#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 -1.42 -0.43 1.61 1.04 -1.26 -5.07 113.70 108.17 2enk s SER 2 Ca 0.00 0.77 0.10 0.00 0.48 0.00 0.00 55.95 57.29 2enk s SER 2 Cb 0.00 2.14 0.33 0.00 0.10 0.00 0.00 66.02 68.59 2enk s SER 2 CO 0.00 -0.26 0.75 -1.20 0.98 0.00 0.00 173.24 173.50 2enk n SER 3 N 5.43 1.67 0.00 7.02 7.64 -1.26 -5.08 113.62 129.04 2enk n SER 3 Ca -0.00 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.75 2enk n SER 3 Cb 0.52 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2enk n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2enk n GLY 4 N 0.37 4.18 3.38 0.23 0.00 -1.26 -5.15 105.19 106.94 2enk n GLY 4 Ca 0.26 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.68 2enk n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2enk n SER 5 N 0.00 -6.06 -2.67 1.61 2.88 -1.26 -4.99 113.62 103.13 2enk n SER 5 Ca 0.00 0.77 -0.03 0.00 -1.33 0.00 0.00 58.87 58.28 2enk n SER 5 Cb 0.00 -2.23 -0.03 0.00 -0.75 0.00 0.00 64.21 61.20 2enk n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2enk n SER 6 N -3.91 -3.44 0.00 -3.46 7.64 -1.26 -4.97 113.62 104.22 2enk n SER 6 Ca 0.00 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.25 2enk n SER 6 Cb 0.33 -5.15 0.00 0.00 -1.01 0.00 0.00 64.21 58.38 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 1.37 -1.12 3.75 0.23 0.00 -1.26 -5.14 105.19 103.02 2enk n GLY 7 Ca -0.26 0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2enk n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2enk s LYS 8 N 0.00 4.76 1.20 1.61 -0.14 -1.26 -4.87 119.74 121.04 2enk s LYS 8 Ca 0.00 1.60 0.00 0.00 -1.36 0.00 0.00 55.97 56.21 2enk s LYS 8 Cb 0.00 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.89 2enk s LYS 8 CO 0.00 0.38 0.00 0.66 -0.76 0.00 0.00 175.35 175.63 2enk n TYR 9 N 1.52 -1.96 -1.68 3.18 4.01 -1.26 -4.76 117.16 116.21 2enk n TYR 9 Ca -0.01 0.23 -0.31 0.00 -0.16 0.00 0.00 57.90 57.64 2enk n TYR 9 Cb 0.46 -0.24 0.04 0.00 -0.31 0.00 0.00 39.34 39.29 2enk n TYR 9 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2enk s THR 10 N -0.33 4.10 0.52 -0.72 -1.32 -1.26 -5.08 115.64 111.55 2enk s THR 10 Ca 0.00 0.72 0.09 0.00 -1.21 0.00 0.00 61.69 61.29 2enk s THR 10 Cb 0.00 -3.46 0.06 0.00 -1.51 0.00 0.00 72.50 67.59 2enk s THR 10 CO 0.00 -0.85 0.69 -1.10 -2.21 0.00 0.00 174.62 171.15 2enk s GLN 11 N -4.93 2.47 0.52 7.08 1.11 -1.26 -4.99 119.66 119.66 2enk s GLN 11 Ca 0.58 -1.54 0.05 0.00 0.01 0.00 0.00 55.36 54.46 2enk s GLN 11 Cb -0.14 -2.64 0.05 0.00 -1.01 0.00 0.00 33.01 29.27 2enk s GLN 11 CO 0.52 -0.64 0.40 0.09 0.01 0.00 0.00 175.29 175.66 2enk n ASN 12 N -2.07 2.64 -2.36 5.90 5.03 -1.26 -5.04 115.26 118.11 2enk n ASN 12 Ca 0.12 -2.77 -0.34 0.00 0.87 0.00 0.00 54.58 52.45 2enk n ASN 12 Cb 0.61 -0.05 0.07 0.00 -1.02 0.00 0.00 39.78 39.39 2enk n ASN 12 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2enk n ASN 13 N -1.85 7.29 -4.16 6.41 4.13 -1.26 -4.95 115.26 120.86 2enk n ASN 13 Ca -0.02 -3.79 -0.22 0.00 1.68 0.00 0.00 54.58 52.24 2enk n ASN 13 Cb 0.59 -0.90 -0.14 0.00 -1.54 0.00 0.00 39.78 37.79 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 -3.82 1.37 0.01 3.10 0.40 -1.26 -3.18 117.98 114.60 2enk s PHE 14 Ca 0.61 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.62 2enk s PHE 14 Cb 0.49 -0.83 -0.01 0.00 0.51 0.00 0.00 43.02 43.18 2enk s PHE 14 CO -0.05 0.04 -0.03 -1.50 0.70 0.00 0.00 175.22 174.37 2enk s ILE 15 N -0.73 0.20 1.00 0.64 2.07 -0.13 -4.87 121.20 119.38 2enk s ILE 15 Ca 0.04 -0.45 -0.12 0.00 -1.41 0.00 0.00 60.65 58.71 2enk s ILE 15 Cb -0.08 -0.24 0.19 0.00 0.13 0.00 0.00 42.46 42.46 2enk s ILE 15 CO 0.01 -0.16 1.08 -0.89 -1.91 0.00 0.00 174.94 173.07 2enk s THR 16 N -0.61 2.29 -0.01 4.00 2.01 -1.26 -1.91 115.64 120.15 2enk s THR 16 Ca -0.05 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 2enk s THR 16 Cb -0.05 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 2enk s THR 16 CO -0.00 -0.12 0.48 1.23 -0.69 0.00 0.00 174.62 175.52 2enk h GLY 17 N -1.99 -0.17 0.67 4.40 0.00 -1.96 -2.78 103.07 101.24 2enk h GLY 17 Ca -0.53 0.06 0.18 0.00 0.00 0.00 0.00 47.33 47.05 2enk h GLY 17 CO 0.51 -0.06 0.49 -0.24 0.00 0.00 0.00 176.54 177.24 2enk h VAL 18 N -0.33 0.59 -0.48 4.60 3.04 -1.98 0.13 116.25 121.83 2enk h VAL 18 Ca -0.02 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.56 2enk h VAL 18 Cb 0.12 0.65 -0.02 0.00 -2.01 0.00 0.00 31.29 30.04 2enk h VAL 18 CO 0.03 0.00 -0.17 0.03 -1.01 0.00 0.00 177.57 176.45 2enk h ARG 19 N 0.00 0.93 0.00 4.17 2.47 -1.95 -2.25 114.38 117.75 2enk h ARG 19 Ca 0.30 -0.36 -0.18 0.00 -1.26 0.00 0.00 59.98 58.47 2enk h ARG 19 Cb 1.27 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 29.52 2enk h ARG 19 CO -0.00 1.02 -0.86 0.00 0.56 0.00 0.00 179.97 180.68 2enk h ALA 20 N 0.99 0.57 0.00 0.04 0.00 -0.49 -2.18 119.26 118.19 2enk h ALA 20 Ca 0.12 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 2enk h ALA 20 Cb 0.71 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2enk h ALA 20 CO 0.05 1.00 -0.29 0.82 0.00 0.00 0.00 179.25 180.84 2enk h ILE 21 N 0.03 0.73 0.00 0.00 2.04 -1.11 0.24 117.51 119.45 2enk h ILE 21 Ca -0.02 -1.26 -0.26 0.00 1.00 0.00 0.00 64.86 64.31 2enk h ILE 21 Cb 1.50 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 39.34 2enk h ILE 21 CO 0.12 0.29 -1.67 0.59 0.00 0.00 0.00 178.15 177.48 2enk n ASN 22 N -3.50 0.82 -0.06 1.72 3.02 -0.86 -2.73 115.26 113.66 2enk n ASN 22 Ca -0.00 0.39 -0.03 0.00 -0.03 0.00 0.00 54.58 54.90 2enk n ASN 22 Cb 0.45 0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.27 -3.37 114.58 118.54 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 1.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.16 2enk h GLU 23 CO 0.07 0.00 0.00 0.74 -1.00 0.00 0.00 179.01 178.82 2enk h PHE 24 N -0.97 0.00 -5.59 4.33 -1.00 -0.75 -3.47 116.94 109.48 2enk h PHE 24 Ca 0.00 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 60.49 2enk h PHE 24 Cb 0.34 0.00 0.18 0.00 3.61 0.00 0.00 35.95 40.08 2enk h PHE 24 CO -0.15 0.00 -0.85 0.00 -1.61 0.00 0.00 178.31 175.70 2enk n LEU 26 N -3.51 0.00 -4.97 0.00 4.77 -1.18 -5.03 117.00 107.07 2enk n LEU 26 Ca -0.12 -1.86 -0.22 0.00 -0.03 0.00 0.00 56.01 53.78 2enk n LEU 26 Cb 0.63 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.57 2enk n LEU 26 CO 0.61 -0.58 0.38 -0.54 -1.33 0.00 0.00 177.39 175.92 2enk s LYS 27 N -3.74 2.57 0.15 3.23 3.01 -1.26 -4.90 119.74 118.81 2enk s LYS 27 Ca 0.34 -0.71 -0.11 0.00 -1.01 0.00 0.00 55.97 54.48 2enk s LYS 27 Cb -0.03 -2.47 -0.01 0.00 -1.01 0.00 0.00 37.83 34.31 2enk s LYS 27 CO 0.22 -0.71 1.53 0.77 0.51 0.00 0.00 175.35 177.67 2enk h SER 28 N 0.05 0.99 1.03 2.83 0.02 -2.00 -2.98 113.55 113.49 2enk h SER 28 Ca -0.43 -0.40 -0.11 0.00 -0.84 0.00 0.00 61.79 60.01 2enk h SER 28 Cb 1.29 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2enk h SER 28 CO 0.53 1.17 -0.54 0.28 -1.14 0.00 0.00 176.83 177.14 2enk h SER 29 N 0.81 0.00 0.28 3.07 0.02 -2.00 -3.31 113.55 112.42 2enk h SER 29 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2enk h SER 29 Cb 0.80 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 2enk h SER 29 CO 0.07 0.54 -0.52 0.44 -1.14 0.00 0.00 176.83 176.21 2enk h ASP 30 N 0.00 -1.52 -0.91 3.07 5.19 -1.91 -0.99 116.42 119.35 2enk h ASP 30 Ca -0.01 0.15 0.17 0.00 -0.62 0.00 0.00 57.03 56.72 2enk h ASP 30 Cb 1.20 0.54 -0.07 0.00 0.18 0.00 0.00 39.33 41.17 2enk h ASP 30 CO 0.07 -0.61 0.59 -0.07 -3.12 0.00 0.00 179.24 176.10 2enk h LEU 31 N -0.87 0.58 -1.46 1.55 -0.00 -1.65 0.23 115.31 113.70 2enk h LEU 31 Ca -0.03 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.85 2enk h LEU 31 Cb 0.81 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.40 2enk h LEU 31 CO -0.20 0.26 -0.18 -0.33 -0.00 0.00 0.00 178.44 178.00 2enk h GLU 32 N 0.60 0.13 0.00 1.13 4.39 -1.38 -2.08 114.58 117.37 2enk h GLU 32 Ca 0.47 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.11 2enk h GLU 32 Cb 0.91 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2enk h GLU 32 CO -0.22 0.31 -0.17 0.37 -1.16 0.00 0.00 179.01 178.14 2enk h GLN 33 N 0.12 0.00 0.00 2.33 5.75 0.73 -3.44 115.11 120.61 2enk h GLN 33 Ca 0.02 0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.17 2enk h GLN 33 Cb 0.39 0.00 0.16 0.00 1.07 0.00 0.00 27.48 29.11 2enk h GLN 33 CO 0.03 0.17 0.19 1.28 -2.65 0.00 0.00 178.83 177.84 2enk n LEU 34 N -4.09 0.00 -4.85 -2.39 4.77 -0.78 -5.04 117.00 104.63 2enk n LEU 34 Ca -0.02 -1.09 -0.35 0.00 -0.03 0.00 0.00 56.01 54.52 2enk n LEU 34 Cb 0.25 -0.87 -0.06 0.00 -2.33 0.00 0.00 43.42 40.41 2enk n LEU 34 CO 0.34 -1.77 0.23 -0.60 -1.33 0.00 0.00 177.39 174.26 2enk s ARG 35 N -5.26 3.96 -0.49 3.23 3.52 -1.26 -5.05 118.95 117.60 2enk s ARG 35 Ca 0.62 0.46 -0.20 0.00 -0.13 0.00 0.00 55.73 56.49 2enk s ARG 35 Cb -0.05 -2.91 0.05 0.00 -1.56 0.00 0.00 34.95 30.48 2enk s ARG 35 CO 0.46 0.47 0.65 0.15 -0.81 0.00 0.00 175.30 176.22 2enk s LYS 36 N -2.02 3.18 -0.58 5.12 -0.14 -1.26 -4.82 119.74 119.23 2enk s LYS 36 Ca 0.38 -0.69 -0.17 0.00 -1.36 0.00 0.00 55.97 54.13 2enk s LYS 36 Cb -0.15 -4.05 0.12 0.00 -1.68 0.00 0.00 37.83 32.08 2enk s LYS 36 CO 0.19 -1.17 0.60 0.42 -0.76 0.00 0.00 175.35 174.62 2enk s ILE 37 N 2.79 5.07 0.24 2.17 1.09 -1.10 -4.97 121.20 126.49 2enk s ILE 37 Ca 0.18 -1.35 -0.30 0.00 -1.10 0.00 0.00 60.65 58.09 2enk s ILE 37 Cb -0.17 -4.41 -0.09 0.00 -1.06 0.00 0.00 42.46 36.73 2enk s ILE 37 CO 0.15 -0.98 0.95 0.00 -0.10 0.00 0.00 174.94 174.96 2enk s ARG 38 N 1.97 4.84 -0.16 2.79 1.70 -1.26 -2.35 118.95 126.47 2enk s ARG 38 Ca 0.07 1.52 -0.11 0.00 -0.47 0.00 0.00 55.73 56.74 2enk s ARG 38 Cb -0.27 -3.27 -0.07 0.00 -0.57 0.00 0.00 34.95 30.77 2enk s ARG 38 CO 0.04 0.49 -0.25 0.54 -1.08 0.00 0.00 175.30 175.04 2enk n ARG 39 N 1.48 0.40 -2.73 3.89 5.12 -1.26 -4.99 116.66 118.56 2enk n ARG 39 Ca -0.02 0.17 -0.40 0.00 -1.93 0.00 0.00 57.85 55.67 2enk n ARG 39 Cb 0.47 -1.18 -0.06 0.00 -1.16 0.00 0.00 32.46 30.53 2enk n ARG 39 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2enk s ARG 40 N -2.44 4.83 0.59 5.56 3.52 -1.26 -5.05 118.95 124.70 2enk s ARG 40 Ca -0.25 1.50 -0.09 0.00 -0.13 0.00 0.00 55.73 56.75 2enk s ARG 40 Cb 0.08 -3.29 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 2enk s ARG 40 CO 0.33 0.47 0.97 -1.12 -0.81 0.00 0.00 175.30 175.14 2enk s SER 41 N -1.01 6.15 0.09 -2.12 0.01 -1.26 -5.00 113.70 110.56 2enk s SER 41 Ca 0.42 1.25 -0.31 0.00 1.31 0.00 0.00 55.95 58.62 2enk s SER 41 Cb -0.26 -2.34 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 2enk s SER 41 CO 0.32 -0.85 1.38 -2.16 0.41 0.00 0.00 173.24 172.34 2enk s PRO 42 N -5.09 4.32 -0.06 12.44 0.04 -1.26 -4.93 135.00 140.47 2enk s PRO 42 Ca 0.53 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.67 2enk s PRO 42 Cb -0.11 -3.32 -0.24 0.00 0.04 0.00 0.00 34.50 30.87 2enk s PRO 42 CO 0.51 -0.45 0.61 1.25 0.04 0.00 0.00 177.00 178.96 2enk h HIS 43 N 7.01 0.16 0.00 0.56 2.76 -1.95 -3.43 115.15 120.25 2enk h HIS 43 Ca -0.41 -0.11 -0.22 0.00 -2.20 0.00 0.00 60.37 57.42 2enk h HIS 43 Cb 1.20 -0.01 -0.15 0.00 1.55 0.00 0.00 27.41 30.01 2enk h HIS 43 CO 0.68 1.24 -0.37 -0.85 -1.30 0.00 0.00 177.93 177.33 2enk n GLU 44 N -3.19 1.09 -3.70 5.26 0.28 -1.26 -4.97 120.64 114.15 2enk n GLU 44 Ca -0.20 -1.82 -0.26 0.00 -0.16 0.00 0.00 57.16 54.71 2enk n GLU 44 Cb 1.05 -0.43 0.06 0.00 1.43 0.00 0.00 31.44 33.55 2enk n GLU 44 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2enk n ASP 45 N -0.21 -5.89 -4.11 -1.84 8.00 -1.26 -4.98 116.55 106.27 2enk n ASP 45 Ca -0.00 -0.62 -0.33 0.00 0.71 0.00 0.00 54.79 54.55 2enk n ASP 45 Cb 0.79 -4.67 -0.15 0.00 -0.02 0.00 0.00 41.12 37.06 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 -3.31 2.23 0.60 -3.53 -4.23 -1.26 -5.11 115.64 101.02 2enk s THR 46 Ca 0.61 -1.22 -0.18 0.00 -1.18 0.00 0.00 61.69 59.73 2enk s THR 46 Cb -0.28 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.42 2enk s THR 46 CO 0.76 0.27 1.15 -1.83 -0.54 0.00 0.00 174.62 174.44 2enk s GLU 47 N 1.22 3.00 0.38 3.99 -1.05 -1.26 -4.66 118.70 120.32 2enk s GLU 47 Ca -0.01 1.62 0.06 0.00 -0.15 0.00 0.00 54.97 56.49 2enk s GLU 47 Cb -0.16 -1.96 -0.02 0.00 -0.44 0.00 0.00 34.13 31.55 2enk s GLU 47 CO -0.09 -1.13 0.21 0.43 0.95 0.00 0.00 175.26 175.63 2enk n SER 48 N -1.79 0.34 -4.75 0.83 7.64 -1.26 -5.13 113.62 109.50 2enk n SER 48 Ca 0.12 -3.22 -0.41 0.00 1.01 0.00 0.00 58.87 56.37 2enk n SER 48 Cb 0.51 1.35 -0.03 0.00 -1.01 0.00 0.00 64.21 65.02 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 -3.23 3.25 0.38 1.43 5.36 -1.26 -5.03 117.98 118.87 2enk s PHE 49 Ca 0.30 1.30 0.07 0.00 -0.96 0.00 0.00 56.93 57.65 2enk s PHE 49 Cb 0.01 -3.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.10 2enk s PHE 49 CO 0.21 -1.75 0.47 -0.08 -1.46 0.00 0.00 175.22 172.61 2enk s THR 50 N -0.25 3.36 0.37 0.12 -1.32 -1.26 -4.81 115.64 111.85 2enk s THR 50 Ca 0.54 -1.10 0.08 0.00 -1.21 0.00 0.00 61.69 60.01 2enk s THR 50 Cb -0.37 -3.15 -0.07 0.00 -1.51 0.00 0.00 72.50 67.40 2enk s THR 50 CO 0.41 -0.07 -0.01 0.68 -2.21 0.00 0.00 174.62 173.42 2enk s VAL 51 N -2.31 2.27 0.23 5.08 -7.23 -0.99 -4.66 120.40 112.80 2enk s VAL 51 Ca 0.49 -2.04 0.11 0.00 -1.81 0.00 0.00 61.98 58.72 2enk s VAL 51 Cb -0.08 -2.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 2enk s VAL 51 CO 0.31 -0.13 -0.20 -0.31 -0.31 0.00 0.00 175.10 174.46 2enk s TYR 52 N -2.61 2.16 -0.09 2.82 2.02 -0.80 -2.73 117.35 118.12 2enk s TYR 52 Ca 0.35 -0.38 -0.19 0.00 -0.37 0.00 0.00 57.07 56.47 2enk s TYR 52 Cb 0.04 -1.00 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 2enk s TYR 52 CO 0.18 0.56 0.52 -0.51 -1.57 0.00 0.00 175.55 174.73 2enk s LEU 53 N -3.12 4.31 0.46 -1.29 1.02 -1.26 -0.96 118.68 117.84 2enk s LEU 53 Ca 0.24 0.92 0.14 0.00 0.02 0.00 0.00 54.13 55.45 2enk s LEU 53 Cb -0.05 -2.77 1.08 0.00 0.02 0.00 0.00 46.19 44.47 2enk s LEU 53 CO 0.11 0.02 2.03 -0.09 0.02 0.00 0.00 176.35 178.44 2enk h ARG 54 N 6.48 0.31 -0.30 1.70 2.43 -1.88 0.07 114.38 123.19 2enk h ARG 54 Ca -0.42 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.60 2enk h ARG 54 Cb 1.19 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2enk h ARG 54 CO 0.74 0.20 -0.32 1.03 -1.51 0.00 0.00 179.97 180.12 2enk h SER 55 N 0.31 0.79 0.31 -3.80 0.87 -1.93 -0.86 113.55 109.24 2enk h SER 55 Ca 0.20 -0.48 -0.13 0.00 -1.23 0.00 0.00 61.79 60.15 2enk h SER 55 Cb 0.37 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 2enk h SER 55 CO -0.04 1.11 -0.51 0.44 -0.53 0.00 0.00 176.83 177.29 2enk h ASP 56 N 0.49 0.25 0.66 6.23 3.32 -1.72 -3.03 116.42 122.62 2enk h ASP 56 Ca 0.04 -0.13 -0.18 0.00 0.02 0.00 0.00 57.03 56.79 2enk h ASP 56 Cb 0.89 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 2enk h ASP 56 CO 0.08 0.72 -0.83 0.58 -1.72 0.00 0.00 179.24 178.07 2enk h VAL 57 N 0.18 1.52 -0.98 -1.35 2.07 -0.95 -2.93 116.25 113.81 2enk h VAL 57 Ca 0.01 -2.64 0.13 0.00 0.82 0.00 0.00 66.70 65.02 2enk h VAL 57 Cb 0.97 2.45 -0.08 0.00 -1.52 0.00 0.00 31.29 33.10 2enk h VAL 57 CO 0.08 0.76 0.62 -0.08 0.02 0.00 0.00 177.57 178.97 2enk h GLU 58 N 0.07 0.90 0.07 1.57 4.81 -1.02 -1.35 114.58 119.63 2enk h GLU 58 Ca -0.03 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 58.89 2enk h GLU 58 Cb 1.45 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2enk h GLU 58 CO 0.12 0.59 -1.24 0.00 -0.73 0.00 0.00 179.01 177.75 2enk h ALA 59 N 1.56 0.26 -0.31 2.92 0.00 -1.62 -3.27 119.26 118.79 2enk h ALA 59 Ca 0.49 -0.97 0.09 0.00 0.00 0.00 0.00 54.91 54.52 2enk h ALA 59 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2enk h ALA 59 CO -0.26 1.14 0.31 -0.22 0.00 0.00 0.00 179.25 180.22 2enk h LYS 60 N 0.04 0.00 0.00 0.00 3.11 -1.06 0.33 116.57 118.99 2enk h LYS 60 Ca -0.12 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.57 2enk h LYS 60 Cb 1.91 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.12 2enk h LYS 60 CO 0.16 0.00 -0.83 0.66 -2.81 0.00 0.00 179.45 176.64 2enk h SER 61 N 0.00 0.00 0.60 4.20 4.64 -1.52 -3.02 113.55 118.44 2enk h SER 61 Ca 0.15 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.19 2enk h SER 61 Cb 0.76 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 2enk h SER 61 CO -0.00 0.64 -1.50 -0.07 -0.87 0.00 0.00 176.83 175.03 2enk h LEU 62 N 0.00 0.11 -0.70 5.97 3.38 -0.64 -2.63 115.31 120.80 2enk h LEU 62 Ca -0.05 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 2enk h LEU 62 Cb 1.53 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.23 2enk h LEU 62 CO 0.08 1.15 -0.36 1.05 0.09 0.00 0.00 178.44 180.44 2enk h GLU 63 N 0.02 0.00 0.00 1.13 -0.00 -0.66 -1.13 114.58 113.94 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 0.36 0.00 0.28 -0.00 0.00 0.00 179.01 179.76 2enk n VAL 64 N -3.39 0.00 0.29 -1.06 0.31 -1.14 -4.48 118.33 108.86 2enk n VAL 64 Ca 0.01 0.34 0.14 0.00 -0.01 0.00 0.00 64.34 64.81 2enk n VAL 64 Cb 0.55 -1.21 0.87 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 -1.65 -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 0.01 0.00 0.41 -3.56 0.00 0.00 178.44 175.30 2enk n GLY 66 N -1.30 3.12 3.27 1.49 0.00 -0.43 -4.93 105.19 106.41 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 -0.04 0.46 1.61 1.04 -1.23 -4.66 113.70 110.87 2enk s SER 67 Ca 0.00 -0.53 0.31 0.00 0.48 0.00 0.00 55.95 56.21 2enk s SER 67 Cb 0.00 0.41 1.28 0.00 0.10 0.00 0.00 66.02 67.81 2enk s SER 67 CO 0.00 -0.80 1.91 1.55 0.98 0.00 0.00 173.24 176.87 2enk h PRO 68 N 2.56 0.00 -0.10 4.02 0.13 -1.91 -2.92 132.00 133.78 2enk h PRO 68 Ca -0.34 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.61 2enk h PRO 68 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 2enk h PRO 68 CO 0.51 0.00 -0.72 0.93 -0.23 0.00 0.00 178.00 178.49 2enk h GLU 69 N 0.00 0.48 -0.48 0.86 3.07 -1.97 -1.94 114.58 114.59 2enk h GLU 69 Ca 0.00 -0.38 -0.04 0.00 -0.50 0.00 0.00 59.36 58.43 2enk h GLU 69 Cb 0.44 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 2enk h GLU 69 CO 0.00 1.01 0.12 0.00 -1.40 0.00 0.00 179.01 178.74 2enk h ALA 70 N 0.88 1.30 0.16 3.43 0.00 -1.87 -2.75 119.26 120.41 2enk h ALA 70 Ca -0.03 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 2enk h ALA 70 Cb 1.30 -0.20 0.03 0.00 0.00 0.00 0.00 17.79 18.92 2enk h ALA 70 CO 0.13 0.49 -1.31 1.25 0.00 0.00 0.00 179.25 179.81 2enk h LEU 71 N 0.71 0.77 -2.22 0.00 5.85 -1.63 -3.23 115.31 115.56 2enk h LEU 71 Ca 0.16 -0.76 0.05 0.00 0.84 0.00 0.00 57.88 58.17 2enk h LEU 71 Cb 0.26 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2enk h LEU 71 CO -0.00 1.58 0.18 0.00 -0.34 0.00 0.00 178.44 179.86 2enk h ALA 72 N 0.32 1.84 -0.86 1.25 0.00 -1.14 -1.24 119.26 119.42 2enk h ALA 72 Ca -0.20 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.86 2enk h ALA 72 Cb 1.99 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.73 2enk h ALA 72 CO 0.24 -0.27 0.56 0.00 0.00 0.00 0.00 179.25 179.78 2enk h ARG 73 N 0.00 0.59 0.00 0.00 2.47 -1.51 0.25 114.38 116.18 2enk h ARG 73 Ca 0.08 -0.04 -0.23 0.00 -1.26 0.00 0.00 59.98 58.54 2enk h ARG 73 Cb 0.45 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 2enk h ARG 73 CO -0.00 0.39 -1.72 0.39 0.56 0.00 0.00 179.97 179.59 2enk n GLU 74 N -4.54 0.64 -0.07 0.04 -0.58 -0.50 -4.17 120.64 111.45 2enk n GLU 74 Ca 0.17 0.17 -0.09 0.00 -0.42 0.00 0.00 57.16 56.98 2enk n GLU 74 Cb 0.50 -1.73 0.06 0.00 -0.57 0.00 0.00 31.44 29.70 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 0.00 0.76 -0.63 3.49 1.57 -0.88 -2.96 116.57 117.92 2enk h LYS 75 Ca -0.26 -0.37 0.07 0.00 -1.87 0.00 0.00 60.65 58.22 2enk h LYS 75 Cb 1.78 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.05 2enk h LYS 75 CO 0.05 0.99 0.42 -0.22 -0.57 0.00 0.00 179.45 180.11 2enk h LYS 76 N 0.63 0.57 0.29 3.15 3.64 -0.72 0.74 116.57 124.87 2enk h LYS 76 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2enk h LYS 76 Cb 0.89 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2enk h LYS 76 CO 0.08 0.38 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.42 2enk h LEU 77 N 0.59 -0.36 -2.31 5.20 -0.00 -1.70 0.19 115.31 116.92 2enk h LEU 77 Ca 0.27 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.17 2enk h LEU 77 Cb 0.32 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2enk h LEU 77 CO -0.08 -0.25 -0.01 0.08 -0.00 0.00 0.00 178.44 178.18 2enk h ARG 78 N -0.40 0.00 0.53 1.13 0.11 -1.59 -1.43 114.38 112.73 2enk h ARG 78 Ca -0.04 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 2enk h ARG 78 Cb 0.31 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.40 2enk h ARG 78 CO 0.06 0.01 -0.26 -0.22 0.10 0.00 0.00 179.97 179.66 2enk h LYS 79 N 0.00 -0.69 -0.09 0.08 3.64 -0.63 -3.12 116.57 115.77 2enk h LYS 79 Ca -0.00 0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2enk h LYS 79 Cb 0.02 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2enk h LYS 79 CO 0.00 -0.46 0.07 0.93 -2.27 0.00 0.00 179.45 177.72 2enk h GLU 80 N -1.12 0.00 -0.00 1.90 4.39 -0.45 -2.48 114.58 116.82 2enk h GLU 80 Ca -0.07 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2enk h GLU 80 Cb 0.55 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.17 2enk h GLU 80 CO 0.12 0.00 -0.15 0.00 -1.16 0.00 0.00 179.01 177.82 2enk h ALA 81 N 1.94 -0.18 -0.12 3.43 0.00 -1.25 0.15 119.26 123.23 2enk h ALA 81 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2enk h ALA 81 Cb 0.19 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2enk h ALA 81 CO -0.00 -0.65 -0.10 0.93 0.00 0.00 0.00 179.25 179.43 2enk h GLU 82 N -0.25 0.18 -0.30 0.00 5.08 -1.38 -2.55 114.58 115.34 2enk h GLU 82 Ca 0.05 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 2enk h GLU 82 Cb 0.32 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2enk h GLU 82 CO -0.15 0.29 -0.46 0.82 -1.00 0.00 0.00 179.01 178.51 2enk h ILE 83 N 0.17 1.28 0.00 3.13 2.04 -1.19 -1.86 117.51 121.09 2enk h ILE 83 Ca 0.04 -1.64 -0.03 0.00 1.00 0.00 0.00 64.86 64.22 2enk h ILE 83 Cb 0.30 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2enk h ILE 83 CO 0.02 0.53 -0.16 -0.33 0.00 0.00 0.00 178.15 178.21 2enk h GLU 84 N 0.61 0.00 0.00 2.37 4.39 -0.34 0.23 114.58 121.84 2enk h GLU 84 Ca 0.03 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2enk h GLU 84 Cb 1.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 2enk h GLU 84 CO 0.11 0.16 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.17 2enk h TYR 85 N 0.00 0.00 -0.01 4.33 3.20 -1.32 -3.33 116.97 119.84 2enk h TYR 85 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2enk h TYR 85 Cb 0.37 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 2enk h TYR 85 CO 0.00 0.10 0.01 0.07 -1.64 0.00 0.00 178.16 176.70 2enk h ARG 86 N -1.00 0.00 0.20 1.82 -0.00 -1.34 -2.94 114.38 111.12 2enk h ARG 86 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 2enk h ARG 86 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.09 2enk h ARG 86 CO -0.00 0.00 -0.19 0.93 -0.00 0.00 0.00 179.97 180.71 2enk h GLU 87 N 0.00 -0.37 -0.83 0.08 4.39 -1.06 0.11 114.58 116.90 2enk h GLU 87 Ca 0.01 0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.87 2enk h GLU 87 Cb 0.03 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 2enk h GLU 87 CO -0.00 -0.24 0.54 0.07 -1.16 0.00 0.00 179.01 178.22 2enk h ARG 88 N -0.38 0.59 -0.81 2.33 0.11 -1.63 -0.21 114.38 114.38 2enk h ARG 88 Ca -0.02 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 2enk h ARG 88 Cb 0.33 -0.13 -0.04 0.00 1.11 0.00 0.00 29.97 31.24 2enk h ARG 88 CO -0.02 0.39 0.43 -0.07 0.10 0.00 0.00 179.97 180.81 2enk h LEU 89 N 0.61 1.00 -1.03 0.08 3.38 -1.29 -0.23 115.31 117.83 2enk h LEU 89 Ca 0.41 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.30 2enk h LEU 89 Cb 0.72 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2enk h LEU 89 CO -0.17 0.81 0.66 -0.26 0.09 0.00 0.00 178.44 179.57 2enk h PHE 90 N 1.13 1.25 0.01 1.13 0.04 0.91 -2.48 116.94 118.93 2enk h PHE 90 Ca 0.28 0.03 -0.22 0.00 2.80 0.00 0.00 57.97 60.86 2enk h PHE 90 Cb 0.04 -0.42 0.00 0.00 2.20 0.00 0.00 35.95 37.76 2enk h PHE 90 CO 0.01 0.78 -0.95 0.00 -0.60 0.00 0.00 178.31 177.55 2enk h ARG 91 N 1.34 0.37 -2.88 1.51 3.08 -1.30 -3.34 114.38 113.17 2enk h ARG 91 Ca 0.36 -0.41 -0.73 0.00 0.07 0.00 0.00 59.98 59.27 2enk h ARG 91 Cb -0.15 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 29.92 2enk h ARG 91 CO -0.08 1.09 2.66 0.09 -1.07 0.00 0.00 179.97 182.66 2enk n ASN 92 N -3.72 7.57 -3.14 7.04 4.13 -0.14 -4.66 115.26 122.34 2enk n ASN 92 Ca -0.06 -3.02 -0.23 0.00 1.68 0.00 0.00 54.58 52.95 2enk n ASN 92 Cb 0.84 -1.43 -0.05 0.00 -1.54 0.00 0.00 39.78 37.61 2enk n ASN 92 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2enk n GLN 93 N 2.58 1.94 -1.28 3.52 7.27 -1.24 -4.88 117.38 125.29 2enk n GLN 93 Ca 0.62 -4.06 0.16 0.00 0.07 0.00 0.00 57.00 53.79 2enk n GLN 93 Cb 0.27 -1.90 -0.06 0.00 2.41 0.00 0.00 30.24 30.96 2enk n GLN 93 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2enk n LYS 94 N 0.36 -2.78 0.25 3.69 4.01 -1.26 -4.22 118.16 118.20 2enk n LYS 94 Ca 0.27 2.10 0.09 0.00 -0.51 0.00 0.00 58.31 60.26 2enk n LYS 94 Cb 0.51 -3.31 0.65 0.00 -0.51 0.00 0.00 35.03 32.37 2enk n LYS 94 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 2enk h ILE 95 N -1.23 0.85 -3.33 -0.18 2.10 -1.99 -3.48 117.51 110.25 2enk h ILE 95 Ca -0.08 -0.44 0.38 0.00 1.08 0.00 0.00 64.86 65.80 2enk h ILE 95 Cb 1.20 1.25 -0.13 0.00 -1.09 0.00 0.00 36.82 38.05 2enk h ILE 95 CO 0.04 0.11 -0.79 -0.11 -1.08 0.00 0.00 178.15 176.33 2enk n LEU 96 N -4.06 -0.83 -4.44 2.19 7.94 -1.26 -4.63 117.00 111.91 2enk n LEU 96 Ca -0.02 1.87 -0.44 0.00 -1.11 0.00 0.00 56.01 56.31 2enk n LEU 96 Cb 0.20 -4.59 -0.07 0.00 0.53 0.00 0.00 43.42 39.49 2enk n LEU 96 CO 0.33 -3.32 0.23 -0.60 -1.11 0.00 0.00 177.39 172.92 2enk s ARG 97 N -2.94 3.09 -0.37 1.96 6.06 -1.26 -4.92 118.95 120.57 2enk s ARG 97 Ca 0.00 -0.95 0.13 0.00 -2.50 0.00 0.00 55.73 52.41 2enk s ARG 97 Cb 0.00 -4.08 0.41 0.00 0.06 0.00 0.00 34.95 31.35 2enk s ARG 97 CO 0.00 -1.11 0.91 0.39 -2.50 0.00 0.00 175.30 172.99 2enk n GLU 98 N 5.87 1.61 -2.97 5.12 -0.58 -1.26 -4.94 120.64 123.48 2enk n GLU 98 Ca -0.08 -3.61 -0.16 0.00 -0.42 0.00 0.00 57.16 52.90 2enk n GLU 98 Cb 0.45 -1.60 -0.01 0.00 -0.57 0.00 0.00 31.44 29.71 2enk n GLU 98 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2enk n TYR 99 N -0.05 -2.01 -1.47 -0.32 4.02 -1.26 -5.13 117.16 110.94 2enk n TYR 99 Ca 0.20 -2.57 0.20 0.00 -0.01 0.00 0.00 57.90 55.72 2enk n TYR 99 Cb 0.72 0.69 -0.06 0.00 -0.02 0.00 0.00 39.34 40.67 2enk n TYR 99 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2enk n ARG 100 N 1.73 -3.03 0.00 -0.72 1.74 -1.26 -5.32 116.66 109.80 2enk n ARG 100 Ca 0.16 2.08 0.03 0.00 -0.77 0.00 0.00 57.85 59.35 2enk n ARG 100 Cb 0.57 -3.66 0.19 0.00 -1.02 0.00 0.00 32.46 28.54 2enk n ARG 100 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86