#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 -1.37 3.12 3.17 0.00 -1.26 -4.88 105.19 103.98 2kpn n GLY 2 Ca 0.00 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.73 4.79 -0.40 1.61 0.01 -1.26 -5.08 114.94 110.88 2kpn s ASN 3 Ca 0.00 -1.48 -0.29 0.00 -0.71 0.00 0.00 52.86 50.38 2kpn s ASN 3 Cb 0.00 -1.67 0.01 0.00 0.41 0.00 0.00 41.25 40.00 2kpn s ASN 3 CO 0.00 -0.28 1.43 -0.83 -1.51 0.00 0.00 177.10 175.91 2kpn s GLY 4 N 1.23 1.10 -0.05 0.66 0.00 -1.26 -4.96 107.32 104.04 2kpn s GLY 4 Ca -0.03 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.29 2kpn s GLY 4 CO -0.03 2.79 2.03 1.85 0.00 0.00 0.00 173.10 179.73 2kpn s GLU 5 N 4.92 3.83 0.77 2.90 2.12 -1.26 -4.99 118.70 126.99 2kpn s GLU 5 Ca 0.62 2.40 -0.03 0.00 0.36 0.00 0.00 54.97 58.32 2kpn s GLU 5 Cb -0.14 -4.22 0.15 0.00 0.26 0.00 0.00 34.13 30.18 2kpn s GLU 5 CO 0.32 -1.31 1.06 0.95 -0.54 0.00 0.00 175.26 175.74 2kpn s THR 6 N 5.64 2.06 -0.02 -1.70 -4.23 -1.26 -5.13 115.64 111.00 2kpn s THR 6 Ca 0.91 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.92 2kpn s THR 6 Cb -0.39 -2.54 0.01 0.00 1.34 0.00 0.00 72.50 70.92 2kpn s THR 6 CO 0.39 0.00 -0.02 -0.44 -0.54 0.00 0.00 174.62 174.01 2kpn s SER 7 N -4.80 0.47 -0.38 3.99 0.01 -1.26 -5.12 113.70 106.62 2kpn s SER 7 Ca 0.69 -0.06 -0.15 0.00 1.31 0.00 0.00 55.95 57.74 2kpn s SER 7 Cb -0.04 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2kpn s SER 7 CO 0.46 -0.03 0.35 -0.62 0.41 0.00 0.00 173.24 173.81 2kpn s ASP 8 N 0.49 6.15 -0.01 2.44 2.15 -1.26 -5.01 116.67 121.62 2kpn s ASP 8 Ca -0.05 -0.54 -0.17 0.00 0.43 0.00 0.00 52.55 52.23 2kpn s ASP 8 Cb -0.08 -2.19 -0.06 0.00 -0.30 0.00 0.00 42.92 40.30 2kpn s ASP 8 CO -0.01 -0.41 0.46 -0.76 -0.17 0.00 0.00 175.17 174.28 2kpn s LEU 9 N 1.92 4.45 0.27 -1.34 1.43 -1.26 -5.08 118.68 119.07 2kpn s LEU 9 Ca 0.09 1.01 -0.27 0.00 -1.03 0.00 0.00 54.13 53.93 2kpn s LEU 9 Cb -0.17 -2.69 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 2kpn s LEU 9 CO 0.12 0.24 0.92 -1.83 0.23 0.00 0.00 176.35 176.03 2kpn s GLU 10 N -0.73 4.68 0.44 1.70 -1.05 -1.26 -4.87 118.70 117.61 2kpn s GLU 10 Ca 0.25 1.35 -0.23 0.00 -0.15 0.00 0.00 54.97 56.20 2kpn s GLU 10 Cb -0.17 -3.04 -0.08 0.00 -0.44 0.00 0.00 34.13 30.40 2kpn s GLU 10 CO 0.14 0.41 1.14 -1.25 0.95 0.00 0.00 175.26 176.65 2kpn s PRO 11 N -1.61 3.85 -0.61 -4.83 0.04 -1.26 -4.90 135.00 125.68 2kpn s PRO 11 Ca 0.45 1.73 -0.26 0.00 0.04 0.00 0.00 61.00 62.95 2kpn s PRO 11 Cb -0.22 -2.45 0.04 0.00 0.04 0.00 0.00 34.50 31.91 2kpn s PRO 11 CO 0.27 -0.46 1.09 0.21 0.04 0.00 0.00 177.00 178.16 2kpn s LYS 12 N -2.64 3.33 -0.06 4.56 2.47 0.70 -4.90 119.74 123.21 2kpn s LYS 12 Ca 0.62 -0.18 -0.20 0.00 -1.56 0.00 0.00 55.97 54.65 2kpn s LYS 12 Cb -0.27 -4.09 -0.05 0.00 -1.46 0.00 0.00 37.83 31.96 2kpn s LYS 12 CO 0.33 -1.73 0.56 -1.17 0.16 0.00 0.00 175.35 173.50 2kpn s LEU 13 N 4.65 4.35 -0.24 5.43 2.96 -1.26 -2.12 118.68 132.45 2kpn s LEU 13 Ca 0.34 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 2kpn s LEU 13 Cb -0.11 -2.85 0.05 0.00 0.50 0.00 0.00 46.19 43.79 2kpn s LEU 13 CO 0.19 0.04 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.27 2kpn s THR 14 N 0.22 1.98 -0.04 3.68 2.01 0.10 -5.00 115.64 118.58 2kpn s THR 14 Ca 0.30 -1.43 0.03 0.00 0.31 0.00 0.00 61.69 60.90 2kpn s THR 14 Cb -0.17 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2kpn s THR 14 CO 0.15 0.02 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.28 2kpn s VAL 15 N 1.21 1.14 0.10 3.82 1.01 -1.26 -2.03 120.40 124.39 2kpn s VAL 15 Ca -0.06 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.06 2kpn s VAL 15 Cb -0.19 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.11 2kpn s VAL 15 CO -0.06 0.34 1.52 -2.16 0.00 0.00 0.00 175.10 174.74 2kpn s PRO 16 N 0.21 4.25 0.55 2.72 0.04 -1.26 -4.91 135.00 136.59 2kpn s PRO 16 Ca -0.05 2.22 0.30 0.00 0.04 0.00 0.00 61.00 63.51 2kpn s PRO 16 Cb -0.11 -3.37 1.59 0.00 0.04 0.00 0.00 34.50 32.65 2kpn s PRO 16 CO 0.02 -0.60 2.12 -0.24 0.04 0.00 0.00 177.00 178.34 2kpn h VAL 17 N 4.44 0.44 -1.78 -0.36 3.04 -1.96 -3.39 116.25 116.68 2kpn h VAL 17 Ca -0.42 -0.42 0.11 0.00 -1.01 0.00 0.00 66.70 64.96 2kpn h VAL 17 Cb 1.20 1.29 -0.20 0.00 -2.01 0.00 0.00 31.29 31.57 2kpn h VAL 17 CO 0.90 0.08 0.56 -0.83 -1.01 0.00 0.00 177.57 177.28 2kpn s GLY 18 N -4.18 -0.33 0.06 3.17 0.00 -1.26 -3.26 107.32 101.52 2kpn s GLY 18 Ca -0.03 1.66 -0.14 0.00 0.00 0.00 0.00 44.72 46.22 2kpn s GLY 18 CO 0.56 0.75 0.31 0.00 0.00 0.00 0.00 173.10 174.72 2kpn s ALA 19 N -1.90 -0.69 -0.05 3.20 0.00 0.01 -4.92 121.76 117.41 2kpn s ALA 19 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.92 2kpn s ALA 19 Cb -0.01 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.54 2kpn s ALA 19 CO -0.03 -0.46 -0.04 0.99 0.00 0.00 0.00 175.76 176.22 2kpn s THR 20 N -2.90 0.52 0.39 0.00 2.01 -1.26 -0.84 115.64 113.56 2kpn s THR 20 Ca -0.03 -0.08 0.04 0.00 0.31 0.00 0.00 61.69 61.93 2kpn s THR 20 Cb 0.00 -0.57 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2kpn s THR 20 CO -0.06 0.24 0.12 0.27 -0.69 0.00 0.00 174.62 174.50 2kpn s ILE 21 N 1.14 0.65 0.37 1.82 -4.36 -0.19 -4.96 121.20 115.66 2kpn s ILE 21 Ca -0.07 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.40 2kpn s ILE 21 Cb -0.14 -2.42 -0.06 0.00 1.25 0.00 0.00 42.46 41.09 2kpn s ILE 21 CO -0.01 0.00 0.03 -1.00 0.24 0.00 0.00 174.94 174.20 2kpn s HIS 22 N -3.26 2.54 -0.26 1.37 3.76 -1.26 -0.48 115.29 117.70 2kpn s HIS 22 Ca 0.27 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.38 2kpn s HIS 22 Cb 0.04 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 2kpn s HIS 22 CO 0.15 0.43 1.80 0.08 -0.85 0.00 0.00 174.74 176.34 2kpn s VAL 23 N -2.57 3.47 0.00 -0.90 1.01 0.77 -1.19 120.40 120.99 2kpn s VAL 23 Ca 0.36 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.84 2kpn s VAL 23 Cb 0.03 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2kpn s VAL 23 CO 0.19 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2kpn n GLY 24 N 5.16 0.72 0.00 4.51 0.00 0.22 -4.56 105.19 111.25 2kpn n GLY 24 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.37 -3.73 1.61 -0.08 -0.33 -5.11 116.55 108.54 2kpn n ASP 25 Ca 0.00 -0.66 -0.12 0.00 -1.51 0.00 0.00 54.79 52.50 2kpn n ASP 25 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 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 -1.22 -0.40 -0.03 1.67 0.01 -1.26 -4.88 113.70 107.59 2kpn s SER 26 Ca 0.00 0.76 -0.00 0.00 1.31 0.00 0.00 55.95 58.01 2kpn s SER 26 Cb 0.00 0.72 0.03 0.00 0.21 0.00 0.00 66.02 66.98 2kpn s SER 26 CO 0.00 -0.15 0.02 0.12 0.41 0.00 0.00 173.24 173.64 2kpn s PHE 27 N 0.58 0.21 -0.41 2.43 2.19 -1.26 -5.10 117.98 116.62 2kpn s PHE 27 Ca -0.03 0.07 -0.04 0.00 0.33 0.00 0.00 56.93 57.26 2kpn s PHE 27 Cb -0.05 -0.40 0.10 0.00 -1.31 0.00 0.00 43.02 41.37 2kpn s PHE 27 CO -0.03 -0.14 0.21 0.08 1.83 0.00 0.00 175.22 177.16 2kpn s VAL 28 N 1.31 3.48 0.26 3.12 1.01 -1.26 -4.99 120.40 123.33 2kpn s VAL 28 Ca -0.06 -1.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.01 2kpn s VAL 28 Cb -0.13 -3.31 0.23 0.00 0.00 0.00 0.00 36.38 33.17 2kpn s VAL 28 CO -0.03 -0.63 1.77 -0.65 0.00 0.00 0.00 175.10 175.56 2kpn h PRO 29 N 8.14 0.61 0.00 2.72 0.11 -2.00 -1.82 132.00 139.76 2kpn h PRO 29 Ca -0.16 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2kpn h PRO 29 Cb 1.06 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2kpn h PRO 29 CO 0.71 0.41 0.00 -1.33 -0.21 0.00 0.00 178.00 177.58 2kpn n MET 30 N -4.86 0.91 -0.00 1.05 2.81 -1.26 -2.71 117.12 113.06 2kpn n MET 30 Ca 0.16 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.10 2kpn n MET 30 Cb 0.39 -1.31 -0.08 0.00 -0.71 0.00 0.00 33.22 31.52 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 -0.81 2.98 1.04 3.04 0.00 -0.69 -4.60 120.51 121.47 2kpn n ALA 31 Ca 0.13 -0.30 0.11 0.00 0.00 0.00 0.00 53.44 53.39 2kpn n ALA 31 Cb 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.57 0.76 -4.40 0.00 -0.58 -1.10 -4.97 120.64 108.78 2kpn n GLU 32 Ca 0.00 -0.60 -0.25 0.00 -0.42 0.00 0.00 57.16 55.90 2kpn n GLU 32 Cb 0.24 -1.49 -0.11 0.00 -0.57 0.00 0.00 31.44 29.50 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 -2.65 2.18 -0.09 2.62 1.01 -1.24 -4.37 120.40 117.85 2kpn s VAL 33 Ca 0.16 -2.01 -0.14 0.00 0.00 0.00 0.00 61.98 59.99 2kpn s VAL 33 Cb 0.18 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.55 2kpn s VAL 33 CO 0.65 -0.20 0.37 -0.22 0.00 0.00 0.00 175.10 175.70 2kpn s LEU 34 N -2.71 0.61 -0.07 3.92 0.20 -0.86 -5.00 118.68 114.77 2kpn s LEU 34 Ca 0.19 0.53 -0.04 0.00 0.69 0.00 0.00 54.13 55.51 2kpn s LEU 34 Cb -0.07 1.34 0.03 0.00 -0.43 0.00 0.00 46.19 47.06 2kpn s LEU 34 CO 0.09 -0.26 0.16 0.00 -0.29 0.00 0.00 176.35 176.05 2kpn s ALA 35 N -0.38 -0.33 -0.01 5.97 0.00 -1.26 0.02 121.76 125.77 2kpn s ALA 35 Ca -0.05 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.60 2kpn s ALA 35 Cb -0.03 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2kpn s ALA 35 CO 0.02 -0.15 -0.05 0.42 0.00 0.00 0.00 175.76 176.01 2kpn s ILE 36 N 0.97 0.42 -0.01 0.00 -1.09 -0.90 -0.63 121.20 119.95 2kpn s ILE 36 Ca -0.07 -0.17 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 2kpn s ILE 36 Cb -0.09 -0.39 -0.03 0.00 -1.58 0.00 0.00 42.46 40.37 2kpn s ILE 36 CO -0.05 0.14 -0.17 -0.62 -1.23 0.00 0.00 174.94 173.01 2kpn s ASP 37 N 0.20 3.81 0.32 3.58 -1.08 0.23 -0.21 116.67 123.52 2kpn s ASP 37 Ca -0.02 -0.31 0.13 0.00 -0.52 0.00 0.00 52.55 51.83 2kpn s ASP 37 Cb -0.06 -0.69 0.52 0.00 -1.46 0.00 0.00 42.92 41.23 2kpn s ASP 37 CO -0.00 0.31 1.69 0.11 0.52 0.00 0.00 175.17 177.79 2kpn h LYS 38 N 5.07 0.00 0.11 4.34 1.57 -1.89 0.18 116.57 125.96 2kpn h LYS 38 Ca -0.46 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.10 2kpn h LYS 38 Cb 1.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.46 2kpn h LYS 38 CO 0.49 0.51 -1.08 1.05 -0.57 0.00 0.00 179.45 179.85 2kpn h GLU 39 N 0.00 0.24 0.00 3.15 4.11 -1.95 -3.39 114.58 116.74 2kpn h GLU 39 Ca -0.01 -0.41 -0.31 0.00 0.07 0.00 0.00 59.36 58.70 2kpn h GLU 39 Cb 0.96 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 2kpn h GLU 39 CO 0.07 1.20 -1.90 -3.47 0.07 0.00 0.00 179.01 174.97 2kpn n ASP 40 N -4.07 0.68 0.00 3.06 -0.08 -1.24 -5.08 116.55 109.82 2kpn n ASP 40 Ca -0.20 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.38 2kpn n ASP 40 Cb 0.83 0.20 0.00 0.00 2.34 0.00 0.00 41.12 44.49 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 1.62 0.76 3.69 0.27 0.00 0.64 -4.96 105.19 107.20 2kpn n GLY 41 Ca -0.22 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 6.90 0.00 1.61 2.15 -1.26 -0.60 116.67 121.47 2kpn s ASP 42 Ca 0.00 2.04 0.00 0.00 0.43 0.00 0.00 52.55 55.02 2kpn s ASP 42 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2kpn s ASP 42 CO 0.00 -0.69 0.84 0.18 -0.17 0.00 0.00 175.17 175.33 2kpn n LEU 43 N 5.35 1.68 -0.37 -1.34 4.77 0.19 -4.74 117.00 122.55 2kpn n LEU 43 Ca 0.13 -1.66 0.00 0.00 -0.03 0.00 0.00 56.01 54.44 2kpn n LEU 43 Cb 0.44 -0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.67 2kpn n LEU 43 CO 0.58 0.42 1.28 0.74 -1.33 0.00 0.00 177.39 179.07 2kpn h THR 44 N 0.04 1.17 0.00 -5.08 2.02 -1.53 0.15 112.91 109.67 2kpn h THR 44 Ca 0.00 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2kpn h THR 44 Cb 0.34 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2kpn h THR 44 CO 0.00 0.23 0.00 -0.24 0.37 0.00 0.00 175.52 175.88 2kpn n SER 45 N -4.45 0.50 -1.18 4.18 2.88 -1.26 -2.18 113.62 112.11 2kpn n SER 45 Ca 0.14 0.66 0.12 0.00 -1.33 0.00 0.00 58.87 58.46 2kpn n SER 45 Cb 0.10 -0.76 0.26 0.00 -0.75 0.00 0.00 64.21 63.06 2kpn n SER 45 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kpn n LYS 46 N -2.10 2.52 -2.65 -1.46 5.02 0.50 -4.92 118.16 115.07 2kpn n LYS 46 Ca 0.01 -2.32 -0.43 0.00 -2.02 0.00 0.00 58.31 53.54 2kpn n LYS 46 Cb 0.14 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.37 4.56 -0.01 -0.18 1.01 -0.93 -4.29 121.20 119.99 2kpn s ILE 47 Ca 0.41 1.82 -0.18 0.00 0.00 0.00 0.00 60.65 62.71 2kpn s ILE 47 Cb 0.23 -4.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2kpn s ILE 47 CO 0.32 -0.39 0.49 -0.75 0.00 0.00 0.00 174.94 174.60 2kpn s LYS 48 N 3.52 4.15 -0.06 2.79 2.20 0.99 -4.90 119.74 128.43 2kpn s LYS 48 Ca 0.45 0.54 0.00 0.00 -0.36 0.00 0.00 55.97 56.61 2kpn s LYS 48 Cb -0.13 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.86 2kpn s LYS 48 CO 0.13 0.49 -0.04 0.08 -0.36 0.00 0.00 175.35 175.65 2kpn s VAL 49 N -0.51 3.91 -0.07 4.02 1.01 -1.26 -0.87 120.40 126.63 2kpn s VAL 49 Ca 0.27 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.81 2kpn s VAL 49 Cb -0.17 -2.63 0.02 0.00 0.00 0.00 0.00 36.38 33.60 2kpn s VAL 49 CO 0.14 0.57 -0.06 -0.62 0.00 0.00 0.00 175.10 175.14 2kpn s ASP 50 N -0.92 1.49 0.00 3.32 2.15 0.07 -5.02 116.67 117.77 2kpn s ASP 50 Ca 0.13 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.92 2kpn s ASP 50 Cb -0.11 -0.61 0.00 0.00 -0.30 0.00 0.00 42.92 41.90 2kpn s ASP 50 CO 0.03 -0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 2kpn n GLY 51 N 4.37 2.37 3.37 2.66 0.00 -1.26 -0.67 105.19 116.04 2kpn n GLY 51 Ca -0.19 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.71 0.66 -0.16 1.61 2.12 -1.26 -4.81 118.70 113.15 2kpn s GLU 52 Ca 0.00 0.43 -0.09 0.00 0.36 0.00 0.00 54.97 55.66 2kpn s GLU 52 Cb 0.00 0.31 -0.05 0.00 0.26 0.00 0.00 34.13 34.66 2kpn s GLU 52 CO 0.00 -0.13 0.15 0.08 -0.54 0.00 0.00 175.26 174.82 2kpn s VAL 53 N -0.30 5.43 0.08 3.70 1.01 -1.26 -5.00 120.40 124.06 2kpn s VAL 53 Ca -0.05 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.19 2kpn s VAL 53 Cb -0.03 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 2kpn s VAL 53 CO 0.03 0.51 0.21 1.51 0.00 0.00 0.00 175.10 177.36 2kpn s ASP 54 N -0.24 6.28 -0.33 3.32 1.47 -1.26 -4.99 116.67 120.92 2kpn s ASP 54 Ca 0.12 0.23 0.08 0.00 1.18 0.00 0.00 52.55 54.16 2kpn s ASP 54 Cb -0.12 -1.91 0.59 0.00 -0.34 0.00 0.00 42.92 41.14 2kpn s ASP 54 CO 0.01 0.15 1.64 0.35 0.68 0.00 0.00 175.17 178.00 2kpn n THR 55 N 0.17 2.77 -0.02 2.11 -2.24 -1.26 -4.44 114.28 111.37 2kpn n THR 55 Ca -0.06 -2.29 -0.01 0.00 -2.27 0.00 0.00 64.05 59.42 2kpn n THR 55 Cb 0.52 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.96 0.24 -4.22 4.28 5.66 -1.26 -0.61 114.28 117.42 2kpn n THR 56 Ca 0.41 -0.16 -0.34 0.00 -3.05 0.00 0.00 64.05 60.91 2kpn n THR 56 Cb 1.26 -0.69 -0.15 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.13 3.22 -0.57 1.09 2.20 -1.26 -4.98 119.74 117.31 2kpn s LYS 57 Ca -0.02 -0.72 -0.27 0.00 -0.36 0.00 0.00 55.97 54.60 2kpn s LYS 57 Cb 0.01 -2.74 -0.02 0.00 -1.51 0.00 0.00 37.83 33.58 2kpn s LYS 57 CO 0.17 -0.11 1.79 0.00 -0.36 0.00 0.00 175.35 176.85 2kpn s ALA 58 N 1.14 2.35 0.18 3.13 0.00 -1.26 -4.78 121.76 122.52 2kpn s ALA 58 Ca 0.01 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.19 2kpn s ALA 58 Cb -0.14 -4.24 0.05 0.00 0.00 0.00 0.00 23.12 18.79 2kpn s ALA 58 CO -0.04 -3.60 0.86 0.20 0.00 0.00 0.00 175.76 173.17 2kpn s GLY 59 N 7.34 -0.23 -0.24 0.00 0.00 -1.07 -4.91 107.32 108.21 2kpn s GLY 59 Ca 0.67 0.09 -0.15 0.00 0.00 0.00 0.00 44.72 45.33 2kpn s GLY 59 CO 0.23 0.01 0.36 -1.59 0.00 0.00 0.00 173.10 172.11 2kpn s THR 60 N -3.50 5.20 -0.16 0.90 2.01 -1.26 -0.80 115.64 118.04 2kpn s THR 60 Ca 0.11 0.59 0.00 0.00 0.31 0.00 0.00 61.69 62.70 2kpn s THR 60 Cb -0.03 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.79 2kpn s THR 60 CO 0.02 0.21 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.69 2kpn s TYR 61 N 1.66 2.78 -0.41 4.92 2.02 0.28 -4.94 117.35 123.65 2kpn s TYR 61 Ca 0.16 -1.13 -0.17 0.00 -0.37 0.00 0.00 57.07 55.55 2kpn s TYR 61 Cb -0.15 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 2kpn s TYR 61 CO 0.08 -0.53 0.45 0.08 -1.57 0.00 0.00 175.55 174.06 2kpn s VAL 62 N 0.91 5.07 -0.08 0.71 1.01 -1.26 -1.20 120.40 125.57 2kpn s VAL 62 Ca -0.04 -0.24 -0.22 0.00 0.00 0.00 0.00 61.98 61.49 2kpn s VAL 62 Cb -0.15 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2kpn s VAL 62 CO -0.02 -0.39 0.62 -0.76 0.00 0.00 0.00 175.10 174.55 2kpn s LEU 63 N 2.18 4.31 -0.18 3.92 1.43 0.17 -4.84 118.68 125.68 2kpn s LEU 63 Ca 0.13 1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 54.21 2kpn s LEU 63 Cb -0.17 -2.95 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 2kpn s LEU 63 CO 0.14 -0.06 0.14 -0.89 0.23 0.00 0.00 176.35 175.91 2kpn s THR 64 N 0.64 5.42 -0.06 5.49 2.01 0.15 -0.94 115.64 128.35 2kpn s THR 64 Ca 0.33 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.61 2kpn s THR 64 Cb -0.17 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 2kpn s THR 64 CO 0.16 0.48 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.03 2kpn s TYR 65 N 0.05 2.22 -0.04 4.92 2.02 0.29 -0.75 117.35 126.05 2kpn s TYR 65 Ca 0.10 -0.70 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 2kpn s TYR 65 Cb -0.11 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 40.00 2kpn s TYR 65 CO -0.00 -0.24 -0.03 0.99 -1.57 0.00 0.00 175.55 174.70 2kpn s THR 66 N 0.00 0.38 -0.06 -0.71 2.01 -0.05 -1.55 115.64 115.66 2kpn s THR 66 Ca -0.06 -0.04 0.04 0.00 0.31 0.00 0.00 61.69 61.93 2kpn s THR 66 Cb -0.14 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 71.94 2kpn s THR 66 CO 0.04 0.19 -0.18 0.54 -0.69 0.00 0.00 174.62 174.52 2kpn s VAL 67 N 0.90 1.53 -0.23 3.82 0.11 -1.01 -0.01 120.40 125.51 2kpn s VAL 67 Ca -0.11 -0.74 -0.06 0.00 -2.93 0.00 0.00 61.98 58.14 2kpn s VAL 67 Cb -0.14 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.36 2kpn s VAL 67 CO -0.00 0.44 0.02 -0.89 -3.33 0.00 0.00 175.10 171.34 2kpn s THR 68 N 0.28 3.95 0.50 5.04 2.01 -1.26 -2.42 115.64 123.74 2kpn s THR 68 Ca -0.11 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.39 2kpn s THR 68 Cb -0.14 -2.83 -0.08 0.00 0.01 0.00 0.00 72.50 69.46 2kpn s THR 68 CO 0.04 0.38 1.07 -0.62 -0.69 0.00 0.00 174.62 174.80 2kpn s ASP 69 N 1.50 6.16 0.48 3.53 2.15 -0.15 -4.95 116.67 125.40 2kpn s ASP 69 Ca 0.06 2.02 0.23 0.00 0.43 0.00 0.00 52.55 55.29 2kpn s ASP 69 Cb -0.15 -2.57 1.24 0.00 -0.30 0.00 0.00 42.92 41.15 2kpn s ASP 69 CO 0.01 -0.91 2.01 0.77 -0.17 0.00 0.00 175.17 176.88 2kpn h SER 70 N 1.51 0.00 0.10 -0.34 4.64 -1.96 -1.49 113.55 116.01 2kpn h SER 70 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 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 0.59 0.17 -0.25 0.29 -0.87 0.00 0.00 176.83 176.75 2kpn n LYS 71 N -3.80 1.21 0.00 4.77 4.76 -1.26 -4.96 118.16 118.88 2kpn n LYS 71 Ca -0.02 -0.84 0.00 0.00 -2.87 0.00 0.00 58.31 54.59 2kpn n LYS 71 Cb 0.27 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 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 1.34 1.58 3.41 0.72 0.00 -0.56 -5.09 105.19 106.59 2kpn n GLY 72 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 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 3.14 -0.27 1.61 3.76 -1.25 -4.89 115.29 115.39 2kpn s HIS 73 Ca 0.00 -0.76 -0.04 0.00 -0.15 0.00 0.00 55.06 54.11 2kpn s HIS 73 Cb 0.00 -3.39 0.02 0.00 1.11 0.00 0.00 32.58 30.32 2kpn s HIS 73 CO 0.00 -0.93 0.00 -2.00 -0.85 0.00 0.00 174.74 170.96 2kpn s GLU 74 N 2.14 2.91 0.24 1.40 2.12 -1.26 -0.97 118.70 125.28 2kpn s GLU 74 Ca 0.09 -0.95 0.08 0.00 0.36 0.00 0.00 54.97 54.56 2kpn s GLU 74 Cb -0.22 -3.17 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2kpn s GLU 74 CO 0.09 -0.44 0.07 0.14 -0.54 0.00 0.00 175.26 174.58 2kpn s VAL 75 N 1.39 3.89 0.02 3.70 -7.23 -1.02 -4.99 120.40 116.17 2kpn s VAL 75 Ca 0.01 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2kpn s VAL 75 Cb -0.17 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.69 2kpn s VAL 75 CO -0.01 -0.30 -0.07 0.28 -0.31 0.00 0.00 175.10 174.68 2kpn s THR 76 N -2.12 0.53 0.11 5.32 -1.32 -1.26 -2.39 115.64 114.51 2kpn s THR 76 Ca 0.31 -0.71 -0.10 0.00 -1.21 0.00 0.00 61.69 59.98 2kpn s THR 76 Cb -0.08 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.39 2kpn s THR 76 CO 0.21 -0.14 0.26 0.00 -2.21 0.00 0.00 174.62 172.74 2kpn s ALA 77 N -0.80 -0.34 0.11 11.08 0.00 -0.60 -5.03 121.76 126.19 2kpn s ALA 77 Ca -0.04 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.40 2kpn s ALA 77 Cb -0.06 0.61 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 2kpn s ALA 77 CO 0.00 -0.57 -0.09 0.15 0.00 0.00 0.00 175.76 175.25 2kpn s LYS 78 N -3.87 0.88 -0.08 0.00 1.02 -1.26 -0.55 119.74 115.88 2kpn s LYS 78 Ca 0.07 -1.26 0.01 0.00 0.02 0.00 0.00 55.97 54.81 2kpn s LYS 78 Cb 0.04 -0.46 0.02 0.00 -0.52 0.00 0.00 37.83 36.91 2kpn s LYS 78 CO -0.09 0.05 -0.08 -1.14 -0.92 0.00 0.00 175.35 173.17 2kpn s GLN 79 N -3.25 1.39 -0.43 1.68 0.74 -0.12 -4.63 119.66 115.04 2kpn s GLN 79 Ca 0.09 -0.26 -0.20 0.00 0.05 0.00 0.00 55.36 55.04 2kpn s GLN 79 Cb 0.00 -1.32 0.02 0.00 1.10 0.00 0.00 33.01 32.82 2kpn s GLN 79 CO -0.01 -0.11 0.58 -0.08 -0.55 0.00 0.00 175.29 175.11 2kpn s THR 80 N 1.14 4.91 -0.30 -0.34 -1.32 -1.20 -0.65 115.64 117.89 2kpn s THR 80 Ca -0.06 -0.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.33 2kpn s THR 80 Cb -0.14 -4.15 -0.00 0.00 -1.51 0.00 0.00 72.50 66.70 2kpn s THR 80 CO -0.02 -0.53 0.10 -0.69 -2.21 0.00 0.00 174.62 171.28 2kpn s VAL 81 N 2.60 4.23 -0.24 5.08 1.01 -0.34 -0.81 120.40 131.92 2kpn s VAL 81 Ca 0.19 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 2kpn s VAL 81 Cb -0.15 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 2kpn s VAL 81 CO 0.17 0.10 0.18 -0.89 0.00 0.00 0.00 175.10 174.66 2kpn s THR 82 N 1.55 5.35 -0.12 3.92 2.01 -0.02 -0.56 115.64 127.76 2kpn s THR 82 Ca 0.04 0.22 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 2kpn s THR 82 Cb -0.17 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2kpn s THR 82 CO 0.04 0.33 0.27 -0.69 -0.69 0.00 0.00 174.62 173.88 2kpn s VAL 83 N 1.12 5.30 0.05 3.82 1.01 0.02 -1.02 120.40 130.70 2kpn s VAL 83 Ca 0.08 0.50 0.09 0.00 0.00 0.00 0.00 61.98 62.65 2kpn s VAL 83 Cb -0.14 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2kpn s VAL 83 CO 0.05 0.48 -0.25 -0.54 0.00 0.00 0.00 175.10 174.85 2kpn s LYS 84 N -0.18 1.63 0.30 2.72 1.02 0.37 -2.61 119.74 122.99 2kpn s LYS 84 Ca 0.17 -1.07 -0.27 0.00 0.02 0.00 0.00 55.97 54.81 2kpn s LYS 84 Cb -0.13 -1.81 -0.10 0.00 -0.52 0.00 0.00 37.83 35.27 2kpn s LYS 84 CO 0.05 0.46 0.94 0.08 -0.92 0.00 0.00 175.35 175.97 2kpn s VAL 85 N -0.82 4.18 0.05 3.17 1.01 -1.26 -0.16 120.40 126.56 2kpn s VAL 85 Ca 0.10 1.89 -0.31 0.00 0.00 0.00 0.00 61.98 63.67 2kpn s VAL 85 Cb -0.10 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 2kpn s VAL 85 CO 0.02 0.24 1.34 -0.13 0.00 0.00 0.00 175.10 176.58 2kpn s ARG 86 N -1.81 4.33 0.30 2.72 0.52 -1.26 -4.85 118.95 118.90 2kpn s ARG 86 Ca 0.48 1.94 -0.28 0.00 -0.52 0.00 0.00 55.73 57.34 2kpn s ARG 86 Cb -0.21 -3.42 -0.13 0.00 0.52 0.00 0.00 34.95 31.71 2kpn s ARG 86 CO 0.26 -0.45 1.16 -0.85 0.02 0.00 0.00 175.30 175.44 2kpn n GLU 87 N 4.58 1.72 -3.21 3.54 0.00 -1.26 -4.94 120.64 121.07 2kpn n GLU 87 Ca 0.12 0.60 -0.39 0.00 0.00 0.00 0.00 57.16 57.49 2kpn n GLU 87 Cb 0.44 -2.09 -0.06 0.00 0.00 0.00 0.00 31.44 29.73 2kpn n GLU 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2kpn s GLU 88 N -1.56 4.30 0.29 3.44 1.03 -1.26 -5.08 118.70 119.85 2kpn s GLU 88 Ca 0.58 0.78 0.04 0.00 0.03 0.00 0.00 54.97 56.40 2kpn s GLU 88 Cb -0.65 -3.30 -0.06 0.00 -0.80 0.00 0.00 34.13 29.32 2kpn s GLU 88 CO 0.60 0.47 0.03 0.14 -1.33 0.00 0.00 175.26 175.17 2kpn s VAL 89 N -0.57 1.16 0.06 1.83 -7.23 -1.26 -5.11 120.40 109.28 2kpn s VAL 89 Ca 0.31 -2.03 -0.31 0.00 -1.81 0.00 0.00 61.98 58.15 2kpn s VAL 89 Cb -0.19 -2.61 -0.08 0.00 0.56 0.00 0.00 36.38 34.06 2kpn s VAL 89 CO 0.19 -0.13 1.64 -1.59 -0.31 0.00 0.00 175.10 174.90 2kpn s LYS 90 N -3.87 4.20 -0.37 4.82 -2.85 -1.26 -4.90 119.74 115.51 2kpn s LYS 90 Ca 0.33 2.31 -0.28 0.00 -1.00 0.00 0.00 55.97 57.34 2kpn s LYS 90 Cb 0.07 -3.61 -0.03 0.00 -2.06 0.00 0.00 37.83 32.20 2kpn s LYS 90 CO 0.13 -0.73 1.97 1.21 0.10 0.00 0.00 175.35 178.03 2kpn s ASN 91 N 2.42 5.54 -0.15 0.03 3.84 -1.26 -4.96 114.94 120.39 2kpn s ASN 91 Ca 0.73 1.26 -0.04 0.00 0.21 0.00 0.00 52.86 55.03 2kpn s ASN 91 Cb -0.39 -2.52 -0.03 0.00 -0.55 0.00 0.00 41.25 37.76 2kpn s ASN 91 CO 0.32 -2.00 -0.03 -0.62 -2.79 0.00 0.00 177.10 171.98 2kpn s ASP 92 N 7.57 4.85 -0.46 -4.21 2.15 -1.26 -5.09 116.67 120.23 2kpn s ASP 92 Ca 0.84 -0.11 -0.05 0.00 0.43 0.00 0.00 52.55 53.66 2kpn s ASP 92 Cb -0.23 -1.78 0.12 0.00 -0.30 0.00 0.00 42.92 40.73 2kpn s ASP 92 CO 0.31 0.17 0.28 -0.75 -0.17 0.00 0.00 175.17 175.02 2kpn s LYS 93 N 0.33 2.23 0.00 4.34 2.47 -1.26 -5.09 119.74 122.76 2kpn s LYS 93 Ca -0.03 -1.88 0.00 0.00 -1.56 0.00 0.00 55.97 52.50 2kpn s LYS 93 Cb -0.14 -3.73 0.00 0.00 -1.46 0.00 0.00 37.83 32.50 2kpn s LYS 93 CO 0.03 -1.13 0.00 -0.35 0.16 0.00 0.00 175.35 174.06 2kpn n PRO 94 N 4.59 0.43 -3.23 4.03 -0.04 -1.26 -4.99 135.00 134.53 2kpn n PRO 94 Ca -0.03 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.97 2kpn n PRO 94 Cb 0.41 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.85 2kpn n PRO 94 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kpn s ILE 95 N -0.48 5.42 -0.58 0.52 1.01 -1.26 -5.01 121.20 120.83 2kpn s ILE 95 Ca 0.00 -2.32 -0.26 0.00 0.00 0.00 0.00 60.65 58.07 2kpn s ILE 95 Cb 0.00 -4.56 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 2kpn s ILE 95 CO 0.00 -1.16 2.04 -0.76 0.00 0.00 0.00 174.94 175.06 2kpn s LEU 96 N 0.69 3.32 0.00 2.97 1.43 -1.26 -5.37 118.68 120.46 2kpn s LEU 96 Ca 0.23 0.56 0.27 0.00 -1.03 0.00 0.00 54.13 54.16 2kpn s LEU 96 Cb -0.09 -2.52 1.60 0.00 0.03 0.00 0.00 46.19 45.22 2kpn s LEU 96 CO -0.09 -2.56 1.95 1.21 0.23 0.00 0.00 176.35 177.10