#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 1.21 -0.01 -5.12 0.00 -1.26 -4.98 107.32 97.16 2kpn s GLY 2 Ca 0.00 -2.10 -0.30 0.00 0.00 0.00 0.00 44.72 42.32 2kpn s GLY 2 CO 0.00 2.65 1.80 -1.31 0.00 0.00 0.00 173.10 176.24 2kpn s ASN 3 N 4.68 6.57 -0.83 1.64 0.01 -1.26 -4.96 114.94 120.79 2kpn s ASN 3 Ca 0.43 2.44 -0.11 0.00 -0.71 0.00 0.00 52.86 54.92 2kpn s ASN 3 Cb -0.02 -2.53 0.22 0.00 0.41 0.00 0.00 41.25 39.32 2kpn s ASN 3 CO -0.05 -0.98 0.75 -0.83 -1.51 0.00 0.00 177.10 174.47 2kpn s GLY 4 N 3.83 2.73 -0.11 0.66 0.00 -1.26 -5.06 107.32 108.11 2kpn s GLY 4 Ca 0.80 -3.41 -0.30 0.00 0.00 0.00 0.00 44.72 41.82 2kpn s GLY 4 CO 0.35 1.23 1.18 1.85 0.00 0.00 0.00 173.10 177.72 2kpn s GLU 5 N -0.14 4.32 -0.54 2.90 2.12 -1.26 -4.99 118.70 121.11 2kpn s GLU 5 Ca 0.20 1.61 -0.28 0.00 0.36 0.00 0.00 54.97 56.85 2kpn s GLU 5 Cb -0.12 -3.62 0.03 0.00 0.26 0.00 0.00 34.13 30.68 2kpn s GLU 5 CO -0.08 -0.52 1.23 0.95 -0.54 0.00 0.00 175.26 176.30 2kpn s THR 6 N 2.63 4.02 -0.09 -1.70 -4.23 -1.26 -4.99 115.64 110.02 2kpn s THR 6 Ca 0.54 0.96 -0.30 0.00 -1.18 0.00 0.00 61.69 61.71 2kpn s THR 6 Cb -0.22 -4.61 -0.03 0.00 1.34 0.00 0.00 72.50 68.97 2kpn s THR 6 CO 0.18 -1.18 1.38 -0.44 -0.54 0.00 0.00 174.62 174.02 2kpn s SER 7 N 3.12 6.87 0.03 3.99 0.01 -1.26 -5.01 113.70 121.45 2kpn s SER 7 Ca 0.47 1.93 -0.25 0.00 1.31 0.00 0.00 55.95 59.41 2kpn s SER 7 Cb -0.08 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.55 2kpn s SER 7 CO 0.28 -0.77 0.78 -0.62 0.41 0.00 0.00 173.24 173.32 2kpn s ASP 8 N 2.21 7.20 -0.06 2.44 -1.08 -1.26 -5.07 116.67 121.05 2kpn s ASP 8 Ca 0.61 1.44 -0.13 0.00 -0.52 0.00 0.00 52.55 53.95 2kpn s ASP 8 Cb -0.27 -2.47 -0.05 0.00 -1.46 0.00 0.00 42.92 38.67 2kpn s ASP 8 CO 0.22 -0.03 0.32 -0.76 0.52 0.00 0.00 175.17 175.44 2kpn s LEU 9 N 0.17 4.40 0.60 -1.34 1.43 -1.26 -5.09 118.68 117.60 2kpn s LEU 9 Ca 0.40 0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 54.08 2kpn s LEU 9 Cb -0.20 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 2kpn s LEU 9 CO 0.23 0.29 1.11 -1.83 0.23 0.00 0.00 176.35 176.38 2kpn s GLU 10 N -0.70 3.11 0.31 1.70 -1.05 -1.26 -4.58 118.70 116.22 2kpn s GLU 10 Ca 0.20 1.45 -0.29 0.00 -0.15 0.00 0.00 54.97 56.18 2kpn s GLU 10 Cb -0.15 -1.99 -0.10 0.00 -0.44 0.00 0.00 34.13 31.45 2kpn s GLU 10 CO 0.09 -1.02 1.31 -1.25 0.95 0.00 0.00 175.26 175.35 2kpn s PRO 11 N -3.76 4.36 -0.66 -4.83 0.04 -1.26 -4.86 135.00 124.04 2kpn s PRO 11 Ca 0.69 2.19 -0.26 0.00 0.04 0.00 0.00 61.00 63.66 2kpn s PRO 11 Cb -0.21 -3.09 0.04 0.00 0.04 0.00 0.00 34.50 31.28 2kpn s PRO 11 CO 0.35 -0.21 1.12 0.21 0.04 0.00 0.00 177.00 178.51 2kpn s LYS 12 N -1.43 3.25 -0.37 4.56 2.47 0.15 -4.90 119.74 123.47 2kpn s LYS 12 Ca 0.51 -0.31 -0.22 0.00 -1.56 0.00 0.00 55.97 54.39 2kpn s LYS 12 Cb -0.39 -4.14 0.01 0.00 -1.46 0.00 0.00 37.83 31.85 2kpn s LYS 12 CO 0.50 -1.86 0.71 -1.17 0.16 0.00 0.00 175.35 173.69 2kpn s LEU 13 N 4.83 4.21 -0.44 5.43 2.96 -1.26 -1.71 118.68 132.70 2kpn s LEU 13 Ca 0.32 0.21 -0.22 0.00 -0.22 0.00 0.00 54.13 54.22 2kpn s LEU 13 Cb -0.11 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.70 2kpn s LEU 13 CO 0.16 -0.69 0.73 -0.89 -1.32 0.00 0.00 176.35 174.35 2kpn s THR 14 N 2.93 4.72 -0.06 3.68 2.01 0.19 -4.99 115.64 124.12 2kpn s THR 14 Ca 0.28 0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.63 2kpn s THR 14 Cb -0.14 -4.27 0.03 0.00 0.01 0.00 0.00 72.50 68.13 2kpn s THR 14 CO 0.16 -0.65 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.75 2kpn s VAL 15 N 3.11 0.35 0.25 3.82 1.01 -1.26 -2.07 120.40 125.60 2kpn s VAL 15 Ca 0.27 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 2kpn s VAL 15 Cb -0.13 -0.47 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 2kpn s VAL 15 CO 0.21 0.23 1.23 -2.16 0.00 0.00 0.00 175.10 174.61 2kpn s PRO 16 N 1.57 4.47 0.28 2.72 0.04 -1.26 -4.95 135.00 137.86 2kpn s PRO 16 Ca -0.01 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.01 2kpn s PRO 16 Cb -0.13 -3.17 0.40 0.00 0.04 0.00 0.00 34.50 31.64 2kpn s PRO 16 CO -0.03 -0.08 1.81 -0.24 0.04 0.00 0.00 177.00 178.49 2kpn h VAL 17 N 3.39 1.23 -2.90 -0.36 3.04 -1.95 -3.39 116.25 115.30 2kpn h VAL 17 Ca -0.46 -0.88 -0.07 0.00 -1.01 0.00 0.00 66.70 64.28 2kpn h VAL 17 Cb 1.22 0.78 -0.16 0.00 -2.01 0.00 0.00 31.29 31.11 2kpn h VAL 17 CO 0.71 0.32 -0.03 -0.83 -1.01 0.00 0.00 177.57 176.73 2kpn s GLY 18 N -3.69 -0.35 -0.10 3.17 0.00 -1.26 -1.43 107.32 103.66 2kpn s GLY 18 Ca -0.09 0.45 -0.14 0.00 0.00 0.00 0.00 44.72 44.93 2kpn s GLY 18 CO 0.80 0.17 0.37 0.00 0.00 0.00 0.00 173.10 174.44 2kpn s ALA 19 N -2.49 -0.92 -0.17 3.20 0.00 0.20 -4.91 121.76 116.67 2kpn s ALA 19 Ca -0.05 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2kpn s ALA 19 Cb -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.75 2kpn s ALA 19 CO -0.02 -0.21 -0.19 0.99 0.00 0.00 0.00 175.76 176.32 2kpn s THR 20 N -0.35 2.15 0.43 0.00 2.01 -1.26 -0.61 115.64 118.01 2kpn s THR 20 Ca -0.05 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.06 2kpn s THR 20 Cb -0.03 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 2kpn s THR 20 CO 0.02 0.54 0.08 0.27 -0.69 0.00 0.00 174.62 174.84 2kpn s ILE 21 N 1.17 0.87 0.24 1.82 -4.36 -0.79 -5.00 121.20 115.14 2kpn s ILE 21 Ca 0.02 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.51 2kpn s ILE 21 Cb -0.14 -2.37 -0.05 0.00 1.25 0.00 0.00 42.46 41.16 2kpn s ILE 21 CO -0.10 0.00 -0.18 -1.00 0.24 0.00 0.00 174.94 173.91 2kpn s HIS 22 N -3.11 2.01 -0.17 1.37 3.76 -1.26 -0.41 115.29 117.49 2kpn s HIS 22 Ca 0.21 -0.44 -0.29 0.00 -0.15 0.00 0.00 55.06 54.39 2kpn s HIS 22 Cb 0.03 -0.91 -0.06 0.00 1.11 0.00 0.00 32.58 32.75 2kpn s HIS 22 CO 0.12 0.53 2.17 0.28 -0.85 0.00 0.00 174.74 176.99 2kpn n VAL 23 N -0.41 0.43 0.00 -0.90 0.31 0.14 -1.04 118.33 116.86 2kpn n VAL 23 Ca -0.07 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2kpn n VAL 23 Cb 0.60 -2.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.04 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 5.54 2.50 0.00 2.92 0.00 0.90 -4.21 105.19 112.84 2kpn n GLY 24 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 2kpn n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpn n ASP 25 N 0.00 -0.10 -3.96 1.61 8.00 -0.20 -5.09 116.55 116.80 2kpn n ASP 25 Ca 0.00 -0.46 -0.09 0.00 0.71 0.00 0.00 54.79 54.95 2kpn n ASP 25 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2kpn n ASP 25 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2kpn s SER 26 N -1.10 0.24 -0.05 -2.24 1.04 -1.26 -4.85 113.70 105.47 2kpn s SER 26 Ca 0.00 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.77 2kpn s SER 26 Cb 0.00 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.36 2kpn s SER 26 CO 0.00 -0.51 0.13 0.12 0.98 0.00 0.00 173.24 173.96 2kpn s PHE 27 N -2.79 -0.14 -0.39 5.02 5.36 -1.26 -5.01 117.98 118.75 2kpn s PHE 27 Ca -0.03 0.39 0.03 0.00 -0.96 0.00 0.00 56.93 56.35 2kpn s PHE 27 Cb -0.00 -0.01 0.11 0.00 -0.34 0.00 0.00 43.02 42.78 2kpn s PHE 27 CO -0.06 -0.11 0.15 0.08 -1.46 0.00 0.00 175.22 173.83 2kpn s VAL 28 N 0.52 1.85 0.44 3.12 1.01 -1.26 -4.99 120.40 121.09 2kpn s VAL 28 Ca -0.04 -2.40 0.12 0.00 0.00 0.00 0.00 61.98 59.67 2kpn s VAL 28 Cb -0.05 -2.33 0.20 0.00 0.00 0.00 0.00 36.38 34.19 2kpn s VAL 28 CO -0.02 -0.72 2.00 1.55 0.00 0.00 0.00 175.10 177.90 2kpn h PRO 29 N 7.28 0.13 -0.00 2.72 0.13 -1.99 0.02 132.00 140.29 2kpn h PRO 29 Ca -0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2kpn h PRO 29 Cb 0.97 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2kpn h PRO 29 CO 0.54 0.23 0.00 -1.33 -0.23 0.00 0.00 178.00 177.21 2kpn n MET 30 N -4.36 1.10 0.00 0.86 2.81 -1.26 -3.27 117.12 113.00 2kpn n MET 30 Ca -0.01 -0.15 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 2kpn n MET 30 Cb 0.21 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.24 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 2.26 1.99 3.04 0.00 -0.76 -4.70 120.51 121.54 2kpn n ALA 31 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.78 2kpn n ALA 31 Cb 0.14 0.49 0.69 0.00 0.00 0.00 0.00 19.45 20.77 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 -2.61 0.99 -4.31 0.00 1.02 -0.08 -4.76 120.64 110.89 2kpn n GLU 32 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 2kpn n GLU 32 Cb 0.49 -1.36 -0.12 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.00 1.81 0.02 2.62 1.01 -1.20 -4.72 120.40 117.94 2kpn s VAL 33 Ca 0.35 -1.71 -0.08 0.00 0.00 0.00 0.00 61.98 60.55 2kpn s VAL 33 Cb 0.16 -1.71 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 2kpn s VAL 33 CO 0.27 -0.14 0.15 -0.22 0.00 0.00 0.00 175.10 175.16 2kpn s LEU 34 N -2.21 1.55 -0.11 3.92 0.20 -0.88 -4.87 118.68 116.28 2kpn s LEU 34 Ca 0.11 -0.32 -0.05 0.00 0.69 0.00 0.00 54.13 54.56 2kpn s LEU 34 Cb -0.08 0.75 0.05 0.00 -0.43 0.00 0.00 46.19 46.47 2kpn s LEU 34 CO 0.05 -0.45 0.24 0.00 -0.29 0.00 0.00 176.35 175.91 2kpn s ALA 35 N -1.96 -0.53 -0.05 5.97 0.00 -1.26 0.55 121.76 124.47 2kpn s ALA 35 Ca -0.10 0.96 0.03 0.00 0.00 0.00 0.00 51.96 52.84 2kpn s ALA 35 Cb -0.04 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2kpn s ALA 35 CO -0.01 -0.34 -0.12 0.42 0.00 0.00 0.00 175.76 175.71 2kpn s ILE 36 N 1.64 1.04 0.04 0.00 -1.09 -0.70 -0.23 121.20 121.91 2kpn s ILE 36 Ca -0.06 -0.46 0.06 0.00 -2.23 0.00 0.00 60.65 57.96 2kpn s ILE 36 Cb -0.11 -0.94 -0.03 0.00 -1.58 0.00 0.00 42.46 39.80 2kpn s ILE 36 CO -0.08 0.32 -0.15 -0.62 -1.23 0.00 0.00 174.94 173.18 2kpn s ASP 37 N 0.42 4.03 0.14 3.58 2.15 0.32 0.29 116.67 127.61 2kpn s ASP 37 Ca -0.09 -0.36 -0.10 0.00 0.43 0.00 0.00 52.55 52.44 2kpn s ASP 37 Cb -0.13 -0.74 -0.04 0.00 -0.30 0.00 0.00 42.92 41.72 2kpn s ASP 37 CO 0.02 0.26 1.43 0.11 -0.17 0.00 0.00 175.17 176.82 2kpn h LYS 38 N 4.47 0.82 0.00 4.34 1.57 -1.84 -2.26 116.57 123.68 2kpn h LYS 38 Ca -0.48 -0.51 -0.04 0.00 -1.87 0.00 0.00 60.65 57.74 2kpn h LYS 38 Cb 1.16 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 2kpn h LYS 38 CO 0.49 1.14 -0.30 0.93 -0.57 0.00 0.00 179.45 181.14 2kpn h GLU 39 N 0.64 0.00 0.00 3.15 3.07 -1.97 -3.40 114.58 116.07 2kpn h GLU 39 Ca 0.02 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2kpn h GLU 39 Cb 1.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 2kpn h GLU 39 CO 0.12 0.60 -0.14 0.22 -1.40 0.00 0.00 179.01 178.41 2kpn h ASP 40 N -1.00 0.11 0.00 1.42 3.58 -1.96 -3.51 116.42 115.07 2kpn h ASP 40 Ca -0.07 -0.81 0.00 0.00 0.42 0.00 0.00 57.03 56.57 2kpn h ASP 40 Cb 0.72 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2kpn h ASP 40 CO -0.04 0.91 0.00 0.61 -2.88 0.00 0.00 179.24 177.84 2kpn n GLY 41 N 1.12 0.17 3.66 -0.78 0.00 -0.85 -5.01 105.19 103.50 2kpn n GLY 41 Ca -0.10 -1.47 -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 6.94 -0.02 1.61 -1.08 -1.26 -0.52 116.67 118.33 2kpn s ASP 42 Ca 0.00 1.64 0.11 0.00 -0.52 0.00 0.00 52.55 53.77 2kpn s ASP 42 Cb 0.00 -2.54 0.31 0.00 -1.46 0.00 0.00 42.92 39.23 2kpn s ASP 42 CO 0.00 -0.78 1.26 0.18 0.52 0.00 0.00 175.17 176.35 2kpn n LEU 43 N 6.66 2.97 -0.13 -1.34 4.77 0.68 -4.67 117.00 125.94 2kpn n LEU 43 Ca 0.14 -2.12 0.02 0.00 -0.03 0.00 0.00 56.01 54.02 2kpn n LEU 43 Cb 0.45 -0.25 0.32 0.00 -2.33 0.00 0.00 43.42 41.61 2kpn n LEU 43 CO 0.56 0.71 1.21 0.74 -1.33 0.00 0.00 177.39 179.28 2kpn h THR 44 N 1.85 1.14 0.00 -5.08 2.02 -1.76 0.66 112.91 111.74 2kpn h THR 44 Ca 0.00 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2kpn h THR 44 Cb 0.80 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 2kpn h THR 44 CO 0.03 0.15 0.00 -1.20 0.37 0.00 0.00 175.52 174.87 2kpn n SER 45 N -4.45 0.72 -1.30 4.18 7.64 -1.26 -3.31 113.62 115.84 2kpn n SER 45 Ca 0.07 0.60 0.10 0.00 1.01 0.00 0.00 58.87 60.65 2kpn n SER 45 Cb 0.06 -0.78 0.30 0.00 -1.01 0.00 0.00 64.21 62.78 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 -2.22 2.84 -2.83 1.43 5.02 0.21 -4.92 118.16 117.71 2kpn n LYS 46 Ca 0.04 -2.45 -0.42 0.00 -2.02 0.00 0.00 58.31 53.47 2kpn n LYS 46 Cb 0.35 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.35 4.75 -0.13 -0.18 1.01 -1.16 -4.11 121.20 120.03 2kpn s ILE 47 Ca 0.45 1.58 -0.25 0.00 0.00 0.00 0.00 60.65 62.43 2kpn s ILE 47 Cb 0.25 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2kpn s ILE 47 CO 0.28 -0.20 0.79 -0.75 0.00 0.00 0.00 174.94 175.06 2kpn s LYS 48 N 3.06 4.35 -0.28 2.79 2.47 0.65 -4.90 119.74 127.87 2kpn s LYS 48 Ca 0.37 0.98 -0.08 0.00 -1.56 0.00 0.00 55.97 55.69 2kpn s LYS 48 Cb -0.14 -3.53 -0.01 0.00 -1.46 0.00 0.00 37.83 32.68 2kpn s LYS 48 CO 0.10 -0.19 0.10 0.08 0.16 0.00 0.00 175.35 175.60 2kpn s VAL 49 N 1.67 4.35 -0.10 4.02 1.01 -1.26 -1.46 120.40 128.64 2kpn s VAL 49 Ca 0.38 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.94 2kpn s VAL 49 Cb -0.17 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2kpn s VAL 49 CO 0.15 0.19 0.14 -0.62 0.00 0.00 0.00 175.10 174.96 2kpn s ASP 50 N 1.59 6.33 0.00 3.32 2.15 0.36 -4.97 116.67 125.45 2kpn s ASP 50 Ca 0.05 0.43 0.00 0.00 0.43 0.00 0.00 52.55 53.46 2kpn s ASP 50 Cb -0.16 -2.03 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 2kpn s ASP 50 CO 0.04 0.38 0.00 0.61 -0.17 0.00 0.00 175.17 176.03 2kpn n GLY 51 N 1.79 0.70 3.31 2.66 0.00 -1.26 -1.48 105.19 110.91 2kpn n GLY 51 Ca -0.18 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.23 0.43 -0.30 1.61 2.12 -1.26 -5.01 118.70 115.06 2kpn s GLU 52 Ca 0.00 0.83 -0.07 0.00 0.36 0.00 0.00 54.97 56.09 2kpn s GLU 52 Cb 0.00 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.41 2kpn s GLU 52 CO 0.00 -0.15 0.09 0.08 -0.54 0.00 0.00 175.26 174.74 2kpn s VAL 53 N 1.37 4.03 0.03 3.70 1.01 -1.26 -4.90 120.40 124.38 2kpn s VAL 53 Ca -0.09 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2kpn s VAL 53 Cb -0.08 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2kpn s VAL 53 CO -0.13 0.06 0.35 -0.62 0.00 0.00 0.00 175.10 174.76 2kpn s ASP 54 N 1.51 6.61 0.00 3.32 2.15 -1.26 -4.98 116.67 124.01 2kpn s ASP 54 Ca 0.03 0.73 0.14 0.00 0.43 0.00 0.00 52.55 53.88 2kpn s ASP 54 Cb -0.17 -2.16 0.30 0.00 -0.30 0.00 0.00 42.92 40.59 2kpn s ASP 54 CO 0.03 0.24 1.20 0.35 -0.17 0.00 0.00 175.17 176.82 2kpn n THR 55 N 1.21 0.65 -0.04 1.71 -2.24 -1.26 -4.34 114.28 109.97 2kpn n THR 55 Ca -0.11 -0.83 0.02 0.00 -2.27 0.00 0.00 64.05 60.86 2kpn n THR 55 Cb 0.53 0.78 -0.15 0.00 -2.10 0.00 0.00 70.33 69.38 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 0.80 0.55 -4.24 4.28 -2.24 -1.26 -0.07 114.28 112.11 2kpn n THR 56 Ca 0.13 -0.61 -0.34 0.00 -2.27 0.00 0.00 64.05 60.96 2kpn n THR 56 Cb 0.44 -0.19 -0.15 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.01 3.20 0.41 -0.78 2.47 -1.26 -4.94 119.74 115.82 2kpn s LYS 57 Ca -0.08 -0.74 -0.25 0.00 -1.56 0.00 0.00 55.97 53.34 2kpn s LYS 57 Cb 0.10 -2.71 -0.08 0.00 -1.46 0.00 0.00 37.83 33.67 2kpn s LYS 57 CO 0.82 -0.11 1.20 0.00 0.16 0.00 0.00 175.35 177.42 2kpn s ALA 58 N 1.13 3.16 0.00 3.13 0.00 -1.26 -4.80 121.76 123.11 2kpn s ALA 58 Ca 0.01 1.02 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2kpn s ALA 58 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2kpn s ALA 58 CO -0.05 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.52 2kpn n GLY 59 N 0.63 2.43 3.64 0.00 0.00 -0.25 -4.99 105.19 106.66 2kpn n GLY 59 Ca 0.04 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 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 5.27 -0.15 2.61 2.01 -1.26 -0.43 115.64 121.69 2kpn s THR 60 Ca 0.00 0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.39 2kpn s THR 60 Cb 0.00 -3.60 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 2kpn s THR 60 CO 0.00 0.26 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.74 2kpn s TYR 61 N 1.47 2.79 -0.29 4.92 1.51 0.48 -4.96 117.35 123.27 2kpn s TYR 61 Ca 0.12 -0.97 -0.15 0.00 -1.01 0.00 0.00 57.07 55.05 2kpn s TYR 61 Cb -0.15 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2kpn s TYR 61 CO 0.08 -0.44 0.37 0.08 -1.11 0.00 0.00 175.55 174.53 2kpn s VAL 62 N 0.77 5.17 -0.14 0.71 1.01 -1.26 -1.45 120.40 125.21 2kpn s VAL 62 Ca -0.06 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.26 2kpn s VAL 62 Cb -0.15 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2kpn s VAL 62 CO 0.01 0.08 0.08 -0.76 0.00 0.00 0.00 175.10 174.50 2kpn s LEU 63 N 2.06 3.96 -0.17 3.92 1.43 -0.64 -4.72 118.68 124.51 2kpn s LEU 63 Ca 0.14 0.22 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 2kpn s LEU 63 Cb -0.16 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2kpn s LEU 63 CO 0.11 0.29 0.07 -0.89 0.23 0.00 0.00 176.35 176.16 2kpn s THR 64 N -0.35 4.88 -0.21 5.49 2.01 -0.55 -1.04 115.64 125.88 2kpn s THR 64 Ca 0.09 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.09 2kpn s THR 64 Cb -0.12 -3.18 0.02 0.00 0.01 0.00 0.00 72.50 69.24 2kpn s THR 64 CO 0.02 0.49 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.98 2kpn s TYR 65 N 0.10 2.92 -0.12 4.92 2.02 0.72 -0.49 117.35 127.41 2kpn s TYR 65 Ca 0.06 -1.66 0.03 0.00 -0.37 0.00 0.00 57.07 55.13 2kpn s TYR 65 Cb -0.12 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2kpn s TYR 65 CO 0.00 -0.78 -0.22 0.99 -1.57 0.00 0.00 175.55 173.98 2kpn s THR 66 N 1.29 1.98 0.01 -0.71 2.01 -0.53 -1.16 115.64 118.53 2kpn s THR 66 Ca 0.02 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.14 2kpn s THR 66 Cb -0.15 -1.74 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 2kpn s THR 66 CO -0.09 0.54 -0.20 0.54 -0.69 0.00 0.00 174.62 174.72 2kpn s VAL 67 N 0.67 1.55 -0.12 3.82 0.11 -0.39 -0.25 120.40 125.79 2kpn s VAL 67 Ca -0.11 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 57.95 2kpn s VAL 67 Cb -0.16 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 2kpn s VAL 67 CO 0.02 0.32 -0.06 -0.89 -3.33 0.00 0.00 175.10 171.16 2kpn s THR 68 N -0.61 3.71 0.24 5.04 2.01 -1.26 -1.85 115.64 122.93 2kpn s THR 68 Ca 0.07 -0.44 -0.08 0.00 0.31 0.00 0.00 61.69 61.55 2kpn s THR 68 Cb -0.08 -2.58 -0.06 0.00 0.01 0.00 0.00 72.50 69.79 2kpn s THR 68 CO 0.00 0.54 0.54 -0.62 -0.69 0.00 0.00 174.62 174.39 2kpn s ASP 69 N -0.07 6.55 0.53 3.53 2.15 0.13 -4.97 116.67 124.51 2kpn s ASP 69 Ca 0.01 0.83 0.18 0.00 0.43 0.00 0.00 52.55 54.00 2kpn s ASP 69 Cb -0.13 -2.19 1.32 0.00 -0.30 0.00 0.00 42.92 41.61 2kpn s ASP 69 CO 0.03 -0.11 2.14 -1.28 -0.17 0.00 0.00 175.17 175.78 2kpn h SER 70 N 2.27 0.00 -0.33 -0.34 0.87 -1.99 0.01 113.55 114.04 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 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 177.27 2kpn n LYS 71 N -4.48 1.94 0.00 2.24 4.76 -1.26 -4.92 118.16 116.45 2kpn n LYS 71 Ca -0.02 -1.45 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 2kpn n LYS 71 Cb 0.14 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 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 1.20 0.92 3.60 0.72 0.00 -0.01 -5.07 105.19 106.55 2kpn n GLY 72 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 3.13 -0.20 1.61 3.76 -1.25 -4.83 115.29 115.51 2kpn s HIS 73 Ca 0.00 0.66 0.02 0.00 -0.15 0.00 0.00 55.06 55.58 2kpn s HIS 73 Cb 0.00 -3.39 0.03 0.00 1.11 0.00 0.00 32.58 30.33 2kpn s HIS 73 CO 0.00 -0.70 -0.17 -2.00 -0.85 0.00 0.00 174.74 171.02 2kpn s GLU 74 N 3.12 2.74 0.24 1.40 2.12 -1.26 0.18 118.70 127.24 2kpn s GLU 74 Ca 0.33 -0.97 0.11 0.00 0.36 0.00 0.00 54.97 54.80 2kpn s GLU 74 Cb -0.13 -2.64 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 2kpn s GLU 74 CO 0.16 -0.32 -0.16 0.14 -0.54 0.00 0.00 175.26 174.55 2kpn s VAL 75 N 1.25 2.74 -0.01 3.70 -7.23 -0.77 -4.96 120.40 115.11 2kpn s VAL 75 Ca 0.01 -2.11 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 2kpn s VAL 75 Cb -0.15 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.39 2kpn s VAL 75 CO -0.11 -0.28 0.08 0.28 -0.31 0.00 0.00 175.10 174.76 2kpn s THR 76 N -2.15 0.04 0.08 5.32 -1.32 -1.26 -1.26 115.64 115.09 2kpn s THR 76 Ca 0.27 -0.35 -0.08 0.00 -1.21 0.00 0.00 61.69 60.32 2kpn s THR 76 Cb -0.07 -0.23 -0.00 0.00 -1.51 0.00 0.00 72.50 70.69 2kpn s THR 76 CO 0.15 -0.19 0.18 0.00 -2.21 0.00 0.00 174.62 172.55 2kpn s ALA 77 N -0.59 -0.21 0.21 11.08 0.00 -0.31 -4.98 121.76 126.95 2kpn s ALA 77 Ca -0.07 -0.60 0.11 0.00 0.00 0.00 0.00 51.96 51.40 2kpn s ALA 77 Cb -0.04 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 2kpn s ALA 77 CO 0.00 -0.49 -0.18 0.15 0.00 0.00 0.00 175.76 175.24 2kpn s LYS 78 N -3.72 1.73 -0.03 0.00 1.02 -1.26 -0.20 119.74 117.27 2kpn s LYS 78 Ca 0.04 -1.49 0.03 0.00 0.02 0.00 0.00 55.97 54.57 2kpn s LYS 78 Cb 0.04 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 2kpn s LYS 78 CO -0.10 0.40 -0.12 -1.14 -0.92 0.00 0.00 175.35 173.46 2kpn s GLN 79 N -2.91 1.29 -0.52 1.68 0.74 -0.21 -4.69 119.66 115.04 2kpn s GLN 79 Ca 0.24 -0.42 -0.19 0.00 0.05 0.00 0.00 55.36 55.04 2kpn s GLN 79 Cb -0.08 -1.16 0.07 0.00 1.10 0.00 0.00 33.01 32.95 2kpn s GLN 79 CO 0.13 0.16 0.61 0.99 -0.55 0.00 0.00 175.29 176.63 2kpn s THR 80 N 0.15 4.92 -0.48 -0.34 2.01 -0.51 -1.62 115.64 119.76 2kpn s THR 80 Ca -0.04 -0.67 -0.15 0.00 0.31 0.00 0.00 61.69 61.14 2kpn s THR 80 Cb -0.10 -4.31 0.08 0.00 0.01 0.00 0.00 72.50 68.18 2kpn s THR 80 CO 0.01 -0.84 0.41 -0.69 -0.69 0.00 0.00 174.62 172.82 2kpn s VAL 81 N 2.50 5.22 -0.31 3.82 1.01 -0.53 -0.62 120.40 131.49 2kpn s VAL 81 Ca 0.13 -1.13 -0.17 0.00 0.00 0.00 0.00 61.98 60.82 2kpn s VAL 81 Cb -0.21 -4.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 2kpn s VAL 81 CO 0.10 -0.62 0.45 -0.89 0.00 0.00 0.00 175.10 174.14 2kpn s THR 82 N 1.63 5.09 -0.30 3.92 2.01 0.22 -0.38 115.64 127.83 2kpn s THR 82 Ca 0.04 0.46 -0.13 0.00 0.31 0.00 0.00 61.69 62.37 2kpn s THR 82 Cb -0.25 -3.84 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2kpn s THR 82 CO 0.06 -0.03 0.29 -0.69 -0.69 0.00 0.00 174.62 173.55 2kpn s VAL 83 N 2.23 5.24 0.52 3.82 1.01 0.43 -1.89 120.40 131.76 2kpn s VAL 83 Ca 0.17 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.39 2kpn s VAL 83 Cb -0.16 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.60 2kpn s VAL 83 CO 0.11 0.09 0.62 -0.54 0.00 0.00 0.00 175.10 175.39 2kpn s LYS 84 N 1.89 2.41 -0.26 2.72 1.02 0.45 -1.08 119.74 126.89 2kpn s LYS 84 Ca 0.10 -1.64 -0.10 0.00 0.02 0.00 0.00 55.97 54.34 2kpn s LYS 84 Cb -0.16 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 2kpn s LYS 84 CO 0.11 -0.63 0.17 0.08 -0.92 0.00 0.00 175.35 174.16 2kpn s VAL 85 N -2.61 5.25 -0.19 3.17 1.01 -1.26 0.29 120.40 126.05 2kpn s VAL 85 Ca 0.53 0.15 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 2kpn s VAL 85 Cb -0.05 -3.48 -0.20 0.00 0.00 0.00 0.00 36.38 32.65 2kpn s VAL 85 CO 0.33 0.30 0.15 -2.11 0.00 0.00 0.00 175.10 173.77 2kpn n ARG 86 N 4.73 0.63 -3.90 2.72 1.85 -1.26 -4.82 116.66 116.62 2kpn n ARG 86 Ca -0.15 0.41 -0.30 0.00 -1.00 0.00 0.00 57.85 56.81 2kpn n ARG 86 Cb 0.52 -1.69 -0.14 0.00 -1.05 0.00 0.00 32.46 30.10 2kpn n ARG 86 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2kpn s GLU 87 N -2.45 1.41 0.28 2.89 2.02 -1.26 -5.08 118.70 116.51 2kpn s GLU 87 Ca -0.29 -1.91 -0.30 0.00 0.02 0.00 0.00 54.97 52.49 2kpn s GLU 87 Cb 0.08 -2.85 -0.12 0.00 0.10 0.00 0.00 34.13 31.34 2kpn s GLU 87 CO 0.63 -1.02 1.61 -0.85 0.02 0.00 0.00 175.26 175.65 2kpn n GLU 88 N 3.99 2.71 -2.82 1.61 0.00 -1.26 -4.97 120.64 119.91 2kpn n GLU 88 Ca 0.04 0.97 -0.41 0.00 0.00 0.00 0.00 57.16 57.75 2kpn n GLU 88 Cb 0.38 -2.76 -0.04 0.00 0.00 0.00 0.00 31.44 29.03 2kpn n GLU 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2kpn s VAL 89 N 0.12 4.82 -1.77 3.84 1.01 -1.26 -4.95 120.40 122.23 2kpn s VAL 89 Ca 0.65 1.87 0.03 0.00 0.00 0.00 0.00 61.98 64.54 2kpn s VAL 89 Cb -0.50 -4.23 0.11 0.00 0.00 0.00 0.00 36.38 31.76 2kpn s VAL 89 CO 0.47 0.23 1.00 2.29 0.00 0.00 0.00 175.10 179.09 2kpn n LYS 90 N 3.53 1.34 -3.95 2.72 2.85 -1.26 -4.68 118.16 118.71 2kpn n LYS 90 Ca 0.03 -0.43 -0.31 0.00 -1.05 0.00 0.00 58.31 56.55 2kpn n LYS 90 Cb 0.51 -1.20 -0.15 0.00 -0.65 0.00 0.00 35.03 33.54 2kpn n LYS 90 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 2kpn s ASN 91 N -0.82 4.56 0.00 -5.58 -0.87 -1.26 -4.92 114.94 106.05 2kpn s ASN 91 Ca 0.08 -2.13 0.26 0.00 -1.57 0.00 0.00 52.86 49.50 2kpn s ASN 91 Cb 0.05 -1.46 0.66 0.00 -0.02 0.00 0.00 41.25 40.47 2kpn s ASN 91 CO 0.05 -0.37 1.51 -0.67 -2.57 0.00 0.00 177.10 175.04 2kpn n ASP 92 N 4.27 1.21 -4.76 -1.22 2.03 -1.26 -4.91 116.55 111.91 2kpn n ASP 92 Ca 0.03 -1.03 -0.31 0.00 0.52 0.00 0.00 54.79 54.00 2kpn n ASP 92 Cb 0.41 0.18 0.09 0.00 -0.72 0.00 0.00 41.12 41.08 2kpn n ASP 92 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kpn s LYS 93 N -2.46 2.19 -0.79 -0.67 3.01 -1.26 -4.88 119.74 114.88 2kpn s LYS 93 Ca 0.24 1.22 -0.24 0.00 -1.01 0.00 0.00 55.97 56.19 2kpn s LYS 93 Cb 0.19 -1.89 -0.18 0.00 -1.01 0.00 0.00 37.83 34.95 2kpn s LYS 93 CO 0.52 -1.70 1.89 -0.35 0.51 0.00 0.00 175.35 176.21 2kpn n PRO 94 N -3.50 1.21 -3.33 -1.68 -0.04 -1.26 -4.89 135.00 121.53 2kpn n PRO 94 Ca 0.09 -1.89 -0.43 0.00 -0.04 0.00 0.00 63.50 61.24 2kpn n PRO 94 Cb 0.53 -3.15 -0.09 0.00 -0.04 0.00 0.00 33.50 30.75 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 7.81 5.10 -0.07 0.52 1.01 -1.26 -5.07 121.20 129.24 2kpn s ILE 95 Ca 0.64 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 2kpn s ILE 95 Cb 0.09 -4.06 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2kpn s ILE 95 CO 0.16 -0.46 0.02 -0.22 0.00 0.00 0.00 174.94 174.44 2kpn s LEU 96 N 2.09 3.66 0.00 2.97 2.96 -1.26 -5.17 118.68 123.92 2kpn s LEU 96 Ca 0.11 0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2kpn s LEU 96 Cb -0.18 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.66 2kpn s LEU 96 CO 0.12 0.36 0.67 1.21 -1.32 0.00 0.00 176.35 177.39