -0.11 -0.15 0.12 0.98 0.00 0.00 173.24 174.63 2kpn s PHE 27 N 1.29 1.54 -0.32 5.02 5.36 -1.26 -5.12 117.98 124.50 2kpn s PHE 27 Ca -0.05 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 2kpn s PHE 27 Cb -0.14 -1.06 0.09 0.00 -0.34 0.00 0.00 43.02 41.58 2kpn s PHE 27 CO -0.02 -0.18 0.05 0.08 -1.46 0.00 0.00 175.22 173.69 2kpn s VAL 28 N 0.18 1.76 0.33 3.12 1.01 -1.26 -5.01 120.40 120.53 2kpn s VAL 28 Ca -0.06 -1.90 0.01 0.00 0.00 0.00 0.00 61.98 60.03 2kpn s VAL 28 Cb -0.12 -2.26 0.24 0.00 0.00 0.00 0.00 36.38 34.24 2kpn s VAL 28 CO 0.02 -0.54 1.96 1.55 0.00 0.00 0.00 175.10 178.09 2kpn h PRO 29 N 7.80 0.85 0.00 2.72 0.13 -2.00 -2.34 132.00 139.16 2kpn h PRO 29 Ca -0.09 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kpn h PRO 29 Cb 1.03 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2kpn h PRO 29 CO 0.49 0.61 0.00 -1.33 -0.23 0.00 0.00 178.00 177.54 2kpn n MET 30 N -4.39 0.77 -0.11 0.86 2.81 -1.26 -2.09 117.12 113.71 2kpn n MET 30 Ca 0.06 0.01 -0.25 0.00 -1.81 0.00 0.00 57.70 55.71 2kpn n MET 30 Cb 0.09 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 30.99 2kpn n MET 30 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kpn n ALA 31 N -1.09 1.04 -0.15 3.04 0.00 -0.90 -4.54 120.51 117.92 2kpn n ALA 31 Ca 0.20 -0.83 -0.07 0.00 0.00 0.00 0.00 53.44 52.74 2kpn n ALA 31 Cb 0.14 -0.23 0.09 0.00 0.00 0.00 0.00 19.45 19.46 2kpn n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kpn h GLU 32 N -0.80 0.91 -6.47 0.00 4.39 -1.50 -3.44 114.58 107.67 2kpn h GLU 32 Ca -0.53 -0.28 -0.53 0.00 0.34 0.00 0.00 59.36 58.35 2kpn h GLU 32 Cb 1.57 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.10 2kpn h GLU 32 CO -0.27 0.92 0.07 0.08 -1.16 0.00 0.00 179.01 178.66 2kpn s VAL 33 N -4.94 4.60 0.02 3.13 1.01 -0.89 -4.69 120.40 118.64 2kpn s VAL 33 Ca -0.10 1.28 -0.03 0.00 0.00 0.00 0.00 61.98 63.12 2kpn s VAL 33 Cb 0.14 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2kpn s VAL 33 CO 0.83 0.32 0.04 -0.22 0.00 0.00 0.00 175.10 176.07 2kpn s LEU 34 N -1.70 2.00 -0.04 3.92 2.96 -0.35 -4.84 118.68 120.63 2kpn s LEU 34 Ca 0.39 -0.48 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2kpn s LEU 34 Cb -0.18 0.36 0.03 0.00 0.50 0.00 0.00 46.19 46.90 2kpn s LEU 34 CO 0.21 -0.39 0.05 0.00 -1.32 0.00 0.00 176.35 174.91 2kpn s ALA 35 N -1.90 0.23 -0.11 5.97 0.00 -1.26 0.33 121.76 125.02 2kpn s ALA 35 Ca -0.11 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.04 2kpn s ALA 35 Cb -0.06 -0.57 0.02 0.00 0.00 0.00 0.00 23.12 22.51 2kpn s ALA 35 CO -0.02 -0.43 -0.09 0.42 0.00 0.00 0.00 175.76 175.65 2kpn s ILE 36 N 1.99 1.09 0.06 0.00 -1.09 -0.37 -0.97 121.20 121.91 2kpn s ILE 36 Ca 0.03 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.12 2kpn s ILE 36 Cb -0.12 -1.09 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 2kpn s ILE 36 CO -0.03 0.38 0.14 -0.62 -1.23 0.00 0.00 174.94 173.57 2kpn s ASP 37 N 1.63 5.92 0.00 3.58 2.15 0.57 -0.39 116.67 130.14 2kpn s ASP 37 Ca 0.04 0.14 -0.25 0.00 0.43 0.00 0.00 52.55 52.91 2kpn s ASP 37 Cb -0.13 -1.72 -0.16 0.00 -0.30 0.00 0.00 42.92 40.62 2kpn s ASP 37 CO -0.08 0.19 1.17 0.50 -0.17 0.00 0.00 175.17 176.78 2kpn h LYS 38 N 3.34 -0.45 0.00 4.34 3.64 -1.86 -2.88 116.57 122.70 2kpn h LYS 38 Ca -0.46 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.88 2kpn h LYS 38 Cb 1.17 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2kpn h LYS 38 CO 0.70 -0.13 -0.43 0.93 -2.27 0.00 0.00 179.45 178.25 2kpn h GLU 39 N -0.84 0.00 -0.07 1.90 3.07 -1.97 -3.39 114.58 113.29 2kpn h GLU 39 Ca -0.05 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.66 2kpn h GLU 39 Cb 0.53 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.43 2kpn h GLU 39 CO 0.08 0.80 -0.62 0.22 -1.40 0.00 0.00 179.01 178.09 2kpn h ASP 40 N -1.00 0.27 0.00 1.42 3.58 -1.97 -3.49 116.42 115.23 2kpn h ASP 40 Ca -0.11 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.18 2kpn h ASP 40 Cb 0.93 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2kpn h ASP 40 CO -0.07 0.82 0.00 0.61 -2.88 0.00 0.00 179.24 177.73 2kpn n GLY 41 N 0.29 0.37 3.67 -0.78 0.00 -1.09 -4.98 105.19 102.68 2kpn n GLY 41 Ca -0.02 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2kpn n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kpn s ASP 42 N -4.00 6.83 -0.14 1.61 -1.08 -1.26 -0.31 116.67 118.32 2kpn s ASP 42 Ca 0.00 2.02 0.18 0.00 -0.52 0.00 0.00 52.55 54.23 2kpn s ASP 42 Cb 0.00 -2.55 0.33 0.00 -1.46 0.00 0.00 42.92 39.24 2kpn s ASP 42 CO 0.00 -0.78 1.19 0.18 0.52 0.00 0.00 175.17 176.28 2kpn n LEU 43 N 6.15 2.58 -0.28 -1.34 4.77 -0.15 -4.75 117.00 123.99 2kpn n LEU 43 Ca 0.14 -3.15 -0.04 0.00 -0.03 0.00 0.00 56.01 52.93 2kpn n LEU 43 Cb 0.44 -0.45 0.12 0.00 -2.33 0.00 0.00 43.42 41.19 2kpn n LEU 43 CO 0.59 0.77 1.12 0.74 -1.33 0.00 0.00 177.39 179.27 2kpn h THR 44 N 0.30 1.25 0.00 -5.08 2.02 -1.82 -0.78 112.91 108.79 2kpn h THR 44 Ca 0.00 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.50 2kpn h THR 44 Cb 1.06 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 2kpn h THR 44 CO 0.03 0.29 0.00 -1.20 0.37 0.00 0.00 175.52 175.02 2kpn n SER 45 N -4.32 0.00 -0.01 4.18 7.64 -1.26 -1.93 113.62 117.92 2kpn n SER 45 Ca 0.08 0.45 0.13 0.00 1.01 0.00 0.00 58.87 60.53 2kpn n SER 45 Cb 0.13 -0.48 0.37 0.00 -1.01 0.00 0.00 64.21 63.23 2kpn n SER 45 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kpn n LYS 46 N -1.48 0.05 -2.37 1.43 4.76 -0.30 -4.86 118.16 115.40 2kpn n LYS 46 Ca 0.04 -0.02 -0.43 0.00 -2.87 0.00 0.00 58.31 55.03 2kpn n LYS 46 Cb 0.18 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.85 2kpn n LYS 46 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kpn s ILE 47 N -2.97 4.08 -0.26 -0.18 1.01 -0.81 -4.38 121.20 117.68 2kpn s ILE 47 Ca 0.13 1.23 -0.20 0.00 0.00 0.00 0.00 60.65 61.81 2kpn s ILE 47 Cb 0.18 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 2kpn s ILE 47 CO 0.64 -0.41 0.62 -0.75 0.00 0.00 0.00 174.94 175.04 2kpn s LYS 48 N 4.17 4.07 -0.10 2.79 2.20 0.13 -4.89 119.74 128.10 2kpn s LYS 48 Ca 0.58 0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 56.57 2kpn s LYS 48 Cb -0.19 -3.67 -0.05 0.00 -1.51 0.00 0.00 37.83 32.42 2kpn s LYS 48 CO 0.23 -0.44 0.25 0.08 -0.36 0.00 0.00 175.35 175.11 2kpn s VAL 49 N 2.52 5.32 -0.03 4.02 1.01 -1.26 -2.26 120.40 129.71 2kpn s VAL 49 Ca 0.26 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.72 2kpn s VAL 49 Cb -0.15 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2kpn s VAL 49 CO 0.09 0.56 -0.09 -0.62 0.00 0.00 0.00 175.10 175.03 2kpn s ASP 50 N -0.69 1.28 0.00 3.32 -1.08 -0.56 -5.03 116.67 113.91 2kpn s ASP 50 Ca 0.17 -0.20 0.00 0.00 -0.52 0.00 0.00 52.55 52.00 2kpn s ASP 50 Cb -0.14 -0.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.93 2kpn s ASP 50 CO 0.06 0.06 0.00 0.61 0.52 0.00 0.00 175.17 176.42 2kpn n GLY 51 N 3.41 1.15 3.64 2.66 0.00 -1.26 -1.46 105.19 113.33 2kpn n GLY 51 Ca -0.19 -2.15 -0.04 0.00 0.00 0.00 0.00 46.02 43.63 2kpn n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kpn s GLU 52 N -1.11 0.49 -0.15 1.61 2.12 -1.26 -5.05 118.70 115.35 2kpn s GLU 52 Ca 0.00 0.83 -0.04 0.00 0.36 0.00 0.00 54.97 56.12 2kpn s GLU 52 Cb 0.00 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 2kpn s GLU 52 CO 0.00 -0.10 -0.01 0.08 -0.54 0.00 0.00 175.26 174.69 2kpn s VAL 53 N 1.35 4.15 0.17 3.70 1.01 -1.26 -4.97 120.40 124.56 2kpn s VAL 53 Ca -0.09 -0.27 -0.22 0.00 0.00 0.00 0.00 61.98 61.41 2kpn s VAL 53 Cb -0.04 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 2kpn s VAL 53 CO -0.16 0.50 0.72 -1.81 0.00 0.00 0.00 175.10 174.35 2kpn s ASP 54 N 0.20 7.20 0.00 3.32 1.11 -1.26 -4.98 116.67 122.26 2kpn s ASP 54 Ca -0.00 1.48 0.10 0.00 0.18 0.00 0.00 52.55 54.31 2kpn s ASP 54 Cb -0.13 -2.44 0.13 0.00 1.07 0.00 0.00 42.92 41.55 2kpn s ASP 54 CO 0.02 0.15 0.93 0.35 1.18 0.00 0.00 175.17 177.80 2kpn n THR 55 N 1.26 0.24 -0.07 -1.27 -2.24 -1.26 -4.56 114.28 106.37 2kpn n THR 55 Ca -0.05 -0.62 -0.06 0.00 -2.27 0.00 0.00 64.05 61.05 2kpn n THR 55 Cb 0.50 1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 69.65 2kpn n THR 55 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2kpn n THR 56 N 0.56 0.98 -5.22 4.28 -2.24 -1.26 -0.48 114.28 110.89 2kpn n THR 56 Ca 0.07 -0.66 -0.32 0.00 -2.27 0.00 0.00 64.05 60.88 2kpn n THR 56 Cb 0.30 -0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 67.89 2kpn n THR 56 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kpn s LYS 57 N -2.51 2.76 0.38 -0.78 2.20 -1.26 -4.95 119.74 115.59 2kpn s LYS 57 Ca -0.08 -0.88 -0.26 0.00 -0.36 0.00 0.00 55.97 54.39 2kpn s LYS 57 Cb 0.06 -2.23 -0.09 0.00 -1.51 0.00 0.00 37.83 34.06 2kpn s LYS 57 CO 0.68 0.31 1.20 0.00 -0.36 0.00 0.00 175.35 177.18 2kpn s ALA 58 N 0.02 3.23 0.00 3.13 0.00 -1.26 -4.79 121.76 122.10 2kpn s ALA 58 Ca -0.09 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2kpn s ALA 58 Cb -0.15 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2kpn s ALA 58 CO 0.06 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.66 2kpn n GLY 59 N 0.71 3.15 3.64 0.00 0.00 0.17 -4.96 105.19 107.90 2kpn n GLY 59 Ca 0.03 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 2kpn n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpn s THR 60 N -2.00 5.31 0.12 2.61 2.01 -1.26 -0.64 115.64 121.79 2kpn s THR 60 Ca 0.00 0.26 0.10 0.00 0.31 0.00 0.00 61.69 62.36 2kpn s THR 60 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 2kpn s THR 60 CO 0.00 0.29 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.67 2kpn s TYR 61 N 1.36 2.09 -0.17 4.92 2.02 0.22 -4.99 117.35 122.80 2kpn s TYR 61 Ca 0.09 -0.40 -0.01 0.00 -0.37 0.00 0.00 57.07 56.38 2kpn s TYR 61 Cb -0.14 -1.13 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2kpn s TYR 61 CO 0.07 0.29 -0.10 0.08 -1.57 0.00 0.00 175.55 174.32 2kpn s VAL 62 N -1.16 3.10 -0.08 0.71 1.01 -1.26 -0.39 120.40 122.33 2kpn s VAL 62 Ca 0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 2kpn s VAL 62 Cb -0.10 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2kpn s VAL 62 CO 0.05 0.49 0.10 -0.76 0.00 0.00 0.00 175.10 174.99 2kpn s LEU 63 N 0.84 4.11 -0.06 3.92 1.43 0.23 -4.82 118.68 124.33 2kpn s LEU 63 Ca -0.03 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 2kpn s LEU 63 Cb -0.15 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 2kpn s LEU 63 CO 0.01 0.36 -0.11 -0.89 0.23 0.00 0.00 176.35 175.95 2kpn s THR 64 N -1.06 3.38 -0.08 5.49 2.01 -0.53 -0.64 115.64 124.20 2kpn s THR 64 Ca 0.17 -0.60 -0.00 0.00 0.31 0.00 0.00 61.69 61.57 2kpn s THR 64 Cb -0.12 -2.36 0.02 0.00 0.01 0.00 0.00 72.50 70.06 2kpn s THR 64 CO 0.07 0.59 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.24 2kpn s TYR 65 N -0.74 1.05 -0.11 4.92 2.02 0.19 -1.50 117.35 123.18 2kpn s TYR 65 Ca 0.11 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.41 2kpn s TYR 65 Cb -0.11 -0.96 0.02 0.00 -0.40 0.00 0.00 41.96 40.51 2kpn s TYR 65 CO 0.01 -0.37 -0.15 0.99 -1.57 0.00 0.00 175.55 174.46 2kpn s THR 66 N 1.60 1.45 0.15 -0.71 2.01 -0.96 -0.93 115.64 118.24 2kpn s THR 66 Ca 0.01 -0.61 0.10 0.00 0.31 0.00 0.00 61.69 61.50 2kpn s THR 66 Cb -0.13 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 2kpn s THR 66 CO -0.05 0.43 -0.24 0.54 -0.69 0.00 0.00 174.62 174.62 2kpn s VAL 67 N 1.01 2.14 -0.04 3.82 0.11 0.08 -0.70 120.40 126.83 2kpn s VAL 67 Ca -0.06 -1.84 0.02 0.00 -2.93 0.00 0.00 61.98 57.17 2kpn s VAL 67 Cb -0.15 -1.94 0.01 0.00 -1.53 0.00 0.00 36.38 32.77 2kpn s VAL 67 CO -0.02 -0.06 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.73 2kpn s THR 68 N -1.42 0.68 0.53 5.04 2.01 -1.26 -0.63 115.64 120.59 2kpn s THR 68 Ca 0.15 -0.25 -0.19 0.00 0.31 0.00 0.00 61.69 61.72 2kpn s THR 68 Cb -0.09 -0.65 -0.07 0.00 0.01 0.00 0.00 72.50 71.70 2kpn s THR 68 CO 0.07 0.24 1.07 -0.62 -0.69 0.00 0.00 174.62 174.69 2kpn s ASP 69 N 0.61 6.05 0.48 3.53 -1.08 0.60 -4.92 116.67 121.94 2kpn s ASP 69 Ca -0.09 1.97 0.13 0.00 -0.52 0.00 0.00 52.55 54.04 2kpn s ASP 69 Cb -0.12 -2.56 1.11 0.00 -1.46 0.00 0.00 42.92 39.89 2kpn s ASP 69 CO 0.01 -0.99 2.10 -1.28 0.52 0.00 0.00 175.17 175.53 2kpn h SER 70 N 1.21 0.19 -0.04 -0.34 0.87 -1.99 -0.73 113.55 112.73 2kpn h SER 70 Ca -0.49 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2kpn h SER 70 Cb 1.23 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2kpn h SER 70 CO 0.58 0.14 0.00 0.29 -0.53 0.00 0.00 176.83 177.31 2kpn n LYS 71 N -4.51 1.46 0.00 2.24 4.01 -1.26 -4.92 118.16 115.19 2kpn n LYS 71 Ca 0.00 -0.67 0.00 0.00 -0.51 0.00 0.00 58.31 57.13 2kpn n LYS 71 Cb 0.12 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.18 2kpn n LYS 71 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kpn n GLY 72 N 1.09 1.62 3.29 0.72 0.00 -0.28 -5.02 105.19 106.63 2kpn n GLY 72 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2kpn n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kpn s HIS 73 N -2.00 3.20 -0.20 1.61 3.76 -1.24 -4.90 115.29 115.52 2kpn s HIS 73 Ca 0.00 -1.27 -0.11 0.00 -0.15 0.00 0.00 55.06 53.54 2kpn s HIS 73 Cb 0.00 -2.25 -0.05 0.00 1.11 0.00 0.00 32.58 31.39 2kpn s HIS 73 CO 0.00 -0.67 0.16 -2.00 -0.85 0.00 0.00 174.74 171.37 2kpn s GLU 74 N 1.43 4.18 -0.03 1.40 2.12 -1.26 -0.29 118.70 126.25 2kpn s GLU 74 Ca -0.00 -0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.18 2kpn s GLU 74 Cb -0.18 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.76 2kpn s GLU 74 CO 0.02 0.25 -0.15 0.08 -0.54 0.00 0.00 175.26 174.91 2kpn s VAL 75 N 0.51 1.27 0.02 3.70 1.01 0.20 -5.00 120.40 122.11 2kpn s VAL 75 Ca 0.09 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.45 2kpn s VAL 75 Cb -0.12 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.15 2kpn s VAL 75 CO -0.00 0.37 -0.08 0.28 0.00 0.00 0.00 175.10 175.67 2kpn s THR 76 N 0.01 0.57 0.13 3.92 -1.32 -1.26 -0.74 115.64 116.94 2kpn s THR 76 Ca -0.02 -0.69 -0.11 0.00 -1.21 0.00 0.00 61.69 59.66 2kpn s THR 76 Cb -0.10 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.34 2kpn s THR 76 CO 0.01 -0.11 0.28 0.00 -2.21 0.00 0.00 174.62 172.60 2kpn s ALA 77 N -0.75 -0.31 0.18 11.08 0.00 -0.11 -5.01 121.76 126.83 2kpn s ALA 77 Ca -0.03 -0.59 0.09 0.00 0.00 0.00 0.00 51.96 51.43 2kpn s ALA 77 Cb -0.06 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 2kpn s ALA 77 CO 0.00 -0.60 -0.19 0.15 0.00 0.00 0.00 175.76 175.12 2kpn s LYS 78 N -3.89 1.35 -0.08 0.00 1.02 -1.26 -0.64 119.74 116.25 2kpn s LYS 78 Ca 0.09 -1.46 0.01 0.00 0.02 0.00 0.00 55.97 54.64 2kpn s LYS 78 Cb 0.03 -1.46 0.02 0.00 -0.52 0.00 0.00 37.83 35.90 2kpn s LYS 78 CO -0.07 0.30 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.43 2kpn s GLN 79 N -2.82 1.48 -0.43 1.68 0.74 0.18 -4.68 119.66 115.80 2kpn s GLN 79 Ca 0.18 -0.30 -0.18 0.00 0.05 0.00 0.00 55.36 55.10 2kpn s GLN 79 Cb -0.06 -1.37 0.03 0.00 1.10 0.00 0.00 33.01 32.71 2kpn s GLN 79 CO 0.08 -0.10 0.51 0.99 -0.55 0.00 0.00 175.29 176.23 2kpn s THR 80 N 1.08 4.99 -0.23 -0.34 2.01 -0.89 -0.60 115.64 121.66 2kpn s THR 80 Ca -0.07 -0.24 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 2kpn s THR 80 Cb -0.14 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.22 2kpn s THR 80 CO -0.01 -0.51 0.05 -0.69 -0.69 0.00 0.00 174.62 172.77 2kpn s VAL 81 N 2.38 4.27 -0.24 3.82 1.01 0.47 -0.51 120.40 131.59 2kpn s VAL 81 Ca 0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 2kpn s VAL 81 Cb -0.16 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2kpn s VAL 81 CO 0.15 0.37 0.09 -0.89 0.00 0.00 0.00 175.10 174.81 2kpn s THR 82 N 1.40 4.55 -0.12 3.92 2.01 0.64 -0.61 115.64 127.42 2kpn s THR 82 Ca 0.05 -0.10 -0.10 0.00 0.31 0.00 0.00 61.69 61.85 2kpn s THR 82 Cb -0.15 -3.12 -0.05 0.00 0.01 0.00 0.00 72.50 69.20 2kpn s THR 82 CO 0.03 0.35 0.21 -0.69 -0.69 0.00 0.00 174.62 173.83 2kpn s VAL 83 N 1.41 5.37 0.12 3.82 1.01 0.19 -1.06 120.40 131.25 2kpn s VAL 83 Ca 0.06 0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2kpn s VAL 83 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2kpn s VAL 83 CO 0.04 0.54 -0.12 -0.54 0.00 0.00 0.00 175.10 175.03 2kpn s LYS 84 N -0.50 0.95 0.35 2.72 1.02 0.08 -0.65 119.74 123.70 2kpn s LYS 84 Ca 0.16 -1.25 -0.23 0.00 0.02 0.00 0.00 55.97 54.67 2kpn s LYS 84 Cb -0.13 -0.69 -0.10 0.00 -0.52 0.00 0.00 37.83 36.39 2kpn s LYS 84 CO 0.05 0.11 0.91 0.08 -0.92 0.00 0.00 175.35 175.58 2kpn s VAL 85 N -2.50 4.33 0.90 3.17 1.01 -1.26 -0.76 120.40 125.28 2kpn s VAL 85 Ca 0.09 1.62 -0.11 0.00 0.00 0.00 0.00 61.98 63.58 2kpn s VAL 85 Cb -0.03 -3.85 0.19 0.00 0.00 0.00 0.00 36.38 32.70 2kpn s VAL 85 CO 0.01 -0.01 1.23 0.00 0.00 0.00 0.00 175.10 176.33 2kpn s ARG 86 N -2.45 0.81 -0.56 2.72 1.70 -1.26 -4.84 118.95 115.07 2kpn s ARG 86 Ca 0.53 -0.76 -0.27 0.00 -0.47 0.00 0.00 55.73 54.77 2kpn s ARG 86 Cb -0.15 -2.00 -0.02 0.00 -0.57 0.00 0.00 34.95 32.21 2kpn s ARG 86 CO 0.20 -2.20 1.85 -1.21 -1.08 0.00 0.00 175.30 172.85 2kpn s GLU 87 N -5.68 2.76 0.12 3.89 2.02 -1.26 -4.98 118.70 115.57 2kpn s GLU 87 Ca 0.73 0.76 0.02 0.00 0.02 0.00 0.00 54.97 56.51 2kpn s GLU 87 Cb -0.03 -4.35 -0.04 0.00 0.10 0.00 0.00 34.13 29.81 2kpn s GLU 87 CO 0.51 -2.57 0.24 -1.21 0.02 0.00 0.00 175.26 172.25 2kpn s GLU 88 N 6.77 3.36 0.39 1.61 2.02 -1.26 -5.13 118.70 126.47 2kpn s GLU 88 Ca 0.69 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2kpn s GLU 88 Cb -0.14 -2.95 0.08 0.00 0.10 0.00 0.00 34.13 31.22 2kpn s GLU 88 CO 0.23 0.55 0.53 1.33 0.02 0.00 0.00 175.26 177.92 2kpn n VAL 89 N -0.22 0.00 -1.73 2.63 0.24 -1.26 -5.02 118.33 112.96 2kpn n VAL 89 Ca -0.07 -0.87 -0.42 0.00 -2.04 0.00 0.00 64.34 60.94 2kpn n VAL 89 Cb 0.53 -1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 31.79 2kpn n VAL 89 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2kpn s LYS 90 N -3.81 4.14 -1.43 7.34 1.02 -1.26 -4.90 119.74 120.84 2kpn s LYS 90 Ca 0.36 2.57 -0.10 0.00 0.02 0.00 0.00 55.97 58.82 2kpn s LYS 90 Cb -0.02 -3.59 0.05 0.00 -0.52 0.00 0.00 37.83 33.75 2kpn s LYS 90 CO 0.23 -0.83 2.38 -1.71 -0.92 0.00 0.00 175.35 174.51 2kpn n ASN 91 N 5.66 6.44 0.02 2.83 5.15 -1.26 -4.61 115.26 129.50 2kpn n ASN 91 Ca 0.18 -2.90 -0.05 0.00 -0.60 0.00 0.00 54.58 51.21 2kpn n ASN 91 Cb 0.38 -1.52 -0.11 0.00 -0.53 0.00 0.00 39.78 38.01 2kpn n ASN 91 CO 0.00 0.00 0.00 -2.24 1.40 0.00 0.00 177.26 176.42 2kpn h ASP 92 N 5.35 0.00 -0.95 1.20 2.03 -2.06 -3.47 116.42 118.52 2kpn h ASP 92 Ca 0.64 0.00 -0.70 0.00 -0.73 0.00 0.00 57.03 56.25 2kpn h ASP 92 Cb 0.46 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.94 2kpn h ASP 92 CO 1.71 0.83 1.34 2.29 -1.03 0.00 0.00 179.24 184.39 2kpn n LYS 93 N -3.07 0.90 -3.10 4.15 2.85 -1.26 -4.90 118.16 113.73 2kpn n LYS 93 Ca -0.10 0.26 -0.35 0.00 -1.05 0.00 0.00 58.31 57.07 2kpn n LYS 93 Cb 0.94 -2.25 -0.06 0.00 -0.65 0.00 0.00 35.03 33.01 2kpn n LYS 93 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kpn s PRO 94 N 5.88 4.18 -0.36 -1.58 0.04 -1.26 -4.69 135.00 137.21 2kpn s PRO 94 Ca 1.10 0.82 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 2kpn s PRO 94 Cb -0.99 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 30.83 2kpn s PRO 94 CO 0.54 0.31 0.24 -0.89 0.04 0.00 0.00 177.00 177.24 2kpn n ILE 95 N 0.34-11.59 -3.64 0.56 5.41 -1.26 -5.08 119.36 104.11 2kpn n ILE 95 Ca -0.00 1.46 -0.03 0.00 1.00 0.00 0.00 62.75 65.18 2kpn n ILE 95 Cb 0.52 -7.04 -0.05 0.00 -0.71 0.00 0.00 39.64 32.36 2kpn n ILE 95 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2kpn s LEU 96 N -2.02 -0.08 0.00 1.39 2.96 -1.26 -5.30 118.68 114.37 2kpn s LEU 96 Ca 0.10 0.12 0.11 0.00 -0.22 0.00 0.00 54.13 54.24 2kpn s LEU 96 Cb -0.03 1.18 0.68 0.00 0.50 0.00 0.00 46.19 48.52 2kpn s LEU 96 CO 0.77 -0.06 1.11 1.21 -1.32 0.00 0.00 176.35 178.07