#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 -2.44 -0.07 1.61 7.64 -1.26 -5.04 113.62 114.06 2enk n SER 2 Ca 0.00 -2.56 -0.09 0.00 1.01 0.00 0.00 58.87 57.24 2enk n SER 2 Cb 0.00 1.40 -0.05 0.00 -1.01 0.00 0.00 64.21 64.56 2enk n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2enk h SER 3 N 4.01 0.00 0.00 6.43 0.02 -2.07 -3.51 113.55 118.43 2enk h SER 3 Ca -0.11 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2enk h SER 3 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2enk h SER 3 CO 0.08 0.90 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 2enk n GLY 4 N 1.61 -0.94 2.56 -3.77 0.00 -1.26 -5.01 105.19 98.39 2enk n GLY 4 Ca -0.12 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2enk n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2enk n SER 5 N 0.00 6.13 -2.97 1.61 3.41 -1.26 -4.96 113.62 115.58 2enk n SER 5 Ca 0.00 -3.78 -0.08 0.00 -0.26 0.00 0.00 58.87 54.75 2enk n SER 5 Cb 0.00 -0.73 0.01 0.00 -0.26 0.00 0.00 64.21 63.23 2enk n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2enk n SER 6 N -0.58 -7.33 0.00 4.04 7.64 -1.26 -4.85 113.62 111.28 2enk n SER 6 Ca 0.48 0.74 0.00 0.00 1.01 0.00 0.00 58.87 61.10 2enk n SER 6 Cb 0.54 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.73 2enk n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2enk n GLY 7 N 0.43 -1.76 0.36 0.23 0.00 -1.26 -4.88 105.19 98.31 2enk n GLY 7 Ca 0.02 -2.09 -0.18 0.00 0.00 0.00 0.00 46.02 43.77 2enk n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2enk n LYS 8 N -0.01 0.42 -4.05 1.61 5.02 -1.26 -4.96 118.16 114.94 2enk n LYS 8 Ca 0.00 0.18 -0.12 0.00 -2.02 0.00 0.00 58.31 56.35 2enk n LYS 8 Cb 0.00 -1.21 -0.04 0.00 -0.02 0.00 0.00 35.03 33.75 2enk n LYS 8 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2enk s TYR 9 N -2.46 0.80 0.04 2.13 -0.85 -1.26 -5.04 117.35 110.71 2enk s TYR 9 Ca -0.27 -1.10 -0.27 0.00 -0.52 0.00 0.00 57.07 54.91 2enk s TYR 9 Cb 0.09 0.04 0.10 0.00 0.38 0.00 0.00 41.96 42.56 2enk s TYR 9 CO 0.35 -1.10 1.21 0.95 -1.52 0.00 0.00 175.55 175.43 2enk s THR 10 N -3.34 0.00 -0.43 -3.49 -4.23 -1.26 -5.12 115.64 97.77 2enk s THR 10 Ca 0.28 -0.32 -0.10 0.00 -1.18 0.00 0.00 61.69 60.37 2enk s THR 10 Cb -0.00 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.35 2enk s THR 10 CO 0.16 0.00 0.29 -1.10 -0.54 0.00 0.00 174.62 173.43 2enk s GLN 11 N -2.28 2.65 0.28 3.99 -0.21 -1.26 -5.06 119.66 117.77 2enk s GLN 11 Ca 0.22 -1.47 0.02 0.00 0.02 0.00 0.00 55.36 54.14 2enk s GLN 11 Cb 0.01 -3.85 -0.05 0.00 1.00 0.00 0.00 33.01 30.12 2enk s GLN 11 CO -0.00 -0.99 0.12 -0.80 -2.12 0.00 0.00 175.29 171.50 2enk s ASN 12 N 2.25 1.42 0.22 5.90 0.01 -1.26 -5.05 114.94 118.43 2enk s ASN 12 Ca 0.03 -1.45 0.11 0.00 -0.71 0.00 0.00 52.86 50.84 2enk s ASN 12 Cb -0.24 0.24 0.11 0.00 0.41 0.00 0.00 41.25 41.77 2enk s ASN 12 CO 0.02 -0.78 1.46 -1.13 -1.51 0.00 0.00 177.10 175.16 2enk h ASN 13 N 2.29 0.00 -1.57 -1.22 -1.24 -1.99 -3.46 115.58 108.40 2enk h ASN 13 Ca -0.37 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.14 2enk h ASN 13 Cb 1.25 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 40.26 2enk h ASN 13 CO 0.58 0.72 -0.41 -0.36 -1.29 0.00 0.00 177.43 176.68 2enk s PHE 14 N -3.10 2.71 -0.05 0.67 0.08 -1.26 -4.50 117.98 112.52 2enk s PHE 14 Ca 0.01 -0.49 0.06 0.00 0.12 0.00 0.00 56.93 56.63 2enk s PHE 14 Cb 0.10 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 2enk s PHE 14 CO 0.77 -0.03 -0.24 -1.50 -0.10 0.00 0.00 175.22 174.12 2enk s ILE 15 N -2.48 1.97 0.69 0.64 2.07 -0.51 -4.94 121.20 118.65 2enk s ILE 15 Ca 0.46 -1.03 -0.17 0.00 -1.41 0.00 0.00 60.65 58.50 2enk s ILE 15 Cb -0.02 -1.66 0.01 0.00 0.13 0.00 0.00 42.46 40.92 2enk s ILE 15 CO 0.27 0.55 1.28 -0.89 -1.91 0.00 0.00 174.94 174.23 2enk s THR 16 N -0.26 2.02 0.01 4.00 2.01 -1.26 -1.26 115.64 120.91 2enk s THR 16 Ca -0.00 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 2enk s THR 16 Cb -0.12 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2enk s THR 16 CO 0.02 -0.00 1.12 1.23 -0.69 0.00 0.00 174.62 176.30 2enk h GLY 17 N 0.18 -0.40 0.44 4.40 0.00 -1.91 -1.81 103.07 103.98 2enk h GLY 17 Ca -0.50 0.16 0.22 0.00 0.00 0.00 0.00 47.33 47.21 2enk h GLY 17 CO 0.51 -0.14 0.56 -0.24 0.00 0.00 0.00 176.54 177.23 2enk h VAL 18 N -0.27 0.59 -0.56 4.60 3.04 -1.93 0.19 116.25 121.92 2enk h VAL 18 Ca -0.03 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.58 2enk h VAL 18 Cb 0.21 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 30.07 2enk h VAL 18 CO 0.04 0.00 0.01 0.03 -1.01 0.00 0.00 177.57 176.64 2enk h ARG 19 N 0.00 0.96 0.00 4.17 2.47 -1.87 -2.18 114.38 117.92 2enk h ARG 19 Ca 0.36 -0.28 -0.17 0.00 -1.26 0.00 0.00 59.98 58.63 2enk h ARG 19 Cb 1.49 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.68 2enk h ARG 19 CO -0.00 0.94 -0.82 0.00 0.56 0.00 0.00 179.97 180.64 2enk h ALA 20 N 1.12 0.47 0.00 0.04 0.00 0.20 -2.63 119.26 118.46 2enk h ALA 20 Ca 0.17 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 2enk h ALA 20 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2enk h ALA 20 CO 0.02 1.03 -0.29 0.82 0.00 0.00 0.00 179.25 180.83 2enk h ILE 21 N 0.00 0.74 0.00 0.00 2.04 -0.97 0.18 117.51 119.50 2enk h ILE 21 Ca -0.01 -1.27 -0.26 0.00 1.00 0.00 0.00 64.86 64.32 2enk h ILE 21 Cb 1.62 1.81 -0.05 0.00 -0.74 0.00 0.00 36.82 39.47 2enk h ILE 21 CO 0.11 0.29 -1.70 0.59 0.00 0.00 0.00 178.15 177.43 2enk n ASN 22 N -3.50 0.76 -0.06 1.72 3.02 -0.84 -2.69 115.26 113.66 2enk n ASN 22 Ca -0.00 0.35 -0.03 0.00 -0.03 0.00 0.00 54.58 54.87 2enk n ASN 22 Cb 0.45 0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.77 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 5.08 -1.35 -3.37 114.58 118.46 2enk h GLU 23 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2enk h GLU 23 Cb 1.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.14 2enk h GLU 23 CO 0.06 0.00 0.00 0.74 -1.00 0.00 0.00 179.01 178.81 2enk h PHE 24 N -0.98 0.00 -5.05 4.33 -1.00 -0.87 -3.48 116.94 109.90 2enk h PHE 24 Ca 0.00 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.52 2enk h PHE 24 Cb 0.29 0.00 0.15 0.00 3.61 0.00 0.00 35.95 40.00 2enk h PHE 24 CO -0.13 0.00 -0.66 0.00 -1.61 0.00 0.00 178.31 175.91 2enk n LEU 26 N -3.46 0.00 -4.90 0.00 4.77 -1.14 -5.01 117.00 107.25 2enk n LEU 26 Ca -0.20 -0.79 -0.21 0.00 -0.03 0.00 0.00 56.01 54.78 2enk n LEU 26 Cb 0.63 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 2enk n LEU 26 CO 0.51 -0.57 0.04 -0.54 -1.33 0.00 0.00 177.39 175.50 2enk s LYS 27 N -2.84 2.53 0.02 3.23 3.01 -1.26 -4.86 119.74 119.57 2enk s LYS 27 Ca 0.19 -1.56 -0.25 0.00 -1.01 0.00 0.00 55.97 53.35 2enk s LYS 27 Cb -0.02 -2.41 -0.18 0.00 -1.01 0.00 0.00 37.83 34.22 2enk s LYS 27 CO 0.12 -0.28 1.42 0.77 0.51 0.00 0.00 175.35 177.89 2enk h SER 28 N 0.90 -0.10 0.41 2.83 0.02 -2.00 -2.87 113.55 112.74 2enk h SER 28 Ca -0.40 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 60.26 2enk h SER 28 Cb 1.27 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2enk h SER 28 CO 0.55 0.19 -0.21 0.28 -1.14 0.00 0.00 176.83 176.51 2enk h SER 29 N -0.41 0.00 0.96 3.07 0.02 -1.99 -3.06 113.55 112.14 2enk h SER 29 Ca -0.01 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2enk h SER 29 Cb 0.34 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.89 2enk h SER 29 CO 0.02 0.21 -0.46 0.44 -1.14 0.00 0.00 176.83 175.90 2enk h ASP 30 N 0.00 -1.09 -0.38 3.07 5.19 -1.92 -1.91 116.42 119.39 2enk h ASP 30 Ca -0.00 0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.52 2enk h ASP 30 Cb 0.47 0.28 -0.07 0.00 0.18 0.00 0.00 39.33 40.18 2enk h ASP 30 CO 0.03 -0.76 -0.12 -0.07 -3.12 0.00 0.00 179.24 175.20 2enk h LEU 31 N -1.33 -0.43 -1.66 1.55 -0.00 -1.47 0.57 115.31 112.54 2enk h LEU 31 Ca -0.13 0.12 0.18 0.00 -0.00 0.00 0.00 57.88 58.05 2enk h LEU 31 Cb 0.99 0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.86 2enk h LEU 31 CO 0.22 -0.15 0.53 -0.33 -0.00 0.00 0.00 178.44 178.70 2enk h GLU 32 N -0.04 0.30 -0.23 1.13 4.39 -1.49 0.17 114.58 118.81 2enk h GLU 32 Ca 0.18 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2enk h GLU 32 Cb 0.32 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2enk h GLU 32 CO -0.41 0.20 0.13 0.37 -1.16 0.00 0.00 179.01 178.14 2enk h GLN 33 N 0.31 0.31 0.00 2.33 5.75 -0.04 -3.43 115.11 120.34 2enk h GLN 33 Ca 0.39 -0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 58.68 2enk h GLN 33 Cb 1.06 -0.07 0.10 0.00 1.07 0.00 0.00 27.48 29.64 2enk h GLN 33 CO -0.11 0.23 0.04 1.28 -2.65 0.00 0.00 178.83 177.62 2enk n LEU 34 N -4.48 0.00 -4.59 -2.39 4.77 0.60 -4.90 117.00 106.01 2enk n LEU 34 Ca 0.00 -0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 55.02 2enk n LEU 34 Cb 0.09 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 2enk n LEU 34 CO 0.35 -1.65 1.30 -0.60 -1.33 0.00 0.00 177.39 175.47 2enk s ARG 35 N -4.16 3.45 -0.62 3.23 3.52 -1.26 -4.94 118.95 118.17 2enk s ARG 35 Ca 0.34 0.93 -0.26 0.00 -0.13 0.00 0.00 55.73 56.60 2enk s ARG 35 Cb -0.04 -4.08 -0.02 0.00 -1.56 0.00 0.00 34.95 29.25 2enk s ARG 35 CO 0.26 -1.72 1.86 0.15 -0.81 0.00 0.00 175.30 175.04 2enk s LYS 36 N 5.23 2.63 -0.41 5.12 1.02 -1.26 -4.69 119.74 127.39 2enk s LYS 36 Ca 0.63 0.56 -0.29 0.00 0.02 0.00 0.00 55.97 56.90 2enk s LYS 36 Cb -0.15 -4.41 0.00 0.00 -0.52 0.00 0.00 37.83 32.76 2enk s LYS 36 CO 0.31 -2.75 1.50 0.42 -0.92 0.00 0.00 175.35 173.91 2enk s ILE 37 N 9.08 3.80 -1.04 2.17 -1.09 -1.15 -4.93 121.20 128.03 2enk s ILE 37 Ca 0.67 0.80 -0.23 0.00 -2.23 0.00 0.00 60.65 59.66 2enk s ILE 37 Cb -0.12 -4.09 0.02 0.00 -1.58 0.00 0.00 42.46 36.68 2enk s ILE 37 CO 0.20 -0.71 1.66 -0.60 -1.23 0.00 0.00 174.94 174.26 2enk s ARG 38 N 5.15 3.28 -0.11 2.79 3.52 -1.26 -4.00 118.95 128.33 2enk s ARG 38 Ca 0.65 -1.03 -0.05 0.00 -0.13 0.00 0.00 55.73 55.17 2enk s ARG 38 Cb -0.15 -5.30 -0.02 0.00 -1.56 0.00 0.00 34.95 27.92 2enk s ARG 38 CO 0.32 -2.67 -0.10 0.00 -0.81 0.00 0.00 175.30 172.04 2enk h ARG 39 N 9.87 0.00 -3.82 5.12 2.47 -1.91 -3.48 114.38 122.62 2enk h ARG 39 Ca 0.21 0.00 -0.40 0.00 -1.26 0.00 0.00 59.98 58.53 2enk h ARG 39 Cb 0.98 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 28.95 2enk h ARG 39 CO 1.36 0.00 -0.76 0.50 0.56 0.00 0.00 179.97 181.63 2enk s ARG 40 N -1.86 0.59 -0.39 0.04 3.52 -1.26 -5.06 118.95 114.53 2enk s ARG 40 Ca -0.08 0.02 -0.00 0.00 -0.13 0.00 0.00 55.73 55.54 2enk s ARG 40 Cb 0.01 -0.77 0.25 0.00 -1.56 0.00 0.00 34.95 32.88 2enk s ARG 40 CO 0.12 -0.17 1.07 0.45 -0.81 0.00 0.00 175.30 175.97 2enk n SER 41 N 4.43 -1.97 -0.08 -2.12 2.88 -1.26 -4.65 113.62 110.84 2enk n SER 41 Ca -0.19 -2.15 -0.12 0.00 -1.33 0.00 0.00 58.87 55.08 2enk n SER 41 Cb 0.50 1.12 0.01 0.00 -0.75 0.00 0.00 64.21 65.10 2enk n SER 41 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2enk h PRO 42 N 3.75 0.82 0.00 -1.46 0.13 -1.99 -3.34 132.00 129.92 2enk h PRO 42 Ca -0.14 -0.44 -0.32 0.00 -0.87 0.00 0.00 66.00 64.24 2enk h PRO 42 Cb 1.14 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 2enk h PRO 42 CO -0.02 1.07 -2.19 1.58 -0.23 0.00 0.00 178.00 178.21 2enk n HIS 43 N -4.04 0.00 -3.43 1.56 -0.00 -1.26 -5.04 115.22 103.00 2enk n HIS 43 Ca -0.02 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.96 2enk n HIS 43 Cb 0.55 -0.83 0.04 0.00 -0.12 0.00 0.00 29.99 29.63 2enk n HIS 43 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2enk n GLU 44 N -2.89 -1.62 0.05 1.57 2.13 -1.26 -4.96 120.64 113.66 2enk n GLU 44 Ca -0.33 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2enk n GLU 44 Cb 0.98 -4.89 0.00 0.00 0.27 0.00 0.00 31.44 27.79 2enk n GLU 44 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2enk n ASP 45 N -2.73 0.90 -2.17 4.31 -0.08 -1.26 -5.01 116.55 110.50 2enk n ASP 45 Ca -0.08 0.13 -0.02 0.00 -1.51 0.00 0.00 54.79 53.31 2enk n ASP 45 Cb 0.59 -0.26 0.04 0.00 2.34 0.00 0.00 41.12 43.84 2enk n ASP 45 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2enk n THR 46 N -3.42 0.00 -4.04 5.18 5.66 -1.26 -5.16 114.28 111.24 2enk n THR 46 Ca 0.00 -0.54 -0.03 0.00 -3.05 0.00 0.00 64.05 60.43 2enk n THR 46 Cb 0.08 0.70 -0.01 0.00 -1.55 0.00 0.00 70.33 69.55 2enk n THR 46 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2enk n GLU 47 N -0.60 0.21 -1.29 1.09 1.02 -1.26 -5.13 120.64 114.68 2enk n GLU 47 Ca -0.11 -0.44 0.17 0.00 -0.02 0.00 0.00 57.16 56.76 2enk n GLU 47 Cb 0.67 0.34 -0.05 0.00 -0.02 0.00 0.00 31.44 32.37 2enk n GLU 47 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2enk n SER 48 N -2.68 -7.69 -3.97 1.62 7.64 -1.26 -4.91 113.62 102.37 2enk n SER 48 Ca 0.01 0.68 -0.22 0.00 1.01 0.00 0.00 58.87 60.34 2enk n SER 48 Cb 0.08 -4.01 -0.16 0.00 -1.01 0.00 0.00 64.21 59.11 2enk n SER 48 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2enk s PHE 49 N -2.51 1.13 -0.29 1.43 -0.71 -1.26 -5.12 117.98 110.64 2enk s PHE 49 Ca 0.00 -0.37 -0.20 0.00 -1.04 0.00 0.00 56.93 55.32 2enk s PHE 49 Cb 0.00 -0.87 -0.01 0.00 -1.21 0.00 0.00 43.02 40.93 2enk s PHE 49 CO 0.00 -0.22 0.59 0.99 -1.34 0.00 0.00 175.22 175.24 2enk s THR 50 N 0.69 4.98 0.70 -4.49 2.01 -1.26 -4.72 115.64 113.55 2enk s THR 50 Ca -0.12 0.87 -0.05 0.00 0.31 0.00 0.00 61.69 62.69 2enk s THR 50 Cb -0.15 -3.95 0.07 0.00 0.01 0.00 0.00 72.50 68.49 2enk s THR 50 CO 0.02 -0.07 0.99 0.68 -0.69 0.00 0.00 174.62 175.56 2enk s VAL 51 N 2.51 2.30 0.21 3.82 -7.23 -1.26 -3.48 120.40 117.28 2enk s VAL 51 Ca 0.24 -0.35 -0.00 0.00 -1.81 0.00 0.00 61.98 60.06 2enk s VAL 51 Cb -0.15 -2.95 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 2enk s VAL 51 CO 0.11 0.00 0.14 -0.31 -0.31 0.00 0.00 175.10 174.73 2enk s TYR 52 N -3.20 1.22 -0.11 2.82 2.02 -0.39 -2.95 117.35 116.76 2enk s TYR 52 Ca 0.61 -1.41 -0.27 0.00 -0.37 0.00 0.00 57.07 55.64 2enk s TYR 52 Cb -0.10 -0.58 -0.02 0.00 -0.40 0.00 0.00 41.96 40.87 2enk s TYR 52 CO 0.44 -0.66 0.87 -0.51 -1.57 0.00 0.00 175.55 174.12 2enk s LEU 53 N -3.18 4.25 0.54 -1.29 2.01 -1.26 -1.42 118.68 118.32 2enk s LEU 53 Ca 0.39 1.33 0.21 0.00 0.01 0.00 0.00 54.13 56.06 2enk s LEU 53 Cb 0.07 -3.32 1.41 0.00 0.01 0.00 0.00 46.19 44.35 2enk s LEU 53 CO 0.14 -0.33 2.14 -0.09 1.01 0.00 0.00 176.35 179.22 2enk h ARG 54 N 7.08 0.00 -0.00 1.70 2.43 -1.92 -0.31 114.38 123.36 2enk h ARG 54 Ca -0.34 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.75 2enk h ARG 54 Cb 1.16 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2enk h ARG 54 CO 0.81 0.00 -0.32 0.77 -1.51 0.00 0.00 179.97 179.72 2enk h SER 55 N 0.00 0.29 -0.29 -3.80 0.02 -1.93 -3.07 113.55 104.77 2enk h SER 55 Ca 0.04 -0.77 -0.01 0.00 -0.84 0.00 0.00 61.79 60.21 2enk h SER 55 Cb 0.17 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2enk h SER 55 CO -0.00 1.02 0.13 0.44 -1.14 0.00 0.00 176.83 177.28 2enk h ASP 56 N -0.41 0.40 -0.27 3.07 3.32 -1.83 -2.39 116.42 118.30 2enk h ASP 56 Ca -0.04 -0.15 0.08 0.00 0.02 0.00 0.00 57.03 56.94 2enk h ASP 56 Cb 1.07 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2enk h ASP 56 CO 0.06 0.44 0.21 0.58 -1.72 0.00 0.00 179.24 178.81 2enk h VAL 57 N 0.33 0.75 -0.44 -1.35 2.07 -1.18 -1.86 116.25 114.58 2enk h VAL 57 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.68 2enk h VAL 57 Cb 0.16 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2enk h VAL 57 CO -0.01 0.00 0.14 -0.08 0.02 0.00 0.00 177.57 177.64 2enk h GLU 58 N 0.00 0.29 -0.10 1.57 4.81 -1.32 -2.05 114.58 117.78 2enk h GLU 58 Ca 0.13 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.17 2enk h GLU 58 Cb 0.55 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2enk h GLU 58 CO -0.00 0.19 -0.67 0.00 -0.73 0.00 0.00 179.01 177.80 2enk h ALA 59 N 1.31 0.66 -0.32 2.92 0.00 -1.42 -3.03 119.26 119.37 2enk h ALA 59 Ca 0.21 -0.58 0.09 0.00 0.00 0.00 0.00 54.91 54.64 2enk h ALA 59 Cb 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2enk h ALA 59 CO -0.23 0.74 0.31 -0.22 0.00 0.00 0.00 179.25 179.84 2enk h LYS 60 N 0.29 0.00 0.00 0.00 3.11 -1.04 0.32 116.57 119.25 2enk h LYS 60 Ca -0.02 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.68 2enk h LYS 60 Cb 1.23 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.43 2enk h LYS 60 CO 0.12 0.00 -0.82 0.66 -2.81 0.00 0.00 179.45 176.60 2enk h SER 61 N 0.00 0.00 0.60 4.20 4.64 -1.34 -3.02 113.55 118.63 2enk h SER 61 Ca 0.15 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.20 2enk h SER 61 Cb 0.76 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 2enk h SER 61 CO -0.00 0.63 -1.48 -0.07 -0.87 0.00 0.00 176.83 175.04 2enk h LEU 62 N 0.00 0.12 -0.70 5.97 3.38 -0.59 -2.58 115.31 120.91 2enk h LEU 62 Ca -0.04 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2enk h LEU 62 Cb 1.52 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 2enk h LEU 62 CO 0.08 1.16 -0.34 1.05 0.09 0.00 0.00 178.44 180.48 2enk h GLU 63 N 0.02 0.00 0.00 1.13 -0.00 -0.69 -1.14 114.58 113.90 2enk h GLU 63 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.15 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 0.11 0.34 0.00 0.28 -0.00 0.00 0.00 179.01 179.74 2enk n VAL 64 N -3.37 0.00 0.29 -1.06 0.31 -1.14 -4.48 118.33 108.88 2enk n VAL 64 Ca 0.01 0.34 0.14 0.00 -0.01 0.00 0.00 64.34 64.82 2enk n VAL 64 Cb 0.54 -1.23 0.86 0.00 -0.91 0.00 0.00 33.84 33.11 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 -1.65 -3.46 115.95 118.42 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 0.02 0.00 0.41 -3.56 0.00 0.00 178.44 175.31 2enk n GLY 66 N -1.28 3.12 3.29 1.49 0.00 -0.43 -4.93 105.19 106.45 2enk n GLY 66 Ca -0.03 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.10 0.38 1.61 1.04 -1.23 -4.66 113.70 110.74 2enk s SER 67 Ca 0.00 -0.48 0.28 0.00 0.48 0.00 0.00 55.95 56.23 2enk s SER 67 Cb 0.00 0.43 1.15 0.00 0.10 0.00 0.00 66.02 67.71 2enk s SER 67 CO 0.00 -0.82 1.82 1.55 0.98 0.00 0.00 173.24 176.77 2enk h PRO 68 N 2.50 0.00 -0.07 4.02 0.13 -1.91 -2.90 132.00 133.77 2enk h PRO 68 Ca -0.34 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.60 2enk h PRO 68 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2enk h PRO 68 CO 0.50 0.00 -0.78 1.49 -0.23 0.00 0.00 178.00 178.98 2enk h GLU 69 N 0.00 0.44 -0.16 0.86 4.57 -1.97 -1.26 114.58 117.04 2enk h GLU 69 Ca 0.00 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 57.78 2enk h GLU 69 Cb 0.41 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2enk h GLU 69 CO 0.00 1.02 -0.01 0.00 -1.18 0.00 0.00 179.01 178.84 2enk h ALA 70 N 0.87 1.68 0.15 2.92 0.00 -1.87 -2.43 119.26 120.57 2enk h ALA 70 Ca -0.04 -0.12 -0.35 0.00 0.00 0.00 0.00 54.91 54.40 2enk h ALA 70 Cb 1.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2enk h ALA 70 CO 0.14 0.24 -1.81 1.25 0.00 0.00 0.00 179.25 179.07 2enk h LEU 71 N 0.23 0.48 -2.03 0.00 5.85 -1.65 -3.34 115.31 114.85 2enk h LEU 71 Ca 0.06 -0.84 0.09 0.00 0.84 0.00 0.00 57.88 58.03 2enk h LEU 71 Cb 0.19 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2enk h LEU 71 CO 0.00 1.72 0.24 0.00 -0.34 0.00 0.00 178.44 180.07 2enk h ALA 72 N 0.20 2.24 -0.83 1.25 0.00 -1.01 -1.11 119.26 120.01 2enk h ALA 72 Ca -0.36 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.60 2enk h ALA 72 Cb 2.06 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.82 2enk h ALA 72 CO 0.14 -0.40 0.51 0.00 0.00 0.00 0.00 179.25 179.50 2enk h ARG 73 N 0.00 0.92 0.18 0.00 2.47 -1.56 -0.47 114.38 115.92 2enk h ARG 73 Ca 0.15 -0.06 -0.32 0.00 -1.26 0.00 0.00 59.98 58.49 2enk h ARG 73 Cb 0.63 -0.21 0.01 0.00 -1.65 0.00 0.00 29.97 28.75 2enk h ARG 73 CO -0.00 0.61 -1.52 0.93 0.56 0.00 0.00 179.97 180.54 2enk h GLU 74 N 0.94 0.37 -0.92 0.04 4.39 -1.44 -3.33 114.58 114.64 2enk h GLU 74 Ca 0.36 -0.64 0.07 0.00 0.34 0.00 0.00 59.36 59.49 2enk h GLU 74 Cb 0.15 0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 2enk h GLU 74 CO -0.17 1.28 0.60 0.87 -1.16 0.00 0.00 179.01 180.43 2enk h LYS 75 N 0.10 1.01 -0.79 2.33 1.57 -0.98 -1.78 116.57 118.04 2enk h LYS 75 Ca -0.25 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.52 2enk h LYS 75 Cb 2.08 -0.23 -0.06 0.00 0.08 0.00 0.00 32.23 34.10 2enk h LYS 75 CO 0.21 0.67 0.48 -0.22 -0.57 0.00 0.00 179.45 180.02 2enk h LYS 76 N 1.04 0.87 0.80 3.15 1.63 -1.19 0.82 116.57 123.69 2enk h LYS 76 Ca 0.39 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 60.11 2enk h LYS 76 Cb 0.20 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2enk h LYS 76 CO -0.15 0.57 -0.47 -0.07 -3.45 0.00 0.00 179.45 175.88 2enk h LEU 77 N 0.89 -1.19 -2.17 5.20 -0.00 -1.45 0.72 115.31 117.31 2enk h LEU 77 Ca 0.34 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 58.31 2enk h LEU 77 Cb 0.14 0.34 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 2enk h LEU 77 CO -0.16 -0.74 0.06 0.08 -0.00 0.00 0.00 178.44 177.68 2enk h ARG 78 N -1.19 0.00 0.29 1.13 0.11 -1.36 -1.55 114.38 111.81 2enk h ARG 78 Ca -0.11 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.96 2enk h ARG 78 Cb 0.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2enk h ARG 78 CO 0.12 0.00 -0.14 -0.22 0.10 0.00 0.00 179.97 179.83 2enk h LYS 79 N 0.00 -0.37 -0.77 0.08 3.64 -0.32 -3.08 116.57 115.75 2enk h LYS 79 Ca 0.04 0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.65 2enk h LYS 79 Cb 0.16 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2enk h LYS 79 CO -0.00 -0.25 0.54 0.93 -2.27 0.00 0.00 179.45 178.40 2enk h GLU 80 N -0.65 0.12 0.17 1.90 4.39 -0.74 -1.54 114.58 118.23 2enk h GLU 80 Ca -0.04 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.66 2enk h GLU 80 Cb 0.30 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2enk h GLU 80 CO 0.06 0.08 -0.22 0.00 -1.16 0.00 0.00 179.01 177.77 2enk h ALA 81 N 1.63 -0.41 -0.95 3.43 0.00 -1.30 -1.63 119.26 120.02 2enk h ALA 81 Ca 0.38 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.26 2enk h ALA 81 Cb 1.31 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 2enk h ALA 81 CO -0.05 -0.77 0.63 0.93 0.00 0.00 0.00 179.25 179.99 2enk h GLU 82 N -0.44 1.21 -0.73 0.00 5.08 -1.19 -2.25 114.58 116.25 2enk h GLU 82 Ca 0.01 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2enk h GLU 82 Cb 0.43 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2enk h GLU 82 CO -0.08 0.80 0.45 0.82 -1.00 0.00 0.00 179.01 180.00 2enk h ILE 83 N 1.25 1.07 0.00 3.13 2.04 -1.17 0.02 117.51 123.84 2enk h ILE 83 Ca 0.36 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.89 2enk h ILE 83 Cb -0.07 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 2enk h ILE 83 CO -0.10 0.16 -0.18 -0.33 0.00 0.00 0.00 178.15 177.70 2enk h GLU 84 N 0.86 0.00 0.14 2.37 5.08 -0.72 0.26 114.58 122.57 2enk h GLU 84 Ca 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2enk h GLU 84 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2enk h GLU 84 CO -0.13 0.18 -0.07 -0.92 -1.00 0.00 0.00 179.01 177.08 2enk h TYR 85 N 0.00 -0.17 -0.05 4.33 3.20 -0.92 -3.24 116.97 120.12 2enk h TYR 85 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2enk h TYR 85 Cb 0.35 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 2enk h TYR 85 CO 0.00 -0.08 0.05 0.07 -1.64 0.00 0.00 178.16 176.56 2enk h ARG 86 N -1.04 0.00 0.07 1.82 -0.00 -1.04 -2.26 114.38 111.93 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 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.14 2enk h ARG 86 CO 0.03 0.00 -0.03 0.93 -0.00 0.00 0.00 179.97 180.90 2enk h GLU 87 N 0.00 -0.09 -0.13 0.08 4.39 -1.03 -2.90 114.58 114.90 2enk h GLU 87 Ca 0.02 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.77 2enk h GLU 87 Cb 0.11 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2enk h GLU 87 CO -0.00 -0.06 0.15 0.07 -1.16 0.00 0.00 179.01 178.01 2enk h ARG 88 N -0.10 0.00 -1.00 2.33 0.11 -1.56 -1.74 114.38 112.42 2enk h ARG 88 Ca -0.01 0.00 0.18 0.00 0.10 0.00 0.00 59.98 60.25 2enk h ARG 88 Cb 0.07 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.05 2enk h ARG 88 CO 0.02 0.00 0.62 -0.07 0.10 0.00 0.00 179.97 180.63 2enk h LEU 89 N 0.00 0.81 -1.59 0.08 4.07 -1.20 0.16 115.31 117.64 2enk h LEU 89 Ca 0.06 0.09 0.18 0.00 0.08 0.00 0.00 57.88 58.29 2enk h LEU 89 Cb 0.37 -0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 2enk h LEU 89 CO -0.00 0.31 0.55 -0.26 -1.08 0.00 0.00 178.44 177.96 2enk h PHE 90 N 0.80 0.46 0.03 1.13 -1.00 -1.28 0.14 116.94 117.21 2enk h PHE 90 Ca 0.56 0.01 -0.21 0.00 2.81 0.00 0.00 57.97 61.14 2enk h PHE 90 Cb 0.83 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.24 2enk h PHE 90 CO -0.00 0.15 -0.98 -0.09 -1.61 0.00 0.00 178.31 175.78 2enk h ARG 91 N 0.37 0.16 -0.06 1.51 2.43 -0.87 -3.22 114.38 114.70 2enk h ARG 91 Ca 0.41 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 2enk h ARG 91 Cb 1.05 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2enk h ARG 91 CO -0.13 1.01 -0.40 -0.91 -1.51 0.00 0.00 179.97 178.03 2enk h ASN 92 N 0.07 0.14 -0.84 -3.80 2.35 -0.44 -3.43 115.58 109.64 2enk h ASN 92 Ca -0.05 -0.05 -0.58 0.00 -0.55 0.00 0.00 56.30 55.06 2enk h ASN 92 Cb 1.66 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.93 2enk h ASN 92 CO 0.15 0.53 -0.37 -1.10 -1.65 0.00 0.00 177.43 174.98 2enk s GLN 93 N -4.15 2.27 -1.19 0.81 -0.21 -0.50 -4.61 119.66 112.09 2enk s GLN 93 Ca -0.04 -1.98 0.00 0.00 0.02 0.00 0.00 55.36 53.37 2enk s GLN 93 Cb 0.14 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 32.10 2enk s GLN 93 CO 0.75 -0.45 0.00 1.17 -2.12 0.00 0.00 175.29 174.64 2enk n LYS 94 N -1.59 -1.37 -0.02 2.91 3.00 -1.26 -4.76 118.16 115.06 2enk n LYS 94 Ca -0.03 0.86 -0.02 0.00 -0.00 0.00 0.00 58.31 59.12 2enk n LYS 94 Cb 0.64 -5.11 -0.03 0.00 0.00 0.00 0.00 35.03 30.54 2enk n LYS 94 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2enk n ILE 95 N -2.38 0.26 -1.37 3.15 3.06 -1.26 -5.11 119.36 115.72 2enk n ILE 95 Ca -0.11 -0.15 0.18 0.00 -2.50 0.00 0.00 62.75 60.17 2enk n ILE 95 Cb 0.52 -0.87 -0.05 0.00 0.54 0.00 0.00 39.64 39.78 2enk n ILE 95 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2enk n LEU 96 N -2.21 -0.69 -4.76 9.51 4.77 -1.26 -4.96 117.00 117.39 2enk n LEU 96 Ca -0.07 1.52 -0.32 0.00 -0.03 0.00 0.00 56.01 57.11 2enk n LEU 96 Cb 0.62 -4.20 -0.07 0.00 -2.33 0.00 0.00 43.42 37.43 2enk n LEU 96 CO 0.08 -3.60 -0.23 -0.13 -1.33 0.00 0.00 177.39 172.17 2enk s ARG 97 N -2.29 2.18 0.48 3.23 0.52 -1.26 -5.12 118.95 116.69 2enk s ARG 97 Ca 0.00 -2.34 0.08 0.00 -0.52 0.00 0.00 55.73 52.95 2enk s ARG 97 Cb 0.00 -1.59 0.02 0.00 0.52 0.00 0.00 34.95 33.89 2enk s ARG 97 CO 0.00 -0.35 0.48 -1.21 0.02 0.00 0.00 175.30 174.24 2enk s GLU 98 N -3.90 2.46 1.03 3.54 2.02 -1.26 -5.12 118.70 117.47 2enk s GLU 98 Ca 0.11 -1.64 -0.13 0.00 0.02 0.00 0.00 54.97 53.33 2enk s GLU 98 Cb 0.02 -2.40 0.20 0.00 0.10 0.00 0.00 34.13 32.05 2enk s GLU 98 CO 0.06 -0.42 1.10 1.52 0.02 0.00 0.00 175.26 177.54 2enk s TYR 99 N -2.57 1.91 0.10 1.61 -0.85 -1.26 -5.06 117.35 111.23 2enk s TYR 99 Ca 0.48 0.88 0.05 0.00 -0.52 0.00 0.00 57.07 57.95 2enk s TYR 99 Cb -0.04 -3.32 -0.04 0.00 0.38 0.00 0.00 41.96 38.94 2enk s TYR 99 CO 0.29 -3.02 0.03 1.03 -1.52 0.00 0.00 175.55 172.36 2enk s ARG 100 N -5.07 2.66 0.00 -3.49 1.81 -1.26 -5.35 118.95 108.24 2enk s ARG 100 Ca 0.66 -0.82 0.00 0.00 -1.72 0.00 0.00 55.73 53.85 2enk s ARG 100 Cb -0.17 -2.59 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 2enk s ARG 100 CO 0.57 0.54 0.00 -0.25 -0.68 0.00 0.00 175.30 175.48