#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enk n SER 2 N 0.00 -0.26 -3.83 1.61 2.88 -1.26 -5.15 113.62 107.61 2enk n SER 2 Ca 0.00 0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.63 2enk n SER 2 Cb 0.00 0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 63.81 2enk n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2enk s SER 3 N -2.00 0.04 0.67 -3.46 1.04 -1.26 -5.17 113.70 103.55 2enk s SER 3 Ca 0.00 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.00 2enk s SER 3 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2enk s SER 3 CO 0.00 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.21 2enk n GLY 4 N 0.43 -2.23 3.55 7.32 0.00 -1.26 -4.85 105.19 108.15 2enk n GLY 4 Ca -0.18 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.46 5.26 0.57 1.61 0.15 -1.26 -4.95 113.70 113.62 2enk s SER 5 Ca 0.00 0.23 -0.20 0.00 0.70 0.00 0.00 55.95 56.69 2enk s SER 5 Cb 0.00 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 2enk s SER 5 CO 0.00 -2.41 1.07 -1.54 1.20 0.00 0.00 173.24 171.55 2enk n SER 6 N 12.87 1.28 0.00 5.45 3.41 -1.26 -4.85 113.62 130.51 2enk n SER 6 Ca 0.22 0.87 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 2enk n SER 6 Cb 0.52 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2enk n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2enk n GLY 7 N 1.15 2.70 3.22 5.00 0.00 -1.26 -5.14 105.19 110.87 2enk n GLY 7 Ca 0.13 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 2enk n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2enk s LYS 8 N -4.31 1.09 0.18 1.61 1.02 -1.26 -5.18 119.74 112.89 2enk s LYS 8 Ca 0.00 -1.53 0.03 0.00 0.02 0.00 0.00 55.97 54.48 2enk s LYS 8 Cb 0.00 -0.07 -0.05 0.00 -0.52 0.00 0.00 37.83 37.19 2enk s LYS 8 CO 0.00 -0.21 -0.02 0.71 -0.92 0.00 0.00 175.35 174.91 2enk s TYR 9 N -3.82 1.29 -0.57 3.18 1.51 -1.26 -4.95 117.35 112.74 2enk s TYR 9 Ca 0.26 -0.93 -0.13 0.00 -1.01 0.00 0.00 57.07 55.26 2enk s TYR 9 Cb 0.07 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.21 2enk s TYR 9 CO 0.05 -0.10 0.64 2.41 -1.11 0.00 0.00 175.55 177.43 2enk n THR 10 N -0.27 -8.92 -3.64 -0.71 -1.04 -1.26 -5.04 114.28 93.40 2enk n THR 10 Ca -0.07 0.34 -0.09 0.00 -2.04 0.00 0.00 64.05 62.18 2enk n THR 10 Cb 0.63 -6.16 -0.07 0.00 -1.82 0.00 0.00 70.33 62.90 2enk n THR 10 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2enk s GLN 11 N -2.95 0.72 0.16 -2.82 -0.21 -1.26 -5.08 119.66 108.22 2enk s GLN 11 Ca 0.17 1.07 0.00 0.00 0.02 0.00 0.00 55.36 56.62 2enk s GLN 11 Cb -0.04 0.23 0.00 0.00 1.00 0.00 0.00 33.01 34.21 2enk s GLN 11 CO 0.79 -0.12 0.00 0.09 -2.12 0.00 0.00 175.29 173.93 2enk n ASN 12 N 3.60 0.65 -1.92 5.90 4.13 -1.26 -5.00 115.26 121.37 2enk n ASN 12 Ca -0.17 0.26 -0.04 0.00 1.68 0.00 0.00 54.58 56.31 2enk n ASN 12 Cb 0.57 -0.07 0.04 0.00 -1.54 0.00 0.00 39.78 38.78 2enk n ASN 12 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2enk n ASN 13 N -3.48 -1.20 -4.54 6.41 5.15 -1.26 -5.14 115.26 111.21 2enk n ASN 13 Ca 0.00 -2.04 -0.29 0.00 -0.60 0.00 0.00 54.58 51.65 2enk n ASN 13 Cb 0.01 0.49 -0.10 0.00 -0.53 0.00 0.00 39.78 39.65 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 0.07 2.64 -0.02 1.20 0.40 -1.26 -4.45 117.98 116.57 2enk s PHE 14 Ca 0.05 -0.21 0.08 0.00 -0.60 0.00 0.00 56.93 56.25 2enk s PHE 14 Cb 0.25 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.37 2enk s PHE 14 CO -0.07 0.42 -0.25 -1.50 0.70 0.00 0.00 175.22 174.52 2enk s ILE 15 N -1.22 1.98 0.79 0.64 2.07 -0.93 -4.99 121.20 119.53 2enk s ILE 15 Ca 0.20 -1.07 -0.12 0.00 -1.41 0.00 0.00 60.65 58.25 2enk s ILE 15 Cb -0.11 -1.64 0.07 0.00 0.13 0.00 0.00 42.46 40.91 2enk s ILE 15 CO 0.12 0.56 1.14 0.42 -1.91 0.00 0.00 174.94 175.27 2enk s THR 16 N -0.57 2.70 0.01 4.00 -4.23 -1.26 -1.79 115.64 114.50 2enk s THR 16 Ca 0.09 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.72 2enk s THR 16 Cb -0.10 -2.64 -0.08 0.00 1.34 0.00 0.00 72.50 71.03 2enk s THR 16 CO -0.01 -0.26 0.94 1.23 -0.54 0.00 0.00 174.62 175.99 2enk h GLY 17 N -0.98 -0.56 0.37 3.99 0.00 -1.87 -2.68 103.07 101.35 2enk h GLY 17 Ca -0.45 0.21 0.20 0.00 0.00 0.00 0.00 47.33 47.29 2enk h GLY 17 CO 0.48 -0.20 0.58 -0.24 0.00 0.00 0.00 176.54 177.16 2enk h VAL 18 N -0.68 0.68 -0.74 4.60 3.04 -1.94 0.65 116.25 121.86 2enk h VAL 18 Ca -0.05 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 2enk h VAL 18 Cb 0.41 0.32 -0.04 0.00 -2.01 0.00 0.00 31.29 29.97 2enk h VAL 18 CO 0.09 0.06 0.44 0.03 -1.01 0.00 0.00 177.57 177.18 2enk h ARG 19 N 0.33 1.01 -0.07 4.17 3.08 -1.94 -1.86 114.38 119.10 2enk h ARG 19 Ca 0.44 -0.09 -0.24 0.00 0.07 0.00 0.00 59.98 60.15 2enk h ARG 19 Cb 1.20 -0.21 0.02 0.00 0.08 0.00 0.00 29.97 31.06 2enk h ARG 19 CO -0.14 0.72 -0.90 0.00 -1.07 0.00 0.00 179.97 178.58 2enk h ALA 20 N 1.23 0.21 -0.03 0.04 0.00 -0.58 -0.93 119.26 119.21 2enk h ALA 20 Ca 0.26 -0.65 0.01 0.00 0.00 0.00 0.00 54.91 54.54 2enk h ALA 20 Cb -0.03 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2enk h ALA 20 CO -0.05 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.71 2enk h ILE 21 N 0.44 0.68 0.00 0.00 2.04 -0.95 0.24 117.51 119.96 2enk h ILE 21 Ca -0.09 0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.51 2enk h ILE 21 Cb 1.55 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.57 2enk h ILE 21 CO 0.18 0.00 -1.43 0.59 0.00 0.00 0.00 178.15 177.49 2enk n ASN 22 N -4.07 1.87 0.46 1.72 3.02 -0.72 -2.11 115.26 115.43 2enk n ASN 22 Ca -0.02 0.41 -0.19 0.00 -0.03 0.00 0.00 54.58 54.75 2enk n ASN 22 Cb 0.12 -0.95 -0.09 0.00 -0.61 0.00 0.00 39.78 38.25 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 -1.00 -1.15 0.00 3.52 5.08 -1.00 -2.90 114.58 117.13 2enk h GLU 23 Ca -0.39 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2enk h GLU 23 Cb 1.34 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.85 2enk h GLU 23 CO -0.24 -0.76 0.00 0.74 -1.00 0.00 0.00 179.01 177.75 2enk h PHE 24 N -1.29 0.00 -5.56 4.33 0.04 -0.75 -3.48 116.94 110.23 2enk h PHE 24 Ca -0.12 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.38 2enk h PHE 24 Cb 0.91 0.00 0.18 0.00 2.20 0.00 0.00 35.95 39.24 2enk h PHE 24 CO -0.00 0.00 -0.85 0.00 -0.60 0.00 0.00 178.31 176.85 2enk n LEU 26 N -3.33 0.00 -4.91 0.00 4.77 -0.90 -5.00 117.00 107.62 2enk n LEU 26 Ca -0.07 -0.96 -0.30 0.00 -0.03 0.00 0.00 56.01 54.65 2enk n LEU 26 Cb 0.61 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 2enk n LEU 26 CO 0.60 -0.30 -0.01 -0.54 -1.33 0.00 0.00 177.39 175.80 2enk s LYS 27 N -2.70 3.54 0.37 3.23 1.02 -1.26 -4.85 119.74 119.09 2enk s LYS 27 Ca 0.07 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.86 2enk s LYS 27 Cb -0.01 -2.89 0.74 0.00 -0.52 0.00 0.00 37.83 35.16 2enk s LYS 27 CO 0.05 0.47 1.99 1.03 -0.92 0.00 0.00 175.35 177.97 2enk h SER 28 N 2.58 0.64 -0.26 2.83 0.87 -2.01 -1.93 113.55 116.27 2enk h SER 28 Ca -0.46 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 59.92 2enk h SER 28 Cb 1.17 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 2enk h SER 28 CO 0.72 0.44 -0.48 -1.28 -0.53 0.00 0.00 176.83 175.69 2enk h SER 29 N 0.74 0.92 -0.24 6.23 0.87 -2.00 -3.15 113.55 116.92 2enk h SER 29 Ca 0.26 -0.46 0.06 0.00 -1.23 0.00 0.00 61.79 60.42 2enk h SER 29 Cb 0.10 -0.26 -0.07 0.00 -0.44 0.00 0.00 62.40 61.74 2enk h SER 29 CO -0.07 1.24 -0.20 0.44 -0.53 0.00 0.00 176.83 177.71 2enk h ASP 30 N 0.66 -0.66 -0.49 6.23 3.32 -1.75 -1.85 116.42 121.88 2enk h ASP 30 Ca 0.03 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.28 2enk h ASP 30 Cb 1.07 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 40.88 2enk h ASP 30 CO 0.11 -0.24 0.15 -0.07 -1.72 0.00 0.00 179.24 177.46 2enk h LEU 31 N -0.21 0.11 -1.96 1.55 -0.00 -1.54 0.01 115.31 113.26 2enk h LEU 31 Ca 0.13 0.07 0.21 0.00 -0.00 0.00 0.00 57.88 58.30 2enk h LEU 31 Cb 0.41 0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 2enk h LEU 31 CO -0.36 0.09 0.53 -0.33 -0.00 0.00 0.00 178.44 178.37 2enk h GLU 32 N 0.30 0.03 -0.32 1.13 4.39 -1.31 0.22 114.58 119.03 2enk h GLU 32 Ca 0.24 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 2enk h GLU 32 Cb 0.29 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2enk h GLU 32 CO -0.28 0.02 0.08 0.37 -1.16 0.00 0.00 179.01 178.04 2enk h GLN 33 N 0.03 0.46 -7.36 2.33 5.75 -0.54 -3.43 115.11 112.34 2enk h GLN 33 Ca 0.35 -0.07 -0.51 0.00 -0.15 0.00 0.00 58.65 58.28 2enk h GLN 33 Cb 1.37 -0.08 0.10 0.00 1.07 0.00 0.00 27.48 29.94 2enk h GLN 33 CO -0.02 0.42 0.36 -0.51 -2.65 0.00 0.00 178.83 176.44 2enk s LEU 34 N -9.18 2.99 0.48 -2.39 1.43 0.78 -4.99 118.68 107.81 2enk s LEU 34 Ca -0.07 1.52 -0.23 0.00 -1.03 0.00 0.00 54.13 54.31 2enk s LEU 34 Cb 0.16 -4.33 -0.08 0.00 0.03 0.00 0.00 46.19 41.97 2enk s LEU 34 CO 0.74 -1.55 1.25 -1.14 0.23 0.00 0.00 176.35 175.88 2enk n ARG 35 N -3.19 1.72 -3.59 1.70 3.00 -1.26 -4.97 116.66 110.08 2enk n ARG 35 Ca 0.07 0.62 -0.40 0.00 -0.00 0.00 0.00 57.85 58.14 2enk n ARG 35 Cb 0.54 -2.40 -0.09 0.00 0.00 0.00 0.00 32.46 30.51 2enk n ARG 35 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2enk s LYS 36 N -2.46 2.41 -0.27 -0.14 1.02 -1.26 -4.77 119.74 114.27 2enk s LYS 36 Ca 0.66 -1.80 -0.13 0.00 0.02 0.00 0.00 55.97 54.71 2enk s LYS 36 Cb -0.47 -3.87 -0.04 0.00 -0.52 0.00 0.00 37.83 32.92 2enk s LYS 36 CO 0.54 -1.18 0.31 0.42 -0.92 0.00 0.00 175.35 174.52 2enk s ILE 37 N 1.27 5.22 -0.65 2.17 1.09 -1.18 -4.92 121.20 124.21 2enk s ILE 37 Ca 0.07 0.42 0.15 0.00 -1.10 0.00 0.00 60.65 60.18 2enk s ILE 37 Cb -0.25 -3.64 -0.17 0.00 -1.06 0.00 0.00 42.46 37.34 2enk s ILE 37 CO -0.02 0.19 0.61 -2.11 -0.10 0.00 0.00 174.94 173.51 2enk n ARG 38 N 5.23 1.91 -0.86 2.79 0.00 -1.26 -1.11 116.66 123.37 2enk n ARG 38 Ca -0.10 -0.01 0.12 0.00 -0.00 0.00 0.00 57.85 57.85 2enk n ARG 38 Cb 0.51 -1.22 -0.03 0.00 -0.00 0.00 0.00 32.46 31.72 2enk n ARG 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2enk n ARG 39 N -1.41 -1.73 -2.32 2.89 1.74 -1.26 -4.78 116.66 109.78 2enk n ARG 39 Ca 0.02 1.14 -0.34 0.00 -0.77 0.00 0.00 57.85 57.90 2enk n ARG 39 Cb 0.25 -2.12 -0.01 0.00 -1.02 0.00 0.00 32.46 29.56 2enk n ARG 39 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2enk s ARG 40 N -1.34 3.49 -0.41 5.56 3.00 -1.26 -5.02 118.95 122.97 2enk s ARG 40 Ca 0.00 1.46 0.07 0.00 0.00 0.00 0.00 55.73 57.26 2enk s ARG 40 Cb 0.00 -2.04 0.23 0.00 0.00 0.00 0.00 34.95 33.14 2enk s ARG 40 CO 0.00 -0.71 0.54 0.43 0.00 0.00 0.00 175.30 175.56 2enk n SER 41 N -1.31 -0.47 0.14 0.23 7.64 -1.26 -4.96 113.62 113.62 2enk n SER 41 Ca 0.10 -2.72 -0.00 0.00 1.01 0.00 0.00 58.87 57.26 2enk n SER 41 Cb 0.52 -0.22 0.24 0.00 -1.01 0.00 0.00 64.21 63.74 2enk n SER 41 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2enk h PRO 42 N 4.34 0.08 -1.80 1.43 0.13 -2.01 -3.35 132.00 130.82 2enk h PRO 42 Ca 0.08 -0.04 -0.47 0.00 -0.87 0.00 0.00 66.00 64.70 2enk h PRO 42 Cb 0.91 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.67 2enk h PRO 42 CO 0.41 0.54 -1.11 1.58 -0.23 0.00 0.00 178.00 179.19 2enk n HIS 43 N -3.97 -0.20 -3.63 1.56 -0.00 -1.26 -5.08 115.22 102.65 2enk n HIS 43 Ca -0.02 -3.61 -0.02 0.00 0.46 0.00 0.00 57.72 54.53 2enk n HIS 43 Cb 0.51 -0.21 -0.06 0.00 -0.12 0.00 0.00 29.99 30.11 2enk n HIS 43 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 2enk s GLU 44 N -1.99 0.40 -0.37 1.57 2.56 -1.26 -5.08 118.70 114.53 2enk s GLU 44 Ca 0.38 0.71 0.05 0.00 0.00 0.00 0.00 54.97 56.11 2enk s GLU 44 Cb 0.32 0.12 0.27 0.00 2.00 0.00 0.00 34.13 36.83 2enk s GLU 44 CO -0.08 -0.09 1.23 -3.47 -0.56 0.00 0.00 175.26 172.29 2enk n ASP 45 N 3.86 -1.65 0.00 -1.70 2.03 -1.26 -4.85 116.55 112.97 2enk n ASP 45 Ca -0.18 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 52.77 2enk n ASP 45 Cb 0.57 1.22 0.00 0.00 -0.72 0.00 0.00 41.12 42.19 2enk n ASP 45 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2enk n THR 46 N -0.20 0.00 -4.84 5.18 -2.24 -1.26 -5.06 114.28 105.86 2enk n THR 46 Ca -0.09 0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.49 2enk n THR 46 Cb 0.75 -1.03 -0.13 0.00 -2.10 0.00 0.00 70.33 67.81 2enk n THR 46 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2enk s GLU 47 N -0.73 2.82 -0.26 -0.78 8.01 -1.26 -5.07 118.70 121.43 2enk s GLU 47 Ca 0.00 -0.68 -0.29 0.00 0.01 0.00 0.00 54.97 54.01 2enk s GLU 47 Cb 0.00 -2.48 -0.02 0.00 -4.31 0.00 0.00 34.13 27.32 2enk s GLU 47 CO 0.00 0.48 1.69 -1.54 0.01 0.00 0.00 175.26 175.90 2enk s SER 48 N -0.36 6.19 -0.02 -0.19 1.04 -1.26 -4.91 113.70 114.20 2enk s SER 48 Ca 0.04 1.50 -0.08 0.00 0.48 0.00 0.00 55.95 57.88 2enk s SER 48 Cb -0.12 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 2enk s SER 48 CO 0.02 -1.43 0.54 0.15 0.98 0.00 0.00 173.24 173.51 2enk h PHE 49 N 11.55 -0.28 -4.82 5.02 3.57 -1.95 -3.50 116.94 126.53 2enk h PHE 49 Ca -0.34 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.16 2enk h PHE 49 Cb 1.16 0.09 -0.11 0.00 2.79 0.00 0.00 35.95 39.88 2enk h PHE 49 CO 0.93 -0.17 -1.43 2.41 -2.23 0.00 0.00 178.31 177.81 2enk n THR 50 N -3.66-12.50 -4.67 4.41 -1.04 -1.26 -4.78 114.28 90.78 2enk n THR 50 Ca -0.04 2.72 -0.32 0.00 -2.04 0.00 0.00 64.05 64.37 2enk n THR 50 Cb 0.12 -6.33 -0.12 0.00 -1.82 0.00 0.00 70.33 62.18 2enk n THR 50 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2enk s VAL 51 N -0.62 3.15 0.46 12.58 -7.23 -0.26 -4.10 120.40 124.38 2enk s VAL 51 Ca -0.23 -0.91 0.07 0.00 -1.81 0.00 0.00 61.98 59.10 2enk s VAL 51 Cb 0.02 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.64 2enk s VAL 51 CO 0.63 0.43 0.38 -0.31 -0.31 0.00 0.00 175.10 175.93 2enk s TYR 52 N -0.89 2.34 -0.17 2.82 2.02 -0.74 -3.12 117.35 119.60 2enk s TYR 52 Ca 0.14 -0.61 -0.08 0.00 -0.37 0.00 0.00 57.07 56.15 2enk s TYR 52 Cb -0.11 -2.08 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 2enk s TYR 52 CO 0.05 -0.24 0.11 -0.51 -1.57 0.00 0.00 175.55 173.39 2enk s LEU 53 N -4.17 4.13 0.42 -1.29 2.01 -1.26 -2.20 118.68 116.31 2enk s LEU 53 Ca 0.44 0.24 0.08 0.00 0.01 0.00 0.00 54.13 54.90 2enk s LEU 53 Cb -0.02 -2.04 0.89 0.00 0.01 0.00 0.00 46.19 45.02 2enk s LEU 53 CO 0.26 0.24 2.06 -0.09 1.01 0.00 0.00 176.35 179.83 2enk h ARG 54 N 6.23 0.51 0.00 1.70 2.43 -1.93 0.02 114.38 123.33 2enk h ARG 54 Ca -0.44 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.62 2enk h ARG 54 Cb 1.17 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 2enk h ARG 54 CO 0.70 0.33 -0.39 0.66 -1.51 0.00 0.00 179.97 179.77 2enk h SER 55 N 0.52 0.00 0.00 -3.80 4.64 -1.94 -2.25 113.55 110.72 2enk h SER 55 Ca 0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 2enk h SER 55 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2enk h SER 55 CO -0.03 0.39 -0.27 0.44 -0.87 0.00 0.00 176.83 176.49 2enk h ASP 56 N 0.00 0.00 -0.54 4.97 5.19 -1.60 -3.34 116.42 121.10 2enk h ASP 56 Ca -0.00 -0.56 0.15 0.00 -0.62 0.00 0.00 57.03 56.00 2enk h ASP 56 Cb 0.76 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 2enk h ASP 56 CO 0.05 0.94 0.39 0.58 -3.12 0.00 0.00 179.24 178.07 2enk h VAL 57 N -1.00 0.74 -0.13 -1.35 2.07 -1.10 -1.98 116.25 113.50 2enk h VAL 57 Ca -0.06 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.50 2enk h VAL 57 Cb 0.75 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 2enk h VAL 57 CO -0.04 0.00 -0.21 -0.08 0.02 0.00 0.00 177.57 177.26 2enk h GLU 58 N 0.02 -0.26 -0.42 1.57 4.81 -1.52 -1.74 114.58 117.04 2enk h GLU 58 Ca 0.26 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.43 2enk h GLU 58 Cb 1.01 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 2enk h GLU 58 CO -0.01 -0.17 -0.06 0.00 -0.73 0.00 0.00 179.01 178.04 2enk h ALA 59 N 0.72 1.12 -0.23 2.92 0.00 -1.52 -2.40 119.26 119.88 2enk h ALA 59 Ca 0.10 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2enk h ALA 59 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2enk h ALA 59 CO -0.29 0.56 0.23 -0.22 0.00 0.00 0.00 179.25 179.53 2enk h LYS 60 N 0.66 0.00 0.00 0.00 1.63 -1.09 0.21 116.57 117.97 2enk h LYS 60 Ca 0.12 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.78 2enk h LYS 60 Cb 0.49 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 2enk h LYS 60 CO 0.03 0.00 -0.85 0.66 -3.45 0.00 0.00 179.45 175.83 2enk h SER 61 N 0.00 0.00 0.64 4.20 4.64 -0.89 -3.06 113.55 119.08 2enk h SER 61 Ca 0.11 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.16 2enk h SER 61 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2enk h SER 61 CO -0.00 0.63 -1.34 -0.07 -0.87 0.00 0.00 176.83 175.18 2enk h LEU 62 N 0.00 0.26 -0.74 5.97 3.38 -0.66 -2.28 115.31 121.25 2enk h LEU 62 Ca -0.05 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 2enk h LEU 62 Cb 1.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2enk h LEU 62 CO 0.07 1.27 -0.37 1.05 0.09 0.00 0.00 178.44 180.55 2enk h GLU 63 N 0.05 0.00 0.00 1.13 -0.00 -1.05 -0.91 114.58 113.80 2enk h GLU 63 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.20 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 0.16 0.37 0.00 0.28 -0.00 0.00 0.00 179.01 179.81 2enk n VAL 64 N -3.41 0.00 0.29 -1.06 0.31 -1.16 -4.45 118.33 108.85 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 0.55 -1.20 0.87 0.00 -0.91 0.00 0.00 33.84 33.14 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 -1.59 -3.46 115.95 118.48 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 -1.30 3.10 3.36 1.49 0.00 -0.35 -4.93 105.19 106.56 2enk n GLY 66 Ca -0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 2enk n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2enk s SER 67 N 0.00 -0.31 0.41 1.61 0.01 -1.22 -4.68 113.70 109.51 2enk s SER 67 Ca 0.00 -0.26 0.29 0.00 1.31 0.00 0.00 55.95 57.28 2enk s SER 67 Cb 0.00 0.51 1.20 0.00 0.21 0.00 0.00 66.02 67.95 2enk s SER 67 CO 0.00 -0.90 1.86 1.55 0.41 0.00 0.00 173.24 176.15 2enk h PRO 68 N 2.26 0.00 -0.02 12.44 0.13 -1.90 -2.82 132.00 142.09 2enk h PRO 68 Ca -0.33 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.63 2enk h PRO 68 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2enk h PRO 68 CO 0.44 0.00 -0.74 0.93 -0.23 0.00 0.00 178.00 178.39 2enk h GLU 69 N 0.00 0.12 -0.55 0.86 5.08 -1.98 -2.27 114.58 115.84 2enk h GLU 69 Ca 0.00 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2enk h GLU 69 Cb 0.42 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2enk h GLU 69 CO 0.00 0.81 -0.04 0.00 -1.00 0.00 0.00 179.01 178.78 2enk h ALA 70 N 1.16 0.75 -0.11 3.43 0.00 -1.86 -3.01 119.26 119.62 2enk h ALA 70 Ca -0.02 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.40 2enk h ALA 70 Cb 1.31 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2enk h ALA 70 CO 0.11 0.61 -0.61 1.25 0.00 0.00 0.00 179.25 180.61 2enk h LEU 71 N 0.88 0.73 -1.95 0.00 5.85 -1.64 -3.15 115.31 116.03 2enk h LEU 71 Ca 0.15 -0.65 0.24 0.00 0.84 0.00 0.00 57.88 58.46 2enk h LEU 71 Cb 0.59 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 2enk h LEU 71 CO 0.04 1.26 0.60 0.00 -0.34 0.00 0.00 178.44 179.99 2enk h ALA 72 N 0.49 2.73 -0.75 1.25 0.00 -1.37 0.14 119.26 121.76 2enk h ALA 72 Ca -0.04 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 54.96 2enk h ALA 72 Cb 1.25 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2enk h ALA 72 CO 0.13 -0.97 0.49 0.00 0.00 0.00 0.00 179.25 178.90 2enk h ARG 73 N 0.04 0.52 0.00 0.00 3.08 -1.48 -0.95 114.38 115.59 2enk h ARG 73 Ca 0.40 -0.03 -0.20 0.00 0.07 0.00 0.00 59.98 60.22 2enk h ARG 73 Cb 1.55 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.44 2enk h ARG 73 CO -0.02 0.34 -1.49 0.39 -1.07 0.00 0.00 179.97 178.12 2enk n GLU 74 N -4.49 0.62 -0.21 0.04 1.02 0.45 -4.07 120.64 114.00 2enk n GLU 74 Ca 0.13 0.25 -0.04 0.00 -0.02 0.00 0.00 57.16 57.48 2enk n GLU 74 Cb 0.43 -1.81 0.13 0.00 -0.02 0.00 0.00 31.44 30.18 2enk n GLU 74 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2enk h LYS 75 N 0.00 1.02 -0.28 3.49 1.79 -0.67 -2.70 116.57 119.21 2enk h LYS 75 Ca -0.20 -0.19 -0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2enk h LYS 75 Cb 1.70 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 32.18 2enk h LYS 75 CO 0.05 0.86 0.17 -0.22 -1.08 0.00 0.00 179.45 179.24 2enk h LYS 76 N 0.99 0.38 -0.02 3.15 3.64 -1.43 0.21 116.57 123.50 2enk h LYS 76 Ca 0.22 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2enk h LYS 76 Cb 0.25 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 2enk h LYS 76 CO -0.01 0.29 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.24 2enk h LEU 77 N 0.36 -0.45 -1.27 5.20 3.38 -1.66 0.14 115.31 121.00 2enk h LEU 77 Ca 0.10 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2enk h LEU 77 Cb 0.01 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2enk h LEU 77 CO -0.02 -0.21 -0.22 0.03 0.09 0.00 0.00 178.44 178.11 2enk h ARG 78 N -0.25 0.22 0.58 1.13 3.08 -1.35 -2.23 114.38 115.57 2enk h ARG 78 Ca 0.06 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2enk h ARG 78 Cb 0.32 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.35 2enk h ARG 78 CO -0.16 0.44 -0.28 -0.22 -1.07 0.00 0.00 179.97 178.68 2enk h LYS 79 N 0.20 -0.75 -0.64 0.04 3.64 0.22 -2.86 116.57 116.42 2enk h LYS 79 Ca 0.03 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.58 2enk h LYS 79 Cb 0.51 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.46 2enk h LYS 79 CO 0.03 -0.45 0.43 0.93 -2.27 0.00 0.00 179.45 178.13 2enk h GLU 80 N -1.10 0.37 -0.66 1.90 4.39 -0.75 -1.15 114.58 117.59 2enk h GLU 80 Ca -0.08 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.61 2enk h GLU 80 Cb 0.65 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 2enk h GLU 80 CO 0.13 0.24 0.43 0.00 -1.16 0.00 0.00 179.01 178.65 2enk h ALA 81 N 1.68 0.83 -0.47 3.43 0.00 -1.33 -2.12 119.26 121.29 2enk h ALA 81 Ca 0.30 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2enk h ALA 81 Cb 0.67 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2enk h ALA 81 CO -0.08 0.25 -0.05 0.93 0.00 0.00 0.00 179.25 180.29 2enk h GLU 82 N 0.88 0.82 -0.68 0.00 5.08 -0.99 -2.90 114.58 116.79 2enk h GLU 82 Ca 0.24 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2enk h GLU 82 Cb -0.09 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 2enk h GLU 82 CO -0.06 0.85 0.41 0.82 -1.00 0.00 0.00 179.01 180.03 2enk h ILE 83 N 0.75 1.20 0.00 3.13 2.04 -1.09 -1.04 117.51 122.50 2enk h ILE 83 Ca 0.14 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 2enk h ILE 83 Cb 0.53 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2enk h ILE 83 CO 0.03 0.20 -0.16 -0.33 0.00 0.00 0.00 178.15 177.89 2enk h GLU 84 N 0.92 0.00 0.18 2.37 4.39 -1.22 0.14 114.58 121.37 2enk h GLU 84 Ca 0.24 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 2enk h GLU 84 Cb -0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2enk h GLU 84 CO -0.05 0.16 -0.09 -0.92 -1.16 0.00 0.00 179.01 176.96 2enk h TYR 85 N 0.00 -0.23 0.00 4.33 3.20 -1.15 -3.31 116.97 119.82 2enk h TYR 85 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2enk h TYR 85 Cb 0.32 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2enk h TYR 85 CO 0.00 -0.10 -0.07 0.07 -1.64 0.00 0.00 178.16 176.42 2enk h ARG 86 N -1.06 0.00 0.13 1.82 -0.00 -1.20 -3.10 114.38 110.98 2enk h ARG 86 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2enk h ARG 86 Cb 0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.18 2enk h ARG 86 CO 0.04 0.07 -0.26 0.93 -0.00 0.00 0.00 179.97 180.75 2enk h GLU 87 N 0.00 -0.41 -0.33 0.08 4.39 -0.80 0.13 114.58 117.64 2enk h GLU 87 Ca -0.00 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.82 2enk h GLU 87 Cb 0.17 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2enk h GLU 87 CO 0.01 -0.27 0.24 0.07 -1.16 0.00 0.00 179.01 177.90 2enk h ARG 88 N -0.42 0.00 0.00 2.33 0.11 -1.63 0.98 114.38 115.75 2enk h ARG 88 Ca -0.01 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 2enk h ARG 88 Cb 0.40 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 2enk h ARG 88 CO -0.10 0.00 -0.50 -0.07 0.10 0.00 0.00 179.97 179.40 2enk h LEU 89 N 0.00 0.00 0.16 0.08 3.38 -1.24 -2.50 115.31 115.19 2enk h LEU 89 Ca 0.16 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.83 2enk h LEU 89 Cb 0.64 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.40 2enk h LEU 89 CO -0.00 0.50 -1.32 -0.26 0.09 0.00 0.00 178.44 177.44 2enk h PHE 90 N 0.00 0.61 0.00 1.13 0.04 0.17 -3.23 116.94 115.66 2enk h PHE 90 Ca -0.00 -0.44 -0.07 0.00 2.80 0.00 0.00 57.97 60.25 2enk h PHE 90 Cb 0.89 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 2enk h PHE 90 CO 0.00 1.36 -0.35 -0.09 -0.60 0.00 0.00 178.31 178.63 2enk h ARG 91 N 0.09 0.00 -0.89 1.51 2.43 -1.24 -2.75 114.38 113.54 2enk h ARG 91 Ca -0.17 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.46 2enk h ARG 91 Cb 2.02 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 31.29 2enk h ARG 91 CO 0.22 0.35 0.52 -1.71 -1.51 0.00 0.00 179.97 177.84 2enk n ASN 92 N -3.97 5.17 0.00 -3.80 2.85 -0.95 -4.54 115.26 110.02 2enk n ASN 92 Ca -0.02 -3.72 -0.18 0.00 -0.11 0.00 0.00 54.58 50.56 2enk n ASN 92 Cb 0.40 -0.83 -0.14 0.00 1.24 0.00 0.00 39.78 40.46 2enk n ASN 92 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2enk h GLN 93 N 1.48 0.19 -1.63 1.20 4.15 -1.51 -3.49 115.11 115.50 2enk h GLN 93 Ca 0.55 -0.32 0.30 0.00 0.77 0.00 0.00 58.65 59.96 2enk h GLN 93 Cb 1.81 0.12 -0.11 0.00 0.21 0.00 0.00 27.48 29.51 2enk h GLN 93 CO 1.17 1.15 0.78 0.15 -1.93 0.00 0.00 178.83 180.15 2enk s LYS 94 N -2.35 0.53 0.50 1.69 1.02 -1.26 -5.01 119.74 114.85 2enk s LYS 94 Ca -0.16 -0.30 0.22 0.00 0.02 0.00 0.00 55.97 55.75 2enk s LYS 94 Cb -0.00 0.18 1.29 0.00 -0.52 0.00 0.00 37.83 38.77 2enk s LYS 94 CO 0.77 -0.24 1.99 0.97 -0.92 0.00 0.00 175.35 177.92 2enk h ILE 95 N 2.00 0.78 -2.91 2.17 2.10 -1.96 -3.48 117.51 116.21 2enk h ILE 95 Ca -0.29 -0.04 0.35 0.00 1.08 0.00 0.00 64.86 65.96 2enk h ILE 95 Cb 1.21 0.65 -0.10 0.00 -1.09 0.00 0.00 36.82 37.49 2enk h ILE 95 CO 0.28 0.02 -0.52 -0.11 -1.08 0.00 0.00 178.15 176.74 2enk n LEU 96 N -4.41 -0.66 -4.30 2.19 7.94 -1.26 -5.00 117.00 111.49 2enk n LEU 96 Ca 0.10 1.46 -0.17 0.00 -1.11 0.00 0.00 56.01 56.29 2enk n LEU 96 Cb 0.54 -3.97 -0.09 0.00 0.53 0.00 0.00 43.42 40.43 2enk n LEU 96 CO 0.36 -3.40 -0.20 -0.13 -1.11 0.00 0.00 177.39 172.90 2enk s ARG 97 N -2.26 1.51 0.20 1.96 3.00 -1.26 -5.18 118.95 116.93 2enk s ARG 97 Ca 0.00 -1.85 -0.22 0.00 0.00 0.00 0.00 55.73 53.66 2enk s ARG 97 Cb 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 34.95 35.01 2enk s ARG 97 CO 0.00 -0.44 0.99 -1.83 0.00 0.00 0.00 175.30 174.02 2enk s GLU 98 N -3.87 1.40 -0.06 3.54 -1.05 -1.26 -5.16 118.70 112.24 2enk s GLU 98 Ca 0.37 -0.87 -0.17 0.00 -0.15 0.00 0.00 54.97 54.15 2enk s GLU 98 Cb 0.05 0.41 -0.05 0.00 -0.44 0.00 0.00 34.13 34.10 2enk s GLU 98 CO 0.17 -0.65 0.44 1.52 0.95 0.00 0.00 175.26 177.69 2enk s TYR 99 N -2.48 3.62 0.25 4.83 1.13 -1.26 -5.08 117.35 118.36 2enk s TYR 99 Ca 0.18 0.94 0.01 0.00 -1.41 0.00 0.00 57.07 56.80 2enk s TYR 99 Cb -0.03 -2.42 -0.05 0.00 -1.10 0.00 0.00 41.96 38.36 2enk s TYR 99 CO 0.05 0.41 0.09 1.03 -2.51 0.00 0.00 175.55 174.61 2enk s ARG 100 N -0.24 1.39 0.00 -3.49 1.81 -1.26 -5.37 118.95 111.78 2enk s ARG 100 Ca 0.25 -1.74 0.20 0.00 -1.72 0.00 0.00 55.73 52.71 2enk s ARG 100 Cb -0.16 -0.28 0.16 0.00 -0.45 0.00 0.00 34.95 34.22 2enk s ARG 100 CO 0.12 -0.28 1.13 -0.25 -0.68 0.00 0.00 175.30 175.34