#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 2.57 -1.30 1.61 3.41 -1.26 -5.12 113.62 113.53 2enk n SER 2 Ca 0.00 -0.05 0.18 0.00 -0.26 0.00 0.00 58.87 58.74 2enk n SER 2 Cb 0.00 -0.28 -0.05 0.00 -0.26 0.00 0.00 64.21 63.62 2enk n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2enk n SER 3 N -3.06 -7.74 -2.76 4.04 7.64 -1.26 -4.95 113.62 105.52 2enk n SER 3 Ca -0.29 0.60 -0.01 0.00 1.01 0.00 0.00 58.87 60.17 2enk n SER 3 Cb 0.79 -3.98 0.02 0.00 -1.01 0.00 0.00 64.21 60.03 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 -6.71 -1.65 0.59 0.23 0.00 -1.26 -5.17 107.32 93.35 2enk s GLY 4 Ca 0.00 0.60 0.01 0.00 0.00 0.00 0.00 44.72 45.33 2enk s GLY 4 CO 0.00 4.15 0.82 -1.35 0.00 0.00 0.00 173.10 176.72 2enk s SER 5 N 1.33 5.06 0.12 1.64 1.04 -1.26 -5.13 113.70 116.51 2enk s SER 5 Ca 0.21 -0.12 0.05 0.00 0.48 0.00 0.00 55.95 56.57 2enk s SER 5 Cb 0.06 -0.64 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 2enk s SER 5 CO -0.11 -1.31 -0.11 -0.55 0.98 0.00 0.00 173.24 172.14 2enk s SER 6 N -4.50 1.74 -0.13 7.02 0.15 -1.26 -5.13 113.70 111.59 2enk s SER 6 Ca 0.59 -0.86 -0.26 0.00 0.70 0.00 0.00 55.95 56.12 2enk s SER 6 Cb -0.09 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.17 2enk s SER 6 CO 0.40 -0.24 0.84 -0.83 1.20 0.00 0.00 173.24 174.61 2enk s GLY 7 N -2.64 2.28 0.16 9.45 0.00 -1.26 -4.87 107.32 110.44 2enk s GLY 7 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.94 2enk s GLY 7 CO 0.01 1.61 0.00 1.17 0.00 0.00 0.00 173.10 175.90 2enk n LYS 8 N 4.86 0.00 -3.52 2.90 3.00 -1.26 -5.08 118.16 119.06 2enk n LYS 8 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.19 2enk n LYS 8 Cb 0.49 -0.16 -0.12 0.00 0.00 0.00 0.00 35.03 35.24 2enk n LYS 8 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2enk s TYR 9 N -2.00 -0.38 0.27 5.64 1.51 -1.26 -5.03 117.35 116.10 2enk s TYR 9 Ca 0.00 0.49 -0.00 0.00 -1.01 0.00 0.00 57.07 56.55 2enk s TYR 9 Cb 0.00 -0.23 0.56 0.00 -0.11 0.00 0.00 41.96 42.18 2enk s TYR 9 CO 0.00 -0.55 1.76 1.79 -1.11 0.00 0.00 175.55 177.44 2enk h THR 10 N 6.29 0.71 -2.84 -0.71 1.35 -2.00 -3.41 112.91 112.31 2enk h THR 10 Ca -0.17 -0.21 -0.16 0.00 -0.55 0.00 0.00 66.41 65.32 2enk h THR 10 Cb 1.14 0.03 -0.29 0.00 -1.73 0.00 0.00 68.15 67.31 2enk h THR 10 CO 0.24 0.11 -0.41 -1.58 -0.25 0.00 0.00 175.52 173.63 2enk s GLN 11 N -5.96 0.28 0.00 4.72 0.74 -1.26 -4.92 119.66 113.25 2enk s GLN 11 Ca -0.12 0.68 0.00 0.00 0.05 0.00 0.00 55.36 55.97 2enk s GLN 11 Cb 0.22 -0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.28 2enk s GLN 11 CO 0.78 -0.18 0.00 -1.71 -0.55 0.00 0.00 175.29 173.63 2enk n ASN 12 N 4.42 0.00 0.00 6.67 5.15 -1.26 -5.04 115.26 125.19 2enk n ASN 12 Ca -0.22 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.76 2enk n ASN 12 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 2enk n ASN 12 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2enk n ASN 13 N -1.86 1.80 -4.85 1.20 4.13 -1.26 -5.09 115.26 109.33 2enk n ASN 13 Ca 0.00 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.04 2enk n ASN 13 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 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 -1.79 3.16 -0.07 3.10 0.08 -1.26 -4.34 117.98 116.85 2enk s PHE 14 Ca 0.00 -0.10 0.05 0.00 0.12 0.00 0.00 56.93 56.99 2enk s PHE 14 Cb 0.00 -1.45 -0.01 0.00 -0.57 0.00 0.00 43.02 40.99 2enk s PHE 14 CO 0.00 0.49 -0.22 -1.50 -0.10 0.00 0.00 175.22 173.89 2enk s ILE 15 N -2.12 2.33 0.43 0.64 2.07 -0.82 -4.89 121.20 118.85 2enk s ILE 15 Ca 0.33 -0.96 -0.26 0.00 -1.41 0.00 0.00 60.65 58.36 2enk s ILE 15 Cb -0.08 -1.88 -0.09 0.00 0.13 0.00 0.00 42.46 40.53 2enk s ILE 15 CO 0.26 0.56 1.35 0.41 -1.91 0.00 0.00 174.94 175.61 2enk n THR 16 N 3.04 2.62 0.31 4.00 -1.04 -1.26 -1.35 114.28 120.60 2enk n THR 16 Ca -0.18 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.18 2enk n THR 16 Cb 0.52 -1.70 -0.08 0.00 -1.82 0.00 0.00 70.33 67.25 2enk n THR 16 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2enk h GLY 17 N 2.22 -1.17 0.71 3.41 0.00 -1.88 -1.27 103.07 105.09 2enk h GLY 17 Ca -0.49 0.50 0.18 0.00 0.00 0.00 0.00 47.33 47.52 2enk h GLY 17 CO 0.61 -0.38 0.47 -0.24 0.00 0.00 0.00 176.54 176.99 2enk h VAL 18 N -0.94 0.65 -0.33 4.60 3.04 -1.92 0.34 116.25 121.70 2enk h VAL 18 Ca -0.07 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.51 2enk h VAL 18 Cb 0.77 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2enk h VAL 18 CO 0.03 0.00 -0.19 0.03 -1.01 0.00 0.00 177.57 176.44 2enk h ARG 19 N 0.00 0.71 -0.23 4.17 3.08 -1.78 -2.65 114.38 117.68 2enk h ARG 19 Ca 0.30 -0.32 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 2enk h ARG 19 Cb 1.23 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2enk h ARG 19 CO -0.00 0.93 -0.47 0.00 -1.07 0.00 0.00 179.97 179.36 2enk h ALA 20 N 0.76 0.37 -0.00 0.04 0.00 0.16 -0.10 119.26 120.48 2enk h ALA 20 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2enk h ALA 20 Cb 0.73 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2enk h ALA 20 CO 0.05 0.52 0.00 0.82 0.00 0.00 0.00 179.25 180.65 2enk h ILE 21 N 0.44 0.61 0.00 0.00 2.04 -1.12 0.23 117.51 119.72 2enk h ILE 21 Ca 0.01 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.63 2enk h ILE 21 Cb 1.07 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 2enk h ILE 21 CO 0.10 0.00 -1.31 0.59 0.00 0.00 0.00 178.15 177.54 2enk n ASN 22 N -3.97 1.86 0.40 1.72 3.02 -1.00 -1.99 115.26 115.29 2enk n ASN 22 Ca -0.03 0.43 -0.18 0.00 -0.03 0.00 0.00 54.58 54.77 2enk n ASN 22 Cb 0.09 -0.95 -0.09 0.00 -0.61 0.00 0.00 39.78 38.22 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 -0.96 0.00 3.52 4.39 -0.85 -2.86 114.58 116.82 2enk h GLU 23 Ca -0.35 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.41 2enk h GLU 23 Cb 1.27 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2enk h GLU 23 CO -0.21 -0.63 0.00 0.74 -1.16 0.00 0.00 179.01 177.75 2enk h PHE 24 N -1.08 0.00 -5.57 4.33 -1.00 -0.77 -3.47 116.94 109.39 2enk h PHE 24 Ca -0.10 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.42 2enk h PHE 24 Cb 0.78 0.00 0.16 0.00 3.61 0.00 0.00 35.95 40.51 2enk h PHE 24 CO -0.01 0.00 -0.80 0.00 -1.61 0.00 0.00 178.31 175.89 2enk n LEU 26 N -3.25 0.00 -4.99 0.00 4.77 -0.84 -5.00 117.00 107.69 2enk n LEU 26 Ca -0.07 -0.87 -0.20 0.00 -0.03 0.00 0.00 56.01 54.84 2enk n LEU 26 Cb 0.61 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.74 2enk n LEU 26 CO 0.60 -0.32 0.33 -0.54 -1.33 0.00 0.00 177.39 176.12 2enk s LYS 27 N -2.66 2.51 -0.06 3.23 1.02 -1.26 -4.86 119.74 117.65 2enk s LYS 27 Ca 0.08 -0.99 -0.21 0.00 0.02 0.00 0.00 55.97 54.88 2enk s LYS 27 Cb -0.01 -2.55 -0.16 0.00 -0.52 0.00 0.00 37.83 34.60 2enk s LYS 27 CO 0.05 -0.69 0.81 0.77 -0.92 0.00 0.00 175.35 175.37 2enk h SER 28 N 0.15 -0.14 -0.14 2.83 0.02 -2.01 -3.23 113.55 111.03 2enk h SER 28 Ca -0.40 -0.41 0.04 0.00 -0.84 0.00 0.00 61.79 60.18 2enk h SER 28 Cb 1.29 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.86 2enk h SER 28 CO 0.48 0.45 0.12 0.28 -1.14 0.00 0.00 176.83 177.03 2enk h SER 29 N -0.87 0.00 0.80 3.07 0.02 -1.99 -2.67 113.55 111.91 2enk h SER 29 Ca -0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2enk h SER 29 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2enk h SER 29 CO 0.03 0.00 -0.45 0.44 -1.14 0.00 0.00 176.83 175.71 2enk h ASP 30 N 0.00 -1.10 -0.85 3.07 5.19 -1.97 -2.30 116.42 118.47 2enk h ASP 30 Ca 0.07 0.05 0.10 0.00 -0.62 0.00 0.00 57.03 56.63 2enk h ASP 30 Cb 0.30 0.31 -0.07 0.00 0.18 0.00 0.00 39.33 40.05 2enk h ASP 30 CO -0.00 -0.72 0.49 -0.07 -3.12 0.00 0.00 179.24 175.82 2enk h LEU 31 N -1.16 0.70 -1.74 1.55 -0.00 -1.50 -0.05 115.31 113.10 2enk h LEU 31 Ca -0.11 0.05 0.12 0.00 -0.00 0.00 0.00 57.88 57.94 2enk h LEU 31 Cb 0.91 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.45 2enk h LEU 31 CO 0.14 0.39 0.40 -0.33 -0.00 0.00 0.00 178.44 179.04 2enk h GLU 32 N 0.81 0.27 0.00 1.13 4.39 -1.29 0.15 114.58 120.04 2enk h GLU 32 Ca 0.41 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 60.06 2enk h GLU 32 Cb 0.38 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2enk h GLU 32 CO -0.25 0.18 -0.18 0.37 -1.16 0.00 0.00 179.01 177.97 2enk h GLN 33 N 0.28 0.00 -7.52 2.33 5.75 -0.42 -3.44 115.11 112.09 2enk h GLN 33 Ca 0.27 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 58.33 2enk h GLN 33 Cb 0.70 0.00 0.15 0.00 1.07 0.00 0.00 27.48 29.40 2enk h GLN 33 CO -0.06 0.18 0.28 -0.51 -2.65 0.00 0.00 178.83 176.07 2enk s LEU 34 N -7.76 1.82 -0.14 -2.39 1.43 0.52 -4.96 118.68 107.21 2enk s LEU 34 Ca -0.03 0.80 -0.29 0.00 -1.03 0.00 0.00 54.13 53.58 2enk s LEU 34 Cb 0.14 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 2enk s LEU 34 CO 0.64 -2.94 1.47 -0.60 0.23 0.00 0.00 176.35 175.14 2enk s ARG 35 N -5.38 4.13 -0.70 1.70 3.52 -1.26 -4.94 118.95 116.01 2enk s ARG 35 Ca 0.67 1.84 -0.27 0.00 -0.13 0.00 0.00 55.73 57.85 2enk s ARG 35 Cb -0.12 -3.90 0.02 0.00 -1.56 0.00 0.00 34.95 29.39 2enk s ARG 35 CO 0.54 -0.87 1.45 0.15 -0.81 0.00 0.00 175.30 175.76 2enk s LYS 36 N 3.92 3.02 -1.31 5.12 1.02 -1.26 -4.69 119.74 125.57 2enk s LYS 36 Ca 0.64 0.01 -0.17 0.00 0.02 0.00 0.00 55.97 56.47 2enk s LYS 36 Cb -0.26 -4.24 0.02 0.00 -0.52 0.00 0.00 37.83 32.83 2enk s LYS 36 CO 0.23 -2.32 1.96 -0.89 -0.92 0.00 0.00 175.35 173.41 2enk n ILE 37 N 6.62 3.40 -2.05 2.17 2.08 -1.06 -4.93 119.36 125.59 2enk n ILE 37 Ca 0.08 -3.29 -0.42 0.00 0.56 0.00 0.00 62.75 59.68 2enk n ILE 37 Cb 0.50 -2.43 -0.03 0.00 -0.75 0.00 0.00 39.64 36.93 2enk n ILE 37 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2enk s ARG 38 N 4.11 3.27 -0.06 0.38 3.52 -1.26 -3.97 118.95 124.93 2enk s ARG 38 Ca 0.53 1.25 -0.20 0.00 -0.13 0.00 0.00 55.73 57.18 2enk s ARG 38 Cb 0.08 -4.20 -0.16 0.00 -1.56 0.00 0.00 34.95 29.11 2enk s ARG 38 CO 0.02 -1.94 0.81 0.00 -0.81 0.00 0.00 175.30 173.38 2enk h ARG 39 N 12.90 -0.17 -2.81 5.12 3.08 -1.91 -3.50 114.38 127.09 2enk h ARG 39 Ca -0.32 0.01 0.33 0.00 0.07 0.00 0.00 59.98 60.08 2enk h ARG 39 Cb 1.16 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 31.15 2enk h ARG 39 CO 1.06 0.29 -0.56 -2.13 -1.07 0.00 0.00 179.97 177.57 2enk n ARG 40 N -4.88 -2.57 -3.45 0.04 3.00 -1.26 -5.03 116.66 102.52 2enk n ARG 40 Ca -0.07 1.77 -0.12 0.00 -0.00 0.00 0.00 57.85 59.43 2enk n ARG 40 Cb 0.27 -3.11 -0.02 0.00 0.00 0.00 0.00 32.46 29.60 2enk n ARG 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2enk s SER 41 N -6.59 -0.55 0.04 6.15 0.01 -1.26 -5.07 113.70 106.42 2enk s SER 41 Ca 0.00 -0.03 -0.21 0.00 1.31 0.00 0.00 55.95 57.02 2enk s SER 41 Cb 0.00 0.60 -0.15 0.00 0.21 0.00 0.00 66.02 66.69 2enk s SER 41 CO 0.00 -0.99 1.34 1.55 0.41 0.00 0.00 173.24 175.56 2enk h PRO 42 N 2.00 0.34 -1.94 12.44 0.13 -2.06 -3.27 132.00 139.65 2enk h PRO 42 Ca -0.33 -0.18 -0.75 0.00 -0.87 0.00 0.00 66.00 63.87 2enk h PRO 42 Cb 1.31 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.16 2enk h PRO 42 CO 0.37 0.73 0.92 1.58 -0.23 0.00 0.00 178.00 181.37 2enk n HIS 43 N -4.57 3.02 -3.94 1.56 -0.00 -1.26 -4.91 115.22 105.12 2enk n HIS 43 Ca -0.06 -2.40 -0.29 0.00 0.46 0.00 0.00 57.72 55.43 2enk n HIS 43 Cb 0.36 -1.11 -0.16 0.00 -0.12 0.00 0.00 29.99 28.95 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 -4.03 1.73 -0.36 1.57 2.12 -1.24 -5.00 118.70 113.49 2enk s GLU 44 Ca 0.52 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 55.26 2enk s GLU 44 Cb 0.44 -2.17 0.46 0.00 0.26 0.00 0.00 34.13 33.11 2enk s GLU 44 CO -0.39 -0.42 1.36 -0.25 -0.54 0.00 0.00 175.26 175.03 2enk n ASP 45 N 4.79 5.41 -3.63 -1.70 8.00 -1.26 -4.85 116.55 123.31 2enk n ASP 45 Ca -0.13 -3.76 -0.11 0.00 0.71 0.00 0.00 54.79 51.49 2enk n ASP 45 Cb 0.47 -0.47 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 2enk n ASP 45 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2enk s THR 46 N -4.61 0.00 0.51 -3.53 -4.23 -1.26 -5.10 115.64 97.42 2enk s THR 46 Ca 0.54 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.82 2enk s THR 46 Cb 0.43 -1.00 -0.06 0.00 1.34 0.00 0.00 72.50 73.21 2enk s THR 46 CO 0.03 0.00 1.37 -1.61 -0.54 0.00 0.00 174.62 173.87 2enk s GLU 47 N 0.67 3.35 0.12 3.99 2.02 -1.26 -5.03 118.70 122.55 2enk s GLU 47 Ca -0.02 2.28 0.02 0.00 0.02 0.00 0.00 54.97 57.26 2enk s GLU 47 Cb -0.05 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 2enk s GLU 47 CO -0.05 -1.04 -0.04 0.45 0.02 0.00 0.00 175.26 174.59 2enk s SER 48 N -0.82 1.12 0.44 -0.19 0.15 -1.26 -4.88 113.70 108.27 2enk s SER 48 Ca 0.68 -1.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.03 2enk s SER 48 Cb -0.41 0.11 -0.10 0.00 -1.71 0.00 0.00 66.02 63.91 2enk s SER 48 CO 0.50 -0.50 1.04 2.22 1.20 0.00 0.00 173.24 177.70 2enk n PHE 49 N -0.09 1.26 -4.21 3.44 1.16 -1.26 -4.98 117.46 112.78 2enk n PHE 49 Ca -0.11 0.54 -0.36 0.00 -1.87 0.00 0.00 57.45 55.66 2enk n PHE 49 Cb 0.61 -2.24 -0.08 0.00 -1.61 0.00 0.00 39.48 36.16 2enk n PHE 49 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 2enk s THR 50 N -1.29 4.71 0.36 1.97 2.01 -1.26 -4.93 115.64 117.21 2enk s THR 50 Ca 0.64 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.60 2enk s THR 50 Cb -0.54 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.96 2enk s THR 50 CO 0.56 0.61 0.51 0.68 -0.69 0.00 0.00 174.62 176.28 2enk s VAL 51 N -0.94 4.00 0.42 3.82 -7.23 -1.25 -2.93 120.40 116.29 2enk s VAL 51 Ca 0.14 -0.92 0.04 0.00 -1.81 0.00 0.00 61.98 59.43 2enk s VAL 51 Cb -0.12 -3.40 -0.02 0.00 0.56 0.00 0.00 36.38 33.40 2enk s VAL 51 CO 0.03 -0.17 0.12 -0.31 -0.31 0.00 0.00 175.10 174.46 2enk s TYR 52 N -2.24 1.80 -0.22 2.82 2.02 -0.46 -2.55 117.35 118.52 2enk s TYR 52 Ca 0.46 -1.26 -0.24 0.00 -0.37 0.00 0.00 57.07 55.66 2enk s TYR 52 Cb -0.10 -1.19 -0.01 0.00 -0.40 0.00 0.00 41.96 40.26 2enk s TYR 52 CO 0.32 -0.26 0.80 -0.51 -1.57 0.00 0.00 175.55 174.34 2enk s LEU 53 N -3.63 4.11 0.56 -1.29 2.01 -1.26 -1.94 118.68 117.23 2enk s LEU 53 Ca 0.22 1.03 0.27 0.00 0.01 0.00 0.00 54.13 55.66 2enk s LEU 53 Cb 0.02 -3.15 1.48 0.00 0.01 0.00 0.00 46.19 44.55 2enk s LEU 53 CO 0.14 -0.46 2.01 -0.09 1.01 0.00 0.00 176.35 178.96 2enk h ARG 54 N 7.59 0.00 0.07 1.70 1.12 -1.93 0.77 114.38 123.70 2enk h ARG 54 Ca -0.25 0.00 -0.25 0.00 -1.11 0.00 0.00 59.98 58.36 2enk h ARG 54 Cb 1.11 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 31.07 2enk h ARG 54 CO 0.85 0.00 -1.10 0.66 -3.11 0.00 0.00 179.97 177.27 2enk h SER 55 N 0.00 0.50 0.02 -3.80 4.64 -1.91 -2.80 113.55 110.20 2enk h SER 55 Ca 0.19 -0.46 -0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2enk h SER 55 Cb 0.86 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 2enk h SER 55 CO -0.00 1.31 -0.01 0.44 -0.87 0.00 0.00 176.83 177.69 2enk h ASP 56 N 0.15 -0.02 0.01 4.97 5.19 -1.32 -3.18 116.42 122.23 2enk h ASP 56 Ca -0.11 -0.54 -0.01 0.00 -0.62 0.00 0.00 57.03 55.75 2enk h ASP 56 Cb 1.78 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 41.30 2enk h ASP 56 CO 0.19 0.54 -0.02 0.58 -3.12 0.00 0.00 179.24 177.41 2enk h VAL 57 N -0.59 1.02 -0.66 -1.35 2.07 -1.24 -1.65 116.25 113.84 2enk h VAL 57 Ca -0.00 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2enk h VAL 57 Cb 0.56 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 2enk h VAL 57 CO 0.00 0.03 0.44 -0.08 0.02 0.00 0.00 177.57 177.98 2enk h GLU 58 N 0.02 0.69 0.00 1.57 4.81 -1.47 -1.98 114.58 118.22 2enk h GLU 58 Ca 0.00 -0.04 -0.25 0.00 -0.13 0.00 0.00 59.36 58.94 2enk h GLU 58 Cb 0.05 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.23 2enk h GLU 58 CO 0.00 0.45 -1.43 0.00 -0.73 0.00 0.00 179.01 177.31 2enk h ALA 59 N 1.63 0.63 -0.19 2.92 0.00 -1.38 -3.32 119.26 119.55 2enk h ALA 59 Ca 0.28 -1.23 0.06 0.00 0.00 0.00 0.00 54.91 54.02 2enk h ALA 59 Cb 0.21 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2enk h ALA 59 CO -0.09 1.42 0.20 -0.22 0.00 0.00 0.00 179.25 180.56 2enk h LYS 60 N 0.00 0.00 0.00 0.00 1.63 -0.70 0.15 116.57 117.65 2enk h LYS 60 Ca -0.18 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.47 2enk h LYS 60 Cb 1.89 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.50 2enk h LYS 60 CO 0.09 0.00 -0.90 0.66 -3.45 0.00 0.00 179.45 175.85 2enk h SER 61 N 0.00 0.00 0.67 4.20 4.64 -1.61 -3.09 113.55 118.37 2enk h SER 61 Ca 0.09 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.14 2enk h SER 61 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2enk h SER 61 CO -0.00 0.64 -1.24 -0.07 -0.87 0.00 0.00 176.83 175.29 2enk h LEU 62 N 0.00 0.35 -0.72 5.97 3.38 -0.91 -2.02 115.31 121.36 2enk h LEU 62 Ca -0.06 -0.38 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 2enk h LEU 62 Cb 1.54 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2enk h LEU 62 CO 0.07 1.30 -0.37 1.05 0.09 0.00 0.00 178.44 180.58 2enk h GLU 63 N 0.06 0.00 0.00 1.13 -0.00 -1.20 -0.84 114.58 113.74 2enk h GLU 63 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.23 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 0.19 0.37 0.00 0.28 -0.00 0.00 0.00 179.01 179.85 2enk n VAL 64 N -3.41 0.00 0.29 -1.06 0.31 -1.17 -4.44 118.33 108.86 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 0.85 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 -1.54 -3.46 115.95 118.53 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 -1.26 2.57 3.40 1.49 0.00 -0.32 -4.93 105.19 106.13 2enk n GLY 66 Ca -0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 2enk n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2enk s SER 67 N 0.15 -0.42 0.52 1.61 1.04 -1.21 -4.73 113.70 110.65 2enk s SER 67 Ca 0.00 -0.16 0.31 0.00 0.48 0.00 0.00 55.95 56.58 2enk s SER 67 Cb 0.00 0.56 1.28 0.00 0.10 0.00 0.00 66.02 67.95 2enk s SER 67 CO 0.00 -0.94 1.96 1.55 0.98 0.00 0.00 173.24 176.79 2enk h PRO 68 N 2.14 0.00 -0.32 4.02 0.13 -1.90 -3.00 132.00 133.06 2enk h PRO 68 Ca -0.33 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.63 2enk h PRO 68 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2enk h PRO 68 CO 0.41 0.08 -0.44 0.93 -0.23 0.00 0.00 178.00 178.75 2enk h GLU 69 N 0.00 0.84 -0.83 0.86 5.08 -1.98 -1.60 114.58 116.95 2enk h GLU 69 Ca -0.00 -0.47 0.07 0.00 -1.00 0.00 0.00 59.36 57.96 2enk h GLU 69 Cb 0.55 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 2enk h GLU 69 CO 0.01 1.10 0.50 0.00 -1.00 0.00 0.00 179.01 179.63 2enk h ALA 70 N 0.82 1.16 0.01 3.43 0.00 -1.88 -2.03 119.26 120.76 2enk h ALA 70 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 2enk h ALA 70 Cb 1.02 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.63 2enk h ALA 70 CO 0.10 0.21 -0.92 1.25 0.00 0.00 0.00 179.25 179.90 2enk h LEU 71 N 0.90 0.80 -1.58 0.00 5.85 -1.64 -3.23 115.31 116.40 2enk h LEU 71 Ca 0.37 -0.75 0.19 0.00 0.84 0.00 0.00 57.88 58.54 2enk h LEU 71 Cb 0.22 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 2enk h LEU 71 CO -0.19 1.44 0.57 0.00 -0.34 0.00 0.00 178.44 179.92 2enk h ALA 72 N 0.37 2.24 -0.68 1.25 0.00 -0.85 0.15 119.26 121.73 2enk h ALA 72 Ca -0.12 0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.93 2enk h ALA 72 Cb 1.59 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 2enk h ALA 72 CO 0.18 -0.50 0.46 0.00 0.00 0.00 0.00 179.25 179.39 2enk h ARG 73 N 0.37 0.41 0.12 0.00 3.08 -1.39 -0.24 114.38 116.72 2enk h ARG 73 Ca 0.43 -0.02 -0.35 0.00 0.07 0.00 0.00 59.98 60.11 2enk h ARG 73 Cb 1.12 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 2enk h ARG 73 CO -0.14 0.27 -1.90 0.93 -1.07 0.00 0.00 179.97 178.05 2enk h GLU 74 N 0.42 0.26 -0.94 0.04 4.39 -0.92 -3.37 114.58 114.46 2enk h GLU 74 Ca 0.32 -0.44 0.06 0.00 0.34 0.00 0.00 59.36 59.65 2enk h GLU 74 Cb 0.69 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.44 2enk h GLU 74 CO -0.10 1.15 0.61 0.87 -1.16 0.00 0.00 179.01 180.39 2enk h LYS 75 N 0.07 1.06 0.00 2.33 1.79 -0.65 -1.13 116.57 120.04 2enk h LYS 75 Ca -0.39 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.04 2enk h LYS 75 Cb 2.04 -0.24 -0.03 0.00 -1.58 0.00 0.00 32.23 32.42 2enk h LYS 75 CO 0.11 0.70 -0.17 -0.22 -1.08 0.00 0.00 179.45 178.79 2enk h LYS 76 N 1.09 -0.27 0.19 3.15 3.64 -1.22 0.19 116.57 123.34 2enk h LYS 76 Ca 0.40 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 2enk h LYS 76 Cb 0.18 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2enk h LYS 76 CO -0.15 -0.18 -0.09 -0.07 -2.27 0.00 0.00 179.45 176.69 2enk h LEU 77 N -0.28 -0.21 -0.87 5.20 -0.00 -1.60 -1.06 115.31 116.48 2enk h LEU 77 Ca 0.05 -0.11 0.14 0.00 -0.00 0.00 0.00 57.88 57.96 2enk h LEU 77 Cb 0.35 0.05 -0.09 0.00 -0.00 0.00 0.00 40.66 40.98 2enk h LEU 77 CO -0.16 -0.02 0.47 0.03 -0.00 0.00 0.00 178.44 178.76 2enk h ARG 78 N -0.40 0.67 0.55 1.13 2.47 -1.06 0.68 114.38 118.43 2enk h ARG 78 Ca -0.03 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 2enk h ARG 78 Cb 0.31 -0.15 0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2enk h ARG 78 CO 0.04 0.44 -0.26 -0.22 0.56 0.00 0.00 179.97 180.53 2enk h LYS 79 N 0.69 -0.71 -0.80 0.04 3.64 -0.44 -2.98 116.57 116.01 2enk h LYS 79 Ca 0.46 0.05 0.18 0.00 -1.27 0.00 0.00 60.65 60.07 2enk h LYS 79 Cb 0.60 0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 2enk h LYS 79 CO -0.33 -0.40 0.54 0.93 -2.27 0.00 0.00 179.45 177.91 2enk h GLU 80 N -0.99 0.33 0.16 1.90 4.39 -0.77 -1.87 114.58 117.74 2enk h GLU 80 Ca -0.08 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.62 2enk h GLU 80 Cb 0.64 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 2enk h GLU 80 CO 0.12 0.22 -0.28 0.00 -1.16 0.00 0.00 179.01 177.91 2enk h ALA 81 N 1.63 -0.51 -0.71 3.43 0.00 -0.72 0.10 119.26 122.49 2enk h ALA 81 Ca 0.40 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.31 2enk h ALA 81 Cb 1.05 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 2enk h ALA 81 CO -0.12 -0.83 0.41 0.93 0.00 0.00 0.00 179.25 179.64 2enk h GLU 82 N -0.52 0.74 -0.36 0.00 5.08 -1.26 -1.80 114.58 116.46 2enk h GLU 82 Ca 0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2enk h GLU 82 Cb 0.53 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2enk h GLU 82 CO -0.14 0.49 0.22 0.82 -1.00 0.00 0.00 179.01 179.40 2enk h ILE 83 N 0.76 1.12 0.00 3.13 2.04 -1.16 0.27 117.51 123.67 2enk h ILE 83 Ca 0.31 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 2enk h ILE 83 Cb 0.16 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2enk h ILE 83 CO -0.17 0.12 -0.05 -0.33 0.00 0.00 0.00 178.15 177.72 2enk h GLU 84 N 0.47 0.00 0.00 2.37 4.39 -0.27 0.22 114.58 121.76 2enk h GLU 84 Ca 0.13 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 2enk h GLU 84 Cb -0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2enk h GLU 84 CO -0.03 0.05 -0.04 -0.92 -1.16 0.00 0.00 179.01 176.91 2enk h TYR 85 N 0.00 0.00 0.00 4.33 3.20 -0.50 -3.33 116.97 120.66 2enk h TYR 85 Ca -0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2enk h TYR 85 Cb 0.12 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.38 2enk h TYR 85 CO 0.00 0.09 -0.03 0.07 -1.64 0.00 0.00 178.16 176.65 2enk h ARG 86 N -1.00 0.00 0.10 1.82 -0.00 -0.90 -3.07 114.38 111.33 2enk h ARG 86 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2enk h ARG 86 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.08 2enk h ARG 86 CO -0.00 0.03 -0.13 0.93 -0.00 0.00 0.00 179.97 180.80 2enk h GLU 87 N 0.00 -0.23 -0.85 0.08 4.39 -0.69 0.18 114.58 117.46 2enk h GLU 87 Ca -0.00 0.02 0.19 0.00 0.34 0.00 0.00 59.36 59.91 2enk h GLU 87 Cb 0.07 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 2enk h GLU 87 CO 0.00 -0.15 0.57 0.07 -1.16 0.00 0.00 179.01 178.34 2enk h ARG 88 N -0.24 0.35 -0.41 2.33 0.11 -1.65 -0.12 114.38 114.74 2enk h ARG 88 Ca -0.01 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.00 2enk h ARG 88 Cb 0.22 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 2enk h ARG 88 CO -0.04 0.23 0.09 -0.07 0.10 0.00 0.00 179.97 180.28 2enk h LEU 89 N 0.36 0.63 -1.34 0.08 3.38 -1.32 -1.67 115.31 115.43 2enk h LEU 89 Ca 0.43 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.17 2enk h LEU 89 Cb 1.13 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2enk h LEU 89 CO -0.14 0.71 0.44 -0.26 0.09 0.00 0.00 178.44 179.28 2enk h PHE 90 N 0.52 0.84 -0.04 1.13 0.04 0.12 -1.72 116.94 117.85 2enk h PHE 90 Ca 0.13 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.77 2enk h PHE 90 Cb 0.33 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 2enk h PHE 90 CO 0.02 0.53 -0.65 0.00 -0.60 0.00 0.00 178.31 177.62 2enk h ARG 91 N 0.91 0.15 -0.04 1.51 3.08 -1.19 -3.00 114.38 115.81 2enk h ARG 91 Ca 0.25 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2enk h ARG 91 Cb -0.10 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2enk h ARG 91 CO -0.05 0.74 -0.28 -0.97 -1.07 0.00 0.00 179.97 178.34 2enk h ASN 92 N 0.11 0.06 0.06 7.04 -0.73 -0.39 -3.30 115.58 118.42 2enk h ASN 92 Ca -0.01 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.14 2enk h ASN 92 Cb 1.16 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.73 2enk h ASN 92 CO 0.09 0.35 -0.03 1.56 -0.37 0.00 0.00 177.43 179.04 2enk h GLN 93 N 0.06 -0.07 -6.53 6.67 4.20 -1.34 -3.44 115.11 114.66 2enk h GLN 93 Ca 0.01 0.01 -0.53 0.00 0.06 0.00 0.00 58.65 58.19 2enk h GLN 93 Cb 0.54 0.02 0.04 0.00 0.30 0.00 0.00 27.48 28.37 2enk h GLN 93 CO 0.04 -0.05 1.00 0.15 -0.67 0.00 0.00 178.83 179.30 2enk s LYS 94 N -1.83 4.18 0.35 1.46 1.02 -1.14 -4.89 119.74 118.89 2enk s LYS 94 Ca -0.01 2.44 0.15 0.00 0.02 0.00 0.00 55.97 58.57 2enk s LYS 94 Cb 0.00 -3.44 0.63 0.00 -0.52 0.00 0.00 37.83 34.51 2enk s LYS 94 CO 0.03 -0.74 1.74 0.97 -0.92 0.00 0.00 175.35 176.44 2enk h ILE 95 N 4.48 1.15 -3.31 2.17 2.10 -1.86 -3.45 117.51 118.78 2enk h ILE 95 Ca -0.44 -1.59 0.37 0.00 1.08 0.00 0.00 64.86 64.29 2enk h ILE 95 Cb 1.21 1.90 -0.14 0.00 -1.09 0.00 0.00 36.82 38.70 2enk h ILE 95 CO 0.93 0.43 -0.83 0.18 -1.08 0.00 0.00 178.15 177.78 2enk n LEU 96 N -3.78 -0.84 -3.81 2.19 4.32 -1.26 -4.98 117.00 108.84 2enk n LEU 96 Ca -0.01 1.91 -0.12 0.00 -0.02 0.00 0.00 56.01 57.77 2enk n LEU 96 Cb 0.50 -4.58 -0.11 0.00 -1.62 0.00 0.00 43.42 37.60 2enk n LEU 96 CO 0.39 -3.15 -0.14 -0.13 -1.22 0.00 0.00 177.39 173.14 2enk s ARG 97 N -3.08 0.31 -0.41 3.23 0.52 -1.26 -5.11 118.95 113.15 2enk s ARG 97 Ca 0.00 0.12 -0.29 0.00 -0.52 0.00 0.00 55.73 55.04 2enk s ARG 97 Cb 0.00 0.14 0.01 0.00 0.52 0.00 0.00 34.95 35.62 2enk s ARG 97 CO 0.00 -0.05 1.47 -2.00 0.02 0.00 0.00 175.30 174.73 2enk s GLU 98 N -0.27 3.51 0.89 3.54 2.56 -1.26 -4.83 118.70 122.84 2enk s GLU 98 Ca -0.04 0.96 0.00 0.00 0.00 0.00 0.00 54.97 55.89 2enk s GLU 98 Cb -0.03 -4.06 0.00 0.00 2.00 0.00 0.00 34.13 32.04 2enk s GLU 98 CO 0.01 -1.64 0.00 0.66 -0.56 0.00 0.00 175.26 173.73 2enk n TYR 99 N 9.10 -2.72 -3.92 5.30 4.01 -1.26 -4.88 117.16 122.79 2enk n TYR 99 Ca 0.17 0.86 -0.22 0.00 -0.16 0.00 0.00 57.90 58.55 2enk n TYR 99 Cb 0.48 -1.48 -0.04 0.00 -0.31 0.00 0.00 39.34 37.98 2enk n TYR 99 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2enk s ARG 100 N -1.15 2.67 0.00 -0.72 1.81 -1.26 -5.23 118.95 115.07 2enk s ARG 100 Ca 0.00 -1.32 0.00 0.00 -1.72 0.00 0.00 55.73 52.69 2enk s ARG 100 Cb 0.00 -2.42 0.00 0.00 -0.45 0.00 0.00 34.95 32.08 2enk s ARG 100 CO 0.00 0.14 0.00 -3.47 -0.68 0.00 0.00 175.30 171.29