#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 2.07 3.87 3.03 0.00 -1.26 -4.91 105.19 107.99 2kpn n GLY 2 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 6.63 0.00 1.61 0.02 -1.26 -5.03 114.94 116.92 2kpn s ASN 3 Ca 0.00 0.90 0.00 0.00 -1.02 0.00 0.00 52.86 52.74 2kpn s ASN 3 Cb 0.00 -2.22 0.00 0.00 0.02 0.00 0.00 41.25 39.05 2kpn s ASN 3 CO 0.00 -0.03 0.00 0.61 0.02 0.00 0.00 177.10 177.70 2kpn n GLY 4 N 0.03 1.49 4.06 0.66 0.00 -1.26 -5.01 105.19 105.16 2kpn n GLY 4 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2kpn n GLY 4 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kpn n GLU 5 N 0.00 0.00 -2.09 1.61 2.13 -1.26 -4.92 120.64 116.10 2kpn n GLU 5 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 2kpn n GLU 5 Cb 0.00 -2.66 -0.03 0.00 0.27 0.00 0.00 31.44 29.03 2kpn n GLU 5 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2kpn s THR 6 N -1.80 3.49 0.13 6.31 2.01 -1.26 -4.96 115.64 119.56 2kpn s THR 6 Ca 0.00 0.41 0.04 0.00 0.31 0.00 0.00 61.69 62.45 2kpn s THR 6 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2kpn s THR 6 CO 0.00 -0.76 -0.10 -0.44 -0.69 0.00 0.00 174.62 172.63 2kpn s SER 7 N 6.64 1.65 -0.19 3.53 0.01 -1.26 -5.13 113.70 118.94 2kpn s SER 7 Ca 0.69 -0.94 -0.25 0.00 1.31 0.00 0.00 55.95 56.77 2kpn s SER 7 Cb -0.16 0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.06 2kpn s SER 7 CO 0.27 -0.31 0.82 -0.62 0.41 0.00 0.00 173.24 173.81 2kpn s ASP 8 N -2.88 6.90 -0.10 2.44 2.15 -1.26 -5.03 116.67 118.89 2kpn s ASP 8 Ca 0.12 1.11 -0.11 0.00 0.43 0.00 0.00 52.55 54.10 2kpn s ASP 8 Cb 0.01 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 2kpn s ASP 8 CO 0.00 -0.43 0.26 -0.76 -0.17 0.00 0.00 175.17 174.08 2kpn s LEU 9 N 2.35 4.37 0.34 -1.34 1.43 -1.26 -5.07 118.68 119.50 2kpn s LEU 9 Ca 0.37 0.62 -0.28 0.00 -1.03 0.00 0.00 54.13 53.80 2kpn s LEU 9 Cb -0.16 -2.31 -0.12 0.00 0.03 0.00 0.00 46.19 43.63 2kpn s LEU 9 CO 0.11 0.29 1.36 -1.84 0.23 0.00 0.00 176.35 176.49 2kpn n GLU 10 N 2.43 2.28 -1.53 1.70 0.00 -1.26 -4.74 120.64 119.52 2kpn n GLU 10 Ca -0.16 0.80 -0.32 0.00 0.00 0.00 0.00 57.16 57.48 2kpn n GLU 10 Cb 0.53 -2.43 0.07 0.00 0.00 0.00 0.00 31.44 29.61 2kpn n GLU 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2kpn s PRO 11 N -1.82 2.52 -0.55 3.44 0.04 -1.26 -4.90 135.00 132.46 2kpn s PRO 11 Ca 0.56 1.35 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 2kpn s PRO 11 Cb -0.55 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.12 2kpn s PRO 11 CO 0.62 -1.47 0.89 0.21 0.04 0.00 0.00 177.00 177.29 2kpn s LYS 12 N -4.37 3.28 -0.46 4.56 2.47 0.77 -4.94 119.74 121.05 2kpn s LYS 12 Ca 0.65 -0.42 -0.18 0.00 -1.56 0.00 0.00 55.97 54.46 2kpn s LYS 12 Cb -0.20 -4.08 0.04 0.00 -1.46 0.00 0.00 37.83 32.13 2kpn s LYS 12 CO 0.47 -1.47 0.54 -1.17 0.16 0.00 0.00 175.35 173.88 2kpn s LEU 13 N 3.75 4.88 -0.43 5.43 2.96 -1.26 -1.68 118.68 132.33 2kpn s LEU 13 Ca 0.27 -0.73 -0.24 0.00 -0.22 0.00 0.00 54.13 53.20 2kpn s LEU 13 Cb -0.14 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.11 2kpn s LEU 13 CO 0.17 -0.73 0.86 -0.89 -1.32 0.00 0.00 176.35 174.44 2kpn s THR 14 N 2.41 4.58 -0.03 3.68 2.01 0.92 -4.99 115.64 124.21 2kpn s THR 14 Ca 0.15 0.73 0.01 0.00 0.31 0.00 0.00 61.69 62.89 2kpn s THR 14 Cb -0.18 -4.35 0.02 0.00 0.01 0.00 0.00 72.50 68.00 2kpn s THR 14 CO 0.14 -0.70 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.66 2kpn s VAL 15 N 3.47 0.34 0.34 3.82 1.01 -1.26 -2.70 120.40 125.42 2kpn s VAL 15 Ca 0.34 -0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 2kpn s VAL 15 Cb -0.11 -0.39 -0.09 0.00 0.00 0.00 0.00 36.38 35.79 2kpn s VAL 15 CO 0.23 0.17 1.03 -2.16 0.00 0.00 0.00 175.10 174.37 2kpn s PRO 16 N 0.85 4.42 0.22 2.72 0.04 -1.26 -4.98 135.00 137.00 2kpn s PRO 16 Ca -0.10 1.55 0.11 0.00 0.04 0.00 0.00 61.00 62.61 2kpn s PRO 16 Cb -0.13 -2.81 0.07 0.00 0.04 0.00 0.00 34.50 31.67 2kpn s PRO 16 CO -0.01 0.08 1.43 -0.24 0.04 0.00 0.00 177.00 178.30 2kpn h VAL 17 N 2.57 1.32 -2.32 -0.36 3.04 -1.95 -3.37 116.25 115.19 2kpn h VAL 17 Ca -0.47 -2.64 -0.06 0.00 -1.01 0.00 0.00 66.70 62.51 2kpn h VAL 17 Cb 1.21 2.51 -0.23 0.00 -2.01 0.00 0.00 31.29 32.77 2kpn h VAL 17 CO 0.64 0.71 -0.06 -0.83 -1.01 0.00 0.00 177.57 177.02 2kpn s GLY 18 N -4.56 -0.46 0.14 3.17 0.00 -1.26 -0.94 107.32 103.42 2kpn s GLY 18 Ca 0.01 1.77 0.05 0.00 0.00 0.00 0.00 44.72 46.55 2kpn s GLY 18 CO 0.77 1.64 -0.11 0.00 0.00 0.00 0.00 173.10 175.41 2kpn s ALA 19 N 0.72 1.44 -0.04 3.20 0.00 0.40 -4.92 121.76 122.56 2kpn s ALA 19 Ca -0.03 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2kpn s ALA 19 Cb -0.05 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2kpn s ALA 19 CO -0.05 -0.06 -0.03 0.99 0.00 0.00 0.00 175.76 176.60 2kpn s THR 20 N -3.08 0.47 0.30 0.00 2.01 -1.26 -0.64 115.64 113.43 2kpn s THR 20 Ca 0.15 -0.07 0.05 0.00 0.31 0.00 0.00 61.69 62.12 2kpn s THR 20 Cb 0.01 -0.51 -0.03 0.00 0.01 0.00 0.00 72.50 71.97 2kpn s THR 20 CO 0.01 0.21 0.22 0.27 -0.69 0.00 0.00 174.62 174.64 2kpn s ILE 21 N 1.00 0.07 0.30 1.82 -4.36 -0.68 -4.99 121.20 114.36 2kpn s ILE 21 Ca -0.10 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.36 2kpn s ILE 21 Cb -0.14 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 41.02 2kpn s ILE 21 CO -0.01 0.00 -0.05 -1.00 0.24 0.00 0.00 174.94 174.12 2kpn s HIS 22 N -3.62 2.05 -0.15 1.37 3.76 -1.26 -0.70 115.29 116.74 2kpn s HIS 22 Ca 0.39 -0.69 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 2kpn s HIS 22 Cb 0.04 -1.20 -0.06 0.00 1.11 0.00 0.00 32.58 32.47 2kpn s HIS 22 CO 0.22 0.31 2.16 0.08 -0.85 0.00 0.00 174.74 176.67 2kpn s VAL 23 N -2.96 3.00 0.00 -0.90 1.01 -0.82 -1.30 120.40 118.43 2kpn s VAL 23 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.29 2kpn s VAL 23 Cb 0.04 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2kpn s VAL 23 CO 0.13 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2kpn n GLY 24 N 5.46 1.29 3.72 4.51 0.00 -0.94 -4.85 105.19 114.38 2kpn n GLY 24 Ca 0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 2kpn n GLY 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpn s ASP 25 N -1.25 3.59 -0.16 1.61 1.01 -0.42 -5.05 116.67 116.00 2kpn s ASP 25 Ca 0.00 1.59 0.01 0.00 0.71 0.00 0.00 52.55 54.86 2kpn s ASP 25 Cb 0.00 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 41.69 2kpn s ASP 25 CO 0.00 -2.58 -0.20 -0.44 0.21 0.00 0.00 175.17 172.16 2kpn s SER 26 N -3.36 3.05 -0.13 0.27 0.01 -1.26 -4.88 113.70 107.40 2kpn s SER 26 Ca 0.63 -0.61 0.02 0.00 1.31 0.00 0.00 55.95 57.30 2kpn s SER 26 Cb -0.18 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2kpn s SER 26 CO 0.57 0.02 -0.20 0.12 0.41 0.00 0.00 173.24 174.16 2kpn s PHE 27 N 1.16 2.69 -0.38 2.43 2.19 -1.26 -5.10 117.98 119.71 2kpn s PHE 27 Ca 0.01 -1.12 -0.01 0.00 0.33 0.00 0.00 56.93 56.15 2kpn s PHE 27 Cb -0.14 -1.81 0.10 0.00 -1.31 0.00 0.00 43.02 39.86 2kpn s PHE 27 CO -0.09 -0.49 0.14 0.08 1.83 0.00 0.00 175.22 176.69 2kpn s VAL 28 N 0.65 2.95 0.18 3.12 1.01 -1.26 -5.00 120.40 122.05 2kpn s VAL 28 Ca -0.10 -2.10 -0.13 0.00 0.00 0.00 0.00 61.98 59.64 2kpn s VAL 28 Cb -0.16 -3.04 0.09 0.00 0.00 0.00 0.00 36.38 33.27 2kpn s VAL 28 CO 0.02 -0.62 1.73 -0.65 0.00 0.00 0.00 175.10 175.58 2kpn h PRO 29 N 7.91 0.28 0.00 2.72 0.11 -1.99 -2.12 132.00 138.90 2kpn h PRO 29 Ca -0.11 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2kpn h PRO 29 Cb 1.04 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2kpn h PRO 29 CO 0.63 0.18 0.00 -1.33 -0.21 0.00 0.00 178.00 177.27 2kpn n MET 30 N -5.06 0.91 -0.10 1.05 2.81 -1.26 -1.91 117.12 113.55 2kpn n MET 30 Ca 0.05 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.70 2kpn n MET 30 Cb 0.22 -1.47 -0.11 0.00 -0.71 0.00 0.00 33.22 31.14 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 -0.97 0.99 0.35 3.04 0.00 -0.81 -4.47 120.51 118.64 2kpn n ALA 31 Ca 0.21 -0.75 0.12 0.00 0.00 0.00 0.00 53.44 53.02 2kpn n ALA 31 Cb 0.09 -0.32 0.23 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 -0.77 0.00 -5.84 0.00 5.08 -1.49 -3.44 114.58 108.11 2kpn h GLU 32 Ca -0.49 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.23 2kpn h GLU 32 Cb 1.56 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.75 2kpn h GLU 32 CO -0.23 0.00 -0.38 0.08 -1.00 0.00 0.00 179.01 177.48 2kpn s VAL 33 N -3.18 5.32 0.00 3.13 1.01 -0.80 -4.86 120.40 121.01 2kpn s VAL 33 Ca 0.08 0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.26 2kpn s VAL 33 Cb 0.08 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.92 2kpn s VAL 33 CO 0.66 0.48 0.18 -0.22 0.00 0.00 0.00 175.10 176.20 2kpn s LEU 34 N -1.42 1.38 -0.07 3.92 0.20 -1.10 -4.80 118.68 116.79 2kpn s LEU 34 Ca 0.23 -0.17 -0.03 0.00 0.69 0.00 0.00 54.13 54.85 2kpn s LEU 34 Cb -0.13 0.84 0.04 0.00 -0.43 0.00 0.00 46.19 46.51 2kpn s LEU 34 CO 0.12 -0.42 0.13 0.00 -0.29 0.00 0.00 176.35 175.89 2kpn s ALA 35 N -1.55 -0.06 0.03 5.97 0.00 -1.26 -0.06 121.76 124.83 2kpn s ALA 35 Ca -0.13 0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.35 2kpn s ALA 35 Cb -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2kpn s ALA 35 CO 0.01 -0.51 -0.17 0.42 0.00 0.00 0.00 175.76 175.52 2kpn s ILE 36 N 2.16 1.36 0.09 0.00 -1.09 -0.67 -1.40 121.20 121.64 2kpn s ILE 36 Ca 0.02 -1.01 0.08 0.00 -2.23 0.00 0.00 60.65 57.52 2kpn s ILE 36 Cb -0.12 -1.19 -0.03 0.00 -1.58 0.00 0.00 42.46 39.54 2kpn s ILE 36 CO -0.05 0.16 -0.21 -0.62 -1.23 0.00 0.00 174.94 172.99 2kpn s ASP 37 N -0.99 2.53 0.07 3.58 2.15 0.13 -0.16 116.67 123.97 2kpn s ASP 37 Ca 0.05 -0.66 -0.37 0.00 0.43 0.00 0.00 52.55 52.00 2kpn s ASP 37 Cb -0.08 -0.15 -0.19 0.00 -0.30 0.00 0.00 42.92 42.20 2kpn s ASP 37 CO 0.01 0.07 1.56 0.50 -0.17 0.00 0.00 175.17 177.14 2kpn h LYS 38 N 4.18 -1.18 0.00 4.34 3.64 -1.85 -2.70 116.57 123.00 2kpn h LYS 38 Ca -0.46 0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 58.93 2kpn h LYS 38 Cb 1.18 0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 33.25 2kpn h LYS 38 CO 0.40 -0.78 -0.51 0.93 -2.27 0.00 0.00 179.45 177.22 2kpn h GLU 39 N -1.22 0.00 -0.28 1.90 3.07 -1.96 -3.40 114.58 112.69 2kpn h GLU 39 Ca -0.11 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.62 2kpn h GLU 39 Cb 0.98 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 2kpn h GLU 39 CO 0.11 0.64 -0.34 0.22 -1.40 0.00 0.00 179.01 178.24 2kpn h ASP 40 N -1.00 0.79 0.00 1.42 1.82 -1.97 -3.49 116.42 113.99 2kpn h ASP 40 Ca -0.12 -0.49 0.00 0.00 -0.39 0.00 0.00 57.03 56.03 2kpn h ASP 40 Cb 0.83 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.62 2kpn h ASP 40 CO -0.07 1.12 0.00 0.61 -1.61 0.00 0.00 179.24 179.29 2kpn n GLY 41 N 0.22 0.61 3.62 -0.78 0.00 -1.02 -4.97 105.19 102.88 2kpn n GLY 41 Ca -0.04 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 6.33 -0.03 1.61 -1.08 -1.26 0.17 116.67 118.40 2kpn s ASP 42 Ca 0.00 1.40 0.12 0.00 -0.52 0.00 0.00 52.55 53.55 2kpn s ASP 42 Cb 0.00 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.28 2kpn s ASP 42 CO 0.00 -1.34 1.29 0.18 0.52 0.00 0.00 175.17 175.82 2kpn n LEU 43 N 8.71 3.11 0.27 -1.34 4.77 -0.50 -4.59 117.00 127.44 2kpn n LEU 43 Ca 0.19 -2.18 0.10 0.00 -0.03 0.00 0.00 56.01 54.08 2kpn n LEU 43 Cb 0.46 -0.29 0.72 0.00 -2.33 0.00 0.00 43.42 41.98 2kpn n LEU 43 CO 0.66 0.72 1.09 0.74 -1.33 0.00 0.00 177.39 179.27 2kpn h THR 44 N 2.00 0.86 0.00 -5.08 2.02 -1.65 0.12 112.91 111.18 2kpn h THR 44 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2kpn h THR 44 Cb 0.86 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2kpn h THR 44 CO 0.04 0.00 -0.25 -1.28 0.37 0.00 0.00 175.52 174.41 2kpn h SER 45 N 0.00 0.00 1.28 4.18 0.87 -1.88 -3.03 113.55 114.97 2kpn h SER 45 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kpn h SER 45 Cb 0.02 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2kpn h SER 45 CO -0.00 0.25 -0.09 0.29 -0.53 0.00 0.00 176.83 176.74 2kpn n LYS 46 N -3.44 0.21 -1.90 2.24 4.76 0.41 -4.84 118.16 115.59 2kpn n LYS 46 Ca -0.00 0.15 -0.43 0.00 -2.87 0.00 0.00 58.31 55.17 2kpn n LYS 46 Cb 0.43 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 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 -3.09 3.40 -0.23 -0.18 1.01 -1.15 -4.53 121.20 116.43 2kpn s ILE 47 Ca 0.11 0.45 -0.12 0.00 0.00 0.00 0.00 60.65 61.09 2kpn s ILE 47 Cb 0.14 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 39.17 2kpn s ILE 47 CO 0.60 -0.15 0.23 -0.54 0.00 0.00 0.00 174.94 175.08 2kpn s LYS 48 N 4.92 4.09 -0.40 2.79 1.02 -0.11 -4.92 119.74 127.12 2kpn s LYS 48 Ca 0.81 -0.14 -0.17 0.00 0.02 0.00 0.00 55.97 56.49 2kpn s LYS 48 Cb -0.31 -3.55 0.01 0.00 -0.52 0.00 0.00 37.83 33.47 2kpn s LYS 48 CO 0.33 0.02 0.44 0.08 -0.92 0.00 0.00 175.35 175.30 2kpn s VAL 49 N 1.18 5.08 -0.15 3.17 1.01 -1.26 -1.80 120.40 127.62 2kpn s VAL 49 Ca 0.11 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 2kpn s VAL 49 Cb -0.14 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2kpn s VAL 49 CO 0.06 -0.36 0.17 -0.62 0.00 0.00 0.00 175.10 174.34 2kpn s ASP 50 N 1.81 6.34 0.00 3.32 2.15 0.64 -4.95 116.67 125.97 2kpn s ASP 50 Ca 0.13 0.40 0.00 0.00 0.43 0.00 0.00 52.55 53.51 2kpn s ASP 50 Cb -0.17 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2kpn s ASP 50 CO 0.14 0.27 0.00 0.61 -0.17 0.00 0.00 175.17 176.02 2kpn n GLY 51 N 2.79 1.63 3.09 2.66 0.00 -1.26 -0.65 105.19 113.44 2kpn n GLY 51 Ca -0.17 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.82 0.42 -0.15 1.61 2.56 -1.26 -4.97 118.70 115.09 2kpn s GLU 52 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.97 54.66 2kpn s GLU 52 Cb 0.00 0.18 0.03 0.00 2.00 0.00 0.00 34.13 36.34 2kpn s GLU 52 CO 0.00 -0.10 -0.10 0.08 -0.56 0.00 0.00 175.26 174.58 2kpn s VAL 53 N -1.15 1.36 0.05 3.70 1.01 -1.26 -4.76 120.40 119.35 2kpn s VAL 53 Ca -0.12 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2kpn s VAL 53 Cb -0.07 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.88 2kpn s VAL 53 CO 0.01 0.32 0.66 -1.81 0.00 0.00 0.00 175.10 174.28 2kpn s ASP 54 N 1.55 7.11 0.00 3.32 1.11 -1.26 -4.97 116.67 123.54 2kpn s ASP 54 Ca 0.03 1.32 0.22 0.00 0.18 0.00 0.00 52.55 54.30 2kpn s ASP 54 Cb -0.14 -2.41 -0.19 0.00 1.07 0.00 0.00 42.92 41.26 2kpn s ASP 54 CO -0.09 0.13 0.83 0.35 1.18 0.00 0.00 175.17 177.57 2kpn n THR 55 N 2.39 0.03 -0.02 -1.27 -2.24 -1.26 -4.30 114.28 107.61 2kpn n THR 55 Ca -0.06 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.50 2kpn n THR 55 Cb 0.50 0.57 -0.13 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.78 1.28 -4.99 4.28 -2.24 -1.26 -2.23 114.28 107.34 2kpn n THR 56 Ca 0.02 -0.75 -0.32 0.00 -2.27 0.00 0.00 64.05 60.72 2kpn n THR 56 Cb 0.41 -0.71 -0.15 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.76 3.03 0.21 -0.78 2.47 -1.26 -4.97 119.74 115.67 2kpn s LYS 57 Ca -0.06 -0.77 -0.18 0.00 -1.56 0.00 0.00 55.97 53.40 2kpn s LYS 57 Cb 0.08 -2.43 -0.08 0.00 -1.46 0.00 0.00 37.83 33.94 2kpn s LYS 57 CO 0.83 0.30 0.69 0.00 0.16 0.00 0.00 175.35 177.33 2kpn s ALA 58 N 0.09 3.44 0.00 3.13 0.00 -1.26 -4.62 121.76 122.55 2kpn s ALA 58 Ca -0.08 0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2kpn s ALA 58 Cb -0.15 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2kpn s ALA 58 CO 0.05 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.58 2kpn n GLY 59 N 0.67 0.03 3.63 0.00 0.00 -0.70 -4.99 105.19 103.84 2kpn n GLY 59 Ca -0.03 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 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 5.17 -0.17 2.61 2.01 -1.26 -0.87 115.64 121.13 2kpn s THR 60 Ca 0.00 0.67 0.01 0.00 0.31 0.00 0.00 61.69 62.68 2kpn s THR 60 Cb 0.00 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.80 2kpn s THR 60 CO 0.00 0.19 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.64 2kpn s TYR 61 N 1.79 2.54 -0.21 4.92 2.02 0.38 -4.96 117.35 123.83 2kpn s TYR 61 Ca 0.17 -1.50 -0.19 0.00 -0.37 0.00 0.00 57.07 55.19 2kpn s TYR 61 Cb -0.15 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2kpn s TYR 61 CO 0.09 -0.75 0.54 0.08 -1.57 0.00 0.00 175.55 173.93 2kpn s VAL 62 N 1.37 5.08 -0.21 0.71 1.01 -1.26 -0.88 120.40 126.23 2kpn s VAL 62 Ca 0.04 0.98 -0.07 0.00 0.00 0.00 0.00 61.98 62.93 2kpn s VAL 62 Cb -0.13 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2kpn s VAL 62 CO -0.12 0.15 0.06 -0.76 0.00 0.00 0.00 175.10 174.43 2kpn s LEU 63 N 1.82 3.65 -0.21 3.92 1.43 -0.12 -4.58 118.68 124.57 2kpn s LEU 63 Ca 0.24 -0.04 -0.10 0.00 -1.03 0.00 0.00 54.13 53.21 2kpn s LEU 63 Cb -0.15 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 2kpn s LEU 63 CO 0.10 0.09 0.12 -0.89 0.23 0.00 0.00 176.35 176.00 2kpn s THR 64 N 0.85 5.21 -0.27 5.49 2.01 0.17 -0.38 115.64 128.71 2kpn s THR 64 Ca 0.03 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.13 2kpn s THR 64 Cb -0.14 -3.39 0.03 0.00 0.01 0.00 0.00 72.50 69.01 2kpn s THR 64 CO 0.02 0.40 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.03 2kpn s TYR 65 N 0.71 3.13 -0.17 4.92 2.02 0.71 -0.26 117.35 128.40 2kpn s TYR 65 Ca 0.07 -1.49 -0.01 0.00 -0.37 0.00 0.00 57.07 55.26 2kpn s TYR 65 Cb -0.13 -2.12 -0.01 0.00 -0.40 0.00 0.00 41.96 39.31 2kpn s TYR 65 CO 0.01 -0.71 -0.10 0.99 -1.57 0.00 0.00 175.55 174.17 2kpn s THR 66 N 1.35 3.08 -0.04 -0.71 2.01 -0.74 -1.43 115.64 119.15 2kpn s THR 66 Ca -0.00 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2kpn s THR 66 Cb -0.17 -2.33 0.00 0.00 0.01 0.00 0.00 72.50 70.01 2kpn s THR 66 CO -0.02 0.49 -0.12 0.54 -0.69 0.00 0.00 174.62 174.82 2kpn s VAL 67 N 0.85 1.07 -0.07 3.82 0.11 0.01 -0.94 120.40 125.26 2kpn s VAL 67 Ca -0.03 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 2kpn s VAL 67 Cb -0.15 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.73 2kpn s VAL 67 CO 0.00 0.33 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.03 2kpn s THR 68 N 0.29 2.66 0.52 5.04 2.01 -1.26 -0.52 115.64 124.38 2kpn s THR 68 Ca -0.07 -0.85 -0.19 0.00 0.31 0.00 0.00 61.69 60.89 2kpn s THR 68 Cb -0.12 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.30 2kpn s THR 68 CO 0.02 0.57 1.07 -0.62 -0.69 0.00 0.00 174.62 174.96 2kpn s ASP 69 N -0.30 6.05 0.45 3.53 -1.08 0.53 -4.90 116.67 120.94 2kpn s ASP 69 Ca 0.01 1.98 0.15 0.00 -0.52 0.00 0.00 52.55 54.18 2kpn s ASP 69 Cb -0.13 -2.56 1.07 0.00 -1.46 0.00 0.00 42.92 39.84 2kpn s ASP 69 CO 0.03 -0.99 1.98 -1.28 0.52 0.00 0.00 175.17 175.43 2kpn h SER 70 N 1.24 0.32 -0.30 -0.34 0.87 -2.00 -0.27 113.55 113.07 2kpn h SER 70 Ca -0.49 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2kpn h SER 70 Cb 1.23 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2kpn h SER 70 CO 0.58 0.19 0.00 0.29 -0.53 0.00 0.00 176.83 177.36 2kpn n LYS 71 N -4.46 1.92 0.00 2.24 4.01 -1.26 -4.93 118.16 115.68 2kpn n LYS 71 Ca 0.10 -1.40 0.00 0.00 -0.51 0.00 0.00 58.31 56.50 2kpn n LYS 71 Cb 0.40 -1.38 0.00 0.00 -0.51 0.00 0.00 35.03 33.54 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 1.19 1.48 3.28 0.72 0.00 -0.11 -5.10 105.19 106.65 2kpn n GLY 72 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 3.24 -0.18 1.61 3.76 -1.24 -4.89 115.29 115.58 2kpn s HIS 73 Ca 0.00 -1.35 -0.13 0.00 -0.15 0.00 0.00 55.06 53.43 2kpn s HIS 73 Cb 0.00 -2.28 -0.05 0.00 1.11 0.00 0.00 32.58 31.37 2kpn s HIS 73 CO 0.00 -0.71 0.27 -2.00 -0.85 0.00 0.00 174.74 171.45 2kpn s GLU 74 N 1.42 4.21 -0.08 1.40 2.12 -1.26 -0.35 118.70 126.16 2kpn s GLU 74 Ca -0.01 0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.37 2kpn s GLU 74 Cb -0.19 -3.46 0.01 0.00 0.26 0.00 0.00 34.13 30.75 2kpn s GLU 74 CO 0.03 0.17 -0.15 0.08 -0.54 0.00 0.00 175.26 174.85 2kpn s VAL 75 N 0.69 1.38 -0.03 3.70 1.01 0.33 -5.00 120.40 122.47 2kpn s VAL 75 Ca 0.15 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2kpn s VAL 75 Cb -0.13 -1.24 0.03 0.00 0.00 0.00 0.00 36.38 35.04 2kpn s VAL 75 CO 0.04 0.41 -0.01 0.28 0.00 0.00 0.00 175.10 175.82 2kpn s THR 76 N 0.63 0.24 0.09 3.92 -1.32 -1.26 -0.81 115.64 117.13 2kpn s THR 76 Ca -0.15 0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.42 2kpn s THR 76 Cb -0.16 -0.33 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 2kpn s THR 76 CO 0.04 0.17 -0.07 0.00 -2.21 0.00 0.00 174.62 172.55 2kpn s ALA 77 N 1.10 0.92 0.25 11.08 0.00 -0.52 -4.97 121.76 129.61 2kpn s ALA 77 Ca -0.09 -1.22 0.11 0.00 0.00 0.00 0.00 51.96 50.76 2kpn s ALA 77 Cb -0.14 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 2kpn s ALA 77 CO -0.02 -0.17 -0.20 0.15 0.00 0.00 0.00 175.76 175.52 2kpn s LYS 78 N -3.30 1.57 -0.06 0.00 1.02 -1.26 -0.21 119.74 117.50 2kpn s LYS 78 Ca 0.07 -1.68 0.02 0.00 0.02 0.00 0.00 55.97 54.40 2kpn s LYS 78 Cb 0.02 -1.66 0.02 0.00 -0.52 0.00 0.00 37.83 35.68 2kpn s LYS 78 CO -0.03 0.32 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.48 2kpn s GLN 79 N -3.34 1.41 -0.58 1.68 0.74 0.48 -4.50 119.66 115.55 2kpn s GLN 79 Ca 0.26 -0.30 -0.23 0.00 0.05 0.00 0.00 55.36 55.15 2kpn s GLN 79 Cb -0.05 -1.26 0.05 0.00 1.10 0.00 0.00 33.01 32.86 2kpn s GLN 79 CO 0.12 -0.04 0.91 0.99 -0.55 0.00 0.00 175.29 176.72 2kpn s THR 80 N 0.88 4.43 -0.45 -0.34 2.01 -0.11 -0.95 115.64 121.12 2kpn s THR 80 Ca -0.11 -0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.69 2kpn s THR 80 Cb -0.15 -4.55 0.04 0.00 0.01 0.00 0.00 72.50 67.84 2kpn s THR 80 CO 0.01 -1.18 0.47 -0.69 -0.69 0.00 0.00 174.62 172.54 2kpn s VAL 81 N 3.81 5.07 -0.45 3.82 1.01 -0.06 -0.45 120.40 133.16 2kpn s VAL 81 Ca 0.26 -0.49 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 2kpn s VAL 81 Cb -0.15 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.16 2kpn s VAL 81 CO 0.15 -0.52 0.54 -0.89 0.00 0.00 0.00 175.10 174.38 2kpn s THR 82 N 2.16 4.97 -0.20 3.92 2.01 0.19 -0.47 115.64 128.22 2kpn s THR 82 Ca 0.11 -0.26 -0.16 0.00 0.31 0.00 0.00 61.69 61.69 2kpn s THR 82 Cb -0.19 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 2kpn s THR 82 CO 0.12 -0.56 0.40 -0.69 -0.69 0.00 0.00 174.62 173.21 2kpn s VAL 83 N 2.43 5.20 0.06 3.82 1.01 -0.05 -1.68 120.40 131.18 2kpn s VAL 83 Ca 0.16 0.72 0.07 0.00 0.00 0.00 0.00 61.98 62.93 2kpn s VAL 83 Cb -0.17 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2kpn s VAL 83 CO 0.15 0.25 -0.16 -0.54 0.00 0.00 0.00 175.10 174.80 2kpn s LYS 84 N 1.31 2.06 0.23 2.72 1.02 0.13 -1.71 119.74 125.49 2kpn s LYS 84 Ca 0.19 -1.00 -0.20 0.00 0.02 0.00 0.00 55.97 54.98 2kpn s LYS 84 Cb -0.15 -2.21 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 2kpn s LYS 84 CO 0.08 0.53 0.74 0.08 -0.92 0.00 0.00 175.35 175.86 2kpn s VAL 85 N -1.01 4.55 -0.05 3.17 1.01 -1.26 -1.95 120.40 124.86 2kpn s VAL 85 Ca 0.16 1.31 -0.14 0.00 0.00 0.00 0.00 61.98 63.31 2kpn s VAL 85 Cb -0.11 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2kpn s VAL 85 CO 0.07 0.18 0.38 -0.13 0.00 0.00 0.00 175.10 175.61 2kpn s ARG 86 N -2.03 3.98 0.00 2.72 1.81 -1.26 -4.94 118.95 119.23 2kpn s ARG 86 Ca 0.44 0.33 0.00 0.00 -1.72 0.00 0.00 55.73 54.78 2kpn s ARG 86 Cb -0.16 -3.27 0.00 0.00 -0.45 0.00 0.00 34.95 31.06 2kpn s ARG 86 CO 0.21 0.57 1.43 0.39 -0.68 0.00 0.00 175.30 177.21 2kpn n GLU 87 N 2.32 0.89 -3.87 3.54 1.02 -1.26 -4.61 120.64 118.67 2kpn n GLU 87 Ca -0.13 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.70 2kpn n GLU 87 Cb 0.52 -1.05 -0.15 0.00 -0.02 0.00 0.00 31.44 30.74 2kpn n GLU 87 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2kpn s GLU 88 N 0.17 1.23 -1.07 3.49 2.02 -1.26 -5.04 118.70 118.24 2kpn s GLU 88 Ca 0.00 -1.68 -0.21 0.00 0.02 0.00 0.00 54.97 53.10 2kpn s GLU 88 Cb 0.00 -2.67 -0.09 0.00 0.10 0.00 0.00 34.13 31.47 2kpn s GLU 88 CO 0.00 -1.00 1.93 1.33 0.02 0.00 0.00 175.26 177.54 2kpn n VAL 89 N 4.27 2.24 -3.76 2.63 0.24 -1.26 -4.85 118.33 117.84 2kpn n VAL 89 Ca 0.02 -2.18 -0.13 0.00 -2.04 0.00 0.00 64.34 60.01 2kpn n VAL 89 Cb 0.40 -2.28 -0.14 0.00 -1.47 0.00 0.00 33.84 30.35 2kpn n VAL 89 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2kpn s LYS 90 N 5.41 0.09 0.14 7.34 -2.85 -1.26 -5.15 119.74 123.45 2kpn s LYS 90 Ca 0.61 0.33 0.08 0.00 -1.00 0.00 0.00 55.97 55.99 2kpn s LYS 90 Cb 0.07 -0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.65 2kpn s LYS 90 CO 0.11 -0.14 -0.10 -0.80 0.10 0.00 0.00 175.35 174.52 2kpn s ASN 91 N 0.99 4.35 0.00 0.03 0.02 -1.26 -5.01 114.94 114.05 2kpn s ASN 91 Ca -0.08 -0.46 0.00 0.00 -1.02 0.00 0.00 52.86 51.30 2kpn s ASN 91 Cb -0.10 -0.79 0.00 0.00 0.02 0.00 0.00 41.25 40.38 2kpn s ASN 91 CO -0.05 0.15 1.38 -0.90 0.02 0.00 0.00 177.10 177.70 2kpn n ASP 92 N 0.42 3.82 -1.14 -1.22 5.75 -1.26 -4.93 116.55 117.99 2kpn n ASP 92 Ca -0.12 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 2kpn n ASP 92 Cb 0.54 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 2kpn n ASP 92 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kpn n LYS 93 N 1.10 -3.01 -0.69 0.11 5.02 -1.26 -4.94 118.16 114.49 2kpn n LYS 93 Ca 0.00 2.33 -0.31 0.00 -2.02 0.00 0.00 58.31 58.31 2kpn n LYS 93 Cb 0.45 -2.91 0.16 0.00 -0.02 0.00 0.00 35.03 32.71 2kpn n LYS 93 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kpn n PRO 94 N -2.27 -0.55 -1.77 1.97 -0.04 -1.26 -4.81 135.00 126.28 2kpn n PRO 94 Ca 0.00 -0.10 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 2kpn n PRO 94 Cb 0.34 -2.22 -0.05 0.00 -0.04 0.00 0.00 33.50 31.53 2kpn n PRO 94 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kpn s ILE 95 N -2.56 3.18 0.26 0.52 1.01 -1.26 -4.93 121.20 117.42 2kpn s ILE 95 Ca 0.64 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.92 2kpn s ILE 95 Cb -0.22 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 38.73 2kpn s ILE 95 CO 0.61 -0.40 1.06 -0.76 0.00 0.00 0.00 174.94 175.46 2kpn s LEU 96 N 12.21 4.57 0.00 2.97 1.43 -1.26 -5.32 118.68 133.27 2kpn s LEU 96 Ca 0.84 2.18 0.20 0.00 -1.03 0.00 0.00 54.13 56.32 2kpn s LEU 96 Cb -0.12 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.64 2kpn s LEU 96 CO 0.11 -0.09 1.13 1.21 0.23 0.00 0.00 176.35 178.95