#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ak4 s GLN 2 N 0.00 3.07 -0.10 0.38 -0.21 -1.26 -4.79 119.66 116.75 2ak4 s GLN 2 Ca 0.00 -0.82 -0.00 0.00 0.02 0.00 0.00 55.36 54.56 2ak4 s GLN 2 Cb 0.00 -2.52 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 2ak4 s GLN 2 CO 0.00 -0.04 -0.09 1.03 -2.12 0.00 0.00 175.29 174.07 2ak4 s ARG 3 N 0.91 3.09 0.18 2.91 0.52 -0.37 -4.94 118.95 121.24 2ak4 s ARG 3 Ca -0.04 -0.59 -0.24 0.00 -0.52 0.00 0.00 55.73 54.33 2ak4 s ARG 3 Cb -0.15 -2.65 -0.08 0.00 0.52 0.00 0.00 34.95 32.59 2ak4 s ARG 3 CO -0.03 0.45 0.77 -0.08 0.02 0.00 0.00 175.30 176.43 2ak4 s THR 4 N -0.25 4.40 0.29 0.02 -1.32 -1.26 -1.78 115.64 115.74 2ak4 s THR 4 Ca 0.03 1.63 -0.29 0.00 -1.21 0.00 0.00 61.69 61.85 2ak4 s THR 4 Cb -0.13 -4.08 -0.10 0.00 -1.51 0.00 0.00 72.50 66.68 2ak4 s THR 4 CO 0.03 0.45 1.24 -2.16 -2.21 0.00 0.00 174.62 171.97 2ak4 s PRO 5 N -1.33 4.45 0.20 7.08 0.04 -1.26 -4.38 135.00 139.81 2ak4 s PRO 5 Ca 0.37 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 63.22 2ak4 s PRO 5 Cb -0.22 -3.13 -0.08 0.00 0.04 0.00 0.00 34.50 31.11 2ak4 s PRO 5 CO 0.25 -0.08 0.81 0.15 0.04 0.00 0.00 177.00 178.18 2ak4 s LYS 6 N -1.34 4.57 -0.08 4.56 -0.14 0.99 -4.91 119.74 123.38 2ak4 s LYS 6 Ca 0.49 1.18 0.04 0.00 -1.36 0.00 0.00 55.97 56.32 2ak4 s LYS 6 Cb -0.37 -3.15 0.00 0.00 -1.68 0.00 0.00 37.83 32.63 2ak4 s LYS 6 CO 0.46 0.51 -0.21 0.42 -0.76 0.00 0.00 175.35 175.77 2ak4 s ILE 7 N -1.26 1.81 -0.07 2.17 -1.09 -1.26 -1.95 121.20 119.55 2ak4 s ILE 7 Ca 0.39 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 2ak4 s ILE 7 Cb -0.22 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 2ak4 s ILE 7 CO 0.26 0.51 -0.17 -1.10 -1.23 0.00 0.00 174.94 173.21 2ak4 s GLN 8 N 0.35 2.11 -0.15 2.79 -0.21 -0.31 -4.99 119.66 119.24 2ak4 s GLN 8 Ca -0.16 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.62 2ak4 s GLN 8 Cb -0.17 -1.71 -0.00 0.00 1.00 0.00 0.00 33.01 32.14 2ak4 s GLN 8 CO 0.07 0.13 -0.16 0.08 -2.12 0.00 0.00 175.29 173.29 2ak4 s VAL 9 N 0.39 2.61 0.26 1.09 1.01 -1.26 -0.59 120.40 123.90 2ak4 s VAL 9 Ca -0.13 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 2ak4 s VAL 9 Cb -0.15 -2.09 0.05 0.00 0.00 0.00 0.00 36.38 34.18 2ak4 s VAL 9 CO 0.05 0.52 0.85 -0.72 0.00 0.00 0.00 175.10 175.80 2ak4 s TYR 10 N 0.80 -0.05 0.20 5.22 1.13 -0.91 -4.59 117.35 119.14 2ak4 s TYR 10 Ca -0.06 -0.41 0.07 0.00 -1.41 0.00 0.00 57.07 55.26 2ak4 s TYR 10 Cb -0.15 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.39 2ak4 s TYR 10 CO 0.00 -1.16 0.07 -1.54 -2.51 0.00 0.00 175.55 170.40 2ak4 s SER 11 N -3.04 5.06 0.22 -0.18 1.04 -1.26 0.10 113.70 115.63 2ak4 s SER 11 Ca 0.14 -0.34 -0.08 0.00 0.48 0.00 0.00 55.95 56.15 2ak4 s SER 11 Cb -0.04 -1.17 0.17 0.00 0.10 0.00 0.00 66.02 65.08 2ak4 s SER 11 CO 0.07 0.05 1.83 -0.09 0.98 0.00 0.00 173.24 176.08 2ak4 h ARG 12 N 2.32 1.14 -6.05 4.02 2.43 -1.62 -3.44 114.38 113.18 2ak4 h ARG 12 Ca -0.47 -0.14 -0.55 0.00 -0.81 0.00 0.00 59.98 58.01 2ak4 h ARG 12 Cb 1.21 -0.22 -0.16 0.00 -0.42 0.00 0.00 29.97 30.38 2ak4 h ARG 12 CO 0.60 0.85 -0.77 -1.01 -1.51 0.00 0.00 179.97 178.13 2ak4 s HIS 13 N -5.82 2.00 0.07 2.20 3.76 -1.26 -5.04 115.29 111.20 2ak4 s HIS 13 Ca -0.13 -0.43 -0.36 0.00 -0.15 0.00 0.00 55.06 53.99 2ak4 s HIS 13 Cb 0.16 -0.95 -0.15 0.00 1.11 0.00 0.00 32.58 32.75 2ak4 s HIS 13 CO 0.82 0.47 1.49 -2.30 -0.85 0.00 0.00 174.74 174.36 2ak4 n PRO 14 N -0.08 1.55 -1.74 8.40 -0.02 -1.26 -4.84 135.00 137.01 2ak4 n PRO 14 Ca -0.10 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 2ak4 n PRO 14 Cb 0.58 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 2ak4 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ak4 n ALA 15 N 3.36 2.36 -3.63 3.55 0.00 -1.26 -5.01 120.51 119.88 2ak4 n ALA 15 Ca 0.19 0.37 -0.22 0.00 0.00 0.00 0.00 53.44 53.78 2ak4 n ALA 15 Cb 0.22 -2.44 -0.17 0.00 0.00 0.00 0.00 19.45 17.07 2ak4 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ak4 s GLU 16 N -0.70 0.01 -0.01 0.00 2.12 -1.26 -5.12 118.70 113.74 2ak4 s GLU 16 Ca 0.63 0.18 -0.32 0.00 0.36 0.00 0.00 54.97 55.82 2ak4 s GLU 16 Cb -0.51 -1.12 -0.11 0.00 0.26 0.00 0.00 34.13 32.66 2ak4 s GLU 16 CO 0.51 -0.50 1.90 0.09 -0.54 0.00 0.00 175.26 176.71 2ak4 n ASN 17 N 5.29 3.74 0.00 -1.70 3.02 -1.26 -1.45 115.26 122.91 2ak4 n ASN 17 Ca -0.05 0.95 0.00 0.00 -0.03 0.00 0.00 54.58 55.45 2ak4 n ASN 17 Cb 0.50 -1.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.22 2ak4 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ak4 n GLY 18 N 4.40 0.19 3.77 7.41 0.00 -0.17 -4.99 105.19 115.79 2ak4 n GLY 18 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2ak4 n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ak4 s LYS 19 N -0.95 3.16 0.21 1.61 2.36 -0.53 -4.98 119.74 120.63 2ak4 s LYS 19 Ca 0.00 -0.31 -0.30 0.00 -2.55 0.00 0.00 55.97 52.81 2ak4 s LYS 19 Cb 0.00 -2.95 -0.09 0.00 -1.05 0.00 0.00 37.83 33.74 2ak4 s LYS 19 CO 0.00 0.73 1.35 0.45 1.55 0.00 0.00 175.35 179.42 2ak4 s SER 20 N -1.04 6.83 0.04 1.43 0.15 -1.26 -4.07 113.70 115.78 2ak4 s SER 20 Ca 0.15 2.47 0.00 0.00 0.70 0.00 0.00 55.95 59.27 2ak4 s SER 20 Cb -0.12 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.58 2ak4 s SER 20 CO 0.04 -0.58 0.05 -3.20 1.20 0.00 0.00 173.24 170.76 2ak4 n ASN 21 N 2.58 -0.14 -4.08 5.45 2.85 0.60 -5.00 115.26 117.52 2ak4 n ASN 21 Ca 0.06 -1.23 -0.24 0.00 -0.11 0.00 0.00 54.58 53.07 2ak4 n ASN 21 Cb 0.42 0.27 -0.16 0.00 1.24 0.00 0.00 39.78 41.55 2ak4 n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2ak4 s PHE 22 N -4.11 1.39 -0.23 1.20 0.40 -1.26 -1.20 117.98 114.17 2ak4 s PHE 22 Ca 0.04 -0.37 -0.11 0.00 -0.60 0.00 0.00 56.93 55.88 2ak4 s PHE 22 Cb -0.00 -0.95 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 2ak4 s PHE 22 CO 0.03 -0.13 0.20 -1.17 0.70 0.00 0.00 175.22 174.85 2ak4 s LEU 23 N 0.06 4.13 0.03 -0.37 2.96 0.76 -1.41 118.68 124.84 2ak4 s LEU 23 Ca -0.03 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.13 2ak4 s LEU 23 Cb -0.10 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.38 2ak4 s LEU 23 CO 0.01 0.05 -0.11 0.20 -1.32 0.00 0.00 176.35 175.18 2ak4 s ASN 24 N 0.99 4.33 -0.22 3.68 0.01 0.11 -1.90 114.94 121.95 2ak4 s ASN 24 Ca 0.10 -0.27 -0.02 0.00 -0.71 0.00 0.00 52.86 51.96 2ak4 s ASN 24 Cb -0.14 -0.90 0.07 0.00 0.41 0.00 0.00 41.25 40.70 2ak4 s ASN 24 CO 0.05 0.26 0.04 0.00 -1.51 0.00 0.00 177.10 175.94 2ak4 s TYR 26 N 1.80 3.21 -0.14 0.00 5.04 0.24 -1.47 117.35 126.03 2ak4 s TYR 26 Ca 0.01 0.28 -0.03 0.00 -2.44 0.00 0.00 57.07 54.90 2ak4 s TYR 26 Cb -0.17 -2.81 -0.02 0.00 0.35 0.00 0.00 41.96 39.30 2ak4 s TYR 26 CO -0.12 -0.44 -0.06 0.14 -1.34 0.00 0.00 175.55 173.73 2ak4 s VAL 27 N 2.30 3.67 0.22 3.14 -7.23 -0.62 -1.17 120.40 120.72 2ak4 s VAL 27 Ca 0.18 -0.44 -0.13 0.00 -1.81 0.00 0.00 61.98 59.78 2ak4 s VAL 27 Cb -0.16 -2.58 -0.00 0.00 0.56 0.00 0.00 36.38 34.20 2ak4 s VAL 27 CO 0.12 0.51 0.44 -0.94 -0.31 0.00 0.00 175.10 174.92 2ak4 s SER 28 N 0.29 -0.09 -0.18 4.85 1.04 -0.82 -0.34 113.70 118.44 2ak4 s SER 28 Ca -0.05 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2ak4 s SER 28 Cb -0.14 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2ak4 s SER 28 CO 0.04 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2ak4 n GLY 29 N -0.34 0.53 3.77 7.32 0.00 -0.56 -0.01 105.19 115.90 2ak4 n GLY 29 Ca -0.04 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 2ak4 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ak4 s PHE 30 N -1.96 3.10 -0.26 1.61 -0.12 -1.14 -4.30 117.98 114.92 2ak4 s PHE 30 Ca 0.00 -0.03 -0.19 0.00 -0.05 0.00 0.00 56.93 56.66 2ak4 s PHE 30 Cb 0.00 -1.49 0.07 0.00 -0.63 0.00 0.00 43.02 40.97 2ak4 s PHE 30 CO 0.00 0.52 0.66 -1.58 -0.05 0.00 0.00 175.22 174.77 2ak4 s HIS 31 N -1.73 -0.88 0.52 3.49 2.46 -0.73 0.26 115.29 118.68 2ak4 s HIS 31 Ca 0.30 1.91 -0.09 0.00 0.47 0.00 0.00 55.06 57.66 2ak4 s HIS 31 Cb -0.10 0.43 0.13 0.00 -0.13 0.00 0.00 32.58 32.91 2ak4 s HIS 31 CO 0.22 -0.43 0.50 -0.35 -2.47 0.00 0.00 174.74 172.21 2ak4 n PRO 32 N 3.60 -1.70 0.10 2.88 -0.04 -1.26 -1.23 135.00 137.34 2ak4 n PRO 32 Ca -0.18 -0.79 -0.03 0.00 -0.04 0.00 0.00 63.50 62.47 2ak4 n PRO 32 Cb 0.57 -0.69 -0.02 0.00 -0.04 0.00 0.00 33.50 33.32 2ak4 n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ak4 h SER 33 N -1.58 0.00 -2.50 3.54 4.64 -1.99 -3.46 113.55 112.20 2ak4 h SER 33 Ca -0.18 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.61 2ak4 h SER 33 Cb 0.54 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.67 2ak4 h SER 33 CO 0.12 0.76 1.14 -1.81 -0.87 0.00 0.00 176.83 176.17 2ak4 s ASP 34 N -6.62 6.44 -0.13 4.97 1.11 -1.26 -4.99 116.67 116.20 2ak4 s ASP 34 Ca 0.02 2.71 -0.10 0.00 0.18 0.00 0.00 52.55 55.36 2ak4 s ASP 34 Cb 0.09 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.57 2ak4 s ASP 34 CO 0.78 -1.01 0.33 -0.51 1.18 0.00 0.00 175.17 175.94 2ak4 s ILE 35 N 3.24 -0.01 -0.33 0.77 2.07 -1.26 -4.65 121.20 121.02 2ak4 s ILE 35 Ca 0.83 0.05 -0.15 0.00 -1.41 0.00 0.00 60.65 59.96 2ak4 s ILE 35 Cb -0.45 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.65 2ak4 s ILE 35 CO 0.37 0.02 0.36 -1.61 -1.91 0.00 0.00 174.94 172.18 2ak4 s GLU 36 N 0.65 3.62 -0.10 3.50 2.02 -0.34 -4.99 118.70 123.06 2ak4 s GLU 36 Ca -0.04 -0.36 0.02 0.00 0.02 0.00 0.00 54.97 54.61 2ak4 s GLU 36 Cb -0.05 -3.79 0.01 0.00 0.10 0.00 0.00 34.13 30.41 2ak4 s GLU 36 CO -0.04 -0.50 -0.15 0.08 0.02 0.00 0.00 175.26 174.67 2ak4 s VAL 37 N 2.03 1.48 0.04 2.63 1.01 -1.26 -0.50 120.40 125.83 2ak4 s VAL 37 Ca 0.12 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.53 2ak4 s VAL 37 Cb -0.16 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2ak4 s VAL 37 CO 0.12 0.43 -0.20 -1.81 0.00 0.00 0.00 175.10 173.64 2ak4 s ASP 38 N 0.88 2.42 -0.16 3.32 1.01 0.07 -4.99 116.67 119.23 2ak4 s ASP 38 Ca -0.09 -0.52 -0.07 0.00 0.71 0.00 0.00 52.55 52.58 2ak4 s ASP 38 Cb -0.15 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.54 2ak4 s ASP 38 CO 0.00 0.15 0.09 -0.76 0.21 0.00 0.00 175.17 174.86 2ak4 s LEU 39 N -1.18 4.03 0.01 1.23 1.43 -1.26 -0.47 118.68 122.46 2ak4 s LEU 39 Ca 0.07 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.45 2ak4 s LEU 39 Cb -0.09 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2ak4 s LEU 39 CO 0.02 0.27 -0.15 -0.76 0.23 0.00 0.00 176.35 175.96 2ak4 s LEU 40 N -0.17 2.76 -0.15 1.79 1.43 0.25 0.23 118.68 124.81 2ak4 s LEU 40 Ca 0.09 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 2ak4 s LEU 40 Cb -0.12 -1.60 0.02 0.00 0.03 0.00 0.00 46.19 44.52 2ak4 s LEU 40 CO 0.01 0.28 -0.16 -0.75 0.23 0.00 0.00 176.35 175.96 2ak4 s LYS 41 N -1.28 2.48 -1.64 1.70 2.20 0.26 -1.91 119.74 121.55 2ak4 s LYS 41 Ca 0.15 -0.63 -0.13 0.00 -0.36 0.00 0.00 55.97 54.99 2ak4 s LYS 41 Cb -0.11 -2.20 0.12 0.00 -1.51 0.00 0.00 37.83 34.13 2ak4 s LYS 41 CO 0.05 -0.20 0.63 0.09 -0.36 0.00 0.00 175.35 175.56 2ak4 n ASN 42 N 4.63 -2.19 0.00 1.43 3.02 0.09 -0.22 115.26 122.02 2ak4 n ASN 42 Ca -0.18 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 2ak4 n ASN 42 Cb 0.50 -2.65 0.00 0.00 -0.61 0.00 0.00 39.78 37.02 2ak4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ak4 n GLY 43 N -1.60 0.88 3.45 7.41 0.00 -1.26 -5.03 105.19 109.03 2ak4 n GLY 43 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2ak4 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ak4 s GLU 44 N -0.15 2.69 0.06 1.61 2.12 0.69 -5.04 118.70 120.69 2ak4 s GLU 44 Ca 0.00 -0.70 -0.31 0.00 0.36 0.00 0.00 54.97 54.32 2ak4 s GLU 44 Cb 0.00 -2.42 -0.08 0.00 0.26 0.00 0.00 34.13 31.89 2ak4 s GLU 44 CO 0.00 0.53 1.57 0.50 -0.54 0.00 0.00 175.26 177.31 2ak4 s ARG 45 N -0.47 4.23 0.09 4.30 3.52 -1.26 0.92 118.95 130.28 2ak4 s ARG 45 Ca 0.06 2.22 -0.29 0.00 -0.13 0.00 0.00 55.73 57.59 2ak4 s ARG 45 Cb -0.12 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.67 2ak4 s ARG 45 CO 0.02 -0.67 0.93 0.42 -0.81 0.00 0.00 175.30 175.19 2ak4 s ILE 46 N 2.39 4.56 0.51 4.11 1.01 0.14 -4.87 121.20 129.03 2ak4 s ILE 46 Ca 0.70 2.00 -0.01 0.00 0.00 0.00 0.00 60.65 63.34 2ak4 s ILE 46 Cb -0.38 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 37.81 2ak4 s ILE 46 CO 0.31 0.32 0.75 -1.61 0.00 0.00 0.00 174.94 174.70 2ak4 s GLU 47 N 0.04 2.91 -1.09 2.79 8.01 -1.26 -4.54 118.70 125.57 2ak4 s GLU 47 Ca 0.46 -0.42 -0.01 0.00 0.01 0.00 0.00 54.97 55.01 2ak4 s GLU 47 Cb -0.23 -2.47 -0.01 0.00 -4.31 0.00 0.00 34.13 27.11 2ak4 s GLU 47 CO 0.29 -0.48 0.91 1.63 0.01 0.00 0.00 175.26 177.62 2ak4 n LYS 48 N -2.27 -5.41 -3.85 1.61 4.01 -1.26 -5.00 118.16 105.99 2ak4 n LYS 48 Ca 0.03 0.79 -0.35 0.00 -0.51 0.00 0.00 58.31 58.27 2ak4 n LYS 48 Cb 0.58 -5.60 -0.10 0.00 -0.51 0.00 0.00 35.03 29.40 2ak4 n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2ak4 s VAL 49 N -3.34 4.97 0.28 -0.18 1.01 -1.26 -4.84 120.40 117.03 2ak4 s VAL 49 Ca 0.08 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.15 2ak4 s VAL 49 Cb -0.01 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2ak4 s VAL 49 CO 0.68 0.41 0.35 -1.61 0.00 0.00 0.00 175.10 174.92 2ak4 s GLU 50 N 0.71 3.17 0.05 2.72 2.02 -0.53 -4.94 118.70 121.91 2ak4 s GLU 50 Ca 0.05 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.10 2ak4 s GLU 50 Cb -0.13 -2.76 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 2ak4 s GLU 50 CO 0.02 0.29 -0.05 -3.38 0.02 0.00 0.00 175.26 172.16 2ak4 s HIS 51 N -2.10 0.55 0.89 1.61 -3.43 -1.26 -0.63 115.29 110.92 2ak4 s HIS 51 Ca 0.37 -0.79 -0.12 0.00 -0.80 0.00 0.00 55.06 53.72 2ak4 s HIS 51 Cb -0.09 -0.36 0.13 0.00 -1.43 0.00 0.00 32.58 30.83 2ak4 s HIS 51 CO 0.28 -0.23 1.10 -1.54 -2.00 0.00 0.00 174.74 172.35 2ak4 s SER 52 N -2.32 3.55 0.27 7.38 1.04 0.63 -4.99 113.70 119.27 2ak4 s SER 52 Ca -0.01 1.37 -0.29 0.00 0.48 0.00 0.00 55.95 57.50 2ak4 s SER 52 Cb -0.01 -2.06 -0.09 0.00 0.10 0.00 0.00 66.02 63.96 2ak4 s SER 52 CO -0.05 -2.57 1.11 -1.81 0.98 0.00 0.00 173.24 170.90 2ak4 s ASP 53 N -3.56 7.24 0.06 7.02 1.01 -1.26 -4.70 116.67 122.48 2ak4 s ASP 53 Ca 0.63 2.28 -0.31 0.00 0.71 0.00 0.00 52.55 55.87 2ak4 s ASP 53 Cb -0.17 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.03 2ak4 s ASP 53 CO 0.56 -0.17 1.92 -0.11 0.21 0.00 0.00 175.17 177.57 2ak4 n LEU 54 N 1.27 4.08 0.00 1.23 7.94 -1.26 -4.92 117.00 125.33 2ak4 n LEU 54 Ca -0.01 0.94 -0.16 0.00 -1.11 0.00 0.00 56.01 55.67 2ak4 n LEU 54 Cb 0.45 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 42.82 2ak4 n LEU 54 CO 0.54 0.18 -0.09 -0.24 -1.11 0.00 0.00 177.39 176.67 2ak4 n SER 55 N 6.73 0.15 -3.76 1.96 2.88 -1.23 -5.06 113.62 115.29 2ak4 n SER 55 Ca 0.19 -2.62 -0.11 0.00 -1.33 0.00 0.00 58.87 55.01 2ak4 n SER 55 Cb 0.39 1.05 -0.07 0.00 -0.75 0.00 0.00 64.21 64.82 2ak4 n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2ak4 s PHE 56 N -2.87 -0.07 0.81 0.66 -0.71 -1.26 -2.10 117.98 112.43 2ak4 s PHE 56 Ca 0.24 -0.13 -0.08 0.00 -1.04 0.00 0.00 56.93 55.92 2ak4 s PHE 56 Cb 0.01 0.09 0.15 0.00 -1.21 0.00 0.00 43.02 42.05 2ak4 s PHE 56 CO 0.17 -0.53 1.13 -1.12 -1.34 0.00 0.00 175.22 173.53 2ak4 s SER 57 N -2.25 3.94 0.46 1.98 0.01 -0.23 -4.91 113.70 112.69 2ak4 s SER 57 Ca -0.03 0.02 0.15 0.00 1.31 0.00 0.00 55.95 57.40 2ak4 s SER 57 Cb 0.00 -0.31 1.10 0.00 0.21 0.00 0.00 66.02 67.02 2ak4 s SER 57 CO -0.05 -2.16 2.02 0.11 0.41 0.00 0.00 173.24 173.57 2ak4 h LYS 58 N -0.98 0.29 -0.56 12.44 6.56 -2.03 0.49 116.57 132.78 2ak4 h LYS 58 Ca -0.41 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.16 2ak4 h LYS 58 Cb 1.26 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2ak4 h LYS 58 CO 0.43 0.19 0.00 -0.40 -2.06 0.00 0.00 179.45 177.61 2ak4 n ASP 59 N -4.47 2.02 0.00 0.86 5.68 -1.26 -4.91 116.55 114.47 2ak4 n ASP 59 Ca 0.07 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.19 2ak4 n ASP 59 Cb 0.31 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 2ak4 n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2ak4 n TRP 60 N 0.23 0.00 -2.53 2.11 7.02 0.16 -5.00 117.44 119.44 2ak4 n TRP 60 Ca 0.09 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.20 2ak4 n TRP 60 Cb 0.40 -0.32 -0.04 0.00 -2.42 0.00 0.00 31.31 28.93 2ak4 n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2ak4 s SER 61 N -2.95 6.84 0.43 -0.99 1.04 -1.26 -4.70 113.70 112.11 2ak4 s SER 61 Ca 0.00 2.08 -0.10 0.00 0.48 0.00 0.00 55.95 58.41 2ak4 s SER 61 Cb 0.00 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 2ak4 s SER 61 CO 0.00 -0.44 0.79 -0.36 0.98 0.00 0.00 173.24 174.22 2ak4 s PHE 62 N -1.57 3.49 0.01 5.02 0.08 0.14 -1.06 117.98 124.08 2ak4 s PHE 62 Ca 0.56 1.05 -0.04 0.00 0.12 0.00 0.00 56.93 58.62 2ak4 s PHE 62 Cb -0.24 -2.46 -0.01 0.00 -0.57 0.00 0.00 43.02 39.75 2ak4 s PHE 62 CO 0.30 -0.16 0.06 1.52 -0.10 0.00 0.00 175.22 176.84 2ak4 s TYR 63 N -2.46 0.13 -0.05 0.36 -0.85 -0.89 -1.50 117.35 112.09 2ak4 s TYR 63 Ca 0.51 -0.29 -0.09 0.00 -0.52 0.00 0.00 57.07 56.69 2ak4 s TYR 63 Cb -0.10 -0.11 0.02 0.00 0.38 0.00 0.00 41.96 42.15 2ak4 s TYR 63 CO 0.34 -0.23 0.21 -0.51 -1.52 0.00 0.00 175.55 173.83 2ak4 s LEU 64 N -1.36 1.22 -0.21 -3.49 1.43 0.54 -3.53 118.68 113.28 2ak4 s LEU 64 Ca -0.15 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.11 2ak4 s LEU 64 Cb -0.08 0.81 -0.03 0.00 0.03 0.00 0.00 46.19 46.92 2ak4 s LEU 64 CO 0.00 -0.21 0.02 -0.22 0.23 0.00 0.00 176.35 176.17 2ak4 s LEU 65 N -0.50 3.34 -0.18 1.79 2.96 -1.26 -1.58 118.68 123.25 2ak4 s LEU 65 Ca -0.06 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.62 2ak4 s LEU 65 Cb -0.04 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2ak4 s LEU 65 CO 0.01 0.05 0.01 -0.31 -1.32 0.00 0.00 176.35 174.79 2ak4 s TYR 66 N 1.06 3.09 0.04 5.38 1.51 -0.54 -0.27 117.35 127.62 2ak4 s TYR 66 Ca 0.03 -0.24 -0.05 0.00 -1.01 0.00 0.00 57.07 55.79 2ak4 s TYR 66 Cb -0.14 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.66 2ak4 s TYR 66 CO 0.02 -0.05 0.09 1.52 -1.11 0.00 0.00 175.55 176.02 2ak4 s TYR 67 N 0.60 0.20 -0.08 2.71 1.13 0.20 -0.00 117.35 122.11 2ak4 s TYR 67 Ca -0.00 -0.51 -0.16 0.00 -1.41 0.00 0.00 57.07 54.98 2ak4 s TYR 67 Cb -0.14 -0.14 0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2ak4 s TYR 67 CO 0.02 -0.36 0.40 -0.08 -2.51 0.00 0.00 175.55 173.01 2ak4 s THR 68 N -2.62 0.03 0.29 -3.49 -1.32 -0.80 -1.45 115.64 106.28 2ak4 s THR 68 Ca -0.05 -0.21 -0.27 0.00 -1.21 0.00 0.00 61.69 59.95 2ak4 s THR 68 Cb -0.01 -0.64 -0.09 0.00 -1.51 0.00 0.00 72.50 70.24 2ak4 s THR 68 CO -0.05 -0.12 0.93 -1.83 -2.21 0.00 0.00 174.62 171.35 2ak4 s GLU 69 N -0.61 4.68 0.18 7.08 -1.05 -1.26 -0.17 118.70 127.53 2ak4 s GLU 69 Ca -0.07 1.37 -0.17 0.00 -0.15 0.00 0.00 54.97 55.95 2ak4 s GLU 69 Cb -0.04 -2.99 0.03 0.00 -0.44 0.00 0.00 34.13 30.69 2ak4 s GLU 69 CO 0.03 0.38 0.48 -0.59 0.95 0.00 0.00 175.26 176.51 2ak4 s PHE 70 N -1.44 -0.10 -0.28 4.83 -0.71 -0.34 -4.88 117.98 115.04 2ak4 s PHE 70 Ca 0.46 -0.23 0.03 0.00 -1.04 0.00 0.00 56.93 56.15 2ak4 s PHE 70 Cb -0.21 0.33 0.07 0.00 -1.21 0.00 0.00 43.02 42.00 2ak4 s PHE 70 CO 0.27 -0.85 -0.06 0.99 -1.34 0.00 0.00 175.22 174.23 2ak4 s THR 71 N -3.86 2.19 0.46 -4.49 2.01 -1.26 -0.29 115.64 110.39 2ak4 s THR 71 Ca 0.08 -1.85 -0.25 0.00 0.31 0.00 0.00 61.69 59.99 2ak4 s THR 71 Cb 0.00 -2.39 -0.08 0.00 0.01 0.00 0.00 72.50 70.04 2ak4 s THR 71 CO -0.05 -0.21 1.36 -2.84 -0.69 0.00 0.00 174.62 172.19 2ak4 s PRO 72 N 1.05 3.66 0.20 4.92 0.02 -1.26 -4.81 135.00 138.78 2ak4 s PRO 72 Ca -0.03 2.26 0.01 0.00 0.02 0.00 0.00 61.00 63.27 2ak4 s PRO 72 Cb -0.20 -2.58 -0.05 0.00 0.02 0.00 0.00 34.50 31.69 2ak4 s PRO 72 CO -0.06 -0.79 0.04 0.95 -0.33 0.00 0.00 177.00 176.81 2ak4 s THR 73 N -1.26 0.60 0.25 0.99 -4.23 -1.26 -1.00 115.64 109.72 2ak4 s THR 73 Ca 0.62 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.09 2ak4 s THR 73 Cb -0.40 -2.32 0.26 0.00 1.34 0.00 0.00 72.50 71.38 2ak4 s THR 73 CO 0.51 -0.29 1.93 -0.08 -0.54 0.00 0.00 174.62 176.15 2ak4 h GLU 74 N 2.58 1.31 0.08 3.99 4.81 -1.97 -3.25 114.58 122.14 2ak4 h GLU 74 Ca -0.37 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 58.58 2ak4 h GLU 74 Cb 1.22 -0.30 0.02 0.00 0.63 0.00 0.00 28.75 30.33 2ak4 h GLU 74 CO 0.62 0.87 -0.82 0.87 -0.73 0.00 0.00 179.01 179.81 2ak4 h LYS 75 N 1.35 0.42 -6.51 1.92 1.57 -2.02 -3.46 116.57 109.83 2ak4 h LYS 75 Ca 0.37 -0.55 -0.53 0.00 -1.87 0.00 0.00 60.65 58.06 2ak4 h LYS 75 Cb -0.14 0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.36 2ak4 h LYS 75 CO -0.08 1.21 0.58 -0.51 -0.57 0.00 0.00 179.45 180.09 2ak4 s ASP 76 N -6.98 7.04 -0.10 0.86 1.01 -1.23 -5.03 116.67 112.25 2ak4 s ASP 76 Ca -0.13 2.09 0.01 0.00 0.71 0.00 0.00 52.55 55.23 2ak4 s ASP 76 Cb 0.03 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 2ak4 s ASP 76 CO 0.85 -0.48 -0.12 -1.61 0.21 0.00 0.00 175.17 174.01 2ak4 s GLU 77 N 0.90 3.06 0.21 8.23 2.02 -1.26 -4.67 118.70 127.18 2ak4 s GLU 77 Ca 0.59 -0.66 0.11 0.00 0.02 0.00 0.00 54.97 55.03 2ak4 s GLU 77 Cb -0.31 -2.57 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 2ak4 s GLU 77 CO 0.30 0.39 -0.23 0.71 0.02 0.00 0.00 175.26 176.46 2ak4 s TYR 78 N -0.12 2.31 0.16 1.61 2.02 -1.26 -0.73 117.35 121.35 2ak4 s TYR 78 Ca -0.01 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 2ak4 s TYR 78 Cb -0.14 -1.12 0.04 0.00 -0.40 0.00 0.00 41.96 40.34 2ak4 s TYR 78 CO 0.03 0.53 0.50 0.00 -1.57 0.00 0.00 175.55 175.05 2ak4 s ALA 79 N -1.80 -1.09 -0.10 3.71 0.00 -0.80 -0.13 121.76 121.54 2ak4 s ALA 79 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 51.96 52.18 2ak4 s ALA 79 Cb -0.07 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2ak4 s ALA 79 CO 0.11 -0.74 -0.08 0.00 0.00 0.00 0.00 175.76 175.05 2ak4 s ARG 81 N -0.32 3.08 -0.07 0.00 3.52 0.37 -1.31 118.95 124.22 2ak4 s ARG 81 Ca 0.04 -0.80 0.04 0.00 -0.13 0.00 0.00 55.73 54.89 2ak4 s ARG 81 Cb -0.13 -2.80 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 2ak4 s ARG 81 CO 0.02 -0.25 -0.21 0.08 -0.81 0.00 0.00 175.30 174.13 2ak4 s VAL 82 N 1.36 1.80 0.02 7.11 1.01 -0.11 -0.75 120.40 130.84 2ak4 s VAL 82 Ca 0.04 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2ak4 s VAL 82 Cb -0.14 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2ak4 s VAL 82 CO -0.08 0.50 -0.16 0.21 0.00 0.00 0.00 175.10 175.58 2ak4 s ASN 83 N 0.20 1.85 0.02 3.32 3.04 0.34 0.28 114.94 123.98 2ak4 s ASN 83 Ca -0.11 -0.40 -0.25 0.00 0.04 0.00 0.00 52.86 52.14 2ak4 s ASN 83 Cb -0.15 -0.16 0.06 0.00 -1.54 0.00 0.00 41.25 39.46 2ak4 s ASN 83 CO 0.05 0.11 0.57 -2.28 -3.04 0.00 0.00 177.10 172.52 2ak4 s HIS 84 N -0.65 -0.51 0.47 0.43 2.46 -1.26 -1.20 115.29 115.03 2ak4 s HIS 84 Ca 0.04 0.69 0.22 0.00 0.47 0.00 0.00 55.06 56.48 2ak4 s HIS 84 Cb -0.07 0.37 1.23 0.00 -0.13 0.00 0.00 32.58 33.98 2ak4 s HIS 84 CO 0.01 -0.63 1.91 -0.24 -2.47 0.00 0.00 174.74 173.31 2ak4 h VAL 85 N 2.86 0.69 0.00 0.89 3.04 -1.96 0.20 116.25 121.97 2ak4 h VAL 85 Ca -0.30 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 2ak4 h VAL 85 Cb 1.19 0.44 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 2ak4 h VAL 85 CO 0.40 0.04 -0.05 0.71 -1.01 0.00 0.00 177.57 177.66 2ak4 h THR 86 N 0.23 0.13 -3.86 3.17 1.35 -1.92 -3.42 112.91 108.59 2ak4 h THR 86 Ca 0.39 -0.59 -0.64 0.00 -0.55 0.00 0.00 66.41 65.01 2ak4 h THR 86 Cb 1.17 1.52 -0.18 0.00 -1.73 0.00 0.00 68.15 68.94 2ak4 h THR 86 CO -0.09 0.05 -0.53 -0.76 -0.25 0.00 0.00 175.52 173.93 2ak4 s LEU 87 N -6.35 3.95 0.43 3.87 1.43 0.70 -4.94 118.68 117.76 2ak4 s LEU 87 Ca 0.00 -0.04 0.27 0.00 -1.03 0.00 0.00 54.13 53.33 2ak4 s LEU 87 Cb 0.10 -2.09 0.81 0.00 0.03 0.00 0.00 46.19 45.04 2ak4 s LEU 87 CO 0.55 -0.05 1.77 0.77 0.23 0.00 0.00 176.35 179.62 2ak4 h SER 88 N 8.35 0.00 -4.12 2.29 4.64 -1.82 -3.41 113.55 119.49 2ak4 h SER 88 Ca -0.35 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.59 2ak4 h SER 88 Cb 1.19 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.00 2ak4 h SER 88 CO 0.55 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 175.74 2ak4 s GLN 89 N -3.36 0.68 0.27 4.77 0.00 -1.26 -5.13 119.66 115.63 2ak4 s GLN 89 Ca 0.05 -0.39 -0.30 0.00 -0.00 0.00 0.00 55.36 54.72 2ak4 s GLN 89 Cb 0.08 -0.64 -0.11 0.00 0.00 0.00 0.00 33.01 32.34 2ak4 s GLN 89 CO 0.59 0.17 1.53 -2.14 0.00 0.00 0.00 175.29 175.44 2ak4 s PRO 90 N -0.44 4.19 -0.26 9.60 0.02 -1.26 -4.89 135.00 141.96 2ak4 s PRO 90 Ca 0.02 2.45 -0.14 0.00 0.02 0.00 0.00 61.00 63.35 2ak4 s PRO 90 Cb -0.04 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.37 2ak4 s PRO 90 CO -0.00 -0.54 0.32 0.21 -0.33 0.00 0.00 177.00 176.66 2ak4 s LYS 91 N -0.35 4.04 -0.24 5.54 2.20 0.14 -4.89 119.74 126.18 2ak4 s LYS 91 Ca 0.62 -0.03 -0.10 0.00 -0.36 0.00 0.00 55.97 56.10 2ak4 s LYS 91 Cb -0.45 -3.62 -0.05 0.00 -1.51 0.00 0.00 37.83 32.20 2ak4 s LYS 91 CO 0.45 -0.18 0.14 0.42 -0.36 0.00 0.00 175.35 175.81 2ak4 s ILE 92 N 1.78 5.16 -0.21 5.43 1.09 -1.26 -0.93 121.20 132.27 2ak4 s ILE 92 Ca 0.13 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.80 2ak4 s ILE 92 Cb -0.15 -3.40 0.02 0.00 -1.06 0.00 0.00 42.46 37.86 2ak4 s ILE 92 CO 0.09 0.35 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.45 2ak4 s VAL 93 N 1.08 2.39 0.43 2.92 1.01 -0.43 -4.99 120.40 122.82 2ak4 s VAL 93 Ca 0.07 -0.97 -0.23 0.00 0.00 0.00 0.00 61.98 60.84 2ak4 s VAL 93 Cb -0.14 -2.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.06 2ak4 s VAL 93 CO 0.04 0.40 1.11 -0.54 0.00 0.00 0.00 175.10 176.12 2ak4 s LYS 94 N 1.30 3.93 -0.15 2.72 1.02 -1.26 -0.79 119.74 126.52 2ak4 s LYS 94 Ca 0.03 1.65 -0.29 0.00 0.02 0.00 0.00 55.97 57.37 2ak4 s LYS 94 Cb -0.15 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 2ak4 s LYS 94 CO -0.09 -0.37 1.04 -0.46 -0.92 0.00 0.00 175.35 174.55 2ak4 s TRP 95 N -1.61 3.40 -0.20 3.18 -0.00 0.81 -4.87 118.94 119.66 2ak4 s TRP 95 Ca 0.61 1.50 0.00 0.00 -0.00 0.00 0.00 56.10 58.21 2ak4 s TRP 95 Cb -0.25 -3.25 0.02 0.00 -0.00 0.00 0.00 33.47 29.99 2ak4 s TRP 95 CO 0.31 -0.46 -0.16 0.34 -0.00 0.00 0.00 176.95 176.99 2ak4 s ASP 96 N 1.20 3.51 0.39 5.86 -1.08 -1.26 -4.71 116.67 120.59 2ak4 s ASP 96 Ca 0.48 -0.73 0.28 0.00 -0.52 0.00 0.00 52.55 52.06 2ak4 s ASP 96 Cb -0.18 -1.53 1.31 0.00 -1.46 0.00 0.00 42.92 41.06 2ak4 s ASP 96 CO 0.14 -0.04 1.85 0.08 0.52 0.00 0.00 175.17 177.72 2ak4 h ARG 97 N 7.95 0.00 -0.29 4.34 0.11 -1.95 -1.43 114.38 123.10 2ak4 h ARG 97 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 2ak4 h ARG 97 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2ak4 h ARG 97 CO 0.61 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.43 2ak4 n ASP 98 N -2.55 2.33 0.00 0.08 8.00 -1.26 -4.71 116.55 118.44 2ak4 n ASP 98 Ca 0.00 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.65 2ak4 n ASP 98 Cb 0.18 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2ak4 n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04