#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 1.66 3.71 -5.12 0.00 -1.26 -4.86 105.19 99.32 2kpn n GLY 2 Ca 0.00 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2kpn n GLY 2 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kpn s ASN 3 N -1.66 7.16 0.44 1.61 0.01 -1.26 -4.99 114.94 116.25 2kpn s ASN 3 Ca 0.00 1.95 -0.25 0.00 -0.71 0.00 0.00 52.86 53.85 2kpn s ASN 3 Cb 0.00 -2.58 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 2kpn s ASN 3 CO 0.00 -0.40 1.28 0.61 -1.51 0.00 0.00 177.10 177.07 2kpn n GLY 4 N 3.03 0.55 3.65 0.66 0.00 -1.26 -5.03 105.19 106.80 2kpn n GLY 4 Ca 0.08 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 2kpn n GLY 4 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpn s GLU 5 N -2.27 2.04 0.15 1.61 4.04 -1.26 -5.09 118.70 117.91 2kpn s GLU 5 Ca 0.62 -1.99 0.05 0.00 0.04 0.00 0.00 54.97 53.69 2kpn s GLU 5 Cb -0.50 -1.77 -0.04 0.00 0.02 0.00 0.00 34.13 31.84 2kpn s GLU 5 CO 0.57 -0.04 0.09 0.95 -1.84 0.00 0.00 175.26 175.00 2kpn s THR 6 N -2.65 4.32 -0.10 1.83 -4.23 -1.26 -5.09 115.64 108.46 2kpn s THR 6 Ca 0.37 -1.08 -0.30 0.00 -1.18 0.00 0.00 61.69 59.49 2kpn s THR 6 Cb 0.07 -3.17 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 2kpn s THR 6 CO 0.19 -0.05 1.29 -0.94 -0.54 0.00 0.00 174.62 174.57 2kpn s SER 7 N -2.90 6.95 -0.20 3.99 1.04 -1.26 -5.02 113.70 116.30 2kpn s SER 7 Ca 0.30 1.83 -0.07 0.00 0.48 0.00 0.00 55.95 58.48 2kpn s SER 7 Cb -0.10 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2kpn s SER 7 CO 0.22 -0.70 0.06 -0.62 0.98 0.00 0.00 173.24 173.17 2kpn s ASP 8 N 1.88 5.38 -0.07 7.02 2.15 -1.26 -5.10 116.67 126.68 2kpn s ASP 8 Ca 0.58 -0.04 -0.12 0.00 0.43 0.00 0.00 52.55 53.40 2kpn s ASP 8 Cb -0.25 -1.93 -0.05 0.00 -0.30 0.00 0.00 42.92 40.39 2kpn s ASP 8 CO 0.20 0.10 0.30 -0.76 -0.17 0.00 0.00 175.17 174.84 2kpn s LEU 9 N 0.79 4.41 0.20 -1.34 1.43 -1.26 -5.09 118.68 117.82 2kpn s LEU 9 Ca 0.03 0.72 -0.27 0.00 -1.03 0.00 0.00 54.13 53.58 2kpn s LEU 9 Cb -0.14 -2.38 -0.08 0.00 0.03 0.00 0.00 46.19 43.62 2kpn s LEU 9 CO 0.02 0.32 0.85 -1.83 0.23 0.00 0.00 176.35 175.94 2kpn s GLU 10 N -0.80 4.70 0.31 1.70 1.03 -1.26 -4.89 118.70 119.48 2kpn s GLU 10 Ca 0.20 1.31 -0.29 0.00 0.03 0.00 0.00 54.97 56.21 2kpn s GLU 10 Cb -0.14 -3.26 -0.10 0.00 -0.80 0.00 0.00 34.13 29.82 2kpn s GLU 10 CO 0.09 0.54 1.37 -1.25 -1.33 0.00 0.00 175.26 174.68 2kpn s PRO 11 N -1.18 4.30 -0.53 -4.83 0.04 -1.26 -4.87 135.00 126.67 2kpn s PRO 11 Ca 0.38 2.28 -0.27 0.00 0.04 0.00 0.00 61.00 63.43 2kpn s PRO 11 Cb -0.24 -3.07 0.03 0.00 0.04 0.00 0.00 34.50 31.25 2kpn s PRO 11 CO 0.29 -0.30 1.05 0.21 0.04 0.00 0.00 177.00 178.29 2kpn s LYS 12 N -1.34 3.51 -0.37 4.56 2.20 0.70 -4.86 119.74 124.13 2kpn s LYS 12 Ca 0.53 0.15 -0.13 0.00 -0.36 0.00 0.00 55.97 56.15 2kpn s LYS 12 Cb -0.41 -3.98 0.00 0.00 -1.51 0.00 0.00 37.83 31.93 2kpn s LYS 12 CO 0.51 -1.47 0.26 -1.17 -0.36 0.00 0.00 175.35 173.12 2kpn s LEU 13 N 4.31 4.77 -0.41 5.43 2.96 -1.26 -1.50 118.68 132.99 2kpn s LEU 13 Ca 0.39 -0.70 -0.19 0.00 -0.22 0.00 0.00 54.13 53.41 2kpn s LEU 13 Cb -0.09 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.49 2kpn s LEU 13 CO 0.25 -0.34 0.56 -0.89 -1.32 0.00 0.00 176.35 174.61 2kpn s THR 14 N 1.68 4.94 -0.01 3.68 2.01 0.28 -4.98 115.64 123.24 2kpn s THR 14 Ca 0.05 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.14 2kpn s THR 14 Cb -0.18 -4.10 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2kpn s THR 14 CO 0.10 -0.45 -0.02 -0.69 -0.69 0.00 0.00 174.62 172.87 2kpn s VAL 15 N 2.54 0.24 0.27 3.82 1.01 -1.26 -2.45 120.40 124.58 2kpn s VAL 15 Ca 0.19 -0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2kpn s VAL 15 Cb -0.15 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 2kpn s VAL 15 CO 0.16 0.09 1.11 -2.16 0.00 0.00 0.00 175.10 174.31 2kpn s PRO 16 N 0.22 4.62 0.13 2.72 0.04 -1.26 -4.96 135.00 136.51 2kpn s PRO 16 Ca -0.02 1.83 0.08 0.00 0.04 0.00 0.00 61.00 62.92 2kpn s PRO 16 Cb -0.05 -3.19 -0.18 0.00 0.04 0.00 0.00 34.50 31.12 2kpn s PRO 16 CO -0.01 0.17 1.30 -0.24 0.04 0.00 0.00 177.00 178.26 2kpn h VAL 17 N 3.16 1.65 -2.10 -0.36 3.04 -1.96 -3.33 116.25 116.36 2kpn h VAL 17 Ca -0.47 -3.33 -0.05 0.00 -1.01 0.00 0.00 66.70 61.84 2kpn h VAL 17 Cb 1.21 2.81 -0.21 0.00 -2.01 0.00 0.00 31.29 33.09 2kpn h VAL 17 CO 0.67 0.94 0.10 -0.83 -1.01 0.00 0.00 177.57 177.44 2kpn s GLY 18 N -4.69 -0.52 -0.07 3.17 0.00 -1.26 -1.02 107.32 102.93 2kpn s GLY 18 Ca 0.01 1.73 -0.03 0.00 0.00 0.00 0.00 44.72 46.43 2kpn s GLY 18 CO 0.81 1.45 0.14 0.00 0.00 0.00 0.00 173.10 175.50 2kpn s ALA 19 N -0.06 -0.09 -0.29 3.20 0.00 -0.40 -4.92 121.76 119.21 2kpn s ALA 19 Ca -0.03 0.49 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 2kpn s ALA 19 Cb -0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 2kpn s ALA 19 CO 0.03 -0.50 0.17 0.99 0.00 0.00 0.00 175.76 176.45 2kpn s THR 20 N 2.14 5.08 0.44 0.00 2.01 -1.26 -1.03 115.64 123.02 2kpn s THR 20 Ca 0.02 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.06 2kpn s THR 20 Cb -0.12 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 2kpn s THR 20 CO -0.05 0.21 0.07 0.27 -0.69 0.00 0.00 174.62 174.43 2kpn s ILE 21 N 1.72 0.95 0.24 1.82 -4.36 0.03 -4.96 121.20 116.64 2kpn s ILE 21 Ca 0.07 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 58.56 2kpn s ILE 21 Cb -0.16 -2.35 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 2kpn s ILE 21 CO 0.09 0.00 -0.13 -1.00 0.24 0.00 0.00 174.94 174.14 2kpn s HIS 22 N -3.06 2.47 -0.11 1.37 3.76 -1.26 -0.64 115.29 117.82 2kpn s HIS 22 Ca 0.18 -0.28 -0.31 0.00 -0.15 0.00 0.00 55.06 54.50 2kpn s HIS 22 Cb 0.03 -1.13 -0.09 0.00 1.11 0.00 0.00 32.58 32.50 2kpn s HIS 22 CO 0.10 0.62 2.04 0.28 -0.85 0.00 0.00 174.74 176.92 2kpn n VAL 23 N -0.42 0.54 0.00 -0.90 0.31 0.58 -1.22 118.33 117.22 2kpn n VAL 23 Ca -0.08 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2kpn n VAL 23 Cb 0.58 -2.17 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 2kpn n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kpn n GLY 24 N 5.04 2.00 3.74 2.92 0.00 0.19 -4.82 105.19 114.25 2kpn n GLY 24 Ca 0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.61 4.86 0.16 1.61 1.01 -0.36 -5.04 116.67 117.30 2kpn s ASP 25 Ca 0.00 2.50 -0.13 0.00 0.71 0.00 0.00 52.55 55.63 2kpn s ASP 25 Cb 0.00 -2.61 -0.07 0.00 1.01 0.00 0.00 42.92 41.25 2kpn s ASP 25 CO 0.00 -1.82 0.54 -0.94 0.21 0.00 0.00 175.17 173.16 2kpn s SER 26 N -1.53 6.77 -0.22 0.27 1.04 -1.26 -4.86 113.70 113.91 2kpn s SER 26 Ca 0.80 1.02 -0.04 0.00 0.48 0.00 0.00 55.95 58.21 2kpn s SER 26 Cb -0.34 -2.27 0.12 0.00 0.10 0.00 0.00 66.02 63.63 2kpn s SER 26 CO 0.37 0.07 0.35 0.12 0.98 0.00 0.00 173.24 175.13 2kpn s PHE 27 N -1.54 -0.70 -0.41 5.02 5.36 -1.26 -5.11 117.98 119.34 2kpn s PHE 27 Ca 0.40 0.85 -0.01 0.00 -0.96 0.00 0.00 56.93 57.21 2kpn s PHE 27 Cb -0.14 -0.00 0.11 0.00 -0.34 0.00 0.00 43.02 42.65 2kpn s PHE 27 CO 0.19 -0.64 0.18 0.08 -1.46 0.00 0.00 175.22 173.58 2kpn s VAL 28 N 2.51 3.00 0.46 3.12 1.01 -1.26 -4.98 120.40 124.27 2kpn s VAL 28 Ca 0.09 -2.26 0.25 0.00 0.00 0.00 0.00 61.98 60.07 2kpn s VAL 28 Cb -0.15 -3.09 0.29 0.00 0.00 0.00 0.00 36.38 33.43 2kpn s VAL 28 CO -0.14 -0.68 2.10 1.55 0.00 0.00 0.00 175.10 177.93 2kpn h PRO 29 N 7.79 0.00 -0.35 2.72 0.13 -1.99 -1.77 132.00 138.52 2kpn h PRO 29 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2kpn h PRO 29 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kpn h PRO 29 CO 0.65 0.10 0.00 -1.33 -0.23 0.00 0.00 178.00 177.19 2kpn n MET 30 N -3.82 1.74 -0.00 0.86 2.81 -1.26 -3.53 117.12 113.92 2kpn n MET 30 Ca -0.02 -1.00 -0.00 0.00 -1.81 0.00 0.00 57.70 54.86 2kpn n MET 30 Cb 0.20 -1.29 -0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.29 1.99 0.72 3.04 0.00 -0.69 -4.71 120.51 121.15 2kpn n ALA 31 Ca 0.09 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.56 2kpn n ALA 31 Cb 0.28 0.30 0.19 0.00 0.00 0.00 0.00 19.45 20.21 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 -2.14 1.94 -4.89 0.00 1.02 -1.08 -4.84 120.64 110.64 2kpn n GLU 32 Ca -0.01 -1.46 -0.26 0.00 -0.02 0.00 0.00 57.16 55.42 2kpn n GLU 32 Cb 0.52 -1.32 -0.16 0.00 -0.02 0.00 0.00 31.44 30.46 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 -1.47 1.46 -0.05 2.62 1.01 -1.23 -4.62 120.40 118.12 2kpn s VAL 33 Ca 0.28 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2kpn s VAL 33 Cb 0.14 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 35.33 2kpn s VAL 33 CO 0.19 0.41 0.11 -0.22 0.00 0.00 0.00 175.10 175.60 2kpn s LEU 34 N -0.35 1.05 -0.10 3.92 0.20 -1.02 -4.94 118.68 117.43 2kpn s LEU 34 Ca 0.05 0.23 0.01 0.00 0.69 0.00 0.00 54.13 55.12 2kpn s LEU 34 Cb -0.08 0.29 0.02 0.00 -0.43 0.00 0.00 46.19 45.98 2kpn s LEU 34 CO -0.00 -0.11 -0.13 0.00 -0.29 0.00 0.00 176.35 175.81 2kpn s ALA 35 N 0.82 1.55 -0.03 5.97 0.00 -1.26 -0.56 121.76 128.24 2kpn s ALA 35 Ca -0.06 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2kpn s ALA 35 Cb -0.08 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.26 2kpn s ALA 35 CO -0.04 -0.09 -0.05 0.42 0.00 0.00 0.00 175.76 176.00 2kpn s ILE 36 N 1.03 0.55 -0.16 0.00 -1.09 -0.56 -0.76 121.20 120.21 2kpn s ILE 36 Ca -0.06 -0.17 -0.04 0.00 -2.23 0.00 0.00 60.65 58.14 2kpn s ILE 36 Cb -0.15 -0.54 -0.03 0.00 -1.58 0.00 0.00 42.46 40.16 2kpn s ILE 36 CO -0.02 0.21 -0.02 -0.62 -1.23 0.00 0.00 174.94 173.27 2kpn s ASP 37 N 0.65 4.96 0.53 3.58 -1.08 -0.25 -0.21 116.67 124.85 2kpn s ASP 37 Ca -0.09 -0.09 0.18 0.00 -0.52 0.00 0.00 52.55 52.04 2kpn s ASP 37 Cb -0.12 -1.82 1.35 0.00 -1.46 0.00 0.00 42.92 40.87 2kpn s ASP 37 CO 0.00 0.16 2.16 0.50 0.52 0.00 0.00 175.17 178.52 2kpn h LYS 38 N 6.74 0.00 0.08 4.34 3.64 -1.89 0.40 116.57 129.87 2kpn h LYS 38 Ca -0.32 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 2kpn h LYS 38 Cb 1.19 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2kpn h LYS 38 CO 0.64 0.01 -0.56 1.05 -2.27 0.00 0.00 179.45 178.32 2kpn h GLU 39 N 0.00 0.25 0.01 1.90 4.11 -1.95 -3.41 114.58 115.49 2kpn h GLU 39 Ca -0.00 -0.37 -0.34 0.00 0.07 0.00 0.00 59.36 58.73 2kpn h GLU 39 Cb 0.02 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2kpn h GLU 39 CO 0.00 1.14 -1.86 -3.47 0.07 0.00 0.00 179.01 174.89 2kpn n ASP 40 N -4.27 1.93 0.00 3.06 -0.08 -1.00 -5.11 116.55 111.08 2kpn n ASP 40 Ca -0.12 0.34 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 2kpn n ASP 40 Cb 0.70 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 43.28 2kpn n ASP 40 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kpn n GLY 41 N 1.46 0.17 3.66 0.27 0.00 0.14 -5.00 105.19 105.88 2kpn n GLY 41 Ca -0.41 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 2kpn n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kpn s ASP 42 N -4.00 6.83 -0.06 1.61 2.15 -1.26 -1.09 116.67 120.85 2kpn s ASP 42 Ca 0.00 1.86 0.10 0.00 0.43 0.00 0.00 52.55 54.94 2kpn s ASP 42 Cb 0.00 -2.54 0.19 0.00 -0.30 0.00 0.00 42.92 40.28 2kpn s ASP 42 CO 0.00 -0.83 1.12 0.18 -0.17 0.00 0.00 175.17 175.47 2kpn n LEU 43 N 6.85 2.42 0.02 -1.34 4.77 0.07 -4.75 117.00 125.03 2kpn n LEU 43 Ca 0.15 -2.49 0.04 0.00 -0.03 0.00 0.00 56.01 53.68 2kpn n LEU 43 Cb 0.44 -0.24 0.44 0.00 -2.33 0.00 0.00 43.42 41.74 2kpn n LEU 43 CO 0.58 0.62 1.16 0.74 -1.33 0.00 0.00 177.39 179.16 2kpn h THR 44 N 0.41 1.10 0.00 -5.08 2.02 -1.79 0.48 112.91 110.04 2kpn h THR 44 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2kpn h THR 44 Cb 0.80 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 2kpn h THR 44 CO 0.02 0.09 0.00 -1.28 0.37 0.00 0.00 175.52 174.73 2kpn h SER 45 N 0.52 0.00 -0.29 4.18 0.87 -1.90 -2.52 113.55 114.40 2kpn h SER 45 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2kpn h SER 45 Cb -0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 2kpn h SER 45 CO -0.03 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.56 2kpn n LYS 46 N -2.57 1.94 -2.85 2.24 5.02 0.15 -4.90 118.16 117.21 2kpn n LYS 46 Ca 0.02 -1.43 -0.41 0.00 -2.02 0.00 0.00 58.31 54.47 2kpn n LYS 46 Cb 0.26 -1.39 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.62 4.66 -0.16 -0.18 1.01 -0.95 -3.74 121.20 120.22 2kpn s ILE 47 Ca 0.32 1.86 -0.02 0.00 0.00 0.00 0.00 60.65 62.81 2kpn s ILE 47 Cb 0.17 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.41 2kpn s ILE 47 CO 0.25 0.32 -0.09 -0.75 0.00 0.00 0.00 174.94 174.66 2kpn s LYS 48 N 0.12 3.43 -0.24 2.79 2.20 0.51 -4.94 119.74 123.61 2kpn s LYS 48 Ca 0.43 -0.64 -0.12 0.00 -0.36 0.00 0.00 55.97 55.28 2kpn s LYS 48 Cb -0.22 -2.79 -0.05 0.00 -1.51 0.00 0.00 37.83 33.27 2kpn s LYS 48 CO 0.26 0.09 0.22 0.08 -0.36 0.00 0.00 175.35 175.65 2kpn s VAL 49 N 0.69 5.31 -0.02 4.02 1.01 -1.26 -1.89 120.40 128.26 2kpn s VAL 49 Ca -0.05 0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.26 2kpn s VAL 49 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2kpn s VAL 49 CO 0.02 0.31 -0.05 -0.62 0.00 0.00 0.00 175.10 174.76 2kpn s ASP 50 N 1.16 4.77 0.00 3.32 2.15 0.55 -4.97 116.67 123.64 2kpn s ASP 50 Ca 0.10 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.01 2kpn s ASP 50 Cb -0.14 -1.17 0.00 0.00 -0.30 0.00 0.00 42.92 41.31 2kpn s ASP 50 CO 0.06 0.30 0.00 0.61 -0.17 0.00 0.00 175.17 175.97 2kpn n GLY 51 N 1.68 0.52 3.24 2.66 0.00 -1.26 -0.94 105.19 111.09 2kpn n GLY 51 Ca -0.16 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 43.91 2kpn n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kpn s GLU 52 N -2.32 0.74 -0.05 1.61 -1.05 -1.26 -4.93 118.70 111.43 2kpn s GLU 52 Ca 0.00 -0.37 0.06 0.00 -0.15 0.00 0.00 54.97 54.51 2kpn s GLU 52 Cb 0.00 0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 34.00 2kpn s GLU 52 CO 0.00 -0.22 -0.23 0.08 0.95 0.00 0.00 175.26 175.84 2kpn s VAL 53 N -1.99 1.88 0.05 1.83 1.01 -1.26 -4.66 120.40 117.26 2kpn s VAL 53 Ca -0.09 -0.98 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 2kpn s VAL 53 Cb -0.03 -1.60 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 2kpn s VAL 53 CO 0.00 0.53 0.68 -1.81 0.00 0.00 0.00 175.10 174.50 2kpn s ASP 54 N -0.15 7.13 0.00 3.32 1.11 -1.26 -4.96 116.67 121.86 2kpn s ASP 54 Ca -0.03 1.34 0.16 0.00 0.18 0.00 0.00 52.55 54.20 2kpn s ASP 54 Cb -0.13 -2.42 0.26 0.00 1.07 0.00 0.00 42.92 41.70 2kpn s ASP 54 CO 0.03 0.11 1.16 0.35 1.18 0.00 0.00 175.17 178.00 2kpn n THR 55 N 2.48 0.40 0.32 -1.27 -2.24 -1.26 -4.41 114.28 108.30 2kpn n THR 55 Ca -0.06 -0.70 0.04 0.00 -2.27 0.00 0.00 64.05 61.06 2kpn n THR 55 Cb 0.50 1.00 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 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 0.95 0.00 -4.33 4.28 -2.24 -1.26 -0.64 114.28 111.04 2kpn n THR 56 Ca 0.13 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 2kpn n THR 56 Cb 0.45 0.88 -0.16 0.00 -2.10 0.00 0.00 70.33 69.40 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 -1.92 1.02 0.35 -0.78 2.47 -1.26 -4.98 119.74 114.63 2kpn s LYS 57 Ca 0.02 -0.24 -0.27 0.00 -1.56 0.00 0.00 55.97 53.92 2kpn s LYS 57 Cb 0.06 -0.94 -0.09 0.00 -1.46 0.00 0.00 37.83 35.40 2kpn s LYS 57 CO 0.34 0.02 1.19 0.00 0.16 0.00 0.00 175.35 177.07 2kpn s ALA 58 N 0.54 3.32 0.00 3.13 0.00 -1.26 -4.80 121.76 122.70 2kpn s ALA 58 Ca -0.08 1.04 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2kpn s ALA 58 Cb -0.12 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2kpn s ALA 58 CO 0.01 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2kpn n GLY 59 N 0.83 2.40 3.73 0.00 0.00 -0.37 -4.95 105.19 106.82 2kpn n GLY 59 Ca 0.02 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.99 5.23 -0.01 2.61 2.01 -1.26 -0.48 115.64 121.74 2kpn s THR 60 Ca 0.00 0.80 0.05 0.00 0.31 0.00 0.00 61.69 62.85 2kpn s THR 60 Cb 0.00 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 2kpn s THR 60 CO 0.00 0.36 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.83 2kpn s TYR 61 N 0.49 1.38 -0.08 4.92 2.02 0.85 -4.99 117.35 121.94 2kpn s TYR 61 Ca 0.22 -0.27 -0.02 0.00 -0.37 0.00 0.00 57.07 56.63 2kpn s TYR 61 Cb -0.14 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.49 2kpn s TYR 61 CO 0.08 -0.03 0.03 0.08 -1.57 0.00 0.00 175.55 174.14 2kpn s VAL 62 N -0.34 4.50 -0.02 0.71 1.01 -1.26 -0.93 120.40 124.08 2kpn s VAL 62 Ca 0.05 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2kpn s VAL 62 Cb -0.06 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.39 2kpn s VAL 62 CO -0.00 0.58 -0.15 -0.76 0.00 0.00 0.00 175.10 174.76 2kpn s LEU 63 N -0.99 2.01 -0.03 3.92 1.43 -0.31 -4.15 118.68 120.56 2kpn s LEU 63 Ca 0.14 -0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2kpn s LEU 63 Cb -0.11 -0.79 -0.02 0.00 0.03 0.00 0.00 46.19 45.29 2kpn s LEU 63 CO 0.04 0.18 -0.25 -0.89 0.23 0.00 0.00 176.35 175.65 2kpn s THR 64 N -0.29 2.00 -0.09 5.49 2.01 -0.12 -0.68 115.64 123.97 2kpn s THR 64 Ca 0.04 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 60.99 2kpn s THR 64 Cb -0.07 -1.66 0.02 0.00 0.01 0.00 0.00 72.50 70.80 2kpn s THR 64 CO -0.00 0.56 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.06 2kpn s TYR 65 N -0.52 1.58 -0.03 4.92 2.02 0.69 -0.33 117.35 125.68 2kpn s TYR 65 Ca 0.08 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 56.13 2kpn s TYR 65 Cb -0.10 -1.18 0.00 0.00 -0.40 0.00 0.00 41.96 40.28 2kpn s TYR 65 CO -0.00 -0.37 -0.09 0.99 -1.57 0.00 0.00 175.55 174.50 2kpn s THR 66 N 0.97 0.79 -0.02 -0.71 2.01 -0.79 -0.61 115.64 117.27 2kpn s THR 66 Ca -0.08 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.59 2kpn s THR 66 Cb -0.15 -0.71 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 2kpn s THR 66 CO -0.00 0.25 -0.12 0.54 -0.69 0.00 0.00 174.62 174.60 2kpn s VAL 67 N 0.26 0.97 -0.18 3.82 0.11 -0.31 -0.36 120.40 124.71 2kpn s VAL 67 Ca -0.04 -0.49 -0.06 0.00 -2.93 0.00 0.00 61.98 58.46 2kpn s VAL 67 Cb -0.09 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2kpn s VAL 67 CO 0.01 0.29 0.02 -0.89 -3.33 0.00 0.00 175.10 171.19 2kpn s THR 68 N -0.05 4.30 0.42 5.04 2.01 -1.25 -1.53 115.64 124.58 2kpn s THR 68 Ca 0.00 -0.20 -0.18 0.00 0.31 0.00 0.00 61.69 61.62 2kpn s THR 68 Cb -0.07 -2.93 -0.10 0.00 0.01 0.00 0.00 72.50 69.41 2kpn s THR 68 CO 0.00 0.45 0.90 -0.62 -0.69 0.00 0.00 174.62 174.66 2kpn s ASP 69 N 0.62 6.83 0.42 3.53 2.15 0.39 -4.96 116.67 125.64 2kpn s ASP 69 Ca 0.01 1.55 0.10 0.00 0.43 0.00 0.00 52.55 54.64 2kpn s ASP 69 Cb -0.14 -2.49 0.92 0.00 -0.30 0.00 0.00 42.92 40.92 2kpn s ASP 69 CO 0.02 -0.36 2.02 0.28 -0.17 0.00 0.00 175.17 176.95 2kpn h SER 70 N 1.79 0.44 0.61 -0.34 0.02 -1.95 -1.07 113.55 113.05 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 1.18 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2kpn h SER 70 CO 0.62 0.30 -0.25 0.29 -1.14 0.00 0.00 176.83 176.65 2kpn n LYS 71 N -4.47 0.20 0.00 3.45 4.76 -1.26 -4.93 118.16 115.91 2kpn n LYS 71 Ca 0.07 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2kpn n LYS 71 Cb 0.21 -1.50 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 1.44 1.47 3.52 0.72 0.00 -0.40 -5.09 105.19 106.84 2kpn n GLY 72 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 2.98 -0.31 1.61 3.76 -1.25 -4.87 115.29 115.21 2kpn s HIS 73 Ca 0.00 -0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 54.80 2kpn s HIS 73 Cb 0.00 -3.64 0.01 0.00 1.11 0.00 0.00 32.58 30.06 2kpn s HIS 73 CO 0.00 -1.03 0.09 -2.00 -0.85 0.00 0.00 174.74 170.95 2kpn s GLU 74 N 3.20 3.02 0.25 1.40 2.12 -1.26 -0.47 118.70 126.96 2kpn s GLU 74 Ca 0.26 -0.91 0.09 0.00 0.36 0.00 0.00 54.97 54.77 2kpn s GLU 74 Cb -0.14 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2kpn s GLU 74 CO 0.19 -0.49 0.00 0.14 -0.54 0.00 0.00 175.26 174.57 2kpn s VAL 75 N 1.49 3.52 0.01 3.70 -7.23 -0.58 -4.97 120.40 116.35 2kpn s VAL 75 Ca 0.02 -1.82 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 2kpn s VAL 75 Cb -0.18 -2.87 0.01 0.00 0.56 0.00 0.00 36.38 33.91 2kpn s VAL 75 CO 0.03 -0.33 0.22 0.28 -0.31 0.00 0.00 175.10 174.98 2kpn s THR 76 N -2.22 0.08 0.11 5.32 -1.32 -1.26 -1.17 115.64 115.19 2kpn s THR 76 Ca 0.31 -0.70 -0.10 0.00 -1.21 0.00 0.00 61.69 59.99 2kpn s THR 76 Cb -0.07 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.24 2kpn s THR 76 CO 0.20 -0.38 0.25 0.00 -2.21 0.00 0.00 174.62 172.47 2kpn s ALA 77 N -1.85 -0.29 0.15 11.08 0.00 0.22 -5.00 121.76 126.07 2kpn s ALA 77 Ca -0.11 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 51.31 2kpn s ALA 77 Cb -0.04 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2kpn s ALA 77 CO 0.00 -0.57 -0.11 0.15 0.00 0.00 0.00 175.76 175.23 2kpn s LYS 78 N -3.88 1.10 -0.05 0.00 1.02 -1.26 -0.22 119.74 116.45 2kpn s LYS 78 Ca 0.08 -1.46 0.01 0.00 0.02 0.00 0.00 55.97 54.62 2kpn s LYS 78 Cb 0.04 -0.72 0.02 0.00 -0.52 0.00 0.00 37.83 36.65 2kpn s LYS 78 CO -0.08 0.10 -0.05 -1.14 -0.92 0.00 0.00 175.35 173.26 2kpn s GLN 79 N -3.65 0.88 -0.45 1.68 0.74 0.15 -4.25 119.66 114.76 2kpn s GLN 79 Ca 0.17 -0.11 -0.16 0.00 0.05 0.00 0.00 55.36 55.32 2kpn s GLN 79 Cb 0.01 -0.90 0.05 0.00 1.10 0.00 0.00 33.01 33.27 2kpn s GLN 79 CO 0.02 -0.10 0.37 0.99 -0.55 0.00 0.00 175.29 176.02 2kpn s THR 80 N 1.03 5.22 -0.05 -0.34 2.01 -0.19 -1.16 115.64 122.16 2kpn s THR 80 Ca -0.09 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 60.98 2kpn s THR 80 Cb -0.14 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 2kpn s THR 80 CO -0.00 -0.47 0.27 -0.69 -0.69 0.00 0.00 174.62 173.03 2kpn s VAL 81 N 1.74 5.29 -0.10 3.82 1.01 -0.10 -1.28 120.40 130.78 2kpn s VAL 81 Ca 0.05 0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.45 2kpn s VAL 81 Cb -0.21 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.64 2kpn s VAL 81 CO 0.09 0.54 -0.06 -0.89 0.00 0.00 0.00 175.10 174.78 2kpn s THR 82 N -1.11 0.83 -0.17 3.92 2.01 -0.20 -0.11 115.64 120.82 2kpn s THR 82 Ca 0.21 -0.18 -0.08 0.00 0.31 0.00 0.00 61.69 61.95 2kpn s THR 82 Cb -0.14 -0.89 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 2kpn s THR 82 CO 0.10 0.33 0.11 -0.69 -0.69 0.00 0.00 174.62 173.78 2kpn s VAL 83 N 1.69 5.25 0.12 3.82 1.01 0.36 -0.79 120.40 131.87 2kpn s VAL 83 Ca 0.03 0.12 0.10 0.00 0.00 0.00 0.00 61.98 62.24 2kpn s VAL 83 Cb -0.13 -3.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2kpn s VAL 83 CO -0.06 0.51 -0.26 -0.54 0.00 0.00 0.00 175.10 174.74 2kpn s LYS 84 N -0.13 1.36 0.57 2.72 1.02 0.19 -1.24 119.74 124.23 2kpn s LYS 84 Ca 0.09 -1.31 -0.07 0.00 0.02 0.00 0.00 55.97 54.70 2kpn s LYS 84 Cb -0.12 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.37 2kpn s LYS 84 CO 0.00 0.43 0.91 0.08 -0.92 0.00 0.00 175.35 175.85 2kpn s VAL 85 N -1.07 4.27 0.95 3.17 1.01 -1.26 -0.31 120.40 127.16 2kpn s VAL 85 Ca 0.13 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 2kpn s VAL 85 Cb -0.10 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 32.77 2kpn s VAL 85 CO 0.06 -0.75 1.12 -0.13 0.00 0.00 0.00 175.10 175.40 2kpn s ARG 86 N -4.99 0.72 -0.86 2.72 3.00 -1.26 -4.85 118.95 113.43 2kpn s ARG 86 Ca 0.52 1.39 -0.25 0.00 0.00 0.00 0.00 55.73 57.40 2kpn s ARG 86 Cb -0.11 -1.70 -0.07 0.00 0.00 0.00 0.00 34.95 33.07 2kpn s ARG 86 CO 0.48 -2.78 2.08 -1.21 0.00 0.00 0.00 175.30 173.87 2kpn s GLU 87 N -4.63 2.27 -0.61 3.54 0.41 -1.26 -4.91 118.70 113.51 2kpn s GLU 87 Ca 0.67 -0.04 -0.27 0.00 -0.41 0.00 0.00 54.97 54.92 2kpn s GLU 87 Cb -0.23 -4.97 -0.01 0.00 -1.78 0.00 0.00 34.13 27.14 2kpn s GLU 87 CO 0.59 -3.69 1.72 -1.21 -0.49 0.00 0.00 175.26 172.18 2kpn s GLU 88 N 7.57 2.83 0.08 1.61 2.02 -1.26 -4.97 118.70 126.57 2kpn s GLU 88 Ca 0.77 0.51 -0.31 0.00 0.02 0.00 0.00 54.97 55.96 2kpn s GLU 88 Cb -0.09 -4.31 -0.07 0.00 0.10 0.00 0.00 34.13 29.76 2kpn s GLU 88 CO 0.02 -2.50 1.43 0.08 0.02 0.00 0.00 175.26 174.31 2kpn s VAL 89 N 8.08 3.38 -0.73 2.63 1.01 -1.26 -4.92 120.40 128.59 2kpn s VAL 89 Ca 0.61 0.92 -0.26 0.00 0.00 0.00 0.00 61.98 63.26 2kpn s VAL 89 Cb -0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2kpn s VAL 89 CO 0.21 0.04 1.94 -1.59 0.00 0.00 0.00 175.10 175.71 2kpn s LYS 90 N 1.67 2.53 0.00 2.72 -2.85 -1.26 -4.96 119.74 117.59 2kpn s LYS 90 Ca 0.65 0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.89 2kpn s LYS 90 Cb -0.36 -4.69 0.00 0.00 -2.06 0.00 0.00 37.83 30.72 2kpn s LYS 90 CO 0.29 -3.09 0.00 0.27 0.10 0.00 0.00 175.35 172.92 2kpn n ASN 91 N 13.65 0.00 -4.54 0.03 0.23 -1.26 -4.82 115.26 118.54 2kpn n ASN 91 Ca 0.30 0.00 -0.19 0.00 -0.53 0.00 0.00 54.58 54.16 2kpn n ASN 91 Cb 0.50 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.09 2kpn n ASN 91 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2kpn n ASP 92 N 0.00 1.04 -2.99 0.53 9.92 -1.26 -3.99 116.55 119.80 2kpn n ASP 92 Ca 0.00 -1.09 -0.11 0.00 -0.53 0.00 0.00 54.79 53.06 2kpn n ASP 92 Cb 0.00 -1.36 0.01 0.00 -0.64 0.00 0.00 41.12 39.13 2kpn n ASP 92 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2kpn n LYS 93 N 8.05 -2.33 -2.01 -1.24 4.81 -1.26 -4.87 118.16 119.31 2kpn n LYS 93 Ca 0.52 2.00 -0.43 0.00 -0.87 0.00 0.00 58.31 59.52 2kpn n LYS 93 Cb 0.36 -4.26 -0.03 0.00 0.02 0.00 0.00 35.03 31.12 2kpn n LYS 93 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2kpn s PRO 94 N -2.09 3.41 0.10 1.64 0.02 -1.26 -4.99 135.00 131.84 2kpn s PRO 94 Ca 0.17 1.47 -0.30 0.00 0.02 0.00 0.00 61.00 62.36 2kpn s PRO 94 Cb -0.04 -4.17 -0.06 0.00 0.02 0.00 0.00 34.50 30.25 2kpn s PRO 94 CO 0.69 -1.77 1.09 0.42 -0.33 0.00 0.00 177.00 177.11 2kpn s ILE 95 N 6.62 4.17 0.23 2.83 1.01 -1.26 -5.04 121.20 129.75 2kpn s ILE 95 Ca 0.79 1.70 -0.03 0.00 0.00 0.00 0.00 60.65 63.11 2kpn s ILE 95 Cb -0.23 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 2kpn s ILE 95 CO 0.33 0.22 0.25 -1.48 0.00 0.00 0.00 174.94 174.25 2kpn s LEU 96 N 0.33 1.01 0.00 2.97 0.05 -1.26 -5.28 118.68 116.50 2kpn s LEU 96 Ca 0.52 -1.33 0.26 0.00 0.05 0.00 0.00 54.13 53.63 2kpn s LEU 96 Cb -0.27 0.78 0.55 0.00 -2.05 0.00 0.00 46.19 45.20 2kpn s LEU 96 CO 0.31 -0.96 1.47 -0.62 -0.55 0.00 0.00 176.35 176.00