#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl h SER 2 N 0.00 0.02 -3.45 1.61 0.87 -2.10 -3.39 113.55 107.11 1udl h SER 2 Ca 0.00 0.01 -0.61 0.00 -1.23 0.00 0.00 61.79 59.96 1udl h SER 2 Cb 0.00 0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 61.86 1udl h SER 2 CO 0.00 0.03 0.33 -0.55 -0.53 0.00 0.00 176.83 176.11 1udl s SER 3 N -5.24 6.63 -0.10 6.23 0.15 -1.26 -4.95 113.70 115.17 1udl s SER 3 Ca -0.13 0.65 -0.27 0.00 0.70 0.00 0.00 55.95 56.89 1udl s SER 3 Cb 0.07 -2.39 -0.23 0.00 -1.71 0.00 0.00 66.02 61.76 1udl s SER 3 CO 0.67 -0.56 0.91 1.23 1.20 0.00 0.00 173.24 176.70 1udl h GLY 4 N 9.33 -0.01 -4.57 9.45 0.00 -2.09 -3.44 103.07 111.73 1udl h GLY 4 Ca -0.25 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.54 1udl h GLY 4 CO 0.86 -0.00 0.57 -0.45 0.00 0.00 0.00 176.54 177.52 1udl s SER 5 N -6.02 7.12 -0.19 0.19 0.15 -1.26 -4.94 113.70 108.75 1udl s SER 5 Ca -0.17 1.88 -0.14 0.00 0.70 0.00 0.00 55.95 58.22 1udl s SER 5 Cb -0.01 -2.57 -0.20 0.00 -1.71 0.00 0.00 66.02 61.52 1udl s SER 5 CO 0.67 -0.47 0.15 -1.20 1.20 0.00 0.00 173.24 173.59 1udl n SER 6 N 4.35 1.98 0.00 5.45 7.64 -1.26 -5.04 113.62 126.73 1udl n SER 6 Ca 0.09 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1udl n SER 6 Cb 0.47 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.80 1udl n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1udl n GLY 7 N 1.67 1.34 3.53 0.23 0.00 -1.26 -5.13 105.19 105.58 1udl n GLY 7 Ca -0.36 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.07 3.45 -0.98 1.61 1.11 -1.26 -5.01 119.66 117.51 1udl s GLN 8 Ca 0.00 -0.36 -0.23 0.00 0.01 0.00 0.00 55.36 54.79 1udl s GLN 8 Cb 0.00 -3.86 0.06 0.00 -1.01 0.00 0.00 33.01 28.20 1udl s GLN 8 CO 0.00 -0.73 1.39 0.21 0.01 0.00 0.00 175.29 176.17 1udl s LYS 9 N 2.35 3.56 0.30 2.91 2.47 -1.26 -4.87 119.74 125.20 1udl s LYS 9 Ca 0.17 -1.16 -0.00 0.00 -1.56 0.00 0.00 55.97 53.42 1udl s LYS 9 Cb -0.16 -5.21 0.69 0.00 -1.46 0.00 0.00 37.83 31.69 1udl s LYS 9 CO 0.14 -2.14 1.57 0.78 0.16 0.00 0.00 175.35 175.86 1udl h GLY 10 N 12.44 1.13 -3.39 5.54 0.00 -2.08 -3.40 103.07 113.31 1udl h GLY 10 Ca 0.16 0.20 -0.55 0.00 0.00 0.00 0.00 47.33 47.14 1udl h GLY 10 CO 1.37 -0.49 0.68 1.87 0.00 0.00 0.00 176.54 179.97 1udl n TRP 11 N -5.53 2.63 -3.59 5.60 -0.00 -1.26 -4.97 117.44 110.32 1udl n TRP 11 Ca 0.22 0.44 -0.40 0.00 -0.00 0.00 0.00 57.50 57.75 1udl n TRP 11 Cb 0.70 -2.44 -0.09 0.00 -0.00 0.00 0.00 31.31 29.48 1udl n TRP 11 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1udl s PHE 12 N -1.20 3.46 0.94 5.87 5.36 -1.26 -5.09 117.98 126.06 1udl s PHE 12 Ca 0.63 -2.01 -0.12 0.00 -0.96 0.00 0.00 56.93 54.47 1udl s PHE 12 Cb -0.45 -3.46 0.16 0.00 -0.34 0.00 0.00 43.02 38.93 1udl s PHE 12 CO 0.56 -0.98 1.09 -1.25 -1.46 0.00 0.00 175.22 173.18 1udl s PRO 13 N 1.20 0.88 -1.21 10.12 0.04 -1.26 -4.93 135.00 139.85 1udl s PRO 13 Ca 0.07 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 1udl s PRO 13 Cb -0.25 -1.78 0.10 0.00 0.04 0.00 0.00 34.50 32.62 1udl s PRO 13 CO -0.02 -2.46 1.56 0.00 0.04 0.00 0.00 177.00 176.12 1udl s ALA 14 N -2.95 3.45 -0.46 8.56 0.00 -1.26 -4.96 121.76 124.13 1udl s ALA 14 Ca 0.64 -2.95 -0.23 0.00 0.00 0.00 0.00 51.96 49.42 1udl s ALA 14 Cb -0.18 -4.43 0.03 0.00 0.00 0.00 0.00 23.12 18.53 1udl s ALA 14 CO 0.57 -3.16 0.81 -1.12 0.00 0.00 0.00 175.76 172.86 1udl s SER 15 N 3.87 6.41 0.18 0.00 0.01 -1.26 -5.04 113.70 117.86 1udl s SER 15 Ca 0.48 -0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.54 1udl s SER 15 Cb 0.01 -2.40 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1udl s SER 15 CO 0.02 -0.97 0.44 -2.28 0.41 0.00 0.00 173.24 170.86 1udl s HIS 16 N 3.40 3.46 -0.23 2.43 2.46 -1.26 -5.08 115.29 120.46 1udl s HIS 16 Ca 0.30 0.65 -0.07 0.00 0.47 0.00 0.00 55.06 56.41 1udl s HIS 16 Cb -0.12 -2.08 -0.03 0.00 -0.13 0.00 0.00 32.58 30.21 1udl s HIS 16 CO 0.22 0.37 0.07 0.14 -2.47 0.00 0.00 174.74 173.07 1udl s VAL 17 N -1.74 4.42 -0.52 0.89 -7.23 -1.26 -4.99 120.40 109.97 1udl s VAL 17 Ca 0.43 -0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.48 1udl s VAL 17 Cb -0.12 -3.05 0.44 0.00 0.56 0.00 0.00 36.38 34.22 1udl s VAL 17 CO 0.24 0.37 1.63 0.29 -0.31 0.00 0.00 175.10 177.32 1udl n LYS 18 N 4.59 3.12 -2.75 4.82 4.01 -1.26 -5.02 118.16 125.66 1udl n LYS 18 Ca -0.16 -3.76 -0.40 0.00 -0.51 0.00 0.00 58.31 53.48 1udl n LYS 18 Cb 0.52 -2.28 -0.06 0.00 -0.51 0.00 0.00 35.03 32.70 1udl n LYS 18 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1udl s LEU 19 N -3.74 4.64 0.05 -0.35 1.02 -1.26 -5.05 118.68 113.99 1udl s LEU 19 Ca 0.57 1.94 -0.10 0.00 0.02 0.00 0.00 54.13 56.55 1udl s LEU 19 Cb 0.45 -3.60 -0.06 0.00 0.02 0.00 0.00 46.19 43.00 1udl s LEU 19 CO -0.05 0.15 0.38 -1.48 0.02 0.00 0.00 176.35 175.37 1udl s LEU 20 N -1.14 4.38 0.00 1.79 0.05 -1.26 -5.04 118.68 117.46 1udl s LEU 20 Ca 0.41 0.79 0.00 0.00 0.05 0.00 0.00 54.13 55.38 1udl s LEU 20 Cb -0.26 -2.84 0.00 0.00 -2.05 0.00 0.00 46.19 41.05 1udl s LEU 20 CO 0.32 0.22 0.00 0.61 -0.55 0.00 0.00 176.35 176.95 1udl n GLY 21 N 1.15 3.91 0.00 -3.48 0.00 -1.26 -4.96 105.19 100.54 1udl n GLY 21 Ca -0.10 -1.97 0.05 0.00 0.00 0.00 0.00 46.02 44.01 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 0.49 -3.61 1.61 -0.04 -1.26 -4.46 135.00 127.73 1udl n PRO 22 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 1udl n PRO 22 Cb 0.00 -1.34 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 1udl n PRO 22 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1udl s SER 23 N -1.84 1.15 -0.60 3.54 0.01 -1.26 -5.09 113.70 109.61 1udl s SER 23 Ca 0.16 0.04 -0.30 0.00 1.31 0.00 0.00 55.95 57.16 1udl s SER 23 Cb 0.07 0.25 -0.12 0.00 0.21 0.00 0.00 66.02 66.43 1udl s SER 23 CO 0.12 -0.28 2.44 -0.24 0.41 0.00 0.00 173.24 175.69 1udl n SER 24 N 5.32 1.71 -4.65 2.44 2.88 -1.26 -4.92 113.62 115.13 1udl n SER 24 Ca -0.05 -0.06 -0.28 0.00 -1.33 0.00 0.00 58.87 57.14 1udl n SER 24 Cb 0.50 -1.31 -0.08 0.00 -0.75 0.00 0.00 64.21 62.56 1udl n SER 24 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1udl s GLU 25 N 7.93 2.39 -0.03 -1.46 4.04 -1.26 -5.10 118.70 125.20 1udl s GLU 25 Ca 1.12 -1.02 0.02 0.00 0.04 0.00 0.00 54.97 55.13 1udl s GLU 25 Cb -0.66 -2.39 -0.03 0.00 0.02 0.00 0.00 34.13 31.06 1udl s GLU 25 CO 0.39 0.49 -0.06 0.50 -1.84 0.00 0.00 175.26 174.73 1udl s ARG 26 N -2.64 2.67 -0.31 -4.83 3.52 -1.26 -5.03 118.95 111.06 1udl s ARG 26 Ca 0.26 -0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 55.07 1udl s ARG 26 Cb -0.10 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 1udl s ARG 26 CO 0.18 0.64 0.43 0.00 -0.81 0.00 0.00 175.30 175.74 1udl s ALA 27 N -0.91 3.52 0.01 6.12 0.00 -1.26 -5.06 121.76 124.18 1udl s ALA 27 Ca 0.15 -0.94 -0.19 0.00 0.00 0.00 0.00 51.96 50.98 1udl s ALA 27 Cb -0.11 -2.86 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 1udl s ALA 27 CO 0.05 -0.94 0.55 0.99 0.00 0.00 0.00 175.76 176.40 1udl s THR 28 N 2.20 4.90 -0.95 0.00 2.01 -1.26 -4.99 115.64 117.54 1udl s THR 28 Ca 0.16 1.15 -0.24 0.00 0.31 0.00 0.00 61.69 63.07 1udl s THR 28 Cb -0.16 -3.88 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1udl s THR 28 CO 0.11 0.47 1.94 -2.16 -0.69 0.00 0.00 174.62 174.30 1udl s PRO 29 N -0.51 2.55 -0.43 4.92 0.04 -1.26 -4.88 135.00 135.43 1udl s PRO 29 Ca 0.29 -0.44 0.02 0.00 0.04 0.00 0.00 61.00 60.91 1udl s PRO 29 Cb -0.18 -5.09 0.13 0.00 0.04 0.00 0.00 34.50 29.39 1udl s PRO 29 CO 0.16 -3.48 0.21 0.00 0.04 0.00 0.00 177.00 173.94 1udl s ALA 30 N 10.24 2.35 -0.24 8.56 0.00 -1.26 -5.09 121.76 136.32 1udl s ALA 30 Ca 0.70 -2.62 -0.08 0.00 0.00 0.00 0.00 51.96 49.96 1udl s ALA 30 Cb -0.06 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1udl s ALA 30 CO 0.02 -1.99 0.10 -0.59 0.00 0.00 0.00 175.76 173.30 1udl s PHE 31 N 0.41 3.17 -0.60 0.00 -0.71 -1.26 -5.05 117.98 113.93 1udl s PHE 31 Ca 0.16 -0.14 -0.07 0.00 -1.04 0.00 0.00 56.93 55.85 1udl s PHE 31 Cb -0.24 -2.24 0.16 0.00 -1.21 0.00 0.00 43.02 39.49 1udl s PHE 31 CO -0.03 -0.17 0.46 -3.38 -1.34 0.00 0.00 175.22 170.76 1udl s HIS 32 N 1.34 3.50 0.51 3.49 -3.43 -1.26 -5.08 115.29 114.37 1udl s HIS 32 Ca 0.06 -2.31 -0.21 0.00 -0.80 0.00 0.00 55.06 51.80 1udl s HIS 32 Cb -0.15 -3.41 -0.06 0.00 -1.43 0.00 0.00 32.58 27.53 1udl s HIS 32 CO 0.05 -0.93 1.14 -1.25 -2.00 0.00 0.00 174.74 171.75 1udl s PRO 33 N 0.49 3.50 0.18 -0.38 0.04 -1.26 -4.95 135.00 132.61 1udl s PRO 33 Ca 0.13 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 1udl s PRO 33 Cb -0.20 -2.15 0.08 0.00 0.04 0.00 0.00 34.50 32.27 1udl s PRO 33 CO -0.04 -0.74 1.77 0.28 0.04 0.00 0.00 177.00 178.31 1udl h VAL 34 N 1.44 1.20 -2.02 -0.36 2.07 0.18 -3.48 116.25 115.28 1udl h VAL 34 Ca -0.50 -0.55 0.24 0.00 0.82 0.00 0.00 66.70 66.71 1udl h VAL 34 Cb 1.26 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1udl h VAL 34 CO 0.58 0.23 0.66 0.00 0.02 0.00 0.00 177.57 179.06 1udl s GLN 36 N -2.02 3.17 0.39 0.00 0.74 -1.26 -0.94 119.66 119.73 1udl s GLN 36 Ca 0.23 -0.78 0.08 0.00 0.05 0.00 0.00 55.36 54.94 1udl s GLN 36 Cb -0.01 -2.57 -0.05 0.00 1.10 0.00 0.00 33.01 31.47 1udl s GLN 36 CO 0.00 0.02 0.12 0.14 -0.55 0.00 0.00 175.29 175.02 1udl s VAL 37 N 0.80 2.41 -0.09 1.34 -7.23 -0.38 -1.80 120.40 115.46 1udl s VAL 37 Ca -0.06 -1.79 0.04 0.00 -1.81 0.00 0.00 61.98 58.36 1udl s VAL 37 Cb -0.15 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 33.83 1udl s VAL 37 CO -0.00 -0.06 -0.23 -0.51 -0.31 0.00 0.00 175.10 173.99 1udl s ILE 38 N -2.58 2.19 -0.45 -0.62 2.07 -0.17 -3.73 121.20 117.91 1udl s ILE 38 Ca 0.39 -0.99 -0.27 0.00 -1.41 0.00 0.00 60.65 58.36 1udl s ILE 38 Cb 0.03 -1.83 -0.03 0.00 0.13 0.00 0.00 42.46 40.76 1udl s ILE 38 CO 0.21 0.56 1.90 0.00 -1.91 0.00 0.00 174.94 175.70 1udl s ALA 39 N 0.14 2.47 0.27 1.50 0.00 -1.26 -2.04 121.76 122.84 1udl s ALA 39 Ca -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 1udl s ALA 39 Cb -0.16 -4.16 0.37 0.00 0.00 0.00 0.00 23.12 19.17 1udl s ALA 39 CO 0.07 -3.31 1.85 0.52 0.00 0.00 0.00 175.76 174.89 1udl h MET 40 N 14.43 0.95 -4.81 0.00 0.00 -1.26 0.41 114.93 124.65 1udl h MET 40 Ca -0.30 -0.15 -0.32 0.00 0.00 0.00 0.00 59.70 58.93 1udl h MET 40 Cb 1.18 -0.16 -0.21 0.00 0.00 0.00 0.00 31.60 32.40 1udl h MET 40 CO 1.11 0.78 -0.75 0.71 0.00 0.00 0.00 176.91 178.76 1udl s TYR 41 N -5.43 0.84 -0.43 -0.22 2.02 -1.25 -4.82 117.35 108.06 1udl s TYR 41 Ca -0.11 -0.49 -0.27 0.00 -0.37 0.00 0.00 57.07 55.84 1udl s TYR 41 Cb 0.16 -0.49 -0.05 0.00 -0.40 0.00 0.00 41.96 41.18 1udl s TYR 41 CO 0.81 -0.04 2.18 0.16 -1.57 0.00 0.00 175.55 177.09 1udl s ASP 42 N -1.63 5.01 -0.00 2.29 -4.77 -1.26 -4.09 116.67 112.22 1udl s ASP 42 Ca -0.07 1.16 -0.23 0.00 -3.30 0.00 0.00 52.55 50.10 1udl s ASP 42 Cb -0.10 -2.51 -0.05 0.00 -1.09 0.00 0.00 42.92 39.17 1udl s ASP 42 CO 0.01 -2.43 0.70 -0.47 0.70 0.00 0.00 175.17 173.68 1udl s TYR 43 N 10.04 3.67 -0.24 2.11 6.14 0.87 -4.87 117.35 135.08 1udl s TYR 43 Ca 0.90 1.33 0.01 0.00 0.64 0.00 0.00 57.07 59.95 1udl s TYR 43 Cb -0.21 -2.75 0.06 0.00 0.42 0.00 0.00 41.96 39.48 1udl s TYR 43 CO 0.28 0.24 -0.05 0.00 0.64 0.00 0.00 175.55 176.67 1udl s ALA 44 N 0.15 1.99 -0.32 3.97 0.00 -1.26 0.86 121.76 127.15 1udl s ALA 44 Ca 0.36 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.61 1udl s ALA 44 Cb -0.19 -1.46 -0.07 0.00 0.00 0.00 0.00 23.12 21.40 1udl s ALA 44 CO 0.20 -1.23 2.26 0.00 0.00 0.00 0.00 175.76 177.00 1udl n ALA 45 N 4.66 1.41 0.31 0.00 0.00 -1.25 -4.80 120.51 120.84 1udl n ALA 45 Ca -0.11 -0.32 0.16 0.00 0.00 0.00 0.00 53.44 53.17 1udl n ALA 45 Cb 0.44 -2.86 0.69 0.00 0.00 0.00 0.00 19.45 17.72 1udl n ALA 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1udl h ASN 46 N 15.10 0.00 -4.28 0.00 2.35 -1.94 -3.45 115.58 123.35 1udl h ASN 46 Ca -0.34 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.00 1udl h ASN 46 Cb 1.27 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.54 1udl h ASN 46 CO 1.02 0.00 -0.36 -0.46 -1.65 0.00 0.00 177.43 175.98 1udl n ASN 47 N -2.76 0.68 -1.64 5.81 0.23 -1.26 -5.03 115.26 111.29 1udl n ASN 47 Ca 0.00 -2.67 -0.12 0.00 -0.53 0.00 0.00 54.58 51.26 1udl n ASN 47 Cb 0.23 0.93 0.09 0.00 -2.08 0.00 0.00 39.78 38.94 1udl n ASN 47 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1udl n GLU 48 N -0.64 1.65 0.00 -3.83 1.02 -1.26 -3.74 120.64 113.84 1udl n GLU 48 Ca -0.02 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 1udl n GLU 48 Cb 0.47 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1udl n GLU 48 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1udl n ASP 49 N -0.30 3.19 -4.92 1.62 2.03 -1.26 -5.08 116.55 111.83 1udl n ASP 49 Ca 0.30 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.35 1udl n ASP 49 Cb 1.06 0.31 0.06 0.00 -0.72 0.00 0.00 41.12 41.83 1udl n ASP 49 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1udl s GLU 50 N -1.64 2.47 -0.23 -0.67 2.02 -1.25 -3.59 118.70 115.81 1udl s GLU 50 Ca 0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 54.97 54.82 1udl s GLU 50 Cb 0.00 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.01 1udl s GLU 50 CO 0.00 -1.08 0.12 -1.17 0.02 0.00 0.00 175.26 173.16 1udl s LEU 51 N -5.20 3.90 -0.34 1.80 0.20 -0.99 -4.58 118.68 113.47 1udl s LEU 51 Ca 0.58 0.03 -0.16 0.00 0.69 0.00 0.00 54.13 55.27 1udl s LEU 51 Cb -0.11 -2.04 -0.01 0.00 -0.43 0.00 0.00 46.19 43.60 1udl s LEU 51 CO 0.46 0.06 0.42 -0.94 -0.29 0.00 0.00 176.35 176.05 1udl s SER 52 N 1.09 6.24 0.24 3.68 1.04 -1.26 -3.93 113.70 120.79 1udl s SER 52 Ca 0.06 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 1udl s SER 52 Cb -0.14 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.73 1udl s SER 52 CO 0.04 -0.38 0.22 0.72 0.98 0.00 0.00 173.24 174.83 1udl s PHE 53 N 2.16 1.15 0.20 5.02 -0.12 0.25 -4.89 117.98 121.75 1udl s PHE 53 Ca 0.15 -1.34 0.10 0.00 -0.05 0.00 0.00 56.93 55.79 1udl s PHE 53 Cb -0.16 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 41.73 1udl s PHE 53 CO 0.12 -0.76 -0.16 -1.12 -0.05 0.00 0.00 175.22 173.26 1udl s SER 54 N -3.18 3.88 -0.11 1.98 0.01 -1.26 -0.09 113.70 114.94 1udl s SER 54 Ca 0.37 -0.75 -0.39 0.00 1.31 0.00 0.00 55.95 56.48 1udl s SER 54 Cb 0.05 -0.50 -0.17 0.00 0.21 0.00 0.00 66.02 65.60 1udl s SER 54 CO 0.15 0.09 1.46 1.17 0.41 0.00 0.00 173.24 176.52 1udl n LYS 55 N -0.03 0.87 -2.14 12.44 4.81 -1.26 -1.42 118.16 131.43 1udl n LYS 55 Ca -0.10 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 1udl n LYS 55 Cb 0.56 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.68 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 3.07 0.70 3.94 3.14 0.00 0.14 -4.91 105.19 111.28 1udl n GLY 56 Ca 0.23 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.30 2.71 -0.76 1.61 2.00 -0.51 -4.82 119.66 115.59 1udl s GLN 57 Ca 0.00 -0.31 -0.22 0.00 -2.00 0.00 0.00 55.36 52.84 1udl s GLN 57 Cb 0.00 -2.35 0.08 0.00 0.80 0.00 0.00 33.01 31.55 1udl s GLN 57 CO 0.00 -0.74 1.06 -1.17 -0.50 0.00 0.00 175.29 173.94 1udl s LEU 58 N -4.92 4.44 -0.10 3.68 2.96 -1.26 -4.13 118.68 119.36 1udl s LEU 58 Ca 0.55 -1.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1udl s LEU 58 Cb -0.10 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 1udl s LEU 58 CO 0.42 -1.36 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.25 1udl s ILE 59 N 3.84 2.32 -0.33 6.68 1.01 -1.24 -4.01 121.20 129.46 1udl s ILE 59 Ca 0.27 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.03 1udl s ILE 59 Cb -0.12 -1.90 0.09 0.00 0.01 0.00 0.00 42.46 40.54 1udl s ILE 59 CO 0.04 0.55 0.02 0.20 0.00 0.00 0.00 174.94 175.75 1udl s ASN 60 N 0.26 4.72 -0.18 3.58 0.01 -1.21 -1.24 114.94 120.88 1udl s ASN 60 Ca -0.15 -2.01 -0.30 0.00 -0.71 0.00 0.00 52.86 49.70 1udl s ASN 60 Cb -0.17 -1.62 -0.07 0.00 0.41 0.00 0.00 41.25 39.80 1udl s ASN 60 CO 0.07 -0.35 2.16 0.52 -1.51 0.00 0.00 177.10 177.99 1udl n VAL 61 N 4.29 0.42 -0.08 1.60 0.31 -0.12 -3.38 118.33 121.38 1udl n VAL 61 Ca 0.00 -0.36 -0.21 0.00 -0.01 0.00 0.00 64.34 63.76 1udl n VAL 61 Cb 0.42 -2.37 -0.12 0.00 -0.91 0.00 0.00 33.84 30.86 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 8.34 0.68 -3.67 5.55 2.81 0.82 0.19 117.12 131.84 1udl n MET 62 Ca 0.29 0.25 -0.29 0.00 -1.81 0.00 0.00 57.70 56.13 1udl n MET 62 Cb 0.40 -1.61 -0.15 0.00 -0.71 0.00 0.00 33.22 31.15 1udl n MET 62 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1udl s ASN 63 N -6.87 3.77 -0.52 7.83 3.84 -1.23 -4.23 114.94 117.54 1udl s ASN 63 Ca -0.30 -1.45 0.03 0.00 0.21 0.00 0.00 52.86 51.34 1udl s ASN 63 Cb 0.09 -0.66 0.43 0.00 -0.55 0.00 0.00 41.25 40.55 1udl s ASN 63 CO 0.65 -0.42 1.53 2.29 -2.79 0.00 0.00 177.10 178.36 1udl n LYS 64 N 5.00 3.19 -0.32 0.43 2.85 -1.26 -3.04 118.16 125.02 1udl n LYS 64 Ca -0.04 -3.91 0.04 0.00 -1.05 0.00 0.00 58.31 53.35 1udl n LYS 64 Cb 0.42 -2.27 0.23 0.00 -0.65 0.00 0.00 35.03 32.76 1udl n LYS 64 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1udl h ASP 65 N 2.36 0.92 -3.63 -5.58 3.58 -1.95 -3.39 116.42 108.74 1udl h ASP 65 Ca 0.45 0.01 -0.62 0.00 0.42 0.00 0.00 57.03 57.29 1udl h ASP 65 Cb 0.96 -0.19 -0.15 0.00 1.72 0.00 0.00 39.33 41.67 1udl h ASP 65 CO 1.11 0.58 -0.51 -1.81 -2.88 0.00 0.00 179.24 175.73 1udl s ASP 66 N -5.96 6.06 0.00 2.28 1.11 -1.26 -4.96 116.67 113.94 1udl s ASP 66 Ca -0.12 0.08 0.11 0.00 0.18 0.00 0.00 52.55 52.80 1udl s ASP 66 Cb 0.20 -2.10 0.65 0.00 1.07 0.00 0.00 42.92 42.75 1udl s ASP 66 CO 0.80 0.05 1.09 -0.81 1.18 0.00 0.00 175.17 177.48 1udl n PRO 67 N 4.41 0.49 -0.13 8.23 -0.04 -1.26 -2.92 135.00 143.77 1udl n PRO 67 Ca -0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.05 1udl n PRO 67 Cb 0.52 -1.35 -0.11 0.00 -0.04 0.00 0.00 33.50 32.52 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 -4.05 3.54 8.00 -1.26 -4.71 116.55 119.17 1udl n ASP 68 Ca 0.08 0.27 -0.20 0.00 0.71 0.00 0.00 54.79 55.65 1udl n ASP 68 Cb 0.04 -0.78 -0.15 0.00 -0.02 0.00 0.00 41.12 40.20 1udl n ASP 68 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1udl s TRP 69 N -2.49 1.00 0.35 1.24 0.52 -1.15 -1.22 118.94 117.19 1udl s TRP 69 Ca -0.36 -0.20 0.09 0.00 0.02 0.00 0.00 56.10 55.66 1udl s TRP 69 Cb 0.12 -0.65 -0.07 0.00 -1.15 0.00 0.00 33.47 31.72 1udl s TRP 69 CO 0.54 -0.03 -0.08 -1.58 0.02 0.00 0.00 176.95 175.82 1udl s TRP 70 N -0.21 2.43 -0.15 -1.98 0.51 0.66 -4.28 118.94 115.92 1udl s TRP 70 Ca 0.03 -0.51 0.01 0.00 -2.12 0.00 0.00 56.10 53.51 1udl s TRP 70 Cb -0.05 -1.44 0.02 0.00 -0.81 0.00 0.00 33.47 31.19 1udl s TRP 70 CO -0.00 0.56 -0.19 -1.14 -0.51 0.00 0.00 176.95 175.67 1udl s GLN 71 N -3.63 2.78 0.37 4.98 0.74 -1.17 -2.65 119.66 121.08 1udl s GLN 71 Ca 0.33 -0.75 0.04 0.00 0.05 0.00 0.00 55.36 55.02 1udl s GLN 71 Cb 0.03 -2.36 -0.03 0.00 1.10 0.00 0.00 33.01 31.75 1udl s GLN 71 CO 0.17 -0.13 0.12 0.20 -0.55 0.00 0.00 175.29 175.09 1udl s GLY 72 N 1.13 2.41 0.15 2.59 0.00 -1.26 -0.13 107.32 112.22 1udl s GLY 72 Ca -0.00 -1.48 0.09 0.00 0.00 0.00 0.00 44.72 43.32 1udl s GLY 72 CO -0.08 -1.79 -0.20 -1.83 0.00 0.00 0.00 173.10 169.21 1udl s GLU 73 N -3.77 1.27 -0.26 2.90 -1.05 -1.22 -3.46 118.70 113.12 1udl s GLU 73 Ca 0.28 -1.36 -0.02 0.00 -0.15 0.00 0.00 54.97 53.73 1udl s GLU 73 Cb 0.04 -1.43 0.13 0.00 -0.44 0.00 0.00 34.13 32.43 1udl s GLU 73 CO 0.15 0.30 0.32 0.42 0.95 0.00 0.00 175.26 177.40 1udl s ILE 74 N -1.75 -0.47 -1.11 1.83 1.01 1.00 -3.31 121.20 118.38 1udl s ILE 74 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1udl s ILE 74 Cb -0.07 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.53 1udl s ILE 74 CO 0.06 -0.29 0.95 0.59 0.00 0.00 0.00 174.94 176.25 1udl n ASN 75 N 5.33 -3.35 0.00 3.58 3.02 -1.26 -1.85 115.26 120.73 1udl n ASN 75 Ca -0.03 -0.53 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1udl n ASN 75 Cb 0.48 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 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 -1.36 0.57 3.83 7.41 0.00 -1.26 -5.01 105.19 109.37 1udl n GLY 76 Ca -0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.50 4.88 0.03 1.61 0.11 -0.77 -5.12 120.40 118.63 1udl s VAL 77 Ca 0.00 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.49 1udl s VAL 77 Cb 0.00 -3.36 -0.02 0.00 -1.53 0.00 0.00 36.38 31.47 1udl s VAL 77 CO 0.00 0.15 -0.09 0.42 -3.33 0.00 0.00 175.10 172.24 1udl s THR 78 N -1.42 0.71 0.00 5.04 -4.23 -1.26 -0.00 115.64 114.48 1udl s THR 78 Ca 0.31 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 1udl s THR 78 Cb -0.12 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.03 1udl s THR 78 CO 0.24 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.83 1udl n GLY 79 N 2.04 3.21 3.06 3.99 0.00 -1.22 -4.88 105.19 111.38 1udl n GLY 79 Ca -0.18 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 2.03 0.05 0.99 1.43 -1.24 -4.29 118.68 117.65 1udl s LEU 80 Ca 0.00 -0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 52.63 1udl s LEU 80 Cb 0.00 -0.59 0.07 0.00 0.03 0.00 0.00 46.19 45.70 1udl s LEU 80 CO 0.00 0.14 0.61 0.72 0.23 0.00 0.00 176.35 178.04 1udl s PHE 81 N -0.29 -0.55 0.48 0.29 -0.12 -1.09 -2.35 117.98 114.35 1udl s PHE 81 Ca 0.04 0.66 -0.22 0.00 -0.05 0.00 0.00 56.93 57.36 1udl s PHE 81 Cb -0.04 0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 42.72 1udl s PHE 81 CO -0.00 -0.71 1.16 -1.25 -0.05 0.00 0.00 175.22 174.37 1udl s PRO 82 N -2.46 3.66 0.00 1.99 0.04 -1.26 -0.24 135.00 136.73 1udl s PRO 82 Ca -0.05 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1udl s PRO 82 Cb -0.01 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1udl s PRO 82 CO -0.02 -0.62 0.86 -1.13 0.04 0.00 0.00 177.00 176.13 1udl n SER 83 N -0.67 0.14 -0.02 6.66 3.41 -0.36 -2.80 113.62 119.98 1udl n SER 83 Ca 0.08 -1.86 0.04 0.00 -0.26 0.00 0.00 58.87 56.88 1udl n SER 83 Cb 0.49 -0.07 -0.12 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.42 1.56 -0.30 4.04 3.02 -1.26 -4.34 115.26 117.56 1udl n ASN 84 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.65 1udl n ASN 84 Cb 0.04 1.49 0.44 0.00 -0.61 0.00 0.00 39.78 41.13 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 -2.14 0.12 -4.10 3.10 4.02 -1.12 -4.85 117.16 112.19 1udl n TYR 85 Ca -0.07 -0.06 -0.07 0.00 -0.01 0.00 0.00 57.90 57.68 1udl n TYR 85 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.88 0.27 -0.03 -0.72 -7.23 -1.26 -0.69 120.40 108.85 1udl s VAL 86 Ca 0.29 -1.82 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1udl s VAL 86 Cb 0.15 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.58 1udl s VAL 86 CO 0.23 -0.98 -0.04 -1.59 -0.31 0.00 0.00 175.10 172.41 1udl s LYS 87 N -3.89 0.69 -0.60 4.82 -2.85 -0.87 -4.87 119.74 112.16 1udl s LYS 87 Ca 0.07 -0.11 -0.26 0.00 -1.00 0.00 0.00 55.97 54.67 1udl s LYS 87 Cb 0.08 -0.71 -0.03 0.00 -2.06 0.00 0.00 37.83 35.10 1udl s LYS 87 CO -0.09 -0.04 1.99 -1.64 0.10 0.00 0.00 175.35 175.67 1udl s MET 88 N 0.68 2.49 0.29 1.78 -1.94 -1.26 -1.00 119.30 120.33 1udl s MET 88 Ca -0.09 0.73 0.03 0.00 -1.71 0.00 0.00 55.69 54.66 1udl s MET 88 Cb -0.12 -4.47 0.71 0.00 2.01 0.00 0.00 34.83 32.96 1udl s MET 88 CO -0.00 -2.91 1.69 1.79 -0.01 0.00 0.00 175.02 175.57 1udl h THR 89 N 7.09 0.46 -5.59 2.05 1.35 -1.69 -3.46 112.91 113.13 1udl h THR 89 Ca -0.23 -0.13 -0.40 0.00 -0.55 0.00 0.00 66.41 65.10 1udl h THR 89 Cb 1.17 0.06 0.12 0.00 -1.73 0.00 0.00 68.15 67.77 1udl h THR 89 CO 1.20 0.07 -0.67 0.41 -0.25 0.00 0.00 175.52 176.28 1udl n THR 90 N -5.07 -2.77 -2.20 6.82 -1.04 -1.26 -4.86 114.28 103.89 1udl n THR 90 Ca 0.21 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.91 1udl n THR 90 Cb 0.64 -3.86 -0.04 0.00 -1.82 0.00 0.00 70.33 65.25 1udl n THR 90 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1udl s ASP 91 N -3.20 5.52 -0.20 8.00 2.15 -1.26 -4.92 116.67 122.76 1udl s ASP 91 Ca 0.54 -1.64 -0.05 0.00 0.43 0.00 0.00 52.55 51.82 1udl s ASP 91 Cb -0.24 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 39.78 1udl s ASP 91 CO 0.66 -2.53 -0.01 -0.55 -0.17 0.00 0.00 175.17 172.58 1udl s SER 92 N 6.19 4.77 -0.12 -0.34 0.15 -1.26 -5.10 113.70 117.99 1udl s SER 92 Ca 0.64 -0.22 -0.03 0.00 0.70 0.00 0.00 55.95 57.04 1udl s SER 92 Cb -0.01 -1.81 -0.03 0.00 -1.71 0.00 0.00 66.02 62.46 1udl s SER 92 CO 0.08 0.06 -0.02 -0.55 1.20 0.00 0.00 173.24 174.01 1udl s SER 93 N 1.03 5.03 0.00 5.45 0.15 -1.26 -4.83 113.70 119.27 1udl s SER 93 Ca 0.02 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1udl s SER 93 Cb -0.14 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1udl s SER 93 CO 0.01 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1udl n GLY 94 N 2.91 -1.70 3.77 9.45 0.00 -1.26 -5.04 105.19 113.33 1udl n GLY 94 Ca -0.18 -0.24 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.44 3.26 -0.16 1.61 0.04 -1.26 -5.01 135.00 133.05 1udl s PRO 95 Ca 0.00 1.57 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1udl s PRO 95 Cb 0.00 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 1udl s PRO 95 CO 0.00 -0.92 -0.28 0.43 0.04 0.00 0.00 177.00 176.27 1udl n SER 96 N -1.50 1.69 -4.56 6.66 7.64 -1.26 -4.83 113.62 117.45 1udl n SER 96 Ca 0.11 0.28 -0.32 0.00 1.01 0.00 0.00 58.87 59.96 1udl n SER 96 Cb 0.51 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 63.02 1udl n SER 96 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1udl s SER 97 N -6.29 5.63 0.00 6.43 0.01 -1.26 -5.35 113.70 112.87 1udl s SER 97 Ca -0.26 -0.98 0.30 0.00 1.31 0.00 0.00 55.95 56.32 1udl s SER 97 Cb 0.06 -2.56 1.44 0.00 0.21 0.00 0.00 66.02 65.17 1udl s SER 97 CO 0.35 -2.30 1.97 0.61 0.41 0.00 0.00 173.24 174.28