#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 -0.75 2.71 3.03 0.00 -1.26 -4.92 105.19 104.00 2kpn n GLY 2 Ca 0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2kpn n GLY 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpn s ASN 3 N -5.28 3.26 -0.95 1.61 2.47 -1.26 -5.06 114.94 109.73 2kpn s ASN 3 Ca -0.15 -1.08 -0.16 0.00 0.42 0.00 0.00 52.86 51.89 2kpn s ASN 3 Cb 0.02 -0.62 -0.10 0.00 -1.45 0.00 0.00 41.25 39.10 2kpn s ASN 3 CO 0.22 -0.35 2.06 0.61 -3.72 0.00 0.00 177.10 175.92 2kpn n GLY 4 N 5.03 3.07 3.55 1.21 0.00 -1.26 -4.89 105.19 111.91 2kpn n GLY 4 Ca -0.07 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 2kpn n GLY 4 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kpn s GLU 5 N 4.21 3.34 0.26 1.61 2.12 -1.26 -4.97 118.70 124.01 2kpn s GLU 5 Ca 0.52 -0.07 -0.03 0.00 0.36 0.00 0.00 54.97 55.74 2kpn s GLU 5 Cb 0.14 -4.10 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 2kpn s GLU 5 CO 0.04 -1.87 0.31 -0.08 -0.54 0.00 0.00 175.26 173.13 2kpn s THR 6 N 5.13 0.00 -0.30 -1.70 -1.32 -1.26 -5.16 115.64 111.02 2kpn s THR 6 Ca 0.37 -1.76 0.04 0.00 -1.21 0.00 0.00 61.69 59.13 2kpn s THR 6 Cb -0.09 -2.45 0.18 0.00 -1.51 0.00 0.00 72.50 68.63 2kpn s THR 6 CO 0.19 0.00 0.50 -0.94 -2.21 0.00 0.00 174.62 172.16 2kpn s SER 7 N -3.17 -0.56 -0.37 8.08 1.04 -1.26 -5.11 113.70 112.36 2kpn s SER 7 Ca 0.33 -0.23 -0.22 0.00 0.48 0.00 0.00 55.95 56.31 2kpn s SER 7 Cb 0.03 1.53 0.01 0.00 0.10 0.00 0.00 66.02 67.69 2kpn s SER 7 CO 0.15 -0.31 0.74 -0.62 0.98 0.00 0.00 173.24 174.18 2kpn s ASP 8 N 2.57 6.51 0.01 7.02 2.15 -1.26 -4.91 116.67 128.76 2kpn s ASP 8 Ca 0.11 0.28 -0.18 0.00 0.43 0.00 0.00 52.55 53.18 2kpn s ASP 8 Cb -0.11 -2.38 -0.06 0.00 -0.30 0.00 0.00 42.92 40.08 2kpn s ASP 8 CO -0.26 -0.70 0.52 -0.76 -0.17 0.00 0.00 175.17 173.80 2kpn s LEU 9 N 3.00 4.45 0.21 -1.34 1.43 -1.26 -5.05 118.68 120.13 2kpn s LEU 9 Ca 0.29 1.10 -0.32 0.00 -1.03 0.00 0.00 54.13 54.17 2kpn s LEU 9 Cb -0.13 -2.79 -0.13 0.00 0.03 0.00 0.00 46.19 43.16 2kpn s LEU 9 CO 0.17 0.21 1.58 -1.84 0.23 0.00 0.00 176.35 176.69 2kpn n GLU 10 N 2.27 2.37 -1.76 1.70 0.28 -1.26 -4.71 120.64 119.53 2kpn n GLU 10 Ca -0.10 0.85 -0.37 0.00 -0.16 0.00 0.00 57.16 57.37 2kpn n GLU 10 Cb 0.51 -2.61 0.06 0.00 1.43 0.00 0.00 31.44 30.83 2kpn n GLU 10 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2kpn s PRO 11 N 0.42 2.78 -0.50 3.44 0.04 -1.26 -4.92 135.00 134.99 2kpn s PRO 11 Ca 0.73 2.13 -0.27 0.00 0.04 0.00 0.00 61.00 63.64 2kpn s PRO 11 Cb -0.60 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 31.97 2kpn s PRO 11 CO 0.41 -1.44 1.03 0.21 0.04 0.00 0.00 177.00 177.24 2kpn s LYS 12 N -3.20 3.54 -0.39 4.56 2.47 0.94 -4.87 119.74 122.79 2kpn s LYS 12 Ca 0.78 0.20 -0.17 0.00 -1.56 0.00 0.00 55.97 55.22 2kpn s LYS 12 Cb -0.39 -3.96 0.01 0.00 -1.46 0.00 0.00 37.83 32.03 2kpn s LYS 12 CO 0.43 -1.39 0.42 -1.17 0.16 0.00 0.00 175.35 173.80 2kpn s LEU 13 N 4.17 4.70 -0.46 5.43 2.96 -1.26 -1.24 118.68 132.98 2kpn s LEU 13 Ca 0.40 -0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 53.57 2kpn s LEU 13 Cb -0.09 -2.39 0.03 0.00 0.50 0.00 0.00 46.19 44.24 2kpn s LEU 13 CO 0.26 -0.50 0.81 -0.89 -1.32 0.00 0.00 176.35 174.72 2kpn s THR 14 N 2.12 4.61 -0.03 3.68 2.01 0.70 -5.00 115.64 123.72 2kpn s THR 14 Ca 0.12 0.45 0.01 0.00 0.31 0.00 0.00 61.69 62.59 2kpn s THR 14 Cb -0.17 -4.35 0.02 0.00 0.01 0.00 0.00 72.50 68.01 2kpn s THR 14 CO 0.13 -0.76 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.59 2kpn s VAL 15 N 3.40 0.34 0.60 3.82 1.01 -1.26 -2.70 120.40 125.60 2kpn s VAL 15 Ca 0.31 -0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 2kpn s VAL 15 Cb -0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2kpn s VAL 15 CO 0.23 0.18 1.04 -2.16 0.00 0.00 0.00 175.10 174.39 2kpn s PRO 16 N 0.93 3.41 0.06 2.72 0.04 -1.26 -5.01 135.00 135.89 2kpn s PRO 16 Ca -0.11 1.06 -0.00 0.00 0.04 0.00 0.00 61.00 61.99 2kpn s PRO 16 Cb -0.14 -2.05 -0.26 0.00 0.04 0.00 0.00 34.50 32.09 2kpn s PRO 16 CO -0.01 -0.72 1.08 -0.24 0.04 0.00 0.00 177.00 177.15 2kpn h VAL 17 N 0.26 1.43 -1.25 -0.36 3.04 -1.95 -3.38 116.25 114.05 2kpn h VAL 17 Ca -0.46 -3.07 0.15 0.00 -1.01 0.00 0.00 66.70 62.31 2kpn h VAL 17 Cb 1.21 2.85 -0.31 0.00 -2.01 0.00 0.00 31.29 33.02 2kpn h VAL 17 CO 0.59 0.87 0.73 -0.83 -1.01 0.00 0.00 177.57 177.92 2kpn s GLY 18 N -4.77 0.20 0.02 3.17 0.00 -1.26 -1.17 107.32 103.52 2kpn s GLY 18 Ca -0.04 3.27 -0.00 0.00 0.00 0.00 0.00 44.72 47.95 2kpn s GLY 18 CO 0.86 1.94 -0.03 0.00 0.00 0.00 0.00 173.10 175.87 2kpn s ALA 19 N 0.14 0.18 -0.08 3.20 0.00 -0.02 -4.93 121.76 120.24 2kpn s ALA 19 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2kpn s ALA 19 Cb -0.05 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2kpn s ALA 19 CO -0.13 -0.19 -0.06 0.99 0.00 0.00 0.00 175.76 176.38 2kpn s THR 20 N -1.79 0.81 0.47 0.00 2.01 -1.26 -0.38 115.64 115.50 2kpn s THR 20 Ca -0.13 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.70 2kpn s THR 20 Cb -0.08 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.57 2kpn s THR 20 CO -0.02 0.32 0.04 0.27 -0.69 0.00 0.00 174.62 174.54 2kpn s ILE 21 N 1.47 1.06 0.28 1.82 -4.36 0.49 -4.96 121.20 117.00 2kpn s ILE 21 Ca -0.01 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.46 2kpn s ILE 21 Cb -0.13 -2.29 -0.04 0.00 1.25 0.00 0.00 42.46 41.25 2kpn s ILE 21 CO -0.04 0.00 0.19 -1.00 0.24 0.00 0.00 174.94 174.33 2kpn s HIS 22 N -2.97 2.97 0.14 1.37 3.76 -1.26 -0.47 115.29 118.83 2kpn s HIS 22 Ca 0.14 -0.19 -0.31 0.00 -0.15 0.00 0.00 55.06 54.54 2kpn s HIS 22 Cb 0.03 -1.49 -0.11 0.00 1.11 0.00 0.00 32.58 32.12 2kpn s HIS 22 CO 0.08 0.44 1.80 0.08 -0.85 0.00 0.00 174.74 176.29 2kpn s VAL 23 N -2.23 2.42 0.00 -0.90 1.01 0.76 -2.38 120.40 119.08 2kpn s VAL 23 Ca 0.35 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2kpn s VAL 23 Cb -0.07 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.28 2kpn s VAL 23 CO 0.24 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.96 2kpn n GLY 24 N 4.17 0.50 2.29 4.51 0.00 0.12 -4.73 105.19 112.05 2kpn n GLY 24 Ca 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 2kpn n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kpn n ASP 25 N 0.00 0.58 -3.96 1.61 2.03 -1.00 -5.11 116.55 110.69 2kpn n ASP 25 Ca 0.00 -1.56 -0.18 0.00 0.52 0.00 0.00 54.79 53.57 2kpn n ASP 25 Cb 0.00 -0.45 -0.15 0.00 -0.72 0.00 0.00 41.12 39.81 2kpn n ASP 25 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2kpn s SER 26 N -3.54 0.82 -0.05 1.67 0.01 -1.26 -4.86 113.70 106.50 2kpn s SER 26 Ca 0.41 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.58 2kpn s SER 26 Cb -0.02 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2kpn s SER 26 CO 0.27 0.05 -0.17 0.12 0.41 0.00 0.00 173.24 173.93 2kpn s PHE 27 N 0.08 1.75 -0.43 2.43 2.19 -1.26 -5.12 117.98 117.63 2kpn s PHE 27 Ca -0.01 -0.55 0.03 0.00 0.33 0.00 0.00 56.93 56.73 2kpn s PHE 27 Cb -0.05 -1.19 0.12 0.00 -1.31 0.00 0.00 43.02 40.58 2kpn s PHE 27 CO -0.00 -0.21 0.18 0.08 1.83 0.00 0.00 175.22 177.10 2kpn s VAL 28 N 0.18 2.02 0.44 3.12 1.01 -1.26 -4.98 120.40 120.93 2kpn s VAL 28 Ca -0.07 -2.66 0.15 0.00 0.00 0.00 0.00 61.98 59.40 2kpn s VAL 28 Cb -0.13 -2.44 0.18 0.00 0.00 0.00 0.00 36.38 34.00 2kpn s VAL 28 CO 0.03 -0.76 1.99 1.55 0.00 0.00 0.00 175.10 177.91 2kpn h PRO 29 N 7.03 0.00 0.00 2.72 0.13 -1.99 -1.79 132.00 138.10 2kpn h PRO 29 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2kpn h PRO 29 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2kpn h PRO 29 CO 0.57 0.19 0.00 -1.33 -0.23 0.00 0.00 178.00 177.20 2kpn n MET 30 N -4.25 0.23 -0.06 0.86 2.81 -1.26 -2.82 117.12 112.64 2kpn n MET 30 Ca -0.02 0.01 -0.08 0.00 -1.81 0.00 0.00 57.70 55.80 2kpn n MET 30 Cb 0.26 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 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 -1.38 1.73 0.84 3.04 0.00 -0.99 -4.63 120.51 119.12 2kpn n ALA 31 Ca 0.11 -0.55 0.12 0.00 0.00 0.00 0.00 53.44 53.12 2kpn n ALA 31 Cb 0.27 0.19 0.53 0.00 0.00 0.00 0.00 19.45 20.44 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 -2.82 0.02 -4.62 0.00 1.02 -0.71 -4.68 120.64 108.85 2kpn n GLU 32 Ca -0.22 0.09 -0.33 0.00 -0.02 0.00 0.00 57.16 56.68 2kpn n GLU 32 Cb 0.75 -1.53 -0.16 0.00 -0.02 0.00 0.00 31.44 30.47 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 -3.02 2.22 0.28 2.62 1.01 -1.13 -4.76 120.40 117.62 2kpn s VAL 33 Ca 0.12 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.27 2kpn s VAL 33 Cb 0.16 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2kpn s VAL 33 CO 0.47 0.54 -0.14 -0.76 0.00 0.00 0.00 175.10 175.20 2kpn s LEU 34 N 0.83 2.60 -0.13 3.92 2.01 -1.10 -4.83 118.68 121.97 2kpn s LEU 34 Ca -0.06 -1.09 -0.05 0.00 0.01 0.00 0.00 54.13 52.94 2kpn s LEU 34 Cb -0.15 -0.91 0.06 0.00 0.01 0.00 0.00 46.19 45.20 2kpn s LEU 34 CO -0.02 -0.12 0.28 0.00 1.01 0.00 0.00 176.35 177.51 2kpn s ALA 35 N -2.71 -0.63 -0.05 4.21 0.00 -1.26 -0.22 121.76 121.10 2kpn s ALA 35 Ca 0.29 1.02 0.05 0.00 0.00 0.00 0.00 51.96 53.32 2kpn s ALA 35 Cb -0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 2kpn s ALA 35 CO 0.13 -0.54 -0.20 0.42 0.00 0.00 0.00 175.76 175.57 2kpn s ILE 36 N 2.14 1.65 0.13 0.00 -1.09 -0.37 -0.75 121.20 122.91 2kpn s ILE 36 Ca -0.02 -0.84 0.11 0.00 -2.23 0.00 0.00 60.65 57.67 2kpn s ILE 36 Cb -0.11 -1.41 -0.04 0.00 -1.58 0.00 0.00 42.46 39.32 2kpn s ILE 36 CO -0.09 0.47 -0.26 -0.62 -1.23 0.00 0.00 174.94 173.20 2kpn s ASP 37 N -0.00 3.25 0.04 3.58 2.15 0.12 -0.04 116.67 125.76 2kpn s ASP 37 Ca -0.04 -0.74 -0.29 0.00 0.43 0.00 0.00 52.55 51.90 2kpn s ASP 37 Cb -0.13 -0.21 -0.16 0.00 -0.30 0.00 0.00 42.92 42.12 2kpn s ASP 37 CO 0.03 0.17 1.31 0.50 -0.17 0.00 0.00 175.17 177.01 2kpn h LYS 38 N 3.91 -1.02 0.00 4.34 3.64 -1.84 -3.04 116.57 122.56 2kpn h LYS 38 Ca -0.51 0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 2kpn h LYS 38 Cb 1.17 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.21 2kpn h LYS 38 CO 0.39 -0.68 -0.53 0.93 -2.27 0.00 0.00 179.45 177.30 2kpn h GLU 39 N -1.16 0.00 -0.06 1.90 3.07 -1.91 -3.40 114.58 113.02 2kpn h GLU 39 Ca -0.11 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2kpn h GLU 39 Cb 0.81 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2kpn h GLU 39 CO 0.18 0.69 -0.00 0.22 -1.40 0.00 0.00 179.01 178.69 2kpn h ASP 40 N -1.00 0.12 0.00 1.42 1.82 -1.96 -3.49 116.42 113.32 2kpn h ASP 40 Ca -0.12 -0.33 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2kpn h ASP 40 Cb 0.88 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2kpn h ASP 40 CO -0.08 0.41 0.00 0.61 -1.61 0.00 0.00 179.24 178.58 2kpn n GLY 41 N -0.23 0.25 3.61 -0.78 0.00 -1.15 -5.00 105.19 101.89 2kpn n GLY 41 Ca -0.07 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 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 6.18 -0.16 1.61 -1.08 -1.26 0.12 116.67 118.08 2kpn s ASP 42 Ca 0.00 1.23 0.16 0.00 -0.52 0.00 0.00 52.55 53.41 2kpn s ASP 42 Cb 0.00 -2.53 0.65 0.00 -1.46 0.00 0.00 42.92 39.58 2kpn s ASP 42 CO 0.00 -1.49 1.56 0.18 0.52 0.00 0.00 175.17 175.95 2kpn n LEU 43 N 9.26 4.59 -0.23 -1.34 4.77 0.07 -4.57 117.00 129.56 2kpn n LEU 43 Ca 0.20 -2.72 0.07 0.00 -0.03 0.00 0.00 56.01 53.52 2kpn n LEU 43 Cb 0.47 -0.56 0.33 0.00 -2.33 0.00 0.00 43.42 41.32 2kpn n LEU 43 CO 0.68 0.71 1.23 0.74 -1.33 0.00 0.00 177.39 179.41 2kpn h THR 44 N 3.14 0.99 0.00 -5.08 2.02 -1.76 0.63 112.91 112.85 2kpn h THR 44 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2kpn h THR 44 Cb 1.53 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2kpn h THR 44 CO 0.28 0.15 0.00 -1.20 0.37 0.00 0.00 175.52 175.12 2kpn n SER 45 N -4.50 0.35 -1.06 4.18 7.64 -1.26 -2.42 113.62 116.55 2kpn n SER 45 Ca 0.13 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.72 2kpn n SER 45 Cb 0.27 -0.66 0.17 0.00 -1.01 0.00 0.00 64.21 62.97 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 -1.89 2.38 -2.34 1.43 4.76 0.21 -4.94 118.16 117.77 2kpn n LYS 46 Ca 0.02 -2.13 -0.43 0.00 -2.87 0.00 0.00 58.31 52.91 2kpn n LYS 46 Cb 0.18 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.63 4.10 -0.34 -0.18 1.01 -1.02 -4.28 121.20 118.86 2kpn s ILE 47 Ca 0.34 1.31 -0.25 0.00 0.00 0.00 0.00 60.65 62.04 2kpn s ILE 47 Cb 0.21 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.76 2kpn s ILE 47 CO 0.30 -0.21 0.90 -0.75 0.00 0.00 0.00 174.94 175.18 2kpn s LYS 48 N 3.82 3.91 -0.48 2.79 2.20 0.57 -4.91 119.74 127.65 2kpn s LYS 48 Ca 0.59 0.65 -0.18 0.00 -0.36 0.00 0.00 55.97 56.67 2kpn s LYS 48 Cb -0.23 -3.77 0.05 0.00 -1.51 0.00 0.00 37.83 32.38 2kpn s LYS 48 CO 0.20 -0.85 0.54 0.08 -0.36 0.00 0.00 175.35 174.96 2kpn s VAL 49 N 3.32 4.99 -0.23 4.02 1.01 -1.26 -1.88 120.40 130.37 2kpn s VAL 49 Ca 0.37 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 2kpn s VAL 49 Cb -0.13 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2kpn s VAL 49 CO 0.16 -0.67 0.12 -0.62 0.00 0.00 0.00 175.10 174.09 2kpn s ASP 50 N 2.46 5.85 0.00 3.32 2.15 0.21 -4.99 116.67 125.67 2kpn s ASP 50 Ca 0.12 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.16 2kpn s ASP 50 Cb -0.20 -2.04 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2kpn s ASP 50 CO 0.11 0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 2kpn n GLY 51 N 4.18 2.55 3.24 2.66 0.00 -1.26 -0.57 105.19 115.99 2kpn n GLY 51 Ca -0.16 -2.00 -0.13 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.62 0.56 -0.16 1.61 2.12 -1.26 -4.95 118.70 114.00 2kpn s GLU 52 Ca 0.00 0.10 0.02 0.00 0.36 0.00 0.00 54.97 55.44 2kpn s GLU 52 Cb 0.00 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.66 2kpn s GLU 52 CO 0.00 -0.13 -0.20 0.08 -0.54 0.00 0.00 175.26 174.47 2kpn s VAL 53 N -0.68 2.01 0.20 3.70 1.01 -1.26 -4.93 120.40 120.45 2kpn s VAL 53 Ca -0.08 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 2kpn s VAL 53 Cb -0.04 -1.80 -0.08 0.00 0.00 0.00 0.00 36.38 34.45 2kpn s VAL 53 CO 0.03 0.54 1.15 -1.81 0.00 0.00 0.00 175.10 175.00 2kpn s ASP 54 N 1.12 7.18 0.00 3.32 1.01 -1.26 -4.94 116.67 123.10 2kpn s ASP 54 Ca 0.00 2.20 0.25 0.00 0.71 0.00 0.00 52.55 55.71 2kpn s ASP 54 Cb -0.14 -2.61 0.50 0.00 1.01 0.00 0.00 42.92 41.68 2kpn s ASP 54 CO -0.08 -0.28 1.43 0.35 0.21 0.00 0.00 175.17 176.80 2kpn n THR 55 N 2.18 0.08 0.11 -1.27 -2.24 -1.26 -4.04 114.28 107.84 2kpn n THR 55 Ca 0.03 -0.45 0.03 0.00 -2.27 0.00 0.00 64.05 61.38 2kpn n THR 55 Cb 0.45 1.08 0.04 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.97 0.35 -4.18 4.28 -2.24 -1.26 -0.70 114.28 111.50 2kpn n THR 56 Ca 0.16 -0.67 -0.29 0.00 -2.27 0.00 0.00 64.05 60.98 2kpn n THR 56 Cb 0.51 0.90 -0.17 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.63 2.18 -0.29 -0.78 2.47 -1.26 -5.03 119.74 116.41 2kpn s LYS 57 Ca 0.08 -0.52 -0.29 0.00 -1.56 0.00 0.00 55.97 53.67 2kpn s LYS 57 Cb 0.05 -1.96 -0.02 0.00 -1.46 0.00 0.00 37.83 34.44 2kpn s LYS 57 CO 0.07 -0.17 1.62 0.00 0.16 0.00 0.00 175.35 177.03 2kpn s ALA 58 N 1.31 3.11 0.00 3.13 0.00 -1.26 -4.68 121.76 123.37 2kpn s ALA 58 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2kpn s ALA 58 Cb -0.14 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2kpn s ALA 58 CO -0.07 -2.23 0.00 0.41 0.00 0.00 0.00 175.76 173.87 2kpn n GLY 59 N 4.96 0.79 3.54 0.00 0.00 -0.74 -4.98 105.19 108.76 2kpn n GLY 59 Ca 0.19 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.99 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 4.68 -0.16 2.61 2.01 -1.26 -0.93 115.64 120.59 2kpn s THR 60 Ca 0.00 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.96 2kpn s THR 60 Cb 0.00 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.35 2kpn s THR 60 CO 0.00 0.36 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.77 2kpn s TYR 61 N 1.26 2.72 -0.30 4.92 2.02 0.15 -4.97 117.35 123.16 2kpn s TYR 61 Ca 0.05 -1.48 -0.18 0.00 -0.37 0.00 0.00 57.07 55.09 2kpn s TYR 61 Cb -0.14 -1.87 -0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2kpn s TYR 61 CO 0.04 -0.70 0.54 0.08 -1.57 0.00 0.00 175.55 173.94 2kpn s VAL 62 N 1.04 5.02 0.13 0.71 1.01 -1.26 -1.29 120.40 125.76 2kpn s VAL 62 Ca -0.01 0.71 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 2kpn s VAL 62 Cb -0.14 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2kpn s VAL 62 CO -0.07 -0.05 0.41 -0.76 0.00 0.00 0.00 175.10 174.62 2kpn s LEU 63 N 2.40 4.28 -0.10 3.92 1.43 0.44 -4.88 118.68 126.17 2kpn s LEU 63 Ca 0.21 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 2kpn s LEU 63 Cb -0.15 -3.24 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2kpn s LEU 63 CO 0.11 0.08 -0.15 -0.89 0.23 0.00 0.00 176.35 175.73 2kpn s THR 64 N -1.59 2.91 -0.20 5.49 2.01 0.27 -0.39 115.64 124.14 2kpn s THR 64 Ca 0.39 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.66 2kpn s THR 64 Cb -0.13 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.24 2kpn s THR 64 CO 0.22 0.55 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.26 2kpn s TYR 65 N 0.01 2.57 -0.13 4.92 2.02 0.05 -0.62 117.35 126.16 2kpn s TYR 65 Ca -0.05 -1.65 0.01 0.00 -0.37 0.00 0.00 57.07 55.02 2kpn s TYR 65 Cb -0.14 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2kpn s TYR 65 CO 0.04 -0.76 -0.16 0.99 -1.57 0.00 0.00 175.55 174.09 2kpn s THR 66 N 1.35 1.63 -0.05 -0.71 2.01 -0.79 -0.98 115.64 118.10 2kpn s THR 66 Ca -0.00 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.36 2kpn s THR 66 Cb -0.16 -1.50 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2kpn s THR 66 CO -0.09 0.47 -0.23 0.54 -0.69 0.00 0.00 174.62 174.61 2kpn s VAL 67 N 1.16 2.22 -0.12 3.82 0.11 -0.29 -0.32 120.40 126.98 2kpn s VAL 67 Ca -0.02 -1.02 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 2kpn s VAL 67 Cb -0.14 -1.81 -0.00 0.00 -1.53 0.00 0.00 36.38 32.90 2kpn s VAL 67 CO -0.06 0.57 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.21 2kpn s THR 68 N -0.33 2.46 0.53 5.04 2.01 -1.26 -1.53 115.64 122.57 2kpn s THR 68 Ca 0.02 -0.86 -0.18 0.00 0.31 0.00 0.00 61.69 60.97 2kpn s THR 68 Cb -0.12 -2.00 -0.06 0.00 0.01 0.00 0.00 72.50 70.33 2kpn s THR 68 CO 0.02 0.54 1.05 -0.62 -0.69 0.00 0.00 174.62 174.92 2kpn s ASP 69 N 0.49 6.09 0.51 3.53 -1.08 0.62 -4.93 116.67 121.90 2kpn s ASP 69 Ca -0.13 1.88 0.22 0.00 -0.52 0.00 0.00 52.55 54.00 2kpn s ASP 69 Cb -0.17 -2.55 1.37 0.00 -1.46 0.00 0.00 42.92 40.11 2kpn s ASP 69 CO 0.05 -0.96 2.10 0.28 0.52 0.00 0.00 175.17 177.17 2kpn h SER 70 N 1.05 0.00 -0.24 -0.34 0.02 -2.00 -1.52 113.55 110.52 2kpn h SER 70 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2kpn h SER 70 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2kpn h SER 70 CO 0.58 0.09 0.00 0.29 -1.14 0.00 0.00 176.83 176.66 2kpn n LYS 71 N -4.05 2.12 0.00 3.45 4.01 -1.26 -4.95 118.16 117.48 2kpn n LYS 71 Ca -0.02 -1.68 0.00 0.00 -0.51 0.00 0.00 58.31 56.09 2kpn n LYS 71 Cb 0.18 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 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 1.32 1.57 3.28 0.72 0.00 -0.57 -5.09 105.19 106.42 2kpn n GLY 72 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 3.23 -0.23 1.61 3.76 -1.25 -4.91 115.29 115.50 2kpn s HIS 73 Ca 0.00 -1.34 -0.03 0.00 -0.15 0.00 0.00 55.06 53.54 2kpn s HIS 73 Cb 0.00 -2.26 0.01 0.00 1.11 0.00 0.00 32.58 31.43 2kpn s HIS 73 CO 0.00 -0.70 -0.06 -2.00 -0.85 0.00 0.00 174.74 171.13 2kpn s GLU 74 N 1.42 3.16 0.20 1.40 2.12 -1.26 -0.27 118.70 125.46 2kpn s GLU 74 Ca -0.01 -0.76 0.10 0.00 0.36 0.00 0.00 54.97 54.66 2kpn s GLU 74 Cb -0.19 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 2kpn s GLU 74 CO 0.02 -0.27 -0.16 0.14 -0.54 0.00 0.00 175.26 174.46 2kpn s VAL 75 N 1.41 2.79 -0.05 3.70 -7.23 -0.58 -4.98 120.40 115.45 2kpn s VAL 75 Ca 0.04 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 2kpn s VAL 75 Cb -0.15 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.43 2kpn s VAL 75 CO -0.05 -0.15 0.25 0.28 -0.31 0.00 0.00 175.10 175.12 2kpn s THR 76 N -1.79 0.04 -0.08 5.32 -1.32 -1.26 -1.14 115.64 115.41 2kpn s THR 76 Ca 0.24 -0.31 -0.12 0.00 -1.21 0.00 0.00 61.69 60.30 2kpn s THR 76 Cb -0.08 -0.47 0.03 0.00 -1.51 0.00 0.00 72.50 70.47 2kpn s THR 76 CO 0.13 -0.17 0.30 0.00 -2.21 0.00 0.00 174.62 172.67 2kpn s ALA 77 N -0.66 -0.75 0.25 11.08 0.00 -0.15 -5.00 121.76 126.52 2kpn s ALA 77 Ca -0.08 0.65 0.07 0.00 0.00 0.00 0.00 51.96 52.61 2kpn s ALA 77 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2kpn s ALA 77 CO 0.02 -0.19 0.16 0.15 0.00 0.00 0.00 175.76 175.90 2kpn s LYS 78 N -0.39 2.83 -0.05 0.00 1.02 -1.26 -0.77 119.74 121.12 2kpn s LYS 78 Ca -0.05 -1.09 0.01 0.00 0.02 0.00 0.00 55.97 54.86 2kpn s LYS 78 Cb -0.03 -2.51 0.02 0.00 -0.52 0.00 0.00 37.83 34.79 2kpn s LYS 78 CO 0.02 0.40 -0.07 -1.14 -0.92 0.00 0.00 175.35 173.64 2kpn s GLN 79 N -3.75 1.07 -0.53 1.68 0.74 0.47 -4.65 119.66 114.70 2kpn s GLN 79 Ca 0.32 -0.20 -0.19 0.00 0.05 0.00 0.00 55.36 55.34 2kpn s GLN 79 Cb -0.08 -0.99 0.07 0.00 1.10 0.00 0.00 33.01 33.11 2kpn s GLN 79 CO 0.24 -0.04 0.66 0.99 -0.55 0.00 0.00 175.29 176.59 2kpn s THR 80 N 0.80 4.84 -0.15 -0.34 2.01 -0.32 -0.42 115.64 122.07 2kpn s THR 80 Ca -0.12 -0.62 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 2kpn s THR 80 Cb -0.15 -4.36 -0.04 0.00 0.01 0.00 0.00 72.50 67.96 2kpn s THR 80 CO 0.01 -0.91 0.09 -0.69 -0.69 0.00 0.00 174.62 172.43 2kpn s VAL 81 N 2.69 5.02 -0.07 3.82 1.01 -0.41 -0.84 120.40 131.62 2kpn s VAL 81 Ca 0.14 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2kpn s VAL 81 Cb -0.20 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 32.97 2kpn s VAL 81 CO 0.10 0.54 -0.17 -0.89 0.00 0.00 0.00 175.10 174.68 2kpn s THR 82 N -0.33 1.49 -0.17 3.92 2.01 0.49 0.33 115.64 123.38 2kpn s THR 82 Ca 0.10 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 2kpn s THR 82 Cb -0.12 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 71.06 2kpn s THR 82 CO 0.01 0.43 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.65 2kpn s VAL 83 N 0.38 3.77 0.16 3.82 1.01 -0.11 -0.38 120.40 129.05 2kpn s VAL 83 Ca -0.13 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.56 2kpn s VAL 83 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2kpn s VAL 83 CO 0.05 0.48 -0.16 -0.54 0.00 0.00 0.00 175.10 174.93 2kpn s LYS 84 N 0.58 1.85 0.32 2.72 1.02 0.38 -1.79 119.74 124.83 2kpn s LYS 84 Ca -0.03 -1.28 -0.23 0.00 0.02 0.00 0.00 55.97 54.45 2kpn s LYS 84 Cb -0.14 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 34.99 2kpn s LYS 84 CO 0.03 0.45 0.89 0.08 -0.92 0.00 0.00 175.35 175.87 2kpn s VAL 85 N -1.47 4.35 0.53 3.17 1.01 -1.26 -0.17 120.40 126.55 2kpn s VAL 85 Ca 0.21 1.60 -0.09 0.00 0.00 0.00 0.00 61.98 63.70 2kpn s VAL 85 Cb -0.09 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2kpn s VAL 85 CO 0.12 0.04 0.90 0.00 0.00 0.00 0.00 175.10 176.17 2kpn s ARG 86 N -2.33 3.63 0.40 2.72 1.04 -1.26 -4.84 118.95 118.31 2kpn s ARG 86 Ca 0.51 0.53 -0.25 0.00 -1.04 0.00 0.00 55.73 55.48 2kpn s ARG 86 Cb -0.16 -2.23 -0.08 0.00 -2.04 0.00 0.00 34.95 30.44 2kpn s ARG 86 CO 0.21 -0.35 1.20 -1.21 -0.04 0.00 0.00 175.30 175.11 2kpn s GLU 87 N -4.76 4.02 -0.11 3.89 2.02 -1.26 -5.05 118.70 117.44 2kpn s GLU 87 Ca 0.52 1.90 -0.01 0.00 0.02 0.00 0.00 54.97 57.40 2kpn s GLU 87 Cb -0.11 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.42 2kpn s GLU 87 CO 0.46 -0.37 -0.05 -2.00 0.02 0.00 0.00 175.26 173.32 2kpn s GLU 88 N -2.30 3.18 0.87 1.61 2.12 -1.26 -5.13 118.70 117.79 2kpn s GLU 88 Ca 0.57 -0.52 -0.10 0.00 0.36 0.00 0.00 54.97 55.28 2kpn s GLU 88 Cb -0.32 -2.76 0.17 0.00 0.26 0.00 0.00 34.13 31.48 2kpn s GLU 88 CO 0.41 0.49 1.20 0.14 -0.54 0.00 0.00 175.26 176.95 2kpn s VAL 89 N -0.31 2.05 -0.80 3.70 -7.23 -1.26 -4.92 120.40 111.63 2kpn s VAL 89 Ca 0.05 -0.21 -0.26 0.00 -1.81 0.00 0.00 61.98 59.75 2kpn s VAL 89 Cb -0.12 -2.84 -0.12 0.00 0.56 0.00 0.00 36.38 33.85 2kpn s VAL 89 CO 0.02 0.00 2.32 -0.54 -0.31 0.00 0.00 175.10 176.60 2kpn s LYS 90 N -5.61 1.78 0.55 4.82 1.02 -1.26 -4.94 119.74 116.11 2kpn s LYS 90 Ca 0.71 0.38 0.02 0.00 0.02 0.00 0.00 55.97 57.09 2kpn s LYS 90 Cb -0.05 -4.82 0.04 0.00 -0.52 0.00 0.00 37.83 32.48 2kpn s LYS 90 CO 0.50 -4.22 0.77 -0.80 -0.92 0.00 0.00 175.35 170.67 2kpn s ASN 91 N 10.40 5.25 -0.08 2.83 0.01 -1.26 -4.98 114.94 127.11 2kpn s ASN 91 Ca 0.89 -0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 2kpn s ASN 91 Cb -0.12 -0.79 0.10 0.00 0.41 0.00 0.00 41.25 40.85 2kpn s ASN 91 CO 0.07 -1.16 1.34 0.47 -1.51 0.00 0.00 177.10 176.31 2kpn n ASP 92 N -2.33 3.71 -3.17 -1.22 8.00 -1.26 -4.83 116.55 115.45 2kpn n ASP 92 Ca 0.08 -2.34 -0.10 0.00 0.71 0.00 0.00 54.79 53.14 2kpn n ASP 92 Cb 0.60 -0.68 0.01 0.00 -0.02 0.00 0.00 41.12 41.03 2kpn n ASP 92 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2kpn n LYS 93 N 0.43 -1.71 -2.09 -1.24 3.00 -1.26 -4.87 118.16 110.41 2kpn n LYS 93 Ca 0.10 1.55 -0.41 0.00 -0.00 0.00 0.00 58.31 59.54 2kpn n LYS 93 Cb 0.65 -4.81 -0.03 0.00 0.00 0.00 0.00 35.03 30.84 2kpn n LYS 93 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2kpn s PRO 94 N -3.16 3.06 -1.23 1.64 0.02 -1.26 -4.91 135.00 129.16 2kpn s PRO 94 Ca 0.11 0.95 -0.20 0.00 0.02 0.00 0.00 61.00 61.88 2kpn s PRO 94 Cb -0.02 -4.25 -0.01 0.00 0.02 0.00 0.00 34.50 30.24 2kpn s PRO 94 CO 0.79 -2.20 1.87 -0.89 -0.33 0.00 0.00 177.00 176.25 2kpn n ILE 95 N 7.24 3.01 -2.28 2.83 5.41 -1.26 -4.91 119.36 129.40 2kpn n ILE 95 Ca 0.20 -3.04 -0.34 0.00 1.00 0.00 0.00 62.75 60.57 2kpn n ILE 95 Cb 0.49 -2.31 -0.04 0.00 -0.71 0.00 0.00 39.64 37.07 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 6.14 3.31 0.00 1.39 2.96 -1.26 -5.31 118.68 125.91 2kpn s LEU 96 Ca 0.59 -0.97 0.23 0.00 -0.22 0.00 0.00 54.13 53.76 2kpn s LEU 96 Cb 0.04 -2.56 0.18 0.00 0.50 0.00 0.00 46.19 44.35 2kpn s LEU 96 CO 0.09 -2.18 1.24 1.21 -1.32 0.00 0.00 176.35 175.38