#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 3.47 3.67 3.17 0.00 -1.26 -5.20 105.19 109.05 2kpn n GLY 2 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 46.02 45.73 2kpn n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kpn s ASN 3 N 0.00 -0.17 0.00 1.61 2.20 -1.26 -5.18 114.94 112.14 2kpn s ASN 3 Ca 0.00 -0.78 0.00 0.00 -0.94 0.00 0.00 52.86 51.14 2kpn s ASN 3 Cb 0.00 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 2kpn s ASN 3 CO 0.00 -1.20 0.00 0.61 -2.94 0.00 0.00 177.10 173.57 2kpn n GLY 4 N -0.40 -1.87 2.96 0.45 0.00 -1.26 -5.15 105.19 99.92 2kpn n GLY 4 Ca -0.03 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.98 0.54 0.04 1.61 2.02 -1.26 -5.16 118.70 114.50 2kpn s GLU 5 Ca 0.00 -0.19 0.03 0.00 0.02 0.00 0.00 54.97 54.83 2kpn s GLU 5 Cb 0.00 -0.53 -0.02 0.00 0.10 0.00 0.00 34.13 33.68 2kpn s GLU 5 CO 0.00 0.09 -0.10 -0.08 0.02 0.00 0.00 175.26 175.19 2kpn s THR 6 N 0.05 0.77 0.06 3.63 -1.32 -1.26 -5.15 115.64 112.43 2kpn s THR 6 Ca -0.00 -0.93 -0.23 0.00 -1.21 0.00 0.00 61.69 59.32 2kpn s THR 6 Cb -0.05 -0.74 -0.06 0.00 -1.51 0.00 0.00 72.50 70.14 2kpn s THR 6 CO -0.00 -0.15 0.69 -0.44 -2.21 0.00 0.00 174.62 172.50 2kpn s SER 7 N -1.20 7.16 0.43 8.08 0.01 -1.26 -5.08 113.70 121.84 2kpn s SER 7 Ca -0.03 1.38 -0.10 0.00 1.31 0.00 0.00 55.95 58.51 2kpn s SER 7 Cb -0.08 -2.43 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 2kpn s SER 7 CO 0.01 0.13 0.79 -0.62 0.41 0.00 0.00 173.24 173.96 2kpn s ASP 8 N -0.54 6.48 -0.12 2.44 -1.08 -1.26 -5.08 116.67 117.51 2kpn s ASP 8 Ca 0.34 1.14 -0.06 0.00 -0.52 0.00 0.00 52.55 53.45 2kpn s ASP 8 Cb -0.20 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 2kpn s ASP 8 CO 0.21 -0.45 0.08 -0.76 0.52 0.00 0.00 175.17 174.77 2kpn s LEU 9 N -4.04 4.02 0.61 -1.34 1.43 -1.26 -5.10 118.68 113.00 2kpn s LEU 9 Ca 0.51 0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 53.72 2kpn s LEU 9 Cb -0.10 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2kpn s LEU 9 CO 0.34 0.35 1.16 -1.61 0.23 0.00 0.00 176.35 176.82 2kpn s GLU 10 N -0.67 2.98 0.59 1.70 8.01 -1.26 -4.73 118.70 125.32 2kpn s GLU 10 Ca 0.12 1.64 -0.16 0.00 0.01 0.00 0.00 54.97 56.58 2kpn s GLU 10 Cb -0.12 -1.95 -0.04 0.00 -4.31 0.00 0.00 34.13 27.72 2kpn s GLU 10 CO 0.02 -1.16 1.08 -1.25 0.01 0.00 0.00 175.26 173.96 2kpn s PRO 11 N -3.55 3.25 -0.52 0.39 0.04 -1.26 -4.73 135.00 128.61 2kpn s PRO 11 Ca 0.73 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.88 2kpn s PRO 11 Cb -0.26 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.32 2kpn s PRO 11 CO 0.34 -0.88 0.71 0.21 0.04 0.00 0.00 177.00 177.42 2kpn s LYS 12 N -3.90 3.17 -0.27 4.56 2.36 0.41 -4.91 119.74 121.16 2kpn s LYS 12 Ca 0.66 -0.77 -0.16 0.00 -2.55 0.00 0.00 55.97 53.16 2kpn s LYS 12 Cb -0.18 -4.10 -0.03 0.00 -1.05 0.00 0.00 37.83 32.47 2kpn s LYS 12 CO 0.35 -1.31 0.41 -1.17 1.55 0.00 0.00 175.35 175.18 2kpn s LEU 13 N 2.97 4.04 -0.38 5.43 2.96 -1.26 -1.60 118.68 130.84 2kpn s LEU 13 Ca 0.19 0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 54.32 2kpn s LEU 13 Cb -0.18 -2.48 0.02 0.00 0.50 0.00 0.00 46.19 44.05 2kpn s LEU 13 CO 0.13 -0.21 0.25 -0.89 -1.32 0.00 0.00 176.35 174.31 2kpn s THR 14 N 2.12 4.92 -0.05 3.68 2.01 0.32 -4.98 115.64 123.66 2kpn s THR 14 Ca 0.16 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.46 2kpn s THR 14 Cb -0.16 -3.72 0.02 0.00 0.01 0.00 0.00 72.50 68.66 2kpn s THR 14 CO 0.10 -0.23 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.08 2kpn s VAL 15 N 1.62 0.41 0.41 3.82 1.01 -1.26 -2.60 120.40 123.81 2kpn s VAL 15 Ca 0.04 -0.00 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 2kpn s VAL 15 Cb -0.19 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 2kpn s VAL 15 CO 0.08 0.22 1.10 -2.16 0.00 0.00 0.00 175.10 174.34 2kpn s PRO 16 N 1.28 4.09 0.35 2.72 0.04 -1.26 -4.88 135.00 137.33 2kpn s PRO 16 Ca -0.06 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.70 2kpn s PRO 16 Cb -0.13 -2.57 0.67 0.00 0.04 0.00 0.00 34.50 32.50 2kpn s PRO 16 CO -0.02 -0.24 1.86 -0.24 0.04 0.00 0.00 177.00 178.40 2kpn h VAL 17 N 2.20 1.21 -1.90 -0.36 3.04 -1.96 -3.36 116.25 115.12 2kpn h VAL 17 Ca -0.48 -0.93 -0.02 0.00 -1.01 0.00 0.00 66.70 64.25 2kpn h VAL 17 Cb 1.22 1.23 -0.21 0.00 -2.01 0.00 0.00 31.29 31.53 2kpn h VAL 17 CO 0.62 0.29 0.26 -0.83 -1.01 0.00 0.00 177.57 176.90 2kpn s GLY 18 N -4.03 -0.49 -0.01 3.17 0.00 -1.26 -0.92 107.32 103.79 2kpn s GLY 18 Ca -0.06 1.66 0.02 0.00 0.00 0.00 0.00 44.72 46.34 2kpn s GLY 18 CO 0.75 1.17 -0.05 0.00 0.00 0.00 0.00 173.10 174.97 2kpn s ALA 19 N -0.80 0.43 -0.16 3.20 0.00 -1.09 -4.95 121.76 118.39 2kpn s ALA 19 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.69 2kpn s ALA 19 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.99 2kpn s ALA 19 CO 0.06 0.10 -0.17 0.99 0.00 0.00 0.00 175.76 176.74 2kpn s THR 20 N -0.08 2.49 0.39 0.00 2.01 -1.26 -1.08 115.64 118.12 2kpn s THR 20 Ca 0.01 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.23 2kpn s THR 20 Cb -0.02 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 2kpn s THR 20 CO -0.00 0.52 0.13 0.27 -0.69 0.00 0.00 174.62 174.85 2kpn s ILE 21 N 0.94 0.62 0.39 1.82 -4.36 -0.46 -5.00 121.20 115.15 2kpn s ILE 21 Ca -0.03 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.43 2kpn s ILE 21 Cb -0.15 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.11 2kpn s ILE 21 CO -0.03 0.00 0.14 -1.00 0.24 0.00 0.00 174.94 174.30 2kpn s HIS 22 N -3.25 2.60 -0.06 1.37 3.76 -1.26 0.15 115.29 118.60 2kpn s HIS 22 Ca 0.26 -0.55 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 2kpn s HIS 22 Cb 0.03 -1.85 -0.06 0.00 1.11 0.00 0.00 32.58 31.81 2kpn s HIS 22 CO 0.15 0.26 1.86 0.08 -0.85 0.00 0.00 174.74 176.24 2kpn s VAL 23 N -2.58 3.28 0.00 -0.90 1.01 0.41 -1.80 120.40 119.83 2kpn s VAL 23 Ca 0.39 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2kpn s VAL 23 Cb 0.03 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2kpn s VAL 23 CO 0.22 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.87 2kpn n GLY 24 N 4.60 0.84 3.96 4.51 0.00 0.15 -4.82 105.19 114.42 2kpn n GLY 24 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.18 5.70 0.17 1.61 1.11 -0.74 -5.10 116.67 117.23 2kpn s ASP 25 Ca 0.00 0.15 -0.07 0.00 0.18 0.00 0.00 52.55 52.80 2kpn s ASP 25 Cb 0.00 -1.31 -0.06 0.00 1.07 0.00 0.00 42.92 42.62 2kpn s ASP 25 CO 0.00 -0.79 0.45 -0.44 1.18 0.00 0.00 175.17 175.56 2kpn s SER 26 N -4.27 6.56 -0.21 0.27 0.01 -1.26 -4.93 113.70 109.87 2kpn s SER 26 Ca 0.51 0.74 -0.05 0.00 1.31 0.00 0.00 55.95 58.45 2kpn s SER 26 Cb -0.10 -2.15 0.10 0.00 0.21 0.00 0.00 66.02 64.08 2kpn s SER 26 CO 0.37 0.02 0.40 0.12 0.41 0.00 0.00 173.24 174.56 2kpn s PHE 27 N -1.69 -0.79 -0.52 2.43 5.36 -1.26 -5.00 117.98 116.51 2kpn s PHE 27 Ca 0.43 1.25 0.01 0.00 -0.96 0.00 0.00 56.93 57.66 2kpn s PHE 27 Cb -0.12 0.19 0.13 0.00 -0.34 0.00 0.00 43.02 42.88 2kpn s PHE 27 CO 0.23 -0.56 0.28 0.08 -1.46 0.00 0.00 175.22 173.79 2kpn s VAL 28 N 2.58 2.96 0.43 3.12 1.01 -1.26 -4.97 120.40 124.27 2kpn s VAL 28 Ca 0.04 -2.95 0.11 0.00 0.00 0.00 0.00 61.98 59.17 2kpn s VAL 28 Cb -0.13 -3.02 0.21 0.00 0.00 0.00 0.00 36.38 33.44 2kpn s VAL 28 CO -0.14 -0.78 2.01 1.55 0.00 0.00 0.00 175.10 177.74 2kpn h PRO 29 N 6.97 0.23 0.00 2.72 0.13 -1.99 -1.94 132.00 138.12 2kpn h PRO 29 Ca -0.06 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2kpn h PRO 29 Cb 0.94 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2kpn h PRO 29 CO 0.67 0.27 0.00 -1.33 -0.23 0.00 0.00 178.00 177.38 2kpn n MET 30 N -4.39 0.81 -0.08 0.86 2.81 -1.26 -1.35 117.12 114.53 2kpn n MET 30 Ca -0.01 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.81 2kpn n MET 30 Cb 0.18 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.06 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 -1.07 1.61 -0.01 3.04 0.00 -0.75 -4.61 120.51 118.73 2kpn n ALA 31 Ca 0.20 -1.03 -0.05 0.00 0.00 0.00 0.00 53.44 52.56 2kpn n ALA 31 Cb 0.13 -0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.38 2kpn n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kpn n GLU 32 N -2.58 0.63 -3.57 0.00 1.02 -1.11 -4.84 120.64 110.18 2kpn n GLU 32 Ca -0.26 0.23 -0.37 0.00 -0.02 0.00 0.00 57.16 56.75 2kpn n GLU 32 Cb 1.01 -1.77 -0.09 0.00 -0.02 0.00 0.00 31.44 30.57 2kpn n GLU 32 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2kpn s VAL 33 N -2.73 5.30 0.15 2.62 1.01 -0.46 -4.84 120.40 121.45 2kpn s VAL 33 Ca -0.04 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.37 2kpn s VAL 33 Cb 0.08 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2kpn s VAL 33 CO 0.82 0.31 -0.18 -0.76 0.00 0.00 0.00 175.10 175.29 2kpn s LEU 34 N 1.20 2.41 -0.05 3.92 1.02 -1.07 -4.74 118.68 121.37 2kpn s LEU 34 Ca 0.11 -0.83 -0.01 0.00 0.02 0.00 0.00 54.13 53.42 2kpn s LEU 34 Cb -0.14 -0.77 0.03 0.00 0.02 0.00 0.00 46.19 45.33 2kpn s LEU 34 CO 0.06 -0.05 0.02 0.00 0.02 0.00 0.00 176.35 176.40 2kpn s ALA 35 N -1.96 0.47 -0.14 4.21 0.00 -1.26 -0.52 121.76 122.55 2kpn s ALA 35 Ca 0.13 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 2kpn s ALA 35 Cb -0.06 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.48 2kpn s ALA 35 CO 0.05 -0.38 -0.06 0.42 0.00 0.00 0.00 175.76 175.79 2kpn s ILE 36 N 1.81 1.09 0.14 0.00 -1.09 -0.63 -0.34 121.20 122.19 2kpn s ILE 36 Ca 0.02 -0.49 -0.05 0.00 -2.23 0.00 0.00 60.65 57.89 2kpn s ILE 36 Cb -0.12 -1.20 -0.06 0.00 -1.58 0.00 0.00 42.46 39.50 2kpn s ILE 36 CO -0.04 0.23 0.39 -0.62 -1.23 0.00 0.00 174.94 173.67 2kpn s ASP 37 N 1.66 6.51 0.06 3.58 2.15 0.15 -0.45 116.67 130.33 2kpn s ASP 37 Ca 0.03 0.62 -0.17 0.00 0.43 0.00 0.00 52.55 53.45 2kpn s ASP 37 Cb -0.14 -2.10 -0.16 0.00 -0.30 0.00 0.00 42.92 40.22 2kpn s ASP 37 CO -0.08 0.05 1.28 0.50 -0.17 0.00 0.00 175.17 176.76 2kpn h LYS 38 N 2.87 0.57 0.08 4.34 3.64 -1.84 -0.12 116.57 126.11 2kpn h LYS 38 Ca -0.46 -0.41 -0.20 0.00 -1.27 0.00 0.00 60.65 58.31 2kpn h LYS 38 Cb 1.17 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2kpn h LYS 38 CO 0.72 1.03 -1.00 0.93 -2.27 0.00 0.00 179.45 178.86 2kpn h GLU 39 N 0.21 0.18 -0.01 1.90 3.07 -1.96 -3.40 114.58 114.57 2kpn h GLU 39 Ca -0.01 -0.31 -0.02 0.00 -0.50 0.00 0.00 59.36 58.52 2kpn h GLU 39 Cb 1.07 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2kpn h GLU 39 CO 0.10 1.15 -0.09 0.22 -1.40 0.00 0.00 179.01 178.98 2kpn h ASP 40 N -0.54 0.10 0.00 1.42 3.58 -1.98 -3.50 116.42 115.50 2kpn h ASP 40 Ca -0.22 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 56.51 2kpn h ASP 40 Cb 1.53 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.56 2kpn h ASP 40 CO 0.03 0.80 0.00 0.61 -2.88 0.00 0.00 179.24 177.80 2kpn n GLY 41 N 0.86 0.61 3.65 -0.78 0.00 -0.06 -4.97 105.19 104.50 2kpn n GLY 41 Ca -0.09 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 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 6.91 -0.06 1.61 2.15 -1.26 0.31 116.67 122.33 2kpn s ASP 42 Ca 0.00 1.28 0.09 0.00 0.43 0.00 0.00 52.55 54.35 2kpn s ASP 42 Cb 0.00 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.28 2kpn s ASP 42 CO 0.00 -0.86 1.14 0.18 -0.17 0.00 0.00 175.17 175.46 2kpn n LEU 43 N 6.88 2.50 -0.07 -1.34 4.77 0.54 -4.74 117.00 125.55 2kpn n LEU 43 Ca 0.13 -2.43 0.06 0.00 -0.03 0.00 0.00 56.01 53.74 2kpn n LEU 43 Cb 0.46 -0.23 0.42 0.00 -2.33 0.00 0.00 43.42 41.74 2kpn n LEU 43 CO 0.58 0.62 1.18 0.74 -1.33 0.00 0.00 177.39 179.19 2kpn h THR 44 N 0.58 1.04 0.00 -5.08 2.02 -1.72 0.94 112.91 110.71 2kpn h THR 44 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 2kpn h THR 44 Cb 0.80 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2kpn h THR 44 CO 0.03 0.11 0.00 0.77 0.37 0.00 0.00 175.52 176.79 2kpn h SER 45 N 0.59 0.00 -0.15 4.18 4.64 -1.89 -2.77 113.55 118.14 2kpn h SER 45 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2kpn h SER 45 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2kpn h SER 45 CO -0.06 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.19 2kpn n LYS 46 N -2.74 1.82 -2.51 4.77 4.76 0.32 -4.90 118.16 119.68 2kpn n LYS 46 Ca 0.01 -1.22 -0.42 0.00 -2.87 0.00 0.00 58.31 53.81 2kpn n LYS 46 Cb 0.28 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 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 -1.82 4.36 -0.21 -0.18 1.01 -1.05 -3.95 121.20 119.36 2kpn s ILE 47 Ca 0.34 1.68 -0.17 0.00 0.00 0.00 0.00 60.65 62.49 2kpn s ILE 47 Cb 0.19 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2kpn s ILE 47 CO 0.28 0.01 0.47 -0.54 0.00 0.00 0.00 174.94 175.16 2kpn s LYS 48 N 2.06 4.16 -0.47 2.79 1.02 0.02 -4.94 119.74 124.38 2kpn s LYS 48 Ca 0.54 0.31 -0.18 0.00 0.02 0.00 0.00 55.97 56.66 2kpn s LYS 48 Cb -0.24 -3.57 0.05 0.00 -0.52 0.00 0.00 37.83 33.56 2kpn s LYS 48 CO 0.22 -0.14 0.53 0.08 -0.92 0.00 0.00 175.35 175.12 2kpn s VAL 49 N 1.61 5.00 -0.17 3.17 1.01 -1.26 -1.85 120.40 127.91 2kpn s VAL 49 Ca 0.21 -0.53 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2kpn s VAL 49 Cb -0.15 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2kpn s VAL 49 CO 0.09 -0.65 0.13 -0.62 0.00 0.00 0.00 175.10 174.06 2kpn s ASP 50 N 2.39 6.28 0.00 3.32 2.15 0.09 -4.97 116.67 125.93 2kpn s ASP 50 Ca 0.13 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.43 2kpn s ASP 50 Cb -0.19 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2kpn s ASP 50 CO 0.12 0.27 0.00 0.61 -0.17 0.00 0.00 175.17 176.00 2kpn n GLY 51 N 2.90 0.07 3.56 2.66 0.00 -1.26 -1.01 105.19 112.11 2kpn n GLY 51 Ca -0.18 -2.29 -0.12 0.00 0.00 0.00 0.00 46.02 43.43 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 0.00 0.73 -0.12 1.61 2.56 -1.26 -5.06 118.70 117.16 2kpn s GLU 52 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 54.97 55.94 2kpn s GLU 52 Cb 0.00 0.31 0.02 0.00 2.00 0.00 0.00 34.13 36.45 2kpn s GLU 52 CO 0.00 -0.11 -0.13 0.08 -0.56 0.00 0.00 175.26 174.55 2kpn s VAL 53 N 0.64 1.38 0.04 3.70 1.01 -1.26 -4.74 120.40 121.16 2kpn s VAL 53 Ca -0.02 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 2kpn s VAL 53 Cb -0.05 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 34.98 2kpn s VAL 53 CO -0.04 0.42 0.41 -0.62 0.00 0.00 0.00 175.10 175.28 2kpn s ASP 54 N 1.26 6.75 0.00 3.32 2.15 -1.26 -5.00 116.67 123.89 2kpn s ASP 54 Ca -0.01 0.90 0.20 0.00 0.43 0.00 0.00 52.55 54.07 2kpn s ASP 54 Cb -0.14 -2.22 -0.19 0.00 -0.30 0.00 0.00 42.92 40.07 2kpn s ASP 54 CO -0.05 0.25 0.85 0.35 -0.17 0.00 0.00 175.17 176.40 2kpn n THR 55 N 1.41 0.00 0.85 1.71 -2.24 -1.26 -4.39 114.28 110.36 2kpn n THR 55 Ca -0.11 -0.06 0.10 0.00 -2.27 0.00 0.00 64.05 61.71 2kpn n THR 55 Cb 0.52 1.03 0.08 0.00 -2.10 0.00 0.00 70.33 69.86 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 -1.31 0.00 -3.79 4.28 -2.24 -1.26 0.29 114.28 110.25 2kpn n THR 56 Ca 0.04 -0.50 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 2kpn n THR 56 Cb 0.32 1.42 -0.13 0.00 -2.10 0.00 0.00 70.33 69.84 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 -1.70 0.15 0.41 -0.78 2.36 -1.26 -4.95 119.74 113.97 2kpn s LYS 57 Ca 0.24 0.28 -0.25 0.00 -2.55 0.00 0.00 55.97 53.68 2kpn s LYS 57 Cb 0.17 -0.00 -0.08 0.00 -1.05 0.00 0.00 37.83 36.86 2kpn s LYS 57 CO 0.26 -0.07 1.18 0.00 1.55 0.00 0.00 175.35 178.26 2kpn s ALA 58 N 0.46 3.12 0.00 3.13 0.00 -1.26 -4.81 121.76 122.41 2kpn s ALA 58 Ca -0.03 0.97 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2kpn s ALA 58 Cb -0.05 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2kpn s ALA 58 CO -0.02 -0.57 0.00 0.41 0.00 0.00 0.00 175.76 175.58 2kpn n GLY 59 N 0.59 2.30 3.63 0.00 0.00 -0.73 -4.98 105.19 106.00 2kpn n GLY 59 Ca 0.05 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.07 2.61 2.01 -1.26 -0.58 115.64 121.53 2kpn s THR 60 Ca 0.00 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.16 2kpn s THR 60 Cb 0.00 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 2kpn s THR 60 CO 0.00 0.35 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.74 2kpn s TYR 61 N 1.11 2.26 -0.11 4.92 2.02 0.96 -4.98 117.35 123.54 2kpn s TYR 61 Ca 0.07 -0.76 -0.14 0.00 -0.37 0.00 0.00 57.07 55.87 2kpn s TYR 61 Cb -0.14 -1.51 -0.05 0.00 -0.40 0.00 0.00 41.96 39.87 2kpn s TYR 61 CO 0.05 -0.27 0.34 0.08 -1.57 0.00 0.00 175.55 174.18 2kpn s VAL 62 N 0.07 5.24 -0.12 0.71 1.01 -1.26 -0.85 120.40 125.20 2kpn s VAL 62 Ca -0.09 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.59 2kpn s VAL 62 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2kpn s VAL 62 CO 0.05 0.44 -0.23 -0.76 0.00 0.00 0.00 175.10 174.60 2kpn s LEU 63 N 0.04 2.12 -0.22 3.92 1.43 -0.04 -4.37 118.68 121.57 2kpn s LEU 63 Ca 0.20 -0.57 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2kpn s LEU 63 Cb -0.14 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 2kpn s LEU 63 CO 0.07 0.12 -0.04 -0.89 0.23 0.00 0.00 176.35 175.84 2kpn s THR 64 N 0.56 3.41 -0.26 5.49 2.01 -0.18 -0.42 115.64 126.26 2kpn s THR 64 Ca -0.13 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 2kpn s THR 64 Cb -0.17 -2.55 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2kpn s THR 64 CO 0.04 0.43 0.10 -0.31 -0.69 0.00 0.00 174.62 174.18 2kpn s TYR 65 N 1.41 3.12 -0.14 4.92 1.51 0.31 -0.73 117.35 127.75 2kpn s TYR 65 Ca 0.05 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 2kpn s TYR 65 Cb -0.14 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 2kpn s TYR 65 CO -0.03 -0.31 -0.18 0.99 -1.11 0.00 0.00 175.55 174.91 2kpn s THR 66 N 1.64 1.79 0.08 -0.71 2.01 -0.77 -0.99 115.64 118.69 2kpn s THR 66 Ca 0.07 -0.80 0.10 0.00 0.31 0.00 0.00 61.69 61.36 2kpn s THR 66 Cb -0.15 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 2kpn s THR 66 CO 0.05 0.50 -0.25 0.54 -0.69 0.00 0.00 174.62 174.77 2kpn s VAL 67 N 1.07 2.34 -0.12 3.82 0.11 -0.08 -0.80 120.40 126.73 2kpn s VAL 67 Ca -0.03 -1.52 -0.02 0.00 -2.93 0.00 0.00 61.98 57.49 2kpn s VAL 67 Cb -0.14 -1.99 -0.03 0.00 -1.53 0.00 0.00 36.38 32.69 2kpn s VAL 67 CO -0.05 0.23 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.00 2kpn s THR 68 N -0.95 3.71 0.60 5.04 2.01 -1.25 -1.28 115.64 123.51 2kpn s THR 68 Ca 0.14 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.54 2kpn s THR 68 Cb -0.10 -2.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.80 2kpn s THR 68 CO 0.05 0.54 1.06 -0.62 -0.69 0.00 0.00 174.62 174.96 2kpn s ASP 69 N -0.07 5.70 0.54 3.53 2.15 0.45 -4.92 116.67 124.06 2kpn s ASP 69 Ca 0.01 1.84 0.22 0.00 0.43 0.00 0.00 52.55 55.05 2kpn s ASP 69 Cb -0.13 -2.54 1.44 0.00 -0.30 0.00 0.00 42.92 41.39 2kpn s ASP 69 CO 0.03 -1.22 2.12 -1.28 -0.17 0.00 0.00 175.17 174.65 2kpn h SER 70 N 0.40 0.00 0.54 -0.34 0.87 -1.96 0.36 113.55 113.42 2kpn h SER 70 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2kpn h SER 70 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2kpn h SER 70 CO 0.57 0.00 -0.57 0.29 -0.53 0.00 0.00 176.83 176.59 2kpn n LYS 71 N -4.28 0.06 0.00 2.24 4.76 -1.26 -4.96 118.16 114.72 2kpn n LYS 71 Ca 0.01 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2kpn n LYS 71 Cb 0.25 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2kpn n LYS 71 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kpn n GLY 72 N 1.47 0.82 3.58 0.72 0.00 0.12 -5.07 105.19 106.83 2kpn n GLY 72 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 1.73 -0.21 1.61 3.76 -1.26 -4.62 115.29 114.30 2kpn s HIS 73 Ca 0.00 0.75 -0.14 0.00 -0.15 0.00 0.00 55.06 55.52 2kpn s HIS 73 Cb 0.00 -4.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.56 2kpn s HIS 73 CO 0.00 -2.63 0.31 -2.00 -0.85 0.00 0.00 174.74 169.58 2kpn s GLU 74 N 6.35 4.15 0.18 1.40 2.12 -1.26 -0.41 118.70 131.24 2kpn s GLU 74 Ca 0.75 0.04 0.07 0.00 0.36 0.00 0.00 54.97 56.20 2kpn s GLU 74 Cb -0.18 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 2kpn s GLU 74 CO 0.28 0.03 -0.15 0.14 -0.54 0.00 0.00 175.26 175.02 2kpn s VAL 75 N 1.12 1.65 0.01 3.70 -7.23 -0.41 -4.99 120.40 114.24 2kpn s VAL 75 Ca 0.15 -2.06 -0.05 0.00 -1.81 0.00 0.00 61.98 58.21 2kpn s VAL 75 Cb -0.14 -1.91 -0.00 0.00 0.56 0.00 0.00 36.38 34.89 2kpn s VAL 75 CO 0.06 -0.52 0.10 0.28 -0.31 0.00 0.00 175.10 174.71 2kpn s THR 76 N -2.66 0.09 0.04 5.32 -1.32 -1.26 -0.90 115.64 114.94 2kpn s THR 76 Ca 0.18 -0.73 -0.12 0.00 -1.21 0.00 0.00 61.69 59.81 2kpn s THR 76 Cb -0.02 -0.39 0.01 0.00 -1.51 0.00 0.00 72.50 70.59 2kpn s THR 76 CO 0.06 -0.40 0.25 0.00 -2.21 0.00 0.00 174.62 172.32 2kpn s ALA 77 N -1.38 -0.53 0.20 11.08 0.00 -0.16 -5.01 121.76 125.96 2kpn s ALA 77 Ca -0.15 -0.12 0.11 0.00 0.00 0.00 0.00 51.96 51.81 2kpn s ALA 77 Cb -0.08 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.28 2kpn s ALA 77 CO 0.01 -0.38 -0.23 0.15 0.00 0.00 0.00 175.76 175.31 2kpn s LYS 78 N -2.50 1.55 -0.05 0.00 1.02 -1.26 -0.53 119.74 117.97 2kpn s LYS 78 Ca -0.05 -1.55 -0.01 0.00 0.02 0.00 0.00 55.97 54.38 2kpn s LYS 78 Cb -0.01 -1.84 0.03 0.00 -0.52 0.00 0.00 37.83 35.48 2kpn s LYS 78 CO -0.03 0.39 0.00 -1.14 -0.92 0.00 0.00 175.35 173.65 2kpn s GLN 79 N -2.77 0.45 -0.50 1.68 0.74 0.44 -4.45 119.66 115.25 2kpn s GLN 79 Ca 0.22 0.11 -0.19 0.00 0.05 0.00 0.00 55.36 55.55 2kpn s GLN 79 Cb -0.08 -0.75 0.06 0.00 1.10 0.00 0.00 33.01 33.34 2kpn s GLN 79 CO 0.10 -0.23 0.63 0.99 -0.55 0.00 0.00 175.29 176.24 2kpn s THR 80 N 1.58 4.86 -0.04 -0.34 2.01 -0.09 -0.86 115.64 122.77 2kpn s THR 80 Ca -0.01 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.45 2kpn s THR 80 Cb -0.13 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.04 2kpn s THR 80 CO -0.03 -0.80 0.28 -0.69 -0.69 0.00 0.00 174.62 172.69 2kpn s VAL 81 N 2.67 5.27 -0.10 3.82 1.01 -0.03 -2.68 120.40 130.36 2kpn s VAL 81 Ca 0.16 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2kpn s VAL 81 Cb -0.19 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.65 2kpn s VAL 81 CO 0.12 0.53 -0.10 -0.89 0.00 0.00 0.00 175.10 174.77 2kpn s THR 82 N -1.13 1.12 -0.22 3.92 2.01 -0.24 -0.02 115.64 121.08 2kpn s THR 82 Ca 0.22 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.69 2kpn s THR 82 Cb -0.14 -1.09 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2kpn s THR 82 CO 0.11 0.38 0.35 -0.69 -0.69 0.00 0.00 174.62 174.07 2kpn s VAL 83 N 1.38 5.23 0.10 3.82 1.01 0.26 -1.35 120.40 130.84 2kpn s VAL 83 Ca -0.01 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2kpn s VAL 83 Cb -0.14 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2kpn s VAL 83 CO -0.05 0.26 0.16 -0.54 0.00 0.00 0.00 175.10 174.93 2kpn s LYS 84 N 1.36 3.15 0.44 2.72 1.02 0.12 -1.77 119.74 126.78 2kpn s LYS 84 Ca 0.16 -0.63 -0.22 0.00 0.02 0.00 0.00 55.97 55.30 2kpn s LYS 84 Cb -0.15 -2.85 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 2kpn s LYS 84 CO 0.07 0.56 1.06 0.08 -0.92 0.00 0.00 175.35 176.20 2kpn s VAL 85 N -1.55 3.68 0.00 3.17 1.01 -1.26 -0.44 120.40 125.01 2kpn s VAL 85 Ca 0.32 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.48 2kpn s VAL 85 Cb -0.12 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2kpn s VAL 85 CO 0.25 -0.09 0.00 -2.11 0.00 0.00 0.00 175.10 173.15 2kpn n ARG 86 N -0.48 0.00 -3.62 2.72 1.85 -1.26 -4.84 116.66 111.03 2kpn n ARG 86 Ca 0.07 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.63 2kpn n ARG 86 Cb 0.51 -0.35 -0.15 0.00 -1.05 0.00 0.00 32.46 31.42 2kpn n ARG 86 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2kpn s GLU 87 N -1.00 0.43 -0.11 2.89 0.41 -1.26 -4.98 118.70 115.08 2kpn s GLU 87 Ca 0.00 -0.79 0.07 0.00 -0.41 0.00 0.00 54.97 53.84 2kpn s GLU 87 Cb 0.00 -1.53 0.41 0.00 -1.78 0.00 0.00 34.13 31.23 2kpn s GLU 87 CO 0.00 -1.01 1.13 0.39 -0.49 0.00 0.00 175.26 175.28 2kpn n GLU 88 N 5.04 2.91 -1.91 1.61 -0.58 -1.26 -4.94 120.64 121.51 2kpn n GLU 88 Ca -0.04 -1.56 -0.29 0.00 -0.42 0.00 0.00 57.16 54.84 2kpn n GLU 88 Cb 0.42 -1.86 0.07 0.00 -0.57 0.00 0.00 31.44 29.50 2kpn n GLU 88 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2kpn s VAL 89 N -1.86 2.51 -0.22 2.62 -7.23 -1.26 -5.09 120.40 109.87 2kpn s VAL 89 Ca 0.27 0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 60.57 2kpn s VAL 89 Cb 0.20 -3.16 0.07 0.00 0.56 0.00 0.00 36.38 34.05 2kpn s VAL 89 CO 0.08 -0.21 0.03 -1.59 -0.31 0.00 0.00 175.10 173.10 2kpn s LYS 90 N -5.49 0.88 -0.09 4.82 -2.85 -1.26 -5.11 119.74 110.64 2kpn s LYS 90 Ca 0.61 -0.65 -0.30 0.00 -1.00 0.00 0.00 55.97 54.63 2kpn s LYS 90 Cb -0.11 -2.20 -0.04 0.00 -2.06 0.00 0.00 37.83 33.42 2kpn s LYS 90 CO 0.50 -0.69 1.52 -0.80 0.10 0.00 0.00 175.35 175.98 2kpn s ASN 91 N 1.72 6.76 -1.13 0.03 0.02 -1.26 -4.90 114.94 116.18 2kpn s ASN 91 Ca -0.00 2.06 -0.21 0.00 -1.02 0.00 0.00 52.86 53.68 2kpn s ASN 91 Cb -0.18 -2.54 -0.07 0.00 0.02 0.00 0.00 41.25 38.49 2kpn s ASN 91 CO -0.10 -0.87 1.91 -0.67 0.02 0.00 0.00 177.10 177.39 2kpn n ASP 92 N 6.90 3.29 -2.97 -1.22 -0.08 -1.26 -4.61 116.55 116.61 2kpn n ASP 92 Ca 0.16 -2.73 0.03 0.00 -1.51 0.00 0.00 54.79 50.74 2kpn n ASP 92 Cb 0.43 -1.62 0.00 0.00 2.34 0.00 0.00 41.12 42.28 2kpn n ASP 92 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2kpn s LYS 93 N 5.71 0.25 0.14 -0.67 2.20 -1.26 -5.16 119.74 120.95 2kpn s LYS 93 Ca 0.63 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.97 2kpn s LYS 93 Cb 0.04 0.06 -0.07 0.00 -1.51 0.00 0.00 37.83 36.34 2kpn s LYS 93 CO 0.12 -0.40 1.13 -1.25 -0.36 0.00 0.00 175.35 174.58 2kpn s PRO 94 N 2.36 4.54 -0.25 4.03 0.04 -1.26 -4.96 135.00 139.49 2kpn s PRO 94 Ca 0.19 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 2kpn s PRO 94 Cb -0.00 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 2kpn s PRO 94 CO -0.18 -0.03 2.16 0.42 0.04 0.00 0.00 177.00 179.42 2kpn s ILE 95 N 0.18 3.08 -0.29 0.56 1.09 -1.26 -4.89 121.20 119.67 2kpn s ILE 95 Ca 0.52 0.08 -0.29 0.00 -1.10 0.00 0.00 60.65 59.87 2kpn s ILE 95 Cb -0.29 -3.11 -0.02 0.00 -1.06 0.00 0.00 42.46 37.98 2kpn s ILE 95 CO 0.33 -0.07 1.71 -0.76 -0.10 0.00 0.00 174.94 176.05 2kpn s LEU 96 N 8.30 3.67 0.00 2.97 1.43 -1.26 -5.35 118.68 128.44 2kpn s LEU 96 Ca 0.97 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 2kpn s LEU 96 Cb -0.31 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.39 2kpn s LEU 96 CO 0.34 -1.51 0.00 -0.62 0.23 0.00 0.00 176.35 174.79