#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1udl s SER 2 N 0.00 0.98 -0.04 1.61 1.04 -1.26 -5.10 113.70 110.93 1udl s SER 2 Ca 0.00 -1.56 -0.29 0.00 0.48 0.00 0.00 55.95 54.58 1udl s SER 2 Cb 0.00 0.45 -0.08 0.00 0.10 0.00 0.00 66.02 66.49 1udl s SER 2 CO 0.00 -0.93 2.04 -0.44 0.98 0.00 0.00 173.24 174.89 1udl s SER 3 N -3.28 6.16 -0.13 7.02 0.01 -1.26 -4.88 113.70 117.34 1udl s SER 3 Ca 0.39 2.44 -0.18 0.00 1.31 0.00 0.00 55.95 59.91 1udl s SER 3 Cb 0.05 -2.52 -0.25 0.00 0.21 0.00 0.00 66.02 63.50 1udl s SER 3 CO 0.19 -1.32 0.48 1.23 0.41 0.00 0.00 173.24 174.23 1udl h GLY 4 N 11.91 0.19 -4.82 3.44 0.00 -2.03 -3.47 103.07 108.30 1udl h GLY 4 Ca -0.47 -0.48 -0.64 0.00 0.00 0.00 0.00 47.33 45.74 1udl h GLY 4 CO 0.95 0.42 -0.87 -0.45 0.00 0.00 0.00 176.54 176.59 1udl s SER 5 N -6.92 2.65 0.00 0.19 0.15 -1.26 -5.02 113.70 103.49 1udl s SER 5 Ca -0.22 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.01 1udl s SER 5 Cb 0.04 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1udl s SER 5 CO 0.72 0.26 0.00 -1.54 1.20 0.00 0.00 173.24 173.88 1udl n SER 6 N 2.64 0.73 -0.01 5.45 3.41 -1.26 -4.84 113.62 119.74 1udl n SER 6 Ca -0.16 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.33 1udl n SER 6 Cb 0.52 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 1udl n SER 6 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1udl h GLY 7 N 0.00 0.14 -5.66 5.00 0.00 -2.03 -3.41 103.07 97.12 1udl h GLY 7 Ca 0.00 -0.08 -0.59 0.00 0.00 0.00 0.00 47.33 46.66 1udl h GLY 7 CO 0.00 0.08 0.54 1.62 0.00 0.00 0.00 176.54 178.78 1udl s GLN 8 N -5.45 4.19 -0.37 4.80 0.74 -1.26 -4.94 119.66 117.36 1udl s GLN 8 Ca -0.14 1.02 0.06 0.00 0.05 0.00 0.00 55.36 56.34 1udl s GLN 8 Cb 0.06 -3.65 0.44 0.00 1.10 0.00 0.00 33.01 30.96 1udl s GLN 8 CO 0.69 -0.55 1.22 0.36 -0.55 0.00 0.00 175.29 176.46 1udl n LYS 9 N 6.08 3.49 0.08 1.67 0.00 -1.26 -4.86 118.16 123.36 1udl n LYS 9 Ca 0.07 -4.23 -0.13 0.00 -0.00 0.00 0.00 58.31 54.01 1udl n LYS 9 Cb 0.47 -2.27 -0.07 0.00 -0.00 0.00 0.00 35.03 33.17 1udl n LYS 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1udl h GLY 10 N 2.33 -0.76 -6.04 2.58 0.00 -1.98 -3.40 103.07 95.80 1udl h GLY 10 Ca 0.36 0.49 -0.62 0.00 0.00 0.00 0.00 47.33 47.56 1udl h GLY 10 CO 0.85 -0.25 -0.51 0.86 0.00 0.00 0.00 176.54 177.48 1udl s TRP 11 N -5.92 3.41 -0.02 5.60 -0.11 -1.26 -5.10 118.94 115.54 1udl s TRP 11 Ca -0.16 0.31 0.05 0.00 1.22 0.00 0.00 56.10 57.53 1udl s TRP 11 Cb 0.08 -2.07 -0.01 0.00 -1.50 0.00 0.00 33.47 29.97 1udl s TRP 11 CO 0.64 0.37 -0.18 -0.59 -4.62 0.00 0.00 176.95 172.57 1udl s PHE 12 N -0.02 1.68 1.17 5.86 -0.71 -1.26 -5.15 117.98 119.56 1udl s PHE 12 Ca 0.09 -0.37 -0.18 0.00 -1.04 0.00 0.00 56.93 55.43 1udl s PHE 12 Cb -0.12 -1.10 0.27 0.00 -1.21 0.00 0.00 43.02 40.87 1udl s PHE 12 CO 0.00 -0.07 1.11 -1.25 -1.34 0.00 0.00 175.22 173.66 1udl s PRO 13 N -0.29 -0.96 -0.24 1.99 0.04 -1.26 -4.82 135.00 129.45 1udl s PRO 13 Ca 0.04 0.03 0.15 0.00 0.04 0.00 0.00 61.00 61.26 1udl s PRO 13 Cb -0.08 -1.62 0.47 0.00 0.04 0.00 0.00 34.50 33.31 1udl s PRO 13 CO 0.00 -3.56 1.16 0.00 0.04 0.00 0.00 177.00 174.65 1udl n ALA 14 N -4.67 3.70 -3.02 8.56 0.00 -1.26 -5.05 120.51 118.77 1udl n ALA 14 Ca 0.12 -3.21 -0.34 0.00 0.00 0.00 0.00 53.44 50.01 1udl n ALA 14 Cb 0.59 -0.57 -0.13 0.00 0.00 0.00 0.00 19.45 19.34 1udl n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1udl s SER 15 N -3.47 4.69 -0.22 0.00 0.01 -1.26 -5.10 113.70 108.34 1udl s SER 15 Ca 0.39 -0.18 -0.09 0.00 1.31 0.00 0.00 55.95 57.39 1udl s SER 15 Cb 0.37 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 1udl s SER 15 CO -0.02 0.14 0.10 -2.28 0.41 0.00 0.00 173.24 171.59 1udl s HIS 16 N 0.51 3.23 -0.24 2.43 2.46 -1.26 -5.08 115.29 117.33 1udl s HIS 16 Ca -0.04 0.00 -0.06 0.00 0.47 0.00 0.00 55.06 55.44 1udl s HIS 16 Cb -0.14 -2.20 -0.02 0.00 -0.13 0.00 0.00 32.58 30.09 1udl s HIS 16 CO 0.03 -0.02 0.03 0.08 -2.47 0.00 0.00 174.74 172.39 1udl s VAL 17 N 0.99 3.93 -0.24 0.89 1.01 -1.26 -4.97 120.40 120.75 1udl s VAL 17 Ca 0.05 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1udl s VAL 17 Cb -0.14 -2.85 0.44 0.00 0.00 0.00 0.00 36.38 33.84 1udl s VAL 17 CO 0.03 0.33 1.27 2.29 0.00 0.00 0.00 175.10 179.02 1udl n LYS 18 N 4.87 1.94 -3.35 2.72 0.00 -1.26 -5.03 118.16 118.06 1udl n LYS 18 Ca -0.17 -3.42 -0.38 0.00 -0.00 0.00 0.00 58.31 54.34 1udl n LYS 18 Cb 0.51 -1.76 -0.06 0.00 -0.00 0.00 0.00 35.03 33.72 1udl n LYS 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1udl s LEU 19 N -3.30 4.38 -0.16 -5.58 2.01 -1.26 -5.07 118.68 109.69 1udl s LEU 19 Ca 0.41 0.96 -0.04 0.00 0.01 0.00 0.00 54.13 55.47 1udl s LEU 19 Cb 0.38 -2.72 -0.03 0.00 0.01 0.00 0.00 46.19 43.84 1udl s LEU 19 CO -0.04 0.14 -0.03 -1.48 1.01 0.00 0.00 176.35 175.94 1udl s LEU 20 N -0.17 3.26 0.00 1.79 0.05 -1.26 -4.96 118.68 117.38 1udl s LEU 20 Ca 0.26 -0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.31 1udl s LEU 20 Cb -0.16 -1.79 0.00 0.00 -2.05 0.00 0.00 46.19 42.19 1udl s LEU 20 CO 0.13 0.16 0.00 0.61 -0.55 0.00 0.00 176.35 176.70 1udl n GLY 21 N 3.60 -1.31 3.55 -3.48 0.00 -1.26 -4.88 105.19 101.42 1udl n GLY 21 Ca -0.17 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.44 1udl n GLY 21 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1udl s PRO 22 N 0.00 2.60 -1.02 1.61 0.04 -1.26 -4.92 135.00 132.05 1udl s PRO 22 Ca 0.00 0.17 -0.15 0.00 0.04 0.00 0.00 61.00 61.05 1udl s PRO 22 Cb 0.00 -4.72 0.17 0.00 0.04 0.00 0.00 34.50 29.99 1udl s PRO 22 CO 0.00 -3.04 1.17 0.45 0.04 0.00 0.00 177.00 175.62 1udl s SER 23 N 8.05 6.86 -0.51 6.66 0.15 -1.26 -4.91 113.70 128.74 1udl s SER 23 Ca 0.68 -2.60 0.03 0.00 0.70 0.00 0.00 55.95 54.77 1udl s SER 23 Cb -0.10 -2.35 0.15 0.00 -1.71 0.00 0.00 66.02 62.01 1udl s SER 23 CO 0.10 -0.81 0.32 -0.44 1.20 0.00 0.00 173.24 173.61 1udl s SER 24 N 2.93 3.57 -0.07 5.45 0.01 -1.26 -5.09 113.70 119.23 1udl s SER 24 Ca 0.33 -3.05 0.05 0.00 1.31 0.00 0.00 55.95 54.60 1udl s SER 24 Cb -0.05 -1.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.05 1udl s SER 24 CO -0.06 -0.20 -0.23 -0.70 0.41 0.00 0.00 173.24 172.46 1udl s GLU 25 N -0.21 2.73 0.52 12.44 2.56 -1.26 -5.11 118.70 130.38 1udl s GLU 25 Ca 0.22 -0.87 -0.21 0.00 0.00 0.00 0.00 54.97 54.11 1udl s GLU 25 Cb -0.14 -2.25 -0.05 0.00 2.00 0.00 0.00 34.13 33.69 1udl s GLU 25 CO -0.08 0.34 1.24 -0.98 -0.56 0.00 0.00 175.26 175.22 1udl s ARG 26 N -0.04 3.34 -0.27 4.30 1.70 -1.26 -4.81 118.95 121.90 1udl s ARG 26 Ca -0.07 1.95 -0.33 0.00 -0.47 0.00 0.00 55.73 56.81 1udl s ARG 26 Cb -0.15 -2.23 -0.15 0.00 -0.57 0.00 0.00 34.95 31.86 1udl s ARG 26 CO 0.05 -0.95 1.07 0.00 -1.08 0.00 0.00 175.30 174.39 1udl n ALA 27 N -0.97 -1.47 -1.77 7.88 0.00 -1.26 -4.84 120.51 118.09 1udl n ALA 27 Ca 0.10 0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 1udl n ALA 27 Cb 0.47 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 1udl n ALA 27 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1udl s THR 28 N 1.61 3.46 0.23 0.00 -4.23 -1.26 -4.94 115.64 110.51 1udl s THR 28 Ca 0.74 1.47 0.23 0.00 -1.18 0.00 0.00 61.69 62.95 1udl s THR 28 Cb -1.05 -3.93 0.21 0.00 1.34 0.00 0.00 72.50 69.07 1udl s THR 28 CO 0.55 0.35 1.86 1.55 -0.54 0.00 0.00 174.62 178.39 1udl h PRO 29 N 3.84 0.00 -5.37 3.99 0.13 -2.04 -3.42 132.00 129.12 1udl h PRO 29 Ca -0.47 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.04 1udl h PRO 29 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 1udl h PRO 29 CO 0.67 0.25 -0.53 0.00 -0.23 0.00 0.00 178.00 178.16 1udl s ALA 30 N -3.81 3.55 0.02 -0.56 0.00 -1.26 -5.10 121.76 114.60 1udl s ALA 30 Ca -0.01 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1udl s ALA 30 Cb 0.11 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 1udl s ALA 30 CO 0.64 0.26 -0.11 -0.59 0.00 0.00 0.00 175.76 175.96 1udl s PHE 31 N 0.10 0.94 -0.48 0.00 -0.71 -1.26 -5.11 117.98 111.45 1udl s PHE 31 Ca 0.07 -0.30 -0.00 0.00 -1.04 0.00 0.00 56.93 55.66 1udl s PHE 31 Cb -0.12 -0.57 0.13 0.00 -1.21 0.00 0.00 43.02 41.25 1udl s PHE 31 CO 0.00 -0.00 0.26 -3.38 -1.34 0.00 0.00 175.22 170.75 1udl s HIS 32 N -0.69 3.49 1.03 3.49 -3.43 -1.26 -5.10 115.29 112.82 1udl s HIS 32 Ca 0.00 -2.77 -0.17 0.00 -0.80 0.00 0.00 55.06 51.31 1udl s HIS 32 Cb -0.06 -3.08 0.26 0.00 -1.43 0.00 0.00 32.58 28.26 1udl s HIS 32 CO 0.00 -0.88 0.91 -0.35 -2.00 0.00 0.00 174.74 172.42 1udl n PRO 33 N 3.89 -2.81 -0.09 -0.38 -0.04 -1.26 -5.02 135.00 129.29 1udl n PRO 33 Ca 0.03 -1.46 -0.10 0.00 -0.04 0.00 0.00 63.50 61.94 1udl n PRO 33 Cb 0.38 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 1udl n PRO 33 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1udl n VAL 34 N -4.48 1.24 -3.72 0.52 3.14 0.23 -4.98 118.33 110.27 1udl n VAL 34 Ca 0.13 -0.72 -0.01 0.00 -2.96 0.00 0.00 64.34 60.78 1udl n VAL 34 Cb 0.49 -0.65 -0.01 0.00 -1.06 0.00 0.00 33.84 32.61 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 -2.80 2.34 0.29 0.00 0.74 -1.26 -0.42 119.66 118.54 1udl s GLN 36 Ca 0.14 -0.63 0.03 0.00 0.05 0.00 0.00 55.36 54.96 1udl s GLN 36 Cb 0.01 -1.85 -0.06 0.00 1.10 0.00 0.00 33.01 32.21 1udl s GLN 36 CO 0.00 0.07 0.05 0.14 -0.55 0.00 0.00 175.29 175.01 1udl s VAL 37 N 0.59 1.00 0.00 1.34 -7.23 -0.51 -2.23 120.40 113.36 1udl s VAL 37 Ca -0.15 -2.01 0.07 0.00 -1.81 0.00 0.00 61.98 58.08 1udl s VAL 37 Cb -0.17 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1udl s VAL 37 CO 0.05 -0.07 -0.21 -0.51 -0.31 0.00 0.00 175.10 174.05 1udl s ILE 38 N -3.44 1.70 0.19 -0.62 1.10 -1.07 -3.30 121.20 115.76 1udl s ILE 38 Ca 0.35 -1.00 -0.31 0.00 -0.51 0.00 0.00 60.65 59.18 1udl s ILE 38 Cb 0.08 -1.43 -0.10 0.00 0.15 0.00 0.00 42.46 41.16 1udl s ILE 38 CO 0.14 0.40 1.56 0.00 -2.11 0.00 0.00 174.94 174.93 1udl s ALA 39 N -0.58 3.76 -0.08 1.50 0.00 -1.25 -1.23 121.76 123.88 1udl s ALA 39 Ca 0.08 1.39 0.14 0.00 0.00 0.00 0.00 51.96 53.58 1udl s ALA 39 Cb -0.08 -3.62 -0.17 0.00 0.00 0.00 0.00 23.12 19.25 1udl s ALA 39 CO -0.00 -0.80 0.80 0.52 0.00 0.00 0.00 175.76 176.28 1udl h MET 40 N 6.29 0.00 -3.08 0.00 2.86 -1.76 -2.17 114.93 117.07 1udl h MET 40 Ca -0.44 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.04 1udl h MET 40 Cb 1.21 0.00 -0.26 0.00 0.06 0.00 0.00 31.60 32.61 1udl h MET 40 CO 0.88 0.42 -0.41 0.71 1.06 0.00 0.00 176.91 179.56 1udl s TYR 41 N -2.77 -0.30 -0.66 -0.22 2.02 -1.26 -4.90 117.35 109.26 1udl s TYR 41 Ca -0.03 0.72 -0.31 0.00 -0.37 0.00 0.00 57.07 57.08 1udl s TYR 41 Cb 0.08 0.10 -0.15 0.00 -0.40 0.00 0.00 41.96 41.59 1udl s TYR 41 CO 0.81 -0.15 2.46 -0.40 -1.57 0.00 0.00 175.55 176.70 1udl n ASP 42 N 3.09 1.36 -4.71 2.29 5.68 -1.26 -4.49 116.55 118.50 1udl n ASP 42 Ca -0.14 0.06 -0.38 0.00 -0.50 0.00 0.00 54.79 53.83 1udl n ASP 42 Cb 0.58 -1.20 -0.06 0.00 -1.14 0.00 0.00 41.12 39.30 1udl n ASP 42 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1udl s TYR 43 N 9.38 3.49 -0.32 2.11 6.14 0.15 -4.90 117.35 133.40 1udl s TYR 43 Ca 1.17 0.88 -0.02 0.00 0.64 0.00 0.00 57.07 59.75 1udl s TYR 43 Cb -0.86 -2.58 0.06 0.00 0.42 0.00 0.00 41.96 39.01 1udl s TYR 43 CO 0.43 0.12 0.03 0.00 0.64 0.00 0.00 175.55 176.78 1udl s ALA 44 N 0.79 2.87 -0.14 3.97 0.00 -1.26 -0.27 121.76 127.72 1udl s ALA 44 Ca 0.26 -1.92 -0.31 0.00 0.00 0.00 0.00 51.96 49.99 1udl s ALA 44 Cb -0.15 -2.01 -0.08 0.00 0.00 0.00 0.00 23.12 20.88 1udl s ALA 44 CO 0.10 -1.38 2.09 0.00 0.00 0.00 0.00 175.76 176.58 1udl n ALA 45 N 4.60 1.48 0.27 0.00 0.00 -1.24 -4.82 120.51 120.80 1udl n ALA 45 Ca -0.11 -0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.50 1udl n ALA 45 Cb 0.43 -2.73 0.92 0.00 0.00 0.00 0.00 19.45 18.06 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 12.44 0.00 -3.08 0.00 2.35 -1.92 -3.45 115.58 121.91 1udl h ASN 46 Ca -0.43 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.16 1udl h ASN 46 Cb 1.26 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.59 1udl h ASN 46 CO 0.96 0.00 -0.04 -0.46 -1.65 0.00 0.00 177.43 176.24 1udl n ASN 47 N -3.70 -1.08 0.02 5.81 2.04 -1.26 -5.02 115.26 112.08 1udl n ASN 47 Ca -0.01 -2.28 0.08 0.00 -0.44 0.00 0.00 54.58 51.93 1udl n ASN 47 Cb 0.18 1.95 0.36 0.00 -2.53 0.00 0.00 39.78 39.74 1udl n ASN 47 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1udl n GLU 48 N -0.40 0.04 0.09 -3.83 0.00 -1.26 -2.43 120.64 112.85 1udl n GLU 48 Ca -0.01 0.27 -0.07 0.00 0.00 0.00 0.00 57.16 57.35 1udl n GLU 48 Cb 0.41 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1udl n GLU 48 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1udl h ASP 49 N 0.00 0.19 -1.72 -1.84 5.19 -1.95 -3.46 116.42 112.83 1udl h ASP 49 Ca 0.00 -0.15 -0.45 0.00 -0.62 0.00 0.00 57.03 55.81 1udl h ASP 49 Cb 0.29 -0.06 0.04 0.00 0.18 0.00 0.00 39.33 39.78 1udl h ASP 49 CO 0.00 0.95 -0.08 -1.61 -3.12 0.00 0.00 179.24 175.38 1udl s GLU 50 N -3.20 2.37 -0.20 3.56 2.02 -1.02 -3.54 118.70 118.68 1udl s GLU 50 Ca -0.02 -1.19 -0.06 0.00 0.02 0.00 0.00 54.97 53.72 1udl s GLU 50 Cb 0.10 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 1udl s GLU 50 CO 0.82 -0.80 0.03 -1.17 0.02 0.00 0.00 175.26 174.16 1udl s LEU 51 N -4.71 3.43 -0.38 1.80 0.20 -1.09 -4.53 118.68 113.39 1udl s LEU 51 Ca 0.60 -0.12 -0.17 0.00 0.69 0.00 0.00 54.13 55.12 1udl s LEU 51 Cb -0.08 -1.88 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 1udl s LEU 51 CO 0.38 0.08 0.47 -0.94 -0.29 0.00 0.00 176.35 176.05 1udl s SER 52 N 0.90 6.24 0.21 3.68 1.04 -1.26 -3.65 113.70 120.86 1udl s SER 52 Ca 0.02 -0.34 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 1udl s SER 52 Cb -0.14 -2.24 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 1udl s SER 52 CO 0.02 -0.52 0.23 0.72 0.98 0.00 0.00 173.24 174.67 1udl s PHE 53 N 2.26 0.95 0.54 5.02 -0.71 0.62 -4.89 117.98 121.77 1udl s PHE 53 Ca 0.15 -1.20 0.05 0.00 -1.04 0.00 0.00 56.93 54.88 1udl s PHE 53 Cb -0.16 -0.36 0.03 0.00 -1.21 0.00 0.00 43.02 41.32 1udl s PHE 53 CO 0.14 -0.74 0.34 0.45 -1.34 0.00 0.00 175.22 174.07 1udl s SER 54 N -3.12 4.55 0.04 1.98 0.15 -1.26 -0.68 113.70 115.35 1udl s SER 54 Ca 0.35 -1.32 -0.30 0.00 0.70 0.00 0.00 55.95 55.38 1udl s SER 54 Cb 0.05 0.44 -0.07 0.00 -1.71 0.00 0.00 66.02 64.73 1udl s SER 54 CO 0.11 -1.07 1.54 -0.75 1.20 0.00 0.00 173.24 174.27 1udl s LYS 55 N -4.22 4.24 0.00 5.44 2.20 -1.26 -2.55 119.74 123.59 1udl s LYS 55 Ca 0.29 2.16 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1udl s LYS 55 Cb -0.02 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1udl s LYS 55 CO 0.18 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 1udl n GLY 56 N 3.83 0.71 3.85 5.54 0.00 -0.82 -4.95 105.19 113.35 1udl n GLY 56 Ca 0.15 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.25 3.93 -0.64 1.61 2.00 -1.06 -4.83 119.66 118.43 1udl s GLN 57 Ca 0.00 0.82 -0.27 0.00 -2.00 0.00 0.00 55.36 53.91 1udl s GLN 57 Cb 0.00 -2.23 0.02 0.00 0.80 0.00 0.00 33.01 31.60 1udl s GLN 57 CO 0.00 -0.16 1.37 -1.17 -0.50 0.00 0.00 175.29 174.83 1udl s LEU 58 N -3.86 3.30 -0.20 3.68 2.96 -1.26 -3.77 118.68 119.53 1udl s LEU 58 Ca 0.57 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1udl s LEU 58 Cb -0.10 -2.83 0.03 0.00 0.50 0.00 0.00 46.19 43.80 1udl s LEU 58 CO 0.29 -1.79 -0.16 -0.63 -1.32 0.00 0.00 176.35 172.74 1udl s ILE 59 N 6.06 1.98 -0.46 6.68 1.01 -1.21 -3.99 121.20 131.27 1udl s ILE 59 Ca 0.46 -1.11 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1udl s ILE 59 Cb -0.09 -1.92 0.11 0.00 0.01 0.00 0.00 42.46 40.57 1udl s ILE 59 CO 0.21 0.32 0.34 0.21 0.00 0.00 0.00 174.94 176.02 1udl s ASN 60 N 1.27 5.74 0.04 3.58 3.04 -1.17 -1.42 114.94 126.02 1udl s ASN 60 Ca 0.00 -1.78 -0.32 0.00 0.04 0.00 0.00 52.86 50.80 1udl s ASN 60 Cb -0.15 -2.03 -0.11 0.00 -1.54 0.00 0.00 41.25 37.42 1udl s ASN 60 CO -0.10 -0.67 1.84 0.52 -3.04 0.00 0.00 177.10 175.65 1udl n VAL 61 N 4.95 0.46 -0.07 -5.21 0.31 0.44 -3.08 118.33 116.13 1udl n VAL 61 Ca -0.09 -0.08 -0.10 0.00 -0.01 0.00 0.00 64.34 64.06 1udl n VAL 61 Cb 0.41 -1.99 -0.08 0.00 -0.91 0.00 0.00 33.84 31.28 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 6.01 0.80 -3.64 5.55 0.00 0.90 -0.60 117.12 126.15 1udl n MET 62 Ca 0.20 0.07 -0.27 0.00 0.00 0.00 0.00 57.70 57.69 1udl n MET 62 Cb 0.34 -1.32 -0.16 0.00 0.00 0.00 0.00 33.22 32.08 1udl n MET 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1udl s ASN 63 N -5.27 2.89 -0.38 7.83 3.84 -1.23 -4.24 114.94 118.38 1udl s ASN 63 Ca -0.17 -0.90 0.06 0.00 0.21 0.00 0.00 52.86 52.06 1udl s ASN 63 Cb 0.05 -0.41 0.52 0.00 -0.55 0.00 0.00 41.25 40.87 1udl s ASN 63 CO 0.40 -0.36 1.60 2.29 -2.79 0.00 0.00 177.10 178.24 1udl n LYS 64 N 5.18 2.28 -0.28 0.43 2.85 -1.26 -2.56 118.16 124.80 1udl n LYS 64 Ca -0.07 -3.31 0.21 0.00 -1.05 0.00 0.00 58.31 54.09 1udl n LYS 64 Cb 0.46 -2.02 0.52 0.00 -0.65 0.00 0.00 35.03 33.35 1udl n LYS 64 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1udl h ASP 65 N 1.31 0.40 -3.64 -5.58 3.32 -1.88 -3.37 116.42 106.98 1udl h ASP 65 Ca 0.38 0.06 -0.62 0.00 0.02 0.00 0.00 57.03 56.87 1udl h ASP 65 Cb 1.75 -0.01 -0.14 0.00 0.22 0.00 0.00 39.33 41.15 1udl h ASP 65 CO 0.76 0.12 -0.13 -0.62 -1.72 0.00 0.00 179.24 177.66 1udl s ASP 66 N -5.45 6.35 0.00 6.45 2.15 -1.25 -4.94 116.67 119.98 1udl s ASP 66 Ca -0.08 0.41 0.12 0.00 0.43 0.00 0.00 52.55 53.43 1udl s ASP 66 Cb 0.24 -2.24 0.72 0.00 -0.30 0.00 0.00 42.92 41.33 1udl s ASP 66 CO 0.79 -0.23 1.15 -0.81 -0.17 0.00 0.00 175.17 175.90 1udl n PRO 67 N 5.38 0.49 -0.02 4.34 -0.04 -1.26 -2.83 135.00 141.05 1udl n PRO 67 Ca -0.06 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1udl n PRO 67 Cb 0.50 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.88 3.75 -4.20 3.54 8.00 -1.26 -4.89 116.55 120.61 1udl n ASP 68 Ca 0.09 -0.02 -0.26 0.00 0.71 0.00 0.00 54.79 55.31 1udl n ASP 68 Cb 0.04 0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.04 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 -2.09 1.76 0.31 1.24 0.52 -1.13 -0.19 118.94 119.37 1udl s TRP 69 Ca -0.05 -0.34 0.07 0.00 0.02 0.00 0.00 56.10 55.80 1udl s TRP 69 Cb 0.01 -1.13 -0.06 0.00 -1.15 0.00 0.00 33.47 31.14 1udl s TRP 69 CO 0.11 -0.03 -0.05 -1.58 0.02 0.00 0.00 176.95 175.42 1udl s TRP 70 N -0.45 2.12 -0.09 -1.98 0.51 0.10 -3.84 118.94 115.31 1udl s TRP 70 Ca 0.07 -0.68 0.03 0.00 -2.12 0.00 0.00 56.10 53.40 1udl s TRP 70 Cb -0.08 -1.26 0.01 0.00 -0.81 0.00 0.00 33.47 31.33 1udl s TRP 70 CO -0.01 0.33 -0.17 -1.14 -0.51 0.00 0.00 176.95 175.46 1udl s GLN 71 N -3.72 2.34 0.30 4.98 0.74 -1.06 -2.14 119.66 121.11 1udl s GLN 71 Ca 0.32 -0.62 0.05 0.00 0.05 0.00 0.00 55.36 55.15 1udl s GLN 71 Cb 0.05 -1.88 -0.02 0.00 1.10 0.00 0.00 33.01 32.26 1udl s GLN 71 CO 0.14 0.05 0.17 0.41 -0.55 0.00 0.00 175.29 175.50 1udl n GLY 72 N 3.85 3.28 3.28 2.59 0.00 -1.26 -0.07 105.19 116.86 1udl n GLY 72 Ca -0.20 -1.97 -0.19 0.00 0.00 0.00 0.00 46.02 43.65 1udl n GLY 72 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1udl s GLU 73 N -3.18 1.12 -0.27 1.61 -1.05 -1.18 -3.62 118.70 112.14 1udl s GLU 73 Ca 0.24 -1.31 -0.00 0.00 -0.15 0.00 0.00 54.97 53.74 1udl s GLU 73 Cb 0.01 -1.07 0.15 0.00 -0.44 0.00 0.00 34.13 32.78 1udl s GLU 73 CO 0.17 0.21 0.39 0.42 0.95 0.00 0.00 175.26 177.40 1udl s ILE 74 N -2.12 -0.61 -1.38 1.83 1.01 0.48 -3.06 121.20 117.34 1udl s ILE 74 Ca 0.12 -0.19 -0.09 0.00 0.00 0.00 0.00 60.65 60.49 1udl s ILE 74 Cb -0.05 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.54 1udl s ILE 74 CO 0.04 -0.21 1.08 0.59 0.00 0.00 0.00 174.94 176.44 1udl n ASN 75 N 5.36 -5.16 -0.17 3.58 3.02 -1.26 -1.57 115.26 119.06 1udl n ASN 75 Ca -0.02 -0.63 -0.02 0.00 -0.03 0.00 0.00 54.58 53.88 1udl n ASN 75 Cb 0.50 -4.69 -0.01 0.00 -0.61 0.00 0.00 39.78 34.97 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 -1.80 0.49 3.19 7.41 0.00 -1.26 -5.03 105.19 108.18 1udl n GLY 76 Ca -0.04 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.08 2.25 -0.01 1.61 0.11 -0.61 -5.12 120.40 116.56 1udl s VAL 77 Ca 0.00 -0.91 0.05 0.00 -2.93 0.00 0.00 61.98 58.19 1udl s VAL 77 Cb 0.00 -1.92 -0.03 0.00 -1.53 0.00 0.00 36.38 32.90 1udl s VAL 77 CO 0.00 0.54 -0.15 0.42 -3.33 0.00 0.00 175.10 172.58 1udl s THR 78 N 0.87 3.03 0.00 5.04 -4.23 -1.26 -0.39 115.64 118.70 1udl s THR 78 Ca -0.05 -0.92 0.00 0.00 -1.18 0.00 0.00 61.69 59.54 1udl s THR 78 Cb -0.15 -2.24 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1udl s THR 78 CO -0.03 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.13 1udl n GLY 79 N 1.90 3.69 2.80 3.99 0.00 -1.24 -4.91 105.19 111.41 1udl n GLY 79 Ca -0.16 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.34 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 1.28 0.04 0.99 1.43 -1.23 -4.44 118.68 116.75 1udl s LEU 80 Ca 0.00 0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 1udl s LEU 80 Cb 0.00 -0.04 0.02 0.00 0.03 0.00 0.00 46.19 46.20 1udl s LEU 80 CO 0.00 -0.10 0.28 0.72 0.23 0.00 0.00 176.35 177.48 1udl s PHE 81 N 0.82 -0.07 0.41 0.29 -0.12 -0.91 -2.69 117.98 115.72 1udl s PHE 81 Ca -0.07 -0.07 -0.25 0.00 -0.05 0.00 0.00 56.93 56.49 1udl s PHE 81 Cb -0.10 0.06 -0.08 0.00 -0.63 0.00 0.00 43.02 42.27 1udl s PHE 81 CO -0.02 -0.47 1.18 -1.25 -0.05 0.00 0.00 175.22 174.61 1udl s PRO 82 N -2.45 3.98 0.00 1.99 0.04 -1.26 0.02 135.00 137.32 1udl s PRO 82 Ca -0.06 1.86 0.08 0.00 0.04 0.00 0.00 61.00 62.92 1udl s PRO 82 Cb -0.01 -2.62 0.49 0.00 0.04 0.00 0.00 34.50 32.39 1udl s PRO 82 CO -0.03 -0.39 1.15 -1.13 0.04 0.00 0.00 177.00 176.64 1udl n SER 83 N -0.05 0.00 -0.08 6.66 3.41 0.74 -2.43 113.62 121.87 1udl n SER 83 Ca 0.05 -1.36 0.09 0.00 -0.26 0.00 0.00 58.87 57.39 1udl n SER 83 Cb 0.46 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.66 1.08 -1.85 4.04 3.02 -1.26 -4.28 115.26 115.35 1udl n ASN 84 Ca 0.06 -1.04 -0.15 0.00 -0.03 0.00 0.00 54.58 53.42 1udl n ASN 84 Cb 0.03 0.91 0.21 0.00 -0.61 0.00 0.00 39.78 40.31 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 -1.20 2.35 -3.64 3.10 4.02 -1.02 -4.94 117.16 115.83 1udl n TYR 85 Ca 0.04 -1.65 -0.15 0.00 -0.01 0.00 0.00 57.90 56.13 1udl n TYR 85 Cb 0.32 -0.76 -0.08 0.00 -0.02 0.00 0.00 39.34 38.81 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 -3.22 0.02 -0.15 -0.72 -7.23 -1.26 -2.11 120.40 105.72 1udl s VAL 86 Ca 0.53 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.58 1udl s VAL 86 Cb 0.45 -0.82 0.02 0.00 0.56 0.00 0.00 36.38 36.59 1udl s VAL 86 CO 0.08 -0.07 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.93 1udl s LYS 87 N -0.68 2.15 -0.45 4.82 2.20 -0.36 -4.89 119.74 122.52 1udl s LYS 87 Ca -0.08 -0.54 -0.41 0.00 -0.36 0.00 0.00 55.97 54.58 1udl s LYS 87 Cb -0.03 -2.06 -0.18 0.00 -1.51 0.00 0.00 37.83 34.06 1udl s LYS 87 CO 0.05 -0.26 1.69 -1.33 -0.36 0.00 0.00 175.35 175.14 1udl n MET 88 N 4.79 0.00 -0.24 4.03 2.81 -1.26 -2.60 117.12 124.65 1udl n MET 88 Ca -0.16 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.67 1udl n MET 88 Cb 0.50 -1.36 0.04 0.00 -0.71 0.00 0.00 33.22 31.69 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 5.42 1.22 -4.05 2.03 1.35 -1.75 -3.47 112.91 113.66 1udl h THR 89 Ca -0.25 -0.58 -0.31 0.00 -0.55 0.00 0.00 66.41 64.72 1udl h THR 89 Cb 1.27 0.40 0.07 0.00 -1.73 0.00 0.00 68.15 68.15 1udl h THR 89 CO 0.94 0.25 -0.49 0.41 -0.25 0.00 0.00 175.52 176.38 1udl n THR 90 N -4.50 -1.88 -1.56 6.82 -1.04 -1.26 -4.85 114.28 106.01 1udl n THR 90 Ca 0.05 0.00 -0.59 0.00 -2.04 0.00 0.00 64.05 61.47 1udl n THR 90 Cb 0.11 -3.13 -0.09 0.00 -1.82 0.00 0.00 70.33 65.40 1udl n THR 90 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1udl n ASP 91 N -1.70 1.77 -4.75 8.00 5.75 -1.26 -4.87 116.55 119.48 1udl n ASP 91 Ca -0.04 0.87 -0.41 0.00 -0.01 0.00 0.00 54.79 55.20 1udl n ASP 91 Cb 0.57 -1.06 -0.04 0.00 -1.03 0.00 0.00 41.12 39.56 1udl n ASP 91 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1udl s SER 92 N 4.77 7.18 -0.93 -1.12 0.15 -1.26 -4.99 113.70 117.51 1udl s SER 92 Ca 1.07 2.29 -0.12 0.00 0.70 0.00 0.00 55.95 59.88 1udl s SER 92 Cb -1.20 -2.62 0.24 0.00 -1.71 0.00 0.00 66.02 60.73 1udl s SER 92 CO 0.65 -0.24 0.89 -0.55 1.20 0.00 0.00 173.24 175.19 1udl s SER 93 N -0.54 6.95 0.00 5.45 0.15 -1.26 -4.92 113.70 119.52 1udl s SER 93 Ca 0.47 -3.02 0.00 0.00 0.70 0.00 0.00 55.95 54.10 1udl s SER 93 Cb -0.33 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1udl s SER 93 CO 0.41 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1udl n GLY 94 N 3.51 3.48 3.77 9.45 0.00 -1.26 -5.10 105.19 119.04 1udl n GLY 94 Ca 0.17 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 -4.21 2.67 0.93 1.61 0.04 -1.26 -4.99 135.00 129.79 1udl s PRO 95 Ca 0.00 1.34 -0.12 0.00 0.04 0.00 0.00 61.00 62.26 1udl s PRO 95 Cb 0.00 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.66 1udl s PRO 95 CO 0.00 -1.35 0.59 -1.13 0.04 0.00 0.00 177.00 175.16 1udl n SER 96 N -2.68 -1.46 -4.63 6.66 3.41 -1.26 -4.85 113.62 108.81 1udl n SER 96 Ca 0.10 0.36 -0.43 0.00 -0.26 0.00 0.00 58.87 58.64 1udl n SER 96 Cb 0.52 -1.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.17 1udl n SER 96 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1udl s SER 97 N -2.14 6.41 0.00 4.04 0.01 -1.26 -5.28 113.70 115.48 1udl s SER 97 Ca 0.60 1.59 0.00 0.00 1.31 0.00 0.00 55.95 59.45 1udl s SER 97 Cb -0.22 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1udl s SER 97 CO 0.65 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.68