#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 -2.66 2.85 3.17 0.00 -1.26 -5.03 105.19 102.25 2kpn n GLY 2 Ca 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 46.02 44.43 2kpn n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kpn s ASN 3 N -4.03 0.41 -0.32 1.61 2.20 -1.26 -5.06 114.94 108.48 2kpn s ASN 3 Ca 0.00 -0.04 0.03 0.00 -0.94 0.00 0.00 52.86 51.92 2kpn s ASN 3 Cb 0.00 -0.18 0.32 0.00 -2.00 0.00 0.00 41.25 39.39 2kpn s ASN 3 CO 0.00 -0.06 1.40 0.61 -2.94 0.00 0.00 177.10 176.10 2kpn n GLY 4 N 3.85 -1.58 3.50 0.45 0.00 -1.26 -5.09 105.19 105.06 2kpn n GLY 4 Ca -0.24 0.90 -0.43 0.00 0.00 0.00 0.00 46.02 46.26 2kpn n GLY 4 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kpn s GLU 5 N 0.04 3.56 0.65 1.61 2.02 -1.26 -5.01 118.70 120.31 2kpn s GLU 5 Ca 0.21 -1.40 -0.10 0.00 0.02 0.00 0.00 54.97 53.69 2kpn s GLU 5 Cb 0.29 -5.06 -0.01 0.00 0.10 0.00 0.00 34.13 29.45 2kpn s GLU 5 CO -0.19 -1.97 1.03 0.95 0.02 0.00 0.00 175.26 175.10 2kpn s THR 6 N 3.82 4.04 -0.07 3.63 -4.23 -1.26 -5.08 115.64 116.49 2kpn s THR 6 Ca 0.38 0.56 -0.04 0.00 -1.18 0.00 0.00 61.69 61.41 2kpn s THR 6 Cb -0.03 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 2kpn s THR 6 CO -0.08 -0.82 0.13 -0.55 -0.54 0.00 0.00 174.62 172.76 2kpn s SER 7 N -4.27 6.17 0.50 3.99 0.15 -1.26 -5.10 113.70 113.88 2kpn s SER 7 Ca 0.56 0.36 -0.20 0.00 0.70 0.00 0.00 55.95 57.37 2kpn s SER 7 Cb -0.11 -1.93 -0.08 0.00 -1.71 0.00 0.00 66.02 62.19 2kpn s SER 7 CO 0.51 0.35 1.06 -0.62 1.20 0.00 0.00 173.24 175.74 2kpn s ASP 8 N -1.36 6.20 -0.13 5.45 2.15 -1.26 -5.04 116.67 122.67 2kpn s ASP 8 Ca 0.19 1.99 -0.07 0.00 0.43 0.00 0.00 52.55 55.09 2kpn s ASP 8 Cb -0.12 -2.57 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2kpn s ASP 8 CO 0.09 -0.88 0.11 -0.76 -0.17 0.00 0.00 175.17 173.56 2kpn s LEU 9 N -3.55 4.18 0.53 -1.34 1.43 -1.26 -5.10 118.68 113.56 2kpn s LEU 9 Ca 0.69 0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 53.94 2kpn s LEU 9 Cb -0.18 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 2kpn s LEU 9 CO 0.21 0.35 1.11 -1.61 0.23 0.00 0.00 176.35 176.64 2kpn s GLU 10 N -0.68 3.47 0.22 1.70 8.01 -1.26 -4.64 118.70 125.51 2kpn s GLU 10 Ca 0.13 1.54 -0.31 0.00 0.01 0.00 0.00 54.97 56.34 2kpn s GLU 10 Cb -0.12 -2.03 -0.10 0.00 -4.31 0.00 0.00 34.13 27.57 2kpn s GLU 10 CO 0.03 -0.74 1.48 -1.25 0.01 0.00 0.00 175.26 174.78 2kpn s PRO 11 N -3.28 4.25 -0.55 0.39 0.04 -1.26 -4.82 135.00 129.77 2kpn s PRO 11 Ca 0.71 2.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.80 2kpn s PRO 11 Cb -0.22 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.23 2kpn s PRO 11 CO 0.25 -0.48 1.09 0.21 0.04 0.00 0.00 177.00 178.11 2kpn s LYS 12 N 0.17 3.50 -0.53 4.56 2.47 0.78 -4.83 119.74 125.87 2kpn s LYS 12 Ca 0.63 0.15 -0.22 0.00 -1.56 0.00 0.00 55.97 54.97 2kpn s LYS 12 Cb -0.42 -4.00 0.05 0.00 -1.46 0.00 0.00 37.83 31.99 2kpn s LYS 12 CO 0.39 -1.54 0.81 -1.17 0.16 0.00 0.00 175.35 174.00 2kpn s LEU 13 N 4.51 4.43 -0.45 5.43 2.96 -1.26 -2.34 118.68 131.95 2kpn s LEU 13 Ca 0.40 -0.53 -0.24 0.00 -0.22 0.00 0.00 54.13 53.53 2kpn s LEU 13 Cb -0.09 -2.70 0.03 0.00 0.50 0.00 0.00 46.19 43.93 2kpn s LEU 13 CO 0.25 -1.08 0.87 -0.89 -1.32 0.00 0.00 176.35 174.18 2kpn s THR 14 N 3.41 4.55 -0.08 3.68 2.01 0.19 -4.93 115.64 124.47 2kpn s THR 14 Ca 0.25 0.65 0.02 0.00 0.31 0.00 0.00 61.69 62.92 2kpn s THR 14 Cb -0.15 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 67.99 2kpn s THR 14 CO 0.17 -0.76 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.51 2kpn s VAL 15 N 3.55 1.26 0.71 3.82 1.01 -1.26 -1.87 120.40 127.61 2kpn s VAL 15 Ca 0.34 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 2kpn s VAL 15 Cb -0.11 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.14 2kpn s VAL 15 CO 0.24 0.39 1.18 -2.16 0.00 0.00 0.00 175.10 174.75 2kpn s PRO 16 N 0.83 2.34 0.06 2.72 0.04 -1.26 -4.92 135.00 134.80 2kpn s PRO 16 Ca -0.11 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.57 2kpn s PRO 16 Cb -0.15 -1.87 -0.27 0.00 0.04 0.00 0.00 34.50 32.25 2kpn s PRO 16 CO 0.02 -1.66 1.07 -0.24 0.04 0.00 0.00 177.00 176.22 2kpn h VAL 17 N -0.17 1.41 -2.75 -0.36 3.04 -1.95 -3.36 116.25 112.12 2kpn h VAL 17 Ca -0.47 -3.03 0.06 0.00 -1.01 0.00 0.00 66.70 62.25 2kpn h VAL 17 Cb 1.28 2.87 -0.10 0.00 -2.01 0.00 0.00 31.29 33.33 2kpn h VAL 17 CO 0.51 0.87 0.32 -0.83 -1.01 0.00 0.00 177.57 177.43 2kpn s GLY 18 N -4.76 -0.40 -0.26 3.17 0.00 -1.26 -0.98 107.32 102.84 2kpn s GLY 18 Ca -0.05 0.36 -0.07 0.00 0.00 0.00 0.00 44.72 44.96 2kpn s GLY 18 CO 0.87 0.11 0.53 0.00 0.00 0.00 0.00 173.10 174.62 2kpn s ALA 19 N -3.59 -1.65 -0.21 3.20 0.00 -0.34 -4.89 121.76 114.28 2kpn s ALA 19 Ca 0.06 1.86 -0.13 0.00 0.00 0.00 0.00 51.96 53.76 2kpn s ALA 19 Cb -0.02 -1.63 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 2kpn s ALA 19 CO -0.05 -0.93 0.26 0.99 0.00 0.00 0.00 175.76 176.04 2kpn s THR 20 N 2.76 5.30 0.30 0.00 2.01 -1.26 -0.58 115.64 124.17 2kpn s THR 20 Ca -0.00 0.42 0.05 0.00 0.31 0.00 0.00 61.69 62.47 2kpn s THR 20 Cb -0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 2kpn s THR 20 CO -0.17 0.32 0.22 0.27 -0.69 0.00 0.00 174.62 174.57 2kpn s ILE 21 N 1.02 0.10 0.51 1.82 -4.36 0.04 -4.97 121.20 115.37 2kpn s ILE 21 Ca 0.13 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.56 2kpn s ILE 21 Cb -0.14 -2.49 0.00 0.00 1.25 0.00 0.00 42.46 41.09 2kpn s ILE 21 CO 0.05 0.00 0.19 -1.00 0.24 0.00 0.00 174.94 174.43 2kpn s HIS 22 N -3.60 1.87 -0.01 1.37 3.76 -1.26 -0.05 115.29 117.37 2kpn s HIS 22 Ca 0.38 -0.85 -0.30 0.00 -0.15 0.00 0.00 55.06 54.14 2kpn s HIS 22 Cb 0.04 -1.79 -0.06 0.00 1.11 0.00 0.00 32.58 31.87 2kpn s HIS 22 CO 0.22 -0.07 1.64 0.08 -0.85 0.00 0.00 174.74 175.76 2kpn s VAL 23 N -2.79 3.41 0.00 -0.90 1.01 -0.01 -2.11 120.40 119.00 2kpn s VAL 23 Ca 0.23 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.86 2kpn s VAL 23 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2kpn s VAL 23 CO 0.13 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2kpn n GLY 24 N 4.05 0.58 2.10 4.51 0.00 0.27 -4.87 105.19 111.84 2kpn n GLY 24 Ca 0.16 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 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 1.16 0.22 -4.25 1.61 -0.08 -0.90 -5.09 116.55 109.22 2kpn n ASP 25 Ca 0.00 -1.35 -0.28 0.00 -1.51 0.00 0.00 54.79 51.65 2kpn n ASP 25 Cb 0.00 -0.50 -0.15 0.00 2.34 0.00 0.00 41.12 42.80 2kpn n ASP 25 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2kpn s SER 26 N -3.54 2.59 -0.22 1.67 0.01 -1.26 -4.98 113.70 107.97 2kpn s SER 26 Ca 0.40 -0.42 -0.10 0.00 1.31 0.00 0.00 55.95 57.14 2kpn s SER 26 Cb -0.01 -0.28 0.08 0.00 0.21 0.00 0.00 66.02 66.02 2kpn s SER 26 CO 0.28 0.26 0.50 0.12 0.41 0.00 0.00 173.24 174.81 2kpn s PHE 27 N -0.55 -0.86 -0.42 2.43 5.36 -1.26 -5.06 117.98 117.60 2kpn s PHE 27 Ca 0.08 1.68 0.03 0.00 -0.96 0.00 0.00 56.93 57.76 2kpn s PHE 27 Cb -0.09 0.43 0.12 0.00 -0.34 0.00 0.00 43.02 43.15 2kpn s PHE 27 CO -0.00 -0.47 0.18 0.08 -1.46 0.00 0.00 175.22 173.55 2kpn s VAL 28 N 2.05 1.83 0.32 3.12 1.01 -1.26 -5.00 120.40 122.47 2kpn s VAL 28 Ca -0.07 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 59.37 2kpn s VAL 28 Cb -0.09 -2.30 0.23 0.00 0.00 0.00 0.00 36.38 34.21 2kpn s VAL 28 CO -0.15 -0.77 1.94 1.55 0.00 0.00 0.00 175.10 177.67 2kpn h PRO 29 N 7.06 0.87 0.00 2.72 0.13 -1.98 -1.36 132.00 139.44 2kpn h PRO 29 Ca -0.06 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 2kpn h PRO 29 Cb 0.95 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2kpn h PRO 29 CO 0.55 0.64 0.00 -1.33 -0.23 0.00 0.00 178.00 177.63 2kpn n MET 30 N -4.38 0.94 -0.01 0.86 2.81 -1.26 -1.92 117.12 114.16 2kpn n MET 30 Ca 0.06 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.94 2kpn n MET 30 Cb 0.10 -1.30 -0.00 0.00 -0.71 0.00 0.00 33.22 31.31 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 -0.80 2.04 0.21 3.04 0.00 -0.96 -4.73 120.51 119.31 2kpn n ALA 31 Ca 0.13 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.61 2kpn n ALA 31 Cb 0.06 0.48 0.40 0.00 0.00 0.00 0.00 19.45 20.38 2kpn n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2kpn h GLU 32 N -0.00 0.00 -5.94 0.00 5.08 -1.28 -3.43 114.58 109.01 2kpn h GLU 32 Ca -0.02 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.72 2kpn h GLU 32 Cb 1.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 2kpn h GLU 32 CO -0.00 0.29 -0.36 0.08 -1.00 0.00 0.00 179.01 178.02 2kpn s VAL 33 N -3.63 5.26 0.01 3.13 1.01 -0.81 -4.70 120.40 120.67 2kpn s VAL 33 Ca 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2kpn s VAL 33 Cb 0.10 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 2kpn s VAL 33 CO 0.66 0.36 0.07 -0.22 0.00 0.00 0.00 175.10 175.97 2kpn s LEU 34 N -1.75 1.84 -0.07 3.92 0.20 -0.78 -4.83 118.68 117.21 2kpn s LEU 34 Ca 0.28 -0.31 -0.04 0.00 0.69 0.00 0.00 54.13 54.75 2kpn s LEU 34 Cb -0.13 0.42 0.03 0.00 -0.43 0.00 0.00 46.19 46.08 2kpn s LEU 34 CO 0.16 -0.33 0.16 0.00 -0.29 0.00 0.00 176.35 176.06 2kpn s ALA 35 N -1.36 -0.34 -0.03 5.97 0.00 -1.26 0.52 121.76 125.26 2kpn s ALA 35 Ca -0.15 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2kpn s ALA 35 Cb -0.08 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.62 2kpn s ALA 35 CO 0.00 -0.14 -0.06 0.42 0.00 0.00 0.00 175.76 175.98 2kpn s ILE 36 N 0.89 0.59 0.08 0.00 -1.09 -0.99 -0.19 121.20 120.50 2kpn s ILE 36 Ca -0.07 -0.21 0.05 0.00 -2.23 0.00 0.00 60.65 58.20 2kpn s ILE 36 Cb -0.08 -0.57 -0.04 0.00 -1.58 0.00 0.00 42.46 40.18 2kpn s ILE 36 CO -0.05 0.22 -0.05 -0.62 -1.23 0.00 0.00 174.94 173.21 2kpn s ASP 37 N 0.55 4.73 0.35 3.58 -1.08 0.09 -0.15 116.67 124.74 2kpn s ASP 37 Ca -0.08 -0.26 0.13 0.00 -0.52 0.00 0.00 52.55 51.83 2kpn s ASP 37 Cb -0.11 -1.04 0.64 0.00 -1.46 0.00 0.00 42.92 40.94 2kpn s ASP 37 CO 0.00 0.19 1.76 0.50 0.52 0.00 0.00 175.17 178.14 2kpn h LYS 38 N 3.65 0.00 0.09 4.34 3.64 -1.86 -0.90 116.57 125.52 2kpn h LYS 38 Ca -0.48 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.75 2kpn h LYS 38 Cb 1.17 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2kpn h LYS 38 CO 0.56 0.44 -0.71 1.05 -2.27 0.00 0.00 179.45 178.51 2kpn h GLU 39 N 0.00 0.18 0.01 1.90 4.11 -1.96 -3.41 114.58 115.41 2kpn h GLU 39 Ca -0.00 -0.31 -0.37 0.00 0.07 0.00 0.00 59.36 58.75 2kpn h GLU 39 Cb 0.81 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 2kpn h GLU 39 CO 0.06 1.15 -2.02 -3.47 0.07 0.00 0.00 179.01 174.80 2kpn n ASP 40 N -4.25 1.93 0.00 3.06 2.03 -1.24 -5.10 116.55 112.97 2kpn n ASP 40 Ca -0.16 0.33 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2kpn n ASP 40 Cb 0.73 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 40.27 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 1.42 0.26 3.64 0.27 0.00 -0.34 -4.99 105.19 105.45 2kpn n GLY 41 Ca -0.44 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.19 1.61 -1.08 -1.26 -0.73 116.67 117.73 2kpn s ASP 42 Ca 0.00 1.39 0.15 0.00 -0.52 0.00 0.00 52.55 53.57 2kpn s ASP 42 Cb 0.00 -2.54 0.45 0.00 -1.46 0.00 0.00 42.92 39.37 2kpn s ASP 42 CO 0.00 -1.02 1.34 0.18 0.52 0.00 0.00 175.17 176.20 2kpn n LEU 43 N 7.45 3.44 -0.20 -1.34 4.77 0.73 -4.78 117.00 127.07 2kpn n LEU 43 Ca 0.15 -3.28 0.00 0.00 -0.03 0.00 0.00 56.01 52.85 2kpn n LEU 43 Cb 0.46 -0.53 0.24 0.00 -2.33 0.00 0.00 43.42 41.25 2kpn n LEU 43 CO 0.61 0.87 1.20 0.74 -1.33 0.00 0.00 177.39 179.49 2kpn h THR 44 N 1.07 1.20 0.00 -5.08 2.02 -1.84 0.49 112.91 110.76 2kpn h THR 44 Ca 0.05 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2kpn h THR 44 Cb 1.34 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2kpn h THR 44 CO 0.19 0.20 0.00 -1.20 0.37 0.00 0.00 175.52 175.08 2kpn n SER 45 N -4.40 0.14 -0.69 4.18 7.64 -1.26 -2.96 113.62 116.27 2kpn n SER 45 Ca 0.08 0.52 0.09 0.00 1.01 0.00 0.00 58.87 60.56 2kpn n SER 45 Cb 0.06 -0.56 0.27 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 -1.64 1.88 -2.98 1.43 4.76 0.16 -4.88 118.16 116.89 2kpn n LYS 46 Ca 0.05 -1.35 -0.42 0.00 -2.87 0.00 0.00 58.31 53.72 2kpn n LYS 46 Cb 0.26 -1.36 -0.05 0.00 -1.84 0.00 0.00 35.03 32.04 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 -1.61 4.83 0.06 -0.18 1.01 -1.16 -4.00 121.20 120.17 2kpn s ILE 47 Ca 0.30 1.17 -0.25 0.00 0.00 0.00 0.00 60.65 61.87 2kpn s ILE 47 Cb 0.16 -4.10 -0.06 0.00 0.01 0.00 0.00 42.46 38.47 2kpn s ILE 47 CO 0.23 -0.19 0.77 -0.75 0.00 0.00 0.00 174.94 174.99 2kpn s LYS 48 N 2.86 4.50 -0.02 2.79 2.20 0.14 -4.91 119.74 127.30 2kpn s LYS 48 Ca 0.31 1.08 0.01 0.00 -0.36 0.00 0.00 55.97 57.01 2kpn s LYS 48 Cb -0.14 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.79 2kpn s LYS 48 CO 0.11 0.33 -0.01 0.08 -0.36 0.00 0.00 175.35 175.51 2kpn s VAL 49 N -0.22 4.13 0.02 4.02 1.01 -1.26 -1.07 120.40 127.03 2kpn s VAL 49 Ca 0.38 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2kpn s VAL 49 Cb -0.21 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 2kpn s VAL 49 CO 0.23 0.43 -0.15 -0.62 0.00 0.00 0.00 175.10 175.00 2kpn s ASP 50 N -1.39 1.76 0.00 3.32 2.15 0.10 -5.00 116.67 117.61 2kpn s ASP 50 Ca 0.18 -0.39 0.00 0.00 0.43 0.00 0.00 52.55 52.77 2kpn s ASP 50 Cb -0.11 -0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.36 2kpn s ASP 50 CO 0.08 0.10 0.00 0.61 -0.17 0.00 0.00 175.17 175.79 2kpn n GLY 51 N 2.20 0.08 3.32 2.66 0.00 -1.26 -1.27 105.19 110.92 2kpn n GLY 51 Ca -0.16 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.56 0.49 -0.30 1.61 2.12 -1.26 -4.98 118.70 114.81 2kpn s GLU 52 Ca 0.00 0.65 -0.08 0.00 0.36 0.00 0.00 54.97 55.90 2kpn s GLU 52 Cb 0.00 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.59 2kpn s GLU 52 CO 0.00 -0.08 0.11 0.08 -0.54 0.00 0.00 175.26 174.83 2kpn s VAL 53 N 0.48 4.23 0.13 3.70 1.01 -1.26 -4.88 120.40 123.81 2kpn s VAL 53 Ca -0.02 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 2kpn s VAL 53 Cb -0.04 -3.18 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 2kpn s VAL 53 CO -0.02 0.06 0.85 -1.81 0.00 0.00 0.00 175.10 174.18 2kpn s ASP 54 N 1.54 7.41 -0.17 3.32 1.11 -1.26 -4.98 116.67 123.64 2kpn s ASP 54 Ca 0.03 1.68 0.13 0.00 0.18 0.00 0.00 52.55 54.58 2kpn s ASP 54 Cb -0.17 -2.53 -0.24 0.00 1.07 0.00 0.00 42.92 41.05 2kpn s ASP 54 CO 0.04 0.07 0.17 0.35 1.18 0.00 0.00 175.17 176.98 2kpn n THR 55 N 2.27 1.47 1.72 -1.27 -2.24 -1.26 -4.29 114.28 110.68 2kpn n THR 55 Ca -0.02 -0.80 0.15 0.00 -2.27 0.00 0.00 64.05 61.11 2kpn n THR 55 Cb 0.49 -0.78 0.71 0.00 -2.10 0.00 0.00 70.33 68.65 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 -2.92 0.00 -3.79 4.28 -2.24 -1.26 -0.57 114.28 107.78 2kpn n THR 56 Ca -0.31 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.19 2kpn n THR 56 Cb 1.11 0.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.22 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 -2.02 -0.02 0.37 -0.78 2.47 -1.26 -4.92 119.74 113.58 2kpn s LYS 57 Ca 0.42 0.16 -0.25 0.00 -1.56 0.00 0.00 55.97 54.74 2kpn s LYS 57 Cb 0.21 -0.18 -0.09 0.00 -1.46 0.00 0.00 37.83 36.31 2kpn s LYS 57 CO 0.36 -0.13 1.04 0.00 0.16 0.00 0.00 175.35 176.78 2kpn s ALA 58 N 0.83 3.16 0.00 3.13 0.00 -1.26 -4.74 121.76 122.88 2kpn s ALA 58 Ca -0.07 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2kpn s ALA 58 Cb -0.10 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2kpn s ALA 58 CO -0.02 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 175.99 2kpn n GLY 59 N 0.53 2.46 3.64 0.00 0.00 -0.35 -4.94 105.19 106.52 2kpn n GLY 59 Ca 0.03 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 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 5.21 -0.25 2.61 2.01 -1.26 -0.50 115.64 121.46 2kpn s THR 60 Ca 0.00 0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.60 2kpn s THR 60 Cb 0.00 -3.68 0.06 0.00 0.01 0.00 0.00 72.50 68.89 2kpn s THR 60 CO 0.00 0.23 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.74 2kpn s TYR 61 N 1.56 3.13 -0.48 4.92 2.02 0.16 -4.98 117.35 123.68 2kpn s TYR 61 Ca 0.16 -2.21 -0.22 0.00 -0.37 0.00 0.00 57.07 54.43 2kpn s TYR 61 Cb -0.15 -1.88 0.04 0.00 -0.40 0.00 0.00 41.96 39.57 2kpn s TYR 61 CO 0.08 -0.86 0.73 0.08 -1.57 0.00 0.00 175.55 174.01 2kpn s VAL 62 N 1.15 4.71 0.26 0.71 1.01 -1.26 -1.11 120.40 125.87 2kpn s VAL 62 Ca -0.08 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.84 2kpn s VAL 62 Cb -0.19 -4.33 -0.07 0.00 0.00 0.00 0.00 36.38 31.78 2kpn s VAL 62 CO -0.06 -0.79 0.60 -0.76 0.00 0.00 0.00 175.10 174.09 2kpn s LEU 63 N 3.11 4.12 -0.05 3.92 1.43 0.10 -4.81 118.68 126.51 2kpn s LEU 63 Ca 0.24 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.40 2kpn s LEU 63 Cb -0.15 -3.78 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 2kpn s LEU 63 CO 0.18 -0.12 -0.23 -0.89 0.23 0.00 0.00 176.35 175.52 2kpn s THR 64 N -1.89 1.86 0.02 5.49 2.01 -0.39 -0.91 115.64 121.82 2kpn s THR 64 Ca 0.49 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.60 2kpn s THR 64 Cb -0.11 -1.57 -0.02 0.00 0.01 0.00 0.00 72.50 70.80 2kpn s THR 64 CO 0.21 0.52 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.12 2kpn s TYR 65 N -0.15 2.09 -0.01 4.92 2.02 0.64 0.02 117.35 126.87 2kpn s TYR 65 Ca -0.02 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 2kpn s TYR 65 Cb -0.13 -1.29 0.01 0.00 -0.40 0.00 0.00 41.96 40.16 2kpn s TYR 65 CO 0.03 0.05 -0.00 0.99 -1.57 0.00 0.00 175.55 175.05 2kpn s THR 66 N -0.70 0.11 0.03 -0.71 2.01 -0.23 -1.30 115.64 114.85 2kpn s THR 66 Ca 0.09 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2kpn s THR 66 Cb -0.09 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.24 2kpn s THR 66 CO 0.01 0.08 -0.16 0.54 -0.69 0.00 0.00 174.62 174.40 2kpn s VAL 67 N 0.48 1.27 -0.00 3.82 0.11 -0.86 0.27 120.40 125.49 2kpn s VAL 67 Ca -0.04 -0.97 0.03 0.00 -2.93 0.00 0.00 61.98 58.06 2kpn s VAL 67 Cb -0.07 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 2kpn s VAL 67 CO -0.01 0.13 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.93 2kpn s THR 68 N -0.73 3.68 0.24 5.04 2.01 -1.26 -2.55 115.64 122.08 2kpn s THR 68 Ca 0.04 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.22 2kpn s THR 68 Cb -0.08 -2.60 -0.06 0.00 0.01 0.00 0.00 72.50 69.77 2kpn s THR 68 CO 0.01 0.40 0.54 -0.62 -0.69 0.00 0.00 174.62 174.26 2kpn s ASP 69 N -1.39 6.54 0.56 3.53 -1.08 0.19 -4.97 116.67 120.05 2kpn s ASP 69 Ca 0.17 0.82 0.33 0.00 -0.52 0.00 0.00 52.55 53.34 2kpn s ASP 69 Cb -0.11 -2.18 1.65 0.00 -1.46 0.00 0.00 42.92 40.81 2kpn s ASP 69 CO 0.07 -0.11 2.12 -1.28 0.52 0.00 0.00 175.17 176.49 2kpn h SER 70 N 2.24 0.00 0.30 -0.34 0.87 -1.97 -0.88 113.55 113.77 2kpn h SER 70 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2kpn h SER 70 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2kpn h SER 70 CO 0.68 0.07 -0.33 0.29 -0.53 0.00 0.00 176.83 177.01 2kpn n LYS 71 N -3.40 0.62 0.00 2.24 4.76 -1.26 -4.95 118.16 116.17 2kpn n LYS 71 Ca -0.02 -0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.06 2kpn n LYS 71 Cb 0.22 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 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 1.38 0.71 3.76 0.72 0.00 -0.34 -5.09 105.19 106.33 2kpn n GLY 72 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 3.20 -0.04 1.61 3.76 -1.26 -4.69 115.29 115.87 2kpn s HIS 73 Ca 0.00 1.40 0.01 0.00 -0.15 0.00 0.00 55.06 56.33 2kpn s HIS 73 Cb 0.00 -3.59 0.02 0.00 1.11 0.00 0.00 32.58 30.12 2kpn s HIS 73 CO 0.00 -1.66 -0.06 -2.00 -0.85 0.00 0.00 174.74 170.18 2kpn s GLU 74 N -1.24 0.92 0.16 1.40 -6.30 -1.26 0.53 118.70 112.91 2kpn s GLU 74 Ca 0.50 -0.16 0.04 0.00 -2.50 0.00 0.00 54.97 52.86 2kpn s GLU 74 Cb -0.38 -0.88 -0.05 0.00 0.00 0.00 0.00 34.13 32.83 2kpn s GLU 74 CO 0.47 -0.04 -0.09 0.14 0.02 0.00 0.00 175.26 175.76 2kpn s VAL 75 N 0.75 1.15 -0.00 3.70 -7.23 -1.06 -5.02 120.40 112.69 2kpn s VAL 75 Ca -0.11 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 57.96 2kpn s VAL 75 Cb -0.14 -1.93 -0.00 0.00 0.56 0.00 0.00 36.38 34.87 2kpn s VAL 75 CO 0.01 -0.68 0.07 0.28 -0.31 0.00 0.00 175.10 174.47 2kpn s THR 76 N -3.34 0.07 0.04 5.32 -1.32 -1.26 -2.04 115.64 113.11 2kpn s THR 76 Ca 0.19 -0.55 -0.12 0.00 -1.21 0.00 0.00 61.69 60.00 2kpn s THR 76 Cb 0.03 -0.29 0.01 0.00 -1.51 0.00 0.00 72.50 70.74 2kpn s THR 76 CO 0.02 -0.30 0.26 0.00 -2.21 0.00 0.00 174.62 172.39 2kpn s ALA 77 N -0.97 -0.57 0.24 11.08 0.00 -0.42 -5.00 121.76 126.13 2kpn s ALA 77 Ca -0.11 -0.08 0.10 0.00 0.00 0.00 0.00 51.96 51.88 2kpn s ALA 77 Cb -0.06 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 2kpn s ALA 77 CO 0.00 -0.38 -0.18 0.15 0.00 0.00 0.00 175.76 175.36 2kpn s LYS 78 N -2.46 1.51 -0.01 0.00 1.02 -1.26 -0.26 119.74 118.28 2kpn s LYS 78 Ca -0.06 -1.67 0.01 0.00 0.02 0.00 0.00 55.97 54.27 2kpn s LYS 78 Cb -0.01 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.83 2kpn s LYS 78 CO -0.03 0.27 -0.02 -1.14 -0.92 0.00 0.00 175.35 173.51 2kpn s GLN 79 N -3.52 0.20 -0.43 1.68 0.74 -0.09 -4.61 119.66 113.63 2kpn s GLN 79 Ca 0.26 -0.04 -0.12 0.00 0.05 0.00 0.00 55.36 55.51 2kpn s GLN 79 Cb -0.03 -0.24 0.06 0.00 1.10 0.00 0.00 33.01 33.90 2kpn s GLN 79 CO 0.11 0.01 0.30 0.99 -0.55 0.00 0.00 175.29 176.15 2kpn s THR 80 N 0.19 4.73 -0.04 -0.34 2.01 -0.15 0.03 115.64 122.07 2kpn s THR 80 Ca -0.02 -1.11 -0.10 0.00 0.31 0.00 0.00 61.69 60.77 2kpn s THR 80 Cb -0.04 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2kpn s THR 80 CO -0.01 -0.46 0.28 -0.69 -0.69 0.00 0.00 174.62 173.05 2kpn s VAL 81 N 1.55 5.26 -0.16 3.82 1.01 -0.27 -1.20 120.40 130.42 2kpn s VAL 81 Ca 0.03 0.47 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 2kpn s VAL 81 Cb -0.22 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.64 2kpn s VAL 81 CO 0.05 0.55 -0.00 -0.89 0.00 0.00 0.00 175.10 174.81 2kpn s THR 82 N -1.11 0.69 -0.04 3.92 2.01 0.25 0.37 115.64 121.74 2kpn s THR 82 Ca 0.21 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.63 2kpn s THR 82 Cb -0.14 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.31 2kpn s THR 82 CO 0.10 0.02 0.41 -0.69 -0.69 0.00 0.00 174.62 173.77 2kpn s VAL 83 N 1.81 5.09 0.11 3.82 1.01 0.34 -0.78 120.40 131.79 2kpn s VAL 83 Ca 0.01 0.84 0.09 0.00 0.00 0.00 0.00 61.98 62.92 2kpn s VAL 83 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2kpn s VAL 83 CO -0.07 0.51 -0.23 -0.54 0.00 0.00 0.00 175.10 174.77 2kpn s LYS 84 N -0.59 1.27 0.51 2.72 1.02 0.92 -1.22 119.74 124.37 2kpn s LYS 84 Ca 0.23 -1.21 -0.19 0.00 0.02 0.00 0.00 55.97 54.82 2kpn s LYS 84 Cb -0.16 -1.61 -0.07 0.00 -0.52 0.00 0.00 37.83 35.47 2kpn s LYS 84 CO 0.12 0.38 1.03 0.08 -0.92 0.00 0.00 175.35 176.04 2kpn s VAL 85 N -1.09 3.93 0.17 3.17 1.01 -1.26 -0.83 120.40 125.50 2kpn s VAL 85 Ca 0.09 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.21 2kpn s VAL 85 Cb -0.10 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2kpn s VAL 85 CO 0.05 -0.37 0.15 0.00 0.00 0.00 0.00 175.10 174.93 2kpn s ARG 86 N -3.55 2.93 -0.34 2.72 1.70 -1.26 -4.85 118.95 116.31 2kpn s ARG 86 Ca 0.65 -0.87 -0.18 0.00 -0.47 0.00 0.00 55.73 54.86 2kpn s ARG 86 Cb -0.15 -2.66 -0.01 0.00 -0.57 0.00 0.00 34.95 31.57 2kpn s ARG 86 CO 0.25 0.48 0.53 -1.21 -1.08 0.00 0.00 175.30 174.27 2kpn s GLU 87 N -3.16 3.69 0.46 3.89 2.02 -1.26 -5.07 118.70 119.27 2kpn s GLU 87 Ca 0.31 -0.07 0.05 0.00 0.02 0.00 0.00 54.97 55.28 2kpn s GLU 87 Cb -0.10 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.31 2kpn s GLU 87 CO 0.24 -0.61 0.09 -1.83 0.02 0.00 0.00 175.26 173.17 2kpn s GLU 88 N 2.42 2.14 0.44 1.61 -1.05 -1.26 -5.17 118.70 117.83 2kpn s GLU 88 Ca 0.20 -2.13 0.04 0.00 -0.15 0.00 0.00 54.97 52.93 2kpn s GLU 88 Cb -0.15 -1.74 0.04 0.00 -0.44 0.00 0.00 34.13 31.84 2kpn s GLU 88 CO 0.13 -0.23 0.34 1.33 0.95 0.00 0.00 175.26 177.78 2kpn n VAL 89 N -1.22 0.00 -4.35 1.83 0.24 -1.26 -5.15 118.33 108.42 2kpn n VAL 89 Ca -0.08 -1.74 -0.32 0.00 -2.04 0.00 0.00 64.34 60.16 2kpn n VAL 89 Cb 0.66 -0.14 -0.09 0.00 -1.47 0.00 0.00 33.84 32.80 2kpn n VAL 89 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2kpn s LYS 90 N -3.82 2.64 0.13 7.34 -2.85 -1.26 -5.13 119.74 116.80 2kpn s LYS 90 Ca 0.26 -0.69 -0.17 0.00 -1.00 0.00 0.00 55.97 54.37 2kpn s LYS 90 Cb -0.02 -2.57 0.04 0.00 -2.06 0.00 0.00 37.83 33.22 2kpn s LYS 90 CO 0.16 0.60 0.43 1.21 0.10 0.00 0.00 175.35 177.86 2kpn s ASN 91 N -1.57 -0.28 0.00 0.03 3.84 -1.26 -5.04 114.94 110.66 2kpn s ASN 91 Ca 0.19 -0.28 0.00 0.00 0.21 0.00 0.00 52.86 52.98 2kpn s ASN 91 Cb -0.11 0.50 0.00 0.00 -0.55 0.00 0.00 41.25 41.08 2kpn s ASN 91 CO 0.10 -0.88 1.61 0.47 -2.79 0.00 0.00 177.10 175.61 2kpn n ASP 92 N -0.25 4.34 -2.52 -4.21 9.92 -1.26 -4.83 116.55 117.74 2kpn n ASP 92 Ca -0.16 -2.15 -0.05 0.00 -0.53 0.00 0.00 54.79 51.91 2kpn n ASP 92 Cb 0.64 -0.91 -0.04 0.00 -0.64 0.00 0.00 41.12 40.17 2kpn n ASP 92 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2kpn n LYS 93 N 1.47 -4.15 -0.62 -1.24 5.02 -1.26 -4.79 118.16 112.58 2kpn n LYS 93 Ca 0.00 3.18 -0.06 0.00 -2.02 0.00 0.00 58.31 59.41 2kpn n LYS 93 Cb 0.42 -4.80 -0.09 0.00 -0.02 0.00 0.00 35.03 30.54 2kpn n LYS 93 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2kpn n PRO 94 N 1.47 1.24 -0.17 1.97 -0.02 -1.26 -4.58 135.00 133.65 2kpn n PRO 94 Ca -0.35 -0.53 -0.03 0.00 -2.02 0.00 0.00 63.50 60.57 2kpn n PRO 94 Cb 0.55 -1.67 0.03 0.00 -0.02 0.00 0.00 33.50 32.39 2kpn n PRO 94 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2kpn n ILE 95 N 2.38 1.17 -0.61 4.25 2.08 -1.26 -4.48 119.36 122.89 2kpn n ILE 95 Ca 0.23 -0.26 -0.03 0.00 0.56 0.00 0.00 62.75 63.24 2kpn n ILE 95 Cb 0.58 -0.85 -0.01 0.00 -0.75 0.00 0.00 39.64 38.60 2kpn n ILE 95 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2kpn n LEU 96 N 0.24 5.49 -0.57 1.39 4.32 -1.26 -5.32 117.00 121.28 2kpn n LEU 96 Ca 0.08 -2.61 0.14 0.00 -0.02 0.00 0.00 56.01 53.59 2kpn n LEU 96 Cb 0.62 -1.15 0.44 0.00 -1.62 0.00 0.00 43.42 41.71 2kpn n LEU 96 CO 0.08 1.11 0.82 -0.62 -1.22 0.00 0.00 177.39 177.57