#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 -1.72 -4.09 1.61 2.88 -1.26 -4.93 113.62 106.11 1udl n SER 2 Ca 0.00 0.70 -0.36 0.00 -1.33 0.00 0.00 58.87 57.88 1udl n SER 2 Cb 0.00 -1.10 -0.08 0.00 -0.75 0.00 0.00 64.21 62.28 1udl n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1udl s SER 3 N -1.15 5.56 0.00 -3.46 0.01 -1.26 -4.95 113.70 108.45 1udl s SER 3 Ca 0.65 -3.28 0.00 0.00 1.31 0.00 0.00 55.95 54.64 1udl s SER 3 Cb -0.45 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1udl s SER 3 CO 0.58 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1udl n GLY 4 N 2.92 1.32 3.30 3.44 0.00 -1.26 -5.17 105.19 109.73 1udl n GLY 4 Ca 0.14 0.48 -0.30 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 2.97 0.19 1.61 0.01 -1.26 -5.09 113.70 112.13 1udl s SER 5 Ca 0.00 -0.47 -0.30 0.00 1.31 0.00 0.00 55.95 56.50 1udl s SER 5 Cb 0.00 -0.33 -0.17 0.00 0.21 0.00 0.00 66.02 65.74 1udl s SER 5 CO 0.00 0.31 0.72 -1.20 0.41 0.00 0.00 173.24 173.47 1udl n SER 6 N 2.41 -0.44 0.00 2.44 7.64 -1.26 -4.93 113.62 119.48 1udl n SER 6 Ca -0.16 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1udl n SER 6 Cb 0.51 -1.03 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 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 1.80 -1.85 3.45 0.23 0.00 -1.26 -5.16 105.19 102.40 1udl n GLY 7 Ca 0.16 0.97 -0.33 0.00 0.00 0.00 0.00 46.02 46.83 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 0.00 2.59 0.17 1.61 -1.52 -1.26 -5.02 119.66 116.23 1udl s GLN 8 Ca 0.00 -0.71 -0.16 0.00 -1.95 0.00 0.00 55.36 52.54 1udl s GLN 8 Cb 0.00 -2.39 0.14 0.00 -0.22 0.00 0.00 33.01 30.54 1udl s GLN 8 CO 0.00 0.57 1.23 1.63 -0.25 0.00 0.00 175.29 178.47 1udl n LYS 9 N 2.47 -0.22 -2.56 2.91 5.02 -1.26 -4.81 118.16 119.70 1udl n LYS 9 Ca -0.17 1.22 -0.08 0.00 -2.02 0.00 0.00 58.31 57.26 1udl n LYS 9 Cb 0.52 -1.81 0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1udl n LYS 9 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1udl n GLY 10 N -1.34 0.28 3.49 0.72 0.00 -1.26 -4.78 105.19 102.31 1udl n GLY 10 Ca 0.07 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.79 2.75 -0.33 1.61 -0.11 -1.26 -5.04 118.94 113.77 1udl s TRP 11 Ca 0.12 -0.13 0.03 0.00 1.22 0.00 0.00 56.10 57.33 1udl s TRP 11 Cb -0.05 -1.65 0.10 0.00 -1.50 0.00 0.00 33.47 30.37 1udl s TRP 11 CO 0.14 0.21 0.06 -0.59 -4.62 0.00 0.00 176.95 172.15 1udl s PHE 12 N -0.73 3.21 0.54 5.86 -0.71 -1.26 -5.12 117.98 119.76 1udl s PHE 12 Ca 0.11 -2.65 -0.09 0.00 -1.04 0.00 0.00 56.93 53.26 1udl s PHE 12 Cb -0.11 -2.58 0.13 0.00 -1.21 0.00 0.00 43.02 39.26 1udl s PHE 12 CO 0.01 -0.93 0.48 -0.35 -1.34 0.00 0.00 175.22 173.09 1udl n PRO 13 N 4.41 -1.95 -1.26 1.99 -0.04 -1.26 -4.94 135.00 131.96 1udl n PRO 13 Ca 0.02 -0.76 -0.30 0.00 -0.04 0.00 0.00 63.50 62.42 1udl n PRO 13 Cb 0.42 -0.71 0.12 0.00 -0.04 0.00 0.00 33.50 33.28 1udl n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1udl n ALA 14 N -3.82 5.97 -2.53 0.55 0.00 -1.26 -4.95 120.51 114.48 1udl n ALA 14 Ca -0.09 -3.14 -0.24 0.00 0.00 0.00 0.00 53.44 49.97 1udl n ALA 14 Cb 0.26 -1.63 -0.09 0.00 0.00 0.00 0.00 19.45 17.99 1udl n ALA 14 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1udl s SER 15 N -1.51 3.92 -0.44 0.00 1.04 -1.26 -5.10 113.70 110.34 1udl s SER 15 Ca 0.60 -0.86 -0.22 0.00 0.48 0.00 0.00 55.95 55.95 1udl s SER 15 Cb 0.48 -0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.13 1udl s SER 15 CO 0.04 0.04 0.70 -2.28 0.98 0.00 0.00 173.24 172.71 1udl s HIS 16 N -2.31 3.04 -0.11 5.02 2.46 -1.26 -5.04 115.29 117.09 1udl s HIS 16 Ca 0.29 0.04 -0.05 0.00 0.47 0.00 0.00 55.06 55.81 1udl s HIS 16 Cb -0.06 -3.46 -0.04 0.00 -0.13 0.00 0.00 32.58 28.89 1udl s HIS 16 CO 0.16 -0.91 0.09 0.54 -2.47 0.00 0.00 174.74 172.15 1udl s VAL 17 N 2.99 5.04 -0.46 0.89 0.11 -1.26 -5.01 120.40 122.70 1udl s VAL 17 Ca 0.25 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1udl s VAL 17 Cb -0.13 -3.17 0.45 0.00 -1.53 0.00 0.00 36.38 32.00 1udl s VAL 17 CO 0.20 0.61 1.54 0.29 -3.33 0.00 0.00 175.10 174.42 1udl n LYS 18 N 2.05 3.22 -2.02 1.54 5.02 -1.26 -5.01 118.16 121.70 1udl n LYS 18 Ca -0.19 -3.82 -0.43 0.00 -2.02 0.00 0.00 58.31 51.84 1udl n LYS 18 Cb 0.54 -2.28 -0.03 0.00 -0.02 0.00 0.00 35.03 33.25 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 -3.70 3.77 -0.16 -0.35 2.96 -1.26 -4.84 118.68 115.09 1udl s LEU 19 Ca 0.56 1.59 0.14 0.00 -0.22 0.00 0.00 54.13 56.21 1udl s LEU 19 Cb 0.45 -3.53 0.42 0.00 0.50 0.00 0.00 46.19 44.03 1udl s LEU 19 CO -0.00 -1.43 1.21 0.00 -1.32 0.00 0.00 176.35 174.80 1udl n LEU 20 N 9.18 2.33 -1.72 -0.68 -0.00 -1.26 -4.99 117.00 119.86 1udl n LEU 20 Ca 0.21 -3.48 -0.01 0.00 -0.00 0.00 0.00 56.01 52.73 1udl n LEU 20 Cb 0.45 -0.41 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 1udl n LEU 20 CO 0.66 1.20 0.03 0.61 -0.00 0.00 0.00 177.39 179.90 1udl n GLY 21 N -0.76 -0.10 3.63 1.47 0.00 -1.26 -5.06 105.19 103.10 1udl n GLY 21 Ca 0.16 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.06 -0.59 -0.58 1.61 0.04 -1.26 -5.04 135.00 126.13 1udl s PRO 22 Ca 0.02 0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.26 1udl s PRO 22 Cb -0.00 -1.65 0.17 0.00 0.04 0.00 0.00 34.50 33.05 1udl s PRO 22 CO 0.10 -3.34 0.42 -1.54 0.04 0.00 0.00 177.00 172.68 1udl s SER 23 N -3.72 3.52 -0.29 6.66 1.04 -1.26 -5.05 113.70 114.60 1udl s SER 23 Ca 0.69 -3.47 -0.16 0.00 0.48 0.00 0.00 55.95 53.49 1udl s SER 23 Cb -0.13 -1.16 0.14 0.00 0.10 0.00 0.00 66.02 64.97 1udl s SER 23 CO 0.57 -0.13 0.96 -0.44 0.98 0.00 0.00 173.24 175.17 1udl s SER 24 N -0.76 -0.55 0.26 7.02 0.01 -1.26 -5.16 113.70 113.26 1udl s SER 24 Ca 0.27 0.86 -0.29 0.00 1.31 0.00 0.00 55.95 58.10 1udl s SER 24 Cb -0.03 1.29 -0.09 0.00 0.21 0.00 0.00 66.02 67.39 1udl s SER 24 CO -0.16 -0.13 0.94 -0.70 0.41 0.00 0.00 173.24 173.60 1udl s GLU 25 N 1.51 4.80 -0.17 12.44 2.12 -1.26 -5.05 118.70 133.09 1udl s GLU 25 Ca -0.08 1.46 -0.09 0.00 0.36 0.00 0.00 54.97 56.62 1udl s GLU 25 Cb -0.04 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 1udl s GLU 25 CO -0.16 0.47 0.12 1.03 -0.54 0.00 0.00 175.26 176.18 1udl s ARG 26 N -1.37 3.93 -0.13 4.30 0.52 -1.26 -5.09 118.95 119.86 1udl s ARG 26 Ca 0.43 -0.21 0.03 0.00 -0.52 0.00 0.00 55.73 55.46 1udl s ARG 26 Cb -0.25 -3.32 0.01 0.00 0.52 0.00 0.00 34.95 31.91 1udl s ARG 26 CO 0.30 0.44 -0.22 0.00 0.02 0.00 0.00 175.30 175.84 1udl s ALA 27 N -0.05 2.23 -0.03 2.13 0.00 -1.26 -5.12 121.76 119.65 1udl s ALA 27 Ca 0.10 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 51.08 1udl s ALA 27 Cb -0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 1udl s ALA 27 CO -0.00 0.09 -0.23 0.95 0.00 0.00 0.00 175.76 176.57 1udl s THR 28 N 0.64 1.88 -0.01 0.00 -4.23 -1.26 -5.05 115.64 107.60 1udl s THR 28 Ca -0.11 -1.00 -0.25 0.00 -1.18 0.00 0.00 61.69 59.15 1udl s THR 28 Cb -0.16 -1.57 -0.19 0.00 1.34 0.00 0.00 72.50 71.92 1udl s THR 28 CO 0.02 0.53 1.28 1.55 -0.54 0.00 0.00 174.62 177.46 1udl h PRO 29 N 5.75 0.07 -2.74 3.99 0.13 -2.08 -3.48 132.00 133.62 1udl h PRO 29 Ca -0.38 -0.04 0.08 0.00 -0.87 0.00 0.00 66.00 64.79 1udl h PRO 29 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1udl h PRO 29 CO 0.47 0.54 0.45 0.00 -0.23 0.00 0.00 178.00 179.23 1udl s ALA 30 N -4.27 -1.22 -0.17 -0.56 0.00 -1.26 -5.16 121.76 109.13 1udl s ALA 30 Ca -0.16 -0.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 1udl s ALA 30 Cb 0.02 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 1udl s ALA 30 CO 0.69 -1.03 0.16 -0.59 0.00 0.00 0.00 175.76 174.99 1udl s PHE 31 N -2.22 3.48 -0.36 0.00 -0.71 -1.26 -5.07 117.98 111.84 1udl s PHE 31 Ca 0.19 0.44 0.01 0.00 -1.04 0.00 0.00 56.93 56.53 1udl s PHE 31 Cb -0.04 -2.11 0.11 0.00 -1.21 0.00 0.00 43.02 39.77 1udl s PHE 31 CO 0.08 0.43 0.14 -1.01 -1.34 0.00 0.00 175.22 173.52 1udl s HIS 32 N -0.10 2.16 1.20 3.49 0.09 -1.26 -5.13 115.29 115.74 1udl s HIS 32 Ca 0.11 -2.19 -0.20 0.00 -0.00 0.00 0.00 55.06 52.78 1udl s HIS 32 Cb -0.12 -1.99 0.30 0.00 -0.00 0.00 0.00 32.58 30.77 1udl s HIS 32 CO 0.01 -0.86 1.06 -0.35 -0.00 0.00 0.00 174.74 174.60 1udl n PRO 33 N 4.30 -3.10 -0.06 8.40 -0.04 -1.26 -4.97 135.00 138.26 1udl n PRO 33 Ca 0.02 -1.70 -0.07 0.00 -0.04 0.00 0.00 63.50 61.72 1udl n PRO 33 Cb 0.39 -1.59 -0.09 0.00 -0.04 0.00 0.00 33.50 32.17 1udl n PRO 33 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1udl n VAL 34 N -4.81 0.82 -3.76 0.52 0.24 0.56 -4.95 118.33 106.95 1udl n VAL 34 Ca 0.15 -0.46 -0.04 0.00 -2.04 0.00 0.00 64.34 61.95 1udl n VAL 34 Cb 0.57 -0.77 -0.01 0.00 -1.47 0.00 0.00 33.84 32.16 1udl n VAL 34 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1udl s GLN 36 N -3.32 2.78 0.29 0.00 2.00 -1.26 -0.38 119.66 119.77 1udl s GLN 36 Ca 0.12 -0.88 0.02 0.00 -2.00 0.00 0.00 55.36 52.63 1udl s GLN 36 Cb -0.02 -2.24 -0.05 0.00 0.80 0.00 0.00 33.01 31.50 1udl s GLN 36 CO 0.03 0.31 0.10 0.14 -0.50 0.00 0.00 175.29 175.36 1udl s VAL 37 N 0.03 0.69 0.08 1.34 -7.23 0.10 -2.23 120.40 113.18 1udl s VAL 37 Ca -0.09 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.15 1udl s VAL 37 Cb -0.15 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 1udl s VAL 37 CO 0.06 0.00 -0.19 -0.51 -0.31 0.00 0.00 175.10 174.15 1udl s ILE 38 N -3.59 1.51 0.06 -0.62 2.07 -0.75 -2.93 121.20 116.95 1udl s ILE 38 Ca 0.36 -1.37 -0.31 0.00 -1.41 0.00 0.00 60.65 57.93 1udl s ILE 38 Cb 0.07 -1.37 -0.06 0.00 0.13 0.00 0.00 42.46 41.23 1udl s ILE 38 CO 0.15 -0.04 1.30 0.00 -1.91 0.00 0.00 174.94 174.44 1udl s ALA 39 N -1.08 3.50 -0.05 1.50 0.00 -1.22 -1.27 121.76 123.14 1udl s ALA 39 Ca 0.04 0.94 -0.13 0.00 0.00 0.00 0.00 51.96 52.81 1udl s ALA 39 Cb -0.10 -3.51 -0.31 0.00 0.00 0.00 0.00 23.12 19.21 1udl s ALA 39 CO 0.03 -0.60 0.70 0.52 0.00 0.00 0.00 175.76 176.41 1udl h MET 40 N 7.01 0.39 -4.96 0.00 2.86 -0.97 -0.76 114.93 118.50 1udl h MET 40 Ca -0.41 -0.66 -0.33 0.00 -2.06 0.00 0.00 59.70 56.24 1udl h MET 40 Cb 1.20 0.25 -0.19 0.00 0.06 0.00 0.00 31.60 32.92 1udl h MET 40 CO 0.85 1.32 -0.74 0.71 1.06 0.00 0.00 176.91 180.10 1udl s TYR 41 N -2.56 1.01 -0.53 -0.22 1.51 -1.26 -4.76 117.35 110.54 1udl s TYR 41 Ca -0.16 -0.57 -0.26 0.00 -1.01 0.00 0.00 57.07 55.07 1udl s TYR 41 Cb 0.05 -0.56 -0.08 0.00 -0.11 0.00 0.00 41.96 41.25 1udl s TYR 41 CO 0.85 -0.01 2.42 -0.40 -1.11 0.00 0.00 175.55 177.31 1udl n ASP 42 N 0.95 2.23 -4.74 2.29 5.68 -1.26 -4.17 116.55 117.53 1udl n ASP 42 Ca -0.19 -0.61 -0.40 0.00 -0.50 0.00 0.00 54.79 53.09 1udl n ASP 42 Cb 0.56 -1.59 -0.05 0.00 -1.14 0.00 0.00 41.12 38.91 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 12.51 3.66 -0.32 2.11 6.14 0.06 -4.89 117.35 136.61 1udl s TYR 43 Ca 0.98 1.32 0.03 0.00 0.64 0.00 0.00 57.07 60.04 1udl s TYR 43 Cb -0.18 -2.77 0.09 0.00 0.42 0.00 0.00 41.96 39.51 1udl s TYR 43 CO 0.24 0.21 0.01 0.00 0.64 0.00 0.00 175.55 176.66 1udl s ALA 44 N 0.29 2.82 -0.17 3.97 0.00 -1.26 -0.50 121.76 126.90 1udl s ALA 44 Ca 0.37 -2.26 -0.29 0.00 0.00 0.00 0.00 51.96 49.77 1udl s ALA 44 Cb -0.19 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1udl s ALA 44 CO 0.20 -1.53 2.02 0.00 0.00 0.00 0.00 175.76 176.44 1udl s ALA 45 N 1.00 3.03 0.60 0.00 0.00 -1.24 -4.83 121.76 120.32 1udl s ALA 45 Ca 0.04 0.80 0.30 0.00 0.00 0.00 0.00 51.96 53.10 1udl s ALA 45 Cb -0.20 -3.98 1.73 0.00 0.00 0.00 0.00 23.12 20.68 1udl s ALA 45 CO -0.06 -2.36 2.12 -2.95 0.00 0.00 0.00 175.76 172.51 1udl h ASN 46 N 13.10 0.00 -3.50 0.00 7.08 -1.93 -3.45 115.58 126.88 1udl h ASN 46 Ca -0.41 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 52.63 1udl h ASN 46 Cb 1.22 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.42 1udl h ASN 46 CO 0.97 0.00 0.01 -0.46 -2.08 0.00 0.00 177.43 175.87 1udl n ASN 47 N -3.68 -1.61 -0.07 6.14 0.23 -1.26 -5.04 115.26 109.96 1udl n ASN 47 Ca 0.01 -2.69 0.02 0.00 -0.53 0.00 0.00 54.58 51.39 1udl n ASN 47 Cb 0.29 2.85 0.35 0.00 -2.08 0.00 0.00 39.78 41.20 1udl n ASN 47 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1udl h GLU 48 N 0.00 0.69 -0.95 -3.83 4.11 -2.02 -2.28 114.58 110.30 1udl h GLU 48 Ca -0.28 -0.05 0.20 0.00 0.07 0.00 0.00 59.36 59.30 1udl h GLU 48 Cb 1.14 -0.15 -0.11 0.00 0.50 0.00 0.00 28.75 30.13 1udl h GLU 48 CO 0.37 0.48 0.52 -0.44 0.07 0.00 0.00 179.01 180.01 1udl h ASP 49 N 0.71 0.60 -2.34 3.06 5.19 -1.96 -3.42 116.42 118.27 1udl h ASP 49 Ca 0.19 0.12 -0.45 0.00 -0.62 0.00 0.00 57.03 56.26 1udl h ASP 49 Cb -0.05 0.02 0.06 0.00 0.18 0.00 0.00 39.33 39.55 1udl h ASP 49 CO -0.04 0.16 0.04 -1.61 -3.12 0.00 0.00 179.24 174.68 1udl s GLU 50 N -5.87 2.12 -0.18 3.56 2.02 -0.86 -2.98 118.70 116.51 1udl s GLU 50 Ca -0.11 -0.94 -0.03 0.00 0.02 0.00 0.00 54.97 53.91 1udl s GLU 50 Cb 0.25 -2.41 -0.01 0.00 0.10 0.00 0.00 34.13 32.06 1udl s GLU 50 CO 0.79 -1.08 -0.07 -1.17 0.02 0.00 0.00 175.26 173.75 1udl s LEU 51 N -4.96 2.91 -0.36 1.80 0.20 -0.86 -4.35 118.68 113.07 1udl s LEU 51 Ca 0.62 -0.31 -0.17 0.00 0.69 0.00 0.00 54.13 54.95 1udl s LEU 51 Cb -0.08 -1.71 -0.00 0.00 -0.43 0.00 0.00 46.19 43.97 1udl s LEU 51 CO 0.41 0.08 0.47 -0.94 -0.29 0.00 0.00 176.35 176.09 1udl s SER 52 N 0.86 6.27 0.23 3.68 1.04 -1.26 -3.66 113.70 120.85 1udl s SER 52 Ca -0.02 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.23 1udl s SER 52 Cb -0.15 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 1udl s SER 52 CO 0.01 -0.47 0.26 0.72 0.98 0.00 0.00 173.24 174.74 1udl s PHE 53 N 2.30 0.95 0.36 5.02 -0.12 0.34 -4.89 117.98 121.94 1udl s PHE 53 Ca 0.17 -1.20 0.08 0.00 -0.05 0.00 0.00 56.93 55.93 1udl s PHE 53 Cb -0.16 -0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 41.86 1udl s PHE 53 CO 0.13 -0.78 0.09 -1.12 -0.05 0.00 0.00 175.22 173.49 1udl s SER 54 N -3.13 4.37 0.00 1.98 0.01 -1.26 -0.76 113.70 114.90 1udl s SER 54 Ca 0.34 -0.97 -0.33 0.00 1.31 0.00 0.00 55.95 56.30 1udl s SER 54 Cb 0.04 -0.57 -0.12 0.00 0.21 0.00 0.00 66.02 65.59 1udl s SER 54 CO 0.12 -0.34 1.83 1.17 0.41 0.00 0.00 173.24 176.43 1udl n LYS 55 N -1.08 2.33 -1.28 12.44 4.81 -1.26 -2.08 118.16 132.04 1udl n LYS 55 Ca -0.03 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1udl n LYS 55 Cb 0.63 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.97 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 4.21 1.01 3.92 3.14 0.00 -0.29 -4.95 105.19 112.23 1udl n GLY 56 Ca 0.21 -0.49 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.84 3.56 -0.52 1.61 2.00 -0.88 -4.84 119.66 117.75 1udl s GLN 57 Ca 0.00 -0.03 -0.27 0.00 -2.00 0.00 0.00 55.36 53.06 1udl s GLN 57 Cb 0.00 -2.56 0.03 0.00 0.80 0.00 0.00 33.01 31.29 1udl s GLN 57 CO 0.00 0.05 1.08 -1.17 -0.50 0.00 0.00 175.29 174.75 1udl s LEU 58 N -4.19 3.73 -0.13 3.68 2.96 -1.26 -3.40 118.68 120.07 1udl s LEU 58 Ca 0.44 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 1udl s LEU 58 Cb -0.10 -3.23 0.02 0.00 0.50 0.00 0.00 46.19 43.38 1udl s LEU 58 CO 0.37 -1.28 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.35 1udl s ILE 59 N 4.39 1.44 -0.40 6.68 1.01 -1.15 -3.99 121.20 129.18 1udl s ILE 59 Ca 0.41 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.45 1udl s ILE 59 Cb -0.09 -1.35 0.10 0.00 0.01 0.00 0.00 42.46 41.13 1udl s ILE 59 CO 0.26 0.43 0.19 0.21 0.00 0.00 0.00 174.94 176.04 1udl s ASN 60 N 1.34 5.28 -0.06 3.58 3.04 -1.19 -0.72 114.94 126.21 1udl s ASN 60 Ca 0.01 -1.82 -0.32 0.00 0.04 0.00 0.00 52.86 50.76 1udl s ASN 60 Cb -0.14 -1.84 -0.10 0.00 -1.54 0.00 0.00 41.25 37.63 1udl s ASN 60 CO -0.07 -0.50 1.96 0.52 -3.04 0.00 0.00 177.10 175.96 1udl n VAL 61 N 4.66 0.63 -0.11 -5.21 0.31 0.48 -3.11 118.33 115.98 1udl n VAL 61 Ca -0.05 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 63.99 1udl n VAL 61 Cb 0.42 -2.09 -0.13 0.00 -0.91 0.00 0.00 33.84 31.13 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 7.21 0.72 -3.44 5.55 0.00 0.90 -0.32 117.12 127.73 1udl n MET 62 Ca 0.23 0.08 -0.18 0.00 0.00 0.00 0.00 57.70 57.83 1udl n MET 62 Cb 0.35 -1.49 -0.11 0.00 0.00 0.00 0.00 33.22 31.96 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 -5.95 1.56 -0.62 7.83 3.84 -1.24 -4.13 114.94 116.23 1udl s ASN 63 Ca -0.23 -0.49 0.01 0.00 0.21 0.00 0.00 52.86 52.35 1udl s ASN 63 Cb 0.07 0.45 0.42 0.00 -0.55 0.00 0.00 41.25 41.64 1udl s ASN 63 CO 0.66 -0.36 1.76 2.29 -2.79 0.00 0.00 177.10 178.66 1udl n LYS 64 N 5.31 2.97 0.26 0.43 2.85 -1.26 -2.91 118.16 125.82 1udl n LYS 64 Ca -0.04 -3.68 0.09 0.00 -1.05 0.00 0.00 58.31 53.63 1udl n LYS 64 Cb 0.48 -2.28 0.66 0.00 -0.65 0.00 0.00 35.03 33.24 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 2.40 0.00 -3.81 -5.58 3.04 -1.96 -3.39 116.42 107.12 1udl h ASP 65 Ca 0.51 0.00 -0.63 0.00 -3.24 0.00 0.00 57.03 53.67 1udl h ASP 65 Cb 0.72 0.00 -0.16 0.00 -1.04 0.00 0.00 39.33 38.86 1udl h ASP 65 CO 1.30 0.03 -0.38 -0.62 -2.04 0.00 0.00 179.24 177.53 1udl s ASP 66 N -6.90 6.14 0.00 4.15 2.15 -1.25 -4.94 116.67 116.01 1udl s ASP 66 Ca -0.05 0.14 0.11 0.00 0.43 0.00 0.00 52.55 53.18 1udl s ASP 66 Cb 0.16 -2.16 0.66 0.00 -0.30 0.00 0.00 42.92 41.28 1udl s ASP 66 CO 0.65 -0.11 1.10 -0.81 -0.17 0.00 0.00 175.17 175.83 1udl n PRO 67 N 5.18 0.49 -0.03 4.34 -0.04 -1.26 -2.80 135.00 140.88 1udl n PRO 67 Ca -0.11 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.31 1udl n PRO 67 Cb 0.51 -1.36 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.86 3.66 -4.15 3.54 8.00 -1.26 -4.87 116.55 120.62 1udl n ASP 68 Ca 0.08 -0.02 -0.24 0.00 0.71 0.00 0.00 54.79 55.32 1udl n ASP 68 Cb 0.04 0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 41.02 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 -2.10 1.46 0.25 1.24 0.52 -1.12 -0.24 118.94 118.94 1udl s TRP 69 Ca -0.06 -0.28 0.10 0.00 0.02 0.00 0.00 56.10 55.88 1udl s TRP 69 Cb 0.02 -0.93 -0.05 0.00 -1.15 0.00 0.00 33.47 31.35 1udl s TRP 69 CO 0.13 -0.02 -0.17 -1.58 0.02 0.00 0.00 176.95 175.33 1udl s TRP 70 N -0.41 2.04 -0.17 -1.98 0.51 0.62 -3.84 118.94 115.71 1udl s TRP 70 Ca 0.06 -0.45 -0.01 0.00 -2.12 0.00 0.00 56.10 53.58 1udl s TRP 70 Cb -0.06 -0.93 -0.01 0.00 -0.81 0.00 0.00 33.47 31.66 1udl s TRP 70 CO -0.00 0.55 -0.11 -1.14 -0.51 0.00 0.00 176.95 175.73 1udl s GLN 71 N -3.58 3.31 0.28 4.98 0.74 -1.15 -2.64 119.66 121.61 1udl s GLN 71 Ca 0.27 -0.69 0.02 0.00 0.05 0.00 0.00 55.36 55.01 1udl s GLN 71 Cb -0.03 -2.74 -0.05 0.00 1.10 0.00 0.00 33.01 31.30 1udl s GLN 71 CO 0.12 0.01 0.11 0.20 -0.55 0.00 0.00 175.29 175.17 1udl s GLY 72 N 0.88 1.90 0.00 2.59 0.00 -1.26 -0.07 107.32 111.36 1udl s GLY 72 Ca -0.03 -1.82 0.08 0.00 0.00 0.00 0.00 44.72 42.95 1udl s GLY 72 CO -0.00 -1.62 -0.26 -1.83 0.00 0.00 0.00 173.10 169.39 1udl s GLU 73 N -3.95 1.96 -0.28 2.90 -1.05 -1.18 -3.54 118.70 113.55 1udl s GLU 73 Ca 0.36 -0.98 -0.02 0.00 -0.15 0.00 0.00 54.97 54.18 1udl s GLU 73 Cb 0.07 -1.98 0.09 0.00 -0.44 0.00 0.00 34.13 31.87 1udl s GLU 73 CO 0.15 0.53 0.10 0.42 0.95 0.00 0.00 175.26 177.41 1udl s ILE 74 N -0.67 0.51 -0.93 1.83 1.01 0.13 -3.16 121.20 119.91 1udl s ILE 74 Ca 0.10 -1.04 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1udl s ILE 74 Cb -0.10 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1udl s ILE 74 CO 0.00 -0.61 0.77 0.59 0.00 0.00 0.00 174.94 175.70 1udl n ASN 75 N 5.01 -2.08 0.00 3.58 3.02 -1.26 -2.25 115.26 121.28 1udl n ASN 75 Ca -0.04 -0.48 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 1udl n ASN 75 Cb 0.43 -4.08 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 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 0.42 3.76 7.41 0.00 -1.26 -4.99 105.19 109.42 1udl n GLY 76 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.09 4.57 0.10 1.61 0.11 -0.95 -5.12 120.40 118.62 1udl s VAL 77 Ca 0.00 -0.49 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 1udl s VAL 77 Cb 0.00 -3.09 -0.03 0.00 -1.53 0.00 0.00 36.38 31.73 1udl s VAL 77 CO 0.00 0.33 -0.21 0.42 -3.33 0.00 0.00 175.10 172.31 1udl s THR 78 N -1.19 1.72 0.00 5.04 -4.23 -1.26 0.21 115.64 115.93 1udl s THR 78 Ca 0.23 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1udl s THR 78 Cb -0.12 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1udl s THR 78 CO 0.14 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1udl n GLY 79 N 1.17 3.05 2.82 3.99 0.00 -1.23 -4.90 105.19 110.08 1udl n GLY 79 Ca -0.19 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.27 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 1.40 0.04 0.99 1.43 -1.16 -4.42 118.68 116.97 1udl s LEU 80 Ca 0.00 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 52.96 1udl s LEU 80 Cb 0.00 -0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.15 1udl s LEU 80 CO 0.00 -0.08 0.33 0.72 0.23 0.00 0.00 176.35 177.56 1udl s PHE 81 N 0.70 -0.15 0.51 0.29 -0.12 -1.08 -2.03 117.98 116.09 1udl s PHE 81 Ca -0.06 0.06 -0.21 0.00 -0.05 0.00 0.00 56.93 56.67 1udl s PHE 81 Cb -0.09 0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 42.37 1udl s PHE 81 CO -0.02 -0.52 1.14 -1.25 -0.05 0.00 0.00 175.22 174.53 1udl s PRO 82 N -2.46 3.51 0.00 1.99 0.04 -1.26 -0.28 135.00 136.54 1udl s PRO 82 Ca -0.05 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1udl s PRO 82 Cb -0.01 -2.16 0.12 0.00 0.04 0.00 0.00 34.50 32.50 1udl s PRO 82 CO -0.03 -0.73 0.99 0.43 0.04 0.00 0.00 177.00 177.70 1udl n SER 83 N -0.98 0.00 -0.01 6.66 7.64 0.66 -2.68 113.62 124.91 1udl n SER 83 Ca 0.10 -1.74 0.08 0.00 1.01 0.00 0.00 58.87 58.32 1udl n SER 83 Cb 0.50 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.58 1udl n SER 83 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1udl n ASN 84 N -0.54 1.22 -0.60 6.43 3.02 -1.26 -4.31 115.26 119.22 1udl n ASN 84 Ca 0.02 -0.17 0.11 0.00 -0.03 0.00 0.00 54.58 54.51 1udl n ASN 84 Cb 0.01 1.59 0.39 0.00 -0.61 0.00 0.00 39.78 41.15 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 -1.92 0.18 -4.16 3.10 4.02 -1.09 -4.87 117.16 112.41 1udl n TYR 85 Ca -0.02 -0.09 -0.17 0.00 -0.01 0.00 0.00 57.90 57.61 1udl n TYR 85 Cb 0.38 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 39.59 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 -1.82 1.02 -0.06 -0.72 -7.23 -1.26 -0.26 120.40 110.08 1udl s VAL 86 Ca 0.34 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 1udl s VAL 86 Cb 0.19 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 36.06 1udl s VAL 86 CO 0.28 -0.32 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.94 1udl s LYS 87 N -1.96 1.09 -0.34 4.82 2.20 -0.40 -4.90 119.74 120.25 1udl s LYS 87 Ca -0.01 -0.19 -0.39 0.00 -0.36 0.00 0.00 55.97 55.02 1udl s LYS 87 Cb -0.08 -1.04 -0.15 0.00 -1.51 0.00 0.00 37.83 35.05 1udl s LYS 87 CO 0.02 -0.07 1.95 -1.33 -0.36 0.00 0.00 175.35 175.56 1udl n MET 88 N 4.09 0.91 -0.24 4.03 2.81 -1.26 -1.80 117.12 125.66 1udl n MET 88 Ca -0.23 0.30 0.04 0.00 -1.81 0.00 0.00 57.70 56.00 1udl n MET 88 Cb 0.51 -2.11 0.16 0.00 -0.71 0.00 0.00 33.22 31.07 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 6.12 0.68 -4.56 2.03 1.35 -1.75 -3.46 112.91 113.32 1udl h THR 89 Ca -0.34 -0.14 -0.35 0.00 -0.55 0.00 0.00 66.41 65.02 1udl h THR 89 Cb 1.34 0.22 -0.02 0.00 -1.73 0.00 0.00 68.15 67.96 1udl h THR 89 CO 1.00 0.08 -0.50 0.35 -0.25 0.00 0.00 175.52 176.19 1udl n THR 90 N -5.01 -1.16 -3.52 6.82 -2.24 -1.26 -4.92 114.28 102.99 1udl n THR 90 Ca 0.13 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1udl n THR 90 Cb 0.38 -2.34 -0.03 0.00 -2.10 0.00 0.00 70.33 66.23 1udl n THR 90 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1udl s ASP 91 N -2.48 -0.38 -0.30 3.42 2.15 -1.26 -5.14 116.67 112.68 1udl s ASP 91 Ca 0.23 0.10 -0.05 0.00 0.43 0.00 0.00 52.55 53.26 1udl s ASP 91 Cb -0.12 0.37 0.03 0.00 -0.30 0.00 0.00 42.92 42.90 1udl s ASP 91 CO 0.29 -0.57 0.06 -0.55 -0.17 0.00 0.00 175.17 174.23 1udl s SER 92 N -2.18 5.04 0.66 -0.34 0.15 -1.26 -5.07 113.70 110.71 1udl s SER 92 Ca 0.03 -0.93 -0.17 0.00 0.70 0.00 0.00 55.95 55.58 1udl s SER 92 Cb -0.01 -1.83 -0.11 0.00 -1.71 0.00 0.00 66.02 62.37 1udl s SER 92 CO -0.06 -0.23 0.05 -0.24 1.20 0.00 0.00 173.24 173.96 1udl n SER 93 N 4.80 -2.95 0.00 5.45 2.88 -1.26 -4.41 113.62 118.13 1udl n SER 93 Ca -0.14 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1udl n SER 93 Cb 0.46 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1udl n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1udl n GLY 94 N 2.30 2.23 3.74 0.46 0.00 -1.26 -4.42 105.19 108.25 1udl n GLY 94 Ca 0.07 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 4.41 0.31 1.61 0.04 -1.26 -4.97 135.00 135.13 1udl s PRO 95 Ca 0.00 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.80 1udl s PRO 95 Cb 0.00 -3.18 -0.11 0.00 0.04 0.00 0.00 34.50 31.26 1udl s PRO 95 CO 0.00 -0.20 1.47 0.45 0.04 0.00 0.00 177.00 178.76 1udl s SER 96 N 0.11 6.53 0.27 6.66 0.15 -1.26 -4.88 113.70 121.28 1udl s SER 96 Ca 0.54 2.84 -0.30 0.00 0.70 0.00 0.00 55.95 59.73 1udl s SER 96 Cb -0.36 -2.64 -0.11 0.00 -1.71 0.00 0.00 66.02 61.19 1udl s SER 96 CO 0.40 -0.77 1.61 -0.55 1.20 0.00 0.00 173.24 175.14 1udl s SER 97 N 0.12 6.40 0.00 5.45 0.15 -1.26 -5.10 113.70 119.46 1udl s SER 97 Ca 0.57 2.91 0.00 0.00 0.70 0.00 0.00 55.95 60.13 1udl s SER 97 Cb -0.44 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.24 1udl s SER 97 CO 0.51 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.65