#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x49 s SER 2 N 0.00 6.13 -0.30 1.61 1.04 -1.26 -5.06 113.70 115.86 1x49 s SER 2 Ca 0.00 0.12 0.02 0.00 0.48 0.00 0.00 55.95 56.58 1x49 s SER 2 Cb 0.00 -2.10 0.09 0.00 0.10 0.00 0.00 66.02 64.10 1x49 s SER 2 CO 0.00 0.07 0.02 -0.44 0.98 0.00 0.00 173.24 173.87 1x49 s SER 3 N 1.00 4.36 0.00 7.02 0.01 -1.26 -5.09 113.70 119.74 1x49 s SER 3 Ca 0.08 -1.74 0.00 0.00 1.31 0.00 0.00 55.95 55.60 1x49 s SER 3 Cb -0.13 -1.35 0.00 0.00 0.21 0.00 0.00 66.02 64.75 1x49 s SER 3 CO 0.04 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 173.97 1x49 n GLY 4 N 4.50 3.11 3.57 3.44 0.00 -1.26 -4.87 105.19 113.67 1x49 n GLY 4 Ca -0.03 -1.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 1x49 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x49 n SER 5 N 0.00 -4.40 -3.56 1.61 7.64 -1.26 -4.99 113.62 108.66 1x49 n SER 5 Ca 0.00 -0.61 -0.14 0.00 1.01 0.00 0.00 58.87 59.14 1x49 n SER 5 Cb 0.00 -4.91 -0.05 0.00 -1.01 0.00 0.00 64.21 58.24 1x49 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x49 s SER 6 N -3.75 -0.45 0.00 6.43 1.04 -1.26 -5.04 113.70 110.67 1x49 s SER 6 Ca 0.35 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.91 1x49 s SER 6 Cb -0.16 0.50 -0.15 0.00 0.10 0.00 0.00 66.02 66.31 1x49 s SER 6 CO 0.74 -0.74 2.67 0.61 0.98 0.00 0.00 173.24 177.50 1x49 n GLY 7 N 0.33 2.53 2.96 7.32 0.00 -1.26 -4.77 105.19 112.29 1x49 n GLY 7 Ca -0.18 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 1x49 n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x49 s MET 8 N 0.99 1.00 0.56 1.61 -2.45 -1.26 -5.13 119.30 114.63 1x49 s MET 8 Ca 0.38 -0.24 -0.18 0.00 -1.25 0.00 0.00 55.69 54.41 1x49 s MET 8 Cb 0.18 -0.93 -0.11 0.00 1.25 0.00 0.00 34.83 35.23 1x49 s MET 8 CO 0.00 0.02 0.29 0.00 1.05 0.00 0.00 175.02 176.38 1x49 n ALA 9 N 3.65 -1.88 -2.83 4.11 0.00 -1.26 -5.00 120.51 117.29 1x49 n ALA 9 Ca -0.22 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.05 1x49 n ALA 9 Cb 0.53 -1.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 1x49 n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x49 s SER 10 N -1.13 0.42 -0.81 0.00 0.01 -1.26 -5.11 113.70 105.83 1x49 s SER 10 Ca 0.64 -1.28 0.01 0.00 1.31 0.00 0.00 55.95 56.64 1x49 s SER 10 Cb -0.45 0.57 0.20 0.00 0.21 0.00 0.00 66.02 66.55 1x49 s SER 10 CO 0.59 -1.14 0.65 -1.81 0.41 0.00 0.00 173.24 171.94 1x49 s ASP 11 N -3.15 5.47 0.31 2.44 1.01 -1.26 -5.08 116.67 116.41 1x49 s ASP 11 Ca 0.30 -3.79 -0.29 0.00 0.71 0.00 0.00 52.55 49.48 1x49 s ASP 11 Cb 0.01 -1.79 -0.11 0.00 1.01 0.00 0.00 42.92 42.05 1x49 s ASP 11 CO 0.15 -0.14 1.46 -0.89 0.21 0.00 0.00 175.17 175.96 1x49 s THR 12 N -1.40 2.38 0.25 -1.27 2.01 -1.26 -4.91 115.64 111.44 1x49 s THR 12 Ca 0.26 0.35 0.21 0.00 0.31 0.00 0.00 61.69 62.82 1x49 s THR 12 Cb -0.06 -3.22 0.18 0.00 0.01 0.00 0.00 72.50 69.41 1x49 s THR 12 CO -0.14 0.07 1.83 1.55 -0.69 0.00 0.00 174.62 177.24 1x49 h PRO 13 N 4.19 0.00 -0.47 4.92 0.13 -2.00 -3.41 132.00 135.36 1x49 h PRO 13 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1x49 h PRO 13 Cb 1.22 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.19 1x49 h PRO 13 CO 0.72 0.30 -0.24 0.20 -0.23 0.00 0.00 178.00 178.75 1x49 s GLY 14 N -4.30 -1.64 -0.01 1.56 0.00 -1.26 -4.73 107.32 96.93 1x49 s GLY 14 Ca -0.01 0.42 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 1x49 s GLY 14 CO 0.66 4.09 -0.02 0.33 0.00 0.00 0.00 173.10 178.17 1x49 n PHE 15 N 3.02 0.08 -0.16 1.90 7.35 -1.26 -4.08 117.46 124.31 1x49 n PHE 15 Ca 0.12 0.04 -0.02 0.00 -0.76 0.00 0.00 57.45 56.82 1x49 n PHE 15 Cb 0.62 -0.28 0.07 0.00 0.35 0.00 0.00 39.48 40.23 1x49 n PHE 15 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 1x49 h TYR 16 N -0.09 0.22 -0.87 -5.13 0.05 -1.97 -1.71 116.97 107.48 1x49 h TYR 16 Ca 0.00 0.03 0.23 0.00 0.05 0.00 0.00 58.73 59.03 1x49 h TYR 16 Cb 0.05 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 37.62 1x49 h TYR 16 CO -0.02 0.03 0.12 0.52 -1.05 0.00 0.00 178.16 177.77 1x49 h MET 17 N 0.28 0.13 -0.03 4.88 2.86 -1.83 1.18 114.93 122.40 1x49 h MET 17 Ca 0.25 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.87 1x49 h MET 17 Cb 0.31 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1x49 h MET 17 CO -0.30 0.08 -0.05 -0.44 1.06 0.00 0.00 176.91 177.27 1x49 h ASP 18 N 0.13 0.04 0.41 1.22 5.19 -1.45 -1.88 116.42 120.07 1x49 h ASP 18 Ca 0.52 -0.00 -0.22 0.00 -0.62 0.00 0.00 57.03 56.71 1x49 h ASP 18 Cb 1.04 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.54 1x49 h ASP 18 CO -0.72 0.09 -0.95 0.11 -3.12 0.00 0.00 179.24 174.66 1x49 h LYS 19 N 0.04 0.35 0.56 3.56 1.57 0.14 -2.87 116.57 119.93 1x49 h LYS 19 Ca 0.01 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.37 1x49 h LYS 19 Cb 0.12 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.55 1x49 h LYS 19 CO 0.01 1.08 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.63 1x49 h LEU 20 N 0.19 -0.63 -0.01 2.94 3.38 -0.32 -2.87 115.31 118.00 1x49 h LEU 20 Ca -0.07 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.88 1x49 h LEU 20 Cb 1.59 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 1x49 h LEU 20 CO 0.16 -0.31 -0.24 0.78 0.09 0.00 0.00 178.44 178.92 1x49 h ASN 21 N -0.96 -0.70 -0.10 -0.43 4.21 -1.54 0.17 115.58 116.22 1x49 h ASN 21 Ca -0.08 0.10 0.03 0.00 1.21 0.00 0.00 56.30 57.56 1x49 h ASN 21 Cb 0.64 0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 38.12 1x49 h ASN 21 CO 0.13 -0.30 0.52 0.11 -1.29 0.00 0.00 177.43 176.60 1x49 h LYS 22 N -0.37 0.00 0.06 0.81 1.57 -1.54 0.24 116.57 117.34 1x49 h LYS 22 Ca 0.06 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.47 1x49 h LYS 22 Cb 0.45 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1x49 h LYS 22 CO -0.22 0.00 -2.20 0.98 -0.57 0.00 0.00 179.45 177.44 1x49 n TYR 23 N -2.93 0.66 -0.19 -1.35 4.19 0.14 -3.56 117.16 114.13 1x49 n TYR 23 Ca 0.01 0.15 -0.08 0.00 3.31 0.00 0.00 57.90 61.28 1x49 n TYR 23 Cb 0.59 -1.09 0.02 0.00 0.49 0.00 0.00 39.34 39.35 1x49 n TYR 23 CO 0.00 0.00 0.00 0.07 0.91 0.00 0.00 176.86 177.84 1x49 h ARG 24 N 0.03 0.83 -0.01 2.98 0.11 0.20 0.97 114.38 119.50 1x49 h ARG 24 Ca -0.49 -0.17 -0.11 0.00 0.10 0.00 0.00 59.98 59.31 1x49 h ARG 24 Cb 1.99 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 32.93 1x49 h ARG 24 CO 0.01 0.76 -0.53 -0.56 0.10 0.00 0.00 179.97 179.75 1x49 h GLN 25 N 0.74 0.02 0.11 0.08 3.07 -1.19 0.26 115.11 118.21 1x49 h GLN 25 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 58.90 1x49 h GLN 25 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.83 1x49 h GLN 25 CO -0.01 0.54 -0.05 1.98 0.09 0.00 0.00 178.83 181.38 1x49 h MET 26 N 0.02 -0.14 -0.71 0.06 4.05 -1.52 -3.36 114.93 113.33 1x49 h MET 26 Ca -0.00 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1x49 h MET 26 Cb 0.94 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.74 1x49 h MET 26 CO 0.07 -0.09 0.29 0.45 0.23 0.00 0.00 176.91 177.85 1x49 h HIS 27 N -0.56 1.05 -0.07 1.39 3.86 -0.92 -3.47 115.15 116.43 1x49 h HIS 27 Ca -0.01 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1x49 h HIS 27 Cb 0.11 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.26 1x49 h HIS 27 CO 0.02 0.80 0.00 0.41 0.86 0.00 0.00 177.93 180.02 1x49 n GLY 28 N -0.96 0.86 3.79 2.45 0.00 0.77 -5.07 105.19 107.02 1x49 n GLY 28 Ca 0.06 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1x49 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x49 s VAL 29 N -1.78 3.53 -0.34 1.61 -7.23 -0.39 -5.02 120.40 110.77 1x49 s VAL 29 Ca 0.00 -1.52 -0.10 0.00 -1.81 0.00 0.00 61.98 58.54 1x49 s VAL 29 Cb 0.00 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.82 1x49 s VAL 29 CO 0.00 -0.23 0.18 0.00 -0.31 0.00 0.00 175.10 174.74 1x49 s ALA 30 N -2.31 3.28 -0.22 1.32 0.00 -1.26 -4.66 121.76 117.92 1x49 s ALA 30 Ca 0.38 -1.51 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 1x49 s ALA 30 Cb -0.05 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 1x49 s ALA 30 CO 0.24 -1.08 0.13 0.42 0.00 0.00 0.00 175.76 175.48 1x49 s ILE 31 N 1.60 5.27 -0.07 0.00 1.01 -1.25 -3.21 121.20 124.55 1x49 s ILE 31 Ca 0.04 0.14 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1x49 s ILE 31 Cb -0.18 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.88 1x49 s ILE 31 CO 0.07 0.40 -0.13 -0.89 0.00 0.00 0.00 174.94 174.39 1x49 s THR 32 N 0.71 1.17 -0.49 2.92 2.01 -0.03 -4.93 115.64 117.00 1x49 s THR 32 Ca 0.07 -0.50 -0.16 0.00 0.31 0.00 0.00 61.69 61.41 1x49 s THR 32 Cb -0.12 -1.06 0.08 0.00 0.01 0.00 0.00 72.50 71.41 1x49 s THR 32 CO 0.01 0.36 0.45 -0.31 -0.69 0.00 0.00 174.62 174.44 1x49 s TYR 33 N 0.65 3.22 -0.31 4.92 1.51 -1.26 0.22 117.35 126.31 1x49 s TYR 33 Ca -0.15 -0.97 -0.26 0.00 -1.01 0.00 0.00 57.07 54.68 1x49 s TYR 33 Cb -0.16 -3.37 0.01 0.00 -0.11 0.00 0.00 41.96 38.33 1x49 s TYR 33 CO 0.04 -0.88 0.93 0.21 -1.11 0.00 0.00 175.55 174.73 1x49 s LYS 34 N 1.75 4.03 -0.06 -0.62 2.20 -0.31 -4.94 119.74 121.79 1x49 s LYS 34 Ca 0.05 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 1x49 s LYS 34 Cb -0.25 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 1x49 s LYS 34 CO 0.06 -0.77 1.21 -2.00 -0.36 0.00 0.00 175.35 173.50 1x49 s GLU 35 N 3.26 4.34 0.39 4.03 2.12 -1.26 -2.87 118.70 128.72 1x49 s GLU 35 Ca 0.39 1.68 0.08 0.00 0.36 0.00 0.00 54.97 57.47 1x49 s GLU 35 Cb -0.13 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.69 1x49 s GLU 35 CO 0.13 -0.47 0.52 -0.51 -0.54 0.00 0.00 175.26 174.40 1x49 s LEU 36 N 2.29 3.72 1.13 2.70 1.43 -0.99 -5.03 118.68 123.92 1x49 s LEU 36 Ca 0.56 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 1x49 s LEU 36 Cb -0.25 -2.62 0.25 0.00 0.03 0.00 0.00 46.19 43.60 1x49 s LEU 36 CO 0.22 -0.65 1.11 -0.55 0.23 0.00 0.00 176.35 176.71 1x49 s SER 37 N -4.28 1.57 0.19 2.29 0.15 -1.26 -4.46 113.70 107.90 1x49 s SER 37 Ca 0.51 0.78 -0.06 0.00 0.70 0.00 0.00 55.95 57.89 1x49 s SER 37 Cb -0.09 -1.16 -0.06 0.00 -1.71 0.00 0.00 66.02 63.00 1x49 s SER 37 CO 0.32 -3.74 0.44 -0.89 1.20 0.00 0.00 173.24 170.57 1x49 s THR 38 N -3.04 5.09 -0.08 6.45 2.01 -1.26 -3.44 115.64 121.37 1x49 s THR 38 Ca 0.69 0.12 -0.06 0.00 0.31 0.00 0.00 61.69 62.75 1x49 s THR 38 Cb -0.12 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.77 1x49 s THR 38 CO 0.56 -0.05 0.20 -0.55 -0.69 0.00 0.00 174.62 174.09 1x49 s SER 39 N -2.55 -0.20 0.00 3.53 0.15 -0.77 -4.99 113.70 108.88 1x49 s SER 39 Ca 0.43 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1x49 s SER 39 Cb -0.12 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1x49 s SER 39 CO 0.25 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1x49 n GLY 40 N 3.50 0.95 3.67 9.45 0.00 -1.26 -2.45 105.19 119.05 1x49 n GLY 40 Ca -0.18 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.61 1x49 n GLY 40 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x49 s PRO 41 N -1.74 0.37 0.28 1.61 0.04 -1.12 -4.94 135.00 129.50 1x49 s PRO 41 Ca 0.00 0.51 0.05 0.00 0.04 0.00 0.00 61.00 61.60 1x49 s PRO 41 Cb 0.00 -1.73 0.39 0.00 0.04 0.00 0.00 34.50 33.19 1x49 s PRO 41 CO 0.00 -2.77 1.66 -1.00 0.04 0.00 0.00 177.00 174.93 1x49 h PRO 42 N -1.92 0.26 0.08 0.56 0.13 -2.03 -3.29 132.00 125.79 1x49 h PRO 42 Ca -0.55 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1x49 h PRO 42 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1x49 h PRO 42 CO 0.58 0.67 -0.04 1.12 -0.23 0.00 0.00 178.00 180.10 1x49 h HIS 43 N 0.21 -0.10 -3.59 1.56 2.07 -2.05 -3.43 115.15 109.82 1x49 h HIS 43 Ca 0.01 -0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 56.86 1x49 h HIS 43 Cb 0.90 0.03 -0.26 0.00 2.57 0.00 0.00 27.41 30.65 1x49 h HIS 43 CO 0.02 0.44 -0.63 0.34 -3.07 0.00 0.00 177.93 175.02 1x49 s ASP 44 N -5.71 5.04 -0.16 3.10 -1.08 -1.24 -5.09 116.67 111.53 1x49 s ASP 44 Ca -0.13 -0.69 -0.06 0.00 -0.52 0.00 0.00 52.55 51.15 1x49 s ASP 44 Cb -0.01 -1.86 -0.04 0.00 -1.46 0.00 0.00 42.92 39.56 1x49 s ASP 44 CO 0.48 -0.18 0.05 -0.13 0.52 0.00 0.00 175.17 175.91 1x49 s ARG 45 N 1.49 3.75 -0.26 4.34 1.81 -1.26 -2.77 118.95 126.05 1x49 s ARG 45 Ca 0.03 -0.35 -0.06 0.00 -1.72 0.00 0.00 55.73 53.63 1x49 s ARG 45 Cb -0.17 -3.12 -0.01 0.00 -0.45 0.00 0.00 34.95 31.21 1x49 s ARG 45 CO 0.02 0.38 0.04 1.03 -0.68 0.00 0.00 175.30 176.09 1x49 s ARG 46 N 0.05 3.33 -0.21 3.54 1.81 -1.02 -4.88 118.95 121.56 1x49 s ARG 46 Ca 0.05 -0.68 -0.23 0.00 -1.72 0.00 0.00 55.73 53.15 1x49 s ARG 46 Cb -0.12 -3.24 -0.02 0.00 -0.45 0.00 0.00 34.95 31.12 1x49 s ARG 46 CO 0.01 -0.30 0.74 -0.06 -0.68 0.00 0.00 175.30 175.01 1x49 s PHE 47 N 1.52 3.35 0.15 -0.53 0.08 -1.04 -1.84 117.98 119.67 1x49 s PHE 47 Ca 0.05 1.06 -0.08 0.00 0.12 0.00 0.00 56.93 58.07 1x49 s PHE 47 Cb -0.16 -2.93 -0.06 0.00 -0.57 0.00 0.00 43.02 39.30 1x49 s PHE 47 CO 0.01 -0.28 0.44 0.99 -0.10 0.00 0.00 175.22 176.28 1x49 s THR 48 N 2.34 5.06 0.17 0.64 2.01 -1.22 -1.74 115.64 122.90 1x49 s THR 48 Ca 0.33 0.31 -0.08 0.00 0.31 0.00 0.00 61.69 62.55 1x49 s THR 48 Cb -0.16 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 1x49 s THR 48 CO 0.10 0.08 0.28 -0.36 -0.69 0.00 0.00 174.62 174.03 1x49 s PHE 49 N -1.63 0.44 -0.01 4.92 0.40 -0.26 -2.35 117.98 119.49 1x49 s PHE 49 Ca 0.41 -0.80 -0.22 0.00 -0.60 0.00 0.00 56.93 55.71 1x49 s PHE 49 Cb -0.12 -0.08 0.05 0.00 0.51 0.00 0.00 43.02 43.37 1x49 s PHE 49 CO 0.22 -0.72 0.49 1.14 0.70 0.00 0.00 175.22 177.04 1x49 s GLN 50 N -3.98 0.90 0.14 0.44 -2.07 -1.14 -0.33 119.66 113.62 1x49 s GLN 50 Ca 0.18 -0.06 0.06 0.00 -1.82 0.00 0.00 55.36 53.72 1x49 s GLN 50 Cb 0.03 0.41 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 1x49 s GLN 50 CO 0.01 -0.28 -0.00 0.08 -1.32 0.00 0.00 175.29 173.77 1x49 s VAL 51 N -1.61 3.82 -0.20 3.63 1.01 -1.26 -1.16 120.40 124.62 1x49 s VAL 51 Ca -0.10 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 1x49 s VAL 51 Cb -0.02 -2.87 0.06 0.00 0.00 0.00 0.00 36.38 33.54 1x49 s VAL 51 CO 0.04 -0.00 -0.00 -0.76 0.00 0.00 0.00 175.10 174.38 1x49 s LEU 52 N -2.64 1.66 -0.11 3.92 1.02 0.13 -2.57 118.68 120.09 1x49 s LEU 52 Ca 0.26 -0.91 0.02 0.00 0.02 0.00 0.00 54.13 53.52 1x49 s LEU 52 Cb -0.10 -0.81 -0.01 0.00 0.02 0.00 0.00 46.19 45.29 1x49 s LEU 52 CO 0.18 -0.27 -0.18 -0.63 0.02 0.00 0.00 176.35 175.48 1x49 s ILE 53 N 1.69 2.66 -1.35 -0.59 1.01 -1.14 -0.85 121.20 122.64 1x49 s ILE 53 Ca -0.02 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.79 1x49 s ILE 53 Cb -0.17 -2.07 0.02 0.00 0.01 0.00 0.00 42.46 40.24 1x49 s ILE 53 CO -0.07 0.54 0.78 -0.67 0.00 0.00 0.00 174.94 175.52 1x49 n ASP 54 N 3.38 -2.02 -3.02 3.58 2.03 -1.20 -1.03 116.55 118.28 1x49 n ASP 54 Ca -0.18 -0.80 -0.22 0.00 0.52 0.00 0.00 54.79 54.11 1x49 n ASP 54 Cb 0.53 -4.08 0.02 0.00 -0.72 0.00 0.00 41.12 36.87 1x49 n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1x49 n GLU 55 N -4.37 -4.10 -4.77 -0.67 4.71 -1.26 -4.97 120.64 105.20 1x49 n GLU 55 Ca -0.23 0.79 -0.33 0.00 -0.01 0.00 0.00 57.16 57.38 1x49 n GLU 55 Cb 0.65 -5.58 -0.12 0.00 -1.01 0.00 0.00 31.44 25.37 1x49 n GLU 55 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1x49 s LYS 56 N -5.69 2.65 -0.44 3.49 2.20 -0.20 -5.09 119.74 116.66 1x49 s LYS 56 Ca 0.29 -0.63 -0.17 0.00 -0.36 0.00 0.00 55.97 55.10 1x49 s LYS 56 Cb -0.13 -2.48 0.04 0.00 -1.51 0.00 0.00 37.83 33.74 1x49 s LYS 56 CO 0.35 0.62 0.43 -1.21 -0.36 0.00 0.00 175.35 175.18 1x49 s GLU 57 N -0.72 3.05 0.44 4.03 2.02 -1.26 -2.86 118.70 123.39 1x49 s GLU 57 Ca 0.11 -0.96 -0.06 0.00 0.02 0.00 0.00 54.97 54.08 1x49 s GLU 57 Cb -0.11 -4.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.05 1x49 s GLU 57 CO 0.01 -0.92 0.76 -0.06 0.02 0.00 0.00 175.26 175.07 1x49 s PHE 58 N 2.00 3.53 -0.41 1.61 0.40 -1.06 -5.00 117.98 119.05 1x49 s PHE 58 Ca 0.09 0.85 -0.28 0.00 -0.60 0.00 0.00 56.93 56.99 1x49 s PHE 58 Cb -0.19 -2.31 -0.01 0.00 0.51 0.00 0.00 43.02 41.01 1x49 s PHE 58 CO 0.11 -0.19 1.74 -1.25 0.70 0.00 0.00 175.22 176.33 1x49 s PRO 59 N -4.40 3.22 0.99 0.24 0.04 -1.26 -4.62 135.00 129.20 1x49 s PRO 59 Ca 0.48 1.14 -0.13 0.00 0.04 0.00 0.00 61.00 62.53 1x49 s PRO 59 Cb -0.10 -4.21 0.17 0.00 0.04 0.00 0.00 34.50 30.40 1x49 s PRO 59 CO 0.40 -2.00 0.35 -0.85 0.04 0.00 0.00 177.00 174.93 1x49 n GLU 60 N 8.54 -2.27 -3.45 4.56 0.00 -1.26 -4.84 120.64 121.91 1x49 n GLU 60 Ca 0.21 -0.67 -0.12 0.00 0.00 0.00 0.00 57.16 56.58 1x49 n GLU 60 Cb 0.48 -1.45 -0.02 0.00 0.00 0.00 0.00 31.44 30.44 1x49 n GLU 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x49 s ALA 61 N -2.06 -1.52 0.02 -1.84 0.00 0.55 -4.87 121.76 112.04 1x49 s ALA 61 Ca 0.34 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.69 1x49 s ALA 61 Cb -0.06 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.85 1x49 s ALA 61 CO 0.31 -0.74 0.27 0.15 0.00 0.00 0.00 175.76 175.75 1x49 s LYS 62 N -3.68 3.57 -0.06 0.00 1.02 -1.26 -1.10 119.74 118.23 1x49 s LYS 62 Ca 0.01 -0.10 -0.06 0.00 0.02 0.00 0.00 55.97 55.84 1x49 s LYS 62 Cb -0.01 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.26 1x49 s LYS 62 CO -0.12 0.64 0.18 0.20 -0.92 0.00 0.00 175.35 175.32 1x49 s GLY 63 N -1.78 -0.12 0.16 -3.33 0.00 -0.71 -4.80 107.32 96.73 1x49 s GLY 63 Ca 0.29 0.46 -0.23 0.00 0.00 0.00 0.00 44.72 45.24 1x49 s GLY 63 CO 0.17 0.38 1.61 -0.09 0.00 0.00 0.00 173.10 175.17 1x49 h ARG 64 N 5.71 -0.25 -6.16 2.90 1.12 -1.88 -2.76 114.38 113.06 1x49 h ARG 64 Ca -0.26 0.02 -0.53 0.00 -1.11 0.00 0.00 59.98 58.10 1x49 h ARG 64 Cb 1.20 0.06 -0.06 0.00 -0.01 0.00 0.00 29.97 31.15 1x49 h ARG 64 CO 0.39 -0.16 -0.53 0.45 -3.11 0.00 0.00 179.97 177.01 1x49 s SER 65 N -5.05 4.99 0.10 -3.80 0.15 -1.26 -4.54 113.70 104.29 1x49 s SER 65 Ca -0.15 -0.57 -0.31 0.00 0.70 0.00 0.00 55.95 55.63 1x49 s SER 65 Cb 0.13 -0.96 -0.13 0.00 -1.71 0.00 0.00 66.02 63.35 1x49 s SER 65 CO 0.68 -0.20 1.49 0.50 1.20 0.00 0.00 173.24 176.91 1x49 h LYS 66 N 1.52 -0.60 -0.59 5.44 1.63 -1.91 -0.09 116.57 121.99 1x49 h LYS 66 Ca -0.45 0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.41 1x49 h LYS 66 Cb 1.25 0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.98 1x49 h LYS 66 CO 0.61 -0.40 0.37 0.37 -3.45 0.00 0.00 179.45 176.95 1x49 h GLN 67 N -0.62 0.71 -0.95 1.90 4.15 -1.96 -1.97 115.11 116.38 1x49 h GLN 67 Ca 0.01 -0.04 0.19 0.00 0.77 0.00 0.00 58.65 59.57 1x49 h GLN 67 Cb 0.65 -0.16 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 1x49 h GLN 67 CO -0.30 0.47 0.61 1.49 -1.93 0.00 0.00 178.83 179.16 1x49 h GLU 68 N 0.74 0.57 -0.45 1.69 4.57 -1.71 -0.15 114.58 119.84 1x49 h GLU 68 Ca 0.23 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.33 1x49 h GLU 68 Cb -0.02 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1x49 h GLU 68 CO -0.08 0.37 0.11 0.00 -1.18 0.00 0.00 179.01 178.23 1x49 h ALA 69 N 1.62 0.59 -0.71 2.92 0.00 -0.24 -2.26 119.26 121.18 1x49 h ALA 69 Ca 0.51 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1x49 h ALA 69 Cb 1.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1x49 h ALA 69 CO -0.25 0.28 0.46 0.00 0.00 0.00 0.00 179.25 179.73 1x49 h ARG 70 N 0.60 0.88 -0.59 0.00 3.08 -0.91 -1.11 114.38 116.34 1x49 h ARG 70 Ca 0.14 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1x49 h ARG 70 Cb 0.32 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 1x49 h ARG 70 CO 0.00 0.58 0.16 -0.97 -1.07 0.00 0.00 179.97 178.68 1x49 h ASN 71 N 0.91 0.83 0.51 7.04 -0.73 -1.25 -2.49 115.58 120.40 1x49 h ASN 71 Ca 0.28 -0.15 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 1x49 h ASN 71 Cb -0.03 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.35 1x49 h ASN 71 CO -0.09 0.80 -0.24 0.00 -0.37 0.00 0.00 177.43 177.53 1x49 h ALA 72 N 1.31 -0.68 -0.97 1.57 0.00 -0.78 -2.52 119.26 117.19 1x49 h ALA 72 Ca 0.19 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.16 1x49 h ALA 72 Cb 0.28 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1x49 h ALA 72 CO -0.00 -0.74 0.66 0.00 0.00 0.00 0.00 179.25 179.17 1x49 h ALA 73 N -0.68 2.48 -0.29 0.00 0.00 -1.20 0.25 119.26 119.82 1x49 h ALA 73 Ca -0.07 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1x49 h ALA 73 Cb 0.61 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1x49 h ALA 73 CO 0.11 -0.79 -0.39 0.00 0.00 0.00 0.00 179.25 178.18 1x49 h ALA 74 N 1.58 0.76 -0.47 0.00 0.00 -1.31 -3.10 119.26 116.71 1x49 h ALA 74 Ca 0.51 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1x49 h ALA 74 Cb 1.52 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.10 1x49 h ALA 74 CO -0.15 0.66 -0.18 -0.22 0.00 0.00 0.00 179.25 179.36 1x49 h LYS 75 N 0.57 -0.07 -0.52 0.00 3.64 -0.05 0.30 116.57 120.45 1x49 h LYS 75 Ca 0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1x49 h LYS 75 Cb 0.93 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1x49 h LYS 75 CO 0.08 -0.05 0.18 -0.07 -2.27 0.00 0.00 179.45 177.33 1x49 h LEU 76 N -0.07 0.70 0.58 5.20 3.38 -1.54 -2.16 115.31 121.39 1x49 h LEU 76 Ca 0.23 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1x49 h LEU 76 Cb 0.42 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1x49 h LEU 76 CO -0.52 0.65 -0.28 0.00 0.09 0.00 0.00 178.44 178.38 1x49 h ALA 77 N 1.45 -0.88 -1.02 1.53 0.00 -0.85 -2.87 119.26 116.63 1x49 h ALA 77 Ca 0.18 -0.17 0.26 0.00 0.00 0.00 0.00 54.91 55.17 1x49 h ALA 77 Cb 0.19 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 1x49 h ALA 77 CO -0.01 -0.82 0.62 0.28 0.00 0.00 0.00 179.25 179.31 1x49 h VAL 78 N -1.06 0.51 -0.59 0.00 2.07 -0.50 0.49 116.25 117.17 1x49 h VAL 78 Ca -0.08 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1x49 h VAL 78 Cb 0.59 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1x49 h VAL 78 CO 0.13 0.09 0.37 -0.78 0.02 0.00 0.00 177.57 177.40 1x49 h ASP 79 N 0.52 0.70 0.03 0.57 1.82 -1.37 -2.69 116.42 115.99 1x49 h ASP 79 Ca 0.64 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 57.25 1x49 h ASP 79 Cb 1.34 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.17 1x49 h ASP 79 CO -0.44 0.53 -0.01 0.40 -1.61 0.00 0.00 179.24 178.10 1x49 h ILE 80 N 0.81 1.43 -0.66 2.25 2.04 0.16 -3.34 117.51 120.20 1x49 h ILE 80 Ca 0.21 -1.63 0.09 0.00 1.00 0.00 0.00 64.86 64.53 1x49 h ILE 80 Cb -0.05 2.49 -0.11 0.00 -0.74 0.00 0.00 36.82 38.41 1x49 h ILE 80 CO -0.04 0.40 -0.48 -0.07 0.00 0.00 0.00 178.15 177.96 1x49 h LEU 81 N -0.77 -1.67 -1.26 1.44 3.38 -1.08 0.54 115.31 115.90 1x49 h LEU 81 Ca -0.00 0.27 0.41 0.00 0.09 0.00 0.00 57.88 58.64 1x49 h LEU 81 Cb 0.69 0.75 -0.10 0.00 0.09 0.00 0.00 40.66 42.09 1x49 h LEU 81 CO 0.01 -0.33 0.84 -0.67 0.09 0.00 0.00 178.44 178.38 1x49 n ASP 82 N -5.38 0.12 -0.09 -0.43 2.03 -1.03 0.22 116.55 111.99 1x49 n ASP 82 Ca 0.02 1.02 -0.08 0.00 0.52 0.00 0.00 54.79 56.27 1x49 n ASP 82 Cb 0.34 -0.50 -0.16 0.00 -0.72 0.00 0.00 41.12 40.08 1x49 n ASP 82 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1x49 n ASN 83 N -4.07 0.02 -3.62 1.67 2.85 0.14 -4.99 115.26 107.26 1x49 n ASN 83 Ca 0.33 0.01 -0.27 0.00 -0.11 0.00 0.00 54.58 54.55 1x49 n ASN 83 Cb 1.37 1.07 0.02 0.00 1.24 0.00 0.00 39.78 43.49 1x49 n ASN 83 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1x49 n GLU 84 N -2.71 -5.10 -3.00 1.20 1.02 0.59 -4.88 120.64 107.76 1x49 n GLU 84 Ca -0.30 0.64 -0.44 0.00 -0.02 0.00 0.00 57.16 57.04 1x49 n GLU 84 Cb 1.10 -5.50 0.00 0.00 -0.02 0.00 0.00 31.44 27.02 1x49 n GLU 84 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1x49 n ASN 85 N -2.67 5.28 -4.37 1.62 5.15 -1.26 -4.98 115.26 114.03 1x49 n ASN 85 Ca 0.00 -3.00 -0.61 0.00 -0.60 0.00 0.00 54.58 50.37 1x49 n ASN 85 Cb 0.55 -1.53 -0.11 0.00 -0.53 0.00 0.00 39.78 38.15 1x49 n ASN 85 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1x49 n LYS 86 N 5.02 0.08 -2.86 1.20 5.02 -1.26 -4.89 118.16 120.47 1x49 n LYS 86 Ca 0.35 0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 56.34 1x49 n LYS 86 Cb 0.42 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.81 1x49 n LYS 86 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1x49 s VAL 87 N 5.39 4.60 -0.27 -0.18 -7.23 -1.26 -4.95 120.40 116.50 1x49 s VAL 87 Ca 1.16 1.06 -0.40 0.00 -1.81 0.00 0.00 61.98 61.98 1x49 s VAL 87 Cb -1.46 -3.65 -0.16 0.00 0.56 0.00 0.00 36.38 31.67 1x49 s VAL 87 CO 0.68 -0.38 1.71 -0.90 -0.31 0.00 0.00 175.10 175.90 1x49 n ASP 88 N -0.86 2.27 -4.94 4.85 5.75 -1.26 -4.94 116.55 117.41 1x49 n ASP 88 Ca 0.05 1.08 -0.26 0.00 -0.01 0.00 0.00 54.79 55.65 1x49 n ASP 88 Cb 0.54 -1.13 -0.03 0.00 -1.03 0.00 0.00 41.12 39.47 1x49 n ASP 88 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1x49 n HIS 90 N -0.57 -0.96 0.20 0.00 -0.00 -1.26 -4.88 115.22 107.75 1x49 n HIS 90 Ca -0.07 0.39 0.10 0.00 -0.00 0.00 0.00 57.72 58.14 1x49 n HIS 90 Cb 0.54 -3.11 0.52 0.00 -0.00 0.00 0.00 29.99 27.95 1x49 n HIS 90 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1x49 h THR 91 N -0.86 0.00 -1.79 3.57 1.35 -2.00 -3.42 112.91 109.75 1x49 h THR 91 Ca -0.24 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 65.82 1x49 h THR 91 Cb 1.14 0.43 -0.17 0.00 -1.73 0.00 0.00 68.15 67.81 1x49 h THR 91 CO 0.21 0.00 0.69 -0.94 -0.25 0.00 0.00 175.52 175.23 1x49 s SER 92 N -3.80 -0.23 -0.13 5.36 1.04 -1.26 -5.15 113.70 109.54 1x49 s SER 92 Ca -0.02 0.00 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 1x49 s SER 92 Cb 0.06 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 1x49 s SER 92 CO 0.17 -0.38 0.40 -0.83 0.98 0.00 0.00 173.24 173.59 1x49 s GLY 93 N -2.29 2.33 0.81 7.32 0.00 -1.26 -5.07 107.32 109.16 1x49 s GLY 93 Ca 0.08 -0.29 -0.11 0.00 0.00 0.00 0.00 44.72 44.40 1x49 s GLY 93 CO -0.06 0.60 1.09 2.56 0.00 0.00 0.00 173.10 177.29 1x49 s PRO 94 N 0.44 1.92 0.71 2.90 0.04 -1.26 -5.03 135.00 134.73 1x49 s PRO 94 Ca 0.22 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 1x49 s PRO 94 Cb -0.14 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1x49 s PRO 94 CO 0.08 -1.84 1.07 -1.54 0.04 0.00 0.00 177.00 174.81 1x49 s SER 95 N -3.40 5.18 0.00 6.66 1.04 -1.26 -5.04 113.70 116.88 1x49 s SER 95 Ca 0.62 1.70 -0.14 0.00 0.48 0.00 0.00 55.95 58.60 1x49 s SER 95 Cb -0.17 -2.51 -0.06 0.00 0.10 0.00 0.00 66.02 63.38 1x49 s SER 95 CO 0.56 -1.58 0.40 -0.55 0.98 0.00 0.00 173.24 173.05 1x49 s SER 96 N -3.58 6.79 0.00 7.02 0.15 -1.26 -5.34 113.70 117.48 1x49 s SER 96 Ca 0.59 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.19 1x49 s SER 96 Cb -0.15 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1x49 s SER 96 CO 0.53 0.32 0.00 0.61 1.20 0.00 0.00 173.24 175.91