#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2enk s SER 2 N 0.00 0.68 -0.11 1.61 0.15 -1.26 -5.02 113.70 109.76 2enk s SER 2 Ca 0.00 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.03 2enk s SER 2 Cb 0.00 0.49 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 2enk s SER 2 CO 0.00 -0.26 -0.06 -0.24 1.20 0.00 0.00 173.24 173.88 2enk n SER 3 N 5.34 3.00 0.00 5.45 2.88 -1.26 -5.07 113.62 123.96 2enk n SER 3 Ca -0.05 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2enk n SER 3 Cb 0.50 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2enk n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2enk n GLY 4 N 2.78 0.96 2.84 0.46 0.00 -1.26 -5.13 105.19 105.84 2enk n GLY 4 Ca -0.18 0.38 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 2enk n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2enk s SER 5 N 2.00 0.17 0.02 1.61 0.01 -1.26 -4.98 113.70 111.27 2enk s SER 5 Ca 0.00 -0.00 -0.07 0.00 1.31 0.00 0.00 55.95 57.19 2enk s SER 5 Cb 0.00 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.18 2enk s SER 5 CO 0.00 -0.05 0.32 -1.54 0.41 0.00 0.00 173.24 172.38 2enk n SER 6 N 3.59 -0.40 0.00 2.44 3.41 -1.26 -5.00 113.62 116.39 2enk n SER 6 Ca -0.20 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 2enk n SER 6 Cb 0.55 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 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 -0.23 0.63 3.61 5.00 0.00 -1.26 -4.96 105.19 107.98 2enk n GLY 7 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2enk n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2enk s LYS 8 N 0.00 2.16 -0.20 1.61 2.47 -1.26 -5.13 119.74 119.40 2enk s LYS 8 Ca 0.00 -1.50 -0.04 0.00 -1.56 0.00 0.00 55.97 52.87 2enk s LYS 8 Cb 0.00 -2.07 0.08 0.00 -1.46 0.00 0.00 37.83 34.38 2enk s LYS 8 CO 0.00 0.35 0.16 0.71 0.16 0.00 0.00 175.35 176.73 2enk s TYR 9 N -2.37 -0.02 0.00 4.03 1.51 -1.26 -5.05 117.35 114.19 2enk s TYR 9 Ca 0.31 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 56.24 2enk s TYR 9 Cb -0.06 -0.56 0.00 0.00 -0.11 0.00 0.00 41.96 41.23 2enk s TYR 9 CO 0.19 -0.60 0.00 0.25 -1.11 0.00 0.00 175.55 174.28 2enk n THR 10 N 5.30 0.00 -2.74 -0.71 -2.24 -1.26 -4.89 114.28 107.73 2enk n THR 10 Ca -0.06 0.45 -0.04 0.00 -2.27 0.00 0.00 64.05 62.13 2enk n THR 10 Cb 0.48 -1.45 0.04 0.00 -2.10 0.00 0.00 70.33 67.31 2enk n THR 10 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2enk n GLN 11 N -2.39 1.71 -4.04 -0.78 7.27 -1.26 -5.07 117.38 112.81 2enk n GLN 11 Ca 0.00 -3.50 -0.35 0.00 0.07 0.00 0.00 57.00 53.22 2enk n GLN 11 Cb 0.00 -1.56 -0.12 0.00 2.41 0.00 0.00 30.24 30.97 2enk n GLN 11 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2enk s ASN 12 N -3.61 5.07 -0.62 1.69 2.47 -1.26 -5.03 114.94 113.64 2enk s ASN 12 Ca 0.29 -0.13 0.06 0.00 0.42 0.00 0.00 52.86 53.50 2enk s ASN 12 Cb 0.36 -1.87 0.26 0.00 -1.45 0.00 0.00 41.25 38.55 2enk s ASN 12 CO -0.02 0.08 0.75 0.59 -3.72 0.00 0.00 177.10 174.79 2enk n ASN 13 N 4.13 3.64 -3.82 -4.21 4.13 -1.26 -5.04 115.26 112.83 2enk n ASN 13 Ca -0.17 -3.43 -0.13 0.00 1.68 0.00 0.00 54.58 52.54 2enk n ASN 13 Cb 0.52 -0.66 -0.13 0.00 -1.54 0.00 0.00 39.78 37.97 2enk n ASN 13 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2enk s PHE 14 N -2.50 -0.12 -0.04 3.10 0.40 -1.26 -4.62 117.98 112.94 2enk s PHE 14 Ca 0.40 0.31 0.05 0.00 -0.60 0.00 0.00 56.93 57.09 2enk s PHE 14 Cb 0.16 0.01 -0.02 0.00 0.51 0.00 0.00 43.02 43.68 2enk s PHE 14 CO -0.03 -0.07 -0.17 -1.50 0.70 0.00 0.00 175.22 174.15 2enk s ILE 15 N 0.26 2.86 0.81 0.64 2.07 -0.95 -4.97 121.20 121.92 2enk s ILE 15 Ca -0.02 -0.81 -0.12 0.00 -1.41 0.00 0.00 60.65 58.29 2enk s ILE 15 Cb -0.03 -2.10 0.09 0.00 0.13 0.00 0.00 42.46 40.55 2enk s ILE 15 CO -0.01 0.58 1.14 0.42 -1.91 0.00 0.00 174.94 175.16 2enk s THR 16 N -0.72 2.56 -0.02 4.00 -4.23 -1.26 -2.45 115.64 113.53 2enk s THR 16 Ca 0.11 0.21 -0.18 0.00 -1.18 0.00 0.00 61.69 60.66 2enk s THR 16 Cb -0.10 -2.52 -0.10 0.00 1.34 0.00 0.00 72.50 71.12 2enk s THR 16 CO 0.00 -0.21 0.77 1.23 -0.54 0.00 0.00 174.62 175.87 2enk h GLY 17 N -1.17 -0.66 0.36 3.99 0.00 -1.95 -2.54 103.07 101.10 2enk h GLY 17 Ca -0.44 0.24 0.21 0.00 0.00 0.00 0.00 47.33 47.34 2enk h GLY 17 CO 0.47 -0.24 0.58 -0.24 0.00 0.00 0.00 176.54 177.11 2enk h VAL 18 N -1.08 0.65 -0.20 4.60 3.04 -1.94 -0.03 116.25 121.28 2enk h VAL 18 Ca -0.06 -0.08 -0.04 0.00 -1.01 0.00 0.00 66.70 65.51 2enk h VAL 18 Cb 0.48 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 30.16 2enk h VAL 18 CO 0.11 0.04 -0.03 0.03 -1.01 0.00 0.00 177.57 176.70 2enk h ARG 19 N 0.22 0.38 -0.24 4.17 3.08 -1.94 -2.08 114.38 117.97 2enk h ARG 19 Ca 0.42 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 60.25 2enk h ARG 19 Cb 1.32 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 2enk h ARG 19 CO -0.10 0.62 -0.22 0.00 -1.07 0.00 0.00 179.97 179.20 2enk h ALA 20 N 0.75 1.18 0.00 0.04 0.00 -0.62 0.10 119.26 120.71 2enk h ALA 20 Ca 0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2enk h ALA 20 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2enk h ALA 20 CO 0.02 0.52 -0.28 0.82 0.00 0.00 0.00 179.25 180.33 2enk h ILE 21 N 0.39 0.74 0.00 0.00 2.04 -1.03 0.23 117.51 119.88 2enk h ILE 21 Ca 0.06 -1.22 -0.27 0.00 1.00 0.00 0.00 64.86 64.43 2enk h ILE 21 Cb 0.61 1.77 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 2enk h ILE 21 CO 0.04 0.28 -1.79 0.59 0.00 0.00 0.00 178.15 177.27 2enk n ASN 22 N -3.53 0.68 -0.06 1.72 3.02 -0.79 -2.78 115.26 113.52 2enk n ASN 22 Ca -0.00 0.32 -0.03 0.00 -0.03 0.00 0.00 54.58 54.83 2enk n ASN 22 Cb 0.43 0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.69 -3.37 114.58 118.44 2enk h GLU 23 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2enk h GLU 23 Cb 1.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 2enk h GLU 23 CO 0.06 0.01 0.00 0.74 -1.16 0.00 0.00 179.01 178.66 2enk h PHE 24 N -1.00 0.00 -5.39 4.33 -1.00 -0.75 -3.48 116.94 109.65 2enk h PHE 24 Ca -0.00 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 2enk h PHE 24 Cb 0.30 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.86 2enk h PHE 24 CO -0.12 0.00 -0.19 0.00 -1.61 0.00 0.00 178.31 176.39 2enk n LEU 26 N -1.34 0.00 -4.96 0.00 4.77 -1.14 -5.02 117.00 109.31 2enk n LEU 26 Ca 0.03 -0.57 -0.22 0.00 -0.03 0.00 0.00 56.01 55.21 2enk n LEU 26 Cb 0.50 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 2enk n LEU 26 CO 0.52 -0.08 0.20 -0.54 -1.33 0.00 0.00 177.39 176.16 2enk s LYS 27 N -2.32 3.21 0.09 3.23 1.02 -1.26 -4.91 119.74 118.79 2enk s LYS 27 Ca 0.01 -0.55 -0.16 0.00 0.02 0.00 0.00 55.97 55.29 2enk s LYS 27 Cb 0.00 -2.65 -0.07 0.00 -0.52 0.00 0.00 37.83 34.59 2enk s LYS 27 CO 0.00 -0.07 1.47 0.77 -0.92 0.00 0.00 175.35 176.61 2enk h SER 28 N 0.61 0.61 0.52 2.83 0.02 -2.01 -3.00 113.55 113.13 2enk h SER 28 Ca -0.47 -0.39 -0.10 0.00 -0.84 0.00 0.00 61.79 59.99 2enk h SER 28 Cb 1.24 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2enk h SER 28 CO 0.58 0.86 -0.48 -1.28 -1.14 0.00 0.00 176.83 175.37 2enk h SER 29 N 0.35 0.00 0.34 3.07 0.87 -2.00 -3.16 113.55 113.03 2enk h SER 29 Ca 0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2enk h SER 29 Cb 0.62 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2enk h SER 29 CO 0.04 0.48 -0.36 0.44 -0.53 0.00 0.00 176.83 176.89 2enk h ASP 30 N 0.00 -0.99 -0.73 6.23 5.19 -1.93 -2.34 116.42 121.85 2enk h ASP 30 Ca -0.00 0.09 0.08 0.00 -0.62 0.00 0.00 57.03 56.58 2enk h ASP 30 Cb 0.87 0.34 -0.07 0.00 0.18 0.00 0.00 39.33 40.65 2enk h ASP 30 CO 0.06 -0.50 0.39 -0.07 -3.12 0.00 0.00 179.24 176.00 2enk h LEU 31 N -0.74 0.54 -1.85 1.55 -0.00 -1.56 -0.23 115.31 113.03 2enk h LEU 31 Ca -0.02 0.05 0.17 0.00 -0.00 0.00 0.00 57.88 58.08 2enk h LEU 31 Cb 0.67 -0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.24 2enk h LEU 31 CO -0.08 0.32 0.48 -0.33 -0.00 0.00 0.00 178.44 178.83 2enk h GLU 32 N 0.67 0.14 -0.85 1.13 4.39 -1.43 0.23 114.58 118.86 2enk h GLU 32 Ca 0.35 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 60.00 2enk h GLU 32 Cb 0.31 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 2enk h GLU 32 CO -0.24 0.09 0.40 0.37 -1.16 0.00 0.00 179.01 178.48 2enk h GLN 33 N 0.14 1.23 -7.21 2.33 5.75 -0.51 -3.44 115.11 113.41 2enk h GLN 33 Ca 0.33 -0.19 -0.53 0.00 -0.15 0.00 0.00 58.65 58.12 2enk h GLN 33 Cb 1.10 -0.22 0.15 0.00 1.07 0.00 0.00 27.48 29.58 2enk h GLN 33 CO -0.05 0.95 0.36 -0.51 -2.65 0.00 0.00 178.83 176.93 2enk s LEU 34 N -9.81 3.24 0.16 -2.39 1.43 0.07 -4.89 118.68 106.48 2enk s LEU 34 Ca -0.13 2.22 -0.34 0.00 -1.03 0.00 0.00 54.13 54.86 2enk s LEU 34 Cb 0.16 -4.57 -0.15 0.00 0.03 0.00 0.00 46.19 41.66 2enk s LEU 34 CO 0.84 -2.25 1.41 -1.14 0.23 0.00 0.00 176.35 175.44 2enk n ARG 35 N -2.95 1.69 -2.28 1.70 0.63 -1.26 -4.86 116.66 109.32 2enk n ARG 35 Ca 0.12 0.61 -0.42 0.00 -0.92 0.00 0.00 57.85 57.24 2enk n ARG 35 Cb 0.51 -2.27 0.00 0.00 0.45 0.00 0.00 32.46 31.15 2enk n ARG 35 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2enk n LYS 36 N 2.62 3.77 -1.67 -0.14 5.02 -1.26 -4.73 118.16 121.76 2enk n LYS 36 Ca 0.16 -3.52 -0.46 0.00 -2.02 0.00 0.00 58.31 52.47 2enk n LYS 36 Cb 0.26 -2.88 -0.04 0.00 -0.02 0.00 0.00 35.03 32.35 2enk n LYS 36 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2enk n ILE 37 N 3.08 0.18 -3.55 -0.18 -0.00 -1.19 -4.86 119.36 112.83 2enk n ILE 37 Ca 0.43 -0.03 -0.41 0.00 -0.00 0.00 0.00 62.75 62.73 2enk n ILE 37 Cb 0.34 -1.66 -0.10 0.00 -0.00 0.00 0.00 39.64 38.22 2enk n ILE 37 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2enk s ARG 38 N 1.85 2.79 0.15 0.38 0.52 -1.26 -3.05 118.95 120.33 2enk s ARG 38 Ca 0.83 -1.24 -0.15 0.00 -0.52 0.00 0.00 55.73 54.65 2enk s ARG 38 Cb -0.67 -3.84 -0.07 0.00 0.52 0.00 0.00 34.95 30.89 2enk s ARG 38 CO 0.41 -0.84 0.56 0.50 0.02 0.00 0.00 175.30 175.96 2enk s ARG 39 N 1.54 4.00 0.41 3.54 6.06 -1.26 -5.09 118.95 128.15 2enk s ARG 39 Ca 0.03 0.52 0.08 0.00 -2.50 0.00 0.00 55.73 53.86 2enk s ARG 39 Cb -0.21 -2.93 -0.00 0.00 0.06 0.00 0.00 34.95 31.86 2enk s ARG 39 CO 0.06 0.48 0.48 0.50 -2.50 0.00 0.00 175.30 174.31 2enk s ARG 40 N -1.94 2.73 0.10 5.12 3.52 -1.26 -5.00 118.95 122.21 2enk s ARG 40 Ca 0.38 -1.35 -0.09 0.00 -0.13 0.00 0.00 55.73 54.54 2enk s ARG 40 Cb -0.15 -2.60 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 2enk s ARG 40 CO 0.19 -0.21 0.22 -1.54 -0.81 0.00 0.00 175.30 173.16 2enk s SER 41 N -4.24 0.08 0.04 -2.12 1.04 -1.26 -5.07 113.70 102.17 2enk s SER 41 Ca 0.51 -0.64 -0.20 0.00 0.48 0.00 0.00 55.95 56.10 2enk s SER 41 Cb -0.07 0.36 -0.14 0.00 0.10 0.00 0.00 66.02 66.27 2enk s SER 41 CO 0.31 -0.76 1.35 1.55 0.98 0.00 0.00 173.24 176.67 2enk h PRO 42 N 2.69 0.38 0.00 4.02 0.13 -2.00 -3.43 132.00 133.79 2enk h PRO 42 Ca -0.34 -0.20 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 2enk h PRO 42 Cb 1.21 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 2enk h PRO 42 CO 0.55 0.75 -0.13 1.58 -0.23 0.00 0.00 178.00 180.52 2enk n HIS 43 N -4.54 -0.46 -4.42 1.56 -0.00 -1.26 -5.15 115.22 100.94 2enk n HIS 43 Ca -0.06 -0.50 -0.21 0.00 0.46 0.00 0.00 57.72 57.41 2enk n HIS 43 Cb 0.37 0.68 -0.10 0.00 -0.12 0.00 0.00 29.99 30.82 2enk n HIS 43 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2enk s GLU 44 N 0.03 1.54 -0.22 1.57 -1.05 -1.26 -4.97 118.70 114.33 2enk s GLU 44 Ca 0.02 -1.74 -0.04 0.00 -0.15 0.00 0.00 54.97 53.06 2enk s GLU 44 Cb 0.10 -1.32 0.02 0.00 -0.44 0.00 0.00 34.13 32.48 2enk s GLU 44 CO -0.03 0.15 0.08 -0.25 0.95 0.00 0.00 175.26 176.16 2enk n ASP 45 N -0.55 -4.62 0.26 0.83 8.00 -1.26 -4.78 116.55 114.42 2enk n ASP 45 Ca -0.06 1.19 0.09 0.00 0.71 0.00 0.00 54.79 56.72 2enk n ASP 45 Cb 0.62 -4.67 0.66 0.00 -0.02 0.00 0.00 41.12 37.71 2enk n ASP 45 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2enk h THR 46 N 2.93 0.92 -2.84 -3.53 1.35 -1.97 -3.41 112.91 106.35 2enk h THR 46 Ca -0.19 -0.22 -0.66 0.00 -0.55 0.00 0.00 66.41 64.79 2enk h THR 46 Cb 0.42 1.12 -0.08 0.00 -1.73 0.00 0.00 68.15 67.89 2enk h THR 46 CO 0.06 0.06 -0.51 -0.70 -0.25 0.00 0.00 175.52 174.17 2enk s GLU 47 N -4.80 3.33 0.14 4.72 -6.30 -1.26 -5.02 118.70 109.51 2enk s GLU 47 Ca -0.05 -0.28 -0.18 0.00 -2.50 0.00 0.00 54.97 51.97 2enk s GLU 47 Cb 0.16 -3.06 0.02 0.00 0.00 0.00 0.00 34.13 31.25 2enk s GLU 47 CO 0.65 0.72 1.74 0.77 0.02 0.00 0.00 175.26 179.15 2enk h SER 48 N 4.49 0.03 -3.41 -1.70 0.02 -1.97 -3.48 113.55 107.53 2enk h SER 48 Ca -0.52 0.04 0.38 0.00 -0.84 0.00 0.00 61.79 60.86 2enk h SER 48 Cb 1.20 0.05 -0.13 0.00 0.14 0.00 0.00 62.40 63.67 2enk h SER 48 CO 0.62 0.05 -0.81 0.33 -1.14 0.00 0.00 176.83 175.88 2enk n PHE 49 N -5.08 -3.76 -4.13 3.45 7.35 -1.26 -4.79 117.46 109.24 2enk n PHE 49 Ca -0.00 1.94 -0.12 0.00 -0.76 0.00 0.00 57.45 58.51 2enk n PHE 49 Cb 0.12 -3.41 -0.11 0.00 0.35 0.00 0.00 39.48 36.43 2enk n PHE 49 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2enk s THR 50 N -2.98 0.65 0.16 -2.13 2.01 -1.26 -4.78 115.64 107.31 2enk s THR 50 Ca 0.00 -1.62 -0.06 0.00 0.31 0.00 0.00 61.69 60.32 2enk s THR 50 Cb 0.00 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 2enk s THR 50 CO 0.00 -0.68 0.20 0.68 -0.69 0.00 0.00 174.62 174.12 2enk s VAL 51 N -2.77 0.07 0.40 3.82 -7.23 -1.17 -4.42 120.40 109.09 2enk s VAL 51 Ca 0.04 -1.61 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2enk s VAL 51 Cb -0.01 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 2enk s VAL 51 CO -0.03 -0.34 0.15 -0.31 -0.31 0.00 0.00 175.10 174.27 2enk s TYR 52 N -4.01 1.77 -0.15 2.82 2.02 -1.03 -3.18 117.35 115.60 2enk s TYR 52 Ca 0.21 -1.35 -0.08 0.00 -0.37 0.00 0.00 57.07 55.48 2enk s TYR 52 Cb 0.05 -1.08 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 2enk s TYR 52 CO 0.02 -0.40 0.11 -0.51 -1.57 0.00 0.00 175.55 173.20 2enk s LEU 53 N -3.57 4.18 0.39 -1.29 1.43 -1.26 -2.25 118.68 116.31 2enk s LEU 53 Ca 0.26 0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.78 2enk s LEU 53 Cb 0.02 -2.04 0.91 0.00 0.03 0.00 0.00 46.19 45.11 2enk s LEU 53 CO 0.17 0.30 1.92 -0.09 0.23 0.00 0.00 176.35 178.87 2enk h ARG 54 N 5.81 0.56 0.00 1.70 9.65 -1.91 0.10 114.38 130.29 2enk h ARG 54 Ca -0.47 -0.03 -0.13 0.00 -1.10 0.00 0.00 59.98 58.24 2enk h ARG 54 Cb 1.19 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 2enk h ARG 54 CO 0.66 0.37 -0.64 0.77 2.80 0.00 0.00 179.97 183.92 2enk h SER 55 N 0.57 0.00 -0.02 -3.80 0.02 -1.95 -2.95 113.55 105.43 2enk h SER 55 Ca 0.37 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.06 2enk h SER 55 Cb 0.63 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.19 2enk h SER 55 CO -0.13 0.64 -0.98 0.44 -1.14 0.00 0.00 176.83 175.65 2enk h ASP 56 N 0.00 0.91 0.22 3.07 5.19 -1.29 -3.21 116.42 121.31 2enk h ASP 56 Ca -0.01 -0.70 -0.06 0.00 -0.62 0.00 0.00 57.03 55.64 2enk h ASP 56 Cb 1.24 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.46 2enk h ASP 56 CO 0.08 1.50 -0.26 0.58 -3.12 0.00 0.00 179.24 178.02 2enk h VAL 57 N 0.42 1.21 0.49 -1.35 2.07 -1.06 -3.09 116.25 114.94 2enk h VAL 57 Ca -0.11 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2enk h VAL 57 Cb 1.63 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.85 2enk h VAL 57 CO 0.19 0.29 -0.48 -0.08 0.02 0.00 0.00 177.57 177.51 2enk h GLU 58 N 0.08 -0.94 -0.70 1.57 4.81 -1.52 -2.24 114.58 115.63 2enk h GLU 58 Ca 0.01 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 2enk h GLU 58 Cb 0.51 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 2enk h GLU 58 CO 0.04 -0.63 0.30 0.00 -0.73 0.00 0.00 179.01 177.99 2enk h ALA 59 N -0.78 0.96 -0.32 2.92 0.00 -1.64 0.16 119.26 120.56 2enk h ALA 59 Ca -0.06 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2enk h ALA 59 Cb 0.85 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2enk h ALA 59 CO -0.06 -0.15 0.31 -0.22 0.00 0.00 0.00 179.25 179.12 2enk h LYS 60 N 0.48 0.00 0.00 0.00 1.63 -1.39 0.30 116.57 117.59 2enk h LYS 60 Ca 0.37 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 60.02 2enk h LYS 60 Cb 0.48 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 2enk h LYS 60 CO -0.34 0.00 -0.81 0.66 -3.45 0.00 0.00 179.45 175.52 2enk h SER 61 N 0.00 0.00 0.60 4.20 4.64 -0.11 -3.02 113.55 119.87 2enk h SER 61 Ca 0.15 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.19 2enk h SER 61 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2enk h SER 61 CO -0.00 0.65 -1.44 -0.07 -0.87 0.00 0.00 176.83 175.09 2enk h LEU 62 N 0.00 0.18 -0.74 5.97 3.38 -0.13 -2.48 115.31 121.49 2enk h LEU 62 Ca -0.04 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 2enk h LEU 62 Cb 1.53 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2enk h LEU 62 CO 0.08 1.22 -0.36 1.05 0.09 0.00 0.00 178.44 180.52 2enk h GLU 63 N 0.03 0.00 0.00 1.13 -0.00 -0.84 -1.01 114.58 113.90 2enk h GLU 63 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.17 2enk h GLU 63 Cb 1.95 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.70 2enk h GLU 63 CO 0.13 0.36 0.00 0.28 -0.00 0.00 0.00 179.01 179.78 2enk n VAL 64 N -3.40 0.00 0.20 -1.06 0.31 -1.14 -4.51 118.33 108.73 2enk n VAL 64 Ca 0.00 0.34 0.07 0.00 -0.01 0.00 0.00 64.34 64.74 2enk n VAL 64 Cb 0.54 -1.21 0.59 0.00 -0.91 0.00 0.00 33.84 32.85 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 0.11 0.00 3.52 4.06 -1.63 -3.46 115.95 118.55 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 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 2enk h TRP 65 CO 0.00 0.08 0.00 0.41 -3.56 0.00 0.00 178.44 175.37 2enk n GLY 66 N -1.50 3.06 3.34 1.49 0.00 -0.38 -4.96 105.19 106.24 2enk n GLY 66 Ca -0.02 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.00 -0.24 0.51 1.61 1.04 -1.24 -4.71 113.70 110.67 2enk s SER 67 Ca 0.00 -0.34 0.33 0.00 0.48 0.00 0.00 55.95 56.42 2enk s SER 67 Cb 0.00 0.49 1.35 0.00 0.10 0.00 0.00 66.02 67.96 2enk s SER 67 CO 0.00 -0.88 1.96 1.55 0.98 0.00 0.00 173.24 176.85 2enk h PRO 68 N 2.34 0.00 -0.20 4.02 0.13 -1.92 -2.98 132.00 133.39 2enk h PRO 68 Ca -0.33 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.60 2enk h PRO 68 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2enk h PRO 68 CO 0.46 0.00 -0.64 0.93 -0.23 0.00 0.00 178.00 178.52 2enk h GLU 69 N 0.00 0.73 -0.64 0.86 5.08 -1.98 -1.79 114.58 116.84 2enk h GLU 69 Ca 0.00 -0.52 0.07 0.00 -1.00 0.00 0.00 59.36 57.92 2enk h GLU 69 Cb 0.47 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2enk h GLU 69 CO 0.00 1.14 0.31 0.00 -1.00 0.00 0.00 179.01 179.46 2enk h ALA 70 N 0.74 0.85 -0.04 3.43 0.00 -1.89 -1.98 119.26 120.37 2enk h ALA 70 Ca -0.01 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 2enk h ALA 70 Cb 1.23 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.99 2enk h ALA 70 CO 0.13 -0.06 -0.98 1.25 0.00 0.00 0.00 179.25 179.59 2enk h LEU 71 N 0.56 0.89 -2.01 0.00 5.85 -1.67 -3.17 115.31 115.76 2enk h LEU 71 Ca 0.30 -0.68 0.15 0.00 0.84 0.00 0.00 57.88 58.50 2enk h LEU 71 Cb 0.28 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2enk h LEU 71 CO -0.23 1.48 0.41 0.00 -0.34 0.00 0.00 178.44 179.76 2enk h ALA 72 N 0.47 2.43 -0.54 1.25 0.00 -0.82 -0.91 119.26 121.14 2enk h ALA 72 Ca -0.11 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2enk h ALA 72 Cb 1.62 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 2enk h ALA 72 CO 0.19 -0.68 0.24 0.00 0.00 0.00 0.00 179.25 179.01 2enk h ARG 73 N 0.00 0.45 0.21 0.00 3.08 -1.34 -0.32 114.38 116.45 2enk h ARG 73 Ca 0.25 -0.03 -0.31 0.00 0.07 0.00 0.00 59.98 59.96 2enk h ARG 73 Cb 1.06 -0.10 0.04 0.00 0.08 0.00 0.00 29.97 31.05 2enk h ARG 73 CO -0.00 0.30 -1.35 0.93 -1.07 0.00 0.00 179.97 178.78 2enk h GLU 74 N 0.46 0.54 -0.88 0.04 4.39 -1.37 -3.31 114.58 114.46 2enk h GLU 74 Ca 0.25 -0.86 0.12 0.00 0.34 0.00 0.00 59.36 59.21 2enk h GLU 74 Cb 0.21 0.31 -0.08 0.00 -0.10 0.00 0.00 28.75 29.09 2enk h GLU 74 CO -0.21 1.41 0.50 0.87 -1.16 0.00 0.00 179.01 180.42 2enk h LYS 75 N 0.12 0.75 -0.93 2.33 1.57 -1.06 -0.71 116.57 118.64 2enk h LYS 75 Ca -0.23 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.65 2enk h LYS 75 Cb 2.05 -0.17 -0.09 0.00 0.08 0.00 0.00 32.23 34.10 2enk h LYS 75 CO 0.25 0.49 0.54 -0.22 -0.57 0.00 0.00 179.45 179.95 2enk h LYS 76 N 0.77 0.77 0.45 3.15 3.64 -1.15 0.39 116.57 124.58 2enk h LYS 76 Ca 0.45 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 2enk h LYS 76 Cb 0.51 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2enk h LYS 76 CO -0.30 0.51 -0.21 -0.07 -2.27 0.00 0.00 179.45 177.10 2enk h LEU 77 N 0.79 -0.51 -2.14 5.20 -0.00 -1.27 -1.73 115.31 115.66 2enk h LEU 77 Ca 0.49 -0.09 0.07 0.00 -0.00 0.00 0.00 57.88 58.36 2enk h LEU 77 Cb 0.62 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2enk h LEU 77 CO -0.32 -0.19 0.24 0.03 -0.00 0.00 0.00 178.44 178.20 2enk h ARG 78 N -0.85 0.00 0.21 1.13 3.08 -1.08 0.52 114.38 117.38 2enk h ARG 78 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 2enk h ARG 78 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2enk h ARG 78 CO 0.10 0.00 -0.10 -0.22 -1.07 0.00 0.00 179.97 178.68 2enk h LYS 79 N 0.00 -0.27 -0.31 0.04 3.64 -0.68 -3.12 116.57 115.87 2enk h LYS 79 Ca 0.12 0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2enk h LYS 79 Cb 0.61 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2enk h LYS 79 CO -0.00 0.11 0.08 0.93 -2.27 0.00 0.00 179.45 178.30 2enk h GLU 80 N -0.91 0.44 -0.84 1.90 5.08 -0.77 -2.23 114.58 117.25 2enk h GLU 80 Ca -0.03 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2enk h GLU 80 Cb 0.50 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2enk h GLU 80 CO 0.05 0.41 0.55 0.00 -1.00 0.00 0.00 179.01 179.02 2enk h ALA 81 N 1.65 1.55 -0.13 3.43 0.00 -0.97 0.55 119.26 125.34 2enk h ALA 81 Ca 0.11 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 2enk h ALA 81 Cb 0.17 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.71 2enk h ALA 81 CO -0.00 0.34 -0.79 0.93 0.00 0.00 0.00 179.25 179.72 2enk h GLU 82 N 0.97 0.73 -0.52 0.00 5.08 -1.34 -2.62 114.58 116.87 2enk h GLU 82 Ca 0.35 -0.61 -0.07 0.00 -1.00 0.00 0.00 59.36 58.04 2enk h GLU 82 Cb 0.16 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2enk h GLU 82 CO -0.12 1.22 0.05 0.82 -1.00 0.00 0.00 179.01 179.97 2enk h ILE 83 N 0.49 1.26 -0.07 3.13 2.04 -1.10 -0.93 117.51 122.32 2enk h ILE 83 Ca -0.05 -1.01 -0.08 0.00 1.00 0.00 0.00 64.86 64.72 2enk h ILE 83 Cb 1.41 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.38 2enk h ILE 83 CO 0.16 0.36 -0.32 -0.33 0.00 0.00 0.00 178.15 178.02 2enk h GLU 84 N 0.75 0.13 0.21 2.37 4.39 -0.95 0.13 114.58 121.62 2enk h GLU 84 Ca 0.15 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2enk h GLU 84 Cb 0.46 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2enk h GLU 84 CO 0.02 0.44 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.29 2enk h TYR 85 N 0.12 -0.26 0.00 4.33 3.20 -1.18 -3.24 116.97 119.94 2enk h TYR 85 Ca 0.02 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 2enk h TYR 85 Cb 0.62 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 2enk h TYR 85 CO 0.01 0.06 -0.10 0.07 -1.64 0.00 0.00 178.16 176.56 2enk h ARG 86 N -0.97 0.00 0.28 1.82 -0.00 -1.19 -2.80 114.38 111.51 2enk h ARG 86 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.94 2enk h ARG 86 Cb 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.41 2enk h ARG 86 CO 0.05 0.10 -0.23 0.93 -0.00 0.00 0.00 179.97 180.82 2enk h GLU 87 N 0.00 -0.48 -0.18 0.08 4.39 -1.01 -2.09 114.58 115.28 2enk h GLU 87 Ca -0.00 0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.76 2enk h GLU 87 Cb 0.24 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2enk h GLU 87 CO 0.01 -0.32 0.13 0.07 -1.16 0.00 0.00 179.01 177.74 2enk h ARG 88 N -0.50 0.10 0.23 2.33 0.11 -1.57 -2.66 114.38 112.42 2enk h ARG 88 Ca -0.04 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 60.05 2enk h ARG 88 Cb 0.42 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.45 2enk h ARG 88 CO -0.00 0.07 -0.35 -0.07 0.10 0.00 0.00 179.97 179.72 2enk h LEU 89 N 0.10 -0.98 -0.45 0.08 4.07 -1.19 -1.11 115.31 115.84 2enk h LEU 89 Ca 0.08 0.10 0.01 0.00 0.08 0.00 0.00 57.88 58.15 2enk h LEU 89 Cb 0.19 0.35 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 2enk h LEU 89 CO -0.01 -0.46 0.29 -0.26 -1.08 0.00 0.00 178.44 176.92 2enk h PHE 90 N -0.65 0.54 -0.85 1.13 0.04 -1.06 -2.05 116.94 114.05 2enk h PHE 90 Ca 0.00 0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.96 2enk h PHE 90 Cb 0.63 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.54 2enk h PHE 90 CO -0.26 0.33 0.56 -0.09 -0.60 0.00 0.00 178.31 178.25 2enk h ARG 91 N 0.58 0.48 -0.56 1.51 2.43 -1.21 0.10 114.38 117.72 2enk h ARG 91 Ca 0.17 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2enk h ARG 91 Cb -0.04 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.38 2enk h ARG 91 CO -0.05 0.32 0.37 -0.97 -1.51 0.00 0.00 179.97 178.12 2enk h ASN 92 N 0.49 0.65 0.43 -3.80 -0.73 -0.45 -1.15 115.58 111.01 2enk h ASN 92 Ca 0.43 -0.02 -0.06 0.00 1.87 0.00 0.00 56.30 58.52 2enk h ASN 92 Cb 0.94 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 2enk h ASN 92 CO -0.17 0.47 -0.30 -0.61 -0.37 0.00 0.00 177.43 176.46 2enk h GLN 93 N 0.76 0.00 -5.05 6.67 4.15 -0.79 -3.48 115.11 117.37 2enk h GLN 93 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.63 2enk h GLN 93 Cb -0.08 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 27.50 2enk h GLN 93 CO -0.04 0.30 -1.48 1.63 -1.93 0.00 0.00 178.83 177.30 2enk n LYS 94 N -3.92 -4.38 0.15 1.69 5.02 -0.44 -4.81 118.16 111.47 2enk n LYS 94 Ca -0.02 3.33 0.17 0.00 -2.02 0.00 0.00 58.31 59.77 2enk n LYS 94 Cb 0.37 -5.12 0.75 0.00 -0.02 0.00 0.00 35.03 31.01 2enk n LYS 94 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2enk h ILE 95 N 3.92 0.65 -4.97 -0.18 2.10 -1.84 -3.47 117.51 113.71 2enk h ILE 95 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 2enk h ILE 95 Cb 1.03 0.83 -0.06 0.00 -1.09 0.00 0.00 36.82 37.53 2enk h ILE 95 CO 0.03 0.00 -1.22 -0.11 -1.08 0.00 0.00 178.15 175.77 2enk n LEU 96 N -4.12 -6.94 -3.74 2.19 0.00 -1.26 -5.06 117.00 98.06 2enk n LEU 96 Ca 0.03 1.76 -0.13 0.00 0.00 0.00 0.00 56.01 57.68 2enk n LEU 96 Cb 0.38 -3.23 -0.14 0.00 0.00 0.00 0.00 43.42 40.44 2enk n LEU 96 CO 0.32 -3.45 -0.16 -0.13 0.00 0.00 0.00 177.39 173.96 2enk s ARG 97 N -1.16 0.16 0.71 1.96 1.81 -1.26 -5.15 118.95 116.02 2enk s ARG 97 Ca -0.13 0.45 -0.15 0.00 -1.72 0.00 0.00 55.73 54.17 2enk s ARG 97 Cb 0.01 -0.12 0.03 0.00 -0.45 0.00 0.00 34.95 34.41 2enk s ARG 97 CO 0.76 -0.15 1.20 -2.00 -0.68 0.00 0.00 175.30 174.43 2enk s GLU 98 N 1.13 2.29 0.21 3.54 2.12 -1.26 -4.90 118.70 121.83 2enk s GLU 98 Ca -0.08 1.75 -0.32 0.00 0.36 0.00 0.00 54.97 56.67 2enk s GLU 98 Cb -0.10 -1.85 -0.14 0.00 0.26 0.00 0.00 34.13 32.30 2enk s GLU 98 CO -0.07 -1.72 1.38 2.48 -0.54 0.00 0.00 175.26 176.80 2enk n TYR 99 N -2.55 1.97 -1.44 5.30 4.11 -1.26 -4.94 117.16 118.35 2enk n TYR 99 Ca 0.13 0.47 -0.32 0.00 -0.00 0.00 0.00 57.90 58.19 2enk n TYR 99 Cb 0.50 -2.43 0.07 0.00 -0.00 0.00 0.00 39.34 37.49 2enk n TYR 99 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.86 175.88 2enk s ARG 100 N -0.17 2.48 0.00 -3.48 1.04 -1.26 -5.34 118.95 112.22 2enk s ARG 100 Ca 0.72 1.22 0.00 0.00 -1.04 0.00 0.00 55.73 56.63 2enk s ARG 100 Cb -0.71 -1.92 0.00 0.00 -2.04 0.00 0.00 34.95 30.28 2enk s ARG 100 CO 0.48 -1.48 0.00 -3.47 -0.04 0.00 0.00 175.30 170.80