#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enk h SER 2 N 0.00 -0.03 0.16 1.61 4.64 -2.11 -3.39 113.55 114.44 2enk h SER 2 Ca 0.00 -0.23 -0.22 0.00 -0.47 0.00 0.00 61.79 60.87 2enk h SER 2 Cb 0.00 0.01 0.02 0.00 -0.31 0.00 0.00 62.40 62.12 2enk h SER 2 CO 0.00 0.58 -0.96 0.77 -0.87 0.00 0.00 176.83 176.36 2enk h SER 3 N -1.00 0.54 -5.00 4.97 4.64 -2.10 -3.50 113.55 112.09 2enk h SER 3 Ca -0.00 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 60.37 2enk h SER 3 Cb 0.26 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 2enk h SER 3 CO 0.01 1.46 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 2enk n GLY 4 N 1.68 -1.43 3.65 -0.77 0.00 -1.26 -4.96 105.19 102.10 2enk n GLY 4 Ca -0.15 -2.16 -0.40 0.00 0.00 0.00 0.00 46.02 43.31 2enk n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2enk s SER 5 N -2.88 6.59 0.28 1.61 0.15 -1.26 -5.04 113.70 113.16 2enk s SER 5 Ca 0.00 0.72 -0.29 0.00 0.70 0.00 0.00 55.95 57.07 2enk s SER 5 Cb 0.00 -2.32 -0.10 0.00 -1.71 0.00 0.00 66.02 61.89 2enk s SER 5 CO 0.00 -0.26 1.38 -0.94 1.20 0.00 0.00 173.24 174.62 2enk s SER 6 N 1.27 6.71 0.00 5.45 1.04 -1.26 -4.99 113.70 121.92 2enk s SER 6 Ca 0.26 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.35 2enk s SER 6 Cb -0.16 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2enk s SER 6 CO 0.10 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.30 2enk n GLY 7 N 1.63 2.24 3.64 7.32 0.00 -1.26 -5.17 105.19 113.58 2enk n GLY 7 Ca 0.04 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 2enk n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2enk s LYS 8 N -1.43 2.34 -0.30 1.61 -2.85 -1.26 -5.10 119.74 112.75 2enk s LYS 8 Ca 0.00 -0.95 -0.17 0.00 -1.00 0.00 0.00 55.97 53.85 2enk s LYS 8 Cb 0.00 -2.41 -0.02 0.00 -2.06 0.00 0.00 37.83 33.33 2enk s LYS 8 CO 0.00 0.52 0.46 0.71 0.10 0.00 0.00 175.35 177.13 2enk s TYR 9 N -1.31 3.23 -0.13 1.78 1.51 -1.26 -4.92 117.35 116.24 2enk s TYR 9 Ca 0.24 0.35 0.15 0.00 -1.01 0.00 0.00 57.07 56.80 2enk s TYR 9 Cb -0.11 -2.74 0.33 0.00 -0.11 0.00 0.00 41.96 39.33 2enk s TYR 9 CO 0.16 -0.36 1.17 -2.37 -1.11 0.00 0.00 175.55 173.03 2enk n THR 10 N 5.24 1.62 -0.05 -0.71 5.66 -1.26 -4.72 114.28 120.06 2enk n THR 10 Ca -0.06 -2.30 -0.08 0.00 -3.05 0.00 0.00 64.05 58.57 2enk n THR 10 Cb 0.50 -0.03 -0.04 0.00 -1.55 0.00 0.00 70.33 69.21 2enk n THR 10 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2enk n GLN 11 N -0.94 0.24 -4.28 1.09 1.13 -1.26 -5.07 117.38 108.29 2enk n GLN 11 Ca 0.14 0.06 -0.15 0.00 -1.94 0.00 0.00 57.00 55.12 2enk n GLN 11 Cb 0.72 -1.14 -0.10 0.00 0.11 0.00 0.00 30.24 29.83 2enk n GLN 11 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2enk s ASN 12 N -5.14 1.55 -1.00 1.08 3.84 -1.26 -5.05 114.94 108.95 2enk s ASN 12 Ca -0.14 -1.17 -0.05 0.00 0.21 0.00 0.00 52.86 51.72 2enk s ASN 12 Cb 0.04 0.06 0.08 0.00 -0.55 0.00 0.00 41.25 40.87 2enk s ASN 12 CO 0.22 -0.51 2.59 -3.20 -2.79 0.00 0.00 177.10 173.41 2enk n ASN 13 N -0.31 7.46 -4.32 -4.21 5.15 -1.26 -4.91 115.26 112.87 2enk n ASN 13 Ca -0.06 -3.11 -0.31 0.00 -0.60 0.00 0.00 54.58 50.49 2enk n ASN 13 Cb 0.63 -1.33 -0.16 0.00 -0.53 0.00 0.00 39.78 38.39 2enk n ASN 13 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2enk s PHE 14 N -1.10 2.42 -0.01 1.20 0.40 -1.26 -4.28 117.98 115.35 2enk s PHE 14 Ca 0.57 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 56.42 2enk s PHE 14 Cb 0.25 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 2enk s PHE 14 CO -0.13 -0.08 -0.08 -1.50 0.70 0.00 0.00 175.22 174.13 2enk s ILE 15 N -0.45 3.57 0.56 0.64 2.07 -0.81 -4.91 121.20 121.87 2enk s ILE 15 Ca 0.05 -0.74 -0.19 0.00 -1.41 0.00 0.00 60.65 58.36 2enk s ILE 15 Cb -0.12 -2.52 -0.05 0.00 0.13 0.00 0.00 42.46 39.90 2enk s ILE 15 CO 0.01 0.44 1.17 0.42 -1.91 0.00 0.00 174.94 175.07 2enk s THR 16 N -0.94 2.91 0.03 4.00 -4.23 -1.26 -2.06 115.64 114.09 2enk s THR 16 Ca 0.16 0.58 -0.14 0.00 -1.18 0.00 0.00 61.69 61.10 2enk s THR 16 Cb -0.11 -3.24 -0.07 0.00 1.34 0.00 0.00 72.50 70.42 2enk s THR 16 CO 0.06 -0.11 1.22 1.23 -0.54 0.00 0.00 174.62 176.48 2enk h GLY 17 N 1.13 -0.81 0.24 3.99 0.00 -1.90 -2.08 103.07 103.64 2enk h GLY 17 Ca -0.50 0.35 0.15 0.00 0.00 0.00 0.00 47.33 47.33 2enk h GLY 17 CO 0.56 -0.28 0.53 -2.08 0.00 0.00 0.00 176.54 175.27 2enk h VAL 18 N -0.45 0.76 -0.42 4.60 2.07 -1.93 0.20 116.25 121.07 2enk h VAL 18 Ca -0.03 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 67.35 2enk h VAL 18 Cb 0.37 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 2enk h VAL 18 CO 0.01 0.13 0.30 0.03 0.02 0.00 0.00 177.57 178.07 2enk h ARG 19 N 0.74 0.04 0.00 1.57 2.47 -1.90 0.18 114.38 117.48 2enk h ARG 19 Ca 0.51 -0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 59.01 2enk h ARG 19 Cb 0.70 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.97 2enk h ARG 19 CO -0.35 0.03 -1.23 0.00 0.56 0.00 0.00 179.97 178.98 2enk h ALA 20 N 1.79 0.59 0.00 0.04 0.00 0.08 -2.87 119.26 118.88 2enk h ALA 20 Ca 0.20 -1.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.03 2enk h ALA 20 Cb 0.74 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2enk h ALA 20 CO -0.01 1.21 -0.33 0.82 0.00 0.00 0.00 179.25 180.94 2enk h ILE 21 N 0.00 0.80 0.00 0.00 2.04 -0.06 0.22 117.51 120.51 2enk h ILE 21 Ca -0.12 -1.39 -0.19 0.00 1.00 0.00 0.00 64.86 64.15 2enk h ILE 21 Cb 1.76 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 39.68 2enk h ILE 21 CO 0.09 0.32 -1.59 0.59 0.00 0.00 0.00 178.15 177.57 2enk n ASN 22 N -3.51 0.72 -0.07 1.72 3.02 -0.59 -2.72 115.26 113.83 2enk n ASN 22 Ca -0.00 0.32 -0.05 0.00 -0.03 0.00 0.00 54.58 54.82 2enk n ASN 22 Cb 0.48 0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.96 2enk n ASN 22 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2enk h GLU 23 N 0.00 0.00 0.00 3.52 4.39 -1.40 -3.38 114.58 117.72 2enk h GLU 23 Ca -0.21 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.49 2enk h GLU 23 Cb 1.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.32 2enk h GLU 23 CO 0.05 0.06 0.00 0.74 -1.16 0.00 0.00 179.01 178.70 2enk h PHE 24 N -1.00 0.00 -5.52 4.33 -1.00 -0.78 -3.47 116.94 109.50 2enk h PHE 24 Ca -0.02 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.52 2enk h PHE 24 Cb 0.48 0.00 0.17 0.00 3.61 0.00 0.00 35.95 40.21 2enk h PHE 24 CO -0.16 0.00 -0.77 0.00 -1.61 0.00 0.00 178.31 175.76 2enk n LEU 26 N -3.15 0.00 -4.78 0.00 4.77 -1.19 -5.04 117.00 107.62 2enk n LEU 26 Ca -0.07 -0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 55.39 2enk n LEU 26 Cb 0.60 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 2enk n LEU 26 CO 0.59 -0.23 -0.20 -0.54 -1.33 0.00 0.00 177.39 175.67 2enk s LYS 27 N -2.22 2.78 0.35 3.23 3.01 -1.26 -4.89 119.74 120.73 2enk s LYS 27 Ca 0.02 -1.14 0.04 0.00 -1.01 0.00 0.00 55.97 53.88 2enk s LYS 27 Cb -0.00 -2.47 0.64 0.00 -1.01 0.00 0.00 37.83 34.99 2enk s LYS 27 CO 0.02 0.39 1.94 0.77 0.51 0.00 0.00 175.35 178.97 2enk h SER 28 N 1.58 0.57 0.72 2.83 0.02 -2.00 -1.61 113.55 115.66 2enk h SER 28 Ca -0.47 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.33 2enk h SER 28 Cb 1.24 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2enk h SER 28 CO 0.61 0.53 -0.36 0.28 -1.14 0.00 0.00 176.83 176.75 2enk h SER 29 N 0.63 0.00 0.14 3.07 0.02 -1.99 -2.83 113.55 112.59 2enk h SER 29 Ca 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2enk h SER 29 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 2enk h SER 29 CO -0.01 0.36 -0.07 0.44 -1.14 0.00 0.00 176.83 176.41 2enk h ASP 30 N 0.00 -0.16 -0.10 3.07 5.19 -1.71 -2.89 116.42 119.82 2enk h ASP 30 Ca -0.00 -0.39 0.04 0.00 -0.62 0.00 0.00 57.03 56.06 2enk h ASP 30 Cb 0.82 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.32 2enk h ASP 30 CO 0.05 0.39 -0.22 -0.07 -3.12 0.00 0.00 179.24 176.27 2enk h LEU 31 N -0.82 -0.69 -2.04 1.55 -0.00 -1.47 0.03 115.31 111.87 2enk h LEU 31 Ca -0.02 0.11 0.12 0.00 -0.00 0.00 0.00 57.88 58.09 2enk h LEU 31 Cb 0.54 0.30 -0.02 0.00 -0.00 0.00 0.00 40.66 41.48 2enk h LEU 31 CO 0.03 -0.28 0.34 1.05 -0.00 0.00 0.00 178.44 179.59 2enk h GLU 32 N -0.30 0.00 0.00 1.13 4.11 -1.61 0.21 114.58 118.12 2enk h GLU 32 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.49 2enk h GLU 32 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2enk h GLU 32 CO -0.27 0.00 -0.14 0.37 0.07 0.00 0.00 179.01 179.04 2enk h GLN 33 N 0.00 0.00 0.00 1.06 4.15 -0.76 -3.44 115.11 116.12 2enk h GLN 33 Ca 0.20 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.39 2enk h GLN 33 Cb 0.88 0.00 0.11 0.00 0.21 0.00 0.00 27.48 28.68 2enk h GLN 33 CO -0.00 0.14 0.16 1.28 -1.93 0.00 0.00 178.83 178.47 2enk n LEU 34 N -3.85 0.00 -4.61 -2.39 4.77 0.75 -4.92 117.00 106.74 2enk n LEU 34 Ca -0.02 -0.75 -0.43 0.00 -0.03 0.00 0.00 56.01 54.78 2enk n LEU 34 Cb 0.24 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 2enk n LEU 34 CO 0.32 -1.34 1.47 -0.60 -1.33 0.00 0.00 177.39 175.91 2enk s ARG 35 N -4.54 3.57 -1.18 3.23 3.52 -1.26 -4.92 118.95 117.37 2enk s ARG 35 Ca 0.42 1.59 -0.15 0.00 -0.13 0.00 0.00 55.73 57.46 2enk s ARG 35 Cb -0.02 -4.13 0.16 0.00 -1.56 0.00 0.00 34.95 29.40 2enk s ARG 35 CO 0.31 -1.58 1.41 0.15 -0.81 0.00 0.00 175.30 174.78 2enk s LYS 36 N 5.19 4.03 0.50 5.12 1.02 -1.26 -4.66 119.74 129.67 2enk s LYS 36 Ca 0.77 -2.45 0.23 0.00 0.02 0.00 0.00 55.97 54.53 2enk s LYS 36 Cb -0.25 -5.07 1.30 0.00 -0.52 0.00 0.00 37.83 33.30 2enk s LYS 36 CO 0.32 -1.79 2.05 0.82 -0.92 0.00 0.00 175.35 175.83 2enk h ILE 37 N 4.85 0.77 -5.52 2.17 5.03 -1.92 -3.48 117.51 119.41 2enk h ILE 37 Ca 0.30 -0.56 -0.02 0.00 -0.12 0.00 0.00 64.86 64.46 2enk h ILE 37 Cb 0.89 1.34 0.00 0.00 -3.03 0.00 0.00 36.82 36.02 2enk h ILE 37 CO 1.24 0.14 -0.95 0.54 -0.68 0.00 0.00 178.15 178.44 2enk n ARG 38 N -3.89 -2.53 -2.70 2.37 5.12 -1.26 -4.88 116.66 108.89 2enk n ARG 38 Ca -0.02 2.17 -0.43 0.00 -1.93 0.00 0.00 57.85 57.64 2enk n ARG 38 Cb 0.24 -4.23 -0.03 0.00 -1.16 0.00 0.00 32.46 27.28 2enk n ARG 38 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2enk s ARG 39 N -1.66 3.85 0.56 5.56 1.81 -1.26 -4.97 118.95 122.85 2enk s ARG 39 Ca 0.05 0.69 -0.20 0.00 -1.72 0.00 0.00 55.73 54.55 2enk s ARG 39 Cb -0.01 -3.82 -0.05 0.00 -0.45 0.00 0.00 34.95 30.61 2enk s ARG 39 CO 0.61 -1.08 1.10 2.89 -0.68 0.00 0.00 175.30 178.14 2enk n ARG 40 N 7.13 1.20 -3.28 3.54 1.85 -1.26 -4.70 116.66 121.14 2enk n ARG 40 Ca 0.10 0.45 -0.25 0.00 -1.00 0.00 0.00 57.85 57.15 2enk n ARG 40 Cb 0.48 -2.29 -0.08 0.00 -1.05 0.00 0.00 32.46 29.53 2enk n ARG 40 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2enk n SER 41 N -0.72 1.08 -3.56 2.89 7.64 -1.26 -5.11 113.62 114.58 2enk n SER 41 Ca 0.12 -2.87 -0.30 0.00 1.01 0.00 0.00 58.87 56.84 2enk n SER 41 Cb 0.45 -0.64 0.25 0.00 -1.01 0.00 0.00 64.21 63.26 2enk n SER 41 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2enk n PRO 42 N 1.39 -3.15 -2.97 1.43 -0.04 -1.26 -4.45 135.00 125.95 2enk n PRO 42 Ca 0.24 -1.75 -0.14 0.00 -0.04 0.00 0.00 63.50 61.81 2enk n PRO 42 Cb 0.49 -1.64 0.02 0.00 -0.04 0.00 0.00 33.50 32.33 2enk n PRO 42 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2enk n HIS 43 N -4.87 -3.35 -1.24 0.54 8.25 -1.26 -4.79 115.22 108.51 2enk n HIS 43 Ca 0.15 1.36 0.17 0.00 -0.26 0.00 0.00 57.72 59.14 2enk n HIS 43 Cb 0.59 -3.68 -0.04 0.00 1.12 0.00 0.00 29.99 27.98 2enk n HIS 43 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2enk n GLU 44 N -0.29 -2.50 -3.71 -0.41 1.02 -1.26 -4.89 120.64 108.60 2enk n GLU 44 Ca 0.08 1.66 -0.26 0.00 -0.02 0.00 0.00 57.16 58.62 2enk n GLU 44 Cb 0.50 -3.05 0.06 0.00 -0.02 0.00 0.00 31.44 28.94 2enk n GLU 44 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2enk n ASP 45 N -3.79 -5.48 -4.55 1.62 9.92 -1.26 -4.86 116.55 108.15 2enk n ASP 45 Ca 0.01 -0.64 -0.38 0.00 -0.53 0.00 0.00 54.79 53.25 2enk n ASP 45 Cb 0.56 -4.61 -0.03 0.00 -0.64 0.00 0.00 41.12 36.41 2enk n ASP 45 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2enk s THR 46 N -3.33 3.39 0.22 -3.53 2.01 -1.26 -4.90 115.64 108.24 2enk s THR 46 Ca 0.57 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.59 2enk s THR 46 Cb -0.27 -4.01 0.00 0.00 0.01 0.00 0.00 72.50 68.23 2enk s THR 46 CO 0.77 -0.98 0.45 -1.61 -0.69 0.00 0.00 174.62 172.56 2enk s GLU 47 N 6.95 1.43 -0.65 4.92 0.41 -1.26 -5.11 118.70 125.39 2enk s GLU 47 Ca 0.65 -1.15 -0.27 0.00 -0.41 0.00 0.00 54.97 53.79 2enk s GLU 47 Cb -0.12 0.46 0.03 0.00 -1.78 0.00 0.00 34.13 32.73 2enk s GLU 47 CO 0.18 -0.59 1.21 -1.12 -0.49 0.00 0.00 175.26 174.45 2enk s SER 48 N -2.97 6.32 0.24 -0.19 0.01 -1.26 -4.85 113.70 111.00 2enk s SER 48 Ca 0.18 -0.16 0.07 0.00 1.31 0.00 0.00 55.95 57.35 2enk s SER 48 Cb -0.00 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2enk s SER 48 CO 0.05 -1.62 0.14 0.12 0.41 0.00 0.00 173.24 172.34 2enk s PHE 49 N 5.21 3.02 -0.22 2.43 5.36 -1.26 -5.13 117.98 127.39 2enk s PHE 49 Ca 0.39 -0.12 -0.14 0.00 -0.96 0.00 0.00 56.93 56.10 2enk s PHE 49 Cb -0.08 -1.38 0.07 0.00 -0.34 0.00 0.00 43.02 41.29 2enk s PHE 49 CO 0.21 0.54 0.56 0.99 -1.46 0.00 0.00 175.22 176.05 2enk s THR 50 N -2.10 -0.01 0.28 0.12 2.01 -1.26 -4.17 115.64 110.51 2enk s THR 50 Ca 0.32 0.04 0.12 0.00 0.31 0.00 0.00 61.69 62.47 2enk s THR 50 Cb -0.08 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.58 2enk s THR 50 CO 0.23 0.02 -0.16 0.68 -0.69 0.00 0.00 174.62 174.70 2enk s VAL 51 N 1.31 2.66 0.27 3.82 -7.23 -1.26 -3.09 120.40 116.88 2enk s VAL 51 Ca -0.08 -2.31 0.02 0.00 -1.81 0.00 0.00 61.98 57.80 2enk s VAL 51 Cb -0.06 -2.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 2enk s VAL 51 CO -0.13 -0.39 0.16 -0.31 -0.31 0.00 0.00 175.10 174.11 2enk s TYR 52 N -2.48 1.50 -0.15 2.82 2.02 -0.87 -3.93 117.35 116.25 2enk s TYR 52 Ca 0.30 -1.38 -0.11 0.00 -0.37 0.00 0.00 57.07 55.51 2enk s TYR 52 Cb -0.05 -0.77 -0.05 0.00 -0.40 0.00 0.00 41.96 40.69 2enk s TYR 52 CO 0.16 -0.57 0.20 -1.17 -1.57 0.00 0.00 175.55 172.60 2enk s LEU 53 N -3.31 4.29 0.32 -1.29 0.20 -1.26 -1.92 118.68 115.70 2enk s LEU 53 Ca 0.37 0.43 0.06 0.00 0.69 0.00 0.00 54.13 55.68 2enk s LEU 53 Cb 0.06 -2.21 0.71 0.00 -0.43 0.00 0.00 46.19 44.31 2enk s LEU 53 CO 0.17 0.23 1.84 -0.09 -0.29 0.00 0.00 176.35 178.21 2enk h ARG 54 N 6.07 0.80 -0.38 1.98 2.43 -1.92 0.14 114.38 123.50 2enk h ARG 54 Ca -0.46 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 2enk h ARG 54 Cb 1.18 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 2enk h ARG 54 CO 0.70 0.53 -0.14 0.66 -1.51 0.00 0.00 179.97 180.21 2enk h SER 55 N 0.82 0.67 0.07 -3.80 4.64 -1.94 -1.29 113.55 112.72 2enk h SER 55 Ca 0.49 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2enk h SER 55 Cb 0.66 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2enk h SER 55 CO -0.25 0.83 -0.03 0.44 -0.87 0.00 0.00 176.83 176.95 2enk h ASP 56 N 0.62 -0.07 -0.58 4.97 3.32 -1.40 -3.24 116.42 120.04 2enk h ASP 56 Ca 0.10 -0.53 0.06 0.00 0.02 0.00 0.00 57.03 56.68 2enk h ASP 56 Cb 0.59 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 2enk h ASP 56 CO 0.04 0.54 0.38 0.58 -1.72 0.00 0.00 179.24 179.07 2enk h VAL 57 N -0.75 0.99 -0.04 -1.35 2.07 -0.82 -2.42 116.25 113.94 2enk h VAL 57 Ca -0.01 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2enk h VAL 57 Cb 0.60 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2enk h VAL 57 CO 0.01 0.10 -0.20 -0.08 0.02 0.00 0.00 177.57 177.42 2enk h GLU 58 N 0.54 -0.29 -0.75 1.57 4.81 -1.26 -2.03 114.58 117.16 2enk h GLU 58 Ca 0.25 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2enk h GLU 58 Cb 0.30 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2enk h GLU 58 CO -0.07 -0.20 0.38 0.00 -0.73 0.00 0.00 179.01 178.39 2enk h ALA 59 N 0.61 1.25 -0.26 2.92 0.00 -1.47 -1.78 119.26 120.53 2enk h ALA 59 Ca 0.07 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2enk h ALA 59 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2enk h ALA 59 CO -0.21 0.59 0.25 -0.22 0.00 0.00 0.00 179.25 179.65 2enk h LYS 60 N 1.06 0.00 0.00 0.00 1.63 -0.99 0.23 116.57 118.50 2enk h LYS 60 Ca 0.26 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.91 2enk h LYS 60 Cb 0.08 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 2enk h LYS 60 CO -0.04 0.00 -0.84 0.66 -3.45 0.00 0.00 179.45 175.79 2enk h SER 61 N 0.00 0.00 0.63 4.20 4.64 -0.89 -3.04 113.55 119.09 2enk h SER 61 Ca 0.12 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.17 2enk h SER 61 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 2enk h SER 61 CO -0.00 0.64 -1.38 -0.07 -0.87 0.00 0.00 176.83 175.15 2enk h LEU 62 N 0.00 0.23 -0.74 5.97 3.38 -0.56 -2.36 115.31 121.23 2enk h LEU 62 Ca -0.05 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2enk h LEU 62 Cb 1.53 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2enk h LEU 62 CO 0.08 1.25 -0.36 1.05 0.09 0.00 0.00 178.44 180.54 2enk h GLU 63 N 0.04 0.00 0.00 1.13 -0.00 -0.93 -0.94 114.58 113.88 2enk h GLU 63 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.19 2enk h GLU 63 Cb 1.94 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.69 2enk h GLU 63 CO 0.15 0.36 0.00 0.28 -0.00 0.00 0.00 179.01 179.80 2enk n VAL 64 N -3.41 0.00 0.29 -1.06 0.31 -1.15 -4.46 118.33 108.85 2enk n VAL 64 Ca 0.00 0.35 0.14 0.00 -0.01 0.00 0.00 64.34 64.82 2enk n VAL 64 Cb 0.54 -1.21 0.87 0.00 -0.91 0.00 0.00 33.84 33.13 2enk n VAL 64 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2enk h TRP 65 N 0.00 0.00 0.00 3.52 4.06 -1.60 -3.46 115.95 118.47 2enk h TRP 65 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2enk h TRP 65 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2enk h TRP 65 CO 0.00 0.01 0.00 0.41 -3.56 0.00 0.00 178.44 175.30 2enk n GLY 66 N -1.32 2.64 3.40 1.49 0.00 -0.36 -4.93 105.19 106.12 2enk n GLY 66 Ca -0.03 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2enk n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2enk s SER 67 N 0.15 -0.43 0.54 1.61 1.04 -1.22 -4.73 113.70 110.66 2enk s SER 67 Ca 0.00 -0.15 0.32 0.00 0.48 0.00 0.00 55.95 56.60 2enk s SER 67 Cb 0.00 0.56 1.34 0.00 0.10 0.00 0.00 66.02 68.02 2enk s SER 67 CO 0.00 -0.95 1.98 1.55 0.98 0.00 0.00 173.24 176.80 2enk h PRO 68 N 2.13 0.00 -0.24 4.02 0.13 -1.91 -3.08 132.00 133.06 2enk h PRO 68 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 2enk h PRO 68 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 2enk h PRO 68 CO 0.40 0.04 -0.23 1.49 -0.23 0.00 0.00 178.00 179.48 2enk h GLU 69 N 0.00 0.57 -0.92 0.86 4.81 -1.97 -1.37 114.58 116.55 2enk h GLU 69 Ca -0.00 -0.30 0.13 0.00 -0.13 0.00 0.00 59.36 59.06 2enk h GLU 69 Cb 0.52 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 2enk h GLU 69 CO 0.01 0.89 0.59 0.00 -0.73 0.00 0.00 179.01 179.77 2enk h ALA 70 N 0.67 1.72 0.14 2.92 0.00 -1.89 -1.56 119.26 121.26 2enk h ALA 70 Ca 0.04 0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.66 2enk h ALA 70 Cb 0.78 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.45 2enk h ALA 70 CO 0.06 0.05 -1.27 1.25 0.00 0.00 0.00 179.25 179.33 2enk h LEU 71 N 0.80 0.87 -2.06 0.00 5.85 -1.64 -3.24 115.31 115.90 2enk h LEU 71 Ca 0.46 -0.84 0.08 0.00 0.84 0.00 0.00 57.88 58.42 2enk h LEU 71 Cb 0.62 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2enk h LEU 71 CO -0.22 1.63 0.22 0.00 -0.34 0.00 0.00 178.44 179.73 2enk h ALA 72 N 0.25 2.18 -0.72 1.25 0.00 -0.36 -0.77 119.26 121.09 2enk h ALA 72 Ca -0.20 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.84 2enk h ALA 72 Cb 1.95 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.72 2enk h ALA 72 CO 0.24 -0.37 0.48 0.00 0.00 0.00 0.00 179.25 179.61 2enk h ARG 73 N 0.00 0.38 0.01 0.00 2.47 -1.34 0.22 114.38 116.11 2enk h ARG 73 Ca 0.14 -0.02 -0.32 0.00 -1.26 0.00 0.00 59.98 58.51 2enk h ARG 73 Cb 0.58 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.76 2enk h ARG 73 CO -0.00 0.25 -1.94 0.39 0.56 0.00 0.00 179.97 179.22 2enk n GLU 74 N -4.47 0.66 -0.03 0.04 -0.58 -0.34 -4.16 120.64 111.76 2enk n GLU 74 Ca 0.13 0.21 -0.04 0.00 -0.42 0.00 0.00 57.16 57.04 2enk n GLU 74 Cb 0.52 -1.70 0.18 0.00 -0.57 0.00 0.00 31.44 29.86 2enk n GLU 74 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2enk h LYS 75 N 0.01 0.59 -0.41 3.49 1.57 -0.75 -2.74 116.57 118.32 2enk h LYS 75 Ca -0.38 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.17 2enk h LYS 75 Cb 2.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.32 2enk h LYS 75 CO 0.06 0.75 0.16 -0.22 -0.57 0.00 0.00 179.45 179.63 2enk h LYS 76 N 0.53 0.58 0.57 3.15 3.64 -0.78 -1.40 116.57 122.86 2enk h LYS 76 Ca 0.08 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2enk h LYS 76 Cb 0.63 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2enk h LYS 76 CO 0.04 0.49 -0.27 -0.07 -2.27 0.00 0.00 179.45 177.37 2enk h LEU 77 N 0.58 -0.64 -1.66 5.20 -0.00 -1.65 -2.22 115.31 114.93 2enk h LEU 77 Ca 0.14 0.02 0.12 0.00 -0.00 0.00 0.00 57.88 58.17 2enk h LEU 77 Cb 0.12 0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.91 2enk h LEU 77 CO -0.01 -0.44 0.43 0.08 -0.00 0.00 0.00 178.44 178.50 2enk h ARG 78 N -0.80 0.36 -0.12 1.13 0.11 -1.53 -1.67 114.38 111.85 2enk h ARG 78 Ca -0.08 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 60.00 2enk h ARG 78 Cb 0.58 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.56 2enk h ARG 78 CO 0.13 0.24 -0.00 -0.22 0.10 0.00 0.00 179.97 180.21 2enk h LYS 79 N 0.37 0.04 0.00 0.08 3.64 -1.09 -1.91 116.57 117.69 2enk h LYS 79 Ca 0.30 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.62 2enk h LYS 79 Cb 0.69 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 2enk h LYS 79 CO -0.08 0.02 -0.32 0.93 -2.27 0.00 0.00 179.45 177.74 2enk h GLU 80 N 0.04 0.00 0.07 1.90 4.39 -0.69 -3.03 114.58 117.25 2enk h GLU 80 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2enk h GLU 80 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2enk h GLU 80 CO -0.10 0.32 -0.03 0.00 -1.16 0.00 0.00 179.01 178.04 2enk h ALA 81 N 1.68 -0.09 -0.39 3.43 0.00 -0.74 -1.98 119.26 121.18 2enk h ALA 81 Ca -0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2enk h ALA 81 Cb 0.58 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2enk h ALA 81 CO 0.04 -0.51 0.17 0.93 0.00 0.00 0.00 179.25 179.88 2enk h GLU 82 N -0.16 0.35 -0.90 0.00 5.08 -1.30 -2.08 114.58 115.57 2enk h GLU 82 Ca -0.01 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.42 2enk h GLU 82 Cb 0.13 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 2enk h GLU 82 CO 0.01 0.23 0.55 0.82 -1.00 0.00 0.00 179.01 179.63 2enk h ILE 83 N 0.36 0.97 0.00 3.13 2.04 -1.41 0.61 117.51 123.21 2enk h ILE 83 Ca 0.17 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2enk h ILE 83 Cb 0.10 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 2enk h ILE 83 CO -0.14 0.17 -0.16 -0.33 0.00 0.00 0.00 178.15 177.70 2enk h GLU 84 N 0.94 0.00 0.07 2.37 4.39 -0.70 -0.54 114.58 121.12 2enk h GLU 84 Ca 0.42 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.12 2enk h GLU 84 Cb 0.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2enk h GLU 84 CO -0.22 0.16 -0.04 -0.92 -1.16 0.00 0.00 179.01 176.83 2enk h TYR 85 N 0.00 -0.09 -0.16 4.33 3.20 -0.41 -3.30 116.97 120.54 2enk h TYR 85 Ca -0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2enk h TYR 85 Cb 0.37 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 2enk h TYR 85 CO 0.00 -0.06 0.14 0.07 -1.64 0.00 0.00 178.16 176.68 2enk h ARG 86 N -0.91 0.00 0.10 1.82 0.11 -1.23 -2.93 114.38 111.34 2enk h ARG 86 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2enk h ARG 86 Cb 0.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 2enk h ARG 86 CO 0.02 0.00 -0.09 0.93 0.10 0.00 0.00 179.97 180.93 2enk h GLU 87 N 0.00 -0.18 -0.81 0.08 4.39 -1.20 0.47 114.58 117.34 2enk h GLU 87 Ca 0.08 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.00 2enk h GLU 87 Cb 0.36 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2enk h GLU 87 CO -0.00 -0.12 0.57 0.07 -1.16 0.00 0.00 179.01 178.37 2enk h ARG 88 N -0.19 0.13 -0.48 2.33 0.11 -1.60 0.15 114.38 114.83 2enk h ARG 88 Ca -0.01 -0.01 -0.11 0.00 0.10 0.00 0.00 59.98 59.95 2enk h ARG 88 Cb 0.16 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 2enk h ARG 88 CO -0.01 0.08 -0.13 -0.07 0.10 0.00 0.00 179.97 179.94 2enk h LEU 89 N 0.13 0.91 -0.85 0.08 3.38 -1.26 -2.98 115.31 114.72 2enk h LEU 89 Ca 0.40 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 58.17 2enk h LEU 89 Cb 1.38 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2enk h LEU 89 CO -0.06 1.05 0.49 0.15 0.09 0.00 0.00 178.44 180.16 2enk h PHE 90 N 0.81 0.89 -1.00 1.13 3.57 0.16 -1.06 116.94 121.44 2enk h PHE 90 Ca 0.13 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.71 2enk h PHE 90 Cb 0.67 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 2enk h PHE 90 CO 0.04 0.35 0.65 0.00 -2.23 0.00 0.00 178.31 177.12 2enk h ARG 91 N 0.81 1.16 -0.88 1.11 3.08 -1.47 -1.48 114.38 116.72 2enk h ARG 91 Ca 0.42 -0.07 0.11 0.00 0.07 0.00 0.00 59.98 60.50 2enk h ARG 91 Cb 0.40 -0.26 -0.06 0.00 0.08 0.00 0.00 29.97 30.12 2enk h ARG 91 CO -0.26 0.77 0.57 -0.97 -1.07 0.00 0.00 179.97 179.01 2enk h ASN 92 N 1.20 0.74 0.16 7.04 -1.24 -1.21 -0.35 115.58 121.91 2enk h ASN 92 Ca 0.42 0.03 -0.12 0.00 0.71 0.00 0.00 56.30 57.33 2enk h ASN 92 Cb 0.11 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 2enk h ASN 92 CO -0.16 0.43 -0.44 1.56 -1.29 0.00 0.00 177.43 177.52 2enk h GLN 93 N 0.82 0.36 -2.07 6.67 1.08 -1.20 -3.43 115.11 117.33 2enk h GLN 93 Ca 0.41 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 57.40 2enk h GLN 93 Cb 0.49 0.01 -0.25 0.00 -0.05 0.00 0.00 27.48 27.67 2enk h GLN 93 CO -0.18 0.74 -0.30 -1.59 -0.95 0.00 0.00 178.83 176.54 2enk s LYS 94 N -4.11 0.43 0.43 1.46 -2.85 -0.16 -5.02 119.74 109.92 2enk s LYS 94 Ca -0.05 1.08 0.14 0.00 -1.00 0.00 0.00 55.97 56.13 2enk s LYS 94 Cb 0.13 0.40 0.93 0.00 -2.06 0.00 0.00 37.83 37.22 2enk s LYS 94 CO 0.80 -0.34 1.95 0.97 0.10 0.00 0.00 175.35 178.82 2enk h ILE 95 N 6.10 1.16 -5.19 3.79 6.09 -1.79 -3.39 117.51 124.29 2enk h ILE 95 Ca -0.18 -0.77 0.00 0.00 -1.37 0.00 0.00 64.86 62.54 2enk h ILE 95 Cb 1.12 1.40 -0.02 0.00 0.47 0.00 0.00 36.82 39.80 2enk h ILE 95 CO 0.16 0.22 -1.06 -0.11 -3.07 0.00 0.00 178.15 174.28 2enk n LEU 96 N -4.27 -7.63 -4.09 2.19 0.00 -1.26 -5.05 117.00 96.90 2enk n LEU 96 Ca -0.02 1.50 -0.07 0.00 0.00 0.00 0.00 56.01 57.41 2enk n LEU 96 Cb 0.28 -3.27 -0.10 0.00 0.00 0.00 0.00 43.42 40.33 2enk n LEU 96 CO 0.37 -3.26 -0.35 -0.60 0.00 0.00 0.00 177.39 173.55 2enk s ARG 97 N -1.49 0.63 0.24 1.96 3.52 -1.26 -5.18 118.95 117.37 2enk s ARG 97 Ca -0.03 -1.22 0.02 0.00 -0.13 0.00 0.00 55.73 54.37 2enk s ARG 97 Cb 0.00 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2enk s ARG 97 CO 0.75 -0.12 0.08 0.39 -0.81 0.00 0.00 175.30 175.59 2enk n GLU 98 N 0.10 0.77 -1.92 5.12 1.02 -1.26 -5.07 120.64 119.40 2enk n GLU 98 Ca -0.14 -2.02 -0.18 0.00 -0.02 0.00 0.00 57.16 54.81 2enk n GLU 98 Cb 0.61 1.05 0.04 0.00 -0.02 0.00 0.00 31.44 33.13 2enk n GLU 98 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 2enk n TYR 99 N -0.55 2.26 -1.32 -0.32 4.11 -1.26 -5.10 117.16 114.98 2enk n TYR 99 Ca -0.04 -2.11 0.17 0.00 -0.00 0.00 0.00 57.90 55.93 2enk n TYR 99 Cb 0.36 -0.32 -0.06 0.00 -0.00 0.00 0.00 39.34 39.32 2enk n TYR 99 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 2enk n ARG 100 N -0.73 -2.84 -0.55 -3.48 1.74 -1.26 -5.41 116.66 104.13 2enk n ARG 100 Ca 0.37 2.09 0.00 0.00 -0.77 0.00 0.00 57.85 59.54 2enk n ARG 100 Cb 0.92 -3.40 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 2enk n ARG 100 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86