#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axg s GLN 2 N 0.00 1.48 -0.08 6.28 -0.21 -1.26 -4.85 119.66 121.01 2axg s GLN 2 Ca 0.00 -1.46 0.03 0.00 0.02 0.00 0.00 55.36 53.94 2axg s GLN 2 Cb 0.00 -1.86 0.01 0.00 1.00 0.00 0.00 33.01 32.16 2axg s GLN 2 CO 0.00 0.42 -0.16 1.03 -2.12 0.00 0.00 175.29 174.45 2axg s ARG 3 N -2.45 2.22 0.41 2.91 0.52 0.63 -4.95 118.95 118.24 2axg s ARG 3 Ca 0.18 -0.59 -0.23 0.00 -0.52 0.00 0.00 55.73 54.57 2axg s ARG 3 Cb -0.09 -1.78 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 2axg s ARG 3 CO 0.08 0.06 1.06 -0.08 0.02 0.00 0.00 175.30 176.44 2axg s THR 4 N 0.63 3.67 0.26 0.02 -1.32 -1.26 -1.63 115.64 116.02 2axg s THR 4 Ca -0.14 1.25 -0.30 0.00 -1.21 0.00 0.00 61.69 61.29 2axg s THR 4 Cb -0.16 -3.63 -0.09 0.00 -1.51 0.00 0.00 72.50 67.10 2axg s THR 4 CO 0.04 -0.02 1.05 -2.16 -2.21 0.00 0.00 174.62 171.32 2axg s PRO 5 N -2.60 4.70 0.22 7.08 0.04 -1.26 -4.31 135.00 138.87 2axg s PRO 5 Ca 0.59 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 63.19 2axg s PRO 5 Cb -0.22 -3.22 -0.08 0.00 0.04 0.00 0.00 34.50 31.02 2axg s PRO 5 CO 0.27 0.29 0.64 0.15 0.04 0.00 0.00 177.00 178.40 2axg s LYS 6 N -1.33 4.03 -0.03 4.56 1.02 0.27 -4.90 119.74 123.37 2axg s LYS 6 Ca 0.44 0.60 0.01 0.00 0.02 0.00 0.00 55.97 57.04 2axg s LYS 6 Cb -0.30 -2.76 0.01 0.00 -0.52 0.00 0.00 37.83 34.26 2axg s LYS 6 CO 0.38 0.36 -0.05 0.42 -0.92 0.00 0.00 175.35 175.54 2axg s ILE 7 N -1.65 0.55 -0.05 2.17 1.01 -1.26 -1.67 121.20 120.29 2axg s ILE 7 Ca 0.44 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.92 2axg s ILE 7 Cb -0.14 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.82 2axg s ILE 7 CO 0.20 0.21 -0.05 -1.10 0.00 0.00 0.00 174.94 174.19 2axg s GLN 8 N 0.58 0.93 -0.14 2.79 -0.21 -0.74 -4.99 119.66 117.88 2axg s GLN 8 Ca -0.08 -0.13 -0.01 0.00 0.02 0.00 0.00 55.36 55.17 2axg s GLN 8 Cb -0.11 -0.95 -0.02 0.00 1.00 0.00 0.00 33.01 32.94 2axg s GLN 8 CO 0.00 -0.10 -0.11 0.08 -2.12 0.00 0.00 175.29 173.04 2axg s VAL 9 N 1.02 3.18 0.25 1.09 1.01 -1.26 -0.75 120.40 124.94 2axg s VAL 9 Ca -0.09 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 2axg s VAL 9 Cb -0.14 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 33.95 2axg s VAL 9 CO -0.00 0.51 0.94 -0.72 0.00 0.00 0.00 175.10 175.83 2axg s TYR 10 N 0.43 0.06 0.13 5.22 1.13 -0.34 -4.46 117.35 119.52 2axg s TYR 10 Ca -0.09 -0.55 0.06 0.00 -1.41 0.00 0.00 57.07 55.08 2axg s TYR 10 Cb -0.16 0.74 -0.04 0.00 -1.10 0.00 0.00 41.96 41.41 2axg s TYR 10 CO 0.05 -1.14 0.02 -1.54 -2.51 0.00 0.00 175.55 170.43 2axg s SER 11 N -3.25 5.00 0.08 -0.18 1.04 -1.26 0.77 113.70 115.90 2axg s SER 11 Ca 0.19 -0.25 -0.19 0.00 0.48 0.00 0.00 55.95 56.18 2axg s SER 11 Cb -0.03 -1.16 -0.09 0.00 0.10 0.00 0.00 66.02 64.84 2axg s SER 11 CO 0.07 0.13 1.55 -0.09 0.98 0.00 0.00 173.24 175.88 2axg h ARG 12 N 3.06 0.38 -6.10 4.02 2.43 -1.71 -3.45 114.38 113.01 2axg h ARG 12 Ca -0.47 -0.11 -0.55 0.00 -0.81 0.00 0.00 59.98 58.04 2axg h ARG 12 Cb 1.18 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.61 2axg h ARG 12 CO 0.59 0.53 -0.56 -1.01 -1.51 0.00 0.00 179.97 178.02 2axg s HIS 13 N -5.14 2.70 0.31 2.20 3.76 -1.26 -5.05 115.29 112.81 2axg s HIS 13 Ca -0.14 -0.36 -0.30 0.00 -0.15 0.00 0.00 55.06 54.12 2axg s HIS 13 Cb 0.07 -1.56 -0.12 0.00 1.11 0.00 0.00 32.58 32.09 2axg s HIS 13 CO 0.73 0.40 1.54 -2.30 -0.85 0.00 0.00 174.74 174.26 2axg n PRO 14 N -1.10 2.61 -2.02 8.40 -0.02 -1.26 -4.88 135.00 136.73 2axg n PRO 14 Ca -0.04 0.93 -0.42 0.00 -2.02 0.00 0.00 63.50 61.95 2axg n PRO 14 Cb 0.61 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 2axg n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2axg s ALA 15 N -0.32 3.67 -0.29 3.55 0.00 -1.26 -5.00 121.76 122.11 2axg s ALA 15 Ca 0.61 1.17 -0.02 0.00 0.00 0.00 0.00 51.96 53.73 2axg s ALA 15 Cb -0.51 -3.64 0.09 0.00 0.00 0.00 0.00 23.12 19.07 2axg s ALA 15 CO 0.53 -0.92 0.09 -1.21 0.00 0.00 0.00 175.76 174.25 2axg s GLU 16 N 2.03 0.62 0.08 0.00 2.02 -1.26 -5.11 118.70 117.08 2axg s GLU 16 Ca 0.70 -0.89 -0.36 0.00 0.02 0.00 0.00 54.97 54.44 2axg s GLU 16 Cb -0.39 -1.86 -0.18 0.00 0.10 0.00 0.00 34.13 31.80 2axg s GLU 16 CO 0.31 -0.94 0.94 0.09 0.02 0.00 0.00 175.26 175.67 2axg n ASN 17 N 4.94 -0.13 0.00 -0.19 3.02 -1.26 -0.15 115.26 121.49 2axg n ASN 17 Ca -0.04 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.66 2axg n ASN 17 Cb 0.43 -0.98 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2axg n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2axg n GLY 18 N 1.75 1.30 3.45 7.41 0.00 0.57 -4.95 105.19 114.71 2axg n GLY 18 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2axg n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2axg s LYS 19 N -0.07 3.18 0.24 1.61 2.20 0.78 -4.97 119.74 122.72 2axg s LYS 19 Ca 0.00 -0.63 -0.31 0.00 -0.36 0.00 0.00 55.97 54.68 2axg s LYS 19 Cb 0.00 -2.64 -0.11 0.00 -1.51 0.00 0.00 37.83 33.57 2axg s LYS 19 CO 0.00 0.37 1.57 0.45 -0.36 0.00 0.00 175.35 177.38 2axg s SER 20 N -0.04 6.49 0.00 1.43 0.15 -1.26 -3.88 113.70 116.59 2axg s SER 20 Ca -0.02 2.79 0.00 0.00 0.70 0.00 0.00 55.95 59.43 2axg s SER 20 Cb -0.14 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2axg s SER 20 CO 0.03 -0.85 0.00 -3.20 1.20 0.00 0.00 173.24 170.43 2axg n ASN 21 N 2.88 0.00 -3.99 5.45 2.85 0.17 -4.97 115.26 117.64 2axg n ASN 21 Ca 0.10 -0.33 -0.21 0.00 -0.11 0.00 0.00 54.58 54.04 2axg n ASN 21 Cb 0.38 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.24 2axg n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2axg s PHE 22 N -2.22 0.98 -0.23 1.20 0.40 -1.26 -0.94 117.98 115.91 2axg s PHE 22 Ca 0.00 -0.26 -0.11 0.00 -0.60 0.00 0.00 56.93 55.97 2axg s PHE 22 Cb 0.00 -0.71 -0.05 0.00 0.51 0.00 0.00 43.02 42.77 2axg s PHE 22 CO 0.00 -0.12 0.16 -1.17 0.70 0.00 0.00 175.22 174.79 2axg s LEU 23 N 0.30 4.14 0.03 -0.37 2.96 0.66 -1.69 118.68 124.70 2axg s LEU 23 Ca -0.05 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 2axg s LEU 23 Cb -0.10 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2axg s LEU 23 CO 0.01 0.09 -0.17 0.20 -1.32 0.00 0.00 176.35 175.16 2axg s ASN 24 N 0.86 3.88 -0.18 3.68 0.01 0.23 -1.80 114.94 121.63 2axg s ASN 24 Ca 0.08 -0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 51.84 2axg s ASN 24 Cb -0.13 -0.67 0.05 0.00 0.41 0.00 0.00 41.25 40.91 2axg s ASN 24 CO 0.03 0.27 0.00 0.00 -1.51 0.00 0.00 177.10 175.89 2axg s TYR 26 N 1.78 3.16 -0.19 0.00 5.04 0.07 -1.20 117.35 126.00 2axg s TYR 26 Ca -0.00 -0.75 -0.06 0.00 -2.44 0.00 0.00 57.07 53.82 2axg s TYR 26 Cb -0.16 -2.30 -0.03 0.00 0.35 0.00 0.00 41.96 39.81 2axg s TYR 26 CO -0.07 -0.51 0.03 0.14 -1.34 0.00 0.00 175.55 173.80 2axg s VAL 27 N 1.56 4.35 0.26 3.14 -7.23 -0.62 -1.79 120.40 120.07 2axg s VAL 27 Ca 0.04 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2axg s VAL 27 Cb -0.17 -2.96 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 2axg s VAL 27 CO 0.04 0.44 0.25 -0.94 -0.31 0.00 0.00 175.10 174.58 2axg s SER 28 N 0.72 0.67 -2.12 4.85 1.04 -0.67 -1.13 113.70 117.06 2axg s SER 28 Ca 0.02 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2axg s SER 28 Cb -0.14 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2axg s SER 28 CO 0.02 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2axg n GLY 29 N -0.42 1.84 3.84 7.32 0.00 -0.82 -0.57 105.19 116.37 2axg n GLY 29 Ca 0.03 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2axg n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2axg s PHE 30 N -2.76 3.18 -0.28 1.61 -0.12 -1.19 -4.47 117.98 113.96 2axg s PHE 30 Ca 0.00 -0.05 -0.20 0.00 -0.05 0.00 0.00 56.93 56.63 2axg s PHE 30 Cb 0.00 -1.48 0.10 0.00 -0.63 0.00 0.00 43.02 41.02 2axg s PHE 30 CO 0.00 0.51 0.85 -1.58 -0.05 0.00 0.00 175.22 174.95 2axg s HIS 31 N -1.96 -0.75 0.72 3.49 2.46 -0.64 -0.73 115.29 117.88 2axg s HIS 31 Ca 0.32 1.62 -0.12 0.00 0.47 0.00 0.00 55.06 57.35 2axg s HIS 31 Cb -0.09 0.42 0.18 0.00 -0.13 0.00 0.00 32.58 32.97 2axg s HIS 31 CO 0.25 -0.37 0.58 -0.35 -2.47 0.00 0.00 174.74 172.38 2axg n PRO 32 N 3.35 -2.54 0.13 2.88 -0.04 -1.26 -0.27 135.00 137.25 2axg n PRO 32 Ca -0.17 -0.94 0.01 0.00 -0.04 0.00 0.00 63.50 62.37 2axg n PRO 32 Cb 0.57 -0.95 0.03 0.00 -0.04 0.00 0.00 33.50 33.12 2axg n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2axg h SER 33 N -2.19 0.00 -2.80 3.54 4.64 -1.99 -3.46 113.55 111.29 2axg h SER 33 Ca -0.23 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.57 2axg h SER 33 Cb 0.71 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.86 2axg h SER 33 CO 0.15 0.57 0.98 -1.81 -0.87 0.00 0.00 176.83 175.85 2axg s ASP 34 N -6.50 6.39 -0.09 4.97 1.01 -1.26 -4.97 116.67 116.22 2axg s ASP 34 Ca 0.03 2.86 -0.26 0.00 0.71 0.00 0.00 52.55 55.89 2axg s ASP 34 Cb 0.08 -2.61 0.06 0.00 1.01 0.00 0.00 42.92 41.47 2axg s ASP 34 CO 0.75 -0.95 0.60 -0.51 0.21 0.00 0.00 175.17 175.27 2axg s ILE 35 N 0.96 0.01 -0.22 0.77 2.07 -1.26 -4.62 121.20 118.91 2axg s ILE 35 Ca 0.72 -0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.87 2axg s ILE 35 Cb -0.49 -0.91 0.02 0.00 0.13 0.00 0.00 42.46 41.21 2axg s ILE 35 CO 0.35 -0.05 -0.09 -0.70 -1.91 0.00 0.00 174.94 172.54 2axg s GLU 36 N -0.85 3.02 -0.10 3.50 2.12 -0.19 -4.99 118.70 121.21 2axg s GLU 36 Ca -0.09 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.42 2axg s GLU 36 Cb -0.02 -2.89 0.01 0.00 0.26 0.00 0.00 34.13 31.49 2axg s GLU 36 CO 0.07 -0.30 -0.17 0.08 -0.54 0.00 0.00 175.26 174.40 2axg s VAL 37 N 1.36 1.57 -0.01 3.70 1.01 -1.26 -0.57 120.40 126.20 2axg s VAL 37 Ca 0.03 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2axg s VAL 37 Cb -0.15 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2axg s VAL 37 CO -0.06 0.45 -0.15 -1.81 0.00 0.00 0.00 175.10 173.53 2axg s ASP 38 N 0.72 1.77 -0.14 3.32 1.01 0.07 -4.97 116.67 118.44 2axg s ASP 38 Ca -0.12 -0.28 -0.09 0.00 0.71 0.00 0.00 52.55 52.76 2axg s ASP 38 Cb -0.16 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.53 2axg s ASP 38 CO 0.03 0.18 0.16 -0.76 0.21 0.00 0.00 175.17 174.99 2axg s LEU 39 N -0.41 4.33 0.06 1.23 1.43 -1.26 0.44 118.68 124.50 2axg s LEU 39 Ca 0.06 0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.67 2axg s LEU 39 Cb -0.06 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2axg s LEU 39 CO -0.00 0.31 -0.24 -0.76 0.23 0.00 0.00 176.35 175.88 2axg s LEU 40 N -0.47 2.31 -0.26 1.79 1.43 0.13 -0.51 118.68 123.11 2axg s LEU 40 Ca 0.13 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 2axg s LEU 40 Cb -0.12 -1.34 0.07 0.00 0.03 0.00 0.00 46.19 44.82 2axg s LEU 40 CO 0.03 0.24 -0.05 -0.75 0.23 0.00 0.00 176.35 176.05 2axg s LYS 41 N -1.43 1.75 -1.27 1.70 2.20 0.67 -2.06 119.74 121.30 2axg s LYS 41 Ca 0.13 -1.19 -0.01 0.00 -0.36 0.00 0.00 55.97 54.53 2axg s LYS 41 Cb -0.10 -2.71 -0.00 0.00 -1.51 0.00 0.00 37.83 33.50 2axg s LYS 41 CO 0.04 -0.64 0.75 0.09 -0.36 0.00 0.00 175.35 175.23 2axg n ASN 42 N 4.56 -1.71 0.00 1.43 3.02 -0.20 -1.69 115.26 120.68 2axg n ASN 42 Ca -0.11 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.65 2axg n ASN 42 Cb 0.43 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 2axg n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2axg n GLY 43 N -1.50 1.54 3.68 7.41 0.00 -1.26 -4.99 105.19 110.07 2axg n GLY 43 Ca -0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.39 2axg n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2axg s GLU 44 N -0.12 3.58 0.11 1.61 2.02 -0.68 -5.03 118.70 120.18 2axg s GLU 44 Ca 0.00 -0.33 -0.31 0.00 0.02 0.00 0.00 54.97 54.35 2axg s GLU 44 Cb 0.00 -3.07 -0.10 0.00 0.10 0.00 0.00 34.13 31.06 2axg s GLU 44 CO 0.00 0.49 1.83 0.50 0.02 0.00 0.00 175.26 178.10 2axg s ARG 45 N -0.25 4.14 0.11 1.61 3.52 -1.26 -0.24 118.95 126.58 2axg s ARG 45 Ca 0.08 2.57 -0.30 0.00 -0.13 0.00 0.00 55.73 57.95 2axg s ARG 45 Cb -0.12 -3.68 -0.06 0.00 -1.56 0.00 0.00 34.95 29.53 2axg s ARG 45 CO 0.02 -0.85 1.15 0.42 -0.81 0.00 0.00 175.30 175.22 2axg s ILE 46 N 2.99 3.99 -0.02 4.11 1.01 0.33 -4.89 121.20 128.72 2axg s ILE 46 Ca 0.81 1.54 -0.19 0.00 0.00 0.00 0.00 60.65 62.82 2axg s ILE 46 Cb -0.45 -3.99 -0.10 0.00 0.01 0.00 0.00 42.46 37.93 2axg s ILE 46 CO 0.37 0.18 0.80 -0.08 0.00 0.00 0.00 174.94 176.21 2axg h GLU 47 N 6.07 -0.65 -6.43 2.79 4.81 -1.92 -3.42 114.58 115.83 2axg h GLU 47 Ca -0.43 0.04 -0.54 0.00 -0.13 0.00 0.00 59.36 58.30 2axg h GLU 47 Cb 1.21 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.67 2axg h GLU 47 CO 0.77 -0.43 1.04 0.15 -0.73 0.00 0.00 179.01 179.81 2axg s LYS 48 N -3.76 3.29 -0.02 1.92 -0.14 -1.26 -4.98 119.74 114.79 2axg s LYS 48 Ca -0.10 -0.02 -0.00 0.00 -1.36 0.00 0.00 55.97 54.49 2axg s LYS 48 Cb 0.01 -4.13 0.03 0.00 -1.68 0.00 0.00 37.83 32.06 2axg s LYS 48 CO 0.30 -2.00 0.04 0.08 -0.76 0.00 0.00 175.35 173.01 2axg s VAL 49 N 5.58 -0.05 0.38 3.17 1.01 -1.26 -4.75 120.40 124.48 2axg s VAL 49 Ca 0.39 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.63 2axg s VAL 49 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.17 2axg s VAL 49 CO 0.19 0.07 0.19 -1.61 0.00 0.00 0.00 175.10 173.94 2axg s GLU 50 N 0.89 2.35 0.06 2.72 2.02 -0.82 -4.95 118.70 120.98 2axg s GLU 50 Ca -0.07 -1.64 -0.10 0.00 0.02 0.00 0.00 54.97 53.18 2axg s GLU 50 Cb -0.10 -2.15 0.01 0.00 0.10 0.00 0.00 34.13 31.99 2axg s GLU 50 CO -0.03 -0.01 0.22 -3.38 0.02 0.00 0.00 175.26 172.08 2axg s HIS 51 N -2.49 0.06 1.07 1.61 -3.43 -1.26 -0.84 115.29 110.01 2axg s HIS 51 Ca 0.40 -0.35 -0.16 0.00 -0.80 0.00 0.00 55.06 54.16 2axg s HIS 51 Cb -0.01 -0.01 0.22 0.00 -1.43 0.00 0.00 32.58 31.36 2axg s HIS 51 CO 0.23 -0.49 1.13 -1.54 -2.00 0.00 0.00 174.74 172.07 2axg s SER 52 N -2.40 2.07 0.15 7.38 1.04 -0.36 -4.97 113.70 116.61 2axg s SER 52 Ca -0.01 0.83 -0.27 0.00 0.48 0.00 0.00 55.95 56.98 2axg s SER 52 Cb 0.01 -1.26 -0.07 0.00 0.10 0.00 0.00 66.02 64.80 2axg s SER 52 CO -0.07 -3.44 0.83 -1.81 0.98 0.00 0.00 173.24 169.74 2axg s ASP 53 N -3.85 7.42 0.05 7.02 1.01 -1.26 -4.78 116.67 122.28 2axg s ASP 53 Ca 0.68 1.69 -0.35 0.00 0.71 0.00 0.00 52.55 55.28 2axg s ASP 53 Cb -0.13 -2.53 -0.14 0.00 1.01 0.00 0.00 42.92 41.13 2axg s ASP 53 CO 0.56 0.13 1.58 -0.11 0.21 0.00 0.00 175.17 177.54 2axg n LEU 54 N 1.95 2.68 -4.07 1.23 7.94 -1.26 -4.95 117.00 120.53 2axg n LEU 54 Ca -0.03 1.07 -0.11 0.00 -1.11 0.00 0.00 56.01 55.83 2axg n LEU 54 Cb 0.49 -1.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.05 2axg n LEU 54 CO 0.48 -0.47 0.06 -0.55 -1.11 0.00 0.00 177.39 175.79 2axg s SER 55 N 1.61 0.13 0.07 1.96 0.15 -1.25 -5.06 113.70 111.31 2axg s SER 55 Ca 0.85 -1.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.35 2axg s SER 55 Cb -0.80 0.54 -0.04 0.00 -1.71 0.00 0.00 66.02 64.01 2axg s SER 55 CO 0.46 -1.08 -0.01 0.72 1.20 0.00 0.00 173.24 174.52 2axg s PHE 56 N -3.91 0.59 0.76 3.44 -0.71 -1.26 -1.75 117.98 115.14 2axg s PHE 56 Ca 0.28 -1.10 -0.04 0.00 -1.04 0.00 0.00 56.93 55.03 2axg s PHE 56 Cb 0.01 -0.41 0.16 0.00 -1.21 0.00 0.00 43.02 41.58 2axg s PHE 56 CO 0.12 -0.41 1.05 0.43 -1.34 0.00 0.00 175.22 175.06 2axg n SER 57 N 0.07 1.01 0.30 1.98 7.64 -0.13 -4.93 113.62 119.55 2axg n SER 57 Ca -0.12 -1.94 0.17 0.00 1.01 0.00 0.00 58.87 57.99 2axg n SER 57 Cb 0.62 -0.71 0.96 0.00 -1.01 0.00 0.00 64.21 64.06 2axg n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2axg h LYS 58 N 0.00 0.00 -0.46 1.43 1.57 -2.02 -0.56 116.57 116.53 2axg h LYS 58 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 2axg h LYS 58 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2axg h LYS 58 CO 0.33 0.03 0.00 -0.40 -0.57 0.00 0.00 179.45 178.84 2axg n ASP 59 N -3.47 2.41 0.00 0.86 5.68 -1.26 -4.91 116.55 115.85 2axg n ASP 59 Ca -0.02 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2axg n ASP 59 Cb 0.14 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 2axg n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2axg n TRP 60 N 0.71 0.00 -2.52 2.11 7.02 -0.22 -5.02 117.44 119.54 2axg n TRP 60 Ca 0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.26 2axg n TRP 60 Cb 0.40 -0.11 -0.04 0.00 -2.42 0.00 0.00 31.31 29.14 2axg n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2axg s SER 61 N -3.44 6.61 0.53 -0.99 1.04 -1.26 -4.70 113.70 111.49 2axg s SER 61 Ca 0.00 2.04 -0.07 0.00 0.48 0.00 0.00 55.95 58.40 2axg s SER 61 Cb 0.00 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.51 2axg s SER 61 CO 0.00 -0.59 0.87 -0.36 0.98 0.00 0.00 173.24 174.13 2axg s PHE 62 N -1.72 3.55 -0.11 5.02 0.08 0.09 -0.96 117.98 123.94 2axg s PHE 62 Ca 0.60 0.93 -0.12 0.00 0.12 0.00 0.00 56.93 58.46 2axg s PHE 62 Cb -0.21 -2.47 0.03 0.00 -0.57 0.00 0.00 43.02 39.80 2axg s PHE 62 CO 0.27 -0.45 0.34 1.52 -0.10 0.00 0.00 175.22 176.79 2axg s TYR 63 N -2.89 -0.34 -0.01 0.36 -0.85 -0.72 -1.95 117.35 110.95 2axg s TYR 63 Ca 0.50 0.81 -0.06 0.00 -0.52 0.00 0.00 57.07 57.81 2axg s TYR 63 Cb -0.11 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.36 2axg s TYR 63 CO 0.47 -0.21 0.12 -0.51 -1.52 0.00 0.00 175.55 173.90 2axg s LEU 64 N -0.06 1.62 -0.19 -3.49 1.43 -0.28 -3.75 118.68 113.96 2axg s LEU 64 Ca -0.02 -0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2axg s LEU 64 Cb -0.03 0.54 0.00 0.00 0.03 0.00 0.00 46.19 46.73 2axg s LEU 64 CO 0.01 -0.26 -0.12 -0.22 0.23 0.00 0.00 176.35 175.99 2axg s LEU 65 N -0.95 2.57 -0.12 1.79 2.96 -1.26 -1.59 118.68 122.07 2axg s LEU 65 Ca -0.10 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2axg s LEU 65 Cb -0.06 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 2axg s LEU 65 CO 0.01 0.03 -0.00 -0.31 -1.32 0.00 0.00 176.35 174.75 2axg s TYR 66 N 1.18 3.13 0.03 5.38 1.51 -0.34 -1.23 117.35 127.01 2axg s TYR 66 Ca 0.02 0.02 -0.09 0.00 -1.01 0.00 0.00 57.07 56.00 2axg s TYR 66 Cb -0.14 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 2axg s TYR 66 CO -0.05 0.26 0.19 1.52 -1.11 0.00 0.00 175.55 176.36 2axg s TYR 67 N -0.29 0.05 -0.22 2.71 1.13 -0.02 -0.84 117.35 119.87 2axg s TYR 67 Ca 0.06 -0.24 -0.21 0.00 -1.41 0.00 0.00 57.07 55.27 2axg s TYR 67 Cb -0.12 -0.03 0.06 0.00 -1.10 0.00 0.00 41.96 40.77 2axg s TYR 67 CO 0.02 -0.41 0.59 -0.08 -2.51 0.00 0.00 175.55 173.16 2axg s THR 68 N -2.40 0.00 0.60 -3.49 -1.32 -0.74 -1.94 115.64 106.35 2axg s THR 68 Ca -0.06 -0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.23 2axg s THR 68 Cb -0.02 -0.83 -0.03 0.00 -1.51 0.00 0.00 72.50 70.11 2axg s THR 68 CO -0.03 -0.00 1.23 -1.83 -2.21 0.00 0.00 174.62 171.78 2axg s GLU 69 N 0.29 2.90 -0.06 7.08 -1.05 -1.26 -0.25 118.70 126.36 2axg s GLU 69 Ca -0.00 1.89 -0.29 0.00 -0.15 0.00 0.00 54.97 56.41 2axg s GLU 69 Cb -0.04 -1.93 0.10 0.00 -0.44 0.00 0.00 34.13 31.82 2axg s GLU 69 CO 0.01 -1.27 0.85 -0.59 0.95 0.00 0.00 175.26 175.21 2axg s PHE 70 N -1.54 -0.45 -0.33 4.83 -0.71 -0.12 -4.76 117.98 114.91 2axg s PHE 70 Ca 0.78 0.60 0.00 0.00 -1.04 0.00 0.00 56.93 57.27 2axg s PHE 70 Cb -0.32 0.48 0.08 0.00 -1.21 0.00 0.00 43.02 42.04 2axg s PHE 70 CO 0.35 -0.51 0.04 0.99 -1.34 0.00 0.00 175.22 174.74 2axg s THR 71 N -1.97 2.72 0.89 -4.49 2.01 -1.26 0.43 115.64 113.97 2axg s THR 71 Ca -0.02 -1.82 -0.12 0.00 0.31 0.00 0.00 61.69 60.05 2axg s THR 71 Cb -0.01 -2.75 0.08 0.00 0.01 0.00 0.00 72.50 69.84 2axg s THR 71 CO -0.01 -0.34 0.83 -2.65 -0.69 0.00 0.00 174.62 171.76 2axg n PRO 72 N 4.49 -0.20 -3.94 4.92 -0.02 -1.25 -4.73 135.00 134.28 2axg n PRO 72 Ca -0.07 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.33 2axg n PRO 72 Cb 0.42 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 2axg n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2axg s THR 73 N -2.38 0.00 0.16 3.45 -4.23 -1.26 -0.32 115.64 111.06 2axg s THR 73 Ca 0.64 -1.23 0.06 0.00 -1.18 0.00 0.00 61.69 59.98 2axg s THR 73 Cb -0.25 -2.18 -0.17 0.00 1.34 0.00 0.00 72.50 71.25 2axg s THR 73 CO 0.60 0.00 1.36 -0.08 -0.54 0.00 0.00 174.62 175.96 2axg h GLU 74 N 2.13 0.06 0.00 3.99 4.57 -1.97 -3.37 114.58 119.98 2axg h GLU 74 Ca -0.24 -0.08 -0.13 0.00 -1.18 0.00 0.00 59.36 57.73 2axg h GLU 74 Cb 1.25 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.85 2axg h GLU 74 CO 0.31 0.93 -0.79 0.87 -1.18 0.00 0.00 179.01 179.15 2axg h LYS 75 N 0.03 0.00 -6.41 1.92 1.57 -2.02 -3.47 116.57 108.19 2axg h LYS 75 Ca -0.03 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.12 2axg h LYS 75 Cb 1.59 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.97 2axg h LYS 75 CO 0.13 0.78 0.50 -0.25 -0.57 0.00 0.00 179.45 180.04 2axg n ASP 76 N -4.52 2.08 -4.68 0.86 8.00 -1.26 -4.99 116.55 112.04 2axg n ASP 76 Ca -0.21 1.12 -0.32 0.00 0.71 0.00 0.00 54.79 56.09 2axg n ASP 76 Cb 0.53 -1.30 -0.09 0.00 -0.02 0.00 0.00 41.12 40.24 2axg n ASP 76 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 2axg s GLU 77 N 0.10 2.76 0.12 -1.24 -1.05 -1.26 -4.71 118.70 113.43 2axg s GLU 77 Ca 0.76 -0.63 0.05 0.00 -0.15 0.00 0.00 54.97 55.00 2axg s GLU 77 Cb -0.80 -2.66 -0.04 0.00 -0.44 0.00 0.00 34.13 30.20 2axg s GLU 77 CO 0.47 0.62 -0.12 0.71 0.95 0.00 0.00 175.26 177.89 2axg s TYR 78 N -1.11 1.30 0.10 4.83 2.02 -1.26 -1.03 117.35 122.20 2axg s TYR 78 Ca 0.20 -0.62 -0.27 0.00 -0.37 0.00 0.00 57.07 56.01 2axg s TYR 78 Cb -0.12 -0.68 0.08 0.00 -0.40 0.00 0.00 41.96 40.85 2axg s TYR 78 CO 0.11 0.11 1.01 0.00 -1.57 0.00 0.00 175.55 175.21 2axg s ALA 79 N -2.51 -1.78 -0.08 3.71 0.00 -0.87 -0.40 121.76 119.83 2axg s ALA 79 Ca 0.10 0.35 0.05 0.00 0.00 0.00 0.00 51.96 52.46 2axg s ALA 79 Cb -0.03 0.55 -0.00 0.00 0.00 0.00 0.00 23.12 23.64 2axg s ALA 79 CO 0.02 -1.00 -0.23 0.00 0.00 0.00 0.00 175.76 174.56 2axg s ARG 81 N 0.18 3.38 -0.07 0.00 3.52 0.17 -1.14 118.95 125.00 2axg s ARG 81 Ca -0.12 -0.62 0.06 0.00 -0.13 0.00 0.00 55.73 54.91 2axg s ARG 81 Cb -0.16 -3.02 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 2axg s ARG 81 CO 0.06 -0.20 -0.24 0.08 -0.81 0.00 0.00 175.30 174.19 2axg s VAL 82 N 1.48 2.10 -0.02 7.11 1.01 0.55 -0.75 120.40 131.87 2axg s VAL 82 Ca 0.06 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.04 2axg s VAL 82 Cb -0.14 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.46 2axg s VAL 82 CO -0.03 0.57 -0.16 0.21 0.00 0.00 0.00 175.10 175.69 2axg s ASN 83 N -0.08 1.93 0.13 3.32 3.04 0.27 -0.03 114.94 123.52 2axg s ASN 83 Ca -0.06 -0.30 -0.10 0.00 0.04 0.00 0.00 52.86 52.44 2axg s ASN 83 Cb -0.14 -0.32 0.00 0.00 -1.54 0.00 0.00 41.25 39.24 2axg s ASN 83 CO 0.05 0.18 0.27 -2.28 -3.04 0.00 0.00 177.10 172.28 2axg s HIS 84 N -0.23 0.22 0.49 0.43 2.46 -1.26 -1.02 115.29 116.38 2axg s HIS 84 Ca 0.03 -0.60 0.19 0.00 0.47 0.00 0.00 55.06 55.14 2axg s HIS 84 Cb -0.08 -0.00 1.27 0.00 -0.13 0.00 0.00 32.58 33.64 2axg s HIS 84 CO 0.00 -0.66 2.10 -0.24 -2.47 0.00 0.00 174.74 173.47 2axg h VAL 85 N 2.58 0.93 0.00 0.89 3.04 -1.95 -1.25 116.25 120.49 2axg h VAL 85 Ca -0.33 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2axg h VAL 85 Cb 1.22 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 2axg h VAL 85 CO 0.50 0.08 0.00 0.35 -1.01 0.00 0.00 177.57 177.50 2axg n THR 86 N -4.25 0.11 -4.20 3.17 -2.24 -1.26 -4.72 114.28 100.88 2axg n THR 86 Ca -0.03 0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 2axg n THR 86 Cb 0.16 -0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 67.66 2axg n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2axg s LEU 87 N -2.36 3.11 0.39 3.22 1.43 -0.47 -4.95 118.68 119.05 2axg s LEU 87 Ca 0.30 -0.24 0.20 0.00 -1.03 0.00 0.00 54.13 53.36 2axg s LEU 87 Cb 0.18 -1.77 0.71 0.00 0.03 0.00 0.00 46.19 45.34 2axg s LEU 87 CO 0.36 0.08 1.74 0.77 0.23 0.00 0.00 176.35 179.54 2axg h SER 88 N 7.34 0.00 -4.38 2.29 4.64 -1.84 -3.43 113.55 118.16 2axg h SER 88 Ca -0.35 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.79 2axg h SER 88 Cb 1.18 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.03 2axg h SER 88 CO 0.61 0.34 -0.64 -1.58 -0.87 0.00 0.00 176.83 174.69 2axg s GLN 89 N -3.60 0.23 0.33 4.77 2.00 -1.26 -5.13 119.66 117.01 2axg s GLN 89 Ca 0.00 -0.23 -0.28 0.00 -2.00 0.00 0.00 55.36 52.85 2axg s GLN 89 Cb 0.11 0.09 -0.12 0.00 0.80 0.00 0.00 33.01 33.88 2axg s GLN 89 CO 0.68 -0.04 1.31 -2.30 -0.50 0.00 0.00 175.29 174.43 2axg n PRO 90 N 2.27 2.14 -3.74 1.67 -0.02 -1.26 -4.94 135.00 131.13 2axg n PRO 90 Ca -0.18 0.75 -0.36 0.00 -2.02 0.00 0.00 63.50 61.70 2axg n PRO 90 Cb 0.57 -2.34 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 2axg n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2axg s LYS 91 N -1.77 4.04 -0.11 -0.52 2.20 0.96 -4.91 119.74 119.63 2axg s LYS 91 Ca 0.56 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.99 2axg s LYS 91 Cb -0.57 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.35 2axg s LYS 91 CO 0.61 0.40 -0.06 0.42 -0.36 0.00 0.00 175.35 176.36 2axg s ILE 92 N 0.06 3.72 -0.09 5.43 -1.09 -1.26 -0.33 121.20 127.64 2axg s ILE 92 Ca 0.10 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 58.07 2axg s ILE 92 Cb -0.11 -2.57 0.03 0.00 -1.58 0.00 0.00 42.46 38.22 2axg s ILE 92 CO -0.00 0.55 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.54 2axg s VAL 93 N -0.22 0.67 0.42 2.92 1.01 -0.29 -4.98 120.40 119.92 2axg s VAL 93 Ca 0.03 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 2axg s VAL 93 Cb -0.13 -0.77 -0.11 0.00 0.00 0.00 0.00 36.38 35.38 2axg s VAL 93 CO 0.03 0.31 0.95 -0.54 0.00 0.00 0.00 175.10 175.84 2axg s LYS 94 N 1.85 4.27 0.02 2.72 1.02 -1.26 -0.19 119.74 128.16 2axg s LYS 94 Ca 0.05 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.88 2axg s LYS 94 Cb -0.12 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 2axg s LYS 94 CO -0.07 0.00 1.08 -0.46 -0.92 0.00 0.00 175.35 174.98 2axg s TRP 95 N -2.12 3.55 -0.22 3.18 -0.00 0.47 -4.84 118.94 118.95 2axg s TRP 95 Ca 0.61 1.51 0.01 0.00 -0.00 0.00 0.00 56.10 58.24 2axg s TRP 95 Cb -0.10 -3.26 0.05 0.00 -0.00 0.00 0.00 33.47 30.16 2axg s TRP 95 CO 0.14 -0.58 -0.10 0.34 -0.00 0.00 0.00 176.95 176.75 2axg s ASP 96 N 1.05 3.78 0.00 5.86 -1.08 -1.26 -4.77 116.67 120.25 2axg s ASP 96 Ca 0.55 -1.08 0.01 0.00 -0.52 0.00 0.00 52.55 51.51 2axg s ASP 96 Cb -0.24 -1.32 0.07 0.00 -1.46 0.00 0.00 42.92 39.97 2axg s ASP 96 CO 0.28 -0.17 0.77 -2.11 0.52 0.00 0.00 175.17 174.46 2axg n ARG 97 N 4.61 0.03 -0.43 4.34 1.85 -1.26 -0.79 116.66 125.00 2axg n ARG 97 Ca -0.14 0.20 0.08 0.00 -1.00 0.00 0.00 57.85 56.99 2axg n ARG 97 Cb 0.45 -1.50 0.25 0.00 -1.05 0.00 0.00 32.46 30.61 2axg n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2axg n ASP 98 N -1.21 3.88 0.00 2.89 8.00 -1.26 -4.87 116.55 123.97 2axg n ASP 98 Ca 0.01 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.76 2axg n ASP 98 Cb 0.01 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 2axg n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04