#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 0.19 -4.15 1.61 0.87 -2.11 -3.47 113.55 106.49 1udl h SER 2 Ca 0.00 -0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.27 1udl h SER 2 Cb 0.00 -0.05 0.09 0.00 -0.44 0.00 0.00 62.40 62.01 1udl h SER 2 CO 0.00 0.18 -0.45 -0.24 -0.53 0.00 0.00 176.83 175.79 1udl n SER 3 N -4.95 -4.22 -2.46 6.23 2.88 -1.26 -5.03 113.62 104.81 1udl n SER 3 Ca -0.04 -0.36 -0.06 0.00 -1.33 0.00 0.00 58.87 57.08 1udl n SER 3 Cb 0.05 -3.42 0.04 0.00 -0.75 0.00 0.00 64.21 60.13 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 -1.39 -0.72 3.32 0.46 0.00 -1.26 -5.03 105.19 100.57 1udl n GLY 4 Ca -0.04 -1.75 -0.45 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.05 6.08 -0.16 1.61 0.15 -1.26 -5.04 113.70 113.04 1udl s SER 5 Ca 0.16 -1.67 0.01 0.00 0.70 0.00 0.00 55.95 55.16 1udl s SER 5 Cb -0.01 -2.16 0.02 0.00 -1.71 0.00 0.00 66.02 62.16 1udl s SER 5 CO 0.11 -0.76 -0.19 -0.94 1.20 0.00 0.00 173.24 172.66 1udl s SER 6 N 3.12 2.96 0.00 5.45 1.04 -1.26 -4.98 113.70 120.03 1udl s SER 6 Ca 0.04 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.89 1udl s SER 6 Cb -0.28 -1.36 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1udl s SER 6 CO 0.03 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.87 1udl n GLY 7 N 4.47 -1.32 3.34 7.32 0.00 -1.26 -5.09 105.19 112.64 1udl n GLY 7 Ca -0.20 0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 1udl n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1udl s GLN 8 N 0.00 2.81 -0.81 1.61 2.00 -1.26 -5.03 119.66 118.98 1udl s GLN 8 Ca 0.00 -1.35 -0.23 0.00 -2.00 0.00 0.00 55.36 51.78 1udl s GLN 8 Cb 0.00 -3.95 0.07 0.00 0.80 0.00 0.00 33.01 29.93 1udl s GLN 8 CO 0.00 -0.95 1.19 0.15 -0.50 0.00 0.00 175.29 175.18 1udl s LYS 9 N 1.55 3.33 -0.30 1.67 1.02 -1.26 -4.78 119.74 120.97 1udl s LYS 9 Ca 0.03 -0.89 0.20 0.00 0.02 0.00 0.00 55.97 55.33 1udl s LYS 9 Cb -0.23 -4.59 0.48 0.00 -0.52 0.00 0.00 37.83 32.97 1udl s LYS 9 CO 0.05 -1.99 1.13 0.41 -0.92 0.00 0.00 175.35 174.03 1udl n GLY 10 N 5.72 1.70 3.63 -3.33 0.00 -1.26 -4.64 105.19 107.02 1udl n GLY 10 Ca 0.11 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.92 -1.06 -0.11 1.61 -0.11 -1.26 -5.06 118.94 110.02 1udl s TRP 11 Ca 0.25 2.03 0.03 0.00 1.22 0.00 0.00 56.10 59.63 1udl s TRP 11 Cb 0.38 0.63 0.00 0.00 -1.50 0.00 0.00 33.47 32.99 1udl s TRP 11 CO -0.03 -0.52 -0.23 -0.06 -4.62 0.00 0.00 176.95 171.49 1udl s PHE 12 N 1.92 2.59 1.12 5.86 0.08 -1.26 -5.13 117.98 123.16 1udl s PHE 12 Ca -0.09 -1.16 -0.16 0.00 0.12 0.00 0.00 56.93 55.64 1udl s PHE 12 Cb -0.06 -1.74 0.25 0.00 -0.57 0.00 0.00 43.02 40.89 1udl s PHE 12 CO -0.19 -0.49 1.10 -1.25 -0.10 0.00 0.00 175.22 174.29 1udl s PRO 13 N 0.53 -0.57 -0.06 0.24 0.04 -1.26 -4.89 135.00 129.03 1udl s PRO 13 Ca -0.14 0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.05 1udl s PRO 13 Cb -0.17 -1.65 -0.00 0.00 0.04 0.00 0.00 34.50 32.72 1udl s PRO 13 CO 0.05 -3.33 2.25 0.00 0.04 0.00 0.00 177.00 176.01 1udl n ALA 14 N -4.53 4.56 -3.02 8.56 0.00 -1.26 -4.83 120.51 119.99 1udl n ALA 14 Ca 0.10 -0.58 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 1udl n ALA 14 Cb 0.59 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.63 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 1.68 4.24 -0.12 0.00 0.01 -1.26 -5.07 113.70 113.18 1udl s SER 15 Ca 0.15 -0.26 -0.29 0.00 1.31 0.00 0.00 55.95 56.86 1udl s SER 15 Cb 0.09 -1.63 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 1udl s SER 15 CO -0.01 0.18 1.73 -2.28 0.41 0.00 0.00 173.24 173.27 1udl s HIS 16 N 0.30 1.85 -0.01 2.43 2.46 -1.26 -4.99 115.29 116.07 1udl s HIS 16 Ca -0.08 0.27 0.02 0.00 0.47 0.00 0.00 55.06 55.75 1udl s HIS 16 Cb -0.15 -3.98 -0.03 0.00 -0.13 0.00 0.00 32.58 28.28 1udl s HIS 16 CO 0.05 -3.75 -0.05 0.08 -2.47 0.00 0.00 174.74 168.59 1udl s VAL 17 N 4.95 3.76 0.21 0.89 1.01 -1.26 -5.02 120.40 124.94 1udl s VAL 17 Ca 0.77 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1udl s VAL 17 Cb -0.31 -2.63 -0.10 0.00 0.00 0.00 0.00 36.38 33.35 1udl s VAL 17 CO 0.31 0.42 1.48 0.11 0.00 0.00 0.00 175.10 177.43 1udl h LYS 18 N 4.61 0.06 -6.75 2.72 1.57 -2.08 -3.45 116.57 113.25 1udl h LYS 18 Ca -0.49 -0.06 -0.67 0.00 -1.87 0.00 0.00 60.65 57.56 1udl h LYS 18 Cb 1.17 0.01 -0.20 0.00 0.08 0.00 0.00 32.23 33.30 1udl h LYS 18 CO 0.54 0.79 -0.83 -0.48 -0.57 0.00 0.00 179.45 178.90 1udl s LEU 19 N -7.39 2.48 0.25 2.94 -0.00 -1.26 -5.14 118.68 110.56 1udl s LEU 19 Ca -0.01 -0.73 -0.12 0.00 -0.00 0.00 0.00 54.13 53.26 1udl s LEU 19 Cb 0.11 -1.31 -0.00 0.00 -0.00 0.00 0.00 46.19 44.99 1udl s LEU 19 CO 0.79 0.16 0.48 -1.48 -0.00 0.00 0.00 176.35 176.30 1udl s LEU 20 N -2.30 0.35 0.00 1.48 0.05 -1.26 -5.18 118.68 111.82 1udl s LEU 20 Ca 0.17 -0.96 0.00 0.00 0.05 0.00 0.00 54.13 53.40 1udl s LEU 20 Cb -0.09 1.76 0.00 0.00 -2.05 0.00 0.00 46.19 45.81 1udl s LEU 20 CO 0.09 -1.15 0.00 0.61 -0.55 0.00 0.00 176.35 175.34 1udl n GLY 21 N -0.39 3.73 3.72 -3.48 0.00 -1.26 -5.16 105.19 102.36 1udl n GLY 21 Ca -0.02 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.17 1.37 0.13 1.61 0.04 -1.26 -5.08 135.00 129.64 1udl s PRO 22 Ca 0.00 0.86 0.06 0.00 0.04 0.00 0.00 61.00 61.96 1udl s PRO 22 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 1udl s PRO 22 CO 0.00 -2.17 -0.15 -1.12 0.04 0.00 0.00 177.00 173.60 1udl s SER 23 N -3.42 2.10 0.37 6.66 0.01 -1.26 -5.11 113.70 113.04 1udl s SER 23 Ca 0.63 -0.81 -0.25 0.00 1.31 0.00 0.00 55.95 56.84 1udl s SER 23 Cb -0.18 -0.08 -0.13 0.00 0.21 0.00 0.00 66.02 65.84 1udl s SER 23 CO 0.57 -0.12 0.74 -0.24 0.41 0.00 0.00 173.24 174.60 1udl n SER 24 N 0.55 -0.01 -4.05 2.44 2.88 -1.26 -4.96 113.62 109.21 1udl n SER 24 Ca -0.15 1.02 -0.32 0.00 -1.33 0.00 0.00 58.87 58.09 1udl n SER 24 Cb 0.57 -1.18 -0.15 0.00 -0.75 0.00 0.00 64.21 62.69 1udl n SER 24 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1udl s GLU 25 N -1.59 2.04 -0.00 -1.46 -6.30 -1.26 -4.88 118.70 105.24 1udl s GLU 25 Ca 0.62 -1.43 -0.16 0.00 -2.50 0.00 0.00 54.97 51.50 1udl s GLU 25 Cb -0.65 -2.93 -0.06 0.00 0.00 0.00 0.00 34.13 30.49 1udl s GLU 25 CO 0.58 -0.65 0.44 0.50 0.02 0.00 0.00 175.26 176.15 1udl s ARG 26 N 1.08 4.00 0.39 4.30 3.52 -1.26 -5.06 118.95 125.92 1udl s ARG 26 Ca -0.05 0.46 -0.26 0.00 -0.13 0.00 0.00 55.73 55.76 1udl s ARG 26 Cb -0.20 -3.24 -0.09 0.00 -1.56 0.00 0.00 34.95 29.86 1udl s ARG 26 CO -0.06 0.63 1.19 0.00 -0.81 0.00 0.00 175.30 176.26 1udl s ALA 27 N -0.92 3.20 0.04 6.12 0.00 -1.26 -5.04 121.76 123.90 1udl s ALA 27 Ca 0.25 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.28 1udl s ALA 27 Cb -0.17 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1udl s ALA 27 CO 0.14 -0.57 -0.12 0.95 0.00 0.00 0.00 175.76 176.16 1udl s THR 28 N -1.36 3.21 0.31 0.00 -4.23 -1.26 -5.03 115.64 107.28 1udl s THR 28 Ca 0.56 -1.07 0.13 0.00 -1.18 0.00 0.00 61.69 60.13 1udl s THR 28 Cb -0.32 -2.41 0.06 0.00 1.34 0.00 0.00 72.50 71.17 1udl s THR 28 CO 0.41 0.30 1.75 1.55 -0.54 0.00 0.00 174.62 178.09 1udl h PRO 29 N 4.31 0.00 -1.81 3.99 0.13 -2.08 -3.44 132.00 133.09 1udl h PRO 29 Ca -0.48 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 1udl h PRO 29 Cb 1.16 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.06 1udl h PRO 29 CO 0.51 0.45 0.20 0.00 -0.23 0.00 0.00 178.00 178.93 1udl s ALA 30 N -3.90 -1.99 -0.01 -0.56 0.00 -1.26 -5.17 121.76 108.87 1udl s ALA 30 Ca -0.02 2.23 0.08 0.00 0.00 0.00 0.00 51.96 54.25 1udl s ALA 30 Cb 0.13 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1udl s ALA 30 CO 0.73 -0.35 -0.24 -0.59 0.00 0.00 0.00 175.76 175.31 1udl s PHE 31 N 1.18 2.39 -0.34 0.00 -0.71 -1.26 -5.10 117.98 114.13 1udl s PHE 31 Ca -0.06 -0.39 0.01 0.00 -1.04 0.00 0.00 56.93 55.44 1udl s PHE 31 Cb -0.05 -1.49 0.11 0.00 -1.21 0.00 0.00 43.02 40.38 1udl s PHE 31 CO -0.14 0.04 0.12 -3.38 -1.34 0.00 0.00 175.22 170.52 1udl s HIS 32 N -0.69 2.15 0.81 3.49 -3.43 -1.26 -5.13 115.29 111.25 1udl s HIS 32 Ca 0.11 -2.12 -0.11 0.00 -0.80 0.00 0.00 55.06 52.14 1udl s HIS 32 Cb -0.10 -1.98 0.08 0.00 -1.43 0.00 0.00 32.58 29.15 1udl s HIS 32 CO 0.00 -0.87 1.09 -1.25 -2.00 0.00 0.00 174.74 171.71 1udl s PRO 33 N 1.22 1.92 0.12 -0.38 0.04 -1.26 -4.98 135.00 131.67 1udl s PRO 33 Ca 0.12 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.21 1udl s PRO 33 Cb -0.19 -1.87 -0.17 0.00 0.04 0.00 0.00 34.50 32.32 1udl s PRO 33 CO -0.17 -1.85 1.26 -0.39 0.04 0.00 0.00 177.00 175.90 1udl h VAL 34 N -1.27 1.56 -2.50 -0.36 -1.51 -0.87 -3.48 116.25 107.80 1udl h VAL 34 Ca -0.46 -3.00 0.15 0.00 -1.23 0.00 0.00 66.70 62.16 1udl h VAL 34 Cb 1.25 2.75 -0.05 0.00 -2.13 0.00 0.00 31.29 33.10 1udl h VAL 34 CO 0.52 0.87 0.50 0.00 -1.23 0.00 0.00 177.57 178.23 1udl s GLN 36 N -2.72 2.68 0.47 0.00 0.74 -1.26 -1.67 119.66 117.89 1udl s GLN 36 Ca 0.17 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 54.88 1udl s GLN 36 Cb -0.02 -2.25 -0.02 0.00 1.10 0.00 0.00 33.01 31.81 1udl s GLN 36 CO 0.05 -0.10 0.04 0.14 -0.55 0.00 0.00 175.29 174.87 1udl s VAL 37 N 1.05 1.10 0.07 1.34 -7.23 -0.67 -2.75 120.40 113.31 1udl s VAL 37 Ca -0.03 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 1udl s VAL 37 Cb -0.14 -2.30 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1udl s VAL 37 CO -0.05 0.00 -0.11 -0.51 -0.31 0.00 0.00 175.10 174.12 1udl s ILE 38 N -2.96 0.90 0.03 -0.62 2.07 -0.66 -3.34 121.20 116.63 1udl s ILE 38 Ca 0.14 -1.37 -0.30 0.00 -1.41 0.00 0.00 60.65 57.70 1udl s ILE 38 Cb 0.03 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.51 1udl s ILE 38 CO 0.08 -0.39 1.20 0.00 -1.91 0.00 0.00 174.94 173.91 1udl s ALA 39 N -1.73 3.41 -0.02 1.50 0.00 -1.24 -0.62 121.76 123.05 1udl s ALA 39 Ca -0.01 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.79 1udl s ALA 39 Cb -0.07 -3.46 -0.24 0.00 0.00 0.00 0.00 23.12 19.34 1udl s ALA 39 CO 0.01 -0.51 0.77 0.52 0.00 0.00 0.00 175.76 176.55 1udl h MET 40 N 6.97 0.10 -4.66 0.00 0.00 -1.36 -0.29 114.93 115.69 1udl h MET 40 Ca -0.40 -0.17 -0.26 0.00 0.00 0.00 0.00 59.70 58.87 1udl h MET 40 Cb 1.20 0.06 -0.18 0.00 0.00 0.00 0.00 31.60 32.68 1udl h MET 40 CO 0.83 0.82 -0.72 0.71 0.00 0.00 0.00 176.91 178.55 1udl s TYR 41 N -2.61 0.82 -0.54 -0.22 2.02 -1.26 -4.82 117.35 110.73 1udl s TYR 41 Ca -0.07 -0.68 -0.26 0.00 -0.37 0.00 0.00 57.07 55.68 1udl s TYR 41 Cb 0.08 -0.47 -0.05 0.00 -0.40 0.00 0.00 41.96 41.11 1udl s TYR 41 CO 0.82 -0.10 2.18 0.16 -1.57 0.00 0.00 175.55 177.05 1udl s ASP 42 N -2.27 4.78 -0.09 2.29 -4.77 -1.26 -3.80 116.67 111.54 1udl s ASP 42 Ca 0.01 0.76 -0.21 0.00 -3.30 0.00 0.00 52.55 49.81 1udl s ASP 42 Cb -0.03 -2.51 -0.04 0.00 -1.09 0.00 0.00 42.92 39.25 1udl s ASP 42 CO -0.02 -2.68 0.61 -0.47 0.70 0.00 0.00 175.17 173.31 1udl s TYR 43 N 10.93 3.55 -0.32 2.11 6.14 0.46 -4.89 117.35 135.33 1udl s TYR 43 Ca 0.85 1.10 0.02 0.00 0.64 0.00 0.00 57.07 59.68 1udl s TYR 43 Cb -0.15 -2.70 0.08 0.00 0.42 0.00 0.00 41.96 39.61 1udl s TYR 43 CO 0.24 0.11 0.01 0.00 0.64 0.00 0.00 175.55 176.55 1udl s ALA 44 N 0.75 2.81 -0.22 3.97 0.00 -1.26 -0.30 121.76 127.51 1udl s ALA 44 Ca 0.33 -2.21 -0.28 0.00 0.00 0.00 0.00 51.96 49.79 1udl s ALA 44 Cb -0.17 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1udl s ALA 44 CO 0.15 -1.50 2.00 0.00 0.00 0.00 0.00 175.76 176.41 1udl s ALA 45 N 1.03 2.92 0.58 0.00 0.00 -1.24 -4.83 121.76 120.22 1udl s ALA 45 Ca 0.03 0.65 0.28 0.00 0.00 0.00 0.00 51.96 52.92 1udl s ALA 45 Cb -0.20 -4.01 1.54 0.00 0.00 0.00 0.00 23.12 20.45 1udl s ALA 45 CO -0.06 -2.52 1.99 -2.95 0.00 0.00 0.00 175.76 172.22 1udl h ASN 46 N 13.46 0.00 -3.62 0.00 7.08 -1.93 -3.44 115.58 127.13 1udl h ASN 46 Ca -0.39 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 52.61 1udl h ASN 46 Cb 1.21 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 37.40 1udl h ASN 46 CO 0.98 0.00 -0.06 -0.46 -2.08 0.00 0.00 177.43 175.81 1udl n ASN 47 N -3.81 -1.41 -0.06 6.14 0.23 -1.26 -5.04 115.26 110.05 1udl n ASN 47 Ca 0.06 -2.69 0.02 0.00 -0.53 0.00 0.00 54.58 51.43 1udl n ASN 47 Cb 0.53 2.55 0.34 0.00 -2.08 0.00 0.00 39.78 41.12 1udl n ASN 47 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1udl h GLU 48 N 0.00 0.67 -0.89 -3.83 5.08 -2.02 -2.39 114.58 111.20 1udl h GLU 48 Ca -0.26 -0.06 0.18 0.00 -1.00 0.00 0.00 59.36 58.21 1udl h GLU 48 Cb 1.10 -0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.11 1udl h GLU 48 CO 0.35 0.49 0.46 0.22 -1.00 0.00 0.00 179.01 179.53 1udl h ASP 49 N 0.68 0.52 -2.91 1.42 3.58 -1.96 -3.42 116.42 114.33 1udl h ASP 49 Ca 0.18 0.11 -0.45 0.00 0.42 0.00 0.00 57.03 57.28 1udl h ASP 49 Cb 0.02 0.03 0.04 0.00 1.72 0.00 0.00 39.33 41.14 1udl h ASP 49 CO -0.03 0.17 0.00 -1.61 -2.88 0.00 0.00 179.24 174.89 1udl s GLU 50 N -5.92 2.77 -0.21 0.28 2.02 -0.90 -3.12 118.70 113.62 1udl s GLU 50 Ca -0.12 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.31 1udl s GLU 50 Cb 0.23 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.98 1udl s GLU 50 CO 0.78 -0.59 0.07 -1.17 0.02 0.00 0.00 175.26 174.36 1udl s LEU 51 N -4.77 3.64 -0.35 1.80 0.20 -0.90 -4.50 118.68 113.80 1udl s LEU 51 Ca 0.54 -0.05 -0.16 0.00 0.69 0.00 0.00 54.13 55.15 1udl s LEU 51 Cb -0.10 -1.94 -0.01 0.00 -0.43 0.00 0.00 46.19 43.71 1udl s LEU 51 CO 0.40 0.08 0.41 -0.94 -0.29 0.00 0.00 176.35 176.01 1udl s SER 52 N 0.92 6.21 0.18 3.68 1.04 -1.26 -3.71 113.70 120.76 1udl s SER 52 Ca 0.04 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 1udl s SER 52 Cb -0.14 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 1udl s SER 52 CO 0.03 -0.40 0.19 0.72 0.98 0.00 0.00 173.24 174.75 1udl s PHE 53 N 2.12 0.81 0.10 5.02 -0.71 0.59 -4.89 117.98 121.02 1udl s PHE 53 Ca 0.13 -1.12 0.10 0.00 -1.04 0.00 0.00 56.93 55.00 1udl s PHE 53 Cb -0.16 -0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 1udl s PHE 53 CO 0.12 -0.67 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.99 1udl s SER 54 N -3.07 3.54 -0.41 1.98 0.01 -1.26 -0.40 113.70 114.09 1udl s SER 54 Ca 0.28 -0.62 -0.43 0.00 1.31 0.00 0.00 55.95 56.49 1udl s SER 54 Cb 0.05 -0.38 -0.19 0.00 0.21 0.00 0.00 66.02 65.71 1udl s SER 54 CO 0.06 0.20 1.43 1.17 0.41 0.00 0.00 173.24 176.51 1udl n LYS 55 N 1.10 0.00 -0.89 12.44 4.81 -1.25 -1.30 118.16 133.07 1udl n LYS 55 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1udl n LYS 55 Cb 0.53 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.18 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 3.43 1.26 3.91 3.14 0.00 -0.12 -4.95 105.19 111.86 1udl n GLY 56 Ca 0.28 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.33 3.60 -0.62 1.61 2.00 -0.42 -4.85 119.66 118.65 1udl s GLN 57 Ca 0.00 0.06 -0.27 0.00 -2.00 0.00 0.00 55.36 53.15 1udl s GLN 57 Cb 0.00 -2.54 0.03 0.00 0.80 0.00 0.00 33.01 31.31 1udl s GLN 57 CO 0.00 0.05 1.16 -1.17 -0.50 0.00 0.00 175.29 174.83 1udl s LEU 58 N -4.06 3.55 -0.08 3.68 2.96 -1.26 -3.71 118.68 119.75 1udl s LEU 58 Ca 0.45 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1udl s LEU 58 Cb -0.10 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.69 1udl s LEU 58 CO 0.35 -1.53 -0.20 -0.63 -1.32 0.00 0.00 176.35 173.02 1udl s ILE 59 N 4.93 1.73 -0.33 6.68 1.01 -1.21 -3.89 121.20 130.12 1udl s ILE 59 Ca 0.37 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.22 1udl s ILE 59 Cb -0.09 -1.50 0.09 0.00 0.01 0.00 0.00 42.46 40.97 1udl s ILE 59 CO 0.21 0.49 0.03 0.20 0.00 0.00 0.00 174.94 175.86 1udl s ASN 60 N 0.33 4.68 0.12 3.58 -0.87 -1.20 -1.66 114.94 119.92 1udl s ASN 60 Ca -0.14 -2.01 -0.32 0.00 -1.57 0.00 0.00 52.86 48.82 1udl s ASN 60 Cb -0.16 -1.57 -0.11 0.00 -0.02 0.00 0.00 41.25 39.38 1udl s ASN 60 CO 0.06 -0.35 1.80 0.52 -2.57 0.00 0.00 177.10 176.56 1udl n VAL 61 N 4.31 0.31 -0.07 1.60 0.31 -0.67 -3.27 118.33 120.84 1udl n VAL 61 Ca 0.01 -0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.19 1udl n VAL 61 Cb 0.42 -2.02 -0.08 0.00 -0.91 0.00 0.00 33.84 31.24 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 5.31 1.02 -3.58 5.55 0.00 0.91 -0.35 117.12 125.98 1udl n MET 62 Ca 0.18 0.05 -0.27 0.00 0.00 0.00 0.00 57.70 57.67 1udl n MET 62 Cb 0.35 -1.32 -0.16 0.00 0.00 0.00 0.00 33.22 32.09 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 -5.16 2.74 -0.37 7.83 3.84 -1.25 -4.26 114.94 118.31 1udl s ASN 63 Ca -0.16 -0.84 0.06 0.00 0.21 0.00 0.00 52.86 52.14 1udl s ASN 63 Cb 0.05 -0.27 0.53 0.00 -0.55 0.00 0.00 41.25 41.01 1udl s ASN 63 CO 0.43 -0.38 1.59 2.29 -2.79 0.00 0.00 177.10 178.24 1udl n LYS 64 N 5.27 2.20 -0.30 0.43 2.85 -1.26 -3.19 118.16 124.16 1udl n LYS 64 Ca -0.07 -3.28 0.11 0.00 -1.05 0.00 0.00 58.31 54.02 1udl n LYS 64 Cb 0.47 -1.99 0.28 0.00 -0.65 0.00 0.00 35.03 33.13 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 1.25 0.34 -3.72 -5.58 5.19 -1.95 -3.37 116.42 108.58 1udl h ASP 65 Ca 0.37 0.14 -0.63 0.00 -0.62 0.00 0.00 57.03 56.29 1udl h ASP 65 Cb 1.78 0.11 -0.16 0.00 0.18 0.00 0.00 39.33 41.25 1udl h ASP 65 CO 0.71 0.04 -0.52 -1.81 -3.12 0.00 0.00 179.24 174.54 1udl s ASP 66 N -5.23 5.99 0.00 6.45 1.11 -1.26 -4.95 116.67 118.77 1udl s ASP 66 Ca -0.12 0.03 0.11 0.00 0.18 0.00 0.00 52.55 52.75 1udl s ASP 66 Cb 0.24 -2.10 0.64 0.00 1.07 0.00 0.00 42.92 42.77 1udl s ASP 66 CO 0.78 0.01 1.07 -0.81 1.18 0.00 0.00 175.17 177.40 1udl n PRO 67 N 4.66 0.49 -0.12 8.23 -0.04 -1.26 -2.87 135.00 144.09 1udl n PRO 67 Ca -0.15 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 1udl n PRO 67 Cb 0.52 -1.34 -0.11 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 -0.84 1.96 -4.09 3.54 8.00 -1.26 -4.72 116.55 119.14 1udl n ASP 68 Ca 0.08 0.24 -0.18 0.00 0.71 0.00 0.00 54.79 55.64 1udl n ASP 68 Cb 0.04 -0.77 -0.13 0.00 -0.02 0.00 0.00 41.12 40.23 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 0.24 1.24 0.52 -1.14 -1.52 118.94 116.79 1udl s TRP 69 Ca -0.34 -0.31 0.09 0.00 0.02 0.00 0.00 56.10 55.55 1udl s TRP 69 Cb 0.11 -0.60 -0.05 0.00 -1.15 0.00 0.00 33.47 31.77 1udl s TRP 69 CO 0.56 0.00 -0.14 -1.58 0.02 0.00 0.00 176.95 175.82 1udl s TRP 70 N -0.73 1.92 -0.12 -1.98 0.51 0.58 -4.31 118.94 114.80 1udl s TRP 70 Ca 0.00 -0.54 0.02 0.00 -2.12 0.00 0.00 56.10 53.46 1udl s TRP 70 Cb -0.07 -0.93 -0.00 0.00 -0.81 0.00 0.00 33.47 31.66 1udl s TRP 70 CO 0.01 0.43 -0.20 -1.14 -0.51 0.00 0.00 176.95 175.54 1udl s GLN 71 N -3.63 3.15 0.26 4.98 0.74 -1.19 -2.70 119.66 121.26 1udl s GLN 71 Ca 0.26 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.87 1udl s GLN 71 Cb -0.01 -2.45 -0.03 0.00 1.10 0.00 0.00 33.01 31.62 1udl s GLN 71 CO 0.10 0.12 0.22 0.20 -0.55 0.00 0.00 175.29 175.39 1udl s GLY 72 N 0.51 1.72 0.01 2.59 0.00 -1.26 -0.06 107.32 110.83 1udl s GLY 72 Ca -0.13 -1.78 0.08 0.00 0.00 0.00 0.00 44.72 42.89 1udl s GLY 72 CO 0.05 -1.36 -0.25 -1.83 0.00 0.00 0.00 173.10 169.71 1udl s GLU 73 N -3.83 2.00 -0.27 2.90 -1.05 -1.20 -3.51 118.70 113.74 1udl s GLU 73 Ca 0.38 -1.00 -0.02 0.00 -0.15 0.00 0.00 54.97 54.18 1udl s GLU 73 Cb 0.04 -2.04 0.09 0.00 -0.44 0.00 0.00 34.13 31.78 1udl s GLU 73 CO 0.18 0.54 0.09 0.42 0.95 0.00 0.00 175.26 177.44 1udl s ILE 74 N -0.72 0.47 -0.95 1.83 1.01 0.13 -3.20 121.20 119.77 1udl s ILE 74 Ca 0.11 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.83 1udl s ILE 74 Cb -0.10 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 1udl s ILE 74 CO 0.01 -0.54 0.79 0.59 0.00 0.00 0.00 174.94 175.79 1udl n ASN 75 N 5.03 -2.25 0.00 3.58 3.02 -1.26 -2.19 115.26 121.19 1udl n ASN 75 Ca -0.05 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 1udl n ASN 75 Cb 0.44 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 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 -1.11 0.41 3.78 7.41 0.00 -1.26 -4.99 105.19 109.42 1udl n GLY 76 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.06 4.55 0.06 1.61 0.11 -0.93 -5.12 120.40 118.61 1udl s VAL 77 Ca 0.00 -0.74 0.06 0.00 -2.93 0.00 0.00 61.98 58.37 1udl s VAL 77 Cb 0.00 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.64 1udl s VAL 77 CO 0.00 0.14 -0.17 0.42 -3.33 0.00 0.00 175.10 172.17 1udl s THR 78 N -1.37 1.32 0.00 5.04 -4.23 -1.26 0.23 115.64 115.37 1udl s THR 78 Ca 0.29 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1udl s THR 78 Cb -0.12 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1udl s THR 78 CO 0.21 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1udl n GLY 79 N 1.51 2.67 3.02 3.99 0.00 -1.23 -4.88 105.19 110.27 1udl n GLY 79 Ca -0.19 -0.61 -0.20 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 1.84 0.04 0.99 1.43 -1.18 -4.29 118.68 117.51 1udl s LEU 80 Ca 0.00 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 1udl s LEU 80 Cb 0.00 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.69 1udl s LEU 80 CO 0.00 0.08 0.44 0.72 0.23 0.00 0.00 176.35 177.82 1udl s PHE 81 N 0.11 -0.31 0.46 0.29 -0.12 -1.10 -2.13 117.98 115.19 1udl s PHE 81 Ca -0.02 0.30 -0.23 0.00 -0.05 0.00 0.00 56.93 56.93 1udl s PHE 81 Cb -0.08 0.25 -0.07 0.00 -0.63 0.00 0.00 43.02 42.48 1udl s PHE 81 CO 0.00 -0.58 1.16 -1.25 -0.05 0.00 0.00 175.22 174.50 1udl s PRO 82 N -2.41 3.74 0.00 1.99 0.04 -1.26 -0.31 135.00 136.78 1udl s PRO 82 Ca -0.06 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1udl s PRO 82 Cb -0.01 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1udl s PRO 82 CO -0.02 -0.57 0.94 -1.13 0.04 0.00 0.00 177.00 176.26 1udl n SER 83 N -0.54 0.00 -0.06 6.66 3.41 -0.58 -2.64 113.62 119.89 1udl n SER 83 Ca 0.08 -1.85 0.07 0.00 -0.26 0.00 0.00 58.87 56.90 1udl n SER 83 Cb 0.48 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.50 0.80 -1.27 4.04 6.94 -1.26 -4.33 115.26 119.68 1udl n ASN 84 Ca 0.00 -0.90 0.12 0.00 -0.02 0.00 0.00 54.58 53.78 1udl n ASN 84 Cb 0.00 0.91 0.28 0.00 -2.36 0.00 0.00 39.78 38.61 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 -1.13 0.76 -4.19 -2.53 4.02 -1.08 -4.93 117.16 108.08 1udl n TYR 85 Ca 0.03 -0.38 -0.17 0.00 -0.01 0.00 0.00 57.90 57.37 1udl n TYR 85 Cb 0.23 0.00 -0.11 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 -1.24 1.09 -0.06 -0.72 -7.23 -1.26 -0.89 120.40 110.10 1udl s VAL 86 Ca 0.44 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 59.10 1udl s VAL 86 Cb 0.24 -1.28 0.02 0.00 0.56 0.00 0.00 36.38 35.93 1udl s VAL 86 CO 0.33 -0.40 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.90 1udl s LYS 87 N -2.35 1.10 -0.29 4.82 2.36 0.21 -4.89 119.74 120.69 1udl s LYS 87 Ca 0.03 -0.18 -0.36 0.00 -2.55 0.00 0.00 55.97 52.91 1udl s LYS 87 Cb -0.06 -1.06 -0.12 0.00 -1.05 0.00 0.00 37.83 35.54 1udl s LYS 87 CO 0.02 -0.08 2.05 -1.33 1.55 0.00 0.00 175.35 177.56 1udl n MET 88 N 4.13 1.27 -0.23 4.03 2.81 -1.26 -1.66 117.12 126.21 1udl n MET 88 Ca -0.22 0.40 -0.04 0.00 -1.81 0.00 0.00 57.70 56.03 1udl n MET 88 Cb 0.51 -2.42 0.07 0.00 -0.71 0.00 0.00 33.22 30.67 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 6.47 1.08 -4.38 2.03 1.35 -1.82 -3.47 112.91 114.16 1udl h THR 89 Ca -0.34 -0.28 -0.29 0.00 -0.55 0.00 0.00 66.41 64.95 1udl h THR 89 Cb 1.31 0.20 0.10 0.00 -1.73 0.00 0.00 68.15 68.03 1udl h THR 89 CO 1.00 0.15 -0.49 0.41 -0.25 0.00 0.00 175.52 176.34 1udl n THR 90 N -4.70 -2.09 -3.88 6.82 -1.04 -1.26 -4.98 114.28 103.15 1udl n THR 90 Ca 0.07 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.79 1udl n THR 90 Cb 0.09 -3.25 -0.13 0.00 -1.82 0.00 0.00 70.33 65.22 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 4.42 -0.44 8.00 1.11 -1.26 -5.07 116.67 120.24 1udl s ASP 91 Ca 0.41 -3.47 -0.26 0.00 0.18 0.00 0.00 52.55 49.40 1udl s ASP 91 Cb -0.18 -1.54 0.02 0.00 1.07 0.00 0.00 42.92 42.30 1udl s ASP 91 CO 0.50 -0.15 0.96 -0.44 1.18 0.00 0.00 175.17 177.22 1udl s SER 92 N -0.89 6.56 -0.06 0.27 0.01 -1.26 -5.02 113.70 113.31 1udl s SER 92 Ca 0.22 0.28 -0.24 0.00 1.31 0.00 0.00 55.95 57.53 1udl s SER 92 Cb -0.12 -2.47 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1udl s SER 92 CO -0.10 -1.04 0.72 -0.44 0.41 0.00 0.00 173.24 172.79 1udl s SER 93 N 2.20 7.01 0.00 2.44 0.01 -1.26 -5.00 113.70 119.10 1udl s SER 93 Ca 0.39 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.87 1udl s SER 93 Cb -0.10 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1udl s SER 93 CO 0.25 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.39 1udl n GLY 94 N 3.09 0.10 3.66 3.44 0.00 -1.26 -5.00 105.19 109.23 1udl n GLY 94 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 0.12 4.21 0.95 1.61 0.04 -1.26 -5.01 135.00 135.66 1udl s PRO 95 Ca 0.00 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1udl s PRO 95 Cb 0.00 -3.85 0.16 0.00 0.04 0.00 0.00 34.50 30.85 1udl s PRO 95 CO 0.00 -0.76 1.12 -1.54 0.04 0.00 0.00 177.00 175.85 1udl s SER 96 N 2.72 3.16 0.16 6.66 1.04 -1.26 -4.96 113.70 121.22 1udl s SER 96 Ca 0.67 1.06 -0.31 0.00 0.48 0.00 0.00 55.95 57.84 1udl s SER 96 Cb -0.30 -1.67 -0.10 0.00 0.10 0.00 0.00 66.02 64.05 1udl s SER 96 CO 0.25 -2.78 1.55 -0.94 0.98 0.00 0.00 173.24 172.30 1udl s SER 97 N -3.80 6.61 0.00 7.02 1.04 -1.26 -5.30 113.70 118.01 1udl s SER 97 Ca 0.64 2.59 0.00 0.00 0.48 0.00 0.00 55.95 59.67 1udl s SER 97 Cb -0.16 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1udl s SER 97 CO 0.55 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.57