#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 -7.60 -1.38 1.61 2.88 -1.26 -5.01 113.62 102.87 2enk n SER 2 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 2enk n SER 2 Cb 0.00 -5.06 -0.01 0.00 -0.75 0.00 0.00 64.21 58.39 2enk n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2enk n SER 3 N 0.37 0.30 -4.37 -3.46 7.64 -1.26 -5.04 113.62 107.81 2enk n SER 3 Ca 0.03 -2.00 -0.46 0.00 1.01 0.00 0.00 58.87 57.45 2enk n SER 3 Cb 0.12 -0.09 -0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2enk n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2enk s GLY 4 N -1.69 2.44 -0.28 0.23 0.00 -1.26 -4.79 107.32 101.97 2enk s GLY 4 Ca 0.22 -3.17 0.18 0.00 0.00 0.00 0.00 44.72 41.95 2enk s GLY 4 CO -0.11 1.52 1.12 -1.26 0.00 0.00 0.00 173.10 174.37 2enk n SER 5 N 4.79 2.51 -4.26 1.64 2.88 -1.26 -5.06 113.62 114.86 2enk n SER 5 Ca 0.18 -2.57 -0.32 0.00 -1.33 0.00 0.00 58.87 54.83 2enk n SER 5 Cb 0.47 -0.45 -0.17 0.00 -0.75 0.00 0.00 64.21 63.32 2enk n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2enk s SER 6 N -3.69 3.14 -0.14 -3.46 0.01 -1.26 -5.12 113.70 103.19 2enk s SER 6 Ca 0.34 -0.52 -0.01 0.00 1.31 0.00 0.00 55.95 57.07 2enk s SER 6 Cb 0.36 -1.11 0.03 0.00 0.21 0.00 0.00 66.02 65.51 2enk s SER 6 CO -0.02 0.21 -0.05 -0.83 0.41 0.00 0.00 173.24 172.96 2enk s GLY 7 N 0.05 0.84 -0.58 3.44 0.00 -1.26 -5.05 107.32 104.76 2enk s GLY 7 Ca -0.10 -0.63 0.06 0.00 0.00 0.00 0.00 44.72 44.06 2enk s GLY 7 CO 0.06 0.94 0.65 1.17 0.00 0.00 0.00 173.10 175.91 2enk n LYS 8 N 4.94 1.92 -3.77 2.90 4.81 -1.26 -5.04 118.16 122.67 2enk n LYS 8 Ca -0.11 -4.24 -0.26 0.00 -0.87 0.00 0.00 58.31 52.82 2enk n LYS 8 Cb 0.49 -1.99 -0.17 0.00 0.02 0.00 0.00 35.03 33.38 2enk n LYS 8 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2enk s TYR 9 N -1.95 0.99 -1.21 5.64 1.51 -1.26 -5.06 117.35 116.01 2enk s TYR 9 Ca 0.37 -0.65 -0.10 0.00 -1.01 0.00 0.00 57.07 55.67 2enk s TYR 9 Cb 0.13 -0.99 0.20 0.00 -0.11 0.00 0.00 41.96 41.19 2enk s TYR 9 CO -0.06 -0.52 1.57 2.41 -1.11 0.00 0.00 175.55 177.84 2enk n THR 10 N 5.06 4.48 -3.07 -0.71 -1.04 -1.26 -4.66 114.28 113.08 2enk n THR 10 Ca -0.09 -4.85 -0.05 0.00 -2.04 0.00 0.00 64.05 57.02 2enk n THR 10 Cb 0.48 -2.39 0.00 0.00 -1.82 0.00 0.00 70.33 66.61 2enk n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2enk n GLN 11 N 4.01 -1.62 -3.82 -2.82 6.02 -1.26 -5.00 117.38 112.90 2enk n GLN 11 Ca 0.35 1.61 -0.30 0.00 -0.01 0.00 0.00 57.00 58.65 2enk n GLN 11 Cb 0.38 -5.43 -0.13 0.00 1.02 0.00 0.00 30.24 26.08 2enk n GLN 11 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2enk s ASN 12 N -2.86 3.94 -0.36 1.08 -0.87 -1.26 -4.93 114.94 109.68 2enk s ASN 12 Ca 0.07 -2.79 0.07 0.00 -1.57 0.00 0.00 52.86 48.64 2enk s ASN 12 Cb -0.02 -1.30 0.58 0.00 -0.02 0.00 0.00 41.25 40.49 2enk s ASN 12 CO 0.77 -0.25 1.66 0.59 -2.57 0.00 0.00 177.10 177.30 2enk n ASN 13 N 3.36 3.06 -4.15 -1.22 4.13 -1.26 -4.96 115.26 114.22 2enk n ASN 13 Ca 0.07 -3.70 -0.18 0.00 1.68 0.00 0.00 54.58 52.45 2enk n ASN 13 Cb 0.33 -0.72 -0.12 0.00 -1.54 0.00 0.00 39.78 37.73 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 -3.26 1.15 -0.04 3.10 0.40 -1.26 -4.47 117.98 113.60 2enk s PHE 14 Ca 0.50 -0.42 0.06 0.00 -0.60 0.00 0.00 56.93 56.48 2enk s PHE 14 Cb 0.44 -0.66 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 2enk s PHE 14 CO 0.05 0.03 -0.24 -1.50 0.70 0.00 0.00 175.22 174.26 2enk s ILE 15 N -1.10 1.91 0.84 0.64 2.07 -0.87 -4.95 121.20 119.74 2enk s ILE 15 Ca -0.01 -1.01 -0.12 0.00 -1.41 0.00 0.00 60.65 58.10 2enk s ILE 15 Cb -0.09 -1.61 0.11 0.00 0.13 0.00 0.00 42.46 41.00 2enk s ILE 15 CO 0.02 0.54 1.18 -0.89 -1.91 0.00 0.00 174.94 173.88 2enk s THR 16 N -0.31 2.07 0.00 4.00 2.01 -1.26 -2.48 115.64 119.67 2enk s THR 16 Ca 0.02 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.02 2enk s THR 16 Cb -0.12 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 2enk s THR 16 CO 0.02 -0.02 0.99 1.23 -0.69 0.00 0.00 174.62 176.14 2enk h GLY 17 N -1.26 -0.11 0.22 4.40 0.00 -1.94 -2.53 103.07 101.86 2enk h GLY 17 Ca -0.45 0.04 0.19 0.00 0.00 0.00 0.00 47.33 47.11 2enk h GLY 17 CO 0.44 -0.04 0.61 -2.08 0.00 0.00 0.00 176.54 175.48 2enk h VAL 18 N -0.11 0.71 -0.52 4.60 2.07 -1.94 0.22 116.25 121.27 2enk h VAL 18 Ca -0.01 -0.21 0.09 0.00 0.82 0.00 0.00 66.70 67.38 2enk h VAL 18 Cb 0.08 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 2enk h VAL 18 CO 0.02 0.11 0.35 0.03 0.02 0.00 0.00 177.57 178.10 2enk h ARG 19 N 0.62 0.33 0.15 1.57 3.08 -1.92 -0.06 114.38 118.15 2enk h ARG 19 Ca 0.53 -0.02 -0.20 0.00 0.07 0.00 0.00 59.98 60.36 2enk h ARG 19 Cb 1.00 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.00 2enk h ARG 19 CO -0.28 0.22 -0.89 0.00 -1.07 0.00 0.00 179.97 177.95 2enk h ALA 20 N 1.73 -0.09 0.00 0.04 0.00 -0.13 -1.17 119.26 119.64 2enk h ALA 20 Ca 0.24 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2enk h ALA 20 Cb 0.49 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2enk h ALA 20 CO -0.06 0.42 -0.07 0.82 0.00 0.00 0.00 179.25 180.36 2enk h ILE 21 N -0.34 0.58 0.03 0.00 2.04 -0.80 0.18 117.51 119.20 2enk h ILE 21 Ca -0.16 -0.28 -0.28 0.00 1.00 0.00 0.00 64.86 65.14 2enk h ILE 21 Cb 1.68 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 2enk h ILE 21 CO 0.16 0.06 -1.52 0.59 0.00 0.00 0.00 178.15 177.44 2enk n ASN 22 N -3.78 1.93 0.35 1.72 3.02 -0.09 -1.90 115.26 116.51 2enk n ASN 22 Ca -0.02 0.36 -0.15 0.00 -0.03 0.00 0.00 54.58 54.73 2enk n ASN 22 Cb 0.16 -0.93 -0.08 0.00 -0.61 0.00 0.00 39.78 38.33 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 -0.74 -0.88 0.00 3.52 4.39 -1.07 -3.08 114.58 116.73 2enk h GLU 23 Ca -0.39 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.37 2enk h GLU 23 Cb 1.50 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.35 2enk h GLU 23 CO -0.15 -0.56 0.00 0.74 -1.16 0.00 0.00 179.01 177.88 2enk h PHE 24 N -1.17 0.00 -5.46 4.33 -1.00 -0.86 -3.48 116.94 109.31 2enk h PHE 24 Ca -0.09 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.61 2enk h PHE 24 Cb 0.73 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.32 2enk h PHE 24 CO 0.00 0.00 -0.22 0.00 -1.61 0.00 0.00 178.31 176.49 2enk n LEU 26 N -2.11 0.00 -4.97 0.00 4.77 -0.80 -5.01 117.00 108.89 2enk n LEU 26 Ca -0.03 -0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 2enk n LEU 26 Cb 0.53 0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.68 2enk n LEU 26 CO 0.55 -0.07 0.35 -0.54 -1.33 0.00 0.00 177.39 176.35 2enk s LYS 27 N -2.15 2.65 0.11 3.23 1.02 -1.26 -4.88 119.74 118.47 2enk s LYS 27 Ca 0.00 -0.70 -0.08 0.00 0.02 0.00 0.00 55.97 55.21 2enk s LYS 27 Cb -0.00 -2.50 -0.14 0.00 -0.52 0.00 0.00 37.83 34.68 2enk s LYS 27 CO 0.00 -0.63 1.27 0.66 -0.92 0.00 0.00 175.35 175.74 2enk h SER 28 N 0.13 0.69 0.68 2.83 4.64 -2.01 -3.23 113.55 117.28 2enk h SER 28 Ca -0.43 -0.54 -0.16 0.00 -0.47 0.00 0.00 61.79 60.19 2enk h SER 28 Cb 1.29 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2enk h SER 28 CO 0.53 1.34 -0.73 0.28 -0.87 0.00 0.00 176.83 177.38 2enk h SER 29 N 0.31 0.05 0.15 4.97 0.02 -2.00 -3.27 113.55 113.78 2enk h SER 29 Ca -0.09 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2enk h SER 29 Cb 1.59 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 64.08 2enk h SER 29 CO 0.18 0.76 -0.34 0.44 -1.14 0.00 0.00 176.83 176.73 2enk h ASP 30 N 0.02 -0.97 -1.01 3.07 3.32 -1.96 -1.80 116.42 117.10 2enk h ASP 30 Ca -0.01 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.28 2enk h ASP 30 Cb 1.29 0.36 -0.09 0.00 0.22 0.00 0.00 39.33 41.11 2enk h ASP 30 CO 0.10 -0.43 0.63 -0.07 -1.72 0.00 0.00 179.24 177.75 2enk h LEU 31 N -0.58 0.91 -1.82 1.55 -0.00 -1.63 0.11 115.31 113.85 2enk h LEU 31 Ca 0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 2enk h LEU 31 Cb 0.60 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2enk h LEU 31 CO -0.18 0.46 -0.01 -0.33 -0.00 0.00 0.00 178.44 178.38 2enk h GLU 32 N 0.97 0.09 0.00 1.13 5.08 -1.41 -1.11 114.58 119.33 2enk h GLU 32 Ca 0.51 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.82 2enk h GLU 32 Cb 0.55 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2enk h GLU 32 CO -0.28 0.12 -0.21 0.37 -1.00 0.00 0.00 179.01 178.00 2enk h GLN 33 N 0.09 0.00 -7.64 2.33 5.75 0.01 -3.44 115.11 112.22 2enk h GLN 33 Ca 0.02 0.00 -0.43 0.00 -0.15 0.00 0.00 58.65 58.09 2enk h GLN 33 Cb 0.09 0.00 0.17 0.00 1.07 0.00 0.00 27.48 28.81 2enk h GLN 33 CO 0.00 0.21 0.30 -0.51 -2.65 0.00 0.00 178.83 176.18 2enk s LEU 34 N -7.77 1.85 0.59 -2.39 1.43 -0.42 -5.02 118.68 106.96 2enk s LEU 34 Ca -0.03 0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 53.34 2enk s LEU 34 Cb 0.14 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2enk s LEU 34 CO 0.65 -3.31 1.12 -0.60 0.23 0.00 0.00 176.35 174.44 2enk s ARG 35 N -5.67 3.12 -0.77 1.70 3.52 -1.26 -4.99 118.95 114.59 2enk s ARG 35 Ca 0.72 1.50 -0.11 0.00 -0.13 0.00 0.00 55.73 57.72 2enk s ARG 35 Cb -0.07 -1.98 0.20 0.00 -1.56 0.00 0.00 34.95 31.54 2enk s ARG 35 CO 0.54 -1.02 0.68 0.15 -0.81 0.00 0.00 175.30 174.84 2enk s LYS 36 N -3.65 3.32 -0.27 5.12 -0.14 -1.26 -4.87 119.74 117.99 2enk s LYS 36 Ca 0.70 -2.46 -0.20 0.00 -1.36 0.00 0.00 55.97 52.65 2enk s LYS 36 Cb -0.22 -4.25 -0.02 0.00 -1.68 0.00 0.00 37.83 31.67 2enk s LYS 36 CO 0.33 -1.26 0.64 0.42 -0.76 0.00 0.00 175.35 174.72 2enk s ILE 37 N 0.15 4.96 0.21 2.17 1.09 -1.19 -4.95 121.20 123.64 2enk s ILE 37 Ca 0.17 1.06 0.07 0.00 -1.10 0.00 0.00 60.65 60.86 2enk s ILE 37 Cb -0.13 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.27 2enk s ILE 37 CO -0.07 -0.03 0.06 -0.13 -0.10 0.00 0.00 174.94 174.67 2enk s ARG 38 N 2.55 2.55 0.26 2.79 0.52 -1.26 -0.29 118.95 126.07 2enk s ARG 38 Ca 0.26 -1.13 0.04 0.00 -0.52 0.00 0.00 55.73 54.38 2enk s ARG 38 Cb -0.15 -2.39 -0.06 0.00 0.52 0.00 0.00 34.95 32.87 2enk s ARG 38 CO 0.09 0.43 -0.00 1.03 0.02 0.00 0.00 175.30 176.87 2enk s ARG 39 N -3.30 1.45 -0.27 3.54 0.52 -1.26 -4.74 118.95 114.89 2enk s ARG 39 Ca 0.30 -1.75 -0.04 0.00 -0.52 0.00 0.00 55.73 53.72 2enk s ARG 39 Cb -0.08 -0.77 0.01 0.00 0.52 0.00 0.00 34.95 34.62 2enk s ARG 39 CO 0.21 -0.09 0.11 0.54 0.02 0.00 0.00 175.30 176.09 2enk n ARG 40 N -0.51 -2.65 -3.26 3.54 1.74 -1.26 -4.30 116.66 109.97 2enk n ARG 40 Ca -0.04 2.25 -0.07 0.00 -0.77 0.00 0.00 57.85 59.21 2enk n ARG 40 Cb 0.64 -4.39 0.01 0.00 -1.02 0.00 0.00 32.46 27.69 2enk n ARG 40 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2enk n SER 41 N 0.66 -7.00 -4.60 0.55 2.88 -1.26 -4.86 113.62 99.99 2enk n SER 41 Ca 0.01 -0.34 -0.43 0.00 -1.33 0.00 0.00 58.87 56.78 2enk n SER 41 Cb 0.19 -4.44 -0.03 0.00 -0.75 0.00 0.00 64.21 59.19 2enk n SER 41 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2enk s PRO 42 N -3.62 3.42 -0.14 -1.46 0.04 -1.26 -4.34 135.00 127.64 2enk s PRO 42 Ca 0.04 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.31 2enk s PRO 42 Cb -0.01 -4.15 0.04 0.00 0.04 0.00 0.00 34.50 30.42 2enk s PRO 42 CO 0.79 -1.76 0.20 1.58 0.04 0.00 0.00 177.00 177.85 2enk n HIS 43 N 9.83 -3.90 0.00 0.56 -0.00 -1.26 -5.04 115.22 115.41 2enk n HIS 43 Ca 0.21 2.28 0.00 0.00 0.46 0.00 0.00 57.72 60.67 2enk n HIS 43 Cb 0.47 -3.59 0.00 0.00 -0.12 0.00 0.00 29.99 26.75 2enk n HIS 43 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2enk n GLU 44 N 1.47 0.00 -1.09 1.57 1.02 -1.26 -5.03 120.64 117.32 2enk n GLU 44 Ca -0.33 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.77 2enk n GLU 44 Cb 0.51 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.91 2enk n GLU 44 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2enk n ASP 45 N -2.07 -0.74 -3.17 1.62 5.75 -1.26 -5.10 116.55 111.58 2enk n ASP 45 Ca 0.00 -1.44 0.03 0.00 -0.01 0.00 0.00 54.79 53.36 2enk n ASP 45 Cb 0.00 0.25 -0.02 0.00 -1.03 0.00 0.00 41.12 40.32 2enk n ASP 45 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2enk s THR 46 N 0.02 -0.96 0.18 2.12 -4.23 -1.26 -5.14 115.64 106.37 2enk s THR 46 Ca 0.01 -0.01 -0.33 0.00 -1.18 0.00 0.00 61.69 60.18 2enk s THR 46 Cb 0.05 -0.98 -0.14 0.00 1.34 0.00 0.00 72.50 72.77 2enk s THR 46 CO -0.02 -0.01 1.56 -1.84 -0.54 0.00 0.00 174.62 173.77 2enk n GLU 47 N 5.42 2.21 -3.69 3.99 0.28 -1.26 -4.83 120.64 122.75 2enk n GLU 47 Ca -0.00 0.79 -0.18 0.00 -0.16 0.00 0.00 57.16 57.61 2enk n GLU 47 Cb 0.51 -2.55 -0.05 0.00 1.43 0.00 0.00 31.44 30.78 2enk n GLU 47 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2enk n SER 48 N 3.20 0.99 -4.95 -1.84 7.64 -1.26 -5.16 113.62 112.24 2enk n SER 48 Ca 0.16 -2.54 -0.23 0.00 1.01 0.00 0.00 58.87 57.26 2enk n SER 48 Cb 0.30 0.77 0.01 0.00 -1.01 0.00 0.00 64.21 64.29 2enk n SER 48 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2enk s PHE 49 N -2.66 3.26 0.13 1.43 5.36 -1.26 -5.10 117.98 119.13 2enk s PHE 49 Ca 0.16 0.30 0.08 0.00 -0.96 0.00 0.00 56.93 56.51 2enk s PHE 49 Cb 0.01 -2.32 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 2enk s PHE 49 CO 0.11 -0.36 -0.13 0.99 -1.46 0.00 0.00 175.22 174.37 2enk s THR 50 N -2.58 3.10 0.41 0.12 2.01 -1.26 -4.37 115.64 113.06 2enk s THR 50 Ca 0.48 -1.49 0.04 0.00 0.31 0.00 0.00 61.69 61.03 2enk s THR 50 Cb -0.10 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 2enk s THR 50 CO 0.39 0.04 0.13 0.68 -0.69 0.00 0.00 174.62 175.17 2enk s VAL 51 N -1.34 0.58 0.25 3.82 -7.23 0.61 -4.38 120.40 112.70 2enk s VAL 51 Ca 0.21 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 2enk s VAL 51 Cb -0.10 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.45 2enk s VAL 51 CO 0.13 0.00 0.15 -0.31 -0.31 0.00 0.00 175.10 174.75 2enk s TYR 52 N -3.21 1.38 -0.17 2.82 2.02 -1.04 -3.16 117.35 116.00 2enk s TYR 52 Ca 0.24 -1.37 -0.08 0.00 -0.37 0.00 0.00 57.07 55.48 2enk s TYR 52 Cb 0.02 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.84 2enk s TYR 52 CO 0.15 -0.58 0.12 -0.51 -1.57 0.00 0.00 175.55 173.15 2enk s LEU 53 N -3.25 4.19 0.58 -1.29 2.01 -1.26 -2.06 118.68 117.60 2enk s LEU 53 Ca 0.38 0.29 0.27 0.00 0.01 0.00 0.00 54.13 55.08 2enk s LEU 53 Cb 0.06 -2.06 1.65 0.00 0.01 0.00 0.00 46.19 45.85 2enk s LEU 53 CO 0.15 0.27 2.16 -0.09 1.01 0.00 0.00 176.35 179.85 2enk h ARG 54 N 6.04 0.00 0.01 1.70 2.43 -1.92 0.92 114.38 123.56 2enk h ARG 54 Ca -0.46 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.49 2enk h ARG 54 Cb 1.18 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.70 2enk h ARG 54 CO 0.68 0.00 -1.05 0.77 -1.51 0.00 0.00 179.97 178.86 2enk h SER 55 N 0.00 0.04 0.07 -3.80 0.02 -1.93 -3.09 113.55 104.87 2enk h SER 55 Ca 0.05 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2enk h SER 55 Cb 0.27 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.81 2enk h SER 55 CO -0.00 1.04 -0.46 0.44 -1.14 0.00 0.00 176.83 176.70 2enk h ASP 56 N 0.01 0.28 -0.07 3.07 3.32 -1.46 -3.29 116.42 118.28 2enk h ASP 56 Ca -0.03 -0.95 0.02 0.00 0.02 0.00 0.00 57.03 56.09 2enk h ASP 56 Cb 1.80 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 41.26 2enk h ASP 56 CO 0.14 1.21 0.06 0.58 -1.72 0.00 0.00 179.24 179.50 2enk h VAL 57 N -0.59 0.85 0.59 -1.35 2.07 -1.03 -2.82 116.25 113.97 2enk h VAL 57 Ca -0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 2enk h VAL 57 Cb 1.34 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2enk h VAL 57 CO 0.09 0.00 -0.46 -0.08 0.02 0.00 0.00 177.57 177.14 2enk h GLU 58 N 0.00 -0.98 -0.94 1.57 4.81 -1.61 -2.37 114.58 115.06 2enk h GLU 58 Ca 0.03 0.07 0.15 0.00 -0.13 0.00 0.00 59.36 59.48 2enk h GLU 58 Cb 0.15 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 29.67 2enk h GLU 58 CO -0.00 -0.66 0.60 0.00 -0.73 0.00 0.00 179.01 178.22 2enk h ALA 59 N -0.83 1.77 -0.02 2.92 0.00 -1.62 0.22 119.26 121.70 2enk h ALA 59 Ca -0.07 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2enk h ALA 59 Cb 0.86 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2enk h ALA 59 CO 0.01 -0.04 0.02 -0.22 0.00 0.00 0.00 179.25 179.02 2enk h LYS 60 N 0.75 0.00 0.00 0.00 1.63 -1.34 0.14 116.57 117.75 2enk h LYS 60 Ca 0.48 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 60.13 2enk h LYS 60 Cb 0.74 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.34 2enk h LYS 60 CO -0.25 0.00 -0.93 0.66 -3.45 0.00 0.00 179.45 175.48 2enk h SER 61 N 0.00 0.00 0.69 4.20 4.64 -0.14 -3.10 113.55 119.84 2enk h SER 61 Ca 0.01 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.07 2enk h SER 61 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2enk h SER 61 CO -0.00 0.64 -1.23 -0.07 -0.87 0.00 0.00 176.83 175.30 2enk h LEU 62 N 0.00 0.32 -0.70 5.97 3.38 -0.68 -2.06 115.31 121.54 2enk h LEU 62 Ca -0.07 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 2enk h LEU 62 Cb 1.55 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 2enk h LEU 62 CO 0.07 1.28 -0.37 1.05 0.09 0.00 0.00 178.44 180.56 2enk h GLU 63 N 0.06 0.00 0.00 1.13 -0.00 -1.14 -0.86 114.58 113.77 2enk h GLU 63 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.24 2enk h GLU 63 Cb 1.93 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.68 2enk h GLU 63 CO 0.18 0.37 0.00 0.28 -0.00 0.00 0.00 179.01 179.84 2enk n VAL 64 N -3.40 0.00 0.29 -1.06 0.31 -1.17 -4.43 118.33 108.86 2enk n VAL 64 Ca 0.01 0.35 0.14 0.00 -0.01 0.00 0.00 64.34 64.82 2enk n VAL 64 Cb 0.56 -1.20 0.85 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 -1.55 -3.46 115.95 118.52 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 -1.24 3.10 3.36 1.49 0.00 -0.33 -4.93 105.19 106.64 2enk n GLY 66 Ca -0.03 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.32 0.41 1.61 0.01 -1.22 -4.68 113.70 109.52 2enk s SER 67 Ca 0.00 -0.26 0.29 0.00 1.31 0.00 0.00 55.95 57.29 2enk s SER 67 Cb 0.00 0.52 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 0.00 12.44 0.13 -1.90 -2.78 132.00 142.15 2enk h PRO 68 Ca -0.33 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.65 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 -0.70 0.93 -0.23 0.00 0.00 178.00 178.44 2enk h GLU 69 N 0.00 0.00 -0.26 0.86 5.08 -1.98 -2.13 114.58 116.15 2enk h GLU 69 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2enk h GLU 69 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2enk h GLU 69 CO 0.00 0.70 -0.20 0.00 -1.00 0.00 0.00 179.01 178.51 2enk h ALA 70 N 1.30 0.38 -0.26 3.43 0.00 -1.85 -3.09 119.26 119.18 2enk h ALA 70 Ca -0.01 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2enk h ALA 70 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2enk h ALA 70 CO 0.09 0.32 -0.60 1.25 0.00 0.00 0.00 179.25 180.31 2enk h LEU 71 N 0.32 0.96 -2.00 0.00 5.85 -1.63 -3.04 115.31 115.76 2enk h LEU 71 Ca 0.05 -0.54 0.17 0.00 0.84 0.00 0.00 57.88 58.40 2enk h LEU 71 Cb 0.74 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2enk h LEU 71 CO 0.05 1.34 0.44 0.00 -0.34 0.00 0.00 178.44 179.93 2enk h ALA 72 N 0.67 2.54 -0.90 1.25 0.00 -1.39 -0.15 119.26 121.28 2enk h ALA 72 Ca -0.00 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.07 2enk h ALA 72 Cb 1.21 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2enk h ALA 72 CO 0.13 -0.74 0.59 0.00 0.00 0.00 0.00 179.25 179.22 2enk h ARG 73 N 0.00 0.50 0.07 0.00 2.47 -1.44 0.71 114.38 116.69 2enk h ARG 73 Ca 0.28 -0.03 -0.34 0.00 -1.26 0.00 0.00 59.98 58.63 2enk h ARG 73 Cb 1.16 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 29.33 2enk h ARG 73 CO -0.00 0.33 -1.95 0.39 0.56 0.00 0.00 179.97 179.30 2enk n GLU 74 N -4.55 0.71 -0.25 0.04 -0.58 -0.12 -4.13 120.64 111.76 2enk n GLU 74 Ca 0.19 0.25 0.03 0.00 -0.42 0.00 0.00 57.16 57.21 2enk n GLU 74 Cb 0.62 -1.72 0.26 0.00 -0.57 0.00 0.00 31.44 30.03 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 0.04 0.96 0.45 3.49 1.79 -0.82 -1.10 116.57 121.38 2enk h LYS 75 Ca -0.39 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.00 2enk h LYS 75 Cb 2.03 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 32.46 2enk h LYS 75 CO 0.07 0.64 -0.29 -0.22 -1.08 0.00 0.00 179.45 178.57 2enk h LYS 76 N 0.99 -0.68 0.22 3.15 3.64 -1.05 0.77 116.57 123.60 2enk h LYS 76 Ca 0.32 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2enk h LYS 76 Cb 0.05 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2enk h LYS 76 CO -0.10 -0.46 -0.12 -0.07 -2.27 0.00 0.00 179.45 176.44 2enk h LEU 77 N -0.71 -0.30 -2.11 5.20 -0.00 -1.65 -0.39 115.31 115.34 2enk h LEU 77 Ca -0.05 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.93 2enk h LEU 77 Cb 0.59 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 2enk h LEU 77 CO 0.04 -0.20 0.24 0.03 -0.00 0.00 0.00 178.44 178.55 2enk h ARG 78 N -0.32 0.00 0.16 1.13 3.08 -1.14 0.43 114.38 117.71 2enk h ARG 78 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2enk h ARG 78 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2enk h ARG 78 CO 0.03 0.00 -0.08 -0.22 -1.07 0.00 0.00 179.97 178.63 2enk h LYS 79 N 0.00 -0.21 -0.25 0.04 3.64 -0.03 -3.24 116.57 116.53 2enk h LYS 79 Ca 0.13 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 2enk h LYS 79 Cb 0.62 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2enk h LYS 79 CO -0.00 -0.14 0.24 0.93 -2.27 0.00 0.00 179.45 178.21 2enk h GLU 80 N -1.02 0.00 0.32 1.90 4.39 -0.81 -2.10 114.58 117.25 2enk h GLU 80 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2enk h GLU 80 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2enk h GLU 80 CO 0.04 0.00 -0.15 0.00 -1.16 0.00 0.00 179.01 177.73 2enk h ALA 81 N 1.76 -0.43 -0.27 3.43 0.00 -1.00 -1.70 119.26 121.05 2enk h ALA 81 Ca 0.12 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2enk h ALA 81 Cb 0.60 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2enk h ALA 81 CO -0.00 -0.72 0.18 0.93 0.00 0.00 0.00 179.25 179.64 2enk h GLU 82 N -0.46 0.29 -0.31 0.00 5.08 -1.40 -2.19 114.58 115.58 2enk h GLU 82 Ca -0.04 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2enk h GLU 82 Cb 0.35 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2enk h GLU 82 CO 0.07 0.19 -0.01 0.82 -1.00 0.00 0.00 179.01 179.09 2enk h ILE 83 N 0.30 1.26 -0.04 3.13 2.04 -1.30 -2.13 117.51 120.76 2enk h ILE 83 Ca 0.11 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2enk h ILE 83 Cb 0.08 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2enk h ILE 83 CO -0.02 0.31 0.03 -0.33 0.00 0.00 0.00 178.15 178.14 2enk h GLU 84 N 0.34 0.00 0.13 2.37 4.39 -0.68 0.21 114.58 121.35 2enk h GLU 84 Ca 0.09 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 2enk h GLU 84 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2enk h GLU 84 CO 0.02 0.00 -0.06 -0.92 -1.16 0.00 0.00 179.01 176.88 2enk h TYR 85 N 0.00 -0.17 -0.12 4.33 3.20 -1.26 -3.31 116.97 119.65 2enk h TYR 85 Ca 0.02 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.92 2enk h TYR 85 Cb 0.09 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2enk h TYR 85 CO 0.00 -0.10 0.12 0.07 -1.64 0.00 0.00 178.16 176.60 2enk h ARG 86 N -0.64 0.00 0.10 1.82 -0.00 -1.32 -2.94 114.38 111.40 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 0.14 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.09 2enk h ARG 86 CO 0.03 0.00 -0.24 0.93 -0.00 0.00 0.00 179.97 180.69 2enk h GLU 87 N 0.00 -0.37 -0.08 0.08 4.39 -0.66 0.17 114.58 118.12 2enk h GLU 87 Ca 0.05 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.80 2enk h GLU 87 Cb 0.29 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2enk h GLU 87 CO -0.00 -0.24 0.07 0.07 -1.16 0.00 0.00 179.01 177.75 2enk h ARG 88 N -0.38 0.00 0.00 2.33 0.11 -1.60 0.49 114.38 115.32 2enk h ARG 88 Ca -0.01 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.97 2enk h ARG 88 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 2enk h ARG 88 CO -0.11 0.00 -0.47 -0.07 0.10 0.00 0.00 179.97 179.42 2enk h LEU 89 N 0.00 0.00 0.12 0.08 3.38 -1.15 -2.19 115.31 115.56 2enk h LEU 89 Ca 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 2enk h LEU 89 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2enk h LEU 89 CO -0.00 0.47 -1.50 -0.26 0.09 0.00 0.00 178.44 177.25 2enk h PHE 90 N 0.00 0.47 -0.11 1.13 -1.00 0.14 -3.28 116.94 114.28 2enk h PHE 90 Ca -0.00 -0.34 -0.04 0.00 2.81 0.00 0.00 57.97 60.40 2enk h PHE 90 Cb 0.98 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.51 2enk h PHE 90 CO 0.00 1.59 -0.10 -0.09 -1.61 0.00 0.00 178.31 178.09 2enk h ARG 91 N -0.24 0.17 -0.17 1.51 2.43 -1.22 -2.23 114.38 114.62 2enk h ARG 91 Ca -0.32 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.70 2enk h ARG 91 Cb 1.81 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.32 2enk h ARG 91 CO 0.07 0.28 -0.41 -0.97 -1.51 0.00 0.00 179.97 177.44 2enk h ASN 92 N 0.16 0.42 -0.53 -3.80 -0.73 -1.52 -3.36 115.58 106.22 2enk h ASN 92 Ca 0.04 -0.18 -0.59 0.00 1.87 0.00 0.00 56.30 57.44 2enk h ASN 92 Cb 0.29 -0.12 -0.05 0.00 0.27 0.00 0.00 38.32 38.72 2enk h ASN 92 CO 0.02 0.79 2.05 0.00 -0.37 0.00 0.00 177.43 179.91 2enk n GLN 93 N -4.03 2.53 -3.58 6.67 6.02 -0.84 -4.79 117.38 119.37 2enk n GLN 93 Ca -0.02 -2.81 -0.01 0.00 -0.01 0.00 0.00 57.00 54.16 2enk n GLN 93 Cb 0.50 -3.47 -0.06 0.00 1.02 0.00 0.00 30.24 28.23 2enk n GLN 93 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2enk s LYS 94 N 4.76 0.30 0.56 -1.09 1.02 -1.26 -5.01 119.74 119.03 2enk s LYS 94 Ca 0.57 0.57 0.24 0.00 0.02 0.00 0.00 55.97 57.38 2enk s LYS 94 Cb 0.05 0.14 1.54 0.00 -0.52 0.00 0.00 37.83 39.05 2enk s LYS 94 CO 0.07 -0.07 2.15 0.97 -0.92 0.00 0.00 175.35 177.55 2enk h ILE 95 N 5.11 0.71 -2.74 2.17 2.10 -1.95 -3.48 117.51 119.44 2enk h ILE 95 Ca -0.25 0.00 0.25 0.00 1.08 0.00 0.00 64.86 65.94 2enk h ILE 95 Cb 1.17 0.93 -0.06 0.00 -1.09 0.00 0.00 36.82 37.77 2enk h ILE 95 CO 0.17 0.00 -0.33 0.18 -1.08 0.00 0.00 178.15 177.09 2enk n LEU 96 N -4.15 0.00 -1.35 2.19 4.32 -1.26 -4.35 117.00 112.40 2enk n LEU 96 Ca -0.00 0.99 -0.08 0.00 -0.02 0.00 0.00 56.01 56.89 2enk n LEU 96 Cb 0.20 -2.79 0.18 0.00 -1.62 0.00 0.00 43.42 39.39 2enk n LEU 96 CO 0.31 -2.33 0.73 -1.14 -1.22 0.00 0.00 177.39 173.73 2enk n ARG 97 N -3.39 2.01 -1.22 3.23 3.00 -1.26 -5.08 116.66 113.95 2enk n ARG 97 Ca 0.01 -3.26 0.13 0.00 -0.00 0.00 0.00 57.85 54.73 2enk n ARG 97 Cb 0.42 -1.89 -0.07 0.00 0.00 0.00 0.00 32.46 30.91 2enk n ARG 97 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2enk n GLU 98 N -1.09 -2.87 -2.26 -0.14 1.02 -1.26 -5.02 120.64 109.02 2enk n GLU 98 Ca 0.37 2.34 -0.02 0.00 -0.02 0.00 0.00 57.16 59.84 2enk n GLU 98 Cb 1.06 -3.29 -0.01 0.00 -0.02 0.00 0.00 31.44 29.17 2enk n GLU 98 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2enk n TYR 99 N -3.83 -4.12 -0.03 -0.32 4.02 -1.26 -5.01 117.16 106.62 2enk n TYR 99 Ca -0.07 2.43 -0.02 0.00 -0.01 0.00 0.00 57.90 60.23 2enk n TYR 99 Cb 0.56 -3.61 -0.05 0.00 -0.02 0.00 0.00 39.34 36.22 2enk n TYR 99 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 2enk n ARG 100 N 1.56 2.44 0.00 -0.72 0.00 -1.26 -5.19 116.66 113.49 2enk n ARG 100 Ca -0.12 -0.01 0.15 0.00 -0.00 0.00 0.00 57.85 57.87 2enk n ARG 100 Cb 0.18 -1.16 0.77 0.00 -0.00 0.00 0.00 32.46 32.25 2enk n ARG 100 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38