#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl n SER 2 N 0.00 2.05 -3.20 1.61 7.64 -1.26 -5.03 113.62 115.44 1udl n SER 2 Ca 0.00 0.04 -0.20 0.00 1.01 0.00 0.00 58.87 59.72 1udl n SER 2 Cb 0.00 -0.47 0.07 0.00 -1.01 0.00 0.00 64.21 62.80 1udl n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1udl n SER 3 N -3.49 -5.03 -3.28 6.43 2.88 -1.26 -5.00 113.62 104.87 1udl n SER 3 Ca -0.41 -0.49 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 1udl n SER 3 Cb 0.87 -4.50 0.00 0.00 -0.75 0.00 0.00 64.21 59.84 1udl n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1udl n GLY 4 N -1.68 -3.05 3.05 0.46 0.00 -1.26 -4.99 105.19 97.72 1udl n GLY 4 Ca -0.05 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1udl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1udl s SER 5 N -1.79 4.93 -1.11 1.61 0.15 -1.26 -5.04 113.70 111.19 1udl s SER 5 Ca 0.00 -2.26 -0.19 0.00 0.70 0.00 0.00 55.95 54.20 1udl s SER 5 Cb 0.00 -1.72 0.09 0.00 -1.71 0.00 0.00 66.02 62.68 1udl s SER 5 CO 0.00 -0.42 1.47 -0.94 1.20 0.00 0.00 173.24 174.55 1udl s SER 6 N 1.08 6.70 0.00 5.45 1.04 -1.26 -4.46 113.70 122.26 1udl s SER 6 Ca 0.11 -2.07 0.00 0.00 0.48 0.00 0.00 55.95 54.47 1udl s SER 6 Cb -0.21 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1udl s SER 6 CO -0.05 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.56 1udl n GLY 7 N 5.80 0.00 3.59 7.32 0.00 -1.26 -5.02 105.19 115.61 1udl n GLY 7 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 1udl n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1udl s GLN 8 N -1.55 3.34 -0.14 1.61 1.11 -1.26 -4.98 119.66 117.79 1udl s GLN 8 Ca 0.00 0.87 0.02 0.00 0.01 0.00 0.00 55.36 56.26 1udl s GLN 8 Cb 0.00 -4.13 0.00 0.00 -1.01 0.00 0.00 33.01 27.87 1udl s GLN 8 CO 0.00 -1.87 -0.20 0.21 0.01 0.00 0.00 175.29 173.44 1udl s LYS 9 N 5.50 3.10 0.00 2.91 2.20 -1.26 -4.72 119.74 127.47 1udl s LYS 9 Ca 0.63 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1udl s LYS 9 Cb -0.15 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1udl s LYS 9 CO 0.29 0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 1udl n GLY 10 N 3.97 3.79 3.75 5.54 0.00 -1.26 -5.10 105.19 115.87 1udl n GLY 10 Ca -0.19 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 1udl n GLY 10 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1udl s TRP 11 N 0.00 3.87 -0.33 1.61 -0.11 -1.26 -5.04 118.94 117.67 1udl s TRP 11 Ca 0.00 1.74 0.01 0.00 1.22 0.00 0.00 56.10 59.07 1udl s TRP 11 Cb 0.00 -2.93 0.10 0.00 -1.50 0.00 0.00 33.47 29.14 1udl s TRP 11 CO 0.00 0.35 0.09 -0.06 -4.62 0.00 0.00 176.95 172.71 1udl s PHE 12 N -0.56 2.56 1.09 5.86 0.08 -1.26 -5.12 117.98 120.63 1udl s PHE 12 Ca 0.41 -2.30 -0.18 0.00 0.12 0.00 0.00 56.93 54.98 1udl s PHE 12 Cb -0.23 -2.23 0.27 0.00 -0.57 0.00 0.00 43.02 40.26 1udl s PHE 12 CO 0.28 -0.90 0.97 -0.35 -0.10 0.00 0.00 175.22 175.12 1udl n PRO 13 N 4.52 -2.90 -2.10 0.24 -0.04 -1.26 -4.87 135.00 128.58 1udl n PRO 13 Ca 0.01 -1.55 -0.32 0.00 -0.04 0.00 0.00 63.50 61.61 1udl n PRO 13 Cb 0.41 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 1udl n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl s ALA 14 N -3.01 1.93 -0.09 0.55 0.00 -1.26 -4.93 121.76 114.95 1udl s ALA 14 Ca 0.63 -1.30 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1udl s ALA 14 Cb -0.06 -4.47 -0.06 0.00 0.00 0.00 0.00 23.12 18.53 1udl s ALA 14 CO 0.48 -4.40 1.86 0.45 0.00 0.00 0.00 175.76 174.15 1udl s SER 15 N 7.67 6.30 0.32 0.00 0.15 -1.26 -4.97 113.70 121.90 1udl s SER 15 Ca 0.66 2.17 -0.18 0.00 0.70 0.00 0.00 55.95 59.31 1udl s SER 15 Cb -0.08 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.61 1udl s SER 15 CO 0.06 -1.24 0.78 -2.28 1.20 0.00 0.00 173.24 171.75 1udl s HIS 16 N 5.25 3.45 -0.29 3.44 2.46 -1.26 -5.05 115.29 123.29 1udl s HIS 16 Ca 0.83 1.36 -0.10 0.00 0.47 0.00 0.00 55.06 57.62 1udl s HIS 16 Cb -0.34 -2.63 -0.03 0.00 -0.13 0.00 0.00 32.58 29.45 1udl s HIS 16 CO 0.35 0.13 0.16 0.08 -2.47 0.00 0.00 174.74 172.98 1udl s VAL 17 N -1.88 4.88 -0.79 0.89 1.01 -1.26 -5.03 120.40 118.21 1udl s VAL 17 Ca 0.53 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 62.14 1udl s VAL 17 Cb -0.12 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1udl s VAL 17 CO 0.18 0.19 1.64 -0.54 0.00 0.00 0.00 175.10 176.57 1udl s LYS 18 N 1.68 2.96 0.13 2.72 3.01 -1.26 -4.97 119.74 124.01 1udl s LYS 18 Ca 0.06 -0.17 -0.30 0.00 -1.01 0.00 0.00 55.97 54.55 1udl s LYS 18 Cb -0.16 -4.67 -0.06 0.00 -1.01 0.00 0.00 37.83 31.92 1udl s LYS 18 CO 0.08 -2.61 1.02 -1.17 0.51 0.00 0.00 175.35 173.18 1udl s LEU 19 N 7.56 4.48 0.98 3.17 2.96 -1.26 -5.03 118.68 131.53 1udl s LEU 19 Ca 0.55 1.90 -0.12 0.00 -0.22 0.00 0.00 54.13 56.24 1udl s LEU 19 Cb -0.08 -3.59 0.18 0.00 0.50 0.00 0.00 46.19 43.20 1udl s LEU 19 CO 0.08 -0.15 1.08 -1.48 -1.32 0.00 0.00 176.35 174.57 1udl s LEU 20 N -0.02 1.88 0.00 -0.68 0.05 -1.26 -4.75 118.68 113.90 1udl s LEU 20 Ca 0.49 1.51 0.00 0.00 0.05 0.00 0.00 54.13 56.17 1udl s LEU 20 Cb -0.26 -3.76 0.00 0.00 -2.05 0.00 0.00 46.19 40.12 1udl s LEU 20 CO 0.31 -3.13 0.00 0.61 -0.55 0.00 0.00 176.35 173.60 1udl n GLY 21 N -0.57 0.98 0.00 -3.48 0.00 -1.26 -4.84 105.19 96.02 1udl n GLY 21 Ca 0.06 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.79 1udl n GLY 21 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1udl n PRO 22 N 0.00 0.48 -3.96 1.61 -0.04 -1.26 -4.83 135.00 127.00 1udl n PRO 22 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 1udl n PRO 22 Cb 0.00 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.10 1udl n PRO 22 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1udl n SER 23 N -0.85 -3.60 -3.64 3.54 3.41 -1.26 -4.91 113.62 106.32 1udl n SER 23 Ca 0.08 -0.81 -0.11 0.00 -0.26 0.00 0.00 58.87 57.77 1udl n SER 23 Cb 0.04 -2.94 -0.07 0.00 -0.26 0.00 0.00 64.21 60.98 1udl n SER 23 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1udl s SER 24 N -3.13 -0.57 0.43 4.04 1.04 -1.26 -5.17 113.70 109.09 1udl s SER 24 Ca 0.65 1.08 -0.12 0.00 0.48 0.00 0.00 55.95 58.05 1udl s SER 24 Cb -0.35 1.10 -0.07 0.00 0.10 0.00 0.00 66.02 66.81 1udl s SER 24 CO 0.80 -0.19 0.82 -1.83 0.98 0.00 0.00 173.24 173.83 1udl s GLU 25 N 0.33 3.81 0.01 4.02 1.03 -1.26 -5.04 118.70 121.59 1udl s GLU 25 Ca 0.02 0.58 -0.01 0.00 0.03 0.00 0.00 54.97 55.58 1udl s GLU 25 Cb -0.05 -2.33 -0.04 0.00 -0.80 0.00 0.00 34.13 30.91 1udl s GLU 25 CO -0.04 -0.10 0.15 1.03 -1.33 0.00 0.00 175.26 174.97 1udl s ARG 26 N -3.93 3.30 -0.40 -4.83 0.52 -1.26 -5.08 118.95 107.26 1udl s ARG 26 Ca 0.53 -0.41 -0.09 0.00 -0.52 0.00 0.00 55.73 55.24 1udl s ARG 26 Cb -0.10 -3.00 0.07 0.00 0.52 0.00 0.00 34.95 32.44 1udl s ARG 26 CO 0.32 0.65 0.23 0.00 0.02 0.00 0.00 175.30 176.52 1udl s ALA 27 N -1.32 3.24 -0.55 2.13 0.00 -1.26 -5.03 121.76 118.97 1udl s ALA 27 Ca 0.27 -2.08 -0.00 0.00 0.00 0.00 0.00 51.96 50.15 1udl s ALA 27 Cb -0.12 -2.57 0.14 0.00 0.00 0.00 0.00 23.12 20.56 1udl s ALA 27 CO 0.19 -1.59 0.33 0.95 0.00 0.00 0.00 175.76 175.64 1udl s THR 28 N 1.42 3.23 -1.92 0.00 -4.23 -1.26 -4.92 115.64 107.95 1udl s THR 28 Ca 0.02 -2.91 0.16 0.00 -1.18 0.00 0.00 61.69 57.78 1udl s THR 28 Cb -0.22 -3.17 0.42 0.00 1.34 0.00 0.00 72.50 70.87 1udl s THR 28 CO 0.02 -0.81 1.35 -0.81 -0.54 0.00 0.00 174.62 173.83 1udl n PRO 29 N 3.57 0.45 -2.69 3.99 -0.04 -1.26 -4.49 135.00 134.53 1udl n PRO 29 Ca 0.05 0.02 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1udl n PRO 29 Cb 0.37 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.31 1udl n PRO 29 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl s ALA 30 N -2.08 3.07 0.35 0.55 0.00 -1.26 -4.99 121.76 117.40 1udl s ALA 30 Ca 0.22 -2.58 -0.04 0.00 0.00 0.00 0.00 51.96 49.56 1udl s ALA 30 Cb 0.11 -4.40 -0.04 0.00 0.00 0.00 0.00 23.12 18.79 1udl s ALA 30 CO 0.19 -3.34 0.61 -0.59 0.00 0.00 0.00 175.76 172.63 1udl s PHE 31 N 4.01 3.50 -0.15 0.00 -0.71 -1.26 -5.09 117.98 118.28 1udl s PHE 31 Ca 0.44 0.62 -0.02 0.00 -1.04 0.00 0.00 56.93 56.93 1udl s PHE 31 Cb -0.01 -2.11 0.05 0.00 -1.21 0.00 0.00 43.02 39.74 1udl s PHE 31 CO -0.06 0.05 0.01 -1.01 -1.34 0.00 0.00 175.22 172.87 1udl s HIS 32 N -2.30 1.00 1.09 3.49 3.76 -1.26 -5.15 115.29 115.92 1udl s HIS 32 Ca 0.44 -0.64 -0.15 0.00 -0.15 0.00 0.00 55.06 54.56 1udl s HIS 32 Cb -0.10 -0.99 0.23 0.00 1.11 0.00 0.00 32.58 32.83 1udl s HIS 32 CO 0.35 -0.51 1.10 -1.25 -0.85 0.00 0.00 174.74 173.57 1udl s PRO 33 N 1.87 -0.30 -0.17 8.40 0.04 -1.26 -4.95 135.00 138.62 1udl s PRO 33 Ca 0.02 0.26 0.17 0.00 0.04 0.00 0.00 61.00 61.49 1udl s PRO 33 Cb -0.15 -1.67 -0.25 0.00 0.04 0.00 0.00 34.50 32.47 1udl s PRO 33 CO -0.07 -3.17 0.18 1.55 0.04 0.00 0.00 177.00 175.53 1udl n VAL 34 N -4.44 1.38 -3.94 -0.36 3.14 0.11 -4.94 118.33 109.29 1udl n VAL 34 Ca 0.08 -0.84 -0.01 0.00 -2.96 0.00 0.00 64.34 60.62 1udl n VAL 34 Cb 0.58 -0.53 0.02 0.00 -1.06 0.00 0.00 33.84 32.85 1udl n VAL 34 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1udl s GLN 36 N -2.07 2.26 0.47 0.00 0.74 -1.26 -1.25 119.66 118.54 1udl s GLN 36 Ca 0.26 -0.55 0.04 0.00 0.05 0.00 0.00 55.36 55.16 1udl s GLN 36 Cb -0.02 -2.06 -0.04 0.00 1.10 0.00 0.00 33.01 32.00 1udl s GLN 36 CO 0.03 -0.21 0.06 0.14 -0.55 0.00 0.00 175.29 174.76 1udl s VAL 37 N 1.43 1.65 0.03 1.34 -7.23 0.16 -3.11 120.40 114.67 1udl s VAL 37 Ca 0.03 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 1udl s VAL 37 Cb -0.13 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1udl s VAL 37 CO -0.09 0.00 -0.12 -0.51 -0.31 0.00 0.00 175.10 174.07 1udl s ILE 38 N -2.77 0.91 0.14 -0.62 2.07 -1.00 -3.04 121.20 116.88 1udl s ILE 38 Ca 0.23 -0.86 -0.31 0.00 -1.41 0.00 0.00 60.65 58.30 1udl s ILE 38 Cb 0.05 -0.83 -0.09 0.00 0.13 0.00 0.00 42.46 41.72 1udl s ILE 38 CO 0.12 -0.02 1.43 0.00 -1.91 0.00 0.00 174.94 174.56 1udl s ALA 39 N -0.78 3.63 -0.02 1.50 0.00 -1.25 -1.15 121.76 123.69 1udl s ALA 39 Ca 0.00 1.19 0.08 0.00 0.00 0.00 0.00 51.96 53.23 1udl s ALA 39 Cb -0.07 -3.55 -0.24 0.00 0.00 0.00 0.00 23.12 19.26 1udl s ALA 39 CO 0.01 -0.65 0.74 0.52 0.00 0.00 0.00 175.76 176.37 1udl h MET 40 N 6.60 0.06 -4.39 0.00 0.00 -1.75 -0.99 114.93 114.45 1udl h MET 40 Ca -0.43 -0.10 -0.23 0.00 0.00 0.00 0.00 59.70 58.95 1udl h MET 40 Cb 1.21 0.04 -0.20 0.00 0.00 0.00 0.00 31.60 32.65 1udl h MET 40 CO 0.86 0.71 -0.72 0.71 0.00 0.00 0.00 176.91 178.48 1udl s TYR 41 N -2.61 0.57 -0.54 -0.22 2.02 -1.26 -4.83 117.35 110.48 1udl s TYR 41 Ca -0.06 -0.60 -0.26 0.00 -0.37 0.00 0.00 57.07 55.78 1udl s TYR 41 Cb 0.08 -0.35 -0.08 0.00 -0.40 0.00 0.00 41.96 41.21 1udl s TYR 41 CO 0.82 -0.14 2.41 -0.51 -1.57 0.00 0.00 175.55 176.56 1udl s ASP 42 N -1.81 4.34 0.04 2.29 1.11 -1.26 -4.04 116.67 117.33 1udl s ASP 42 Ca -0.08 0.92 -0.20 0.00 0.18 0.00 0.00 52.55 53.37 1udl s ASP 42 Cb -0.07 -2.51 -0.06 0.00 1.07 0.00 0.00 42.92 41.35 1udl s ASP 42 CO -0.01 -3.05 0.60 -0.47 1.18 0.00 0.00 175.17 173.42 1udl s TYR 43 N 12.66 3.75 -0.24 4.23 6.14 0.43 -4.90 117.35 139.43 1udl s TYR 43 Ca 0.97 1.27 0.00 0.00 0.64 0.00 0.00 57.07 59.95 1udl s TYR 43 Cb -0.16 -2.58 0.06 0.00 0.42 0.00 0.00 41.96 39.70 1udl s TYR 43 CO 0.23 0.46 -0.03 0.00 0.64 0.00 0.00 175.55 176.85 1udl s ALA 44 N -0.62 1.86 -0.26 3.97 0.00 -1.26 -0.47 121.76 124.97 1udl s ALA 44 Ca 0.31 -1.35 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 1udl s ALA 44 Cb -0.19 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 1udl s ALA 44 CO 0.19 -1.24 1.74 0.00 0.00 0.00 0.00 175.76 176.44 1udl s ALA 45 N 1.44 3.07 0.56 0.00 0.00 -1.23 -4.84 121.76 120.76 1udl s ALA 45 Ca -0.03 0.41 0.33 0.00 0.00 0.00 0.00 51.96 52.66 1udl s ALA 45 Cb -0.19 -3.94 1.79 0.00 0.00 0.00 0.00 23.12 20.78 1udl s ALA 45 CO -0.08 -2.30 2.00 -0.91 0.00 0.00 0.00 175.76 174.47 1udl h ASN 46 N 11.93 0.00 -3.10 0.00 2.35 -1.93 -3.44 115.58 121.39 1udl h ASN 46 Ca -0.35 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.31 1udl h ASN 46 Cb 1.17 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.52 1udl h ASN 46 CO 1.01 0.00 0.13 -0.46 -1.65 0.00 0.00 177.43 176.47 1udl n ASN 47 N -2.84 -1.84 0.25 5.81 6.94 -1.26 -5.03 115.26 117.29 1udl n ASN 47 Ca -0.02 -2.54 0.08 0.00 -0.02 0.00 0.00 54.58 52.08 1udl n ASN 47 Cb 0.26 3.14 0.63 0.00 -2.36 0.00 0.00 39.78 41.45 1udl n ASN 47 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1udl h GLU 48 N 0.00 0.00 -0.88 -3.83 4.11 -2.02 -2.40 114.58 109.57 1udl h GLU 48 Ca -0.29 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.23 1udl h GLU 48 Cb 1.11 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.29 1udl h GLU 48 CO 0.37 0.10 0.53 0.22 0.07 0.00 0.00 179.01 180.30 1udl h ASP 49 N 0.00 0.80 -2.36 3.06 3.58 -1.95 -3.43 116.42 116.11 1udl h ASP 49 Ca -0.00 0.03 -0.45 0.00 0.42 0.00 0.00 57.03 57.03 1udl h ASP 49 Cb 0.18 -0.13 0.06 0.00 1.72 0.00 0.00 39.33 41.17 1udl h ASP 49 CO 0.01 0.48 0.04 -1.61 -2.88 0.00 0.00 179.24 175.28 1udl s GLU 50 N -6.03 2.12 -0.17 0.28 2.02 -0.90 -2.92 118.70 113.09 1udl s GLU 50 Ca -0.12 -0.93 -0.03 0.00 0.02 0.00 0.00 54.97 53.91 1udl s GLU 50 Cb 0.19 -2.40 -0.02 0.00 0.10 0.00 0.00 34.13 32.00 1udl s GLU 50 CO 0.79 -1.08 -0.07 -1.17 0.02 0.00 0.00 175.26 173.76 1udl s LEU 51 N -4.96 2.97 -0.35 1.80 0.20 -0.90 -4.37 118.68 113.08 1udl s LEU 51 Ca 0.62 -0.28 -0.15 0.00 0.69 0.00 0.00 54.13 55.00 1udl s LEU 51 Cb -0.08 -1.72 -0.01 0.00 -0.43 0.00 0.00 46.19 43.95 1udl s LEU 51 CO 0.41 0.10 0.37 -0.44 -0.29 0.00 0.00 176.35 176.50 1udl s SER 52 N 0.75 6.18 0.18 3.68 0.01 -1.26 -3.58 113.70 119.67 1udl s SER 52 Ca -0.03 -0.26 -0.05 0.00 1.31 0.00 0.00 55.95 56.92 1udl s SER 52 Cb -0.15 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1udl s SER 52 CO 0.02 -0.36 0.21 0.72 0.41 0.00 0.00 173.24 174.24 1udl s PHE 53 N 2.03 0.77 0.15 2.43 -0.71 0.38 -4.89 117.98 118.13 1udl s PHE 53 Ca 0.12 -1.09 0.10 0.00 -1.04 0.00 0.00 56.93 55.02 1udl s PHE 53 Cb -0.17 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 1udl s PHE 53 CO 0.12 -0.69 -0.18 -1.12 -1.34 0.00 0.00 175.22 172.00 1udl s SER 54 N -3.06 3.82 -0.22 1.98 0.01 -1.26 -0.43 113.70 114.55 1udl s SER 54 Ca 0.27 -0.65 -0.42 0.00 1.31 0.00 0.00 55.95 56.46 1udl s SER 54 Cb 0.05 -0.49 -0.19 0.00 0.21 0.00 0.00 66.02 65.59 1udl s SER 54 CO 0.06 0.15 1.38 1.17 0.41 0.00 0.00 173.24 176.42 1udl n LYS 55 N 0.52 0.26 -1.58 12.44 4.81 -1.26 -1.36 118.16 131.99 1udl n LYS 55 Ca -0.14 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.40 1udl n LYS 55 Cb 0.54 -1.63 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1udl n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1udl n GLY 56 N 2.90 0.82 3.94 3.14 0.00 -0.38 -4.96 105.19 110.65 1udl n GLY 56 Ca 0.25 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1udl n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1udl s GLN 57 N -3.35 2.84 -0.59 1.61 2.00 -0.47 -4.88 119.66 116.82 1udl s GLN 57 Ca 0.00 -0.31 -0.22 0.00 -2.00 0.00 0.00 55.36 52.83 1udl s GLN 57 Cb 0.00 -2.39 0.06 0.00 0.80 0.00 0.00 33.01 31.48 1udl s GLN 57 CO 0.00 -0.61 0.86 -1.17 -0.50 0.00 0.00 175.29 173.87 1udl s LEU 58 N -4.83 4.55 -0.07 3.68 2.96 -1.26 -3.84 118.68 119.86 1udl s LEU 58 Ca 0.53 -0.86 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1udl s LEU 58 Cb -0.10 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.07 1udl s LEU 58 CO 0.42 -1.24 -0.17 -0.63 -1.32 0.00 0.00 176.35 173.40 1udl s ILE 59 N 3.59 1.50 -0.30 6.68 1.01 -1.17 -3.89 121.20 128.62 1udl s ILE 59 Ca 0.22 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1udl s ILE 59 Cb -0.17 -1.32 0.08 0.00 0.01 0.00 0.00 42.46 41.07 1udl s ILE 59 CO 0.12 0.43 -0.00 0.20 0.00 0.00 0.00 174.94 175.70 1udl s ASN 60 N 0.38 4.49 0.04 3.58 -0.87 -1.22 -0.67 114.94 120.68 1udl s ASN 60 Ca -0.13 -1.78 -0.32 0.00 -1.57 0.00 0.00 52.86 49.07 1udl s ASN 60 Cb -0.15 -1.47 -0.10 0.00 -0.02 0.00 0.00 41.25 39.50 1udl s ASN 60 CO 0.05 -0.31 1.89 0.52 -2.57 0.00 0.00 177.10 176.68 1udl n VAL 61 N 4.41 0.56 -0.05 1.60 0.31 -0.38 -3.32 118.33 121.46 1udl n VAL 61 Ca -0.03 -0.10 -0.07 0.00 -0.01 0.00 0.00 64.34 64.12 1udl n VAL 61 Cb 0.42 -2.12 -0.06 0.00 -0.91 0.00 0.00 33.84 31.18 1udl n VAL 61 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1udl n MET 62 N 6.53 0.74 -3.75 5.55 2.81 0.83 0.05 117.12 129.89 1udl n MET 62 Ca 0.20 0.05 -0.29 0.00 -1.81 0.00 0.00 57.70 55.85 1udl n MET 62 Cb 0.37 -1.23 -0.16 0.00 -0.71 0.00 0.00 33.22 31.49 1udl n MET 62 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1udl s ASN 63 N -4.90 3.53 -0.35 7.83 -0.87 -1.24 -4.19 114.94 114.76 1udl s ASN 63 Ca -0.13 -1.24 0.06 0.00 -1.57 0.00 0.00 52.86 49.98 1udl s ASN 63 Cb 0.04 -0.76 0.46 0.00 -0.02 0.00 0.00 41.25 40.97 1udl s ASN 63 CO 0.28 -0.35 1.39 2.29 -2.57 0.00 0.00 177.10 178.14 1udl n LYS 64 N 4.93 2.92 -0.33 -0.60 2.85 -1.26 -2.61 118.16 124.05 1udl n LYS 64 Ca -0.06 -3.75 0.18 0.00 -1.05 0.00 0.00 58.31 53.62 1udl n LYS 64 Cb 0.44 -2.13 0.38 0.00 -0.65 0.00 0.00 35.03 33.08 1udl n LYS 64 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1udl h ASP 65 N 1.80 0.55 -3.45 -5.58 3.04 -1.93 -3.37 116.42 107.49 1udl h ASP 65 Ca 0.35 0.15 -0.62 0.00 -3.24 0.00 0.00 57.03 53.67 1udl h ASP 65 Cb 1.39 0.08 -0.16 0.00 -1.04 0.00 0.00 39.33 39.60 1udl h ASP 65 CO 0.76 0.03 -0.55 -1.81 -2.04 0.00 0.00 179.24 175.63 1udl s ASP 66 N -5.14 5.74 0.00 4.15 1.01 -1.26 -4.96 116.67 116.21 1udl s ASP 66 Ca -0.11 0.05 0.11 0.00 0.71 0.00 0.00 52.55 53.31 1udl s ASP 66 Cb 0.27 -2.01 0.64 0.00 1.01 0.00 0.00 42.92 42.83 1udl s ASP 66 CO 0.79 0.10 1.08 -0.81 0.21 0.00 0.00 175.17 176.54 1udl n PRO 67 N 4.03 0.49 -0.14 8.23 -0.04 -1.26 -3.01 135.00 143.30 1udl n PRO 67 Ca -0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.01 1udl n PRO 67 Cb 0.52 -1.35 -0.10 0.00 -0.04 0.00 0.00 33.50 32.53 1udl n PRO 67 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1udl n ASP 68 N -0.85 1.95 -4.26 3.54 9.92 -1.26 -4.79 116.55 120.81 1udl n ASP 68 Ca 0.08 0.35 -0.26 0.00 -0.53 0.00 0.00 54.79 54.43 1udl n ASP 68 Cb 0.04 -0.83 -0.14 0.00 -0.64 0.00 0.00 41.12 39.54 1udl n ASP 68 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 1udl s TRP 69 N -2.50 1.86 0.38 1.24 0.52 -1.16 -0.83 118.94 118.45 1udl s TRP 69 Ca -0.38 -0.38 0.06 0.00 0.02 0.00 0.00 56.10 55.42 1udl s TRP 69 Cb 0.14 -1.11 -0.07 0.00 -1.15 0.00 0.00 33.47 31.27 1udl s TRP 69 CO 0.50 0.09 0.03 -1.58 0.02 0.00 0.00 176.95 176.01 1udl s TRP 70 N -0.79 2.30 -0.08 -1.98 0.51 0.74 -4.24 118.94 115.40 1udl s TRP 70 Ca 0.08 -0.78 0.02 0.00 -2.12 0.00 0.00 56.10 53.29 1udl s TRP 70 Cb -0.09 -1.59 0.01 0.00 -0.81 0.00 0.00 33.47 30.99 1udl s TRP 70 CO 0.02 0.28 -0.13 -1.14 -0.51 0.00 0.00 176.95 175.47 1udl s GLN 71 N -3.78 1.86 0.27 4.98 0.74 -1.07 -2.61 119.66 120.04 1udl s GLN 71 Ca 0.35 -0.45 0.02 0.00 0.05 0.00 0.00 55.36 55.34 1udl s GLN 71 Cb 0.09 -1.58 -0.04 0.00 1.10 0.00 0.00 33.01 32.59 1udl s GLN 71 CO 0.17 -0.02 0.16 0.20 -0.55 0.00 0.00 175.29 175.25 1udl s GLY 72 N 0.86 1.89 -0.02 2.59 0.00 -1.26 -0.12 107.32 111.26 1udl s GLY 72 Ca -0.10 -1.80 0.07 0.00 0.00 0.00 0.00 44.72 42.88 1udl s GLY 72 CO 0.01 -1.51 -0.23 -1.83 0.00 0.00 0.00 173.10 169.54 1udl s GLU 73 N -3.88 2.19 -0.31 2.90 -1.05 -1.21 -3.61 118.70 113.74 1udl s GLU 73 Ca 0.38 -0.88 -0.02 0.00 -0.15 0.00 0.00 54.97 54.29 1udl s GLU 73 Cb 0.05 -2.13 0.10 0.00 -0.44 0.00 0.00 34.13 31.72 1udl s GLU 73 CO 0.17 0.57 0.12 0.42 0.95 0.00 0.00 175.26 177.49 1udl s ILE 74 N -0.67 0.54 -0.94 1.83 1.01 0.13 -3.40 121.20 119.70 1udl s ILE 74 Ca 0.11 -1.22 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 1udl s ILE 74 Cb -0.10 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.95 1udl s ILE 74 CO -0.00 -0.71 0.79 0.59 0.00 0.00 0.00 174.94 175.60 1udl n ASN 75 N 4.93 -2.16 0.00 3.58 3.02 -1.26 -2.31 115.26 121.05 1udl n ASN 75 Ca -0.03 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1udl n ASN 75 Cb 0.42 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.48 1udl n ASN 75 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1udl n GLY 76 N -1.12 0.33 3.64 7.41 0.00 -1.26 -5.00 105.19 109.18 1udl n GLY 76 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1udl n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1udl s VAL 77 N -1.69 4.02 0.03 1.61 0.11 -0.98 -5.12 120.40 118.38 1udl s VAL 77 Ca 0.00 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 58.75 1udl s VAL 77 Cb 0.00 -2.68 -0.02 0.00 -1.53 0.00 0.00 36.38 32.15 1udl s VAL 77 CO 0.00 0.59 -0.24 0.42 -3.33 0.00 0.00 175.10 172.54 1udl s THR 78 N -0.86 1.89 0.00 5.04 -4.23 -1.26 0.18 115.64 116.40 1udl s THR 78 Ca 0.13 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 1udl s THR 78 Cb -0.11 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.11 1udl s THR 78 CO 0.02 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 1udl n GLY 79 N 2.02 3.25 3.03 3.99 0.00 -1.24 -4.91 105.19 111.34 1udl n GLY 79 Ca -0.17 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 1udl n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1udl s LEU 80 N 0.00 1.82 0.05 0.99 1.43 -1.15 -4.31 118.68 117.51 1udl s LEU 80 Ca 0.00 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 1udl s LEU 80 Cb 0.00 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.63 1udl s LEU 80 CO 0.00 0.09 0.44 0.72 0.23 0.00 0.00 176.35 177.83 1udl s PHE 81 N 0.15 -0.31 0.45 0.29 -0.12 -1.07 -2.11 117.98 115.26 1udl s PHE 81 Ca -0.03 0.27 -0.23 0.00 -0.05 0.00 0.00 56.93 56.89 1udl s PHE 81 Cb -0.09 0.26 -0.08 0.00 -0.63 0.00 0.00 43.02 42.48 1udl s PHE 81 CO 0.01 -0.60 1.17 -1.25 -0.05 0.00 0.00 175.22 174.49 1udl s PRO 82 N -2.55 3.80 0.00 1.99 0.04 -1.26 -0.19 135.00 136.83 1udl s PRO 82 Ca -0.05 1.78 0.08 0.00 0.04 0.00 0.00 61.00 62.86 1udl s PRO 82 Cb -0.01 -2.44 0.48 0.00 0.04 0.00 0.00 34.50 32.58 1udl s PRO 82 CO -0.03 -0.52 1.16 -1.13 0.04 0.00 0.00 177.00 176.52 1udl n SER 83 N -0.41 0.00 -0.00 6.66 3.41 -0.01 -2.48 113.62 120.79 1udl n SER 83 Ca 0.07 -1.39 0.09 0.00 -0.26 0.00 0.00 58.87 57.38 1udl n SER 83 Cb 0.48 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.31 1udl n SER 83 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1udl n ASN 84 N -0.65 0.79 -2.04 4.04 3.02 -1.26 -4.28 115.26 114.88 1udl n ASN 84 Ca 0.06 -0.67 -0.10 0.00 -0.03 0.00 0.00 54.58 53.84 1udl n ASN 84 Cb 0.03 1.26 0.27 0.00 -0.61 0.00 0.00 39.78 40.73 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1udl n TYR 85 N -1.66 2.55 -3.73 3.10 4.02 -1.03 -4.91 117.16 115.50 1udl n TYR 85 Ca 0.01 -1.33 -0.14 0.00 -0.01 0.00 0.00 57.90 56.44 1udl n TYR 85 Cb 0.36 -0.74 -0.09 0.00 -0.02 0.00 0.00 39.34 38.85 1udl n TYR 85 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1udl s VAL 86 N -2.96 0.04 -0.08 -0.72 -7.23 -1.26 -2.02 120.40 106.16 1udl s VAL 86 Ca 0.54 -0.30 0.03 0.00 -1.81 0.00 0.00 61.98 60.44 1udl s VAL 86 Cb 0.43 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.74 1udl s VAL 86 CO 0.13 -0.16 -0.18 -0.75 -0.31 0.00 0.00 175.10 173.83 1udl s LYS 87 N -0.92 2.33 -0.40 4.82 2.20 -0.30 -4.90 119.74 122.57 1udl s LYS 87 Ca -0.10 -0.63 -0.33 0.00 -0.36 0.00 0.00 55.97 54.56 1udl s LYS 87 Cb -0.04 -1.83 -0.11 0.00 -1.51 0.00 0.00 37.83 34.34 1udl s LYS 87 CO 0.04 0.09 2.27 -1.33 -0.36 0.00 0.00 175.35 176.06 1udl n MET 88 N 3.72 1.09 -0.21 4.03 2.81 -1.26 -2.37 117.12 124.92 1udl n MET 88 Ca -0.21 0.26 0.02 0.00 -1.81 0.00 0.00 57.70 55.95 1udl n MET 88 Cb 0.52 -2.62 0.12 0.00 -0.71 0.00 0.00 33.22 30.53 1udl n MET 88 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1udl h THR 89 N 7.26 0.57 -5.31 2.03 1.35 -1.86 -3.46 112.91 113.48 1udl h THR 89 Ca -0.27 -0.08 -0.38 0.00 -0.55 0.00 0.00 66.41 65.14 1udl h THR 89 Cb 1.30 0.33 0.12 0.00 -1.73 0.00 0.00 68.15 68.17 1udl h THR 89 CO 1.06 0.04 -0.63 0.41 -0.25 0.00 0.00 175.52 176.15 1udl n THR 90 N -5.18 -2.65 -3.54 6.82 -1.04 -1.26 -4.97 114.28 102.46 1udl n THR 90 Ca 0.10 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.70 1udl n THR 90 Cb 0.36 -3.76 -0.08 0.00 -1.82 0.00 0.00 70.33 65.03 1udl n THR 90 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1udl s ASP 91 N -3.19 5.72 -0.64 8.00 1.01 -1.26 -5.04 116.67 121.27 1udl s ASP 91 Ca 0.50 -1.92 -0.27 0.00 0.71 0.00 0.00 52.55 51.57 1udl s ASP 91 Cb -0.22 -2.02 0.01 0.00 1.01 0.00 0.00 42.92 41.70 1udl s ASP 91 CO 0.62 -0.70 1.49 -0.44 0.21 0.00 0.00 175.17 176.36 1udl s SER 92 N 2.70 5.89 0.08 0.27 0.01 -1.26 -4.94 113.70 116.45 1udl s SER 92 Ca 0.06 0.03 -0.36 0.00 1.31 0.00 0.00 55.95 56.99 1udl s SER 92 Cb -0.26 -2.55 -0.18 0.00 0.21 0.00 0.00 66.02 63.24 1udl s SER 92 CO -0.01 -1.95 0.95 -0.24 0.41 0.00 0.00 173.24 172.40 1udl n SER 93 N 10.42 -0.10 0.00 2.44 2.88 -1.26 -4.90 113.62 123.10 1udl n SER 93 Ca 0.11 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 1udl n SER 93 Cb 0.50 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1udl n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1udl n GLY 94 N 1.75 -2.85 3.77 0.46 0.00 -1.26 -4.75 105.19 102.31 1udl n GLY 94 Ca 0.19 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 1udl n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1udl s PRO 95 N -2.10 2.50 -1.04 1.61 0.04 -1.26 -4.97 135.00 129.78 1udl s PRO 95 Ca 0.00 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.16 1udl s PRO 95 Cb 0.00 -1.92 0.19 0.00 0.04 0.00 0.00 34.50 32.81 1udl s PRO 95 CO 0.00 -1.47 1.16 -1.54 0.04 0.00 0.00 177.00 175.19 1udl s SER 96 N -3.03 6.92 0.10 6.66 1.04 -1.26 -5.02 113.70 119.12 1udl s SER 96 Ca 0.64 -2.75 -0.05 0.00 0.48 0.00 0.00 55.95 54.27 1udl s SER 96 Cb -0.19 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 1udl s SER 96 CO 0.49 -0.73 0.33 -0.44 0.98 0.00 0.00 173.24 173.87 1udl s SER 97 N 2.69 6.48 0.00 7.02 0.01 -1.26 -5.26 113.70 123.38 1udl s SER 97 Ca 0.33 0.55 0.10 0.00 1.31 0.00 0.00 55.95 58.24 1udl s SER 97 Cb -0.06 -2.08 0.57 0.00 0.21 0.00 0.00 66.02 64.66 1udl s SER 97 CO -0.06 0.12 1.02 0.61 0.41 0.00 0.00 173.24 175.34