#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l6v s LYS 6 N 0.00 1.79 0.00 -1.24 -2.85 -1.26 -2.69 119.74 113.50 1l6v s LYS 6 Ca 0.00 -1.61 0.03 0.00 -1.00 0.00 0.00 55.97 53.39 1l6v s LYS 6 Cb 0.00 -1.89 -0.01 0.00 -2.06 0.00 0.00 37.83 33.87 1l6v s LYS 6 CO 0.00 0.36 -0.10 0.96 0.10 0.00 0.00 175.35 176.67 1l6v s ILE 7 N -2.24 0.81 0.21 3.79 -4.36 0.14 -4.83 121.20 114.72 1l6v s ILE 7 Ca 0.28 -0.55 0.00 0.00 -0.26 0.00 0.00 60.65 60.12 1l6v s ILE 7 Cb -0.06 -0.70 -0.04 0.00 1.25 0.00 0.00 42.46 42.91 1l6v s ILE 7 CO 0.15 0.15 0.38 -0.89 0.24 0.00 0.00 174.94 174.97 1l6v s THR 8 N -0.39 5.22 0.05 8.37 2.01 -1.26 0.22 115.64 129.85 1l6v s THR 8 Ca 0.03 -0.48 -0.05 0.00 0.31 0.00 0.00 61.69 61.49 1l6v s THR 8 Cb -0.05 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 1l6v s THR 8 CO -0.00 -0.20 0.09 -0.69 -0.69 0.00 0.00 174.62 173.13 1l6v s VAL 9 N -1.89 0.14 -0.10 3.82 1.01 -0.54 0.21 120.40 123.05 1l6v s VAL 9 Ca 0.37 -1.19 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1l6v s VAL 9 Cb -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.24 1l6v s VAL 9 CO 0.29 -0.66 -0.24 -1.00 0.00 0.00 0.00 175.10 173.50 1l6v s HIS 10 N -2.94 2.57 -0.16 5.22 3.76 0.62 -0.97 115.29 123.40 1l6v s HIS 10 Ca -0.02 -1.08 -0.04 0.00 -0.15 0.00 0.00 55.06 53.77 1l6v s HIS 10 Cb 0.01 -1.72 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 1l6v s HIS 10 CO -0.06 -0.44 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.29 1l6v s PHE 11 N 0.40 3.02 0.25 1.40 0.40 -1.11 0.18 117.98 122.51 1l6v s PHE 11 Ca -0.18 -0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 55.68 1l6v s PHE 11 Cb -0.18 -1.96 -0.08 0.00 0.51 0.00 0.00 43.02 41.31 1l6v s PHE 11 CO 0.08 -0.05 0.67 0.42 0.70 0.00 0.00 175.22 177.03 1l6v s ILE 12 N 0.39 4.72 0.00 0.64 1.01 0.26 0.67 121.20 128.89 1l6v s ILE 12 Ca -0.04 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1l6v s ILE 12 Cb -0.14 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1l6v s ILE 12 CO 0.03 0.03 0.00 -3.20 0.00 0.00 0.00 174.94 171.80 1l6v n ASN 13 N 0.20 0.00 0.00 3.58 5.15 -1.26 -4.52 115.26 118.41 1l6v n ASN 13 Ca -0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1l6v n ASN 13 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.77 1l6v n ASN 13 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1l6v n ARG 14 N 0.00 0.55 0.00 1.20 1.74 -1.26 -4.40 116.66 114.50 1l6v n ARG 14 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1l6v n ARG 14 Cb 0.00 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1l6v n ARG 14 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1l6v n ASP 15 N -2.14 0.00 -0.04 0.55 9.92 -1.26 -4.50 116.55 119.09 1l6v n ASP 15 Ca 0.00 0.59 0.06 0.00 -0.53 0.00 0.00 54.79 54.91 1l6v n ASP 15 Cb 0.38 -0.29 -0.06 0.00 -0.64 0.00 0.00 41.12 40.50 1l6v n ASP 15 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1l6v n GLY 16 N 0.41 -0.12 1.75 0.44 0.00 -1.26 -5.07 105.19 101.34 1l6v n GLY 16 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1l6v n GLY 16 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1l6v n GLU 17 N -1.13 -0.69 0.00 1.61 0.28 -1.26 -4.84 120.64 114.60 1l6v n GLU 17 Ca 0.03 0.66 0.00 0.00 -0.16 0.00 0.00 57.16 57.68 1l6v n GLU 17 Cb 0.20 -0.46 0.00 0.00 1.43 0.00 0.00 31.44 32.60 1l6v n GLU 17 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1l6v n THR 18 N 1.89 0.00 0.00 3.84 -1.04 -0.97 -4.59 114.28 113.42 1l6v n THR 18 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1l6v n THR 18 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1l6v n THR 18 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1l6v n LEU 19 N 0.00 0.00 0.00 -4.42 7.99 3.08 -4.63 117.00 119.02 1l6v n LEU 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1l6v n LEU 19 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1l6v n LEU 19 CO 0.00 -0.25 0.00 0.41 -1.51 0.00 0.00 177.39 176.04 1l6v n THR 20 N -0.39 0.00 -3.65 -5.08 -1.04 -1.26 -2.76 114.28 100.10 1l6v n THR 20 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1l6v n THR 20 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 1l6v n THR 20 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1l6v s THR 21 N -2.00 0.00 -0.02 12.58 -1.32 -0.14 -4.77 115.64 119.97 1l6v s THR 21 Ca 0.00 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.22 1l6v s THR 21 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1l6v s THR 21 CO 0.00 0.00 0.82 -0.54 -2.21 0.00 0.00 174.62 172.69 1l6v s LYS 22 N 0.33 4.50 0.50 7.08 1.02 -1.26 -1.47 119.74 130.43 1l6v s LYS 22 Ca 0.03 1.12 0.02 0.00 0.02 0.00 0.00 55.97 57.16 1l6v s LYS 22 Cb -0.04 -3.43 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1l6v s LYS 22 CO -0.13 0.07 0.02 0.20 -0.92 0.00 0.00 175.35 174.59 1l6v s GLY 23 N 0.68 2.97 -0.06 -3.33 0.00 0.59 -4.90 107.32 103.26 1l6v s GLY 23 Ca 0.43 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.66 1l6v s GLY 23 CO 0.23 -2.16 -0.17 0.54 0.00 0.00 0.00 173.10 171.54 1l6v s LYS 24 N -3.85 1.98 -0.46 2.90 1.02 -1.26 0.24 119.74 120.30 1l6v s LYS 24 Ca 0.09 -0.59 -0.28 0.00 0.02 0.00 0.00 55.97 55.20 1l6v s LYS 24 Cb 0.02 -1.64 -0.09 0.00 -0.52 0.00 0.00 37.83 35.61 1l6v s LYS 24 CO 0.05 0.16 2.37 1.51 -0.92 0.00 0.00 175.35 178.52 1l6v n ILE 25 N 3.43 0.05 0.00 2.17 3.06 -1.09 0.10 119.36 127.08 1l6v n ILE 25 Ca -0.20 -0.58 0.00 0.00 -2.50 0.00 0.00 62.75 59.48 1l6v n ILE 25 Cb 0.53 -2.37 0.00 0.00 0.54 0.00 0.00 39.64 38.33 1l6v n ILE 25 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1l6v n GLY 26 N 6.08 1.49 3.13 4.50 0.00 -1.25 -4.92 105.19 114.22 1l6v n GLY 26 Ca 0.39 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.05 1l6v n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1l6v n ASP 27 N 0.00 -2.88 -1.61 1.61 3.85 0.12 -4.59 116.55 113.04 1l6v n ASP 27 Ca 0.00 -0.03 0.00 0.00 -0.71 0.00 0.00 54.79 54.05 1l6v n ASP 27 Cb 0.00 -0.74 0.00 0.00 -1.35 0.00 0.00 41.12 39.03 1l6v n ASP 27 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1l6v n SER 28 N 1.11 0.00 -4.86 -1.12 7.64 -1.26 -3.82 113.62 111.30 1l6v n SER 28 Ca -0.01 -0.75 -0.31 0.00 1.01 0.00 0.00 58.87 58.81 1l6v n SER 28 Cb 0.68 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.89 1l6v n SER 28 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1l6v s LEU 29 N 0.00 3.24 -1.71 -3.43 0.05 -1.26 -3.75 118.68 111.82 1l6v s LEU 29 Ca 0.00 1.46 -0.12 0.00 0.05 0.00 0.00 54.13 55.52 1l6v s LEU 29 Cb 0.00 -4.48 0.12 0.00 -2.05 0.00 0.00 46.19 39.78 1l6v s LEU 29 CO 0.00 -0.94 0.33 0.18 -0.55 0.00 0.00 176.35 175.37 1l6v n LEU 30 N -2.74 -0.98 0.00 1.48 4.77 -1.26 -4.89 117.00 113.37 1l6v n LEU 30 Ca 0.06 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.80 1l6v n LEU 30 Cb 0.54 -1.64 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1l6v n LEU 30 CO 0.57 0.29 0.00 0.47 -1.33 0.00 0.00 177.39 177.39 1l6v n ASP 31 N -2.68 1.44 0.00 -1.43 9.92 -1.25 -4.64 116.55 117.91 1l6v n ASP 31 Ca -0.10 -0.41 0.00 0.00 -0.53 0.00 0.00 54.79 53.75 1l6v n ASP 31 Cb 0.57 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.05 1l6v n ASP 31 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1l6v n VAL 32 N -0.11 0.00 0.00 2.53 0.31 -1.26 -3.92 118.33 115.87 1l6v n VAL 32 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1l6v n VAL 32 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1l6v n VAL 32 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1l6v n VAL 33 N 0.00 0.00 -0.29 2.52 3.14 -1.26 -0.30 118.33 122.15 1l6v n VAL 33 Ca 0.00 1.30 0.10 0.00 -2.96 0.00 0.00 64.34 62.78 1l6v n VAL 33 Cb 0.00 -1.83 0.26 0.00 -1.06 0.00 0.00 33.84 31.21 1l6v n VAL 33 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1l6v h VAL 34 N 0.00 0.50 -1.57 1.55 2.07 -1.82 1.47 116.25 118.46 1l6v h VAL 34 Ca 0.00 -0.13 0.51 0.00 0.82 0.00 0.00 66.70 67.90 1l6v h VAL 34 Cb 0.00 0.10 -0.12 0.00 -1.52 0.00 0.00 31.29 29.75 1l6v h VAL 34 CO 0.00 0.07 1.05 -0.61 0.02 0.00 0.00 177.57 178.10 1l6v h GLN 35 N 0.37 0.01 0.00 1.57 -0.00 -0.88 0.78 115.11 116.95 1l6v h GLN 35 Ca 0.50 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.15 1l6v h GLN 35 Cb 0.91 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.39 1l6v h GLN 35 CO -0.51 0.00 -1.31 -1.71 0.00 0.00 0.00 178.83 175.30 1l6v n ASN 36 N -4.49 3.06 0.00 -0.69 2.85 0.15 -4.98 115.26 111.17 1l6v n ASN 36 Ca 0.42 -0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.85 1l6v n ASN 36 Cb 1.70 1.34 0.00 0.00 1.24 0.00 0.00 39.78 44.06 1l6v n ASN 36 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1l6v n ASN 37 N -1.74 -1.80 -4.15 1.20 5.15 0.46 -4.99 115.26 109.39 1l6v n ASN 37 Ca -0.01 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.59 1l6v n ASN 37 Cb 0.20 -0.42 0.02 0.00 -0.53 0.00 0.00 39.78 39.05 1l6v n ASN 37 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1l6v n LEU 38 N 0.00 -4.60 -0.38 1.20 -0.00 -0.77 -4.75 117.00 107.69 1l6v n LEU 38 Ca 0.00 0.47 -0.10 0.00 -0.00 0.00 0.00 56.01 56.38 1l6v n LEU 38 Cb 0.19 -0.81 -0.08 0.00 -0.00 0.00 0.00 43.42 42.71 1l6v n LEU 38 CO 0.00 -5.28 0.45 -0.67 -0.00 0.00 0.00 177.39 171.88 1l6v n ASP 39 N 2.90 -0.95 -3.35 1.96 -0.08 -1.26 -4.77 116.55 111.00 1l6v n ASP 39 Ca 0.04 1.63 -0.16 0.00 -1.51 0.00 0.00 54.79 54.79 1l6v n ASP 39 Cb 0.51 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.75 1l6v n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1l6v n ILE 40 N -5.16 -1.95 -1.55 5.18 0.13 -1.26 -4.47 119.36 110.28 1l6v n ILE 40 Ca 0.02 -0.03 -0.15 0.00 -1.10 0.00 0.00 62.75 61.49 1l6v n ILE 40 Cb 0.25 -1.73 -0.10 0.00 -0.84 0.00 0.00 39.64 37.21 1l6v n ILE 40 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1l6v n ASP 41 N -1.40 1.09 0.00 9.51 -0.08 -1.26 -0.16 116.55 124.25 1l6v n ASP 41 Ca -0.19 -1.30 0.00 0.00 -1.51 0.00 0.00 54.79 51.79 1l6v n ASP 41 Cb 0.42 -1.42 0.00 0.00 2.34 0.00 0.00 41.12 42.46 1l6v n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1l6v n GLY 42 N 6.52 4.23 3.14 0.27 0.00 -1.26 -5.01 105.19 113.08 1l6v n GLY 42 Ca 0.51 -0.66 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 1l6v n GLY 42 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1l6v n PHE 43 N 0.00 -0.04 -3.42 1.61 -1.74 0.78 -3.82 117.46 110.83 1l6v n PHE 43 Ca 0.00 0.02 -0.30 0.00 -0.56 0.00 0.00 57.45 56.60 1l6v n PHE 43 Cb 0.00 -1.03 0.03 0.00 1.52 0.00 0.00 39.48 40.01 1l6v n PHE 43 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1l6v n GLY 44 N 1.78 0.07 0.00 4.97 0.00 -1.26 -4.71 105.19 106.05 1l6v n GLY 44 Ca -0.00 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.94 1l6v n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6v n ALA 45 N 0.13 0.00 0.00 4.61 0.00 -1.25 -0.34 120.51 123.67 1l6v n ALA 45 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1l6v n ALA 45 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1l6v n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6v n GLU 47 N 0.00 0.00 0.00 0.00 1.02 0.54 -4.88 120.64 117.32 1l6v n GLU 47 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1l6v n GLU 47 Cb 0.00 -0.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 1l6v n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1l6v n GLY 48 N 0.04 -1.80 2.80 0.62 0.00 -1.24 -4.97 105.19 100.65 1l6v n GLY 48 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1l6v n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1l6v n THR 49 N 0.00 0.00 -0.82 2.61 -1.04 -1.26 -4.55 114.28 109.22 1l6v n THR 49 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1l6v n THR 49 Cb 0.00 -0.24 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 1l6v n THR 49 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1l6v n LEU 50 N 0.00 -3.36 0.00 -4.42 4.77 -1.26 -5.04 117.00 107.69 1l6v n LEU 50 Ca 0.00 1.05 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1l6v n LEU 50 Cb 0.08 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1l6v n LEU 50 CO 0.00 -0.40 0.00 0.00 -1.33 0.00 0.00 177.39 175.66 1l6v n ALA 51 N 0.26 0.00 -3.75 -1.18 0.00 -1.26 -5.07 120.51 109.51 1l6v n ALA 51 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1l6v n ALA 51 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1l6v n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l6v n SER 53 N -1.65 0.54 -3.59 0.00 3.41 -1.26 -4.86 113.62 106.22 1l6v n SER 53 Ca -0.01 -1.25 -0.38 0.00 -0.26 0.00 0.00 58.87 56.97 1l6v n SER 53 Cb 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1l6v n SER 53 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1l6v n THR 54 N -0.12 5.28 0.01 6.66 -2.24 -1.26 -4.29 114.28 118.31 1l6v n THR 54 Ca 0.00 -5.88 0.00 0.00 -2.27 0.00 0.00 64.05 55.90 1l6v n THR 54 Cb 0.38 -1.66 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1l6v n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l6v h HIS 56 N 0.00 0.22 -1.62 0.00 -0.00 -1.81 -3.48 115.15 108.47 1l6v h HIS 56 Ca 0.00 -0.14 0.19 0.00 -0.00 0.00 0.00 60.37 60.42 1l6v h HIS 56 Cb 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.34 1l6v h HIS 56 CO 0.00 1.03 -0.31 1.28 -0.00 0.00 0.00 177.93 179.93 1l6v n LEU 57 N -4.47 -0.38 -4.55 2.43 4.32 -1.26 -4.75 117.00 108.35 1l6v n LEU 57 Ca -0.11 0.83 -0.52 0.00 -0.02 0.00 0.00 56.01 56.20 1l6v n LEU 57 Cb 0.56 -2.21 -0.05 0.00 -1.62 0.00 0.00 43.42 40.09 1l6v n LEU 57 CO 0.39 -1.83 0.68 -0.38 -1.22 0.00 0.00 177.39 175.03 1l6v n ILE 58 N -2.83 0.50 -3.95 -0.08 5.41 0.13 -3.53 119.36 115.01 1l6v n ILE 58 Ca -0.00 -0.13 -0.28 0.00 1.00 0.00 0.00 62.75 63.35 1l6v n ILE 58 Cb 0.33 -0.57 -0.17 0.00 -0.71 0.00 0.00 39.64 38.52 1l6v n ILE 58 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1l6v s PHE 59 N -0.01 1.65 -0.09 1.39 0.40 -0.56 -2.92 117.98 117.85 1l6v s PHE 59 Ca 0.80 -0.85 -0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1l6v s PHE 59 Cb -0.99 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 1l6v s PHE 59 CO 0.52 -0.55 0.35 0.39 0.70 0.00 0.00 175.22 176.63 1l6v n GLU 60 N 4.88 0.00 -0.11 0.44 1.02 -1.26 -3.78 120.64 121.82 1l6v n GLU 60 Ca -0.14 0.00 0.26 0.00 -0.02 0.00 0.00 57.16 57.26 1l6v n GLU 60 Cb 0.50 -0.24 0.58 0.00 -0.02 0.00 0.00 31.44 32.26 1l6v n GLU 60 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1l6v h GLN 61 N 1.48 0.00 0.00 3.49 3.07 -1.79 3.33 115.11 124.69 1l6v h GLN 61 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1l6v h GLN 61 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1l6v h GLN 61 CO 0.18 0.00 0.00 1.58 0.09 0.00 0.00 178.83 180.68 1l6v n HIS 62 N -3.45 0.00 -0.03 0.06 -0.00 -1.26 -0.15 115.22 110.38 1l6v n HIS 62 Ca 0.18 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.29 1l6v n HIS 62 Cb 1.19 -0.15 -0.02 0.00 -0.12 0.00 0.00 29.99 30.89 1l6v n HIS 62 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1l6v n ILE 63 N -1.15 0.34 0.10 3.57 2.08 1.10 -4.62 119.36 120.78 1l6v n ILE 63 Ca 0.10 -0.09 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 1l6v n ILE 63 Cb 0.09 -1.52 -0.05 0.00 -0.75 0.00 0.00 39.64 37.41 1l6v n ILE 63 CO 0.00 0.00 0.00 0.15 0.56 0.00 0.00 176.55 177.26 1l6v h PHE 64 N -0.21 -0.32 -0.51 1.39 3.57 -1.37 -3.15 116.94 116.35 1l6v h PHE 64 Ca -0.16 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.48 1l6v h PHE 64 Cb 1.14 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 1l6v h PHE 64 CO -0.02 -0.05 0.91 1.05 -2.23 0.00 0.00 178.31 177.98 1l6v h GLU 65 N -1.02 0.00 -1.99 1.11 -0.00 -0.57 0.40 114.58 112.52 1l6v h GLU 65 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.22 1l6v h GLU 65 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.12 1l6v h GLU 65 CO 0.06 0.00 -0.15 1.63 -0.00 0.00 0.00 179.01 180.54 1l6v n LYS 66 N -3.07 1.50 -3.39 1.06 5.02 -1.19 -4.57 118.16 113.53 1l6v n LYS 66 Ca 0.11 -0.54 -0.14 0.00 -2.02 0.00 0.00 58.31 55.72 1l6v n LYS 66 Cb 1.08 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 34.51 1l6v n LYS 66 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1l6v s LEU 67 N -0.10 -0.42 -1.20 -0.35 2.34 0.13 -5.03 118.68 114.04 1l6v s LEU 67 Ca 0.32 -0.33 -0.05 0.00 0.06 0.00 0.00 54.13 54.13 1l6v s LEU 67 Cb 0.16 0.76 0.21 0.00 -0.56 0.00 0.00 46.19 46.76 1l6v s LEU 67 CO -0.01 -0.35 2.02 -1.84 -1.06 0.00 0.00 176.35 175.11 1l6v n GLU 68 N 5.33 4.64 -3.17 1.48 0.28 -1.26 -4.77 120.64 123.17 1l6v n GLU 68 Ca -0.03 -3.96 0.05 0.00 -0.16 0.00 0.00 57.16 53.07 1l6v n GLU 68 Cb 0.48 -2.62 -0.02 0.00 1.43 0.00 0.00 31.44 30.71 1l6v n GLU 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1l6v s ALA 69 N -1.98 -3.56 -0.30 -1.84 0.00 -1.26 -5.16 121.76 107.66 1l6v s ALA 69 Ca 0.44 1.49 -0.16 0.00 0.00 0.00 0.00 51.96 53.72 1l6v s ALA 69 Cb 0.15 -2.48 0.18 0.00 0.00 0.00 0.00 23.12 20.97 1l6v s ALA 69 CO -0.06 -1.33 1.12 -1.50 0.00 0.00 0.00 175.76 173.98 1l6v s ILE 70 N 2.73 -0.15 0.32 0.00 2.07 -1.26 -5.02 121.20 119.88 1l6v s ILE 70 Ca -0.05 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.08 1l6v s ILE 70 Cb -0.07 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.53 1l6v s ILE 70 CO -0.11 0.00 0.58 -0.89 -1.91 0.00 0.00 174.94 172.61 1l6v s THR 71 N 1.72 0.00 0.52 4.00 2.01 -1.26 -4.93 115.64 117.69 1l6v s THR 71 Ca -0.05 -1.34 0.45 0.00 0.31 0.00 0.00 61.69 61.06 1l6v s THR 71 Cb -0.03 -2.50 0.67 0.00 0.01 0.00 0.00 72.50 70.65 1l6v s THR 71 CO -0.15 0.00 1.53 -0.67 -0.69 0.00 0.00 174.62 174.64 1l6v n ASP 72 N -0.98 0.05 0.02 3.53 2.03 -1.26 0.16 116.55 120.11 1l6v n ASP 72 Ca -0.03 1.07 -0.11 0.00 0.52 0.00 0.00 54.79 56.24 1l6v n ASP 72 Cb 0.61 -0.53 -0.09 0.00 -0.72 0.00 0.00 41.12 40.39 1l6v n ASP 72 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1l6v h GLU 73 N 0.00 -0.14 0.59 -0.67 4.81 -1.98 -2.90 114.58 114.29 1l6v h GLU 73 Ca 0.91 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 60.12 1l6v h GLU 73 Cb 3.47 0.03 0.01 0.00 0.63 0.00 0.00 28.75 32.89 1l6v h GLU 73 CO -0.13 0.36 -0.28 1.49 -0.73 0.00 0.00 179.01 179.72 1l6v h GLU 74 N -0.81 -0.76 0.00 1.92 4.57 0.12 -3.26 114.58 116.36 1l6v h GLU 74 Ca -0.01 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1l6v h GLU 74 Cb 0.57 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 1l6v h GLU 74 CO 0.02 -0.48 0.00 0.09 -1.18 0.00 0.00 179.01 177.47 1l6v n ASN 75 N -5.40 0.00 0.00 1.04 5.03 0.16 -4.70 115.26 111.39 1l6v n ASN 75 Ca -0.13 0.88 0.00 0.00 0.87 0.00 0.00 54.58 56.21 1l6v n ASN 75 Cb 0.34 -0.38 0.00 0.00 -1.02 0.00 0.00 39.78 38.71 1l6v n ASN 75 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1l6v n ASP 76 N -2.47 0.00 -0.07 6.41 -0.08 -1.09 -3.40 116.55 115.84 1l6v n ASP 76 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1l6v n ASP 76 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1l6v n ASP 76 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1l6v n MET 77 N 0.00 0.37 0.00 -0.67 2.81 -1.26 -4.86 117.12 113.50 1l6v n MET 77 Ca 0.00 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1l6v n MET 77 Cb 0.00 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 1l6v n MET 77 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1l6v n LEU 78 N -2.93 0.00 0.00 4.03 4.32 -1.22 -4.62 117.00 116.58 1l6v n LEU 78 Ca -0.26 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.73 1l6v n LEU 78 Cb 0.78 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1l6v n LEU 78 CO 0.15 0.00 0.00 -0.67 -1.22 0.00 0.00 177.39 175.65 1l6v n ASP 79 N 0.00 0.00 -2.70 -1.43 -0.08 -1.26 -2.79 116.55 108.29 1l6v n ASP 79 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1l6v n ASP 79 Cb 0.00 0.00 0.11 0.00 2.34 0.00 0.00 41.12 43.57 1l6v n ASP 79 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1l6v n LEU 80 N 0.00 -0.86 -4.52 -2.67 7.94 -1.26 -5.07 117.00 110.55 1l6v n LEU 80 Ca 0.00 -3.28 -0.27 0.00 -1.11 0.00 0.00 56.01 51.35 1l6v n LEU 80 Cb 0.00 0.16 -0.14 0.00 0.53 0.00 0.00 43.42 43.97 1l6v n LEU 80 CO 0.00 1.64 1.91 0.00 -1.11 0.00 0.00 177.39 179.83 1l6v n ALA 81 N -1.06 0.69 -0.91 1.96 0.00 -1.12 -4.60 120.51 115.48 1l6v n ALA 81 Ca -0.08 -0.84 -0.24 0.00 0.00 0.00 0.00 53.44 52.28 1l6v n ALA 81 Cb 0.86 -2.70 -0.09 0.00 0.00 0.00 0.00 19.45 17.51 1l6v n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1l6v n TYR 82 N 11.38 0.31 0.00 0.00 4.02 -1.26 0.24 117.16 131.85 1l6v n TYR 82 Ca 0.58 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 58.68 1l6v n TYR 82 Cb 0.24 -1.35 0.00 0.00 -0.02 0.00 0.00 39.34 38.21 1l6v n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1l6v n GLY 83 N 3.89 1.00 3.65 2.72 0.00 -1.26 -4.75 105.19 110.44 1l6v n GLY 83 Ca 0.40 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.98 1l6v n GLY 83 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1l6v n LEU 84 N 0.00 2.69 0.00 0.99 -0.00 0.67 -4.90 117.00 116.45 1l6v n LEU 84 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 56.01 57.18 1l6v n LEU 84 Cb 0.00 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.04 1l6v n LEU 84 CO 0.00 -0.83 0.00 0.41 -0.00 0.00 0.00 177.39 176.97 1l6v n THR 85 N 0.94 0.00 -2.08 1.47 -1.04 -1.26 -4.94 114.28 107.37 1l6v n THR 85 Ca 0.09 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.09 1l6v n THR 85 Cb 0.32 -0.02 -0.01 0.00 -1.82 0.00 0.00 70.33 68.79 1l6v n THR 85 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1l6v n ASP 86 N -0.14 -0.08 0.00 8.00 8.00 -1.26 -4.91 116.55 126.16 1l6v n ASP 86 Ca 0.00 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.85 1l6v n ASP 86 Cb 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1l6v n ASP 86 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1l6v n ARG 87 N 0.08 0.00 -1.02 -1.24 1.85 -1.26 -3.41 116.66 111.66 1l6v n ARG 87 Ca -0.06 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.48 1l6v n ARG 87 Cb 0.70 -0.48 0.13 0.00 -1.05 0.00 0.00 32.46 31.76 1l6v n ARG 87 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1l6v s SER 88 N -3.90 3.73 -0.30 2.89 0.15 -1.25 -1.49 113.70 113.52 1l6v s SER 88 Ca 0.00 2.05 -0.15 0.00 0.70 0.00 0.00 55.95 58.55 1l6v s SER 88 Cb 0.00 -2.55 0.17 0.00 -1.71 0.00 0.00 66.02 61.93 1l6v s SER 88 CO 0.00 -2.56 1.14 -0.60 1.20 0.00 0.00 173.24 172.42 1l6v s ARG 89 N -4.67 0.10 0.25 5.44 3.00 -1.23 -4.71 118.95 117.13 1l6v s ARG 89 Ca 0.65 0.18 -0.31 0.00 -1.00 0.00 0.00 55.73 55.25 1l6v s ARG 89 Cb -0.21 0.10 -0.11 0.00 0.00 0.00 0.00 34.95 34.73 1l6v s ARG 89 CO 0.56 -0.12 1.58 -1.17 0.00 0.00 0.00 175.30 176.14 1l6v s LEU 90 N 2.97 4.36 0.00 -0.88 2.96 -1.26 -4.49 118.68 122.35 1l6v s LEU 90 Ca -0.02 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 1l6v s LEU 90 Cb -0.08 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1l6v s LEU 90 CO -0.10 -0.86 0.00 0.61 -1.32 0.00 0.00 176.35 174.68 1l6v n GLY 91 N 2.75 0.23 2.10 7.98 0.00 -1.26 -4.96 105.19 112.03 1l6v n GLY 91 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1l6v n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l6v n GLN 93 N -2.10 0.00 -4.40 0.00 10.64 -1.26 -4.35 117.38 115.91 1l6v n GLN 93 Ca -0.14 -0.57 -0.20 0.00 -1.83 0.00 0.00 57.00 54.26 1l6v n GLN 93 Cb 0.47 0.40 -0.14 0.00 -0.86 0.00 0.00 30.24 30.11 1l6v n GLN 93 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1l6v s ILE 94 N 0.00 1.02 0.39 -0.39 1.01 -1.26 -4.96 121.20 117.00 1l6v s ILE 94 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 1l6v s ILE 94 Cb 0.00 -0.90 -0.07 0.00 0.01 0.00 0.00 42.46 41.50 1l6v s ILE 94 CO 0.00 0.08 0.75 0.00 0.00 0.00 0.00 174.94 175.78 1l6v n LEU 96 N -1.17 -1.97 -3.97 0.00 4.77 -1.25 -4.76 117.00 108.65 1l6v n LEU 96 Ca 0.02 -0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 55.67 1l6v n LEU 96 Cb 0.54 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1l6v n LEU 96 CO 0.47 -3.14 0.25 -0.89 -1.33 0.00 0.00 177.39 172.75 1l6v s THR 97 N -2.15 0.00 -0.14 -5.08 2.01 -1.26 -3.78 115.64 105.23 1l6v s THR 97 Ca 0.47 -1.32 0.19 0.00 0.31 0.00 0.00 61.69 61.34 1l6v s THR 97 Cb -0.08 -2.26 0.17 0.00 0.01 0.00 0.00 72.50 70.34 1l6v s THR 97 CO 0.54 0.00 1.58 0.50 -0.69 0.00 0.00 174.62 176.55 1l6v h LYS 98 N 2.18 0.00 -0.38 4.92 3.11 -1.98 -3.14 116.57 121.28 1l6v h LYS 98 Ca -0.25 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 57.44 1l6v h LYS 98 Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.47 1l6v h LYS 98 CO 0.34 0.32 -0.34 0.00 -2.81 0.00 0.00 179.45 176.96 1l6v h ALA 99 N 1.68 0.55 0.00 5.00 0.00 -1.99 -2.30 119.26 122.20 1l6v h ALA 99 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1l6v h ALA 99 Cb 1.14 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1l6v h ALA 99 CO 0.04 0.63 0.00 -1.33 0.00 0.00 0.00 179.25 178.59 1l6v n MET 100 N -4.11 0.61 -1.67 0.00 2.81 -1.19 -4.68 117.12 108.88 1l6v n MET 100 Ca -0.02 0.02 -0.28 0.00 -1.81 0.00 0.00 57.70 55.60 1l6v n MET 100 Cb 0.52 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1l6v n MET 100 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1l6v s ASP 101 N -2.10 4.43 0.00 7.83 -1.08 -0.87 -1.09 116.67 123.79 1l6v s ASP 101 Ca 0.30 0.48 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 1l6v s ASP 101 Cb 0.15 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.08 1l6v s ASP 101 CO 0.26 -3.14 0.00 0.59 0.52 0.00 0.00 175.17 173.40 1l6v n ASN 102 N 16.24 -1.53 -4.91 -0.34 3.02 0.58 -4.89 115.26 123.44 1l6v n ASN 102 Ca 0.38 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.62 1l6v n ASN 102 Cb 0.50 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.24 1l6v n ASN 102 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1l6v s MET 103 N -3.36 3.51 -0.37 3.52 0.23 -0.25 -4.83 119.30 117.75 1l6v s MET 103 Ca 0.00 -0.28 -0.10 0.00 -1.03 0.00 0.00 55.69 54.28 1l6v s MET 103 Cb 0.00 -2.98 0.04 0.00 -1.53 0.00 0.00 34.83 30.36 1l6v s MET 103 CO 0.00 0.57 0.19 0.99 -2.03 0.00 0.00 175.02 174.74 1l6v s THR 104 N -1.53 4.35 -0.04 3.16 2.01 -1.25 0.23 115.64 122.56 1l6v s THR 104 Ca 0.36 -1.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 1l6v s THR 104 Cb -0.13 -3.47 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 1l6v s THR 104 CO 0.25 -0.27 0.40 0.68 -0.69 0.00 0.00 174.62 175.00 1l6v s VAL 105 N 1.50 5.10 -0.06 3.82 -7.23 0.47 -4.27 120.40 119.73 1l6v s VAL 105 Ca 0.01 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 1l6v s VAL 105 Cb -0.20 -3.72 0.02 0.00 0.56 0.00 0.00 36.38 33.05 1l6v s VAL 105 CO 0.05 0.51 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.71 1l6v s ARG 106 N -0.59 0.92 0.35 4.82 3.52 -1.15 0.91 118.95 127.72 1l6v s ARG 106 Ca 0.23 -0.09 -0.27 0.00 -0.13 0.00 0.00 55.73 55.47 1l6v s ARG 106 Cb -0.16 -0.99 -0.09 0.00 -1.56 0.00 0.00 34.95 32.15 1l6v s ARG 106 CO 0.12 -0.15 1.13 0.54 -0.81 0.00 0.00 175.30 176.13 1l6v s VAL 107 N 1.23 3.37 -1.14 7.11 0.11 -1.26 0.19 120.40 130.00 1l6v s VAL 107 Ca -0.06 1.24 0.22 0.00 -2.93 0.00 0.00 61.98 60.45 1l6v s VAL 107 Cb -0.14 -3.73 0.25 0.00 -1.53 0.00 0.00 36.38 31.23 1l6v s VAL 107 CO -0.02 0.19 1.71 -0.81 -3.33 0.00 0.00 175.10 172.84 1l6v n PRO 108 N 0.56 0.11 -2.01 1.54 -0.04 -1.26 -4.91 135.00 128.98 1l6v n PRO 108 Ca 0.02 0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1l6v n PRO 108 Cb 0.46 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.40 1l6v n PRO 108 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1l6v n ASP 109 N -1.43 -1.84 0.00 3.54 8.00 -1.26 -4.80 116.55 118.76 1l6v n ASP 109 Ca 0.07 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.19 1l6v n ASP 109 Cb 0.23 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1l6v n ASP 109 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81