#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpn s GLY 2 N 0.00 0.41 -1.40 3.17 0.00 -1.26 -5.06 107.32 103.18 2kpn s GLY 2 Ca 0.00 -1.05 -0.08 0.00 0.00 0.00 0.00 44.72 43.59 2kpn s GLY 2 CO 0.00 -1.15 2.42 0.70 0.00 0.00 0.00 173.10 175.06 2kpn n ASN 3 N 0.49 7.36 -4.47 1.64 3.02 -1.26 -4.92 115.26 117.11 2kpn n ASN 3 Ca -0.17 -2.98 -0.33 0.00 -0.03 0.00 0.00 54.58 51.07 2kpn n ASN 3 Cb 0.59 -1.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.19 2kpn n ASN 3 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2kpn s GLY 4 N 1.09 1.64 0.19 7.41 0.00 -1.26 -5.11 107.32 111.28 2kpn s GLY 4 Ca 0.55 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 44.26 2kpn s GLY 4 CO -0.07 -0.31 0.41 1.85 0.00 0.00 0.00 173.10 174.99 2kpn s GLU 5 N -0.00 1.31 0.47 2.90 2.12 -1.26 -5.15 118.70 119.09 2kpn s GLU 5 Ca -0.01 -1.07 -0.25 0.00 0.36 0.00 0.00 54.97 54.00 2kpn s GLU 5 Cb -0.14 0.45 -0.08 0.00 0.26 0.00 0.00 34.13 34.63 2kpn s GLU 5 CO 0.03 -0.53 1.43 0.95 -0.54 0.00 0.00 175.26 176.61 2kpn s THR 6 N -3.94 2.01 -0.49 -1.70 -4.23 -1.26 -4.90 115.64 101.12 2kpn s THR 6 Ca 0.15 0.00 -0.27 0.00 -1.18 0.00 0.00 61.69 60.39 2kpn s THR 6 Cb 0.01 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.83 2kpn s THR 6 CO 0.00 0.00 1.79 -0.44 -0.54 0.00 0.00 174.62 175.43 2kpn s SER 7 N -0.54 5.60 -0.22 3.99 0.01 -1.26 -4.95 113.70 116.33 2kpn s SER 7 Ca 0.63 0.72 -0.29 0.00 1.31 0.00 0.00 55.95 58.31 2kpn s SER 7 Cb -0.44 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.25 2kpn s SER 7 CO 0.56 -2.05 1.36 -0.62 0.41 0.00 0.00 173.24 172.91 2kpn s ASP 8 N 6.95 6.72 -0.12 2.44 2.15 -1.26 -5.00 116.67 128.56 2kpn s ASP 8 Ca 0.71 1.52 -0.06 0.00 0.43 0.00 0.00 52.55 55.15 2kpn s ASP 8 Cb -0.16 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 2kpn s ASP 8 CO 0.26 -0.98 0.10 -0.76 -0.17 0.00 0.00 175.17 173.62 2kpn s LEU 9 N 4.17 4.16 0.25 -1.34 1.43 -1.26 -5.10 118.68 120.99 2kpn s LEU 9 Ca 0.59 0.36 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 2kpn s LEU 9 Cb -0.21 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 2kpn s LEU 9 CO 0.21 0.37 1.23 -1.83 0.23 0.00 0.00 176.35 176.57 2kpn s GLU 10 N -0.82 4.47 0.54 1.70 1.03 -1.26 -4.89 118.70 119.46 2kpn s GLU 10 Ca 0.13 2.00 -0.19 0.00 0.03 0.00 0.00 54.97 56.94 2kpn s GLU 10 Cb -0.12 -3.17 -0.06 0.00 -0.80 0.00 0.00 34.13 29.98 2kpn s GLU 10 CO 0.03 -0.08 1.11 -1.25 -1.33 0.00 0.00 175.26 173.74 2kpn s PRO 11 N -0.94 3.40 -0.52 -4.83 0.04 -1.26 -4.93 135.00 125.95 2kpn s PRO 11 Ca 0.51 1.56 -0.26 0.00 0.04 0.00 0.00 61.00 62.84 2kpn s PRO 11 Cb -0.35 -2.02 0.03 0.00 0.04 0.00 0.00 34.50 32.20 2kpn s PRO 11 CO 0.43 -0.80 1.02 0.21 0.04 0.00 0.00 177.00 177.90 2kpn s LYS 12 N -3.32 3.50 -0.40 4.56 2.47 0.69 -4.90 119.74 122.34 2kpn s LYS 12 Ca 0.72 0.12 -0.21 0.00 -1.56 0.00 0.00 55.97 55.03 2kpn s LYS 12 Cb -0.22 -3.98 0.01 0.00 -1.46 0.00 0.00 37.83 32.18 2kpn s LYS 12 CO 0.27 -1.43 0.67 -1.17 0.16 0.00 0.00 175.35 173.84 2kpn s LEU 13 N 4.20 4.33 -0.42 5.43 2.96 -1.26 -1.74 118.68 132.17 2kpn s LEU 13 Ca 0.38 -0.04 -0.18 0.00 -0.22 0.00 0.00 54.13 54.07 2kpn s LEU 13 Cb -0.10 -2.81 0.02 0.00 0.50 0.00 0.00 46.19 43.81 2kpn s LEU 13 CO 0.25 -0.71 0.50 -0.89 -1.32 0.00 0.00 176.35 174.18 2kpn s THR 14 N 2.85 5.01 -0.03 3.68 2.01 0.83 -4.94 115.64 125.05 2kpn s THR 14 Ca 0.25 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.11 2kpn s THR 14 Cb -0.14 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.30 2kpn s THR 14 CO 0.17 -0.45 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.89 2kpn s VAL 15 N 2.35 0.67 0.22 3.82 1.01 -1.26 -2.20 120.40 125.01 2kpn s VAL 15 Ca 0.16 -0.27 -0.30 0.00 0.00 0.00 0.00 61.98 61.57 2kpn s VAL 15 Cb -0.16 -0.62 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 2kpn s VAL 15 CO 0.15 0.23 1.19 -2.16 0.00 0.00 0.00 175.10 174.51 2kpn s PRO 16 N 0.40 4.51 0.35 2.72 0.04 -1.26 -4.95 135.00 136.80 2kpn s PRO 16 Ca -0.06 1.90 0.06 0.00 0.04 0.00 0.00 61.00 62.94 2kpn s PRO 16 Cb -0.10 -3.21 0.64 0.00 0.04 0.00 0.00 34.50 31.87 2kpn s PRO 16 CO 0.00 -0.03 1.87 -0.24 0.04 0.00 0.00 177.00 178.64 2kpn h VAL 17 N 3.53 1.20 -2.56 -0.36 3.04 -1.95 -3.39 116.25 115.76 2kpn h VAL 17 Ca -0.45 -0.85 -0.06 0.00 -1.01 0.00 0.00 66.70 64.33 2kpn h VAL 17 Cb 1.21 1.09 -0.17 0.00 -2.01 0.00 0.00 31.29 31.41 2kpn h VAL 17 CO 0.72 0.28 0.08 -0.83 -1.01 0.00 0.00 177.57 176.80 2kpn s GLY 18 N -3.94 -0.47 -0.10 3.17 0.00 -1.26 -0.91 107.32 103.81 2kpn s GLY 18 Ca -0.07 0.80 -0.04 0.00 0.00 0.00 0.00 44.72 45.41 2kpn s GLY 18 CO 0.76 0.48 0.19 0.00 0.00 0.00 0.00 173.10 174.53 2kpn s ALA 19 N -2.07 -0.29 -0.26 3.20 0.00 -0.90 -4.94 121.76 116.51 2kpn s ALA 19 Ca -0.07 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.44 2kpn s ALA 19 Cb -0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 2kpn s ALA 19 CO 0.02 -0.55 0.31 0.99 0.00 0.00 0.00 175.76 176.53 2kpn s THR 20 N 2.22 5.23 0.38 0.00 2.01 -1.26 -0.64 115.64 123.59 2kpn s THR 20 Ca 0.01 0.45 0.04 0.00 0.31 0.00 0.00 61.69 62.51 2kpn s THR 20 Cb -0.12 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 2kpn s THR 20 CO -0.07 0.22 0.13 0.27 -0.69 0.00 0.00 174.62 174.48 2kpn s ILE 21 N 1.73 0.61 0.17 1.82 -4.36 -0.20 -4.98 121.20 116.00 2kpn s ILE 21 Ca 0.13 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.62 2kpn s ILE 21 Cb -0.15 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 41.09 2kpn s ILE 21 CO 0.09 0.00 -0.23 -1.00 0.24 0.00 0.00 174.94 174.04 2kpn s HIS 22 N -3.28 2.15 -0.18 1.37 3.76 -1.26 0.05 115.29 117.90 2kpn s HIS 22 Ca 0.27 -0.39 -0.33 0.00 -0.15 0.00 0.00 55.06 54.46 2kpn s HIS 22 Cb 0.04 -1.08 -0.10 0.00 1.11 0.00 0.00 32.58 32.54 2kpn s HIS 22 CO 0.15 0.42 2.04 0.28 -0.85 0.00 0.00 174.74 176.79 2kpn n VAL 23 N 0.40 0.44 0.00 -0.90 0.31 0.46 -1.92 118.33 117.12 2kpn n VAL 23 Ca -0.14 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2kpn n VAL 23 Cb 0.56 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 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 5.26 1.45 3.90 2.92 0.00 0.65 -4.70 105.19 114.66 2kpn n GLY 24 Ca 0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 4.75 -0.13 1.61 -1.08 -0.81 -5.13 116.67 113.89 2kpn s ASP 25 Ca 0.00 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 50.95 2kpn s ASP 25 Cb 0.00 0.12 -0.01 0.00 -1.46 0.00 0.00 42.92 41.57 2kpn s ASP 25 CO 0.00 -0.99 -0.14 -0.94 0.52 0.00 0.00 175.17 173.62 2kpn s SER 26 N -4.25 3.88 -0.03 -0.34 1.04 -1.26 -4.96 113.70 107.77 2kpn s SER 26 Ca 0.40 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 2kpn s SER 26 Cb -0.02 -1.58 0.03 0.00 0.10 0.00 0.00 66.02 64.54 2kpn s SER 26 CO 0.24 0.16 0.03 0.12 0.98 0.00 0.00 173.24 174.77 2kpn s PHE 27 N 0.39 0.12 -0.35 5.02 5.36 -1.26 -5.12 117.98 122.14 2kpn s PHE 27 Ca -0.11 0.14 -0.02 0.00 -0.96 0.00 0.00 56.93 55.97 2kpn s PHE 27 Cb -0.16 -0.38 0.08 0.00 -0.34 0.00 0.00 43.02 42.22 2kpn s PHE 27 CO 0.06 -0.14 0.09 0.08 -1.46 0.00 0.00 175.22 173.85 2kpn s VAL 28 N 1.48 3.10 0.28 3.12 1.01 -1.26 -5.00 120.40 123.14 2kpn s VAL 28 Ca -0.04 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.25 2kpn s VAL 28 Cb -0.13 -2.96 0.28 0.00 0.00 0.00 0.00 36.38 33.57 2kpn s VAL 28 CO -0.03 -0.38 1.81 -0.65 0.00 0.00 0.00 175.10 175.84 2kpn h PRO 29 N 8.00 0.84 0.00 2.72 0.11 -2.00 -0.97 132.00 140.71 2kpn h PRO 29 Ca -0.17 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2kpn h PRO 29 Cb 1.05 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.97 2kpn h PRO 29 CO 0.60 0.56 0.00 -1.33 -0.21 0.00 0.00 178.00 177.62 2kpn n MET 30 N -4.70 0.55 0.00 1.05 2.81 -1.26 -2.80 117.12 112.77 2kpn n MET 30 Ca 0.20 0.02 0.11 0.00 -1.81 0.00 0.00 57.70 56.21 2kpn n MET 30 Cb 0.42 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.20 3.20 0.61 3.04 0.00 -0.38 -4.42 120.51 121.35 2kpn n ALA 31 Ca 0.16 -0.50 0.11 0.00 0.00 0.00 0.00 53.44 53.20 2kpn n ALA 31 Cb 0.18 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.12 0.26 -5.07 0.00 -0.58 -1.12 -4.95 120.64 107.05 2kpn n GLU 32 Ca -0.02 -0.06 -0.30 0.00 -0.42 0.00 0.00 57.16 56.37 2kpn n GLU 32 Cb 0.51 -1.52 -0.17 0.00 -0.57 0.00 0.00 31.44 29.69 2kpn n GLU 32 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2kpn s VAL 33 N -3.20 1.80 0.29 2.62 1.01 -1.20 -4.57 120.40 117.15 2kpn s VAL 33 Ca 0.02 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2kpn s VAL 33 Cb 0.15 -1.55 -0.06 0.00 0.00 0.00 0.00 36.38 34.93 2kpn s VAL 33 CO 0.87 0.50 -0.06 -0.76 0.00 0.00 0.00 175.10 175.65 2kpn s LEU 34 N 0.15 2.51 -0.18 3.92 1.02 -0.94 -4.90 118.68 120.26 2kpn s LEU 34 Ca -0.10 -1.20 -0.09 0.00 0.02 0.00 0.00 54.13 52.76 2kpn s LEU 34 Cb -0.15 -0.68 0.07 0.00 0.02 0.00 0.00 46.19 45.45 2kpn s LEU 34 CO 0.05 -0.33 0.43 0.00 0.02 0.00 0.00 176.35 176.52 2kpn s ALA 35 N -2.96 -1.13 -0.01 4.21 0.00 -1.26 -0.12 121.76 120.49 2kpn s ALA 35 Ca 0.30 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.86 2kpn s ALA 35 Cb 0.04 -1.06 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 2kpn s ALA 35 CO 0.13 -0.40 -0.06 0.42 0.00 0.00 0.00 175.76 175.85 2kpn s ILE 36 N 1.73 0.48 -0.04 0.00 -1.09 -0.71 -0.52 121.20 121.06 2kpn s ILE 36 Ca -0.08 -0.24 0.07 0.00 -2.23 0.00 0.00 60.65 58.17 2kpn s ILE 36 Cb -0.09 -0.42 -0.02 0.00 -1.58 0.00 0.00 42.46 40.36 2kpn s ILE 36 CO -0.13 0.14 -0.25 -0.62 -1.23 0.00 0.00 174.94 172.85 2kpn s ASP 37 N -0.05 3.01 0.39 3.58 -1.08 -0.41 -0.22 116.67 121.89 2kpn s ASP 37 Ca 0.01 -0.48 0.09 0.00 -0.52 0.00 0.00 52.55 51.65 2kpn s ASP 37 Cb -0.03 -0.55 0.85 0.00 -1.46 0.00 0.00 42.92 41.72 2kpn s ASP 37 CO -0.00 0.28 1.97 0.50 0.52 0.00 0.00 175.17 178.44 2kpn h LYS 38 N 5.75 0.61 0.09 4.34 3.64 -1.90 0.11 116.57 129.20 2kpn h LYS 38 Ca -0.38 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 58.80 2kpn h LYS 38 Cb 1.15 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 2kpn h LYS 38 CO 0.47 0.40 -0.82 1.05 -2.27 0.00 0.00 179.45 178.28 2kpn h GLU 39 N 0.62 0.18 0.04 1.90 4.11 -1.94 -3.41 114.58 116.09 2kpn h GLU 39 Ca 0.29 -0.32 -0.35 0.00 0.07 0.00 0.00 59.36 59.05 2kpn h GLU 39 Cb 0.33 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.64 2kpn h GLU 39 CO -0.09 1.15 -2.09 -3.47 0.07 0.00 0.00 179.01 174.58 2kpn n ASP 40 N -4.22 1.25 0.00 3.06 2.03 -1.16 -5.08 116.55 112.43 2kpn n ASP 40 Ca -0.18 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.29 2kpn n ASP 40 Cb 0.75 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 2kpn n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kpn n GLY 41 N 1.86 0.73 3.65 0.27 0.00 0.38 -4.96 105.19 107.11 2kpn n GLY 41 Ca -0.30 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 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 6.87 0.00 1.61 2.15 -1.26 -1.29 116.67 120.75 2kpn s ASP 42 Ca 0.00 1.50 0.02 0.00 0.43 0.00 0.00 52.55 54.50 2kpn s ASP 42 Cb 0.00 -2.54 0.05 0.00 -0.30 0.00 0.00 42.92 40.13 2kpn s ASP 42 CO 0.00 -0.85 0.96 0.18 -0.17 0.00 0.00 175.17 175.28 2kpn n LEU 43 N 6.90 1.98 -0.25 -1.34 4.77 0.32 -4.67 117.00 124.72 2kpn n LEU 43 Ca 0.14 -1.81 0.02 0.00 -0.03 0.00 0.00 56.01 54.33 2kpn n LEU 43 Cb 0.46 -0.03 0.25 0.00 -2.33 0.00 0.00 43.42 41.76 2kpn n LEU 43 CO 0.58 0.49 1.24 0.74 -1.33 0.00 0.00 177.39 179.11 2kpn h THR 44 N 0.37 1.15 0.00 -5.08 2.02 -1.40 0.78 112.91 110.74 2kpn h THR 44 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 2kpn h THR 44 Cb 0.46 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2kpn h THR 44 CO 0.00 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 174.54 2kpn n SER 45 N -4.44 0.00 -0.48 4.18 3.41 -1.26 -2.76 113.62 112.27 2kpn n SER 45 Ca 0.10 -0.35 0.06 0.00 -0.26 0.00 0.00 58.87 58.42 2kpn n SER 45 Cb 0.09 -0.14 0.07 0.00 -0.26 0.00 0.00 64.21 63.97 2kpn n SER 45 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kpn n LYS 46 N -1.14 1.01 -2.27 4.33 4.76 0.25 -5.01 118.16 120.10 2kpn n LYS 46 Ca 0.13 -1.34 -0.42 0.00 -2.87 0.00 0.00 58.31 53.81 2kpn n LYS 46 Cb 0.12 -1.22 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 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 -0.94 3.61 -0.20 -0.18 1.01 -1.10 -4.12 121.20 119.28 2kpn s ILE 47 Ca 0.15 1.14 -0.07 0.00 0.00 0.00 0.00 60.65 61.87 2kpn s ILE 47 Cb 0.10 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2kpn s ILE 47 CO 0.14 0.08 0.05 -0.75 0.00 0.00 0.00 174.94 174.47 2kpn s LYS 48 N 1.17 3.86 -0.13 2.79 2.47 0.56 -4.95 119.74 125.51 2kpn s LYS 48 Ca 0.62 -0.40 -0.11 0.00 -1.56 0.00 0.00 55.97 54.53 2kpn s LYS 48 Cb -0.34 -3.21 -0.05 0.00 -1.46 0.00 0.00 37.83 32.77 2kpn s LYS 48 CO 0.30 0.15 0.22 0.08 0.16 0.00 0.00 175.35 176.25 2kpn s VAL 49 N 0.71 5.36 0.06 4.02 1.01 -1.26 -1.10 120.40 129.20 2kpn s VAL 49 Ca 0.03 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.46 2kpn s VAL 49 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2kpn s VAL 49 CO 0.02 0.51 -0.16 -0.62 0.00 0.00 0.00 175.10 174.84 2kpn s ASP 50 N -0.28 1.94 0.00 3.32 2.15 0.42 -5.02 116.67 119.21 2kpn s ASP 50 Ca 0.15 -0.55 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2kpn s ASP 50 Cb -0.13 -0.11 0.00 0.00 -0.30 0.00 0.00 42.92 42.38 2kpn s ASP 50 CO 0.04 0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 2kpn n GLY 51 N 1.56 -1.51 3.64 2.66 0.00 -1.26 -0.78 105.19 109.51 2kpn n GLY 51 Ca -0.19 -2.15 -0.05 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.24 0.53 -0.26 1.61 2.56 -1.26 -5.01 118.70 116.63 2kpn s GLU 52 Ca 0.00 0.90 -0.05 0.00 0.00 0.00 0.00 54.97 55.82 2kpn s GLU 52 Cb 0.00 0.12 0.01 0.00 2.00 0.00 0.00 34.13 36.25 2kpn s GLU 52 CO 0.00 -0.11 0.02 0.08 -0.56 0.00 0.00 175.26 174.69 2kpn s VAL 53 N 1.40 3.59 0.17 3.70 1.01 -1.26 -4.71 120.40 124.31 2kpn s VAL 53 Ca -0.09 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 2kpn s VAL 53 Cb -0.04 -2.78 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 2kpn s VAL 53 CO -0.16 0.21 1.18 -1.81 0.00 0.00 0.00 175.10 174.52 2kpn s ASP 54 N 1.46 7.11 0.00 3.32 1.11 -1.26 -4.94 116.67 123.48 2kpn s ASP 54 Ca 0.03 2.20 0.17 0.00 0.18 0.00 0.00 52.55 55.12 2kpn s ASP 54 Cb -0.16 -2.60 0.13 0.00 1.07 0.00 0.00 42.92 41.35 2kpn s ASP 54 CO -0.00 -0.36 1.03 0.35 1.18 0.00 0.00 175.17 177.37 2kpn n THR 55 N 2.59 0.00 0.63 -1.27 -2.24 -1.26 -4.40 114.28 108.33 2kpn n THR 55 Ca 0.04 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.40 2kpn n THR 55 Cb 0.45 1.35 0.04 0.00 -2.10 0.00 0.00 70.33 70.06 2kpn n THR 55 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2kpn n THR 56 N 0.92 0.00 -3.79 4.28 5.66 -1.26 -0.26 114.28 119.84 2kpn n THR 56 Ca 0.10 -0.44 -0.13 0.00 -3.05 0.00 0.00 64.05 60.53 2kpn n THR 56 Cb 0.42 1.26 -0.14 0.00 -1.55 0.00 0.00 70.33 70.32 2kpn n THR 56 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kpn s LYS 57 N -1.45 0.12 0.33 1.09 2.20 -1.26 -4.91 119.74 115.86 2kpn s LYS 57 Ca 0.15 0.28 -0.28 0.00 -0.36 0.00 0.00 55.97 55.76 2kpn s LYS 57 Cb 0.12 -0.05 -0.10 0.00 -1.51 0.00 0.00 37.83 36.29 2kpn s LYS 57 CO 0.26 -0.09 1.21 0.00 -0.36 0.00 0.00 175.35 176.36 2kpn s ALA 58 N 0.63 3.40 0.00 3.13 0.00 -1.26 -4.86 121.76 122.80 2kpn s ALA 58 Ca -0.05 1.08 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2kpn s ALA 58 Cb -0.06 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2kpn s ALA 58 CO -0.03 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2kpn n GLY 59 N 0.91 2.78 3.64 0.00 0.00 -0.06 -4.95 105.19 107.50 2kpn n GLY 59 Ca 0.00 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 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 5.24 0.02 2.61 2.01 -1.26 -0.50 115.64 121.76 2kpn s THR 60 Ca 0.00 0.50 0.08 0.00 0.31 0.00 0.00 61.69 62.58 2kpn s THR 60 Cb 0.00 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 2kpn s THR 60 CO 0.00 0.24 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.62 2kpn s TYR 61 N 1.56 2.11 -0.17 4.92 2.02 0.85 -4.97 117.35 123.67 2kpn s TYR 61 Ca 0.14 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.41 2kpn s TYR 61 Cb -0.15 -1.30 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 2kpn s TYR 61 CO 0.08 0.06 -0.04 0.08 -1.57 0.00 0.00 175.55 174.17 2kpn s VAL 62 N -0.72 3.76 -0.15 0.71 1.01 -1.26 -0.75 120.40 123.00 2kpn s VAL 62 Ca 0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 2kpn s VAL 62 Cb -0.09 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2kpn s VAL 62 CO 0.01 0.47 0.01 -0.76 0.00 0.00 0.00 175.10 174.83 2kpn s LEU 63 N 0.65 3.52 -0.19 3.92 1.43 -0.30 -4.36 118.68 123.34 2kpn s LEU 63 Ca -0.02 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2kpn s LEU 63 Cb -0.14 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2kpn s LEU 63 CO 0.02 0.22 -0.03 -0.89 0.23 0.00 0.00 176.35 175.91 2kpn s THR 64 N 0.07 3.73 -0.15 5.49 2.01 0.04 -0.50 115.64 126.33 2kpn s THR 64 Ca 0.02 -0.39 -0.02 0.00 0.31 0.00 0.00 61.69 61.61 2kpn s THR 64 Cb -0.13 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 2kpn s THR 64 CO 0.02 0.44 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.01 2kpn s TYR 65 N 0.98 2.95 -0.07 4.92 2.02 0.41 -0.43 117.35 128.12 2kpn s TYR 65 Ca 0.01 -0.44 0.00 0.00 -0.37 0.00 0.00 57.07 56.27 2kpn s TYR 65 Cb -0.14 -1.92 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 2kpn s TYR 65 CO 0.01 -0.11 -0.05 0.99 -1.57 0.00 0.00 175.55 174.81 2kpn s THR 66 N 0.39 0.70 0.01 -0.71 2.01 -0.26 -0.71 115.64 117.07 2kpn s THR 66 Ca -0.06 -0.16 0.07 0.00 0.31 0.00 0.00 61.69 61.85 2kpn s THR 66 Cb -0.15 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 2kpn s THR 66 CO 0.04 0.29 -0.21 0.54 -0.69 0.00 0.00 174.62 174.58 2kpn s VAL 67 N 1.29 2.51 -0.27 3.82 0.11 -0.44 -0.32 120.40 127.09 2kpn s VAL 67 Ca -0.04 -1.12 -0.08 0.00 -2.93 0.00 0.00 61.98 57.81 2kpn s VAL 67 Cb -0.14 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.71 2kpn s VAL 67 CO -0.02 0.46 0.10 -0.89 -3.33 0.00 0.00 175.10 171.42 2kpn s THR 68 N -0.77 4.48 0.52 5.04 2.01 -1.26 -1.93 115.64 123.73 2kpn s THR 68 Ca 0.12 -0.19 -0.19 0.00 0.31 0.00 0.00 61.69 61.73 2kpn s THR 68 Cb -0.10 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.19 2kpn s THR 68 CO 0.02 0.26 1.06 -0.62 -0.69 0.00 0.00 174.62 174.65 2kpn s ASP 69 N 1.63 6.11 0.27 3.53 2.15 0.07 -4.96 116.67 125.46 2kpn s ASP 69 Ca 0.06 1.96 0.25 0.00 0.43 0.00 0.00 52.55 55.25 2kpn s ASP 69 Cb -0.16 -2.56 0.92 0.00 -0.30 0.00 0.00 42.92 40.82 2kpn s ASP 69 CO 0.05 -0.95 1.75 0.77 -0.17 0.00 0.00 175.17 176.63 2kpn h SER 70 N 1.26 0.00 -0.39 -0.34 4.64 -1.96 -2.70 113.55 114.07 2kpn h SER 70 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2kpn h SER 70 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2kpn h SER 70 CO 0.58 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.83 2kpn n LYS 71 N -2.34 2.37 0.00 4.77 4.76 -1.26 -4.97 118.16 121.49 2kpn n LYS 71 Ca 0.03 -2.16 0.00 0.00 -2.87 0.00 0.00 58.31 53.31 2kpn n LYS 71 Cb 0.32 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 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 1.22 1.83 3.22 0.72 0.00 -1.02 -5.09 105.19 106.06 2kpn n GLY 72 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2kpn n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kpn s HIS 73 N -2.00 3.39 -0.47 1.61 3.76 -1.25 -4.94 115.29 115.38 2kpn s HIS 73 Ca 0.00 -1.80 -0.16 0.00 -0.15 0.00 0.00 55.06 52.95 2kpn s HIS 73 Cb 0.00 -2.96 0.07 0.00 1.11 0.00 0.00 32.58 30.80 2kpn s HIS 73 CO 0.00 -0.88 0.44 -2.00 -0.85 0.00 0.00 174.74 171.44 2kpn s GLU 74 N 1.33 3.01 0.14 1.40 2.12 -1.26 -0.75 118.70 124.69 2kpn s GLU 74 Ca 0.03 -1.24 0.05 0.00 0.36 0.00 0.00 54.97 54.18 2kpn s GLU 74 Cb -0.23 -4.12 -0.04 0.00 0.26 0.00 0.00 34.13 30.01 2kpn s GLU 74 CO 0.00 -1.05 0.09 0.14 -0.54 0.00 0.00 175.26 173.90 2kpn s VAL 75 N 1.84 4.32 0.04 3.70 -7.23 -0.81 -4.94 120.40 117.32 2kpn s VAL 75 Ca 0.06 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.18 2kpn s VAL 75 Cb -0.23 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 2kpn s VAL 75 CO 0.08 -0.05 -0.09 0.28 -0.31 0.00 0.00 175.10 175.02 2kpn s THR 76 N -1.65 0.62 -0.01 5.32 -1.32 -1.26 -1.33 115.64 116.02 2kpn s THR 76 Ca 0.30 -0.94 -0.13 0.00 -1.21 0.00 0.00 61.69 59.70 2kpn s THR 76 Cb -0.10 -0.64 0.02 0.00 -1.51 0.00 0.00 72.50 70.26 2kpn s THR 76 CO 0.22 -0.24 0.28 0.00 -2.21 0.00 0.00 174.62 172.66 2kpn s ALA 77 N -1.10 -0.69 0.25 11.08 0.00 0.11 -5.01 121.76 126.40 2kpn s ALA 77 Ca -0.06 0.25 0.12 0.00 0.00 0.00 0.00 51.96 52.27 2kpn s ALA 77 Cb -0.08 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 2kpn s ALA 77 CO 0.01 -0.25 -0.21 0.15 0.00 0.00 0.00 175.76 175.46 2kpn s LYS 78 N -1.28 1.61 -0.09 0.00 1.02 -1.26 -0.45 119.74 119.29 2kpn s LYS 78 Ca -0.13 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.17 2kpn s LYS 78 Cb -0.06 -1.75 0.02 0.00 -0.52 0.00 0.00 37.83 35.53 2kpn s LYS 78 CO 0.04 0.34 -0.08 -1.14 -0.92 0.00 0.00 175.35 173.59 2kpn s GLN 79 N -3.29 1.42 -0.55 1.68 0.74 0.34 -4.60 119.66 115.40 2kpn s GLN 79 Ca 0.27 -0.25 -0.20 0.00 0.05 0.00 0.00 55.36 55.23 2kpn s GLN 79 Cb -0.06 -1.41 0.07 0.00 1.10 0.00 0.00 33.01 32.71 2kpn s GLN 79 CO 0.13 -0.18 0.73 0.99 -0.55 0.00 0.00 175.29 176.41 2kpn s THR 80 N 1.39 4.73 -0.18 -0.34 2.01 -0.09 -1.15 115.64 122.01 2kpn s THR 80 Ca -0.01 -0.48 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 2kpn s THR 80 Cb -0.13 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 67.91 2kpn s THR 80 CO -0.04 -1.00 0.28 -0.69 -0.69 0.00 0.00 174.62 172.48 2kpn s VAL 81 N 3.00 5.31 -0.26 3.82 1.01 0.07 -2.11 120.40 131.23 2kpn s VAL 81 Ca 0.17 0.51 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 2kpn s VAL 81 Cb -0.19 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.60 2kpn s VAL 81 CO 0.11 0.37 -0.04 -0.89 0.00 0.00 0.00 175.10 174.65 2kpn s THR 82 N 0.63 2.98 -0.06 3.92 2.01 0.19 -0.11 115.64 125.21 2kpn s THR 82 Ca 0.15 -1.04 -0.16 0.00 0.31 0.00 0.00 61.69 60.96 2kpn s THR 82 Cb -0.13 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 2kpn s THR 82 CO 0.04 0.16 0.42 -0.69 -0.69 0.00 0.00 174.62 173.86 2kpn s VAL 83 N 1.33 5.11 0.19 3.82 1.01 0.35 -1.04 120.40 131.17 2kpn s VAL 83 Ca -0.00 0.85 0.10 0.00 0.00 0.00 0.00 61.98 62.93 2kpn s VAL 83 Cb -0.17 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2kpn s VAL 83 CO -0.03 0.46 -0.20 -0.54 0.00 0.00 0.00 175.10 174.79 2kpn s LYS 84 N -0.27 1.41 0.44 2.72 1.02 0.11 -0.88 119.74 124.28 2kpn s LYS 84 Ca 0.24 -1.50 -0.22 0.00 0.02 0.00 0.00 55.97 54.51 2kpn s LYS 84 Cb -0.16 -1.56 -0.09 0.00 -0.52 0.00 0.00 37.83 35.51 2kpn s LYS 84 CO 0.11 0.32 1.03 0.08 -0.92 0.00 0.00 175.35 175.97 2kpn s VAL 85 N -1.99 3.84 0.00 3.17 1.01 -1.26 -0.41 120.40 124.76 2kpn s VAL 85 Ca 0.19 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.44 2kpn s VAL 85 Cb -0.06 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2kpn s VAL 85 CO 0.09 -0.13 0.00 0.54 0.00 0.00 0.00 175.10 175.60 2kpn n ARG 86 N -0.49 0.44 -4.30 2.72 1.74 -1.26 -4.83 116.66 110.68 2kpn n ARG 86 Ca 0.07 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.87 2kpn n ARG 86 Cb 0.51 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.79 2kpn n ARG 86 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2kpn s GLU 87 N -2.44 2.11 0.20 5.56 -1.05 -1.26 -5.10 118.70 116.72 2kpn s GLU 87 Ca 0.00 -0.51 -0.01 0.00 -0.15 0.00 0.00 54.97 54.30 2kpn s GLU 87 Cb 0.00 -1.86 -0.04 0.00 -0.44 0.00 0.00 34.13 31.79 2kpn s GLU 87 CO 0.00 -0.12 0.14 -1.83 0.95 0.00 0.00 175.26 174.40 2kpn s GLU 88 N 1.16 1.22 -0.15 -4.83 1.03 -1.26 -5.17 118.70 110.70 2kpn s GLU 88 Ca -0.03 -1.63 0.01 0.00 0.03 0.00 0.00 54.97 53.34 2kpn s GLU 88 Cb -0.14 0.28 0.00 0.00 -0.80 0.00 0.00 34.13 33.46 2kpn s GLU 88 CO -0.04 -0.40 -0.16 0.08 -1.33 0.00 0.00 175.26 173.41 2kpn s VAL 89 N -4.15 2.59 -0.70 1.83 1.01 -1.26 -5.06 120.40 114.66 2kpn s VAL 89 Ca 0.39 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 2kpn s VAL 89 Cb 0.07 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 2kpn s VAL 89 CO 0.12 0.52 2.04 -0.54 0.00 0.00 0.00 175.10 177.24 2kpn s LYS 90 N 0.83 2.39 0.15 2.72 1.02 -1.26 -4.89 119.74 120.70 2kpn s LYS 90 Ca -0.05 0.46 -0.18 0.00 0.02 0.00 0.00 55.97 56.22 2kpn s LYS 90 Cb -0.15 -4.67 0.04 0.00 -0.52 0.00 0.00 37.83 32.53 2kpn s LYS 90 CO -0.01 -3.22 0.48 1.21 -0.92 0.00 0.00 175.35 172.90 2kpn s ASN 91 N 9.10 -0.33 0.12 2.83 2.47 -1.26 -5.14 114.94 122.72 2kpn s ASN 91 Ca 0.76 -0.26 -0.31 0.00 0.42 0.00 0.00 52.86 53.47 2kpn s ASN 91 Cb -0.12 0.53 -0.08 0.00 -1.45 0.00 0.00 41.25 40.13 2kpn s ASN 91 CO 0.14 -0.93 1.39 1.51 -3.72 0.00 0.00 177.10 175.49 2kpn s ASP 92 N -2.80 6.82 -0.22 -4.21 -4.77 -1.26 -5.02 116.67 105.22 2kpn s ASP 92 Ca 0.04 2.34 -0.08 0.00 -3.30 0.00 0.00 52.55 51.54 2kpn s ASP 92 Cb 0.00 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 39.21 2kpn s ASP 92 CO -0.10 -0.65 0.09 -0.75 0.70 0.00 0.00 175.17 174.46 2kpn s LYS 93 N 1.05 3.92 -0.31 2.11 2.47 -1.26 -5.05 119.74 122.67 2kpn s LYS 93 Ca 0.64 -0.36 -0.31 0.00 -1.56 0.00 0.00 55.97 54.38 2kpn s LYS 93 Cb -0.37 -3.34 -0.08 0.00 -1.46 0.00 0.00 37.83 32.58 2kpn s LYS 93 CO 0.31 0.08 2.23 -0.35 0.16 0.00 0.00 175.35 177.78 2kpn n PRO 94 N 4.14 1.47 -2.63 4.03 -0.04 -1.26 -3.91 135.00 136.80 2kpn n PRO 94 Ca -0.16 0.38 -0.04 0.00 -0.04 0.00 0.00 63.50 63.64 2kpn n PRO 94 Cb 0.52 -2.88 -0.03 0.00 -0.04 0.00 0.00 33.50 31.07 2kpn n PRO 94 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2kpn n ILE 95 N 7.53-12.60 -2.27 0.52 5.41 -1.26 -4.87 119.36 111.82 2kpn n ILE 95 Ca 0.36 2.46 -0.43 0.00 1.00 0.00 0.00 62.75 66.14 2kpn n ILE 95 Cb 0.35 -6.69 -0.02 0.00 -0.71 0.00 0.00 39.64 32.57 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 -1.00 3.56 0.00 1.39 1.98 -1.25 -5.29 118.68 118.06 2kpn s LEU 96 Ca -0.19 0.92 0.26 0.00 -2.89 0.00 0.00 54.13 52.23 2kpn s LEU 96 Cb 0.01 -3.53 0.63 0.00 0.66 0.00 0.00 46.19 43.97 2kpn s LEU 96 CO 0.79 -1.51 1.51 -0.62 -1.89 0.00 0.00 176.35 174.63