#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tpk n ASN -2 N 0.00 1.86 0.00 1.61 4.13 -1.26 -5.06 115.26 116.54 1tpk n ASN -2 Ca 0.00 0.01 0.00 0.00 1.68 0.00 0.00 54.58 56.27 1tpk n ASN -2 Cb 0.00 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1tpk n ASN -2 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1tpk n SER -1 N -2.84 0.00 -4.15 6.41 7.64 -1.26 -4.63 113.62 114.78 1tpk n SER -1 Ca -0.04 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.74 1tpk n SER -1 Cb 0.53 -0.02 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 1tpk n SER -1 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1tpk s ASP 0 N 0.00 0.26 0.30 6.43 2.15 -1.26 -5.20 116.67 119.35 1tpk s ASP 0 Ca 0.00 -1.24 -0.16 0.00 0.43 0.00 0.00 52.55 51.58 1tpk s ASP 0 Cb 0.00 0.32 0.02 0.00 -0.30 0.00 0.00 42.92 42.96 1tpk s ASP 0 CO 0.00 -0.76 0.65 0.00 -0.17 0.00 0.00 175.17 174.89 1tpk s TYR 2 N -3.55 2.78 0.04 0.00 -0.85 -0.86 -4.73 117.35 110.18 1tpk s TYR 2 Ca 0.17 -0.11 -0.14 0.00 -0.52 0.00 0.00 57.07 56.46 1tpk s TYR 2 Cb -0.04 -1.59 -0.06 0.00 0.38 0.00 0.00 41.96 40.65 1tpk s TYR 2 CO 0.09 0.30 0.44 -0.06 -1.52 0.00 0.00 175.55 174.81 1tpk s PHE 3 N -0.90 3.71 0.00 -3.49 0.08 -1.26 -1.03 117.98 115.09 1tpk s PHE 3 Ca 0.15 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.20 1tpk s PHE 3 Cb -0.11 -2.30 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 1tpk s PHE 3 CO 0.05 0.60 0.00 0.41 -0.10 0.00 0.00 175.22 176.18 1tpk n GLY 4 N 1.56 2.73 1.21 4.36 0.00 -1.26 -2.02 105.19 111.77 1tpk n GLY 4 Ca -0.12 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 45.72 1tpk n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tpk n ASN 5 N 8.13 3.52 -0.50 1.61 6.94 -1.26 -4.92 115.26 128.78 1tpk n ASN 5 Ca 0.00 -2.10 -0.07 0.00 -0.02 0.00 0.00 54.58 52.40 1tpk n ASN 5 Cb 0.00 -0.44 -0.03 0.00 -2.36 0.00 0.00 39.78 36.95 1tpk n ASN 5 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1tpk n GLY 6 N 1.37 0.87 0.24 4.83 0.00 -0.86 -3.30 105.19 108.35 1tpk n GLY 6 Ca 0.21 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1tpk n GLY 6 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tpk h SER 7 N 0.00 0.00 -0.22 1.61 4.64 -1.78 -2.35 113.55 115.45 1tpk h SER 7 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1tpk h SER 7 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1tpk h SER 7 CO 0.20 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 1tpk n ALA 8 N -2.41 2.50 -2.32 5.18 0.00 -1.26 -4.74 120.51 117.46 1tpk n ALA 8 Ca -0.02 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 1tpk n ALA 8 Cb 0.25 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 1tpk n ALA 8 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1tpk s TYR 9 N -1.72 3.79 -0.03 0.00 5.04 -0.88 -4.92 117.35 118.62 1tpk s TYR 9 Ca 0.30 1.78 0.25 0.00 -2.44 0.00 0.00 57.07 56.96 1tpk s TYR 9 Cb 0.16 -3.07 0.42 0.00 0.35 0.00 0.00 41.96 39.82 1tpk s TYR 9 CO 0.24 0.15 1.16 0.54 -1.34 0.00 0.00 175.55 176.29 1tpk n ARG 10 N 2.92 0.18 -0.15 4.97 5.12 -1.26 -4.78 116.66 123.66 1tpk n ARG 10 Ca 0.03 -2.11 0.00 0.00 -1.93 0.00 0.00 57.85 53.84 1tpk n ARG 10 Cb 0.49 -0.14 0.00 0.00 -1.16 0.00 0.00 32.46 31.65 1tpk n ARG 10 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tpk n GLY 11 N 0.36 -0.57 0.82 -0.13 0.00 -1.26 -5.01 105.19 99.39 1tpk n GLY 11 Ca 0.05 -1.74 0.08 0.00 0.00 0.00 0.00 46.02 44.40 1tpk n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tpk n THR 12 N -1.61 2.26 -2.09 2.61 -2.24 -1.26 -4.59 114.28 107.36 1tpk n THR 12 Ca 0.00 -1.98 -0.41 0.00 -2.27 0.00 0.00 64.05 59.39 1tpk n THR 12 Cb 0.00 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 1tpk n THR 12 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1tpk s HIS 13 N -2.87 3.12 -0.01 4.78 3.76 -1.26 -4.85 115.29 117.96 1tpk s HIS 13 Ca 0.41 1.09 0.16 0.00 -0.15 0.00 0.00 55.06 56.58 1tpk s HIS 13 Cb 0.34 -3.74 0.28 0.00 1.11 0.00 0.00 32.58 30.57 1tpk s HIS 13 CO 0.08 -2.37 1.11 -1.13 -0.85 0.00 0.00 174.74 171.58 1tpk n SER 14 N 2.52 0.74 -4.31 1.40 3.41 -1.26 -0.60 113.62 115.52 1tpk n SER 14 Ca 0.07 -2.13 -0.30 0.00 -0.26 0.00 0.00 58.87 56.25 1tpk n SER 14 Cb 0.41 -0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 63.93 1tpk n SER 14 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1tpk s LEU 15 N -0.25 2.12 0.00 1.04 1.43 -1.26 -1.14 118.68 120.61 1tpk s LEU 15 Ca 0.23 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1tpk s LEU 15 Cb 0.25 -1.24 0.12 0.00 0.03 0.00 0.00 46.19 45.35 1tpk s LEU 15 CO -0.10 0.26 0.81 0.35 0.23 0.00 0.00 176.35 177.90 1tpk n THR 16 N 2.07 0.00 0.27 5.49 -2.24 0.39 -1.54 114.28 118.71 1tpk n THR 16 Ca -0.16 -1.26 0.12 0.00 -2.27 0.00 0.00 64.05 60.47 1tpk n THR 16 Cb 0.52 -0.99 0.74 0.00 -2.10 0.00 0.00 70.33 68.49 1tpk n THR 16 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1tpk h GLU 17 N 0.00 0.00 -0.39 -0.78 5.08 -1.39 -1.75 114.58 115.36 1tpk h GLU 17 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1tpk h GLU 17 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1tpk h GLU 17 CO 0.29 0.09 0.00 -1.13 -1.00 0.00 0.00 179.01 177.26 1tpk n SER 18 N -3.87 2.36 0.00 1.42 3.41 -1.26 -4.92 113.62 110.76 1tpk n SER 18 Ca -0.02 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1tpk n SER 18 Cb 0.19 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1tpk n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tpk n GLY 19 N 1.23 0.56 3.85 5.00 0.00 -0.66 -5.03 105.19 110.14 1tpk n GLY 19 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1tpk n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tpk s ALA 20 N -2.34 3.09 -0.05 4.61 0.00 -1.26 -4.77 121.76 121.03 1tpk s ALA 20 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.98 1tpk s ALA 20 Cb 0.00 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 1tpk s ALA 20 CO 0.00 -0.29 0.27 -1.12 0.00 0.00 0.00 175.76 174.62 1tpk s SER 21 N -3.23 6.58 0.51 0.00 0.01 -1.26 -0.46 113.70 115.84 1tpk s SER 21 Ca 0.58 0.68 -0.23 0.00 1.31 0.00 0.00 55.95 58.29 1tpk s SER 21 Cb -0.10 -2.15 -0.06 0.00 0.21 0.00 0.00 66.02 63.92 1tpk s SER 21 CO 0.34 0.35 1.40 0.00 0.41 0.00 0.00 173.24 175.74 1tpk s LEU 23 N -3.22 4.04 0.41 0.00 1.43 0.01 -4.89 118.68 116.46 1tpk s LEU 23 Ca 0.68 2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 55.51 1tpk s LEU 23 Cb -0.42 -4.32 -0.10 0.00 0.03 0.00 0.00 46.19 41.38 1tpk s LEU 23 CO 0.52 -0.59 1.32 -2.65 0.23 0.00 0.00 176.35 175.19 1tpk n PRO 24 N -0.38 2.09 0.14 1.29 -0.02 -1.26 -4.55 135.00 132.32 1tpk n PRO 24 Ca 0.06 0.74 0.12 0.00 -2.02 0.00 0.00 63.50 62.40 1tpk n PRO 24 Cb 0.51 -2.45 0.53 0.00 -0.02 0.00 0.00 33.50 32.07 1tpk n PRO 24 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1tpk n TRP 25 N -0.06 0.79 -0.43 6.00 7.02 -0.25 -2.14 117.44 128.37 1tpk n TRP 25 Ca 0.05 0.35 0.11 0.00 -1.02 0.00 0.00 57.50 56.99 1tpk n TRP 25 Cb 0.39 -1.06 0.32 0.00 -2.42 0.00 0.00 31.31 28.55 1tpk n TRP 25 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1tpk n ASN 26 N -2.26 4.10 -4.70 -0.99 6.94 -1.23 -1.45 115.26 115.68 1tpk n ASN 26 Ca 0.01 -2.12 -0.44 0.00 -0.02 0.00 0.00 54.58 52.00 1tpk n ASN 26 Cb 0.16 -0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.05 1tpk n ASN 26 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1tpk n SER 27 N 1.42 3.27 0.27 0.53 2.88 -0.91 -4.90 113.62 116.19 1tpk n SER 27 Ca 0.24 1.12 0.15 0.00 -1.33 0.00 0.00 58.87 59.05 1tpk n SER 27 Cb 0.68 -1.49 0.88 0.00 -0.75 0.00 0.00 64.21 63.54 1tpk n SER 27 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1tpk h MET 28 N 5.08 0.00 0.00 -1.46 2.86 -1.93 -2.58 114.93 116.90 1tpk h MET 28 Ca -0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.19 1tpk h MET 28 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 1tpk h MET 28 CO 0.82 0.00 0.00 0.82 1.06 0.00 0.00 176.91 179.61 1tpk h ILE 29 N 0.00 0.00 -0.54 -1.22 2.04 -1.97 -2.91 117.51 112.91 1tpk h ILE 29 Ca 0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1tpk h ILE 29 Cb 0.11 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 1tpk h ILE 29 CO -0.00 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.33 1tpk n LEU 30 N -2.93 3.37 -4.72 1.44 4.77 -0.97 -4.94 117.00 113.01 1tpk n LEU 30 Ca -0.01 -1.69 -0.42 0.00 -0.03 0.00 0.00 56.01 53.86 1tpk n LEU 30 Cb 0.18 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1tpk n LEU 30 CO 0.22 0.71 1.22 -0.63 -1.33 0.00 0.00 177.39 177.57 1tpk s ILE 31 N -1.49 2.60 0.00 -0.08 -1.09 -1.10 -2.26 121.20 117.78 1tpk s ILE 31 Ca 0.39 0.44 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1tpk s ILE 31 Cb 0.22 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 1tpk s ILE 31 CO 0.23 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1tpk n GLY 32 N 3.52 2.63 3.76 6.18 0.00 -1.26 -5.08 105.19 114.93 1tpk n GLY 32 Ca 0.13 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1tpk n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tpk s LYS 33 N 0.00 3.03 -0.04 1.61 3.01 -0.96 -5.02 119.74 121.37 1tpk s LYS 33 Ca 0.00 1.77 -0.08 0.00 -1.01 0.00 0.00 55.97 56.66 1tpk s LYS 33 Cb 0.00 -1.94 -0.29 0.00 -1.01 0.00 0.00 37.83 34.58 1tpk s LYS 33 CO 0.00 -1.15 0.69 0.28 0.51 0.00 0.00 175.35 175.68 1tpk h VAL 34 N 0.91 0.96 -3.01 3.17 2.07 -1.98 -3.40 116.25 114.97 1tpk h VAL 34 Ca -0.50 -2.58 -0.81 0.00 0.82 0.00 0.00 66.70 63.63 1tpk h VAL 34 Cb 1.29 2.73 -0.28 0.00 -1.52 0.00 0.00 31.29 33.51 1tpk h VAL 34 CO 0.55 0.84 0.74 -1.22 0.02 0.00 0.00 177.57 178.50 1tpk n TYR 35 N -3.52 2.66 -4.51 1.57 4.01 -1.26 -4.56 117.16 111.54 1tpk n TYR 35 Ca -0.23 -2.76 -0.28 0.00 -0.16 0.00 0.00 57.90 54.47 1tpk n TYR 35 Cb 1.06 -1.32 -0.05 0.00 -0.31 0.00 0.00 39.34 38.73 1tpk n TYR 35 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1tpk n THR 36 N 1.50 0.00 0.27 -0.72 -2.24 -1.26 -4.98 114.28 106.85 1tpk n THR 36 Ca 0.26 -2.12 0.15 0.00 -2.27 0.00 0.00 64.05 60.07 1tpk n THR 36 Cb 0.34 0.33 0.73 0.00 -2.10 0.00 0.00 70.33 69.62 1tpk n THR 36 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tpk h ALA 37 N 1.12 1.10 -0.22 6.98 0.00 -1.48 -3.04 119.26 123.72 1tpk h ALA 37 Ca -0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1tpk h ALA 37 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1tpk h ALA 37 CO 0.60 0.11 0.00 1.04 0.00 0.00 0.00 179.25 181.00 1tpk n GLN 38 N -3.34 1.72 -2.08 0.00 3.00 -1.26 -4.71 117.38 110.71 1tpk n GLN 38 Ca -0.01 -1.10 -0.40 0.00 -0.01 0.00 0.00 57.00 55.48 1tpk n GLN 38 Cb 0.28 -1.34 -0.02 0.00 0.00 0.00 0.00 30.24 29.16 1tpk n GLN 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1tpk s ASN 39 N -1.37 6.63 0.58 1.08 3.84 -1.15 -4.88 114.94 119.67 1tpk s ASN 39 Ca 0.29 2.71 0.35 0.00 0.21 0.00 0.00 52.86 56.42 1tpk s ASN 39 Cb 0.15 -2.65 1.93 0.00 -0.55 0.00 0.00 41.25 40.13 1tpk s ASN 39 CO 0.22 -0.64 2.08 -0.65 -2.79 0.00 0.00 177.10 175.33 1tpk h PRO 40 N 3.18 0.00 -0.26 0.43 0.11 -1.92 -1.71 132.00 131.83 1tpk h PRO 40 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1tpk h PRO 40 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1tpk h PRO 40 CO 0.65 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.87 1tpk n SER 41 N -2.82 2.77 -0.29 -2.05 7.64 -1.26 -4.75 113.62 112.87 1tpk n SER 41 Ca -0.02 -2.09 0.05 0.00 1.01 0.00 0.00 58.87 57.81 1tpk n SER 41 Cb 0.15 -0.20 0.11 0.00 -1.01 0.00 0.00 64.21 63.25 1tpk n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tpk n ALA 42 N 0.18 0.19 -0.31 -0.43 0.00 -0.64 -0.88 120.51 118.60 1tpk n ALA 42 Ca 0.10 0.87 -0.07 0.00 0.00 0.00 0.00 53.44 54.34 1tpk n ALA 42 Cb 0.42 -0.52 -0.03 0.00 0.00 0.00 0.00 19.45 19.32 1tpk n ALA 42 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1tpk h GLN 42 N 0.00 -0.10 -0.02 0.00 5.75 -1.83 0.31 115.11 119.22 1tpk h GLN 42 Ca 0.38 0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.73 1tpk h GLN 42 Cb 0.58 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 1tpk h GLN 42 CO -0.82 -0.07 -0.72 0.00 -2.65 0.00 0.00 178.83 174.57 1tpk h ALA 43 N 0.80 0.75 0.00 3.38 0.00 -1.37 -3.22 119.26 119.60 1tpk h ALA 43 Ca 0.22 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1tpk h ALA 43 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1tpk h ALA 43 CO -0.84 0.85 -0.30 -0.07 0.00 0.00 0.00 179.25 178.88 1tpk h LEU 44 N 0.08 0.00 0.08 0.00 3.38 -0.76 -3.48 115.31 114.61 1tpk h LEU 44 Ca -0.02 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1tpk h LEU 44 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1tpk h LEU 44 CO 0.10 0.04 -0.02 0.61 0.09 0.00 0.00 178.44 179.27 1tpk n GLY 45 N 1.30 0.41 3.53 0.83 0.00 0.97 -4.71 105.19 107.51 1tpk n GLY 45 Ca 0.04 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1tpk n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tpk s LEU 46 N -0.24 4.54 0.00 0.99 1.43 -0.46 -4.98 118.68 119.96 1tpk s LEU 46 Ca 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1tpk s LEU 46 Cb 0.00 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1tpk s LEU 46 CO 0.00 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.65 1tpk n GLY 47 N 4.95 5.24 2.82 -3.19 0.00 -1.26 -4.35 105.19 109.40 1tpk n GLY 47 Ca -0.06 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1tpk n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tpk n LYS 47 N 0.00 4.24 -3.87 1.61 5.02 -1.26 -3.54 118.16 120.36 1tpk n LYS 47 Ca 0.00 -3.95 -0.07 0.00 -2.02 0.00 0.00 58.31 52.26 1tpk n LYS 47 Cb 0.00 -2.70 -0.02 0.00 -0.02 0.00 0.00 35.03 32.29 1tpk n LYS 47 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 1tpk s HIS 48 N -1.35 -0.10 -0.26 2.13 -3.43 -1.26 -5.03 115.29 106.00 1tpk s HIS 48 Ca 0.39 -0.38 0.11 0.00 -0.80 0.00 0.00 55.06 54.38 1tpk s HIS 48 Cb 0.11 0.68 0.46 0.00 -1.43 0.00 0.00 32.58 32.39 1tpk s HIS 48 CO 0.01 -1.26 1.18 0.27 -2.00 0.00 0.00 174.74 172.94 1tpk n ASN 49 N -0.58 3.64 -4.77 7.38 6.94 -1.26 -1.09 115.26 125.51 1tpk n ASN 49 Ca -0.04 -3.42 -0.38 0.00 -0.02 0.00 0.00 54.58 50.72 1tpk n ASN 49 Cb 0.59 -0.39 -0.06 0.00 -2.36 0.00 0.00 39.78 37.56 1tpk n ASN 49 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1tpk s TYR 50 N -3.40 3.74 0.15 -2.53 2.02 -1.26 -4.46 117.35 111.61 1tpk s TYR 50 Ca 0.44 1.81 -0.31 0.00 -0.37 0.00 0.00 57.07 58.63 1tpk s TYR 50 Cb 0.39 -2.94 -0.11 0.00 -0.40 0.00 0.00 41.96 38.90 1tpk s TYR 50 CO -0.00 0.24 1.73 0.00 -1.57 0.00 0.00 175.55 175.95 1tpk s ARG 52 N 1.98 0.58 -0.53 0.00 1.81 -0.78 -4.72 118.95 117.29 1tpk s ARG 52 Ca 0.76 -1.01 0.04 0.00 -1.72 0.00 0.00 55.73 53.80 1tpk s ARG 52 Cb -0.46 -0.01 0.14 0.00 -0.45 0.00 0.00 34.95 34.17 1tpk s ARG 52 CO 0.34 -0.04 0.30 1.21 -0.68 0.00 0.00 175.30 176.43 1tpk s ASN 53 N -2.34 4.11 0.00 0.23 2.47 -1.26 -1.48 114.94 116.67 1tpk s ASN 53 Ca -0.01 -3.07 0.27 0.00 0.42 0.00 0.00 52.86 50.47 1tpk s ASN 53 Cb -0.00 -1.42 0.81 0.00 -1.45 0.00 0.00 41.25 39.19 1tpk s ASN 53 CO -0.05 -0.21 1.61 -0.81 -3.72 0.00 0.00 177.10 173.92 1tpk n PRO 54 N 2.99 0.53 -0.01 0.43 -0.04 -1.26 -4.45 135.00 133.20 1tpk n PRO 54 Ca 0.10 -0.28 0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1tpk n PRO 54 Cb 0.34 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 1tpk n PRO 54 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1tpk n ASP 55 N -0.99 1.72 -0.02 3.54 5.75 -1.26 -5.00 116.55 120.30 1tpk n ASP 55 Ca 0.11 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1tpk n ASP 55 Cb 0.33 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1tpk n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tpk n GLY 56 N -0.48 0.42 0.00 6.12 0.00 -1.26 -5.05 105.19 104.93 1tpk n GLY 56 Ca 0.01 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1tpk n GLY 56 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tpk n ASP 57 N 1.95 -0.12 0.06 1.61 -0.08 -1.26 -4.99 116.55 113.72 1tpk n ASP 57 Ca 0.00 -0.68 -0.08 0.00 -1.51 0.00 0.00 54.79 52.51 1tpk n ASP 57 Cb 0.49 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.00 1tpk n ASP 57 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1tpk h ALA 58 N -2.00 0.65 -2.84 -1.67 0.00 -1.97 -3.46 119.26 107.96 1tpk h ALA 58 Ca 0.00 -0.61 0.09 0.00 0.00 0.00 0.00 54.91 54.39 1tpk h ALA 58 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 1tpk h ALA 58 CO 0.00 0.77 0.29 -1.59 0.00 0.00 0.00 179.25 178.72 1tpk s LYS 60 N -3.60 1.61 0.32 0.00 -2.85 -1.21 -4.44 119.74 109.56 1tpk s LYS 60 Ca -0.05 -0.87 -0.29 0.00 -1.00 0.00 0.00 55.97 53.77 1tpk s LYS 60 Cb 0.11 0.56 -0.12 0.00 -2.06 0.00 0.00 37.83 36.31 1tpk s LYS 60 CO 0.83 -0.73 1.35 -2.30 0.10 0.00 0.00 175.35 174.59 1tpk n PRO 61 N -0.45 2.17 -4.33 1.78 -0.02 -1.24 -4.76 135.00 128.15 1tpk n PRO 61 Ca -0.05 0.76 -0.19 0.00 -2.02 0.00 0.00 63.50 62.00 1tpk n PRO 61 Cb 0.60 -2.38 -0.09 0.00 -0.02 0.00 0.00 33.50 31.61 1tpk n PRO 61 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1tpk s TRP 62 N -0.79 1.61 0.22 6.00 1.48 -0.55 -0.37 118.94 126.55 1tpk s TRP 62 Ca 0.59 -1.42 -0.19 0.00 -1.06 0.00 0.00 56.10 54.01 1tpk s TRP 62 Cb -0.58 -0.83 0.03 0.00 -1.16 0.00 0.00 33.47 30.94 1tpk s TRP 62 CO 0.59 -0.59 0.61 0.00 -4.06 0.00 0.00 176.95 173.49 1tpk s HIS 64 N -3.88 3.56 0.24 0.00 3.76 -1.26 -1.46 115.29 116.25 1tpk s HIS 64 Ca 0.09 1.74 -0.03 0.00 -0.15 0.00 0.00 55.06 56.71 1tpk s HIS 64 Cb -0.03 -3.07 -0.03 0.00 1.11 0.00 0.00 32.58 30.56 1tpk s HIS 64 CO -0.00 -0.20 0.26 0.14 -0.85 0.00 0.00 174.74 174.09 1tpk s VAL 65 N -1.48 0.00 -0.21 -0.90 -7.23 -0.56 -0.81 120.40 109.21 1tpk s VAL 65 Ca 0.50 -1.83 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1tpk s VAL 65 Cb -0.23 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 1tpk s VAL 65 CO 0.30 0.00 -0.04 -0.76 -0.31 0.00 0.00 175.10 174.28 1tpk s LEU 66 N -3.16 2.96 -0.40 1.32 1.02 -1.26 -1.17 118.68 117.99 1tpk s LEU 66 Ca 0.35 -0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.16 1tpk s LEU 66 Cb 0.04 -1.74 0.11 0.00 0.02 0.00 0.00 46.19 44.62 1tpk s LEU 66 CO 0.14 0.02 0.15 -0.54 0.02 0.00 0.00 176.35 176.14 1tpk s LYS 67 N 1.26 1.80 -0.77 1.70 -0.14 -0.47 -4.73 119.74 118.39 1tpk s LYS 67 Ca 0.03 -1.96 -0.04 0.00 -1.36 0.00 0.00 55.97 52.64 1tpk s LYS 67 Cb -0.14 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.56 1tpk s LYS 67 CO -0.01 -1.02 0.68 0.09 -0.76 0.00 0.00 175.35 174.32 1tpk n ASN 68 N 4.24 -5.75 0.00 2.83 3.02 -1.26 -3.06 115.26 115.29 1tpk n ASN 68 Ca 0.02 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1tpk n ASN 68 Cb 0.41 -4.17 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 1tpk n ASN 68 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1tpk n ARG 69 N -2.61 -0.93 -3.95 3.52 1.74 -1.26 -4.95 116.66 108.22 1tpk n ARG 69 Ca -0.04 0.23 -0.35 0.00 -0.77 0.00 0.00 57.85 56.91 1tpk n ARG 69 Cb 0.58 -4.71 -0.08 0.00 -1.02 0.00 0.00 32.46 27.22 1tpk n ARG 69 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1tpk s ARG 70 N -1.45 3.74 -0.35 5.56 3.52 -1.17 -5.07 118.95 123.74 1tpk s ARG 70 Ca 0.00 -0.26 -0.24 0.00 -0.13 0.00 0.00 55.73 55.10 1tpk s ARG 70 Cb 0.00 -3.20 0.01 0.00 -1.56 0.00 0.00 34.95 30.19 1tpk s ARG 70 CO 0.00 0.49 0.82 -1.17 -0.81 0.00 0.00 175.30 174.63 1tpk s LEU 70 N -0.21 4.08 0.00 -0.88 2.96 -1.26 -1.37 118.68 122.00 1tpk s LEU 70 Ca 0.09 0.52 0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1tpk s LEU 70 Cb -0.12 -3.11 0.00 0.00 0.50 0.00 0.00 46.19 43.47 1tpk s LEU 70 CO 0.01 -0.73 0.00 1.07 -1.32 0.00 0.00 176.35 175.38 1tpk n THR 71 N 5.75 0.00 -4.39 3.68 5.66 -0.31 -5.00 114.28 119.68 1tpk n THR 71 Ca 0.04 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.83 1tpk n THR 71 Cb 0.48 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.17 1tpk n THR 71 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1tpk s TRP 72 N -1.67 1.69 -0.09 1.09 1.48 -1.26 -1.50 118.94 118.68 1tpk s TRP 72 Ca 0.00 -1.38 -0.30 0.00 -1.06 0.00 0.00 56.10 53.36 1tpk s TRP 72 Cb 0.00 -0.94 0.11 0.00 -1.16 0.00 0.00 33.47 31.48 1tpk s TRP 72 CO 0.00 -0.50 0.92 -2.00 -4.06 0.00 0.00 176.95 171.31 1tpk s GLU 73 N -3.72 0.73 0.47 3.25 2.12 -0.53 -4.79 118.70 116.23 1tpk s GLU 73 Ca 0.33 -0.02 -0.20 0.00 0.36 0.00 0.00 54.97 55.44 1tpk s GLU 73 Cb 0.04 0.34 -0.09 0.00 0.26 0.00 0.00 34.13 34.68 1tpk s GLU 73 CO 0.18 -0.27 1.01 0.71 -0.54 0.00 0.00 175.26 176.36 1tpk s TYR 74 N -1.92 3.09 0.34 5.30 2.02 -1.26 -2.07 117.35 122.85 1tpk s TYR 74 Ca -0.00 1.58 -0.03 0.00 -0.37 0.00 0.00 57.07 58.25 1tpk s TYR 74 Cb -0.01 -3.00 -0.04 0.00 -0.40 0.00 0.00 41.96 38.51 1tpk s TYR 74 CO -0.02 -0.64 0.59 0.00 -1.57 0.00 0.00 175.55 173.91 1tpk n ASP 76 N -1.48 2.76 -4.71 0.00 2.03 -0.59 -4.65 116.55 109.91 1tpk n ASP 76 Ca -0.02 -1.83 -0.41 0.00 0.52 0.00 0.00 54.79 53.05 1tpk n ASP 76 Cb 0.55 -0.46 -0.04 0.00 -0.72 0.00 0.00 41.12 40.45 1tpk n ASP 76 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1tpk s VAL 77 N 0.09 4.96 0.47 5.18 1.01 -1.26 -5.02 120.40 125.83 1tpk s VAL 77 Ca 0.00 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.45 1tpk s VAL 77 Cb 0.00 -4.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.14 1tpk s VAL 77 CO 0.00 0.19 1.41 -0.81 0.00 0.00 0.00 175.10 175.89 1tpk n PRO 78 N 3.95 2.13 -2.47 2.72 -0.04 -1.26 -4.84 135.00 135.19 1tpk n PRO 78 Ca 0.02 0.76 -0.37 0.00 -0.04 0.00 0.00 63.50 63.88 1tpk n PRO 78 Cb 0.51 -2.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 1tpk n PRO 78 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1tpk s SER 79 N -0.55 6.64 0.00 3.54 0.15 -1.18 -2.02 113.70 120.28 1tpk s SER 79 Ca 0.63 2.11 0.10 0.00 0.70 0.00 0.00 55.95 59.50 1tpk s SER 79 Cb -0.45 -2.59 0.45 0.00 -1.71 0.00 0.00 66.02 61.73 1tpk s SER 79 CO 0.56 -0.58 1.28 0.00 1.20 0.00 0.00 173.24 175.70 1tpk n SER 81 N -1.42 2.86 0.00 0.00 7.64 -1.26 -5.06 113.62 116.37 1tpk n SER 81 Ca 0.03 -1.91 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1tpk n SER 81 Cb 0.10 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1tpk n SER 81 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44