#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 -3.23 -4.62 1.61 3.41 -1.26 -4.82 113.62 104.71 1udl n SER 2 Ca 0.00 0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 58.40 1udl n SER 2 Cb 0.00 -1.03 -0.01 0.00 -0.26 0.00 0.00 64.21 62.91 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 0.15 1.65 -4.56 4.04 2.88 -1.26 -4.85 113.62 111.68 1udl n SER 3 Ca 0.03 1.15 -0.39 0.00 -1.33 0.00 0.00 58.87 58.33 1udl n SER 3 Cb 0.56 -1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 62.64 1udl n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1udl s GLY 4 N -0.54 1.09 0.16 0.46 0.00 -1.26 -4.98 107.32 102.25 1udl s GLY 4 Ca 0.59 -2.07 0.03 0.00 0.00 0.00 0.00 44.72 43.27 1udl s GLY 4 CO 0.60 2.78 0.24 -0.45 0.00 0.00 0.00 173.10 176.27 1udl s SER 5 N 5.22 6.08 -0.10 1.64 0.15 -1.26 -5.11 113.70 120.31 1udl s SER 5 Ca 0.48 0.07 -0.31 0.00 0.70 0.00 0.00 55.95 56.89 1udl s SER 5 Cb -0.02 -1.76 0.12 0.00 -1.71 0.00 0.00 66.02 62.65 1udl s SER 5 CO -0.06 0.05 1.03 -0.55 1.20 0.00 0.00 173.24 174.91 1udl s SER 6 N -3.21 -0.28 -0.72 5.45 0.15 -1.26 -5.06 113.70 108.77 1udl s SER 6 Ca 0.33 0.08 -0.24 0.00 0.70 0.00 0.00 55.95 56.82 1udl s SER 6 Cb -0.11 0.28 -0.19 0.00 -1.71 0.00 0.00 66.02 64.30 1udl s SER 6 CO 0.27 -0.42 1.88 0.61 1.20 0.00 0.00 173.24 176.77 1udl n GLY 7 N 0.02 1.88 3.70 9.45 0.00 -1.26 -4.90 105.19 114.08 1udl n GLY 7 Ca -0.06 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 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 5.68 4.46 0.74 1.61 -1.52 -1.26 -5.03 119.66 124.34 1udl s GLN 8 Ca 0.62 1.53 -0.11 0.00 -1.95 0.00 0.00 55.36 55.44 1udl s GLN 8 Cb 0.11 -3.48 0.04 0.00 -0.22 0.00 0.00 33.01 29.46 1udl s GLN 8 CO 0.16 -0.24 1.08 0.15 -0.25 0.00 0.00 175.29 176.19 1udl s LYS 9 N 1.53 2.53 -0.24 2.91 1.02 -1.26 -5.01 119.74 121.23 1udl s LYS 9 Ca 0.53 0.80 0.03 0.00 0.02 0.00 0.00 55.97 57.36 1udl s LYS 9 Cb -0.22 -1.96 0.12 0.00 -0.52 0.00 0.00 37.83 35.25 1udl s LYS 9 CO 0.24 -1.35 0.99 0.41 -0.92 0.00 0.00 175.35 174.73 1udl n GLY 10 N -2.04 -0.27 3.14 -3.33 0.00 -1.26 -5.14 105.19 96.29 1udl n GLY 10 Ca 0.07 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 0.05 2.53 -0.39 1.61 -0.11 -1.26 -5.01 118.94 116.36 1udl s TRP 11 Ca 0.05 -1.28 0.01 0.00 1.22 0.00 0.00 56.10 56.10 1udl s TRP 11 Cb 0.12 -1.74 0.11 0.00 -1.50 0.00 0.00 33.47 30.46 1udl s TRP 11 CO -0.03 -0.60 0.14 -0.06 -4.62 0.00 0.00 176.95 171.78 1udl s PHE 12 N 0.89 3.65 1.13 5.86 0.08 -1.26 -5.11 117.98 123.22 1udl s PHE 12 Ca -0.06 -2.76 -0.17 0.00 0.12 0.00 0.00 56.93 54.06 1udl s PHE 12 Cb -0.15 -3.06 0.25 0.00 -0.57 0.00 0.00 43.02 39.49 1udl s PHE 12 CO -0.03 -0.94 1.10 -1.25 -0.10 0.00 0.00 175.22 174.00 1udl s PRO 13 N 0.89 -0.65 -0.38 0.24 0.04 -1.26 -4.98 135.00 128.90 1udl s PRO 13 Ca 0.10 0.15 0.06 0.00 0.04 0.00 0.00 61.00 61.35 1udl s PRO 13 Cb -0.21 -1.64 0.50 0.00 0.04 0.00 0.00 34.50 33.19 1udl s PRO 13 CO -0.06 -3.37 1.56 0.00 0.04 0.00 0.00 177.00 175.16 1udl n ALA 14 N -4.56 4.98 -2.65 8.56 0.00 -1.26 -5.00 120.51 120.58 1udl n ALA 14 Ca 0.10 -3.33 -0.23 0.00 0.00 0.00 0.00 53.44 49.98 1udl n ALA 14 Cb 0.59 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 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 -2.52 4.57 -0.20 0.00 0.01 -1.26 -5.12 113.70 109.17 1udl s SER 15 Ca 0.51 -0.62 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 1udl s SER 15 Cb 0.43 -0.86 -0.00 0.00 0.21 0.00 0.00 66.02 65.80 1udl s SER 15 CO 0.01 0.01 -0.10 -2.28 0.41 0.00 0.00 173.24 171.30 1udl s HIS 16 N -2.25 2.89 0.08 2.43 2.46 -1.26 -5.11 115.29 114.53 1udl s HIS 16 Ca 0.31 -1.10 0.08 0.00 0.47 0.00 0.00 55.06 54.82 1udl s HIS 16 Cb -0.07 -2.03 -0.03 0.00 -0.13 0.00 0.00 32.58 30.32 1udl s HIS 16 CO 0.20 -0.59 -0.22 0.14 -2.47 0.00 0.00 174.74 171.80 1udl s VAL 17 N 1.31 1.82 -0.23 0.89 -7.23 -1.26 -5.04 120.40 110.66 1udl s VAL 17 Ca 0.04 -1.43 0.17 0.00 -1.81 0.00 0.00 61.98 58.95 1udl s VAL 17 Cb -0.14 -1.61 0.48 0.00 0.56 0.00 0.00 36.38 35.66 1udl s VAL 17 CO -0.05 0.11 1.15 2.29 -0.31 0.00 0.00 175.10 178.29 1udl n LYS 18 N 1.42 2.05 -5.02 4.82 -0.00 -1.26 -5.07 118.16 115.11 1udl n LYS 18 Ca -0.18 -3.48 -0.31 0.00 -0.00 0.00 0.00 58.31 54.34 1udl n LYS 18 Cb 0.53 -1.59 -0.15 0.00 -0.00 0.00 0.00 35.03 33.82 1udl n LYS 18 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1udl s LEU 19 N -3.16 2.28 -0.08 -5.58 2.34 -1.26 -5.02 118.68 108.19 1udl s LEU 19 Ca 0.36 -0.46 0.18 0.00 0.06 0.00 0.00 54.13 54.28 1udl s LEU 19 Cb 0.36 -1.39 0.39 0.00 -0.56 0.00 0.00 46.19 44.99 1udl s LEU 19 CO -0.04 0.29 1.17 0.00 -1.06 0.00 0.00 176.35 176.72 1udl n LEU 20 N 2.07 1.61 -4.76 1.48 -0.00 -1.26 -5.08 117.00 111.05 1udl n LEU 20 Ca -0.16 -2.67 -0.39 0.00 -0.00 0.00 0.00 56.01 52.79 1udl n LEU 20 Cb 0.52 -0.21 -0.05 0.00 -0.00 0.00 0.00 43.42 43.67 1udl n LEU 20 CO 0.24 0.82 0.70 -0.83 -0.00 0.00 0.00 177.39 178.32 1udl s GLY 21 N -2.42 2.97 0.06 1.47 0.00 -1.26 -5.00 107.32 103.14 1udl s GLY 21 Ca 0.33 0.69 -0.31 0.00 0.00 0.00 0.00 44.72 45.43 1udl s GLY 21 CO -0.11 1.21 1.40 2.56 0.00 0.00 0.00 173.10 178.17 1udl s PRO 22 N -1.66 4.30 -0.16 2.90 0.04 -1.26 -4.95 135.00 134.21 1udl s PRO 22 Ca 0.47 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.30 1udl s PRO 22 Cb -0.25 -3.42 -0.21 0.00 0.04 0.00 0.00 34.50 30.66 1udl s PRO 22 CO 0.32 -0.51 0.48 1.03 0.04 0.00 0.00 177.00 178.36 1udl h SER 23 N 7.36 0.00 -6.31 6.66 0.87 -2.04 -3.48 113.55 116.61 1udl h SER 23 Ca -0.40 -0.71 -0.47 0.00 -1.23 0.00 0.00 61.79 58.98 1udl h SER 23 Cb 1.20 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 1udl h SER 23 CO 0.88 1.13 -0.79 -0.24 -0.53 0.00 0.00 176.83 177.28 1udl n SER 24 N -4.56 -3.39 -4.90 6.23 2.88 -1.26 -4.96 113.62 103.65 1udl n SER 24 Ca -0.17 -0.83 -0.30 0.00 -1.33 0.00 0.00 58.87 56.23 1udl n SER 24 Cb 0.51 -3.75 -0.04 0.00 -0.75 0.00 0.00 64.21 60.18 1udl n SER 24 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1udl s GLU 25 N -6.49 3.60 0.00 -1.46 0.41 -1.26 -5.06 118.70 108.45 1udl s GLU 25 Ca 0.45 -0.12 -0.30 0.00 -0.41 0.00 0.00 54.97 54.59 1udl s GLU 25 Cb -0.23 -2.82 -0.04 0.00 -1.78 0.00 0.00 34.13 29.25 1udl s GLU 25 CO 0.84 0.43 1.15 1.03 -0.49 0.00 0.00 175.26 178.22 1udl s ARG 26 N -2.87 4.42 -0.26 1.61 0.52 -1.26 -5.02 118.95 116.10 1udl s ARG 26 Ca 0.41 1.66 -0.09 0.00 -0.52 0.00 0.00 55.73 57.19 1udl s ARG 26 Cb -0.12 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1udl s ARG 26 CO 0.26 -0.29 0.11 0.00 0.02 0.00 0.00 175.30 175.40 1udl s ALA 27 N 1.50 3.31 0.09 2.13 0.00 -1.26 -5.09 121.76 122.44 1udl s ALA 27 Ca 0.56 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 51.28 1udl s ALA 27 Cb -0.26 -2.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.59 1udl s ALA 27 CO 0.26 -0.46 0.50 0.95 0.00 0.00 0.00 175.76 177.01 1udl s THR 28 N 1.58 4.90 -0.15 0.00 -4.23 -1.26 -4.97 115.64 111.51 1udl s THR 28 Ca 0.06 0.85 0.29 0.00 -1.18 0.00 0.00 61.69 61.72 1udl s THR 28 Cb -0.15 -3.75 0.33 0.00 1.34 0.00 0.00 72.50 70.26 1udl s THR 28 CO 0.06 0.38 1.87 1.55 -0.54 0.00 0.00 174.62 177.94 1udl h PRO 29 N 4.01 0.00 -7.00 3.99 0.13 -2.07 -3.44 132.00 127.62 1udl h PRO 29 Ca -0.49 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.17 1udl h PRO 29 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1udl h PRO 29 CO 0.64 0.00 0.37 0.00 -0.23 0.00 0.00 178.00 178.78 1udl s ALA 30 N -3.52 3.05 0.00 -0.56 0.00 -1.26 -5.07 121.76 114.41 1udl s ALA 30 Ca 0.02 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.61 1udl s ALA 30 Cb 0.09 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 1udl s ALA 30 CO 0.47 -0.04 -0.24 -0.59 0.00 0.00 0.00 175.76 175.36 1udl s PHE 31 N -1.89 2.14 -0.28 0.00 -0.71 -1.26 -5.11 117.98 110.86 1udl s PHE 31 Ca 0.60 -0.40 -0.00 0.00 -1.04 0.00 0.00 56.93 56.08 1udl s PHE 31 Cb -0.16 -1.34 0.09 0.00 -1.21 0.00 0.00 43.02 40.40 1udl s PHE 31 CO 0.20 0.02 0.05 -3.38 -1.34 0.00 0.00 175.22 170.77 1udl s HIS 32 N -0.65 1.97 1.00 3.49 -3.43 -1.26 -5.13 115.29 111.28 1udl s HIS 32 Ca 0.10 -1.75 -0.12 0.00 -0.80 0.00 0.00 55.06 52.48 1udl s HIS 32 Cb -0.09 -1.72 0.19 0.00 -1.43 0.00 0.00 32.58 29.52 1udl s HIS 32 CO 0.00 -0.82 1.09 -1.25 -2.00 0.00 0.00 174.74 171.76 1udl s PRO 33 N 1.53 0.44 -0.15 -0.38 0.04 -1.26 -4.93 135.00 130.28 1udl s PRO 33 Ca 0.05 0.54 0.10 0.00 0.04 0.00 0.00 61.00 61.73 1udl s PRO 33 Cb -0.18 -1.74 -0.23 0.00 0.04 0.00 0.00 34.50 32.39 1udl s PRO 33 CO -0.17 -2.73 0.23 1.33 0.04 0.00 0.00 177.00 175.70 1udl n VAL 34 N -4.18 1.53 -3.66 -0.36 0.24 0.55 -4.96 118.33 107.49 1udl n VAL 34 Ca 0.05 -0.76 -0.03 0.00 -2.04 0.00 0.00 64.34 61.57 1udl n VAL 34 Cb 0.57 -0.98 0.01 0.00 -1.47 0.00 0.00 33.84 31.97 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 -2.04 2.07 0.36 0.00 0.74 -1.26 -2.34 119.66 117.19 1udl s GLN 36 Ca 0.13 -0.50 0.09 0.00 0.05 0.00 0.00 55.36 55.13 1udl s GLN 36 Cb -0.02 -1.81 -0.07 0.00 1.10 0.00 0.00 33.01 32.22 1udl s GLN 36 CO 0.04 -0.10 -0.06 0.14 -0.55 0.00 0.00 175.29 174.76 1udl s VAL 37 N 1.09 2.24 0.04 1.34 -7.23 -0.66 -1.44 120.40 115.79 1udl s VAL 37 Ca -0.05 -2.14 0.09 0.00 -1.81 0.00 0.00 61.98 58.07 1udl s VAL 37 Cb -0.14 -2.73 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1udl s VAL 37 CO -0.03 -0.16 -0.25 -0.51 -0.31 0.00 0.00 175.10 173.84 1udl s ILE 38 N -2.62 2.04 -0.04 -0.62 2.07 -0.84 -3.36 121.20 117.83 1udl s ILE 38 Ca 0.33 -1.33 -0.30 0.00 -1.41 0.00 0.00 60.65 57.94 1udl s ILE 38 Cb 0.04 -1.74 -0.04 0.00 0.13 0.00 0.00 42.46 40.84 1udl s ILE 38 CO 0.17 0.35 1.30 0.00 -1.91 0.00 0.00 174.94 174.85 1udl s ALA 39 N -0.79 3.55 0.05 1.50 0.00 -1.25 -0.59 121.76 124.23 1udl s ALA 39 Ca 0.11 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 1udl s ALA 39 Cb -0.10 -3.56 -0.31 0.00 0.00 0.00 0.00 23.12 19.15 1udl s ALA 39 CO 0.02 -0.88 1.07 0.52 0.00 0.00 0.00 175.76 176.50 1udl h MET 40 N 7.73 0.57 -4.97 0.00 0.00 -1.30 -0.04 114.93 116.92 1udl h MET 40 Ca -0.35 -0.84 -0.31 0.00 0.00 0.00 0.00 59.70 58.19 1udl h MET 40 Cb 1.16 0.29 -0.17 0.00 0.00 0.00 0.00 31.60 32.89 1udl h MET 40 CO 0.90 1.39 -0.73 0.71 0.00 0.00 0.00 176.91 179.18 1udl s TYR 41 N -2.83 1.10 -0.48 -0.22 1.51 -1.26 -4.79 117.35 110.37 1udl s TYR 41 Ca -0.09 -0.70 -0.27 0.00 -1.01 0.00 0.00 57.07 55.01 1udl s TYR 41 Cb 0.05 -0.59 -0.05 0.00 -0.11 0.00 0.00 41.96 41.26 1udl s TYR 41 CO 0.94 0.01 2.17 0.16 -1.11 0.00 0.00 175.55 177.72 1udl s ASP 42 N -2.66 4.92 -0.07 2.29 -4.77 -1.26 -3.90 116.67 111.21 1udl s ASP 42 Ca 0.09 0.97 -0.17 0.00 -3.30 0.00 0.00 52.55 50.14 1udl s ASP 42 Cb -0.01 -2.51 -0.05 0.00 -1.09 0.00 0.00 42.92 39.26 1udl s ASP 42 CO -0.00 -2.53 0.47 -0.47 0.70 0.00 0.00 175.17 173.33 1udl s TYR 43 N 10.41 3.60 -0.33 2.11 6.14 0.30 -4.87 117.35 134.70 1udl s TYR 43 Ca 0.87 0.96 0.01 0.00 0.64 0.00 0.00 57.07 59.55 1udl s TYR 43 Cb -0.18 -2.48 0.10 0.00 0.42 0.00 0.00 41.96 39.83 1udl s TYR 43 CO 0.26 0.34 0.09 0.00 0.64 0.00 0.00 175.55 176.88 1udl s ALA 44 N -0.01 2.03 -0.54 3.97 0.00 -1.26 0.13 121.76 126.07 1udl s ALA 44 Ca 0.26 -2.02 -0.38 0.00 0.00 0.00 0.00 51.96 49.82 1udl s ALA 44 Cb -0.16 -1.76 -0.18 0.00 0.00 0.00 0.00 23.12 21.03 1udl s ALA 44 CO 0.12 -1.70 2.04 0.00 0.00 0.00 0.00 175.76 176.22 1udl n ALA 45 N 4.55 0.21 0.19 0.00 0.00 -1.19 -4.71 120.51 119.58 1udl n ALA 45 Ca 0.01 0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1udl n ALA 45 Cb 0.41 -1.92 0.66 0.00 0.00 0.00 0.00 19.45 18.61 1udl n ALA 45 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1udl h ASN 46 N 8.69 0.00 -4.05 0.00 2.35 -1.90 -3.44 115.58 117.23 1udl h ASN 46 Ca -0.08 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.34 1udl h ASN 46 Cb 1.27 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.55 1udl h ASN 46 CO 1.04 0.00 -0.27 -0.46 -1.65 0.00 0.00 177.43 176.09 1udl n ASN 47 N -2.37 -0.87 -0.55 5.81 2.04 -1.26 -5.02 115.26 113.04 1udl n ASN 47 Ca -0.02 -2.74 0.02 0.00 -0.44 0.00 0.00 54.58 51.40 1udl n ASN 47 Cb 0.08 1.78 0.07 0.00 -2.53 0.00 0.00 39.78 39.17 1udl n ASN 47 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 1udl n GLU 48 N -0.52 1.54 -0.05 -3.83 1.02 -1.26 -3.44 120.64 114.10 1udl n GLU 48 Ca 0.04 -0.53 -0.06 0.00 -0.02 0.00 0.00 57.16 56.58 1udl n GLU 48 Cb 0.51 -1.42 -0.06 0.00 -0.02 0.00 0.00 31.44 30.44 1udl n GLU 48 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1udl n ASP 49 N 0.02 2.88 -4.77 1.62 9.92 -1.26 -5.03 116.55 119.93 1udl n ASP 49 Ca 0.05 -0.03 -0.27 0.00 -0.53 0.00 0.00 54.79 54.00 1udl n ASP 49 Cb 0.30 0.28 0.10 0.00 -0.64 0.00 0.00 41.12 41.15 1udl n ASP 49 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1udl s GLU 50 N -2.23 1.83 -0.16 -1.24 8.01 -1.22 -3.63 118.70 120.05 1udl s GLU 50 Ca -0.10 -0.22 -0.08 0.00 0.01 0.00 0.00 54.97 54.58 1udl s GLU 50 Cb 0.03 -2.06 -0.04 0.00 -4.31 0.00 0.00 34.13 27.76 1udl s GLU 50 CO 0.33 -1.57 0.10 -1.17 0.01 0.00 0.00 175.26 172.96 1udl s LEU 51 N -5.46 4.08 -0.28 1.80 0.20 -0.40 -4.34 118.68 114.28 1udl s LEU 51 Ca 0.63 0.24 -0.07 0.00 0.69 0.00 0.00 54.13 55.63 1udl s LEU 51 Cb -0.09 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.64 1udl s LEU 51 CO 0.47 0.26 0.08 -0.44 -0.29 0.00 0.00 176.35 176.43 1udl s SER 52 N -0.14 5.11 0.12 3.68 0.01 -1.26 -3.15 113.70 118.07 1udl s SER 52 Ca 0.09 -0.50 -0.04 0.00 1.31 0.00 0.00 55.95 56.81 1udl s SER 52 Cb -0.12 -1.90 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1udl s SER 52 CO 0.01 -0.13 0.12 0.72 0.41 0.00 0.00 173.24 174.37 1udl s PHE 53 N 1.55 0.61 0.12 2.43 -0.12 0.34 -4.87 117.98 118.05 1udl s PHE 53 Ca 0.04 -1.01 0.05 0.00 -0.05 0.00 0.00 56.93 55.96 1udl s PHE 53 Cb -0.16 -0.31 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 1udl s PHE 53 CO 0.03 -0.56 0.04 -1.12 -0.05 0.00 0.00 175.22 173.56 1udl s SER 54 N -2.99 5.13 -0.45 1.98 0.01 -1.26 0.11 113.70 116.23 1udl s SER 54 Ca 0.18 -0.19 -0.44 0.00 1.31 0.00 0.00 55.95 56.80 1udl s SER 54 Cb 0.06 -1.24 -0.18 0.00 0.21 0.00 0.00 66.02 64.86 1udl s SER 54 CO -0.02 0.14 1.78 1.17 0.41 0.00 0.00 173.24 176.71 1udl n LYS 55 N 0.23 0.28 -0.87 12.44 4.81 -1.25 -0.87 118.16 132.92 1udl n LYS 55 Ca -0.10 0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1udl n LYS 55 Cb 0.53 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.91 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 4.93 1.29 3.87 3.14 0.00 -0.03 -4.94 105.19 113.44 1udl n GLY 56 Ca 0.36 -0.38 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.30 3.81 -0.67 1.61 2.00 -0.05 -4.84 119.66 119.22 1udl s GLN 57 Ca 0.00 0.43 -0.27 0.00 -2.00 0.00 0.00 55.36 53.52 1udl s GLN 57 Cb 0.00 -2.46 0.01 0.00 0.80 0.00 0.00 33.01 31.37 1udl s GLN 57 CO 0.00 0.07 1.45 -1.17 -0.50 0.00 0.00 175.29 175.14 1udl s LEU 58 N -3.53 3.25 -0.09 3.68 2.96 -1.26 -3.82 118.68 119.87 1udl s LEU 58 Ca 0.50 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.36 1udl s LEU 58 Cb -0.10 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 1udl s LEU 58 CO 0.27 -1.94 -0.23 -0.63 -1.32 0.00 0.00 176.35 172.50 1udl s ILE 59 N 6.60 2.19 -0.33 6.68 1.01 -1.21 -4.10 121.20 132.04 1udl s ILE 59 Ca 0.46 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 60.15 1udl s ILE 59 Cb -0.10 -1.83 0.10 0.00 0.01 0.00 0.00 42.46 40.64 1udl s ILE 59 CO 0.19 0.56 0.06 0.20 0.00 0.00 0.00 174.94 175.94 1udl s ASN 60 N 0.12 4.61 0.02 3.58 0.01 -1.20 -1.65 114.94 120.43 1udl s ASN 60 Ca -0.12 -2.04 -0.33 0.00 -0.71 0.00 0.00 52.86 49.67 1udl s ASN 60 Cb -0.16 -1.47 -0.11 0.00 0.41 0.00 0.00 41.25 39.92 1udl s ASN 60 CO 0.06 -0.38 1.85 0.52 -1.51 0.00 0.00 177.10 177.65 1udl n VAL 61 N 4.38 0.50 -0.08 1.60 0.31 -0.99 -3.29 118.33 120.77 1udl n VAL 61 Ca 0.02 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 1udl n VAL 61 Cb 0.42 -1.99 -0.08 0.00 -0.91 0.00 0.00 33.84 31.28 1udl n VAL 61 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1udl n MET 62 N 6.21 0.82 -3.62 5.55 2.81 0.78 -0.33 117.12 129.34 1udl n MET 62 Ca 0.20 0.07 -0.27 0.00 -1.81 0.00 0.00 57.70 55.89 1udl n MET 62 Cb 0.34 -1.33 -0.16 0.00 -0.71 0.00 0.00 33.22 31.35 1udl n MET 62 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1udl s ASN 63 N -5.33 2.92 -0.37 7.83 3.84 -1.23 -4.40 114.94 118.20 1udl s ASN 63 Ca -0.18 -0.93 0.06 0.00 0.21 0.00 0.00 52.86 52.02 1udl s ASN 63 Cb 0.05 -0.38 0.44 0.00 -0.55 0.00 0.00 41.25 40.81 1udl s ASN 63 CO 0.43 -0.37 1.17 2.29 -2.79 0.00 0.00 177.10 177.82 1udl n LYS 64 N 5.20 3.51 0.26 0.43 2.85 -1.26 -2.72 118.16 126.42 1udl n LYS 64 Ca -0.07 -4.32 0.12 0.00 -1.05 0.00 0.00 58.31 52.99 1udl n LYS 64 Cb 0.46 -2.27 0.77 0.00 -0.65 0.00 0.00 35.03 33.34 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 2.38 0.00 -3.40 -5.58 2.03 -1.95 -3.39 116.42 106.51 1udl h ASP 65 Ca 0.34 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.99 1udl h ASP 65 Cb 1.21 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 39.46 1udl h ASP 65 CO 0.82 0.00 -0.70 -1.81 -1.03 0.00 0.00 179.24 176.52 1udl s ASP 66 N -6.57 4.50 0.00 4.15 1.01 -1.26 -4.97 116.67 113.52 1udl s ASP 66 Ca -0.05 -0.29 0.11 0.00 0.71 0.00 0.00 52.55 53.02 1udl s ASP 66 Cb 0.16 -1.76 0.64 0.00 1.01 0.00 0.00 42.92 42.97 1udl s ASP 66 CO 0.61 0.05 1.08 -0.81 0.21 0.00 0.00 175.17 176.31 1udl n PRO 67 N 4.36 0.49 -0.11 8.23 -0.04 -1.26 -2.86 135.00 143.81 1udl n PRO 67 Ca -0.18 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.04 1udl n PRO 67 Cb 0.52 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.52 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 -4.07 3.54 8.00 -1.26 -4.71 116.55 119.17 1udl n ASP 68 Ca 0.08 0.25 -0.19 0.00 0.71 0.00 0.00 54.79 55.64 1udl n ASP 68 Cb 0.04 -0.78 -0.14 0.00 -0.02 0.00 0.00 41.12 40.21 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 -2.48 0.97 0.24 1.24 0.52 -1.14 -1.95 118.94 116.35 1udl s TRP 69 Ca -0.33 -0.23 0.11 0.00 0.02 0.00 0.00 56.10 55.67 1udl s TRP 69 Cb 0.10 -0.61 -0.05 0.00 -1.15 0.00 0.00 33.47 31.76 1udl s TRP 69 CO 0.58 -0.01 -0.20 -1.58 0.02 0.00 0.00 176.95 175.76 1udl s TRP 70 N -0.43 2.33 -0.15 -1.98 0.51 0.87 -4.33 118.94 115.77 1udl s TRP 70 Ca 0.03 -0.33 0.00 0.00 -2.12 0.00 0.00 56.10 53.68 1udl s TRP 70 Cb -0.05 -1.08 -0.00 0.00 -0.81 0.00 0.00 33.47 31.53 1udl s TRP 70 CO -0.00 0.61 -0.16 -1.14 -0.51 0.00 0.00 176.95 175.76 1udl s GLN 71 N -3.13 3.22 0.37 4.98 0.74 -1.10 -2.70 119.66 122.04 1udl s GLN 71 Ca 0.26 -0.75 0.06 0.00 0.05 0.00 0.00 55.36 54.98 1udl s GLN 71 Cb -0.06 -2.61 -0.03 0.00 1.10 0.00 0.00 33.01 31.41 1udl s GLN 71 CO 0.13 0.04 0.22 0.20 -0.55 0.00 0.00 175.29 175.34 1udl s GLY 72 N 0.74 2.47 0.23 2.59 0.00 -1.26 -0.15 107.32 111.94 1udl s GLY 72 Ca -0.07 -1.71 0.08 0.00 0.00 0.00 0.00 44.72 43.03 1udl s GLY 72 CO 0.01 -1.62 -0.13 -1.83 0.00 0.00 0.00 173.10 169.53 1udl s GLU 73 N -3.54 1.42 -0.28 2.90 -1.05 -1.21 -3.57 118.70 113.37 1udl s GLU 73 Ca 0.33 -1.65 0.01 0.00 -0.15 0.00 0.00 54.97 53.51 1udl s GLU 73 Cb 0.02 -1.20 0.16 0.00 -0.44 0.00 0.00 34.13 32.68 1udl s GLU 73 CO 0.22 0.17 0.46 0.42 0.95 0.00 0.00 175.26 177.48 1udl s ILE 74 N -2.93 -0.74 -1.35 1.83 1.01 0.21 -3.27 121.20 115.95 1udl s ILE 74 Ca 0.25 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.72 1udl s ILE 74 Cb -0.00 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.55 1udl s ILE 74 CO 0.09 -0.14 0.92 0.59 0.00 0.00 0.00 174.94 176.40 1udl n ASN 75 N 5.38 -3.21 0.00 3.58 3.02 -1.26 -0.98 115.26 121.79 1udl n ASN 75 Ca -0.00 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.83 1udl n ASN 75 Cb 0.51 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 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 -1.59 0.49 3.67 7.41 0.00 -1.26 -5.02 105.19 108.89 1udl n GLY 76 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 4.25 0.11 1.61 0.11 -0.15 -5.12 120.40 119.15 1udl s VAL 77 Ca 0.00 -0.27 0.08 0.00 -2.93 0.00 0.00 61.98 58.86 1udl s VAL 77 Cb 0.00 -2.78 -0.04 0.00 -1.53 0.00 0.00 36.38 32.03 1udl s VAL 77 CO 0.00 0.60 -0.21 0.42 -3.33 0.00 0.00 175.10 172.59 1udl s THR 78 N -0.86 1.77 0.00 5.04 -4.23 -1.26 0.63 115.64 116.73 1udl s THR 78 Ca 0.13 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1udl s THR 78 Cb -0.11 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1udl s THR 78 CO 0.02 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1udl n GLY 79 N 0.95 2.54 3.00 3.99 0.00 -1.23 -4.79 105.19 109.64 1udl n GLY 79 Ca -0.18 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 2.14 -0.04 0.99 1.43 -1.24 -4.36 118.68 117.60 1udl s LEU 80 Ca 0.00 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.48 1udl s LEU 80 Cb 0.00 -0.16 0.09 0.00 0.03 0.00 0.00 46.19 46.15 1udl s LEU 80 CO 0.00 -0.10 0.78 0.72 0.23 0.00 0.00 176.35 177.98 1udl s PHE 81 N -0.80 -0.52 0.53 0.29 -0.12 -1.10 -1.28 117.98 114.99 1udl s PHE 81 Ca -0.05 0.74 -0.20 0.00 -0.05 0.00 0.00 56.93 57.37 1udl s PHE 81 Cb -0.06 0.46 -0.06 0.00 -0.63 0.00 0.00 43.02 42.73 1udl s PHE 81 CO -0.00 -0.57 1.13 -1.25 -0.05 0.00 0.00 175.22 174.48 1udl s PRO 82 N -1.85 3.41 0.00 1.99 0.04 -1.26 -0.09 135.00 137.24 1udl s PRO 82 Ca -0.04 1.63 0.14 0.00 0.04 0.00 0.00 61.00 62.76 1udl s PRO 82 Cb -0.00 -2.06 0.81 0.00 0.04 0.00 0.00 34.50 33.29 1udl s PRO 82 CO 0.01 -0.80 1.37 0.45 0.04 0.00 0.00 177.00 178.07 1udl n SER 83 N -1.19 0.00 -0.01 6.66 2.88 -0.82 -2.45 113.62 118.69 1udl n SER 83 Ca 0.11 -1.15 0.10 0.00 -1.33 0.00 0.00 58.87 56.61 1udl n SER 83 Cb 0.51 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.81 1udl n SER 83 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1udl n ASN 84 N -0.77 0.39 -0.55 -3.46 4.13 -1.26 -4.18 115.26 109.56 1udl n ASN 84 Ca 0.10 -0.22 0.10 0.00 1.68 0.00 0.00 54.58 56.24 1udl n ASN 84 Cb 0.05 1.74 0.36 0.00 -1.54 0.00 0.00 39.78 40.39 1udl n ASN 84 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1udl n TYR 85 N -2.06 0.23 -4.16 3.10 4.02 -1.02 -4.87 117.16 112.39 1udl n TYR 85 Ca -0.02 -0.11 -0.14 0.00 -0.01 0.00 0.00 57.90 57.62 1udl n TYR 85 Cb 0.49 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.71 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 -1.77 0.85 -0.11 -0.72 -7.23 -1.26 -0.78 120.40 109.37 1udl s VAL 86 Ca 0.32 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 58.87 1udl s VAL 86 Cb 0.17 -1.28 0.04 0.00 0.56 0.00 0.00 36.38 35.87 1udl s VAL 86 CO 0.25 -0.57 0.05 -0.75 -0.31 0.00 0.00 175.10 173.77 1udl s LYS 87 N -2.72 0.30 -0.41 4.82 2.47 0.25 -4.88 119.74 119.56 1udl s LYS 87 Ca 0.04 0.02 -0.42 0.00 -1.56 0.00 0.00 55.97 54.05 1udl s LYS 87 Cb -0.03 -1.32 -0.18 0.00 -1.46 0.00 0.00 37.83 34.84 1udl s LYS 87 CO -0.01 -0.48 1.40 -1.33 0.16 0.00 0.00 175.35 175.10 1udl n MET 88 N 5.20 0.00 -0.21 4.03 2.81 -1.26 -1.98 117.12 125.70 1udl n MET 88 Ca -0.06 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.78 1udl n MET 88 Cb 0.49 -1.35 0.05 0.00 -0.71 0.00 0.00 33.22 31.71 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 4.34 1.11 -3.94 2.03 1.35 -1.55 -3.46 112.91 112.80 1udl h THR 89 Ca -0.40 -0.27 -0.30 0.00 -0.55 0.00 0.00 66.41 64.89 1udl h THR 89 Cb 1.23 0.26 0.07 0.00 -1.73 0.00 0.00 68.15 67.99 1udl h THR 89 CO 0.86 0.14 -0.47 0.41 -0.25 0.00 0.00 175.52 176.21 1udl n THR 90 N -4.70 -1.81 -3.46 6.82 -1.04 -1.26 -4.99 114.28 103.83 1udl n THR 90 Ca 0.05 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.69 1udl n THR 90 Cb 0.06 -3.07 -0.06 0.00 -1.82 0.00 0.00 70.33 65.43 1udl n THR 90 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1udl s ASP 91 N -2.99 6.64 0.06 8.00 -4.77 -1.26 -5.04 116.67 117.31 1udl s ASP 91 Ca 0.32 0.76 -0.31 0.00 -3.30 0.00 0.00 52.55 50.03 1udl s ASP 91 Cb -0.14 -2.24 -0.07 0.00 -1.09 0.00 0.00 42.92 39.38 1udl s ASP 91 CO 0.40 0.16 1.52 -0.44 0.70 0.00 0.00 175.17 177.50 1udl s SER 92 N -0.06 6.72 -0.06 2.11 0.01 -1.26 -5.00 113.70 116.16 1udl s SER 92 Ca 0.22 2.35 -0.02 0.00 1.31 0.00 0.00 55.95 59.81 1udl s SER 92 Cb -0.15 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.55 1udl s SER 92 CO 0.09 -0.79 0.10 -0.44 0.41 0.00 0.00 173.24 172.62 1udl s SER 93 N 1.91 0.71 0.00 2.44 0.01 -1.26 -5.11 113.70 112.40 1udl s SER 93 Ca 0.69 0.19 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1udl s SER 93 Cb -0.37 0.06 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1udl s SER 93 CO 0.30 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.34 1udl n GLY 94 N 5.04 -1.71 3.76 3.44 0.00 -1.26 -4.89 105.19 109.58 1udl n GLY 94 Ca -0.10 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 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 4.46 -0.44 1.61 0.04 -1.26 -4.96 135.00 134.45 1udl s PRO 95 Ca 0.00 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.14 1udl s PRO 95 Cb 0.00 -3.12 0.45 0.00 0.04 0.00 0.00 34.50 31.87 1udl s PRO 95 CO 0.00 -0.05 1.47 -1.13 0.04 0.00 0.00 177.00 177.33 1udl n SER 96 N 1.08 5.85 -4.67 6.66 3.41 -1.26 -5.01 113.62 119.68 1udl n SER 96 Ca 0.00 -3.76 -0.38 0.00 -0.26 0.00 0.00 58.87 54.47 1udl n SER 96 Cb 0.43 -0.57 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1udl n SER 96 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1udl s SER 97 N -2.97 6.41 0.00 4.04 0.15 -1.26 -5.24 113.70 114.83 1udl s SER 97 Ca 0.55 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.68 1udl s SER 97 Cb 0.44 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 1udl s SER 97 CO -0.01 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.99