#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tkw s ASP 2 N 0.00 5.96 -0.10 9.51 1.01 -1.26 -0.49 116.67 131.30 1tkw s ASP 2 Ca 0.00 0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.55 1tkw s ASP 2 Cb 0.00 -1.93 0.02 0.00 1.01 0.00 0.00 42.92 42.01 1tkw s ASP 2 CO 0.00 0.31 -0.14 -0.69 0.21 0.00 0.00 175.17 174.87 1tkw s VAL 3 N -0.44 1.35 0.08 -1.27 1.01 -0.34 -4.53 120.40 116.26 1tkw s VAL 3 Ca 0.11 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.29 1tkw s VAL 3 Cb -0.12 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.95 1tkw s VAL 3 CO 0.02 0.41 0.75 -0.76 0.00 0.00 0.00 175.10 175.51 1tkw s LEU 4 N 0.99 4.50 -0.54 3.92 1.43 -0.31 -1.37 118.68 127.30 1tkw s LEU 4 Ca -0.07 1.48 -0.18 0.00 -1.03 0.00 0.00 54.13 54.33 1tkw s LEU 4 Cb -0.15 -3.21 0.08 0.00 0.03 0.00 0.00 46.19 42.94 1tkw s LEU 4 CO -0.01 0.10 0.63 -0.76 0.23 0.00 0.00 176.35 176.54 1tkw s LEU 5 N -0.48 5.30 0.00 1.79 1.43 -0.28 -1.62 118.68 124.83 1tkw s LEU 5 Ca 0.37 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 1tkw s LEU 5 Cb -0.21 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.67 1tkw s LEU 5 CO 0.23 -0.96 0.00 0.61 0.23 0.00 0.00 176.35 176.46 1tkw n GLY 6 N 5.23 1.52 3.79 -3.19 0.00 -0.55 -1.86 105.19 110.12 1tkw n GLY 6 Ca -0.09 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1tkw n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tkw s ALA 7 N 0.00 1.99 -0.58 4.61 0.00 -0.20 -3.93 121.76 123.65 1tkw s ALA 7 Ca 0.00 -0.31 0.18 0.00 0.00 0.00 0.00 51.96 51.83 1tkw s ALA 7 Cb 0.00 -3.09 0.82 0.00 0.00 0.00 0.00 23.12 20.85 1tkw s ALA 7 CO 0.00 -2.00 1.54 -0.25 0.00 0.00 0.00 175.76 175.05 1tkw n ASP 8 N -3.60 0.41 -1.43 0.00 8.00 -1.26 -1.04 116.55 117.63 1tkw n ASP 8 Ca 0.07 0.64 0.11 0.00 0.71 0.00 0.00 54.79 56.31 1tkw n ASP 8 Cb 0.57 -0.71 0.33 0.00 -0.02 0.00 0.00 41.12 41.30 1tkw n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1tkw n ASP 9 N -1.99 4.18 0.00 -2.24 5.75 -1.26 -4.91 116.55 116.07 1tkw n ASP 9 Ca 0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 1tkw n ASP 9 Cb 0.13 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 1tkw n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tkw n GLY 10 N 1.47 0.62 3.77 6.12 0.00 -0.21 -5.03 105.19 111.93 1tkw n GLY 10 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 1tkw n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tkw s SER 11 N -2.14 6.20 -1.13 1.61 0.01 -1.25 -4.71 113.70 112.29 1tkw s SER 11 Ca 0.00 2.56 -0.18 0.00 1.31 0.00 0.00 55.95 59.64 1tkw s SER 11 Cb 0.00 -2.63 0.11 0.00 0.21 0.00 0.00 66.02 63.71 1tkw s SER 11 CO 0.00 -0.92 1.45 -0.76 0.41 0.00 0.00 173.24 173.43 1tkw s LEU 12 N -2.66 4.37 0.07 2.44 1.43 -1.26 -1.03 118.68 122.04 1tkw s LEU 12 Ca 0.60 -2.28 -0.18 0.00 -1.03 0.00 0.00 54.13 51.23 1tkw s LEU 12 Cb -0.36 -2.49 0.04 0.00 0.03 0.00 0.00 46.19 43.41 1tkw s LEU 12 CO 0.45 -1.11 0.42 0.00 0.23 0.00 0.00 176.35 176.35 1tkw s ALA 13 N 3.32 -1.03 0.06 4.21 0.00 -1.26 -4.02 121.76 123.04 1tkw s ALA 13 Ca 0.44 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.41 1tkw s ALA 13 Cb -0.01 0.47 -0.06 0.00 0.00 0.00 0.00 23.12 23.52 1tkw s ALA 13 CO -0.02 -0.53 0.67 -0.06 0.00 0.00 0.00 175.76 175.82 1tkw s PHE 14 N -2.92 3.77 -0.24 0.00 0.08 -1.26 -1.49 117.98 115.92 1tkw s PHE 14 Ca -0.03 1.37 -0.01 0.00 0.12 0.00 0.00 56.93 58.38 1tkw s PHE 14 Cb 0.00 -2.67 0.07 0.00 -0.57 0.00 0.00 43.02 39.85 1tkw s PHE 14 CO -0.06 0.41 0.02 0.08 -0.10 0.00 0.00 175.22 175.58 1tkw s VAL 15 N -0.52 0.97 0.81 -0.44 1.01 -0.64 -2.08 120.40 119.51 1tkw s VAL 15 Ca 0.33 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1tkw s VAL 15 Cb -0.20 -1.47 0.08 0.00 0.00 0.00 0.00 36.38 34.79 1tkw s VAL 15 CO 0.21 -0.30 1.13 -2.16 0.00 0.00 0.00 175.10 173.97 1tkw s PRO 16 N 1.63 1.98 -0.07 2.72 0.04 -1.26 -1.16 135.00 138.88 1tkw s PRO 16 Ca 0.01 0.37 0.16 0.00 0.04 0.00 0.00 61.00 61.58 1tkw s PRO 16 Cb -0.18 -1.93 -0.25 0.00 0.04 0.00 0.00 34.50 32.19 1tkw s PRO 16 CO -0.12 -1.64 0.27 -1.13 0.04 0.00 0.00 177.00 174.43 1tkw n SER 17 N -3.40 1.06 -3.96 6.66 3.41 -0.88 -4.82 113.62 111.69 1tkw n SER 17 Ca 0.07 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.41 1tkw n SER 17 Cb 0.58 1.50 -0.17 0.00 -0.26 0.00 0.00 64.21 65.86 1tkw n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1tkw s GLU 18 N -2.93 1.77 0.24 4.33 2.02 -1.26 -0.87 118.70 121.99 1tkw s GLU 18 Ca -0.07 -0.37 -0.17 0.00 0.02 0.00 0.00 54.97 54.38 1tkw s GLU 18 Cb 0.09 -1.68 0.02 0.00 0.10 0.00 0.00 34.13 32.65 1tkw s GLU 18 CO 0.70 -0.19 0.58 -0.59 0.02 0.00 0.00 175.26 175.77 1tkw s PHE 19 N 1.41 0.01 0.12 1.61 -0.71 -1.16 -5.01 117.98 114.25 1tkw s PHE 19 Ca 0.00 -0.39 0.10 0.00 -1.04 0.00 0.00 56.93 55.60 1tkw s PHE 19 Cb -0.13 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.07 1tkw s PHE 19 CO -0.06 -1.05 -0.25 -1.12 -1.34 0.00 0.00 175.22 171.41 1tkw s SER 20 N -2.93 3.03 0.10 1.98 0.01 -1.26 -1.73 113.70 112.89 1tkw s SER 20 Ca 0.14 -0.73 -0.03 0.00 1.31 0.00 0.00 55.95 56.64 1tkw s SER 20 Cb -0.03 -0.19 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 1tkw s SER 20 CO 0.04 0.13 0.06 0.27 0.41 0.00 0.00 173.24 174.16 1tkw s ILE 21 N -1.14 0.14 0.49 1.44 -4.36 -0.53 -4.93 121.20 112.33 1tkw s ILE 21 Ca 0.12 -1.75 -0.03 0.00 -0.26 0.00 0.00 60.65 58.73 1tkw s ILE 21 Cb -0.10 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.84 1tkw s ILE 21 CO 0.06 -0.66 0.76 -0.44 0.24 0.00 0.00 174.94 174.90 1tkw s SER 22 N -2.98 5.88 0.30 4.36 0.01 -1.26 -1.97 113.70 118.04 1tkw s SER 22 Ca 0.15 0.58 -0.29 0.00 1.31 0.00 0.00 55.95 57.70 1tkw s SER 22 Cb 0.07 -1.78 -0.11 0.00 0.21 0.00 0.00 66.02 64.41 1tkw s SER 22 CO -0.04 -0.76 1.48 -2.16 0.41 0.00 0.00 173.24 172.17 1tkw s PRO 23 N -4.72 4.21 0.00 12.44 0.04 -1.26 -2.15 135.00 143.56 1tkw s PRO 23 Ca 0.49 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.96 1tkw s PRO 23 Cb -0.10 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1tkw s PRO 23 CO 0.42 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.39 1tkw n GLY 24 N 1.69 2.39 3.77 0.56 0.00 0.17 -4.95 105.19 108.82 1tkw n GLY 24 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1tkw n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tkw s GLU 25 N -0.11 4.22 0.13 1.61 2.12 -0.91 -4.77 118.70 120.99 1tkw s GLU 25 Ca 0.00 2.01 -0.14 0.00 0.36 0.00 0.00 54.97 57.21 1tkw s GLU 25 Cb 0.00 -2.89 -0.07 0.00 0.26 0.00 0.00 34.13 31.43 1tkw s GLU 25 CO 0.00 -0.23 0.53 0.21 -0.54 0.00 0.00 175.26 175.22 1tkw s LYS 26 N -2.00 3.95 -0.21 4.30 2.20 -1.26 -3.89 119.74 122.83 1tkw s LYS 26 Ca 0.53 0.45 -0.03 0.00 -0.36 0.00 0.00 55.97 56.56 1tkw s LYS 26 Cb -0.35 -2.95 -0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1tkw s LYS 26 CO 0.45 0.49 -0.07 0.42 -0.36 0.00 0.00 175.35 176.29 1tkw s ILE 27 N -1.45 3.12 -0.40 5.43 1.01 0.03 -0.18 121.20 128.76 1tkw s ILE 27 Ca 0.37 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 1tkw s ILE 27 Cb -0.15 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.97 1tkw s ILE 27 CO 0.19 0.45 0.23 -0.69 0.00 0.00 0.00 174.94 175.11 1tkw s VAL 28 N 1.42 4.35 -0.18 2.92 1.01 0.36 -2.12 120.40 128.15 1tkw s VAL 28 Ca 0.05 -1.15 -0.23 0.00 0.00 0.00 0.00 61.98 60.65 1tkw s VAL 28 Cb -0.14 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1tkw s VAL 28 CO -0.05 -0.37 0.71 -0.36 0.00 0.00 0.00 175.10 175.03 1tkw s PHE 29 N 1.48 3.39 -0.08 5.22 0.08 -0.28 -1.19 117.98 126.60 1tkw s PHE 29 Ca 0.02 1.06 0.04 0.00 0.12 0.00 0.00 56.93 58.17 1tkw s PHE 29 Cb -0.21 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.36 1tkw s PHE 29 CO 0.04 -0.20 -0.20 -1.59 -0.10 0.00 0.00 175.22 173.17 1tkw s LYS 30 N 1.99 2.52 0.06 0.44 -2.85 -0.47 -1.21 119.74 120.22 1tkw s LYS 30 Ca 0.33 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 1tkw s LYS 30 Cb -0.16 -1.97 -0.10 0.00 -2.06 0.00 0.00 37.83 33.54 1tkw s LYS 30 CO 0.11 0.16 1.94 0.09 0.10 0.00 0.00 175.35 177.74 1tkw n ASN 31 N 3.53 4.13 0.01 0.03 4.13 0.42 -1.12 115.26 126.39 1tkw n ASN 31 Ca -0.20 0.93 -0.01 0.00 1.68 0.00 0.00 54.58 56.98 1tkw n ASN 31 Cb 0.53 -1.53 -0.00 0.00 -1.54 0.00 0.00 39.78 37.23 1tkw n ASN 31 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1tkw n ASN 32 N 6.97 0.48 -3.58 6.41 5.15 -0.78 -1.21 115.26 128.70 1tkw n ASN 32 Ca 0.20 0.06 -0.16 0.00 -0.60 0.00 0.00 54.58 54.07 1tkw n ASN 32 Cb 0.40 -0.15 -0.07 0.00 -0.53 0.00 0.00 39.78 39.43 1tkw n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tkw s ALA 33 N -2.03 -1.49 -0.18 5.20 0.00 -0.79 -4.90 121.76 117.58 1tkw s ALA 33 Ca -0.01 1.01 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1tkw s ALA 33 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.18 1tkw s ALA 33 CO 0.02 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1tkw n GLY 34 N 0.95 0.53 3.64 0.00 0.00 -1.26 -3.99 105.19 105.06 1tkw n GLY 34 Ca -0.20 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1tkw n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tkw s PHE 35 N -1.99 1.79 0.70 1.61 -0.12 -1.26 -4.74 117.98 113.97 1tkw s PHE 35 Ca 0.00 0.91 -0.15 0.00 -0.05 0.00 0.00 56.93 57.64 1tkw s PHE 35 Cb 0.00 -3.28 0.02 0.00 -0.63 0.00 0.00 43.02 39.13 1tkw s PHE 35 CO 0.00 -3.18 1.16 -1.25 -0.05 0.00 0.00 175.22 171.90 1tkw s PRO 36 N -4.98 2.43 0.12 1.99 0.04 -1.26 -5.07 135.00 128.27 1tkw s PRO 36 Ca 0.66 1.59 -0.06 0.00 0.04 0.00 0.00 61.00 63.24 1tkw s PRO 36 Cb -0.18 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1tkw s PRO 36 CO 0.58 -1.58 0.16 -1.01 0.04 0.00 0.00 177.00 175.19 1tkw s HIS 37 N -2.15 0.49 0.26 0.56 3.76 -0.83 -4.95 115.29 112.44 1tkw s HIS 37 Ca 0.71 -0.90 -0.11 0.00 -0.15 0.00 0.00 55.06 54.61 1tkw s HIS 37 Cb -0.25 -0.22 -0.00 0.00 1.11 0.00 0.00 32.58 33.22 1tkw s HIS 37 CO 0.43 -0.58 0.48 0.54 -0.85 0.00 0.00 174.74 174.76 1tkw s ASN 38 N -2.96 0.03 -0.14 1.40 4.22 -1.26 -1.16 114.94 115.07 1tkw s ASN 38 Ca 0.15 -1.01 -0.00 0.00 -2.14 0.00 0.00 52.86 49.86 1tkw s ASN 38 Cb 0.05 0.60 0.03 0.00 1.28 0.00 0.00 41.25 43.21 1tkw s ASN 38 CO -0.03 -1.17 -0.09 -0.63 -2.04 0.00 0.00 177.10 173.14 1tkw s ILE 39 N -3.86 1.27 -0.08 0.54 1.09 -1.26 -4.14 121.20 114.76 1tkw s ILE 39 Ca 0.24 -0.54 0.03 0.00 -1.10 0.00 0.00 60.65 59.28 1tkw s ILE 39 Cb -0.01 -1.29 0.00 0.00 -1.06 0.00 0.00 42.46 40.11 1tkw s ILE 39 CO 0.10 0.32 -0.19 -0.69 -0.10 0.00 0.00 174.94 174.39 1tkw s VAL 40 N 1.60 1.63 0.03 2.92 1.01 -0.27 -1.46 120.40 125.86 1tkw s VAL 40 Ca 0.03 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.04 1tkw s VAL 40 Cb -0.14 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 1tkw s VAL 40 CO -0.09 0.46 0.57 -0.36 0.00 0.00 0.00 175.10 175.69 1tkw s PHE 41 N 0.42 3.74 -0.26 5.22 0.40 -1.26 -1.03 117.98 125.22 1tkw s PHE 41 Ca -0.15 1.21 -0.29 0.00 -0.60 0.00 0.00 56.93 57.10 1tkw s PHE 41 Cb -0.16 -2.54 -0.02 0.00 0.51 0.00 0.00 43.02 40.81 1tkw s PHE 41 CO 0.06 0.46 1.49 0.34 0.70 0.00 0.00 175.22 178.28 1tkw s ASP 42 N -0.61 6.48 0.53 1.36 -1.08 0.42 -4.85 116.67 118.92 1tkw s ASP 42 Ca 0.30 1.44 0.19 0.00 -0.52 0.00 0.00 52.55 53.96 1tkw s ASP 42 Cb -0.19 -2.54 1.37 0.00 -1.46 0.00 0.00 42.92 40.11 1tkw s ASP 42 CO 0.18 -1.20 2.15 -0.33 0.52 0.00 0.00 175.17 176.49 1tkw h GLU 43 N 10.21 0.00 -0.17 4.34 4.39 -1.94 -0.84 114.58 130.56 1tkw h GLU 43 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1tkw h GLU 43 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1tkw h GLU 43 CO 1.02 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.47 1tkw n ASP 44 N -4.41 2.12 -2.57 1.42 5.68 -1.26 -4.29 116.55 113.23 1tkw n ASP 44 Ca -0.02 -1.76 -0.09 0.00 -0.50 0.00 0.00 54.79 52.42 1tkw n ASP 44 Cb 0.14 -0.11 0.04 0.00 -1.14 0.00 0.00 41.12 40.05 1tkw n ASP 44 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1tkw n SER 45 N 0.62 2.65 -4.27 -1.12 7.64 -0.32 -5.06 113.62 113.76 1tkw n SER 45 Ca 0.17 -2.69 -0.15 0.00 1.01 0.00 0.00 58.87 57.22 1tkw n SER 45 Cb 0.41 -0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 63.06 1tkw n SER 45 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1tkw s ILE 46 N -4.04 0.70 0.42 0.44 -4.36 -1.20 -1.57 121.20 111.59 1tkw s ILE 46 Ca 0.35 -1.99 -0.26 0.00 -0.26 0.00 0.00 60.65 58.49 1tkw s ILE 46 Cb 0.37 -2.26 -0.10 0.00 1.25 0.00 0.00 42.46 41.72 1tkw s ILE 46 CO -0.02 -0.35 1.28 -0.81 0.24 0.00 0.00 174.94 175.29 1tkw n PRO 47 N -0.31 1.96 -1.69 0.37 -0.04 -1.25 -4.90 135.00 129.14 1tkw n PRO 47 Ca -0.05 0.70 -0.44 0.00 -0.04 0.00 0.00 63.50 63.67 1tkw n PRO 47 Cb 0.64 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1tkw n PRO 47 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1tkw n SER 48 N 0.20 2.94 0.00 3.54 7.64 -1.26 -2.44 113.62 124.23 1tkw n SER 48 Ca 0.06 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.10 1tkw n SER 48 Cb 0.40 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1tkw n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tkw n GLY 49 N 1.80 1.59 3.72 0.23 0.00 -1.26 -5.04 105.19 106.24 1tkw n GLY 49 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1tkw n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tkw s VAL 50 N -2.47 4.55 -0.40 1.61 1.01 -1.02 -5.00 120.40 118.67 1tkw s VAL 50 Ca 0.00 1.97 -0.25 0.00 0.00 0.00 0.00 61.98 63.69 1tkw s VAL 50 Cb 0.00 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.14 1tkw s VAL 50 CO 0.00 0.23 0.91 -0.62 0.00 0.00 0.00 175.10 175.62 1tkw s ASP 51 N 0.50 6.60 0.50 3.32 2.15 -1.26 -4.91 116.67 123.57 1tkw s ASP 51 Ca 0.50 0.39 0.27 0.00 0.43 0.00 0.00 52.55 54.14 1tkw s ASP 51 Cb -0.24 -2.45 1.31 0.00 -0.30 0.00 0.00 42.92 41.24 1tkw s ASP 51 CO 0.29 -0.92 2.00 0.00 -0.17 0.00 0.00 175.17 176.38 1tkw h ALA 52 N 8.71 1.20 0.00 3.66 0.00 -1.94 -2.67 119.26 128.22 1tkw h ALA 52 Ca -0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1tkw h ALA 52 Cb 1.08 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1tkw h ALA 52 CO 0.99 0.19 -0.21 0.66 0.00 0.00 0.00 179.25 180.89 1tkw h SER 53 N 0.00 0.00 1.84 0.00 4.64 -1.90 -2.11 113.55 116.01 1tkw h SER 53 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tkw h SER 53 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1tkw h SER 53 CO 0.02 0.21 0.00 0.11 -0.87 0.00 0.00 176.83 176.30 1tkw h LYS 54 N 0.00 0.00 0.00 4.77 1.57 -1.89 -3.35 116.57 117.67 1tkw h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1tkw h LYS 54 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1tkw h LYS 54 CO 0.03 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.35 1tkw n ILE 55 N -2.87 0.28 -4.36 1.86 -5.35 -1.09 -5.02 119.36 102.80 1tkw n ILE 55 Ca 0.04 -0.59 -0.19 0.00 -0.27 0.00 0.00 62.75 61.74 1tkw n ILE 55 Cb 0.50 0.92 -0.10 0.00 -1.74 0.00 0.00 39.64 39.22 1tkw n ILE 55 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1tkw s SER 56 N -0.28 2.23 0.54 7.28 0.01 -0.81 -4.82 113.70 117.85 1tkw s SER 56 Ca 0.00 -1.19 -0.07 0.00 1.31 0.00 0.00 55.95 56.01 1tkw s SER 56 Cb 0.00 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 1tkw s SER 56 CO 0.00 -0.42 0.87 -0.04 0.41 0.00 0.00 173.24 174.06 1tkw s MET 57 N -3.79 3.36 0.56 12.44 -1.94 -0.53 -4.86 119.30 124.53 1tkw s MET 57 Ca 0.28 0.25 -0.18 0.00 -1.71 0.00 0.00 55.69 54.33 1tkw s MET 57 Cb 0.04 -2.28 -0.05 0.00 2.01 0.00 0.00 34.83 34.55 1tkw s MET 57 CO 0.09 -0.43 1.07 0.45 -0.01 0.00 0.00 175.02 176.19 1tkw s SER 58 N -4.18 5.87 0.53 3.03 0.15 -1.26 -4.71 113.70 113.13 1tkw s SER 58 Ca 0.51 1.95 0.19 0.00 0.70 0.00 0.00 55.95 59.30 1tkw s SER 58 Cb -0.10 -2.55 1.34 0.00 -1.71 0.00 0.00 66.02 62.99 1tkw s SER 58 CO 0.47 -1.11 2.13 1.05 1.20 0.00 0.00 173.24 176.98 1tkw h GLU 59 N 0.92 0.00 -0.01 5.44 4.11 -1.96 -0.89 114.58 122.19 1tkw h GLU 59 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1tkw h GLU 59 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1tkw h GLU 59 CO 0.57 0.00 -0.15 0.39 0.07 0.00 0.00 179.01 179.90 1tkw n GLU 60 N -4.45 0.79 -3.47 1.06 1.02 -1.26 -4.88 120.64 109.45 1tkw n GLU 60 Ca -0.01 -0.34 -0.34 0.00 -0.02 0.00 0.00 57.16 56.45 1tkw n GLU 60 Cb 0.18 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.06 1tkw n GLU 60 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1tkw s ASP 61 N -2.45 6.71 0.01 1.62 1.01 -0.34 -5.09 116.67 118.14 1tkw s ASP 61 Ca 0.28 0.92 -0.02 0.00 0.71 0.00 0.00 52.55 54.44 1tkw s ASP 61 Cb 0.20 -2.23 -0.01 0.00 1.01 0.00 0.00 42.92 41.89 1tkw s ASP 61 CO 0.48 0.11 0.01 -0.76 0.21 0.00 0.00 175.17 175.22 1tkw s LEU 62 N -2.07 2.07 -0.41 1.23 1.43 -1.26 -4.73 118.68 114.94 1tkw s LEU 62 Ca 0.37 -0.39 -0.15 0.00 -1.03 0.00 0.00 54.13 52.94 1tkw s LEU 62 Cb -0.14 0.21 0.02 0.00 0.03 0.00 0.00 46.19 46.31 1tkw s LEU 62 CO 0.19 -0.28 0.29 -0.76 0.23 0.00 0.00 176.35 176.02 1tkw s LEU 63 N -1.29 5.09 -0.05 1.79 1.43 -0.30 -4.94 118.68 120.40 1tkw s LEU 63 Ca -0.14 -0.92 0.10 0.00 -1.03 0.00 0.00 54.13 52.13 1tkw s LEU 63 Cb -0.09 -2.15 0.25 0.00 0.03 0.00 0.00 46.19 44.24 1tkw s LEU 63 CO -0.00 -0.45 1.19 -0.46 0.23 0.00 0.00 176.35 176.86 1tkw n ASN 64 N 5.14 2.75 -4.18 2.29 6.94 -1.26 -1.96 115.26 124.98 1tkw n ASN 64 Ca -0.11 -2.32 -0.22 0.00 -0.02 0.00 0.00 54.58 51.92 1tkw n ASN 64 Cb 0.47 -0.24 -0.13 0.00 -2.36 0.00 0.00 39.78 37.51 1tkw n ASN 64 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tkw s ALA 65 N -1.56 1.36 0.25 -2.53 0.00 -1.26 -4.72 121.76 113.31 1tkw s ALA 65 Ca 0.21 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 1tkw s ALA 65 Cb 0.14 -0.22 -0.12 0.00 0.00 0.00 0.00 23.12 22.92 1tkw s ALA 65 CO 0.08 0.27 1.63 1.17 0.00 0.00 0.00 175.76 178.91 1tkw n LYS 66 N 1.78 2.67 0.00 0.00 4.81 -1.26 -2.16 118.16 124.00 1tkw n LYS 66 Ca -0.18 0.96 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1tkw n LYS 66 Cb 0.54 -2.76 0.00 0.00 0.02 0.00 0.00 35.03 32.84 1tkw n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tkw n GLY 67 N 2.87 2.28 3.77 3.14 0.00 -0.35 -4.99 105.19 111.91 1tkw n GLY 67 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1tkw n GLY 67 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tkw s GLU 68 N -0.78 3.91 0.15 1.61 2.02 -0.92 -4.59 118.70 120.11 1tkw s GLU 68 Ca 0.00 2.34 0.06 0.00 0.02 0.00 0.00 54.97 57.39 1tkw s GLU 68 Cb 0.00 -2.78 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 1tkw s GLU 68 CO 0.00 -0.60 -0.14 0.95 0.02 0.00 0.00 175.26 175.49 1tkw s THR 69 N -1.20 1.45 -0.09 3.63 -4.23 -1.26 -0.44 115.64 113.50 1tkw s THR 69 Ca 0.57 -1.94 -0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1tkw s THR 69 Cb -0.42 -1.76 0.02 0.00 1.34 0.00 0.00 72.50 71.68 1tkw s THR 69 CO 0.55 -0.53 -0.06 0.12 -0.54 0.00 0.00 174.62 174.16 1tkw s PHE 70 N -2.61 1.18 0.01 3.99 5.36 -0.35 -4.97 117.98 120.58 1tkw s PHE 70 Ca 0.15 -0.51 0.05 0.00 -0.96 0.00 0.00 56.93 55.66 1tkw s PHE 70 Cb -0.02 -1.04 -0.03 0.00 -0.34 0.00 0.00 43.02 41.59 1tkw s PHE 70 CO 0.04 -0.41 -0.14 -1.21 -1.46 0.00 0.00 175.22 172.05 1tkw s GLU 71 N 1.59 2.33 -0.08 10.12 2.02 -1.26 -1.13 118.70 132.29 1tkw s GLU 71 Ca 0.01 -0.83 -0.14 0.00 0.02 0.00 0.00 54.97 54.04 1tkw s GLU 71 Cb -0.13 -2.33 0.03 0.00 0.10 0.00 0.00 34.13 31.80 1tkw s GLU 71 CO -0.05 0.58 0.34 0.54 0.02 0.00 0.00 175.26 176.69 1tkw s VAL 72 N -0.89 0.03 -0.11 2.63 0.11 -0.90 -4.96 120.40 116.30 1tkw s VAL 72 Ca 0.15 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.01 1tkw s VAL 72 Cb -0.11 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1tkw s VAL 72 CO 0.05 -0.11 -0.20 0.00 -3.33 0.00 0.00 175.10 171.50 1tkw s ALA 73 N -0.50 2.34 -0.05 1.54 0.00 -1.26 -0.79 121.76 123.04 1tkw s ALA 73 Ca -0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 1tkw s ALA 73 Cb -0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 23.12 22.10 1tkw s ALA 73 CO 0.02 0.29 0.01 -0.51 0.00 0.00 0.00 175.76 175.58 1tkw s LEU 74 N 0.28 3.62 -0.03 0.00 1.43 -1.25 -4.87 118.68 117.86 1tkw s LEU 74 Ca -0.14 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1tkw s LEU 74 Cb -0.17 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 1tkw s LEU 74 CO 0.07 0.34 -0.03 -1.54 0.23 0.00 0.00 176.35 175.42 1tkw n SER 75 N 1.80 3.70 -4.74 2.29 3.41 -1.26 0.45 113.62 119.27 1tkw n SER 75 Ca -0.17 -0.02 -0.41 0.00 -0.26 0.00 0.00 58.87 58.01 1tkw n SER 75 Cb 0.53 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.41 1tkw n SER 75 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1tkw s ASN 76 N -4.31 6.75 0.53 4.04 0.01 -1.26 -4.73 114.94 115.97 1tkw s ASN 76 Ca -0.04 2.56 -0.17 0.00 -0.71 0.00 0.00 52.86 54.50 1tkw s ASN 76 Cb 0.01 -2.62 -0.07 0.00 0.41 0.00 0.00 41.25 38.99 1tkw s ASN 76 CO 0.07 -0.63 1.01 -0.54 -1.51 0.00 0.00 177.10 175.49 1tkw s LYS 77 N -0.25 3.76 0.00 -0.60 -0.14 -1.26 -4.73 119.74 116.52 1tkw s LYS 77 Ca 0.58 1.05 0.00 0.00 -1.36 0.00 0.00 55.97 56.24 1tkw s LYS 77 Cb -0.40 -2.10 0.00 0.00 -1.68 0.00 0.00 37.83 33.65 1tkw s LYS 77 CO 0.41 -0.43 0.00 0.41 -0.76 0.00 0.00 175.35 174.98 1tkw n GLY 78 N -1.32 0.88 3.88 -3.33 0.00 -0.86 -4.83 105.19 99.61 1tkw n GLY 78 Ca 0.07 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 1tkw n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tkw s GLU 79 N -1.37 3.48 -0.15 1.61 2.02 -1.26 -1.22 118.70 121.82 1tkw s GLU 79 Ca 0.00 -0.12 0.01 0.00 0.02 0.00 0.00 54.97 54.89 1tkw s GLU 79 Cb 0.00 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 31.08 1tkw s GLU 79 CO 0.00 0.75 -0.17 0.71 0.02 0.00 0.00 175.26 176.57 1tkw s TYR 80 N -1.10 2.36 -0.14 1.61 1.51 0.31 -3.80 117.35 118.10 1tkw s TYR 80 Ca 0.18 -1.29 -0.11 0.00 -1.01 0.00 0.00 57.07 54.85 1tkw s TYR 80 Cb -0.13 -1.68 -0.05 0.00 -0.11 0.00 0.00 41.96 40.00 1tkw s TYR 80 CO 0.08 -0.66 0.21 -1.12 -1.11 0.00 0.00 175.55 172.95 1tkw s SER 81 N 1.23 6.39 0.23 2.29 0.01 -0.61 -1.16 113.70 122.08 1tkw s SER 81 Ca 0.01 0.46 0.01 0.00 1.31 0.00 0.00 55.95 57.74 1tkw s SER 81 Cb -0.14 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.92 1tkw s SER 81 CO -0.08 0.24 0.07 0.72 0.41 0.00 0.00 173.24 174.60 1tkw s PHE 82 N -0.17 1.39 0.23 2.43 -0.12 -0.68 -0.44 117.98 120.61 1tkw s PHE 82 Ca 0.14 -1.16 -0.22 0.00 -0.05 0.00 0.00 56.93 55.64 1tkw s PHE 82 Cb -0.12 -0.80 0.04 0.00 -0.63 0.00 0.00 43.02 41.51 1tkw s PHE 82 CO 0.03 -0.34 0.69 1.52 -0.05 0.00 0.00 175.22 177.08 1tkw s TYR 83 N -3.78 -0.31 -0.20 3.49 1.13 -0.19 -1.76 117.35 115.73 1tkw s TYR 83 Ca 0.34 -0.05 -0.15 0.00 -1.41 0.00 0.00 57.07 55.80 1tkw s TYR 83 Cb 0.07 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.54 1tkw s TYR 83 CO 0.11 -1.07 0.35 0.00 -2.51 0.00 0.00 175.55 172.43 1tkw h SER 85 N 7.33 0.25 1.20 0.00 4.64 -1.91 0.83 113.55 125.88 1tkw h SER 85 Ca -0.37 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1tkw h SER 85 Cb 1.16 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1tkw h SER 85 CO 0.71 0.28 0.00 1.55 -0.87 0.00 0.00 176.83 178.50 1tkw h PRO 86 N 0.19 0.00 0.00 4.77 0.13 -1.94 -3.26 132.00 131.90 1tkw h PRO 86 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1tkw h PRO 86 Cb 0.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1tkw h PRO 86 CO -0.01 0.00 -0.03 0.72 -0.23 0.00 0.00 178.00 178.45 1tkw n HIS 87 N -2.95 0.00 -0.30 1.56 8.25 -1.18 -4.76 115.22 115.83 1tkw n HIS 87 Ca 0.02 -0.82 -0.03 0.00 -0.26 0.00 0.00 57.72 56.62 1tkw n HIS 87 Cb 0.35 -0.12 0.09 0.00 1.12 0.00 0.00 29.99 31.42 1tkw n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1tkw h GLN 88 N 0.00 1.05 0.00 -0.41 5.75 -0.87 -0.52 115.11 120.11 1tkw h GLN 88 Ca 0.00 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.38 1tkw h GLN 88 Cb 0.92 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.22 1tkw h GLN 88 CO 0.00 0.69 -0.28 0.78 -2.65 0.00 0.00 178.83 177.37 1tkw h GLY 89 N 1.08 0.00 1.22 2.39 0.00 -1.85 -1.47 103.07 104.44 1tkw h GLY 89 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1tkw h GLY 89 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.45 1tkw n ALA 90 N -2.29 2.23 -0.21 3.60 0.00 -0.27 -4.80 120.51 118.78 1tkw n ALA 90 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1tkw n ALA 90 Cb 0.42 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1tkw n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tkw n GLY 91 N 0.42 0.84 3.57 0.00 0.00 -0.55 -4.97 105.19 104.50 1tkw n GLY 91 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1tkw n GLY 91 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1tkw s MET 92 N -0.79 3.54 0.16 1.61 -2.45 -0.81 -4.87 119.30 115.68 1tkw s MET 92 Ca 0.00 -1.42 0.01 0.00 -1.25 0.00 0.00 55.69 53.02 1tkw s MET 92 Cb 0.00 -5.40 -0.04 0.00 1.25 0.00 0.00 34.83 30.64 1tkw s MET 92 CO 0.00 -2.54 0.03 0.14 1.05 0.00 0.00 175.02 173.70 1tkw s VAL 93 N 5.83 0.44 0.33 10.11 -7.23 -1.26 -2.29 120.40 126.33 1tkw s VAL 93 Ca 0.54 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.58 1tkw s VAL 93 Cb 0.01 -2.13 0.04 0.00 0.56 0.00 0.00 36.38 34.86 1tkw s VAL 93 CO 0.01 -0.44 0.74 -0.83 -0.31 0.00 0.00 175.10 174.28 1tkw s GLY 94 N -3.13 0.19 -0.14 2.32 0.00 -0.72 -4.64 107.32 101.20 1tkw s GLY 94 Ca 0.25 -0.57 -0.07 0.00 0.00 0.00 0.00 44.72 44.33 1tkw s GLY 94 CO 0.04 -0.23 0.33 1.25 0.00 0.00 0.00 173.10 174.48 1tkw s LYS 95 N -3.10 0.30 -0.00 2.90 2.20 -0.05 -1.69 119.74 120.29 1tkw s LYS 95 Ca 0.14 0.66 0.06 0.00 -0.36 0.00 0.00 55.97 56.48 1tkw s LYS 95 Cb -0.05 -0.07 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 1tkw s LYS 95 CO 0.10 -0.16 -0.19 0.54 -0.36 0.00 0.00 175.35 175.27 1tkw s VAL 96 N 1.36 2.68 -0.16 4.02 0.11 -0.31 -2.98 120.40 125.12 1tkw s VAL 96 Ca -0.09 -1.02 -0.01 0.00 -2.93 0.00 0.00 61.98 57.92 1tkw s VAL 96 Cb -0.09 -2.06 -0.01 0.00 -1.53 0.00 0.00 36.38 32.69 1tkw s VAL 96 CO -0.11 0.48 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.15 1tkw s THR 97 N -0.78 3.13 -0.35 5.04 2.01 -0.71 -0.53 115.64 123.45 1tkw s THR 97 Ca 0.12 -0.61 -0.16 0.00 0.31 0.00 0.00 61.69 61.35 1tkw s THR 97 Cb -0.10 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 1tkw s THR 97 CO 0.02 0.49 0.40 -0.69 -0.69 0.00 0.00 174.62 174.16 1tkw s VAL 98 N 0.76 5.13 0.00 3.82 1.01 -0.35 -1.45 120.40 129.32 1tkw s VAL 98 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1tkw s VAL 98 Cb -0.15 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1tkw s VAL 98 CO 0.01 -0.15 0.34 -0.46 0.00 0.00 0.00 175.10 174.84