#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 0.28 -0.29 1.61 0.01 -1.26 -5.11 113.70 108.94 2enk s SER 2 Ca 0.00 0.19 -0.00 0.00 1.31 0.00 0.00 55.95 57.45 2enk s SER 2 Cb 0.00 0.07 0.14 0.00 0.21 0.00 0.00 66.02 66.44 2enk s SER 2 CO 0.00 -0.18 0.31 -0.55 0.41 0.00 0.00 173.24 173.23 2enk s SER 3 N 1.49 1.49 0.00 2.44 0.15 -1.26 -5.13 113.70 112.89 2enk s SER 3 Ca -0.05 -0.68 0.00 0.00 0.70 0.00 0.00 55.95 55.92 2enk s SER 3 Cb -0.12 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2enk s SER 3 CO -0.05 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2enk n GLY 4 N 5.32 0.84 3.38 9.45 0.00 -1.26 -4.90 105.19 118.02 2enk n GLY 4 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.00 6.81 -0.02 1.61 0.01 -1.26 -4.96 113.70 114.89 2enk s SER 5 Ca 0.00 -2.60 -0.30 0.00 1.31 0.00 0.00 55.95 54.36 2enk s SER 5 Cb 0.00 -2.29 0.10 0.00 0.21 0.00 0.00 66.02 64.05 2enk s SER 5 CO 0.00 -0.71 0.99 -0.55 0.41 0.00 0.00 173.24 173.37 2enk s SER 6 N 2.60 -0.27 0.00 2.44 0.15 -1.26 -5.17 113.70 112.18 2enk s SER 6 Ca 0.26 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2enk s SER 6 Cb -0.08 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2enk s SER 6 CO -0.08 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2enk n GLY 7 N -0.26 0.52 0.99 9.45 0.00 -1.26 -5.01 105.19 109.61 2enk n GLY 7 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2enk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2enk n LYS 8 N 0.00 1.81 -4.03 1.61 2.85 -1.26 -5.05 118.16 114.10 2enk n LYS 8 Ca 0.00 -3.35 -0.28 0.00 -1.05 0.00 0.00 58.31 53.63 2enk n LYS 8 Cb 0.00 -1.59 -0.05 0.00 -0.65 0.00 0.00 35.03 32.74 2enk n LYS 8 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 2enk s TYR 9 N -3.02 3.27 -0.07 5.58 1.51 -1.26 -5.02 117.35 118.34 2enk s TYR 9 Ca 0.40 0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.59 2enk s TYR 9 Cb 0.38 -1.60 0.16 0.00 -0.11 0.00 0.00 41.96 40.80 2enk s TYR 9 CO -0.06 0.53 1.13 2.41 -1.11 0.00 0.00 175.55 178.44 2enk n THR 10 N -0.16 0.06 -3.62 -0.71 -1.04 -1.26 -5.02 114.28 102.53 2enk n THR 10 Ca -0.08 -0.47 -0.25 0.00 -2.04 0.00 0.00 64.05 61.21 2enk n THR 10 Cb 0.53 0.70 0.04 0.00 -1.82 0.00 0.00 70.33 69.79 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 -0.20 -2.47 -3.11 -2.82 6.02 -1.26 -4.95 117.38 108.59 2enk n GLN 11 Ca -0.19 0.58 -0.39 0.00 -0.01 0.00 0.00 57.00 56.99 2enk n GLN 11 Cb 0.81 -4.75 -0.06 0.00 1.02 0.00 0.00 30.24 27.26 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 -3.73 7.24 -0.35 1.08 -0.87 -1.26 -5.00 114.94 112.06 2enk s ASN 12 Ca 0.33 1.47 0.14 0.00 -1.57 0.00 0.00 52.86 53.23 2enk s ASN 12 Cb -0.10 -2.44 0.45 0.00 -0.02 0.00 0.00 41.25 39.15 2enk s ASN 12 CO 0.83 0.23 1.02 -3.20 -2.57 0.00 0.00 177.10 173.41 2enk n ASN 13 N 1.70 2.56 -4.39 -1.22 5.15 -1.26 -5.08 115.26 112.72 2enk n ASN 13 Ca -0.08 -2.99 -0.23 0.00 -0.60 0.00 0.00 54.58 50.69 2enk n ASN 13 Cb 0.50 -0.50 -0.11 0.00 -0.53 0.00 0.00 39.78 39.14 2enk n ASN 13 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2enk s PHE 14 N -3.33 2.03 0.01 1.20 0.40 -1.26 -4.44 117.98 112.58 2enk s PHE 14 Ca 0.34 -0.43 0.04 0.00 -0.60 0.00 0.00 56.93 56.28 2enk s PHE 14 Cb 0.43 -0.96 -0.01 0.00 0.51 0.00 0.00 43.02 42.99 2enk s PHE 14 CO -0.03 0.48 -0.12 -1.50 0.70 0.00 0.00 175.22 174.74 2enk s ILE 15 N -2.26 0.92 0.73 0.64 2.07 -1.15 -4.98 121.20 117.17 2enk s ILE 15 Ca 0.22 -0.66 -0.12 0.00 -1.41 0.00 0.00 60.65 58.68 2enk s ILE 15 Cb -0.05 -0.80 0.04 0.00 0.13 0.00 0.00 42.46 41.77 2enk s ILE 15 CO 0.10 0.14 1.10 -0.89 -1.91 0.00 0.00 174.94 173.47 2enk s THR 16 N -0.49 3.29 0.01 4.00 2.01 -1.26 -1.24 115.64 121.96 2enk s THR 16 Ca 0.03 0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.41 2enk s THR 16 Cb -0.06 -2.98 -0.06 0.00 0.01 0.00 0.00 72.50 69.41 2enk s THR 16 CO 0.00 -0.48 1.03 1.23 -0.69 0.00 0.00 174.62 175.70 2enk h GLY 17 N -0.69 -0.38 0.39 4.40 0.00 -1.91 -2.14 103.07 102.73 2enk h GLY 17 Ca -0.45 0.14 0.22 0.00 0.00 0.00 0.00 47.33 47.25 2enk h GLY 17 CO 0.52 -0.14 0.58 -0.24 0.00 0.00 0.00 176.54 177.26 2enk h VAL 18 N -0.41 0.63 -0.42 4.60 3.04 -1.94 0.35 116.25 122.10 2enk h VAL 18 Ca -0.04 -0.04 -0.03 0.00 -1.01 0.00 0.00 66.70 65.58 2enk h VAL 18 Cb 0.28 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 2enk h VAL 18 CO 0.06 0.02 0.15 0.03 -1.01 0.00 0.00 177.57 176.82 2enk h ARG 19 N 0.13 0.63 -0.25 4.17 3.08 -1.92 -2.28 114.38 117.93 2enk h ARG 19 Ca 0.40 -0.12 -0.17 0.00 0.07 0.00 0.00 59.98 60.15 2enk h ARG 19 Cb 1.40 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.35 2enk h ARG 19 CO -0.06 0.61 -0.54 0.00 -1.07 0.00 0.00 179.97 178.91 2enk h ALA 20 N 1.00 0.57 -0.04 0.04 0.00 -0.29 0.16 119.26 120.69 2enk h ALA 20 Ca 0.14 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2enk h ALA 20 Cb 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2enk h ALA 20 CO -0.01 0.68 0.02 0.82 0.00 0.00 0.00 179.25 180.77 2enk h ILE 21 N 0.58 1.01 0.00 0.00 2.04 -1.08 0.33 117.51 120.39 2enk h ILE 21 Ca 0.01 -0.04 -0.21 0.00 1.00 0.00 0.00 64.86 65.62 2enk h ILE 21 Cb 1.12 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2enk h ILE 21 CO 0.11 0.02 -1.32 0.59 0.00 0.00 0.00 178.15 177.55 2enk n ASN 22 N -4.53 1.87 0.19 1.72 3.02 -0.87 -1.46 115.26 115.20 2enk n ASN 22 Ca -0.02 0.45 -0.16 0.00 -0.03 0.00 0.00 54.58 54.82 2enk n ASN 22 Cb 0.09 -0.91 -0.08 0.00 -0.61 0.00 0.00 39.78 38.27 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 -0.74 0.00 3.52 4.39 -0.64 -2.14 114.58 117.97 2enk h GLU 23 Ca -0.32 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.43 2enk h GLU 23 Cb 1.18 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2enk h GLU 23 CO -0.20 -0.49 0.00 0.74 -1.16 0.00 0.00 179.01 177.90 2enk h PHE 24 N -0.76 0.00 -5.09 4.33 -1.00 -1.13 -3.46 116.94 109.83 2enk h PHE 24 Ca -0.01 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.51 2enk h PHE 24 Cb 0.72 0.00 0.15 0.00 3.61 0.00 0.00 35.95 40.43 2enk h PHE 24 CO -0.29 0.00 -0.67 0.00 -1.61 0.00 0.00 178.31 175.73 2enk n LEU 26 N -3.46 0.00 -4.67 0.00 4.77 -0.54 -4.98 117.00 108.12 2enk n LEU 26 Ca -0.19 -0.17 -0.32 0.00 -0.03 0.00 0.00 56.01 55.30 2enk n LEU 26 Cb 0.63 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 2enk n LEU 26 CO 0.51 -0.41 -0.33 -0.54 -1.33 0.00 0.00 177.39 175.28 2enk s LYS 27 N -2.16 2.67 0.29 3.23 3.01 -1.26 -4.82 119.74 120.70 2enk s LYS 27 Ca 0.03 -0.71 -0.01 0.00 -1.01 0.00 0.00 55.97 54.27 2enk s LYS 27 Cb -0.00 -2.60 0.47 0.00 -1.01 0.00 0.00 37.83 34.68 2enk s LYS 27 CO 0.02 0.59 1.94 0.66 0.51 0.00 0.00 175.35 179.07 2enk h SER 28 N 4.05 0.95 0.10 2.83 4.64 -2.00 -0.61 113.55 123.52 2enk h SER 28 Ca -0.48 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.81 2enk h SER 28 Cb 1.17 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2enk h SER 28 CO 0.58 0.65 -0.06 0.28 -0.87 0.00 0.00 176.83 177.40 2enk h SER 29 N 1.10 0.00 0.03 4.97 0.02 -2.00 -1.95 113.55 115.73 2enk h SER 29 Ca 0.35 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.24 2enk h SER 29 Cb 0.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2enk h SER 29 CO -0.11 0.06 -0.29 0.44 -1.14 0.00 0.00 176.83 175.80 2enk h ASP 30 N 0.00 0.19 -0.42 3.07 5.19 -1.54 -3.17 116.42 119.74 2enk h ASP 30 Ca -0.00 -0.90 0.05 0.00 -0.62 0.00 0.00 57.03 55.56 2enk h ASP 30 Cb 0.13 -0.06 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 2enk h ASP 30 CO 0.01 1.08 0.15 -0.07 -3.12 0.00 0.00 179.24 177.28 2enk h LEU 31 N -0.66 0.15 -2.30 1.55 -0.00 -1.09 -0.33 115.31 112.62 2enk h LEU 31 Ca -0.05 0.05 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2enk h LEU 31 Cb 1.15 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 2enk h LEU 31 CO 0.05 0.12 0.03 1.05 -0.00 0.00 0.00 178.44 179.70 2enk h GLU 32 N 0.31 0.00 0.00 1.13 4.11 -1.48 -0.23 114.58 118.42 2enk h GLU 32 Ca 0.20 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.55 2enk h GLU 32 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2enk h GLU 32 CO -0.20 0.00 -0.35 0.37 0.07 0.00 0.00 179.01 178.90 2enk h GLN 33 N 0.00 0.00 0.00 1.06 5.75 -1.03 -3.45 115.11 117.45 2enk h GLN 33 Ca 0.02 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.32 2enk h GLN 33 Cb 0.08 0.00 0.09 0.00 1.07 0.00 0.00 27.48 28.72 2enk h GLN 33 CO -0.00 0.35 0.12 1.28 -2.65 0.00 0.00 178.83 177.93 2enk n LEU 34 N -3.74 0.00 -4.68 -2.39 4.77 -0.10 -4.96 117.00 105.90 2enk n LEU 34 Ca -0.01 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 54.92 2enk n LEU 34 Cb 0.44 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2enk n LEU 34 CO 0.37 -1.30 1.02 -0.60 -1.33 0.00 0.00 177.39 175.54 2enk s ARG 35 N -4.29 4.30 -0.67 3.23 3.52 -1.26 -4.97 118.95 118.81 2enk s ARG 35 Ca 0.35 1.71 -0.24 0.00 -0.13 0.00 0.00 55.73 57.43 2enk s ARG 35 Cb -0.02 -3.63 0.06 0.00 -1.56 0.00 0.00 34.95 29.79 2enk s ARG 35 CO 0.26 -0.55 1.05 0.15 -0.81 0.00 0.00 175.30 175.40 2enk s LYS 36 N 2.66 3.16 -0.31 5.12 3.01 -1.26 -4.76 119.74 127.37 2enk s LYS 36 Ca 0.57 -0.59 -0.19 0.00 -1.01 0.00 0.00 55.97 54.74 2enk s LYS 36 Cb -0.25 -4.19 -0.01 0.00 -1.01 0.00 0.00 37.83 32.37 2enk s LYS 36 CO 0.20 -1.87 0.59 0.42 0.51 0.00 0.00 175.35 175.20 2enk s ILE 37 N 4.53 4.97 -0.30 2.17 1.09 -1.17 -5.04 121.20 127.46 2enk s ILE 37 Ca 0.27 0.75 -0.01 0.00 -1.10 0.00 0.00 60.65 60.56 2enk s ILE 37 Cb -0.14 -3.96 0.05 0.00 -1.06 0.00 0.00 42.46 37.35 2enk s ILE 37 CO 0.13 -0.12 -0.00 -0.13 -0.10 0.00 0.00 174.94 174.72 2enk s ARG 38 N 2.52 2.39 -0.22 2.79 0.52 -1.26 -3.23 118.95 122.46 2enk s ARG 38 Ca 0.23 -1.29 0.02 0.00 -0.52 0.00 0.00 55.73 54.17 2enk s ARG 38 Cb -0.15 -3.17 -0.14 0.00 0.52 0.00 0.00 34.95 32.00 2enk s ARG 38 CO 0.12 -0.63 -0.19 0.54 0.02 0.00 0.00 175.30 175.16 2enk n ARG 39 N 4.60 0.56 -2.93 3.54 1.74 -1.26 -4.47 116.66 118.44 2enk n ARG 39 Ca -0.13 0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2enk n ARG 39 Cb 0.43 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.39 2enk n ARG 39 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2enk s ARG 40 N -2.44 3.25 -0.80 5.56 0.52 -1.26 -4.40 118.95 119.38 2enk s ARG 40 Ca -0.29 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.40 2enk s ARG 40 Cb 0.07 -4.08 -0.00 0.00 0.52 0.00 0.00 34.95 31.46 2enk s ARG 40 CO 0.51 -1.44 0.69 0.43 0.02 0.00 0.00 175.30 175.50 2enk n SER 41 N 7.11 -6.81 -4.56 0.23 7.64 -1.26 -4.81 113.62 111.15 2enk n SER 41 Ca -0.01 -0.40 -0.27 0.00 1.01 0.00 0.00 58.87 59.20 2enk n SER 41 Cb 0.47 -4.21 -0.05 0.00 -1.01 0.00 0.00 64.21 59.41 2enk n SER 41 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2enk s PRO 42 N -3.76 2.54 0.23 1.43 0.04 -1.26 -3.86 135.00 130.37 2enk s PRO 42 Ca 0.05 -0.50 0.00 0.00 0.04 0.00 0.00 61.00 60.59 2enk s PRO 42 Cb -0.01 -5.11 0.00 0.00 0.04 0.00 0.00 34.50 29.42 2enk s PRO 42 CO 0.80 -3.52 0.00 0.72 0.04 0.00 0.00 177.00 175.04 2enk n HIS 43 N 14.06 -3.40 -0.97 0.56 8.25 -1.26 -5.10 115.22 127.36 2enk n HIS 43 Ca 0.41 0.81 -0.29 0.00 -0.26 0.00 0.00 57.72 58.39 2enk n HIS 43 Cb 0.47 2.22 0.20 0.00 1.12 0.00 0.00 29.99 33.99 2enk n HIS 43 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2enk s GLU 44 N -2.00 0.03 -0.15 -0.41 2.02 -1.25 -5.00 118.70 111.94 2enk s GLU 44 Ca 0.00 0.65 0.03 0.00 0.02 0.00 0.00 54.97 55.67 2enk s GLU 44 Cb 0.00 -1.68 0.11 0.00 0.10 0.00 0.00 34.13 32.65 2enk s GLU 44 CO 0.00 -3.03 0.85 -0.40 0.02 0.00 0.00 175.26 172.70 2enk n ASP 45 N -4.41 -0.60 -0.02 -0.19 5.68 -1.26 -4.94 116.55 110.82 2enk n ASP 45 Ca 0.05 -1.43 -0.02 0.00 -0.50 0.00 0.00 54.79 52.89 2enk n ASP 45 Cb 0.56 0.39 -0.03 0.00 -1.14 0.00 0.00 41.12 40.90 2enk n ASP 45 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 2enk n THR 46 N -0.44 0.23 -2.70 2.12 5.66 -1.26 -4.85 114.28 113.05 2enk n THR 46 Ca -0.10 -0.15 -0.02 0.00 -3.05 0.00 0.00 64.05 60.74 2enk n THR 46 Cb 0.62 -0.89 0.12 0.00 -1.55 0.00 0.00 70.33 68.62 2enk n THR 46 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2enk n GLU 47 N -2.12 1.42 -4.49 1.09 2.13 -1.26 -5.13 120.64 112.28 2enk n GLU 47 Ca -0.06 -1.61 -0.29 0.00 0.66 0.00 0.00 57.16 55.86 2enk n GLU 47 Cb 0.61 0.08 -0.13 0.00 0.27 0.00 0.00 31.44 32.26 2enk n GLU 47 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2enk s SER 48 N -1.56 3.36 0.32 4.31 0.01 -1.26 -5.12 113.70 113.75 2enk s SER 48 Ca 0.13 -0.69 -0.27 0.00 1.31 0.00 0.00 55.95 56.42 2enk s SER 48 Cb 0.43 -0.28 -0.09 0.00 0.21 0.00 0.00 66.02 66.29 2enk s SER 48 CO -0.11 0.20 1.00 0.72 0.41 0.00 0.00 173.24 175.46 2enk s PHE 49 N -1.02 3.62 -0.31 2.43 -0.12 -1.26 -4.98 117.98 116.35 2enk s PHE 49 Ca 0.14 1.76 0.03 0.00 -0.05 0.00 0.00 56.93 58.81 2enk s PHE 49 Cb -0.10 -3.06 0.09 0.00 -0.63 0.00 0.00 43.02 39.31 2enk s PHE 49 CO 0.06 -0.11 0.00 0.99 -0.05 0.00 0.00 175.22 176.11 2enk s THR 50 N -1.45 2.04 0.57 -4.49 2.01 -1.26 -4.97 115.64 108.10 2enk s THR 50 Ca 0.49 -1.96 -0.19 0.00 0.31 0.00 0.00 61.69 60.34 2enk s THR 50 Cb -0.24 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.83 2enk s THR 50 CO 0.30 -0.41 1.18 0.68 -0.69 0.00 0.00 174.62 175.68 2enk s VAL 51 N 1.07 2.84 0.41 3.82 -7.23 -1.20 -3.60 120.40 116.52 2enk s VAL 51 Ca 0.04 0.53 0.04 0.00 -1.81 0.00 0.00 61.98 60.77 2enk s VAL 51 Cb -0.19 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.49 2enk s VAL 51 CO -0.09 -0.11 0.05 -0.31 -0.31 0.00 0.00 175.10 174.33 2enk s TYR 52 N -1.66 2.03 -0.09 2.82 2.02 -0.37 -3.03 117.35 119.07 2enk s TYR 52 Ca 0.76 -0.96 -0.21 0.00 -0.37 0.00 0.00 57.07 56.28 2enk s TYR 52 Cb -0.28 -1.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2enk s TYR 52 CO 0.30 0.10 0.59 -0.51 -1.57 0.00 0.00 175.55 174.47 2enk s LEU 53 N -3.67 4.29 0.54 -1.29 2.01 -1.26 -2.94 118.68 116.36 2enk s LEU 53 Ca 0.25 1.01 0.21 0.00 0.01 0.00 0.00 54.13 55.60 2enk s LEU 53 Cb 0.06 -2.90 1.42 0.00 0.01 0.00 0.00 46.19 44.78 2enk s LEU 53 CO 0.12 -0.06 2.13 -0.09 1.01 0.00 0.00 176.35 179.46 2enk h ARG 54 N 6.75 0.00 -0.02 1.70 2.43 -1.93 -0.27 114.38 123.05 2enk h ARG 54 Ca -0.41 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.61 2enk h ARG 54 Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 2enk h ARG 54 CO 0.75 0.00 -0.69 1.03 -1.51 0.00 0.00 179.97 179.55 2enk h SER 55 N 0.00 0.15 0.00 -3.80 0.87 -1.92 -2.53 113.55 106.32 2enk h SER 55 Ca 0.06 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2enk h SER 55 Cb 0.24 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2enk h SER 55 CO -0.00 0.79 -0.04 0.44 -0.53 0.00 0.00 176.83 177.50 2enk h ASP 56 N 0.08 0.03 -0.31 6.23 5.19 -1.51 -3.29 116.42 122.85 2enk h ASP 56 Ca -0.01 -0.89 0.04 0.00 -0.62 0.00 0.00 57.03 55.54 2enk h ASP 56 Cb 1.23 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.72 2enk h ASP 56 CO 0.10 0.91 0.21 0.58 -3.12 0.00 0.00 179.24 177.92 2enk h VAL 57 N -0.86 0.99 0.65 -1.35 2.07 -1.28 -1.97 116.25 114.49 2enk h VAL 57 Ca -0.01 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2enk h VAL 57 Cb 0.92 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2enk h VAL 57 CO 0.01 0.05 -0.45 -0.08 0.02 0.00 0.00 177.57 177.11 2enk h GLU 58 N 0.26 -1.01 -0.74 1.57 4.81 -1.52 -2.26 114.58 115.69 2enk h GLU 58 Ca 0.13 0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2enk h GLU 58 Cb 0.19 0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 2enk h GLU 58 CO -0.03 -0.67 0.49 0.00 -0.73 0.00 0.00 179.01 178.07 2enk h ALA 59 N -1.17 1.48 -0.20 2.92 0.00 -1.58 -1.21 119.26 119.50 2enk h ALA 59 Ca -0.09 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.83 2enk h ALA 59 Cb 0.86 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2enk h ALA 59 CO 0.05 0.49 0.20 -0.22 0.00 0.00 0.00 179.25 179.76 2enk h LYS 60 N 1.00 0.00 0.00 0.00 1.63 -1.09 0.13 116.57 118.25 2enk h LYS 60 Ca 0.27 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.92 2enk h LYS 60 Cb -0.11 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.49 2enk h LYS 60 CO -0.06 0.00 -0.91 1.03 -3.45 0.00 0.00 179.45 176.06 2enk h SER 61 N 0.00 0.00 0.67 4.20 0.87 -0.63 -3.10 113.55 115.56 2enk h SER 61 Ca 0.10 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.39 2enk h SER 61 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 2enk h SER 61 CO -0.00 0.64 -1.20 -0.07 -0.53 0.00 0.00 176.83 175.67 2enk h LEU 62 N 0.00 0.38 -0.71 2.23 3.38 -0.66 -1.93 115.31 117.99 2enk h LEU 62 Ca -0.07 -0.40 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 2enk h LEU 62 Cb 1.54 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 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 0.07 0.00 0.00 1.13 -0.00 -1.20 -0.80 114.58 113.77 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 0.19 0.37 0.00 0.28 -0.00 0.00 0.00 179.01 179.86 2enk n VAL 64 N -3.41 0.00 0.29 -1.06 0.31 -1.17 -4.43 118.33 108.86 2enk n VAL 64 Ca 0.00 0.36 0.14 0.00 -0.01 0.00 0.00 64.34 64.83 2enk n VAL 64 Cb 0.55 -1.21 0.85 0.00 -0.91 0.00 0.00 33.84 33.12 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 -1.53 -3.46 115.95 118.54 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 2.93 3.39 1.49 0.00 -0.31 -4.93 105.19 106.51 2enk n GLY 66 Ca -0.03 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 0.02 -0.38 0.44 1.61 0.01 -1.21 -4.70 113.70 109.49 2enk s SER 67 Ca 0.00 -0.20 0.30 0.00 1.31 0.00 0.00 55.95 57.36 2enk s SER 67 Cb 0.00 0.54 1.25 0.00 0.21 0.00 0.00 66.02 68.02 2enk s SER 67 CO 0.00 -0.93 1.89 1.55 0.41 0.00 0.00 173.24 176.16 2enk h PRO 68 N 2.19 0.00 -0.04 12.44 0.13 -1.90 -2.87 132.00 141.94 2enk h PRO 68 Ca -0.33 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.61 2enk h PRO 68 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2enk h PRO 68 CO 0.42 0.00 -0.76 0.93 -0.23 0.00 0.00 178.00 178.36 2enk h GLU 69 N 0.00 0.30 -0.50 0.86 5.08 -1.98 -2.11 114.58 116.23 2enk h GLU 69 Ca 0.00 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 2enk h GLU 69 Cb 0.44 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2enk h GLU 69 CO 0.00 0.93 0.10 0.00 -1.00 0.00 0.00 179.01 179.04 2enk h ALA 70 N 0.99 0.66 -0.17 3.43 0.00 -1.86 -2.92 119.26 119.39 2enk h ALA 70 Ca -0.03 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 2enk h ALA 70 Cb 1.34 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2enk h ALA 70 CO 0.12 0.37 -0.69 1.25 0.00 0.00 0.00 179.25 180.30 2enk h LEU 71 N 0.70 0.81 -2.16 0.00 5.85 -1.63 -3.04 115.31 115.84 2enk h LEU 71 Ca 0.15 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.44 2enk h LEU 71 Cb 0.36 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2enk h LEU 71 CO 0.01 1.28 0.25 0.00 -0.34 0.00 0.00 178.44 179.63 2enk h ALA 72 N 0.72 1.91 -0.17 1.25 0.00 -1.27 0.41 119.26 122.11 2enk h ALA 72 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2enk h ALA 72 Cb 1.30 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2enk h ALA 72 CO 0.14 -0.37 0.04 0.00 0.00 0.00 0.00 179.25 179.05 2enk h ARG 73 N 0.00 0.24 0.01 0.00 2.47 -1.39 -1.23 114.38 114.48 2enk h ARG 73 Ca 0.11 -0.03 -0.32 0.00 -1.26 0.00 0.00 59.98 58.49 2enk h ARG 73 Cb 0.61 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.83 2enk h ARG 73 CO -0.00 0.23 -1.93 0.39 0.56 0.00 0.00 179.97 179.22 2enk n GLU 74 N -4.43 0.66 -0.12 0.04 4.71 0.06 -4.11 120.64 117.45 2enk n GLU 74 Ca -0.00 0.21 -0.04 0.00 -0.01 0.00 0.00 57.16 57.32 2enk n GLU 74 Cb 0.14 -1.71 0.17 0.00 -1.01 0.00 0.00 31.44 29.03 2enk n GLU 74 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 2enk h LYS 75 N 0.01 0.82 0.04 3.49 1.57 -1.01 -1.87 116.57 119.62 2enk h LYS 75 Ca -0.37 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2enk h LYS 75 Cb 2.07 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.28 2enk h LYS 75 CO 0.06 0.78 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.48 2enk h LYS 76 N 0.78 -0.06 0.25 3.15 3.64 -1.40 -0.41 116.57 122.53 2enk h LYS 76 Ca 0.16 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2enk h LYS 76 Cb 0.38 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2enk h LYS 76 CO 0.01 -0.00 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.00 2enk h LEU 77 N -0.10 -0.28 -1.33 5.20 3.38 -1.68 0.10 115.31 120.60 2enk h LEU 77 Ca -0.01 -0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.06 2enk h LEU 77 Cb 0.08 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 2enk h LEU 77 CO 0.01 -0.15 0.56 0.03 0.09 0.00 0.00 178.44 178.98 2enk h ARG 78 N -0.40 0.64 0.18 1.13 3.08 -1.29 0.18 114.38 117.91 2enk h ARG 78 Ca -0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2enk h ARG 78 Cb 0.31 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2enk h ARG 78 CO 0.06 0.43 -0.09 -0.22 -1.07 0.00 0.00 179.97 179.07 2enk h LYS 79 N 0.66 -0.24 -0.36 0.04 3.64 -0.71 -3.22 116.57 116.39 2enk h LYS 79 Ca 0.43 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.91 2enk h LYS 79 Cb 0.70 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 2enk h LYS 79 CO -0.18 0.17 0.25 0.93 -2.27 0.00 0.00 179.45 178.35 2enk h GLU 80 N -0.86 0.08 -0.98 1.90 4.39 -0.37 -1.49 114.58 117.25 2enk h GLU 80 Ca -0.03 -0.00 0.16 0.00 0.34 0.00 0.00 59.36 59.83 2enk h GLU 80 Cb 0.52 -0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.05 2enk h GLU 80 CO 0.04 0.05 0.59 0.00 -1.16 0.00 0.00 179.01 178.54 2enk h ALA 81 N 1.82 1.57 0.00 3.43 0.00 -0.66 0.20 119.26 125.62 2enk h ALA 81 Ca 0.17 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 2enk h ALA 81 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2enk h ALA 81 CO -0.01 0.03 -0.76 0.93 0.00 0.00 0.00 179.25 179.44 2enk h GLU 82 N 0.82 0.00 -0.25 0.00 5.08 -1.37 -3.10 114.58 115.76 2enk h GLU 82 Ca 0.54 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.71 2enk h GLU 82 Cb 0.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 2enk h GLU 82 CO -0.34 0.76 -0.58 0.82 -1.00 0.00 0.00 179.01 178.66 2enk h ILE 83 N 0.00 1.28 0.00 3.13 2.04 -0.76 -2.26 117.51 120.94 2enk h ILE 83 Ca -0.01 -1.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.03 2enk h ILE 83 Cb 1.40 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2enk h ILE 83 CO 0.10 0.57 -0.26 -0.33 0.00 0.00 0.00 178.15 178.23 2enk h GLU 84 N 0.60 0.00 0.19 2.37 4.39 -0.77 0.77 114.58 122.14 2enk h GLU 84 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2enk h GLU 84 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2enk h GLU 84 CO 0.13 0.26 -0.09 -0.92 -1.16 0.00 0.00 179.01 177.23 2enk h TYR 85 N 0.00 -0.23 0.00 4.33 3.20 -1.46 -3.30 116.97 119.51 2enk h TYR 85 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 2enk h TYR 85 Cb 0.49 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.83 2enk h TYR 85 CO 0.00 -0.04 -0.09 0.07 -1.64 0.00 0.00 178.16 176.46 2enk h ARG 86 N -1.04 0.00 0.11 1.82 -0.00 -1.41 -3.07 114.38 110.78 2enk h ARG 86 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2enk h ARG 86 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.25 2enk h ARG 86 CO 0.04 0.09 -0.26 0.93 -0.00 0.00 0.00 179.97 180.77 2enk h GLU 87 N 0.00 -0.39 -0.56 0.08 4.39 -0.92 0.79 114.58 117.96 2enk h GLU 87 Ca -0.00 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.82 2enk h GLU 87 Cb 0.19 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2enk h GLU 87 CO 0.01 -0.26 0.38 0.07 -1.16 0.00 0.00 179.01 178.05 2enk h ARG 88 N -0.41 0.37 -0.04 2.33 0.11 -1.62 0.31 114.38 115.42 2enk h ARG 88 Ca -0.01 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 2enk h ARG 88 Cb 0.39 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 2enk h ARG 88 CO -0.12 0.25 -0.25 -0.07 0.10 0.00 0.00 179.97 179.88 2enk h LEU 89 N 0.38 0.07 -0.53 0.08 3.38 -1.26 -2.60 115.31 114.84 2enk h LEU 89 Ca 0.26 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.05 2enk h LEU 89 Cb 0.51 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2enk h LEU 89 CO -0.07 0.32 -0.53 -0.26 0.09 0.00 0.00 178.44 178.00 2enk h PHE 90 N 0.07 0.72 -0.84 1.13 -1.00 0.13 -3.14 116.94 114.01 2enk h PHE 90 Ca 0.01 -0.25 0.10 0.00 2.81 0.00 0.00 57.97 60.64 2enk h PHE 90 Cb 0.48 -0.14 -0.07 0.00 3.61 0.00 0.00 35.95 39.82 2enk h PHE 90 CO 0.00 0.98 0.48 0.00 -1.61 0.00 0.00 178.31 178.16 2enk h ARG 91 N 0.45 0.78 -0.98 1.51 3.08 -1.26 -1.04 114.38 116.92 2enk h ARG 91 Ca 0.01 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.14 2enk h ARG 91 Cb 1.07 -0.18 -0.08 0.00 0.08 0.00 0.00 29.97 30.86 2enk h ARG 91 CO 0.10 0.52 0.62 -0.97 -1.07 0.00 0.00 179.97 179.17 2enk h ASN 92 N 0.81 0.88 -3.41 7.04 -1.24 -1.55 -3.42 115.58 114.68 2enk h ASN 92 Ca 0.40 0.04 -0.45 0.00 0.71 0.00 0.00 56.30 57.01 2enk h ASN 92 Cb 0.37 -0.13 0.14 0.00 0.73 0.00 0.00 38.32 39.42 2enk h ASN 92 CO -0.25 0.47 0.32 -1.10 -1.29 0.00 0.00 177.43 175.58 2enk s GLN 93 N -5.91 1.01 -0.18 6.67 1.11 -0.40 -5.07 119.66 116.90 2enk s GLN 93 Ca -0.12 -0.64 -0.09 0.00 0.01 0.00 0.00 55.36 54.52 2enk s GLN 93 Cb 0.22 -2.01 -0.05 0.00 -1.01 0.00 0.00 33.01 30.16 2enk s GLN 93 CO 0.80 -2.08 0.13 0.15 0.01 0.00 0.00 175.29 174.31 2enk s LYS 94 N -5.64 4.04 -0.15 2.91 1.02 -1.26 -4.97 119.74 115.69 2enk s LYS 94 Ca 0.71 -0.20 0.15 0.00 0.02 0.00 0.00 55.97 56.65 2enk s LYS 94 Cb -0.04 -3.37 -0.21 0.00 -0.52 0.00 0.00 37.83 33.68 2enk s LYS 94 CO 0.50 0.39 0.08 1.51 -0.92 0.00 0.00 175.35 176.91 2enk n ILE 95 N 3.21 1.06 -3.10 2.17 3.06 -1.26 -4.96 119.36 119.55 2enk n ILE 95 Ca -0.17 -0.68 0.05 0.00 -2.50 0.00 0.00 62.75 59.45 2enk n ILE 95 Cb 0.53 -0.52 0.00 0.00 0.54 0.00 0.00 39.64 40.19 2enk n ILE 95 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2enk s LEU 96 N -5.15 -0.36 -0.30 9.51 0.20 -1.26 -5.15 118.68 116.17 2enk s LEU 96 Ca -0.08 0.01 -0.15 0.00 0.69 0.00 0.00 54.13 54.60 2enk s LEU 96 Cb 0.05 1.13 0.16 0.00 -0.43 0.00 0.00 46.19 47.10 2enk s LEU 96 CO 0.68 -0.06 0.99 -0.13 -0.29 0.00 0.00 176.35 177.54 2enk s ARG 97 N 2.84 0.30 0.37 1.98 1.81 -1.26 -5.18 118.95 119.80 2enk s ARG 97 Ca 0.27 0.72 0.04 0.00 -1.72 0.00 0.00 55.73 55.04 2enk s ARG 97 Cb -0.01 0.40 -0.06 0.00 -0.45 0.00 0.00 34.95 34.83 2enk s ARG 97 CO -0.22 -0.10 0.05 -1.21 -0.68 0.00 0.00 175.30 173.15 2enk s GLU 98 N 2.32 1.79 0.52 3.54 2.02 -1.26 -5.12 118.70 122.51 2enk s GLU 98 Ca -0.03 -2.02 -0.16 0.00 0.02 0.00 0.00 54.97 52.78 2enk s GLU 98 Cb -0.06 -1.03 -0.07 0.00 0.10 0.00 0.00 34.13 33.07 2enk s GLU 98 CO -0.17 -0.21 0.98 1.52 0.02 0.00 0.00 175.26 177.40 2enk s TYR 99 N -3.14 3.47 0.55 1.61 -0.85 -1.26 -5.07 117.35 112.66 2enk s TYR 99 Ca 0.32 1.44 -0.02 0.00 -0.52 0.00 0.00 57.07 58.29 2enk s TYR 99 Cb 0.08 -2.77 0.02 0.00 0.38 0.00 0.00 41.96 39.66 2enk s TYR 99 CO 0.15 -0.39 0.81 -0.98 -1.52 0.00 0.00 175.55 173.63 2enk s ARG 100 N -4.16 2.75 0.00 -3.49 1.70 -1.26 -5.36 118.95 109.14 2enk s ARG 100 Ca 0.58 -0.40 0.00 0.00 -0.47 0.00 0.00 55.73 55.44 2enk s ARG 100 Cb -0.10 -2.40 0.00 0.00 -0.57 0.00 0.00 34.95 31.88 2enk s ARG 100 CO 0.33 -0.65 0.40 -3.47 -1.08 0.00 0.00 175.30 170.83