#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 0.02 -0.32 1.61 3.41 -1.26 -4.83 113.62 112.25 1udl n SER 2 Ca 0.00 0.01 -0.01 0.00 -0.26 0.00 0.00 58.87 58.61 1udl n SER 2 Cb 0.00 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1udl n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1udl n SER 3 N -2.84 -0.55 0.00 4.04 2.88 -1.26 -4.87 113.62 111.02 1udl n SER 3 Ca 0.00 1.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.98 1udl n SER 3 Cb 0.31 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 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 -1.38 2.18 3.12 0.46 0.00 -1.26 -5.01 105.19 103.31 1udl n GLY 4 Ca 0.08 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 1udl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1udl s SER 5 N -0.51 5.15 -0.48 1.61 0.01 -1.26 -5.05 113.70 113.17 1udl s SER 5 Ca 0.00 -1.88 -0.27 0.00 1.31 0.00 0.00 55.95 55.11 1udl s SER 5 Cb 0.00 -1.79 -0.03 0.00 0.21 0.00 0.00 66.02 64.41 1udl s SER 5 CO 0.00 -0.47 1.93 -0.55 0.41 0.00 0.00 173.24 174.56 1udl s SER 6 N 1.63 5.37 0.00 2.44 0.15 -1.26 -4.60 113.70 117.44 1udl s SER 6 Ca 0.06 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1udl s SER 6 Cb -0.22 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1udl s SER 6 CO -0.04 -2.20 0.00 0.61 1.20 0.00 0.00 173.24 172.81 1udl n GLY 7 N 5.65 0.00 3.75 9.45 0.00 -1.26 -5.07 105.19 117.70 1udl n GLY 7 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.18 4.28 0.06 1.61 1.11 -1.26 -5.07 119.66 119.21 1udl s GLN 8 Ca 0.00 0.53 -0.06 0.00 0.01 0.00 0.00 55.36 55.85 1udl s GLN 8 Cb 0.00 -3.38 -0.01 0.00 -1.01 0.00 0.00 33.01 28.60 1udl s GLN 8 CO 0.00 0.28 0.10 0.21 0.01 0.00 0.00 175.29 175.90 1udl s LYS 9 N 0.18 0.71 0.00 2.91 2.47 -1.26 -5.10 119.74 119.65 1udl s LYS 9 Ca 0.27 -0.97 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 1udl s LYS 9 Cb -0.16 0.27 0.00 0.00 -1.46 0.00 0.00 37.83 36.48 1udl s LYS 9 CO 0.13 -0.19 0.00 0.41 0.16 0.00 0.00 175.35 175.86 1udl n GLY 10 N 0.23 -1.94 1.59 5.54 0.00 -1.26 -4.99 105.19 104.36 1udl n GLY 10 Ca -0.16 0.94 -0.15 0.00 0.00 0.00 0.00 46.02 46.65 1udl n GLY 10 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1udl n TRP 11 N 0.00 -2.89 -4.48 1.61 2.14 -1.26 -5.05 117.44 107.51 1udl n TRP 11 Ca 0.00 -0.40 -0.21 0.00 2.07 0.00 0.00 57.50 58.96 1udl n TRP 11 Cb 0.00 -0.63 -0.14 0.00 -0.81 0.00 0.00 31.31 29.73 1udl n TRP 11 CO 0.00 0.00 0.00 -0.59 2.07 0.00 0.00 177.69 179.17 1udl s PHE 12 N -1.54 1.17 0.91 -2.67 -0.71 -1.26 -5.15 117.98 108.72 1udl s PHE 12 Ca 0.33 -0.27 -0.12 0.00 -1.04 0.00 0.00 56.93 55.83 1udl s PHE 12 Cb -0.06 -0.73 0.13 0.00 -1.21 0.00 0.00 43.02 41.16 1udl s PHE 12 CO 0.28 0.00 1.09 -1.25 -1.34 0.00 0.00 175.22 174.00 1udl s PRO 13 N -0.64 1.18 -0.30 1.99 0.04 -1.26 -4.89 135.00 131.11 1udl s PRO 13 Ca 0.03 0.79 -0.27 0.00 0.04 0.00 0.00 61.00 61.59 1udl s PRO 13 Cb -0.06 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 1udl s PRO 13 CO 0.00 -2.29 2.27 0.00 0.04 0.00 0.00 177.00 177.02 1udl s ALA 14 N -2.94 2.41 0.12 8.56 0.00 -1.26 -4.95 121.76 123.70 1udl s ALA 14 Ca 0.64 0.55 -0.20 0.00 0.00 0.00 0.00 51.96 52.94 1udl s ALA 14 Cb -0.18 -4.15 -0.07 0.00 0.00 0.00 0.00 23.12 18.71 1udl s ALA 14 CO 0.57 -3.28 0.63 -1.54 0.00 0.00 0.00 175.76 172.13 1udl s SER 15 N 9.39 7.10 -0.24 0.00 1.04 -1.26 -5.01 113.70 124.71 1udl s SER 15 Ca 0.99 1.33 -0.29 0.00 0.48 0.00 0.00 55.95 58.47 1udl s SER 15 Cb -0.28 -2.39 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 1udl s SER 15 CO 0.32 0.21 1.61 -2.28 0.98 0.00 0.00 173.24 174.08 1udl s HIS 16 N -1.22 2.11 -0.25 5.02 2.46 -1.26 -4.98 115.29 117.18 1udl s HIS 16 Ca 0.33 0.57 -0.10 0.00 0.47 0.00 0.00 55.06 56.33 1udl s HIS 16 Cb -0.19 -4.00 -0.05 0.00 -0.13 0.00 0.00 32.58 28.21 1udl s HIS 16 CO 0.21 -2.85 0.14 0.54 -2.47 0.00 0.00 174.74 170.31 1udl s VAL 17 N 5.32 5.09 -0.17 0.89 0.11 -1.26 -4.98 120.40 125.41 1udl s VAL 17 Ca 0.71 0.09 -0.02 0.00 -2.93 0.00 0.00 61.98 59.84 1udl s VAL 17 Cb -0.24 -3.38 0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1udl s VAL 17 CO 0.29 0.33 2.30 0.29 -3.33 0.00 0.00 175.10 174.99 1udl n LYS 18 N 4.52 1.59 -4.08 1.54 5.02 -1.26 -4.85 118.16 120.64 1udl n LYS 18 Ca -0.15 -0.98 -0.35 0.00 -2.02 0.00 0.00 58.31 54.81 1udl n LYS 18 Cb 0.52 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 33.92 1udl n LYS 18 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1udl s LEU 19 N -0.94 3.26 0.39 -0.35 2.96 -1.26 -5.10 118.68 117.65 1udl s LEU 19 Ca 0.27 -0.20 0.06 0.00 -0.22 0.00 0.00 54.13 54.04 1udl s LEU 19 Cb 0.18 -1.83 -0.07 0.00 0.50 0.00 0.00 46.19 44.97 1udl s LEU 19 CO -0.03 0.07 0.02 -1.48 -1.32 0.00 0.00 176.35 173.62 1udl s LEU 20 N 0.97 2.66 0.00 -0.68 0.05 -1.26 -5.15 118.68 115.27 1udl s LEU 20 Ca 0.01 -1.39 0.00 0.00 0.05 0.00 0.00 54.13 52.81 1udl s LEU 20 Cb -0.14 -0.75 0.00 0.00 -2.05 0.00 0.00 46.19 43.25 1udl s LEU 20 CO 0.02 -0.51 0.00 0.61 -0.55 0.00 0.00 176.35 175.91 1udl n GLY 21 N -0.91 0.62 0.00 -3.48 0.00 -1.26 -4.98 105.19 95.18 1udl n GLY 21 Ca -0.05 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.47 1.61 -0.04 -1.26 -4.77 135.00 128.56 1udl n PRO 22 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 1udl n PRO 22 Cb 0.00 -1.33 -0.04 0.00 -0.04 0.00 0.00 33.50 32.09 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 7.19 0.88 3.54 0.01 -1.26 -4.99 113.70 117.23 1udl s SER 23 Ca 0.16 2.11 -0.15 0.00 1.31 0.00 0.00 55.95 59.37 1udl s SER 23 Cb 0.07 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1udl s SER 23 CO 0.12 -0.30 0.10 -1.20 0.41 0.00 0.00 173.24 172.36 1udl n SER 24 N 2.70 -2.96 -4.41 2.44 7.64 -1.26 -4.94 113.62 112.82 1udl n SER 24 Ca 0.04 0.38 -0.39 0.00 1.01 0.00 0.00 58.87 59.91 1udl n SER 24 Cb 0.46 -1.07 -0.12 0.00 -1.01 0.00 0.00 64.21 62.47 1udl n SER 24 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1udl s GLU 25 N -2.84 3.16 -0.05 1.43 2.12 -1.26 -5.08 118.70 116.18 1udl s GLU 25 Ca 0.55 -0.84 0.06 0.00 0.36 0.00 0.00 54.97 55.10 1udl s GLU 25 Cb -0.26 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 1udl s GLU 25 CO 0.69 -0.50 -0.24 1.03 -0.54 0.00 0.00 175.26 175.70 1udl s ARG 26 N 1.59 2.47 -0.22 4.30 0.52 -1.26 -5.02 118.95 121.33 1udl s ARG 26 Ca 0.04 -0.88 0.11 0.00 -0.52 0.00 0.00 55.73 54.47 1udl s ARG 26 Cb -0.18 -2.17 0.43 0.00 0.52 0.00 0.00 34.95 33.55 1udl s ARG 26 CO 0.06 0.44 1.25 0.00 0.02 0.00 0.00 175.30 177.07 1udl n ALA 27 N 2.79 3.81 -2.88 2.13 0.00 -1.26 -5.04 120.51 120.06 1udl n ALA 27 Ca -0.17 -3.31 -0.33 0.00 0.00 0.00 0.00 53.44 49.62 1udl n ALA 27 Cb 0.52 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 -3.30 5.30 -0.02 0.00 -4.23 -1.26 -5.04 115.64 107.10 1udl s THR 28 Ca 0.39 -0.20 -0.25 0.00 -1.18 0.00 0.00 61.69 60.45 1udl s THR 28 Cb 0.38 -3.47 -0.19 0.00 1.34 0.00 0.00 72.50 70.56 1udl s THR 28 CO -0.06 0.33 1.21 1.55 -0.54 0.00 0.00 174.62 177.12 1udl h PRO 29 N 3.88 -0.08 -5.12 3.99 0.13 -2.07 -3.46 132.00 129.27 1udl h PRO 29 Ca -0.49 0.01 -0.23 0.00 -0.87 0.00 0.00 66.00 64.41 1udl h PRO 29 Cb 1.19 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1udl h PRO 29 CO 0.68 0.38 -0.33 0.00 -0.23 0.00 0.00 178.00 178.49 1udl n ALA 30 N -2.39 -0.99 -2.64 -0.56 0.00 -1.26 -4.91 120.51 107.76 1udl n ALA 30 Ca -0.08 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1udl n ALA 30 Cb 0.25 -1.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.03 1udl n ALA 30 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1udl s PHE 31 N -2.55 2.72 -0.22 0.00 -0.12 -1.26 -5.12 117.98 111.43 1udl s PHE 31 Ca 0.21 -0.20 -0.02 0.00 -0.05 0.00 0.00 56.93 56.87 1udl s PHE 31 Cb -0.12 -1.25 0.07 0.00 -0.63 0.00 0.00 43.02 41.09 1udl s PHE 31 CO 0.26 0.58 0.04 -3.38 -0.05 0.00 0.00 175.22 172.67 1udl s HIS 32 N -2.10 1.24 1.10 3.49 -3.43 -1.26 -5.14 115.29 109.19 1udl s HIS 32 Ca 0.30 -1.10 -0.16 0.00 -0.80 0.00 0.00 55.06 53.30 1udl s HIS 32 Cb -0.07 -1.20 0.24 0.00 -1.43 0.00 0.00 32.58 30.12 1udl s HIS 32 CO 0.19 -0.68 1.10 -1.25 -2.00 0.00 0.00 174.74 172.10 1udl s PRO 33 N 1.78 -0.39 -0.15 -0.38 0.04 -1.26 -4.95 135.00 129.70 1udl s PRO 33 Ca 0.01 0.23 -0.06 0.00 0.04 0.00 0.00 61.00 61.22 1udl s PRO 33 Cb -0.17 -1.67 -0.24 0.00 0.04 0.00 0.00 34.50 32.46 1udl s PRO 33 CO -0.12 -3.22 0.25 0.28 0.04 0.00 0.00 177.00 174.23 1udl n VAL 34 N -4.47 1.72 -3.82 -0.36 0.31 0.10 -4.94 118.33 106.87 1udl n VAL 34 Ca 0.09 -0.61 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 1udl n VAL 34 Cb 0.58 -1.70 0.01 0.00 -0.91 0.00 0.00 33.84 31.83 1udl n VAL 34 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1udl s GLN 36 N -2.02 3.06 0.37 0.00 0.74 -1.26 -1.72 119.66 118.83 1udl s GLN 36 Ca 0.15 -0.84 0.08 0.00 0.05 0.00 0.00 55.36 54.81 1udl s GLN 36 Cb -0.01 -2.46 -0.07 0.00 1.10 0.00 0.00 33.01 31.57 1udl s GLN 36 CO 0.01 0.01 -0.03 0.14 -0.55 0.00 0.00 175.29 174.88 1udl s VAL 37 N 0.77 2.20 -0.01 1.34 -7.23 -0.00 -3.04 120.40 114.41 1udl s VAL 37 Ca -0.08 -2.07 0.07 0.00 -1.81 0.00 0.00 61.98 58.09 1udl s VAL 37 Cb -0.16 -2.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.95 1udl s VAL 37 CO -0.01 -0.11 -0.23 -0.51 -0.31 0.00 0.00 175.10 173.93 1udl s ILE 38 N -2.64 1.79 -0.04 -0.62 1.10 -0.82 -3.33 121.20 116.65 1udl s ILE 38 Ca 0.34 -0.99 -0.30 0.00 -0.51 0.00 0.00 60.65 59.20 1udl s ILE 38 Cb 0.05 -1.49 -0.05 0.00 0.15 0.00 0.00 42.46 41.12 1udl s ILE 38 CO 0.18 0.49 1.57 0.00 -2.11 0.00 0.00 174.94 175.06 1udl s ALA 39 N -0.55 3.63 0.17 1.50 0.00 -1.25 -0.37 121.76 124.88 1udl s ALA 39 Ca 0.09 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.95 1udl s ALA 39 Cb -0.09 -3.70 0.02 0.00 0.00 0.00 0.00 23.12 19.36 1udl s ALA 39 CO -0.01 -1.25 1.40 0.52 0.00 0.00 0.00 175.76 176.42 1udl h MET 40 N 8.94 0.35 -4.47 0.00 2.86 -1.13 -0.24 114.93 121.24 1udl h MET 40 Ca -0.38 -0.32 -0.22 0.00 -2.06 0.00 0.00 59.70 56.72 1udl h MET 40 Cb 1.17 0.08 -0.18 0.00 0.06 0.00 0.00 31.60 32.73 1udl h MET 40 CO 0.94 0.98 -0.71 0.71 1.06 0.00 0.00 176.91 179.90 1udl s TYR 41 N -3.46 0.67 -0.57 -0.22 2.02 -1.26 -4.83 117.35 109.70 1udl s TYR 41 Ca -0.05 -0.73 -0.26 0.00 -0.37 0.00 0.00 57.07 55.66 1udl s TYR 41 Cb 0.10 -0.41 -0.07 0.00 -0.40 0.00 0.00 41.96 41.18 1udl s TYR 41 CO 0.84 -0.16 2.27 0.16 -1.57 0.00 0.00 175.55 177.09 1udl s ASP 42 N -2.26 4.58 -0.11 2.29 1.47 -1.26 -3.90 116.67 117.47 1udl s ASP 42 Ca -0.01 0.70 -0.24 0.00 1.18 0.00 0.00 52.55 54.18 1udl s ASP 42 Cb -0.02 -2.52 -0.03 0.00 -0.34 0.00 0.00 42.92 40.02 1udl s ASP 42 CO -0.03 -2.90 0.77 -0.47 0.68 0.00 0.00 175.17 173.22 1udl s TYR 43 N 11.77 3.50 -0.39 2.11 6.14 -0.54 -4.85 117.35 135.09 1udl s TYR 43 Ca 0.89 1.26 0.01 0.00 0.64 0.00 0.00 57.07 59.87 1udl s TYR 43 Cb -0.15 -2.91 0.11 0.00 0.42 0.00 0.00 41.96 39.42 1udl s TYR 43 CO 0.21 -0.08 0.14 0.00 0.64 0.00 0.00 175.55 176.46 1udl s ALA 44 N 1.46 3.05 -0.07 3.97 0.00 -1.26 0.14 121.76 129.05 1udl s ALA 44 Ca 0.38 -2.61 -0.38 0.00 0.00 0.00 0.00 51.96 49.35 1udl s ALA 44 Cb -0.17 -2.18 -0.16 0.00 0.00 0.00 0.00 23.12 20.60 1udl s ALA 44 CO 0.16 -1.77 1.49 0.00 0.00 0.00 0.00 175.76 175.64 1udl n ALA 45 N 4.29 -0.79 0.45 0.00 0.00 -1.23 -4.80 120.51 118.42 1udl n ALA 45 Ca 0.02 0.47 0.08 0.00 0.00 0.00 0.00 53.44 54.01 1udl n ALA 45 Cb 0.41 -2.12 0.34 0.00 0.00 0.00 0.00 19.45 18.08 1udl n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1udl n ASN 46 N 3.61 0.15 -3.62 0.00 3.02 -1.26 -4.81 115.26 112.35 1udl n ASN 46 Ca 0.22 0.54 -0.07 0.00 -0.03 0.00 0.00 54.58 55.23 1udl n ASN 46 Cb 0.16 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.74 1udl n ASN 46 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1udl s ASN 47 N -3.27 -0.33 0.57 6.41 4.22 -1.26 -5.01 114.94 116.27 1udl s ASN 47 Ca 0.06 -0.22 0.29 0.00 -2.14 0.00 0.00 52.86 50.85 1udl s ASN 47 Cb 0.09 0.51 1.47 0.00 1.28 0.00 0.00 41.25 44.60 1udl s ASN 47 CO 0.28 -0.88 1.92 -0.33 -2.04 0.00 0.00 177.10 176.05 1udl h GLU 48 N 2.00 0.00 -0.78 3.55 3.07 -2.03 0.64 114.58 121.03 1udl h GLU 48 Ca -0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 1udl h GLU 48 Cb 1.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.12 1udl h GLU 48 CO 0.29 0.00 0.45 -0.44 -1.40 0.00 0.00 179.01 177.91 1udl h ASP 49 N 0.00 0.95 -3.60 1.42 3.32 -1.97 -3.44 116.42 113.11 1udl h ASP 49 Ca 0.26 -0.08 -0.46 0.00 0.02 0.00 0.00 57.03 56.78 1udl h ASP 49 Cb 1.24 -0.24 0.11 0.00 0.22 0.00 0.00 39.33 40.65 1udl h ASP 49 CO -0.00 0.76 0.28 -1.61 -1.72 0.00 0.00 179.24 176.94 1udl s GLU 50 N -5.92 1.63 -0.18 3.56 2.02 0.22 -3.86 118.70 116.16 1udl s GLU 50 Ca -0.13 -0.44 -0.06 0.00 0.02 0.00 0.00 54.97 54.37 1udl s GLU 50 Cb 0.15 -2.09 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 1udl s GLU 50 CO 0.80 -1.65 0.02 -1.17 0.02 0.00 0.00 175.26 173.28 1udl s LEU 51 N -5.44 3.46 -0.24 1.80 0.20 -0.93 -4.51 118.68 113.02 1udl s LEU 51 Ca 0.65 -0.09 -0.08 0.00 0.69 0.00 0.00 54.13 55.30 1udl s LEU 51 Cb -0.08 -1.87 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1udl s LEU 51 CO 0.47 0.12 0.10 -0.55 -0.29 0.00 0.00 176.35 176.21 1udl s SER 52 N 0.65 5.51 0.26 3.68 0.15 -1.26 -3.53 113.70 119.15 1udl s SER 52 Ca 0.01 -0.08 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 1udl s SER 52 Cb -0.14 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.16 1udl s SER 52 CO 0.02 0.01 0.31 0.72 1.20 0.00 0.00 173.24 175.50 1udl s PHE 53 N 1.37 1.03 -0.01 3.44 -0.12 0.12 -4.89 117.98 118.92 1udl s PHE 53 Ca 0.06 -1.24 0.08 0.00 -0.05 0.00 0.00 56.93 55.78 1udl s PHE 53 Cb -0.15 -0.30 -0.02 0.00 -0.63 0.00 0.00 43.02 41.92 1udl s PHE 53 CO 0.05 -0.86 -0.24 -1.12 -0.05 0.00 0.00 175.22 172.99 1udl s SER 54 N -3.17 3.24 -0.30 1.98 0.01 -1.26 -1.46 113.70 112.74 1udl s SER 54 Ca 0.33 -0.46 -0.32 0.00 1.31 0.00 0.00 55.95 56.82 1udl s SER 54 Cb 0.03 -0.41 -0.14 0.00 0.21 0.00 0.00 66.02 65.71 1udl s SER 54 CO 0.15 0.31 1.05 1.17 0.41 0.00 0.00 173.24 176.33 1udl n LYS 55 N 2.22 0.00 -1.26 12.44 4.81 -1.25 -1.12 118.16 134.00 1udl n LYS 55 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.28 1udl n LYS 55 Cb 0.51 -1.03 0.00 0.00 0.02 0.00 0.00 35.03 34.53 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 2.52 1.00 3.91 3.14 0.00 -0.10 -4.93 105.19 110.74 1udl n GLY 56 Ca 0.20 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.86 3.58 -0.61 1.61 2.00 -0.27 -4.86 119.66 118.25 1udl s GLN 57 Ca 0.00 0.01 -0.28 0.00 -2.00 0.00 0.00 55.36 53.09 1udl s GLN 57 Cb 0.00 -2.56 0.03 0.00 0.80 0.00 0.00 33.01 31.28 1udl s GLN 57 CO 0.00 0.07 1.26 -1.17 -0.50 0.00 0.00 175.29 174.95 1udl s LEU 58 N -4.09 3.37 -0.10 3.68 2.96 -1.26 -3.91 118.68 119.33 1udl s LEU 58 Ca 0.44 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1udl s LEU 58 Cb -0.10 -3.00 0.02 0.00 0.50 0.00 0.00 46.19 43.61 1udl s LEU 58 CO 0.35 -1.62 -0.11 -0.63 -1.32 0.00 0.00 176.35 173.03 1udl s ILE 59 N 5.39 1.15 -0.34 6.68 1.01 -1.21 -4.00 121.20 129.89 1udl s ILE 59 Ca 0.43 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1udl s ILE 59 Cb -0.08 -1.10 0.08 0.00 0.01 0.00 0.00 42.46 41.36 1udl s ILE 59 CO 0.23 0.38 0.07 0.21 0.00 0.00 0.00 174.94 175.82 1udl s ASN 60 N 1.23 4.98 0.18 3.58 3.04 -1.22 -0.82 114.94 125.90 1udl s ASN 60 Ca -0.04 -1.63 -0.32 0.00 0.04 0.00 0.00 52.86 50.92 1udl s ASN 60 Cb -0.14 -1.73 -0.11 0.00 -1.54 0.00 0.00 41.25 37.73 1udl s ASN 60 CO -0.03 -0.36 1.65 -0.69 -3.04 0.00 0.00 177.10 174.62 1udl s VAL 61 N 1.17 2.39 0.00 -5.21 1.01 -0.70 -3.25 120.40 115.81 1udl s VAL 61 Ca 0.01 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.24 1udl s VAL 61 Cb -0.21 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1udl s VAL 61 CO -0.03 0.02 0.00 0.23 0.00 0.00 0.00 175.10 175.32 1udl n MET 62 N 4.12 1.93 -3.72 2.72 0.00 0.69 0.00 117.12 122.85 1udl n MET 62 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.55 1udl n MET 62 Cb 0.37 -0.97 -0.14 0.00 0.00 0.00 0.00 33.22 32.49 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 -3.38 3.77 -0.42 7.83 3.84 -1.22 -4.43 114.94 120.92 1udl s ASN 63 Ca 0.00 -2.37 0.04 0.00 0.21 0.00 0.00 52.86 50.75 1udl s ASN 63 Cb 0.00 -1.00 0.47 0.00 -0.55 0.00 0.00 41.25 40.16 1udl s ASN 63 CO 0.00 -0.31 1.54 2.29 -2.79 0.00 0.00 177.10 177.83 1udl n LYS 64 N 3.89 3.01 -0.06 0.43 2.85 -1.26 -2.58 118.16 124.43 1udl n LYS 64 Ca 0.06 -3.70 0.25 0.00 -1.05 0.00 0.00 58.31 53.87 1udl n LYS 64 Cb 0.36 -2.21 0.70 0.00 -0.65 0.00 0.00 35.03 33.23 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 1.92 0.00 -3.30 -5.58 1.82 -1.93 -3.37 116.42 105.99 1udl h ASP 65 Ca 0.44 0.00 -0.66 0.00 -0.39 0.00 0.00 57.03 56.41 1udl h ASP 65 Cb 1.33 0.00 -0.29 0.00 0.68 0.00 0.00 39.33 41.04 1udl h ASP 65 CO 1.00 0.00 -0.79 -1.81 -1.61 0.00 0.00 179.24 176.03 1udl s ASP 66 N -5.02 3.77 0.00 2.28 1.11 -1.26 -4.99 116.67 112.56 1udl s ASP 66 Ca -0.04 -0.43 0.12 0.00 0.18 0.00 0.00 52.55 52.37 1udl s ASP 66 Cb 0.17 -1.58 0.69 0.00 1.07 0.00 0.00 42.92 43.28 1udl s ASP 66 CO 0.61 0.10 1.12 -0.81 1.18 0.00 0.00 175.17 177.38 1udl n PRO 67 N 3.93 0.49 -0.13 8.23 -0.04 -1.26 -2.78 135.00 143.44 1udl n PRO 67 Ca -0.19 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 1udl n PRO 67 Cb 0.52 -1.37 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 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 -0.87 1.98 -4.05 3.54 8.00 -1.26 -4.69 116.55 119.19 1udl n ASP 68 Ca 0.09 0.06 -0.21 0.00 0.71 0.00 0.00 54.79 55.44 1udl n ASP 68 Cb 0.04 -0.59 -0.15 0.00 -0.02 0.00 0.00 41.12 40.40 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 -2.51 1.03 0.31 1.24 0.52 -1.12 -0.46 118.94 117.95 1udl s TRP 69 Ca -0.36 -0.22 0.10 0.00 0.02 0.00 0.00 56.10 55.64 1udl s TRP 69 Cb 0.11 -0.69 -0.06 0.00 -1.15 0.00 0.00 33.47 31.69 1udl s TRP 69 CO 0.57 -0.05 -0.13 -1.58 0.02 0.00 0.00 176.95 175.78 1udl s TRP 70 N -0.13 2.29 -0.13 -1.98 0.51 0.46 -4.19 118.94 115.77 1udl s TRP 70 Ca 0.02 -0.46 0.03 0.00 -2.12 0.00 0.00 56.10 53.56 1udl s TRP 70 Cb -0.06 -1.19 0.01 0.00 -0.81 0.00 0.00 33.47 31.42 1udl s TRP 70 CO -0.00 0.59 -0.22 -1.14 -0.51 0.00 0.00 176.95 175.67 1udl s GLN 71 N -3.59 2.98 0.32 4.98 0.74 -1.07 -2.78 119.66 121.25 1udl s GLN 71 Ca 0.31 -0.84 0.04 0.00 0.05 0.00 0.00 55.36 54.92 1udl s GLN 71 Cb -0.00 -2.38 -0.03 0.00 1.10 0.00 0.00 33.01 31.70 1udl s GLN 71 CO 0.15 0.02 0.19 0.20 -0.55 0.00 0.00 175.29 175.30 1udl s GLY 72 N 0.73 2.19 0.03 2.59 0.00 -1.26 -0.23 107.32 111.37 1udl s GLY 72 Ca -0.09 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 42.94 1udl s GLY 72 CO 0.00 -1.58 -0.24 -1.83 0.00 0.00 0.00 173.10 169.45 1udl s GLU 73 N -3.71 1.74 -0.30 2.90 -1.05 -1.20 -3.57 118.70 113.51 1udl s GLU 73 Ca 0.36 -0.99 -0.02 0.00 -0.15 0.00 0.00 54.97 54.16 1udl s GLU 73 Cb 0.04 -1.84 0.10 0.00 -0.44 0.00 0.00 34.13 31.99 1udl s GLU 73 CO 0.20 0.48 0.11 0.42 0.95 0.00 0.00 175.26 177.42 1udl s ILE 74 N -0.73 0.52 -0.94 1.83 1.01 0.13 -3.39 121.20 119.63 1udl s ILE 74 Ca 0.10 -1.16 -0.00 0.00 0.00 0.00 0.00 60.65 59.58 1udl s ILE 74 Cb -0.09 -1.41 0.00 0.00 0.01 0.00 0.00 42.46 40.97 1udl s ILE 74 CO 0.01 -0.70 0.79 0.59 0.00 0.00 0.00 174.94 175.63 1udl n ASN 75 N 4.99 -2.27 0.00 3.58 3.02 -1.26 -2.23 115.26 121.09 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 -4.10 0.00 0.00 -0.61 0.00 0.00 39.78 35.49 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 -1.14 0.63 3.85 7.41 0.00 -1.26 -5.00 105.19 109.68 1udl n GLY 76 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.79 5.02 0.08 1.61 0.11 -0.95 -5.12 120.40 118.36 1udl s VAL 77 Ca 0.00 -0.49 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 1udl s VAL 77 Cb 0.00 -3.41 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 1udl s VAL 77 CO 0.00 0.19 -0.16 0.42 -3.33 0.00 0.00 175.10 172.21 1udl s THR 78 N -1.40 1.31 0.00 5.04 -4.23 -1.26 0.19 115.64 115.29 1udl s THR 78 Ca 0.30 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1udl s THR 78 Cb -0.13 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.50 1udl s THR 78 CO 0.23 -0.13 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1udl n GLY 79 N 1.32 2.63 3.02 3.99 0.00 -1.23 -4.85 105.19 110.06 1udl n GLY 79 Ca -0.20 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 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 1.96 0.05 0.99 1.43 -1.25 -4.33 118.68 117.53 1udl s LEU 80 Ca 0.00 -0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 52.70 1udl s LEU 80 Cb 0.00 -0.48 0.06 0.00 0.03 0.00 0.00 46.19 45.79 1udl s LEU 80 CO 0.00 0.10 0.54 0.72 0.23 0.00 0.00 176.35 177.94 1udl s PHE 81 N -0.11 -0.46 0.42 0.29 -0.12 -1.12 -2.18 117.98 114.71 1udl s PHE 81 Ca 0.02 0.53 -0.24 0.00 -0.05 0.00 0.00 56.93 57.18 1udl s PHE 81 Cb -0.05 0.37 -0.08 0.00 -0.63 0.00 0.00 43.02 42.63 1udl s PHE 81 CO -0.00 -0.66 1.18 -1.25 -0.05 0.00 0.00 175.22 174.44 1udl s PRO 82 N -2.43 3.94 0.00 1.99 0.04 -1.26 -0.40 135.00 136.88 1udl s PRO 82 Ca -0.05 1.84 0.06 0.00 0.04 0.00 0.00 61.00 62.89 1udl s PRO 82 Cb -0.01 -2.59 0.33 0.00 0.04 0.00 0.00 34.50 32.28 1udl s PRO 82 CO -0.01 -0.42 1.08 -1.13 0.04 0.00 0.00 177.00 176.56 1udl n SER 83 N -0.12 0.00 -0.00 6.66 3.41 0.39 -2.51 113.62 121.45 1udl n SER 83 Ca 0.05 -1.54 0.08 0.00 -0.26 0.00 0.00 58.87 57.21 1udl n SER 83 Cb 0.47 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 1udl n SER 83 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1udl n ASN 84 N -0.60 0.81 -1.11 4.04 6.94 -1.26 -4.24 115.26 119.84 1udl n ASN 84 Ca 0.04 -0.89 0.12 0.00 -0.02 0.00 0.00 54.58 53.83 1udl n ASN 84 Cb 0.02 1.02 0.24 0.00 -2.36 0.00 0.00 39.78 38.70 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1udl n TYR 85 N -1.42 0.53 -4.66 -2.53 4.02 -1.05 -4.90 117.16 107.16 1udl n TYR 85 Ca 0.03 -0.26 -0.22 0.00 -0.01 0.00 0.00 57.90 57.43 1udl n TYR 85 Cb 0.27 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.44 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 -1.47 1.12 -0.13 -0.72 -7.23 -1.26 -0.49 120.40 110.23 1udl s VAL 86 Ca 0.39 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.98 1udl s VAL 86 Cb 0.22 -0.94 0.01 0.00 0.56 0.00 0.00 36.38 36.23 1udl s VAL 86 CO 0.31 0.32 -0.22 -0.75 -0.31 0.00 0.00 175.10 174.45 1udl s LYS 87 N -0.32 3.02 -0.44 4.82 2.20 0.50 -4.89 119.74 124.64 1udl s LYS 87 Ca 0.05 -0.86 -0.43 0.00 -0.36 0.00 0.00 55.97 54.37 1udl s LYS 87 Cb -0.06 -2.39 -0.18 0.00 -1.51 0.00 0.00 37.83 33.70 1udl s LYS 87 CO -0.00 0.04 1.92 -1.33 -0.36 0.00 0.00 175.35 175.61 1udl n MET 88 N 3.92 0.38 -0.32 4.03 2.81 -1.26 -1.95 117.12 124.73 1udl n MET 88 Ca -0.20 0.12 0.11 0.00 -1.81 0.00 0.00 57.70 55.93 1udl n MET 88 Cb 0.52 -1.76 0.29 0.00 -0.71 0.00 0.00 33.22 31.56 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 6.10 0.63 -5.91 2.03 1.35 -1.85 -3.46 112.91 111.80 1udl h THR 89 Ca -0.29 -0.20 -0.42 0.00 -0.55 0.00 0.00 66.41 64.95 1udl h THR 89 Cb 1.37 -0.00 0.09 0.00 -1.73 0.00 0.00 68.15 67.88 1udl h THR 89 CO 1.02 0.11 -0.70 0.41 -0.25 0.00 0.00 175.52 176.11 1udl n THR 90 N -4.90 -2.68 -3.81 6.82 -1.04 -1.26 -4.99 114.28 102.42 1udl n THR 90 Ca 0.21 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.98 1udl n THR 90 Cb 0.56 -3.66 -0.02 0.00 -1.82 0.00 0.00 70.33 65.39 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 -3.28 6.33 -0.51 8.00 -1.08 -1.26 -5.04 116.67 119.82 1udl s ASP 91 Ca 0.60 0.22 -0.28 0.00 -0.52 0.00 0.00 52.55 52.57 1udl s ASP 91 Cb -0.27 -1.93 0.02 0.00 -1.46 0.00 0.00 42.92 39.28 1udl s ASP 91 CO 0.74 -0.08 1.28 -0.55 0.52 0.00 0.00 175.17 177.08 1udl s SER 92 N -3.66 6.39 0.05 -0.34 0.15 -1.26 -4.97 113.70 110.07 1udl s SER 92 Ca 0.36 0.39 -0.19 0.00 0.70 0.00 0.00 55.95 57.21 1udl s SER 92 Cb -0.10 -2.55 0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1udl s SER 92 CO 0.30 -1.47 0.44 -0.55 1.20 0.00 0.00 173.24 173.16 1udl s SER 93 N 3.39 -0.31 -0.33 5.45 0.15 -1.26 -5.13 113.70 115.65 1udl s SER 93 Ca 0.50 0.00 -0.08 0.00 0.70 0.00 0.00 55.95 57.07 1udl s SER 93 Cb -0.09 0.45 0.20 0.00 -1.71 0.00 0.00 66.02 64.86 1udl s SER 93 CO 0.29 -0.70 1.06 -0.83 1.20 0.00 0.00 173.24 174.26 1udl s GLY 94 N -2.09 -1.66 0.39 9.45 0.00 -1.26 -5.16 107.32 106.99 1udl s GLY 94 Ca -0.04 1.04 -0.26 0.00 0.00 0.00 0.00 44.72 45.46 1udl s GLY 94 CO -0.03 4.30 1.19 2.56 0.00 0.00 0.00 173.10 181.12 1udl s PRO 95 N 1.64 4.08 -0.37 2.90 0.04 -1.26 -4.98 135.00 137.06 1udl s PRO 95 Ca 0.17 1.90 0.08 0.00 0.04 0.00 0.00 61.00 63.19 1udl s PRO 95 Cb 0.06 -2.73 0.44 0.00 0.04 0.00 0.00 34.50 32.31 1udl s PRO 95 CO -0.13 -0.31 1.12 -1.13 0.04 0.00 0.00 177.00 176.59 1udl n SER 96 N 0.17 4.35 -4.29 6.66 3.41 -1.26 -5.02 113.62 117.63 1udl n SER 96 Ca 0.04 -3.56 -0.35 0.00 -0.26 0.00 0.00 58.87 54.74 1udl n SER 96 Cb 0.46 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 1udl n SER 96 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1udl s SER 97 N -3.54 4.17 0.00 4.04 1.04 -1.26 -5.40 113.70 112.75 1udl s SER 97 Ca 0.46 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1udl s SER 97 Cb 0.40 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.82 1udl s SER 97 CO -0.08 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.74