#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 -0.49 3.18 3.03 0.00 -1.26 -5.17 105.19 104.49 2kpn n GLY 2 Ca 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 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 1.46 -0.07 1.61 0.01 -1.26 -5.16 114.94 111.53 2kpn s ASN 3 Ca 0.00 -0.83 0.04 0.00 -0.71 0.00 0.00 52.86 51.36 2kpn s ASN 3 Cb 0.00 0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.66 2kpn s ASN 3 CO 0.00 -0.28 -0.20 -0.83 -1.51 0.00 0.00 177.10 174.28 2kpn s GLY 4 N -2.52 1.40 -1.10 0.66 0.00 -1.26 -5.05 107.32 99.46 2kpn s GLY 4 Ca 0.06 -1.00 -0.23 0.00 0.00 0.00 0.00 44.72 43.56 2kpn s GLY 4 CO -0.00 -0.57 1.92 -0.54 0.00 0.00 0.00 173.10 173.91 2kpn s GLU 5 N -0.17 2.59 -0.10 2.90 2.02 -1.26 -4.94 118.70 119.74 2kpn s GLU 5 Ca -0.02 -0.92 -0.17 0.00 0.02 0.00 0.00 54.97 53.87 2kpn s GLU 5 Cb -0.14 -5.20 -0.05 0.00 0.10 0.00 0.00 34.13 28.85 2kpn s GLU 5 CO 0.04 -3.70 0.44 0.95 0.02 0.00 0.00 175.26 173.01 2kpn s THR 6 N 10.37 5.17 -0.74 3.63 -4.23 -1.26 -5.01 115.64 123.58 2kpn s THR 6 Ca 0.68 0.89 -0.26 0.00 -1.18 0.00 0.00 61.69 61.82 2kpn s THR 6 Cb -0.02 -3.78 -0.07 0.00 1.34 0.00 0.00 72.50 69.97 2kpn s THR 6 CO 0.08 0.37 2.13 -0.44 -0.54 0.00 0.00 174.62 176.22 2kpn s SER 7 N 0.33 4.72 -0.05 3.99 0.01 -1.26 -4.94 113.70 116.51 2kpn s SER 7 Ca 0.24 0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.25 2kpn s SER 7 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2kpn s SER 7 CO 0.10 -2.98 1.29 -0.62 0.41 0.00 0.00 173.24 171.44 2kpn s ASP 8 N 9.50 6.96 0.14 2.44 -1.08 -1.26 -5.01 116.67 128.36 2kpn s ASP 8 Ca 0.80 1.92 -0.29 0.00 -0.52 0.00 0.00 52.55 54.46 2kpn s ASP 8 Cb -0.11 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.72 2kpn s ASP 8 CO 0.11 -0.66 0.92 -0.76 0.52 0.00 0.00 175.17 175.30 2kpn s LEU 9 N 2.46 4.54 0.32 -1.34 1.43 -1.26 -5.04 118.68 119.80 2kpn s LEU 9 Ca 0.59 1.79 -0.28 0.00 -1.03 0.00 0.00 54.13 55.20 2kpn s LEU 9 Cb -0.27 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.32 2kpn s LEU 9 CO 0.23 0.03 1.21 -1.83 0.23 0.00 0.00 176.35 176.21 2kpn s GLU 10 N -0.42 4.41 0.28 1.70 1.03 -1.26 -4.67 118.70 119.76 2kpn s GLU 10 Ca 0.44 2.00 -0.30 0.00 0.03 0.00 0.00 54.97 57.14 2kpn s GLU 10 Cb -0.24 -3.05 -0.13 0.00 -0.80 0.00 0.00 34.13 29.92 2kpn s GLU 10 CO 0.30 -0.06 1.45 -0.35 -1.33 0.00 0.00 175.26 175.27 2kpn n PRO 11 N 0.82 2.28 -2.69 -4.83 -0.04 -1.26 -4.92 135.00 124.36 2kpn n PRO 11 Ca 0.00 0.81 -0.42 0.00 -0.04 0.00 0.00 63.50 63.85 2kpn n PRO 11 Cb 0.44 -2.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 2kpn n PRO 11 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kpn s LYS 12 N -0.75 3.39 -0.14 0.54 2.47 0.54 -4.85 119.74 120.94 2kpn s LYS 12 Ca 0.64 -0.05 -0.18 0.00 -1.56 0.00 0.00 55.97 54.82 2kpn s LYS 12 Cb -0.58 -4.06 -0.04 0.00 -1.46 0.00 0.00 37.83 31.69 2kpn s LYS 12 CO 0.52 -1.66 0.49 -1.17 0.16 0.00 0.00 175.35 173.69 2kpn s LEU 13 N 4.61 4.24 -0.30 5.43 2.96 -1.26 -1.19 118.68 133.17 2kpn s LEU 13 Ca 0.36 0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 55.03 2kpn s LEU 13 Cb -0.10 -2.71 0.04 0.00 0.50 0.00 0.00 46.19 43.93 2kpn s LEU 13 CO 0.21 -0.05 0.01 -0.89 -1.32 0.00 0.00 176.35 174.31 2kpn s THR 14 N 0.91 3.10 -0.03 3.68 2.01 0.24 -5.00 115.64 120.55 2kpn s THR 14 Ca 0.26 -1.29 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2kpn s THR 14 Cb -0.15 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.63 2kpn s THR 14 CO 0.10 -0.07 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.23 2kpn s VAL 15 N 1.29 0.47 -0.11 3.82 1.01 -1.26 -2.29 120.40 123.33 2kpn s VAL 15 Ca -0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2kpn s VAL 15 Cb -0.19 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2kpn s VAL 15 CO -0.01 0.19 1.32 -2.16 0.00 0.00 0.00 175.10 174.44 2kpn s PRO 16 N 0.69 4.26 0.50 2.72 0.04 -1.26 -4.92 135.00 137.02 2kpn s PRO 16 Ca -0.09 1.77 0.23 0.00 0.04 0.00 0.00 61.00 62.96 2kpn s PRO 16 Cb -0.12 -3.73 1.33 0.00 0.04 0.00 0.00 34.50 32.02 2kpn s PRO 16 CO -0.00 -0.65 2.06 -0.24 0.04 0.00 0.00 177.00 178.20 2kpn h VAL 17 N 5.33 0.75 -2.95 -0.36 3.04 -1.96 -3.38 116.25 116.72 2kpn h VAL 17 Ca -0.31 -0.54 -0.15 0.00 -1.01 0.00 0.00 66.70 64.70 2kpn h VAL 17 Cb 1.13 1.32 -0.25 0.00 -2.01 0.00 0.00 31.29 31.49 2kpn h VAL 17 CO 0.94 0.13 -0.34 -0.83 -1.01 0.00 0.00 177.57 176.46 2kpn s GLY 18 N -4.19 -0.24 0.04 3.17 0.00 -1.26 -0.93 107.32 103.91 2kpn s GLY 18 Ca -0.03 0.93 0.01 0.00 0.00 0.00 0.00 44.72 45.63 2kpn s GLY 18 CO 0.62 0.83 -0.06 0.00 0.00 0.00 0.00 173.10 174.48 2kpn s ALA 19 N 0.25 0.48 -0.06 3.20 0.00 0.38 -4.90 121.76 121.11 2kpn s ALA 19 Ca -0.01 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2kpn s ALA 19 Cb -0.03 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.22 2kpn s ALA 19 CO -0.00 -0.10 0.05 0.99 0.00 0.00 0.00 175.76 176.70 2kpn s THR 20 N -1.75 0.02 0.38 0.00 2.01 -1.26 -0.33 115.64 114.71 2kpn s THR 20 Ca -0.09 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.25 2kpn s THR 20 Cb -0.08 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.12 2kpn s THR 20 CO -0.01 0.16 0.13 0.27 -0.69 0.00 0.00 174.62 174.48 2kpn s ILE 21 N 2.12 0.60 0.32 1.82 -4.36 -0.69 -4.97 121.20 116.04 2kpn s ILE 21 Ca 0.05 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.52 2kpn s ILE 21 Cb -0.12 -2.43 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2kpn s ILE 21 CO -0.04 0.00 0.18 -1.00 0.24 0.00 0.00 174.94 174.32 2kpn s HIS 22 N -3.29 2.83 -0.12 1.37 3.76 -1.26 -1.06 115.29 117.52 2kpn s HIS 22 Ca 0.28 -0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.60 2kpn s HIS 22 Cb 0.04 -1.60 -0.06 0.00 1.11 0.00 0.00 32.58 32.07 2kpn s HIS 22 CO 0.16 0.35 1.91 0.08 -0.85 0.00 0.00 174.74 176.38 2kpn s VAL 23 N -2.33 3.26 0.00 -0.90 1.01 0.42 -1.62 120.40 120.23 2kpn s VAL 23 Ca 0.37 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2kpn s VAL 23 Cb -0.05 -3.26 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2kpn s VAL 23 CO 0.24 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.85 2kpn n GLY 24 N 4.88 0.53 3.90 4.51 0.00 0.15 -4.74 105.19 114.43 2kpn n GLY 24 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.95 6.37 0.29 1.61 2.15 -0.64 -5.07 116.67 118.43 2kpn s ASP 25 Ca 0.00 0.89 -0.23 0.00 0.43 0.00 0.00 52.55 53.64 2kpn s ASP 25 Cb 0.00 -2.22 -0.09 0.00 -0.30 0.00 0.00 42.92 40.30 2kpn s ASP 25 CO 0.00 -0.42 0.85 -0.94 -0.17 0.00 0.00 175.17 174.49 2kpn s SER 26 N -3.65 7.20 -0.19 -0.34 1.04 -1.26 -4.90 113.70 111.59 2kpn s SER 26 Ca 0.47 1.65 -0.04 0.00 0.48 0.00 0.00 55.95 58.51 2kpn s SER 26 Cb -0.10 -2.51 0.10 0.00 0.10 0.00 0.00 66.02 63.61 2kpn s SER 26 CO 0.37 -0.05 0.31 0.12 0.98 0.00 0.00 173.24 174.98 2kpn s PHE 27 N -1.62 -0.57 -0.38 5.02 5.36 -1.26 -5.02 117.98 119.51 2kpn s PHE 27 Ca 0.48 0.81 0.00 0.00 -0.96 0.00 0.00 56.93 57.26 2kpn s PHE 27 Cb -0.17 -0.06 0.11 0.00 -0.34 0.00 0.00 43.02 42.56 2kpn s PHE 27 CO 0.22 -0.56 0.14 0.08 -1.46 0.00 0.00 175.22 173.64 2kpn s VAL 28 N 2.46 2.84 0.33 3.12 1.01 -1.26 -5.00 120.40 123.91 2kpn s VAL 28 Ca 0.06 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 59.84 2kpn s VAL 28 Cb -0.14 -3.01 0.26 0.00 0.00 0.00 0.00 36.38 33.50 2kpn s VAL 28 CO -0.12 -0.65 1.99 1.55 0.00 0.00 0.00 175.10 177.86 2kpn h PRO 29 N 7.83 0.95 0.00 2.72 0.13 -2.00 -2.27 132.00 139.37 2kpn h PRO 29 Ca -0.09 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2kpn h PRO 29 Cb 1.03 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2kpn h PRO 29 CO 0.62 0.63 0.00 -1.33 -0.23 0.00 0.00 178.00 177.69 2kpn n MET 30 N -4.43 0.68 -0.08 0.86 2.81 -1.26 -2.50 117.12 113.20 2kpn n MET 30 Ca 0.08 0.01 -0.12 0.00 -1.81 0.00 0.00 57.70 55.86 2kpn n MET 30 Cb 0.04 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 30.90 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 -1.15 1.45 1.06 3.04 0.00 -0.86 -4.47 120.51 119.59 2kpn n ALA 31 Ca 0.18 -1.13 0.12 0.00 0.00 0.00 0.00 53.44 52.61 2kpn n ALA 31 Cb 0.17 -0.35 0.11 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 -2.94 1.65 -4.50 0.00 1.02 -1.17 -4.87 120.64 109.84 2kpn n GLU 32 Ca -0.31 -1.32 -0.30 0.00 -0.02 0.00 0.00 57.16 55.21 2kpn n GLU 32 Cb 1.10 -1.47 -0.17 0.00 -0.02 0.00 0.00 31.44 30.88 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 -2.26 1.71 0.27 2.62 1.01 -1.04 -4.58 120.40 118.12 2kpn s VAL 33 Ca 0.24 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.54 2kpn s VAL 33 Cb 0.19 -1.54 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 2kpn s VAL 33 CO 0.44 0.48 -0.12 -0.76 0.00 0.00 0.00 175.10 175.14 2kpn s LEU 34 N 0.97 2.56 -0.16 3.92 2.01 -0.97 -4.81 118.68 122.20 2kpn s LEU 34 Ca -0.06 -1.10 -0.06 0.00 0.01 0.00 0.00 54.13 52.92 2kpn s LEU 34 Cb -0.15 -0.80 0.07 0.00 0.01 0.00 0.00 46.19 45.32 2kpn s LEU 34 CO -0.02 -0.19 0.34 0.00 1.01 0.00 0.00 176.35 177.48 2kpn s ALA 35 N -2.83 -0.84 -0.07 4.21 0.00 -1.26 -0.59 121.76 120.38 2kpn s ALA 35 Ca 0.28 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.48 2kpn s ALA 35 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 22.03 2kpn s ALA 35 CO 0.12 -0.62 -0.14 0.42 0.00 0.00 0.00 175.76 175.54 2kpn s ILE 36 N 2.33 1.26 0.04 0.00 -1.09 -0.33 -0.76 121.20 122.64 2kpn s ILE 36 Ca -0.02 -0.55 0.07 0.00 -2.23 0.00 0.00 60.65 57.92 2kpn s ILE 36 Cb -0.12 -1.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.59 2kpn s ILE 36 CO -0.11 0.38 -0.17 -0.62 -1.23 0.00 0.00 174.94 173.19 2kpn s ASP 37 N 0.62 3.86 0.02 3.58 2.15 0.29 -0.34 116.67 126.85 2kpn s ASP 37 Ca -0.15 -0.41 -0.20 0.00 0.43 0.00 0.00 52.55 52.21 2kpn s ASP 37 Cb -0.16 -0.64 -0.18 0.00 -0.30 0.00 0.00 42.92 41.64 2kpn s ASP 37 CO 0.04 0.25 1.23 0.50 -0.17 0.00 0.00 175.17 177.02 2kpn h LYS 38 N 4.51 0.37 0.01 4.34 3.64 -1.83 -2.67 116.57 124.94 2kpn h LYS 38 Ca -0.48 -0.28 -0.10 0.00 -1.27 0.00 0.00 60.65 58.53 2kpn h LYS 38 Cb 1.16 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2kpn h LYS 38 CO 0.48 0.90 -0.51 0.93 -2.27 0.00 0.00 179.45 178.97 2kpn h GLU 39 N -0.08 0.03 0.08 1.90 3.07 -1.97 -3.38 114.58 114.22 2kpn h GLU 39 Ca -0.01 -0.04 -0.27 0.00 -0.50 0.00 0.00 59.36 58.53 2kpn h GLU 39 Cb 0.93 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2kpn h GLU 39 CO 0.07 1.02 -1.36 0.22 -1.40 0.00 0.00 179.01 177.56 2kpn h ASP 40 N -0.94 0.26 0.00 1.42 3.58 -1.96 -3.50 116.42 115.28 2kpn h ASP 40 Ca -0.13 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2kpn h ASP 40 Cb 1.17 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2kpn h ASP 40 CO -0.06 1.27 0.00 0.61 -2.88 0.00 0.00 179.24 178.18 2kpn n GLY 41 N 1.55 0.20 3.65 -0.78 0.00 -1.01 -4.99 105.19 103.82 2kpn n GLY 41 Ca -0.11 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 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 6.71 -0.06 1.61 -1.08 -1.26 -0.54 116.67 118.05 2kpn s ASP 42 Ca 0.00 1.90 0.14 0.00 -0.52 0.00 0.00 52.55 54.07 2kpn s ASP 42 Cb 0.00 -2.53 0.43 0.00 -1.46 0.00 0.00 42.92 39.36 2kpn s ASP 42 CO 0.00 -0.93 1.36 0.18 0.52 0.00 0.00 175.17 176.30 2kpn n LEU 43 N 7.20 3.46 -0.32 -1.34 4.77 0.06 -4.64 117.00 126.19 2kpn n LEU 43 Ca 0.16 -2.34 0.04 0.00 -0.03 0.00 0.00 56.01 53.84 2kpn n LEU 43 Cb 0.44 -0.37 0.23 0.00 -2.33 0.00 0.00 43.42 41.38 2kpn n LEU 43 CO 0.61 0.74 1.25 0.74 -1.33 0.00 0.00 177.39 179.39 2kpn h THR 44 N 2.30 1.07 0.00 -5.08 2.02 -1.70 0.06 112.91 111.58 2kpn h THR 44 Ca 0.00 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 2kpn h THR 44 Cb 1.03 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.35 2kpn h THR 44 CO 0.09 0.19 -0.13 0.28 0.37 0.00 0.00 175.52 176.32 2kpn h SER 45 N 1.06 0.00 0.48 4.18 0.02 -1.89 -2.69 113.55 114.71 2kpn h SER 45 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2kpn h SER 45 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2kpn h SER 45 CO -0.15 0.13 -0.15 0.29 -1.14 0.00 0.00 176.83 175.80 2kpn n LYS 46 N -3.51 0.47 -1.86 3.45 5.02 -0.00 -4.89 118.16 116.85 2kpn n LYS 46 Ca -0.01 -0.17 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 2kpn n LYS 46 Cb 0.28 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 2kpn n LYS 46 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kpn s ILE 47 N -2.64 3.05 -0.29 -0.18 1.01 -1.02 -4.60 121.20 116.52 2kpn s ILE 47 Ca 0.24 0.36 -0.21 0.00 0.00 0.00 0.00 60.65 61.03 2kpn s ILE 47 Cb 0.19 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.42 2kpn s ILE 47 CO 0.52 -0.01 0.69 -0.75 0.00 0.00 0.00 174.94 175.39 2kpn s LYS 48 N 3.26 3.97 -0.44 2.79 2.47 0.52 -4.90 119.74 127.41 2kpn s LYS 48 Ca 0.78 0.47 -0.12 0.00 -1.56 0.00 0.00 55.97 55.53 2kpn s LYS 48 Cb -0.40 -3.71 0.07 0.00 -1.46 0.00 0.00 37.83 32.33 2kpn s LYS 48 CO 0.34 -0.57 0.31 0.08 0.16 0.00 0.00 175.35 175.67 2kpn s VAL 49 N 2.71 4.76 0.06 4.02 1.01 -1.26 -1.78 120.40 129.92 2kpn s VAL 49 Ca 0.28 -1.15 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2kpn s VAL 49 Cb -0.15 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2kpn s VAL 49 CO 0.11 -0.49 0.00 -0.62 0.00 0.00 0.00 175.10 174.10 2kpn s ASP 50 N 2.24 5.09 0.00 3.32 2.15 0.23 -4.95 116.67 124.74 2kpn s ASP 50 Ca 0.03 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.91 2kpn s ASP 50 Cb -0.23 -1.26 0.00 0.00 -0.30 0.00 0.00 42.92 41.13 2kpn s ASP 50 CO 0.05 0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.87 2kpn n GLY 51 N 0.87 0.49 3.24 2.66 0.00 -1.26 -0.74 105.19 110.44 2kpn n GLY 51 Ca -0.12 -2.11 -0.12 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.09 0.38 -0.22 1.61 2.56 -1.26 -4.98 118.70 115.70 2kpn s GLU 52 Ca 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 54.97 55.58 2kpn s GLU 52 Cb 0.00 0.05 -0.01 0.00 2.00 0.00 0.00 34.13 36.17 2kpn s GLU 52 CO 0.00 -0.12 -0.04 0.08 -0.56 0.00 0.00 175.26 174.63 2kpn s VAL 53 N 0.93 3.47 -0.11 3.70 1.01 -1.26 -4.74 120.40 123.38 2kpn s VAL 53 Ca -0.06 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 2kpn s VAL 53 Cb -0.06 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2kpn s VAL 53 CO -0.07 0.42 0.16 -0.62 0.00 0.00 0.00 175.10 175.00 2kpn s ASP 54 N 1.40 6.42 -0.06 3.32 2.15 -1.26 -5.01 116.67 123.63 2kpn s ASP 54 Ca 0.05 0.50 0.12 0.00 0.43 0.00 0.00 52.55 53.65 2kpn s ASP 54 Cb -0.14 -2.09 0.37 0.00 -0.30 0.00 0.00 42.92 40.75 2kpn s ASP 54 CO -0.02 0.39 1.30 0.35 -0.17 0.00 0.00 175.17 177.01 2kpn n THR 55 N 2.07 1.43 -0.06 1.71 -2.24 -1.26 -4.46 114.28 111.47 2kpn n THR 55 Ca -0.19 -1.31 -0.03 0.00 -2.27 0.00 0.00 64.05 60.26 2kpn n THR 55 Cb 0.55 0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.11 0.80 -5.02 4.28 -2.24 -1.26 0.32 114.28 111.27 2kpn n THR 56 Ca 0.14 -0.64 -0.32 0.00 -2.27 0.00 0.00 64.05 60.96 2kpn n THR 56 Cb 0.57 -0.33 -0.15 0.00 -2.10 0.00 0.00 70.33 68.33 2kpn n THR 56 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2kpn s LYS 57 N -2.73 2.71 0.22 -0.78 3.01 -1.26 -4.94 119.74 115.97 2kpn s LYS 57 Ca -0.08 -0.78 -0.30 0.00 -1.01 0.00 0.00 55.97 53.80 2kpn s LYS 57 Cb 0.08 -2.34 -0.08 0.00 -1.01 0.00 0.00 37.83 34.47 2kpn s LYS 57 CO 0.75 0.44 1.10 0.00 0.51 0.00 0.00 175.35 178.15 2kpn s ALA 58 N -0.26 3.39 0.00 5.17 0.00 -1.26 -4.87 121.76 123.93 2kpn s ALA 58 Ca 0.01 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2kpn s ALA 58 Cb -0.13 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kpn s ALA 58 CO 0.03 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.01 2kpn n GLY 59 N 1.70 -2.85 3.65 0.00 0.00 0.09 -4.97 105.19 102.82 2kpn n GLY 59 Ca 0.01 -1.32 -0.35 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.03 4.85 -0.09 2.61 2.01 -1.26 -0.27 115.64 121.46 2kpn s THR 60 Ca 0.00 -0.01 0.01 0.00 0.31 0.00 0.00 61.69 62.00 2kpn s THR 60 Cb 0.00 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.35 2kpn s THR 60 CO 0.00 0.47 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.99 2kpn s TYR 61 N 0.26 1.47 -0.25 4.92 2.02 0.89 -4.99 117.35 121.66 2kpn s TYR 61 Ca 0.04 -0.64 -0.09 0.00 -0.37 0.00 0.00 57.07 56.01 2kpn s TYR 61 Cb -0.12 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.25 2kpn s TYR 61 CO 0.00 -0.40 0.13 0.08 -1.57 0.00 0.00 175.55 173.80 2kpn s VAL 62 N 1.17 4.93 -0.04 0.71 1.01 -1.26 -1.08 120.40 125.85 2kpn s VAL 62 Ca -0.05 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.93 2kpn s VAL 62 Cb -0.14 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2kpn s VAL 62 CO -0.02 0.32 0.17 -0.76 0.00 0.00 0.00 175.10 174.81 2kpn s LEU 63 N 1.46 4.38 -0.10 3.92 1.43 -0.14 -4.59 118.68 125.04 2kpn s LEU 63 Ca 0.06 0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 2kpn s LEU 63 Cb -0.15 -2.47 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2kpn s LEU 63 CO 0.07 0.30 -0.12 -0.89 0.23 0.00 0.00 176.35 175.93 2kpn s THR 64 N -1.24 3.16 -0.20 5.49 2.01 0.08 -0.55 115.64 124.39 2kpn s THR 64 Ca 0.24 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.60 2kpn s THR 64 Cb -0.12 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.13 2kpn s THR 64 CO 0.15 0.55 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.23 2kpn s TYR 65 N -0.13 2.28 -0.12 4.92 2.02 0.62 -0.60 117.35 126.35 2kpn s TYR 65 Ca -0.01 -1.51 0.03 0.00 -0.37 0.00 0.00 57.07 55.21 2kpn s TYR 65 Cb -0.14 -1.57 0.01 0.00 -0.40 0.00 0.00 41.96 39.86 2kpn s TYR 65 CO 0.03 -0.72 -0.21 0.99 -1.57 0.00 0.00 175.55 174.07 2kpn s THR 66 N 1.44 1.90 -0.02 -0.71 2.01 -0.73 -0.98 115.64 118.54 2kpn s THR 66 Ca -0.01 -0.90 0.04 0.00 0.31 0.00 0.00 61.69 61.13 2kpn s THR 66 Cb -0.16 -1.67 -0.00 0.00 0.01 0.00 0.00 72.50 70.67 2kpn s THR 66 CO -0.08 0.52 -0.13 0.54 -0.69 0.00 0.00 174.62 174.78 2kpn s VAL 67 N 0.68 1.08 -0.06 3.82 0.11 -0.37 -0.36 120.40 125.29 2kpn s VAL 67 Ca -0.11 -0.55 0.06 0.00 -2.93 0.00 0.00 61.98 58.45 2kpn s VAL 67 Cb -0.16 -0.92 -0.01 0.00 -1.53 0.00 0.00 36.38 33.76 2kpn s VAL 67 CO 0.02 0.31 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.97 2kpn s THR 68 N -0.07 2.07 0.36 5.04 2.01 -1.26 -1.68 115.64 122.10 2kpn s THR 68 Ca 0.00 -1.06 -0.19 0.00 0.31 0.00 0.00 61.69 60.76 2kpn s THR 68 Cb -0.08 -1.75 -0.10 0.00 0.01 0.00 0.00 72.50 70.59 2kpn s THR 68 CO 0.00 0.57 0.84 -0.62 -0.69 0.00 0.00 174.62 174.73 2kpn s ASP 69 N -0.12 6.91 0.58 3.53 2.15 0.64 -4.97 116.67 125.40 2kpn s ASP 69 Ca -0.05 1.51 0.37 0.00 0.43 0.00 0.00 52.55 54.81 2kpn s ASP 69 Cb -0.14 -2.47 1.69 0.00 -0.30 0.00 0.00 42.92 41.70 2kpn s ASP 69 CO 0.04 -0.24 2.11 -1.28 -0.17 0.00 0.00 175.17 175.62 2kpn h SER 70 N 2.27 0.00 0.36 -0.34 0.87 -1.99 -1.40 113.55 113.32 2kpn h SER 70 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2kpn h SER 70 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2kpn h SER 70 CO 0.63 0.01 -0.04 0.29 -0.53 0.00 0.00 176.83 177.20 2kpn n LYS 71 N -3.13 0.67 0.00 2.24 4.01 -1.26 -4.91 118.16 115.78 2kpn n LYS 71 Ca -0.01 -0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.68 2kpn n LYS 71 Cb 0.23 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 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 1.22 0.65 3.66 0.72 0.00 -0.53 -5.08 105.19 105.84 2kpn n GLY 72 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 3.39 -0.08 1.61 3.76 -1.25 -4.87 115.29 115.85 2kpn s HIS 73 Ca 0.00 1.24 0.05 0.00 -0.15 0.00 0.00 55.06 56.20 2kpn s HIS 73 Cb 0.00 -3.04 -0.00 0.00 1.11 0.00 0.00 32.58 30.65 2kpn s HIS 73 CO 0.00 -0.29 -0.22 -2.00 -0.85 0.00 0.00 174.74 171.38 2kpn s GLU 74 N 2.36 2.61 0.07 1.40 2.12 -1.26 -0.26 118.70 125.74 2kpn s GLU 74 Ca 0.38 -0.81 0.05 0.00 0.36 0.00 0.00 54.97 54.94 2kpn s GLU 74 Cb -0.16 -2.08 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 2kpn s GLU 74 CO 0.11 0.24 -0.14 0.14 -0.54 0.00 0.00 175.26 175.07 2kpn s VAL 75 N 0.16 1.06 -0.01 3.70 -7.23 -0.68 -5.02 120.40 112.38 2kpn s VAL 75 Ca -0.12 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.71 2kpn s VAL 75 Cb -0.16 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.76 2kpn s VAL 75 CO 0.06 -0.23 0.13 0.28 -0.31 0.00 0.00 175.10 175.03 2kpn s THR 76 N -1.27 0.07 0.12 5.32 -1.32 -1.26 -1.24 115.64 116.05 2kpn s THR 76 Ca -0.03 -0.54 -0.11 0.00 -1.21 0.00 0.00 61.69 59.80 2kpn s THR 76 Cb -0.10 -0.37 0.01 0.00 -1.51 0.00 0.00 72.50 70.52 2kpn s THR 76 CO 0.02 -0.30 0.27 0.00 -2.21 0.00 0.00 174.62 172.40 2kpn s ALA 77 N -1.05 -0.36 0.26 11.08 0.00 -0.15 -5.00 121.76 126.53 2kpn s ALA 77 Ca -0.11 -0.53 0.11 0.00 0.00 0.00 0.00 51.96 51.42 2kpn s ALA 77 Cb -0.06 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 2kpn s ALA 77 CO 0.01 -0.58 -0.18 0.15 0.00 0.00 0.00 175.76 175.16 2kpn s LYS 78 N -3.87 1.58 -0.10 0.00 1.02 -1.26 -0.28 119.74 116.83 2kpn s LYS 78 Ca 0.07 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.34 2kpn s LYS 78 Cb 0.04 -1.57 0.02 0.00 -0.52 0.00 0.00 37.83 35.79 2kpn s LYS 78 CO -0.08 0.28 -0.09 -1.14 -0.92 0.00 0.00 175.35 173.40 2kpn s GLN 79 N -3.56 1.56 -0.54 1.68 0.74 0.29 -4.36 119.66 115.47 2kpn s GLN 79 Ca 0.28 -0.29 -0.19 0.00 0.05 0.00 0.00 55.36 55.21 2kpn s GLN 79 Cb -0.03 -1.55 0.07 0.00 1.10 0.00 0.00 33.01 32.60 2kpn s GLN 79 CO 0.13 -0.21 0.67 0.99 -0.55 0.00 0.00 175.29 176.32 2kpn s THR 80 N 1.49 4.83 -0.13 -0.34 2.01 -0.11 -0.97 115.64 122.42 2kpn s THR 80 Ca 0.01 -0.65 -0.12 0.00 0.31 0.00 0.00 61.69 61.23 2kpn s THR 80 Cb -0.13 -4.38 -0.05 0.00 0.01 0.00 0.00 72.50 67.95 2kpn s THR 80 CO -0.06 -0.94 0.26 -0.69 -0.69 0.00 0.00 174.62 172.50 2kpn s VAL 81 N 2.71 5.31 -0.23 3.82 1.01 -0.24 -0.47 120.40 132.31 2kpn s VAL 81 Ca 0.14 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.64 2kpn s VAL 81 Cb -0.21 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.64 2kpn s VAL 81 CO 0.10 0.47 -0.12 -0.89 0.00 0.00 0.00 175.10 174.66 2kpn s THR 82 N -0.07 2.00 -0.08 3.92 2.01 0.55 -0.08 115.64 123.89 2kpn s THR 82 Ca 0.16 -1.38 -0.16 0.00 0.31 0.00 0.00 61.69 60.62 2kpn s THR 82 Cb -0.13 -2.07 -0.05 0.00 0.01 0.00 0.00 72.50 70.26 2kpn s THR 82 CO 0.05 0.09 0.42 -0.69 -0.69 0.00 0.00 174.62 173.79 2kpn s VAL 83 N 1.21 5.15 0.22 3.82 1.01 0.62 -1.70 120.40 130.73 2kpn s VAL 83 Ca -0.05 0.84 0.06 0.00 0.00 0.00 0.00 61.98 62.83 2kpn s VAL 83 Cb -0.18 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2kpn s VAL 83 CO -0.07 0.43 -0.09 -1.59 0.00 0.00 0.00 175.10 173.78 2kpn s LYS 84 N -0.01 1.35 0.34 2.72 -2.85 -0.22 -0.73 119.74 120.34 2kpn s LYS 84 Ca 0.23 -1.64 -0.22 0.00 -1.00 0.00 0.00 55.97 53.34 2kpn s LYS 84 Cb -0.15 -0.98 -0.10 0.00 -2.06 0.00 0.00 37.83 34.54 2kpn s LYS 84 CO 0.10 0.09 0.89 0.08 0.10 0.00 0.00 175.35 176.60 2kpn s VAL 85 N -3.10 4.37 -2.37 1.79 1.01 -1.26 -0.44 120.40 120.40 2kpn s VAL 85 Ca 0.24 1.54 0.22 0.00 0.00 0.00 0.00 61.98 63.99 2kpn s VAL 85 Cb 0.02 -3.82 0.46 0.00 0.00 0.00 0.00 36.38 33.03 2kpn s VAL 85 CO 0.08 -0.02 1.55 -2.11 0.00 0.00 0.00 175.10 174.60 2kpn n ARG 86 N 0.14 1.84 -4.13 2.72 1.85 -1.26 -4.86 116.66 112.96 2kpn n ARG 86 Ca 0.03 -1.25 -0.14 0.00 -1.00 0.00 0.00 57.85 55.49 2kpn n ARG 86 Cb 0.52 -1.43 -0.06 0.00 -1.05 0.00 0.00 32.46 30.44 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 -1.80 1.66 -0.64 2.89 2.02 -1.26 -5.12 118.70 116.46 2kpn s GLU 87 Ca 0.34 -1.69 -0.22 0.00 0.02 0.00 0.00 54.97 53.42 2kpn s GLU 87 Cb 0.19 0.39 0.07 0.00 0.10 0.00 0.00 34.13 34.88 2kpn s GLU 87 CO 0.28 -0.65 0.92 -1.21 0.02 0.00 0.00 175.26 174.62 2kpn s GLU 88 N -3.54 3.11 -0.46 1.61 8.01 -1.26 -4.98 118.70 121.20 2kpn s GLU 88 Ca 0.33 -0.87 0.01 0.00 0.01 0.00 0.00 54.97 54.44 2kpn s GLU 88 Cb 0.02 -4.22 0.12 0.00 -4.31 0.00 0.00 34.13 25.74 2kpn s GLU 88 CO 0.18 -1.74 0.22 0.14 0.01 0.00 0.00 175.26 174.07 2kpn s VAL 89 N 3.82 2.94 0.87 2.63 -7.23 -1.26 -5.11 120.40 117.06 2kpn s VAL 89 Ca 0.21 -2.59 -0.12 0.00 -1.81 0.00 0.00 61.98 57.67 2kpn s VAL 89 Cb -0.18 -3.03 0.11 0.00 0.56 0.00 0.00 36.38 33.84 2kpn s VAL 89 CO 0.10 -0.73 1.10 -1.59 -0.31 0.00 0.00 175.10 173.67 2kpn s LYS 90 N 0.52 1.45 -0.19 4.82 -2.85 -1.26 -5.06 119.74 117.18 2kpn s LYS 90 Ca 0.13 0.73 0.00 0.00 -1.00 0.00 0.00 55.97 55.83 2kpn s LYS 90 Cb -0.22 -1.84 0.02 0.00 -2.06 0.00 0.00 37.83 33.73 2kpn s LYS 90 CO -0.04 -2.08 -0.17 0.54 0.10 0.00 0.00 175.35 173.70 2kpn s ASN 91 N -3.59 3.40 -0.73 0.03 4.22 -1.26 -5.02 114.94 112.00 2kpn s ASN 91 Ca 0.63 -0.65 -0.01 0.00 -2.14 0.00 0.00 52.86 50.68 2kpn s ASN 91 Cb -0.17 -1.53 0.40 0.00 1.28 0.00 0.00 41.25 41.23 2kpn s ASN 91 CO 0.56 -0.02 1.92 0.47 -2.04 0.00 0.00 177.10 177.99 2kpn n ASP 92 N 4.64 7.24 -2.56 3.54 8.00 -1.26 -4.93 116.55 131.22 2kpn n ASP 92 Ca -0.20 -3.81 -0.03 0.00 0.71 0.00 0.00 54.79 51.46 2kpn n ASP 92 Cb 0.50 -0.95 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 2kpn n ASP 92 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kpn n LYS 93 N -0.68 -3.86 -1.54 -1.24 4.76 -1.26 -4.81 118.16 109.53 2kpn n LYS 93 Ca 0.55 3.00 -0.38 0.00 -2.87 0.00 0.00 58.31 58.62 2kpn n LYS 93 Cb 0.45 -4.90 -0.06 0.00 -1.84 0.00 0.00 35.03 28.68 2kpn n LYS 93 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 2kpn n PRO 94 N 1.19 0.86 0.00 1.97 -0.02 -1.26 -4.80 135.00 132.94 2kpn n PRO 94 Ca -0.23 0.02 0.14 0.00 -2.02 0.00 0.00 63.50 61.40 2kpn n PRO 94 Cb 0.36 -3.03 0.80 0.00 -0.02 0.00 0.00 33.50 31.61 2kpn n PRO 94 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2kpn n ILE 95 N 7.88 0.00 -2.34 4.25 -5.35 -1.26 -4.74 119.36 117.80 2kpn n ILE 95 Ca 0.43 0.00 -0.41 0.00 -0.27 0.00 0.00 62.75 62.49 2kpn n ILE 95 Cb 0.43 -0.44 -0.03 0.00 -1.74 0.00 0.00 39.64 37.87 2kpn n ILE 95 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2kpn s LEU 96 N -1.86 3.38 0.00 7.28 2.96 -1.26 -5.32 118.68 123.85 2kpn s LEU 96 Ca 0.41 0.29 0.26 0.00 -0.22 0.00 0.00 54.13 54.88 2kpn s LEU 96 Cb 0.19 -2.98 0.73 0.00 0.50 0.00 0.00 46.19 44.62 2kpn s LEU 96 CO 0.31 -1.80 1.56 1.21 -1.32 0.00 0.00 176.35 176.31