#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 -0.03 -0.27 1.61 0.01 -1.26 -5.14 113.70 108.61 1udl s SER 2 Ca 0.00 -0.13 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 1udl s SER 2 Cb 0.00 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.45 1udl s SER 2 CO 0.00 -0.40 0.09 -0.55 0.41 0.00 0.00 173.24 172.79 1udl s SER 3 N -1.40 5.20 0.00 2.44 0.15 -1.26 -4.92 113.70 113.91 1udl s SER 3 Ca -0.14 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1udl s SER 3 Cb -0.07 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1udl s SER 3 CO 0.02 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1udl n GLY 4 N 4.92 -0.27 3.68 9.45 0.00 -1.26 -5.09 105.19 116.62 1udl n GLY 4 Ca -0.15 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.31 7.01 0.13 1.61 0.01 -1.26 -4.97 113.70 115.92 1udl s SER 5 Ca 0.00 1.24 -0.25 0.00 1.31 0.00 0.00 55.95 58.25 1udl s SER 5 Cb 0.00 -2.47 -0.15 0.00 0.21 0.00 0.00 66.02 63.62 1udl s SER 5 CO 0.00 -0.36 0.53 -1.20 0.41 0.00 0.00 173.24 172.62 1udl n SER 6 N 4.95 -0.82 0.00 2.44 7.64 -1.26 -4.93 113.62 121.64 1udl n SER 6 Ca 0.04 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1udl n SER 6 Cb 0.49 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.91 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 1.57 -0.08 3.77 0.23 0.00 -1.26 -5.15 105.19 104.27 1udl n GLY 7 Ca 0.15 0.71 -0.38 0.00 0.00 0.00 0.00 46.02 46.51 1udl n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1udl s GLN 8 N 0.00 3.95 1.01 1.61 0.00 -1.26 -5.01 119.66 119.96 1udl s GLN 8 Ca 0.00 1.79 -0.12 0.00 -0.00 0.00 0.00 55.36 57.03 1udl s GLN 8 Cb 0.00 -2.56 0.19 0.00 0.00 0.00 0.00 33.01 30.64 1udl s GLN 8 CO 0.00 -0.39 1.08 0.15 0.00 0.00 0.00 175.29 176.13 1udl s LYS 9 N -2.47 0.33 0.00 9.60 -0.14 -1.26 -4.80 119.74 121.01 1udl s LYS 9 Ca 0.60 0.93 0.00 0.00 -1.36 0.00 0.00 55.97 56.13 1udl s LYS 9 Cb -0.29 -1.69 0.00 0.00 -1.68 0.00 0.00 37.83 34.17 1udl s LYS 9 CO 0.36 -2.91 0.00 0.41 -0.76 0.00 0.00 175.35 172.45 1udl n GLY 10 N -0.19 1.29 3.71 -3.33 0.00 -1.26 -5.13 105.19 100.29 1udl n GLY 10 Ca 0.06 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1udl n GLY 10 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1udl s TRP 11 N 0.00 3.03 -0.52 1.61 -0.11 -1.26 -4.98 118.94 116.71 1udl s TRP 11 Ca 0.00 0.72 -0.11 0.00 1.22 0.00 0.00 56.10 57.92 1udl s TRP 11 Cb 0.00 -3.82 0.13 0.00 -1.50 0.00 0.00 33.47 28.28 1udl s TRP 11 CO 0.00 -3.03 0.43 -0.06 -4.62 0.00 0.00 176.95 169.67 1udl s PHE 12 N 1.42 3.39 1.16 5.86 0.40 -1.26 -5.08 117.98 123.87 1udl s PHE 12 Ca 0.68 -1.73 -0.19 0.00 -0.60 0.00 0.00 56.93 55.09 1udl s PHE 12 Cb -0.40 -3.61 0.29 0.00 0.51 0.00 0.00 43.02 39.81 1udl s PHE 12 CO 0.31 -1.00 1.03 -0.35 0.70 0.00 0.00 175.22 175.90 1udl n PRO 13 N 4.90 -3.03 -2.56 0.24 -0.04 -1.26 -4.92 135.00 128.34 1udl n PRO 13 Ca -0.08 -1.64 -0.41 0.00 -0.04 0.00 0.00 63.50 61.33 1udl n PRO 13 Cb 0.41 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1udl n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl s ALA 14 N -3.01 2.74 0.05 0.55 0.00 -1.26 -4.98 121.76 115.85 1udl s ALA 14 Ca 0.67 -1.76 -0.31 0.00 0.00 0.00 0.00 51.96 50.56 1udl s ALA 14 Cb -0.07 -4.37 -0.07 0.00 0.00 0.00 0.00 23.12 18.62 1udl s ALA 14 CO 0.51 -3.42 1.44 0.45 0.00 0.00 0.00 175.76 174.75 1udl s SER 15 N 4.26 6.79 0.69 0.00 0.15 -1.26 -4.98 113.70 119.35 1udl s SER 15 Ca 0.39 2.26 -0.15 0.00 0.70 0.00 0.00 55.95 59.15 1udl s SER 15 Cb -0.05 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1udl s SER 15 CO 0.04 -0.73 1.17 -2.28 1.20 0.00 0.00 173.24 172.64 1udl s HIS 16 N 2.00 2.30 -0.18 3.44 2.46 -1.26 -5.02 115.29 119.02 1udl s HIS 16 Ca 0.66 1.58 -0.08 0.00 0.47 0.00 0.00 55.06 57.69 1udl s HIS 16 Cb -0.35 -3.35 -0.04 0.00 -0.13 0.00 0.00 32.58 28.71 1udl s HIS 16 CO 0.29 -2.21 0.07 0.54 -2.47 0.00 0.00 174.74 170.96 1udl s VAL 17 N -2.10 4.89 -1.14 0.89 0.11 -1.26 -5.04 120.40 116.75 1udl s VAL 17 Ca 0.71 0.00 -0.17 0.00 -2.93 0.00 0.00 61.98 59.60 1udl s VAL 17 Cb -0.26 -3.21 0.13 0.00 -1.53 0.00 0.00 36.38 31.51 1udl s VAL 17 CO 0.43 0.46 1.42 -0.54 -3.33 0.00 0.00 175.10 173.54 1udl s LYS 18 N 0.36 3.89 -0.29 1.54 3.01 -1.26 -4.98 119.74 122.01 1udl s LYS 18 Ca 0.04 -2.09 -0.28 0.00 -1.01 0.00 0.00 55.97 52.63 1udl s LYS 18 Cb -0.12 -5.16 0.01 0.00 -1.01 0.00 0.00 37.83 31.55 1udl s LYS 18 CO -0.00 -1.92 1.04 -1.17 0.51 0.00 0.00 175.35 173.80 1udl s LEU 19 N 2.80 3.99 -0.09 3.17 0.20 -1.26 -5.00 118.68 122.49 1udl s LEU 19 Ca 0.43 1.11 -0.30 0.00 0.69 0.00 0.00 54.13 56.07 1udl s LEU 19 Cb -0.02 -3.50 -0.02 0.00 -0.43 0.00 0.00 46.19 42.22 1udl s LEU 19 CO -0.02 -0.79 1.15 -1.48 -0.29 0.00 0.00 176.35 174.92 1udl s LEU 20 N 3.46 4.24 -0.12 -0.68 0.05 -1.26 -4.99 118.68 119.38 1udl s LEU 20 Ca 0.44 1.70 -0.33 0.00 0.05 0.00 0.00 54.13 55.99 1udl s LEU 20 Cb -0.13 -3.55 0.13 0.00 -2.05 0.00 0.00 46.19 40.58 1udl s LEU 20 CO 0.12 -0.58 1.17 -0.83 -0.55 0.00 0.00 176.35 175.68 1udl s GLY 21 N 1.44 -0.34 0.00 -3.48 0.00 -1.26 -5.00 107.32 98.68 1udl s GLY 21 Ca 0.53 1.29 0.11 0.00 0.00 0.00 0.00 44.72 46.65 1udl s GLY 21 CO 0.19 0.41 1.07 -1.55 0.00 0.00 0.00 173.10 173.21 1udl n PRO 22 N -0.20 0.49 -3.50 2.90 -0.04 -1.26 -4.73 135.00 128.66 1udl n PRO 22 Ca -0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 1udl n PRO 22 Cb 0.60 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.68 1udl n PRO 22 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1udl s SER 23 N -1.84 -0.54 -0.63 3.54 1.04 -1.26 -5.12 113.70 108.90 1udl s SER 23 Ca 0.16 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.78 1udl s SER 23 Cb 0.07 0.55 0.16 0.00 0.10 0.00 0.00 66.02 66.90 1udl s SER 23 CO 0.12 -0.81 0.42 -0.44 0.98 0.00 0.00 173.24 173.51 1udl s SER 24 N -2.19 4.95 0.08 7.02 0.01 -1.26 -5.01 113.70 117.29 1udl s SER 24 Ca -0.03 -3.12 0.03 0.00 1.31 0.00 0.00 55.95 54.14 1udl s SER 24 Cb -0.00 -1.76 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1udl s SER 24 CO -0.05 -0.27 0.06 -1.61 0.41 0.00 0.00 173.24 171.78 1udl s GLU 25 N -0.45 2.80 -0.19 12.44 2.02 -1.26 -5.11 118.70 128.95 1udl s GLU 25 Ca 0.19 -0.72 -0.06 0.00 0.02 0.00 0.00 54.97 54.39 1udl s GLU 25 Cb -0.19 -2.68 -0.03 0.00 0.10 0.00 0.00 34.13 31.32 1udl s GLU 25 CO -0.05 0.56 0.04 0.50 0.02 0.00 0.00 175.26 176.34 1udl s ARG 26 N -2.36 3.82 -0.78 1.61 3.52 -1.26 -5.05 118.95 118.44 1udl s ARG 26 Ca 0.28 -0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 55.42 1udl s ARG 26 Cb -0.12 -3.17 0.20 0.00 -1.56 0.00 0.00 34.95 30.30 1udl s ARG 26 CO 0.21 0.14 0.65 0.00 -0.81 0.00 0.00 175.30 175.49 1udl s ALA 27 N 0.70 3.97 -0.45 6.12 0.00 -1.26 -4.99 121.76 125.85 1udl s ALA 27 Ca 0.02 -3.54 0.03 0.00 0.00 0.00 0.00 51.96 48.46 1udl s ALA 27 Cb -0.14 -2.87 0.13 0.00 0.00 0.00 0.00 23.12 20.24 1udl s ALA 27 CO 0.02 -2.15 0.22 0.95 0.00 0.00 0.00 175.76 174.80 1udl s THR 28 N -0.64 1.89 -0.02 0.00 -4.23 -1.26 -4.98 115.64 106.41 1udl s THR 28 Ca 0.22 -2.74 -0.25 0.00 -1.18 0.00 0.00 61.69 57.74 1udl s THR 28 Cb -0.13 -2.33 -0.20 0.00 1.34 0.00 0.00 72.50 71.18 1udl s THR 28 CO -0.08 -0.82 1.27 1.55 -0.54 0.00 0.00 174.62 176.01 1udl h PRO 29 N 6.82 0.04 -1.31 3.99 0.13 -2.08 -3.47 132.00 136.13 1udl h PRO 29 Ca -0.05 -0.02 0.15 0.00 -0.87 0.00 0.00 66.00 65.21 1udl h PRO 29 Cb 0.93 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.76 1udl h PRO 29 CO 0.56 0.52 0.59 0.00 -0.23 0.00 0.00 178.00 179.44 1udl s ALA 30 N -4.24 -2.39 -0.05 -0.56 0.00 -1.26 -5.16 121.76 108.10 1udl s ALA 30 Ca -0.16 2.02 -0.17 0.00 0.00 0.00 0.00 51.96 53.65 1udl s ALA 30 Cb 0.02 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.29 1udl s ALA 30 CO 0.68 -0.29 0.48 -0.59 0.00 0.00 0.00 175.76 176.04 1udl s PHE 31 N 0.95 3.63 -0.58 0.00 -0.12 -1.26 -5.05 117.98 115.56 1udl s PHE 31 Ca -0.05 0.99 -0.11 0.00 -0.05 0.00 0.00 56.93 57.71 1udl s PHE 31 Cb -0.03 -2.47 0.15 0.00 -0.63 0.00 0.00 43.02 40.03 1udl s PHE 31 CO -0.12 0.37 0.47 -3.38 -0.05 0.00 0.00 175.22 172.52 1udl s HIS 32 N -0.15 3.45 0.84 3.49 -3.43 -1.26 -5.08 115.29 113.15 1udl s HIS 32 Ca 0.26 -1.87 -0.11 0.00 -0.80 0.00 0.00 55.06 52.54 1udl s HIS 32 Cb -0.16 -3.59 0.09 0.00 -1.43 0.00 0.00 32.58 27.49 1udl s HIS 32 CO 0.13 -0.98 1.09 -1.25 -2.00 0.00 0.00 174.74 171.73 1udl s PRO 33 N 1.01 1.73 0.04 -0.38 0.04 -1.26 -4.99 135.00 131.19 1udl s PRO 33 Ca 0.09 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 1udl s PRO 33 Cb -0.23 -1.85 -0.19 0.00 0.04 0.00 0.00 34.50 32.27 1udl s PRO 33 CO -0.02 -1.96 1.21 0.28 0.04 0.00 0.00 177.00 176.55 1udl h VAL 34 N -1.35 1.37 -1.48 -0.36 2.07 0.46 -3.48 116.25 113.48 1udl h VAL 34 Ca -0.47 -1.90 0.26 0.00 0.82 0.00 0.00 66.70 65.41 1udl h VAL 34 Cb 1.26 2.27 -0.18 0.00 -1.52 0.00 0.00 31.29 33.12 1udl h VAL 34 CO 0.53 0.57 0.81 0.00 0.02 0.00 0.00 177.57 179.50 1udl s GLN 36 N -2.42 3.83 0.46 0.00 0.74 -1.26 0.20 119.66 121.21 1udl s GLN 36 Ca 0.10 -0.38 0.06 0.00 0.05 0.00 0.00 55.36 55.19 1udl s GLN 36 Cb -0.01 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.56 1udl s GLN 36 CO -0.05 -0.18 0.27 0.14 -0.55 0.00 0.00 175.29 174.93 1udl s VAL 37 N 1.70 2.10 -0.06 1.34 -7.23 -0.19 -3.27 120.40 114.78 1udl s VAL 37 Ca 0.07 -1.58 0.04 0.00 -1.81 0.00 0.00 61.98 58.69 1udl s VAL 37 Cb -0.16 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1udl s VAL 37 CO 0.08 0.00 -0.18 -0.51 -0.31 0.00 0.00 175.10 174.18 1udl s ILE 38 N -2.65 1.51 0.07 -0.62 2.07 -1.03 -3.68 121.20 116.87 1udl s ILE 38 Ca 0.38 -0.74 -0.31 0.00 -1.41 0.00 0.00 60.65 58.58 1udl s ILE 38 Cb 0.00 -1.31 -0.08 0.00 0.13 0.00 0.00 42.46 41.20 1udl s ILE 38 CO 0.22 0.44 1.71 0.00 -1.91 0.00 0.00 174.94 175.39 1udl s ALA 39 N 0.23 3.68 0.09 1.50 0.00 -1.25 -1.63 121.76 124.38 1udl s ALA 39 Ca -0.09 1.24 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 1udl s ALA 39 Cb -0.14 -3.72 -0.22 0.00 0.00 0.00 0.00 23.12 19.04 1udl s ALA 39 CO 0.04 -1.19 1.19 0.52 0.00 0.00 0.00 175.76 176.32 1udl h MET 40 N 8.66 0.31 -4.05 0.00 0.00 -1.37 -1.56 114.93 116.93 1udl h MET 40 Ca -0.43 -0.46 -0.19 0.00 0.00 0.00 0.00 59.70 58.61 1udl h MET 40 Cb 1.20 0.16 -0.22 0.00 0.00 0.00 0.00 31.60 32.75 1udl h MET 40 CO 0.94 1.18 -0.71 0.71 0.00 0.00 0.00 176.91 179.03 1udl s TYR 41 N -2.84 0.30 0.13 -0.22 2.02 -1.26 -4.85 117.35 110.63 1udl s TYR 41 Ca -0.05 -0.49 -0.34 0.00 -0.37 0.00 0.00 57.07 55.83 1udl s TYR 41 Cb 0.08 -0.21 -0.13 0.00 -0.40 0.00 0.00 41.96 41.30 1udl s TYR 41 CO 0.88 -0.16 1.64 -3.47 -1.57 0.00 0.00 175.55 172.87 1udl n ASP 42 N 1.70 3.26 -4.47 2.29 -0.08 -1.26 -4.34 116.55 113.64 1udl n ASP 42 Ca -0.23 1.06 -0.33 0.00 -1.51 0.00 0.00 54.79 53.79 1udl n ASP 42 Cb 0.55 -1.44 -0.13 0.00 2.34 0.00 0.00 41.12 42.44 1udl n ASP 42 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1udl s TYR 43 N 1.38 2.76 -0.26 -0.67 6.14 0.17 -4.88 117.35 122.00 1udl s TYR 43 Ca 0.80 -0.23 -0.01 0.00 0.64 0.00 0.00 57.07 58.28 1udl s TYR 43 Cb -0.66 -1.69 0.08 0.00 0.42 0.00 0.00 41.96 40.11 1udl s TYR 43 CO 0.39 0.13 0.04 0.00 0.64 0.00 0.00 175.55 176.75 1udl s ALA 44 N -0.51 1.50 0.05 3.97 0.00 -1.26 -0.59 121.76 124.92 1udl s ALA 44 Ca 0.07 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.39 1udl s ALA 44 Cb -0.12 -1.45 -0.10 0.00 0.00 0.00 0.00 23.12 21.44 1udl s ALA 44 CO 0.02 -1.41 1.89 0.00 0.00 0.00 0.00 175.76 176.25 1udl n ALA 45 N 4.85 1.68 0.89 0.00 0.00 -1.26 -4.86 120.51 121.83 1udl n ALA 45 Ca -0.06 0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1udl n ALA 45 Cb 0.44 -2.60 0.36 0.00 0.00 0.00 0.00 19.45 17.65 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 6.43 0.41 -3.76 0.00 3.02 -1.26 -4.91 115.26 115.18 1udl n ASN 46 Ca 0.20 0.12 -0.22 0.00 -0.03 0.00 0.00 54.58 54.65 1udl n ASN 46 Cb 0.37 -0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.37 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 -3.35 2.11 -0.14 6.41 4.22 -1.26 -5.03 114.94 117.89 1udl s ASN 47 Ca 0.11 -1.70 0.03 0.00 -2.14 0.00 0.00 52.86 49.16 1udl s ASN 47 Cb 0.17 0.53 0.30 0.00 1.28 0.00 0.00 41.25 43.52 1udl s ASN 47 CO 0.64 -0.99 1.21 -1.84 -2.04 0.00 0.00 177.10 174.08 1udl n GLU 48 N -0.74 1.97 0.00 3.55 0.28 -1.26 -3.45 120.64 120.99 1udl n GLU 48 Ca 0.01 -1.23 0.00 0.00 -0.16 0.00 0.00 57.16 55.78 1udl n GLU 48 Cb 0.64 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.89 1udl n GLU 48 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1udl n ASP 49 N 0.02 2.85 -4.99 -1.84 8.00 -1.26 -5.07 116.55 114.26 1udl n ASP 49 Ca 0.18 -0.12 -0.19 0.00 0.71 0.00 0.00 54.79 55.38 1udl n ASP 49 Cb 0.82 0.80 0.01 0.00 -0.02 0.00 0.00 41.12 42.74 1udl n ASP 49 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1udl s GLU 50 N -1.37 2.82 -0.20 -1.24 2.02 -1.22 -3.30 118.70 116.21 1udl s GLU 50 Ca 0.00 -1.05 -0.06 0.00 0.02 0.00 0.00 54.97 53.89 1udl s GLU 50 Cb 0.00 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.51 1udl s GLU 50 CO 0.00 -0.33 0.02 -1.17 0.02 0.00 0.00 175.26 173.80 1udl s LEU 51 N -4.44 3.40 -0.35 1.80 0.20 -1.08 -4.55 118.68 113.66 1udl s LEU 51 Ca 0.54 -0.13 -0.16 0.00 0.69 0.00 0.00 54.13 55.07 1udl s LEU 51 Cb -0.10 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.79 1udl s LEU 51 CO 0.34 0.09 0.40 -0.94 -0.29 0.00 0.00 176.35 175.95 1udl s SER 52 N 0.85 6.20 0.21 3.68 1.04 -1.26 -3.98 113.70 120.45 1udl s SER 52 Ca 0.01 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 1udl s SER 52 Cb -0.14 -2.21 -0.03 0.00 0.10 0.00 0.00 66.02 63.74 1udl s SER 52 CO 0.02 -0.39 0.23 0.72 0.98 0.00 0.00 173.24 174.81 1udl s PHE 53 N 2.09 0.93 0.33 5.02 -0.12 0.24 -4.91 117.98 121.55 1udl s PHE 53 Ca 0.13 -1.19 0.09 0.00 -0.05 0.00 0.00 56.93 55.91 1udl s PHE 53 Cb -0.16 -0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 41.84 1udl s PHE 53 CO 0.12 -0.75 0.09 -1.12 -0.05 0.00 0.00 175.22 173.51 1udl s SER 54 N -3.12 4.54 -0.03 1.98 0.01 -1.26 0.45 113.70 116.27 1udl s SER 54 Ca 0.34 -0.81 -0.36 0.00 1.31 0.00 0.00 55.95 56.44 1udl s SER 54 Cb 0.05 -0.70 -0.14 0.00 0.21 0.00 0.00 66.02 65.44 1udl s SER 54 CO 0.11 -0.24 1.69 1.17 0.41 0.00 0.00 173.24 176.38 1udl n LYS 55 N -1.06 1.83 -1.63 12.44 4.81 -1.26 -1.62 118.16 131.66 1udl n LYS 55 Ca -0.04 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1udl n LYS 55 Cb 0.61 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.23 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 3.81 0.74 3.87 3.14 0.00 -0.59 -4.95 105.19 111.21 1udl n GLY 56 Ca 0.21 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1udl n GLY 56 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1udl s GLN 57 N -3.45 3.81 -0.55 1.61 2.00 -0.64 -4.84 119.66 117.61 1udl s GLN 57 Ca 0.00 0.46 -0.28 0.00 -2.00 0.00 0.00 55.36 53.54 1udl s GLN 57 Cb 0.00 -2.43 0.01 0.00 0.80 0.00 0.00 33.01 31.39 1udl s GLN 57 CO 0.00 0.04 1.40 -1.17 -0.50 0.00 0.00 175.29 175.06 1udl s LEU 58 N -3.59 3.43 -0.04 3.68 2.96 -1.26 -3.96 118.68 119.89 1udl s LEU 58 Ca 0.51 0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 1udl s LEU 58 Cb -0.10 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.48 1udl s LEU 58 CO 0.28 -1.66 -0.10 -0.63 -1.32 0.00 0.00 176.35 172.91 1udl s ILE 59 N 5.92 0.94 -0.25 6.68 1.01 -1.24 -4.04 121.20 130.22 1udl s ILE 59 Ca 0.53 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1udl s ILE 59 Cb -0.11 -0.85 0.06 0.00 0.01 0.00 0.00 42.46 41.57 1udl s ILE 59 CO 0.26 0.30 -0.09 0.20 0.00 0.00 0.00 174.94 175.60 1udl s ASN 60 N 0.39 4.22 -0.00 3.58 -0.87 -1.22 -1.02 114.94 120.00 1udl s ASN 60 Ca -0.07 -1.30 -0.30 0.00 -1.57 0.00 0.00 52.86 49.61 1udl s ASN 60 Cb -0.12 -1.43 -0.08 0.00 -0.02 0.00 0.00 41.25 39.61 1udl s ASN 60 CO 0.02 -0.20 1.90 -0.69 -2.57 0.00 0.00 177.10 175.56 1udl s VAL 61 N 1.20 3.17 -0.11 1.60 1.01 0.13 -3.29 120.40 124.11 1udl s VAL 61 Ca -0.08 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1udl s VAL 61 Cb -0.19 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 1udl s VAL 61 CO -0.06 -0.02 -0.02 0.23 0.00 0.00 0.00 175.10 175.23 1udl n MET 62 N 7.52 1.61 -3.64 2.72 0.00 0.78 0.10 117.12 126.21 1udl n MET 62 Ca 0.20 0.02 -0.28 0.00 0.00 0.00 0.00 57.70 57.64 1udl n MET 62 Cb 0.42 -1.26 -0.16 0.00 0.00 0.00 0.00 33.22 32.22 1udl n MET 62 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 1udl s ASN 63 N -4.62 3.02 -0.30 7.83 -0.87 -1.22 -4.52 114.94 114.26 1udl s ASN 63 Ca -0.10 -0.97 0.07 0.00 -1.57 0.00 0.00 52.86 50.29 1udl s ASN 63 Cb 0.04 -0.43 0.46 0.00 -0.02 0.00 0.00 41.25 41.29 1udl s ASN 63 CO 0.37 -0.37 1.24 2.29 -2.57 0.00 0.00 177.10 178.07 1udl n LYS 64 N 5.16 3.34 -0.31 -0.60 2.85 -1.26 -1.66 118.16 125.68 1udl n LYS 64 Ca -0.07 -4.02 0.14 0.00 -1.05 0.00 0.00 58.31 53.31 1udl n LYS 64 Cb 0.46 -2.21 0.33 0.00 -0.65 0.00 0.00 35.03 32.95 1udl n LYS 64 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1udl h ASP 65 N 2.04 0.41 -3.43 -5.58 2.03 -1.95 -3.37 116.42 106.57 1udl h ASP 65 Ca 0.35 0.15 -0.61 0.00 -0.73 0.00 0.00 57.03 56.19 1udl h ASP 65 Cb 1.45 0.11 -0.13 0.00 -0.83 0.00 0.00 39.33 39.93 1udl h ASP 65 CO 0.73 0.02 -0.48 -1.81 -1.03 0.00 0.00 179.24 176.67 1udl s ASP 66 N -5.18 6.18 0.00 4.15 1.01 -1.26 -4.96 116.67 116.61 1udl s ASP 66 Ca -0.11 0.20 0.12 0.00 0.71 0.00 0.00 52.55 53.46 1udl s ASP 66 Cb 0.26 -2.11 0.72 0.00 1.01 0.00 0.00 42.92 42.80 1udl s ASP 66 CO 0.78 0.11 1.15 -0.81 0.21 0.00 0.00 175.17 176.62 1udl n PRO 67 N 3.92 0.49 -0.13 8.23 -0.04 -1.26 -2.97 135.00 143.23 1udl n PRO 67 Ca -0.15 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.03 1udl n PRO 67 Cb 0.52 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.89 1.95 -4.28 3.54 8.00 -1.26 -4.80 116.55 118.81 1udl n ASP 68 Ca 0.09 0.31 -0.26 0.00 0.71 0.00 0.00 54.79 55.63 1udl n ASP 68 Cb 0.04 -0.81 -0.14 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 1.92 0.21 1.24 0.52 -1.16 -1.02 118.94 118.16 1udl s TRP 69 Ca -0.37 -0.39 0.09 0.00 0.02 0.00 0.00 56.10 55.46 1udl s TRP 69 Cb 0.13 -1.12 -0.05 0.00 -1.15 0.00 0.00 33.47 31.28 1udl s TRP 69 CO 0.52 0.13 -0.18 -1.58 0.02 0.00 0.00 176.95 175.86 1udl s TRP 70 N -0.88 1.94 -0.21 -1.98 0.51 0.11 -4.23 118.94 114.21 1udl s TRP 70 Ca 0.08 -0.46 -0.03 0.00 -2.12 0.00 0.00 56.10 53.57 1udl s TRP 70 Cb -0.09 -0.91 -0.01 0.00 -0.81 0.00 0.00 33.47 31.64 1udl s TRP 70 CO 0.03 0.45 -0.05 -1.14 -0.51 0.00 0.00 176.95 175.72 1udl s GLN 71 N -3.23 3.40 0.39 4.98 0.74 -0.67 -2.42 119.66 122.85 1udl s GLN 71 Ca 0.22 -0.62 0.02 0.00 0.05 0.00 0.00 55.36 55.03 1udl s GLN 71 Cb -0.04 -2.96 -0.01 0.00 1.10 0.00 0.00 33.01 31.10 1udl s GLN 71 CO 0.09 -0.12 0.09 0.41 -0.55 0.00 0.00 175.29 175.21 1udl n GLY 72 N 4.56 3.43 3.16 2.59 0.00 -1.26 -0.16 105.19 117.51 1udl n GLY 72 Ca -0.18 -2.17 -0.18 0.00 0.00 0.00 0.00 46.02 43.48 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 -3.46 0.80 -0.25 1.61 4.04 -1.21 -3.49 118.70 116.75 1udl s GLU 73 Ca 0.13 -0.91 -0.02 0.00 0.04 0.00 0.00 54.97 54.20 1udl s GLU 73 Cb 0.01 -0.79 0.12 0.00 0.02 0.00 0.00 34.13 33.49 1udl s GLU 73 CO 0.09 0.18 0.29 0.42 -1.84 0.00 0.00 175.26 174.40 1udl s ILE 74 N -1.23 -0.43 -0.96 1.83 1.01 0.75 -3.43 121.20 118.73 1udl s ILE 74 Ca -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 1udl s ILE 74 Cb -0.10 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.53 1udl s ILE 74 CO 0.02 -0.29 0.80 0.59 0.00 0.00 0.00 174.94 176.06 1udl n ASN 75 N 5.33 -2.17 0.00 3.58 3.02 -1.26 -2.19 115.26 121.56 1udl n ASN 75 Ca -0.04 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1udl n ASN 75 Cb 0.48 -4.24 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 0.24 3.71 7.41 0.00 -1.26 -4.98 105.19 109.19 1udl n GLY 76 Ca -0.23 0.00 -0.30 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 -1.50 4.17 -0.00 1.61 0.11 -0.93 -5.13 120.40 118.73 1udl s VAL 77 Ca 0.00 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.19 1udl s VAL 77 Cb 0.00 -2.98 -0.01 0.00 -1.53 0.00 0.00 36.38 31.86 1udl s VAL 77 CO 0.00 0.14 -0.10 0.42 -3.33 0.00 0.00 175.10 172.23 1udl s THR 78 N -1.31 0.77 0.00 5.04 -4.23 -1.26 -0.18 115.64 114.47 1udl s THR 78 Ca 0.26 -0.47 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1udl s THR 78 Cb -0.12 -0.66 0.00 0.00 1.34 0.00 0.00 72.50 73.06 1udl s THR 78 CO 0.19 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 1udl n GLY 79 N 2.74 4.37 2.85 3.99 0.00 -1.23 -4.92 105.19 112.99 1udl n GLY 79 Ca -0.14 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 1.52 0.04 0.99 1.43 -1.21 -4.40 118.68 117.05 1udl s LEU 80 Ca 0.00 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 52.98 1udl s LEU 80 Cb 0.00 0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.29 1udl s LEU 80 CO 0.00 -0.06 0.40 0.72 0.23 0.00 0.00 176.35 177.64 1udl s PHE 81 N 0.49 -0.25 0.45 0.29 -0.12 -1.02 -2.63 117.98 115.20 1udl s PHE 81 Ca -0.04 0.21 -0.23 0.00 -0.05 0.00 0.00 56.93 56.82 1udl s PHE 81 Cb -0.06 0.20 -0.08 0.00 -0.63 0.00 0.00 43.02 42.46 1udl s PHE 81 CO -0.02 -0.56 1.17 -1.25 -0.05 0.00 0.00 175.22 174.52 1udl s PRO 82 N -2.41 3.80 0.00 1.99 0.04 -1.26 0.10 135.00 137.25 1udl s PRO 82 Ca -0.06 1.79 0.12 0.00 0.04 0.00 0.00 61.00 62.90 1udl s PRO 82 Cb -0.01 -2.45 0.73 0.00 0.04 0.00 0.00 34.50 32.81 1udl s PRO 82 CO -0.02 -0.52 1.33 -1.13 0.04 0.00 0.00 177.00 176.70 1udl n SER 83 N -0.40 0.00 -0.19 6.66 3.41 -0.19 -2.43 113.62 120.48 1udl n SER 83 Ca 0.07 -1.26 0.09 0.00 -0.26 0.00 0.00 58.87 57.51 1udl n SER 83 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.73 1.31 -1.59 4.04 0.23 -1.26 -4.20 115.26 113.05 1udl n ASN 84 Ca 0.09 -1.15 0.10 0.00 -0.53 0.00 0.00 54.58 53.09 1udl n ASN 84 Cb 0.04 0.78 0.36 0.00 -2.08 0.00 0.00 39.78 38.88 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1udl n TYR 85 N -0.86 1.46 -3.83 -2.53 4.02 -1.02 -4.91 117.16 109.49 1udl n TYR 85 Ca 0.06 -0.60 -0.11 0.00 -0.01 0.00 0.00 57.90 57.24 1udl n TYR 85 Cb 0.35 -0.22 -0.08 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.75 0.10 -0.05 -0.72 -7.23 -1.26 -0.92 120.40 108.57 1udl s VAL 86 Ca 0.52 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 1udl s VAL 86 Cb 0.33 -0.83 0.03 0.00 0.56 0.00 0.00 36.38 36.46 1udl s VAL 86 CO 0.26 -0.44 -0.02 -0.75 -0.31 0.00 0.00 175.10 173.85 1udl s LYS 87 N -2.31 0.60 -0.30 4.82 2.20 -0.64 -4.88 119.74 119.22 1udl s LYS 87 Ca -0.07 0.02 -0.40 0.00 -0.36 0.00 0.00 55.97 55.16 1udl s LYS 87 Cb -0.02 -0.77 -0.15 0.00 -1.51 0.00 0.00 37.83 35.37 1udl s LYS 87 CO -0.02 -0.16 1.81 -1.33 -0.36 0.00 0.00 175.35 175.28 1udl n MET 88 N 4.41 1.09 -0.37 4.03 2.81 -1.26 -2.46 117.12 125.37 1udl n MET 88 Ca -0.20 0.39 -0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1udl n MET 88 Cb 0.50 -2.11 0.14 0.00 -0.71 0.00 0.00 33.22 31.04 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 5.50 1.18 -4.86 2.03 1.35 -1.88 -3.46 112.91 112.76 1udl h THR 89 Ca -0.43 -0.44 -0.39 0.00 -0.55 0.00 0.00 66.41 64.60 1udl h THR 89 Cb 1.32 -0.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1udl h THR 89 CO 0.97 0.23 -0.58 0.41 -0.25 0.00 0.00 175.52 176.30 1udl n THR 90 N -4.44 -1.60 -2.71 6.82 -1.04 -1.26 -4.91 114.28 105.14 1udl n THR 90 Ca 0.13 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.71 1udl n THR 90 Cb 0.09 -2.80 -0.03 0.00 -1.82 0.00 0.00 70.33 65.76 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 -2.70 6.65 0.66 8.00 2.15 -1.26 -5.02 116.67 125.14 1udl s ASP 91 Ca 0.34 0.49 -0.14 0.00 0.43 0.00 0.00 52.55 53.67 1udl s ASP 91 Cb -0.16 -2.50 -0.00 0.00 -0.30 0.00 0.00 42.92 39.95 1udl s ASP 91 CO 0.42 -1.06 1.08 -0.44 -0.17 0.00 0.00 175.17 175.00 1udl s SER 92 N 2.16 5.33 -0.54 -0.34 0.01 -1.26 -4.97 113.70 114.09 1udl s SER 92 Ca 0.43 1.83 0.01 0.00 1.31 0.00 0.00 55.95 59.53 1udl s SER 92 Cb -0.10 -2.53 0.45 0.00 0.21 0.00 0.00 66.02 64.05 1udl s SER 92 CO 0.25 -1.48 1.71 -1.54 0.41 0.00 0.00 173.24 172.59 1udl n SER 93 N -2.56 6.62 -3.62 2.44 3.41 -1.26 -4.96 113.62 113.70 1udl n SER 93 Ca 0.09 -3.78 -0.09 0.00 -0.26 0.00 0.00 58.87 54.84 1udl n SER 93 Cb 0.53 -0.74 -0.06 0.00 -0.26 0.00 0.00 64.21 63.68 1udl n SER 93 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1udl s GLY 94 N -2.48 -0.13 0.66 5.00 0.00 -1.26 -5.17 107.32 103.95 1udl s GLY 94 Ca 0.59 2.53 -0.15 0.00 0.00 0.00 0.00 44.72 47.69 1udl s GLY 94 CO -0.02 1.50 1.11 2.56 0.00 0.00 0.00 173.10 178.25 1udl s PRO 95 N -0.38 2.80 -0.33 2.90 0.04 -1.26 -5.03 135.00 133.73 1udl s PRO 95 Ca 0.02 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.40 1udl s PRO 95 Cb -0.03 -1.95 0.05 0.00 0.04 0.00 0.00 34.50 32.61 1udl s PRO 95 CO -0.04 -1.25 0.08 -1.12 0.04 0.00 0.00 177.00 174.71 1udl s SER 96 N -2.59 5.17 -0.16 6.66 0.01 -1.26 -5.08 113.70 116.45 1udl s SER 96 Ca 0.67 -1.29 -0.01 0.00 1.31 0.00 0.00 55.95 56.63 1udl s SER 96 Cb -0.20 -1.81 -0.01 0.00 0.21 0.00 0.00 66.02 64.21 1udl s SER 96 CO 0.42 -0.33 -0.12 -0.94 0.41 0.00 0.00 173.24 172.67 1udl s SER 97 N 1.43 3.96 0.00 2.44 1.04 -1.26 -5.34 113.70 115.97 1udl s SER 97 Ca -0.02 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1udl s SER 97 Cb -0.20 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1udl s SER 97 CO 0.01 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.94