#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 3.00 0.21 -1.24 -2.85 -1.26 -3.55 119.74 114.05 1l6v s LYS 6 Ca 0.00 -1.08 0.02 0.00 -1.00 0.00 0.00 55.97 53.91 1l6v s LYS 6 Cb 0.00 -2.79 -0.05 0.00 -2.06 0.00 0.00 37.83 32.94 1l6v s LYS 6 CO 0.00 -0.08 0.04 0.96 0.10 0.00 0.00 175.35 176.37 1l6v s ILE 7 N -2.26 0.62 0.35 3.79 -5.25 0.55 -4.95 121.20 114.04 1l6v s ILE 7 Ca 0.49 -1.99 0.09 0.00 -0.99 0.00 0.00 60.65 58.25 1l6v s ILE 7 Cb -0.10 -2.32 -0.05 0.00 2.95 0.00 0.00 42.46 42.94 1l6v s ILE 7 CO 0.32 -0.29 0.06 -0.89 -1.79 0.00 0.00 174.94 172.36 1l6v s THR 8 N -3.70 2.65 0.05 8.37 2.01 -1.26 0.21 115.64 123.97 1l6v s THR 8 Ca 0.30 -1.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.26 1l6v s THR 8 Cb 0.07 -2.87 0.03 0.00 0.01 0.00 0.00 72.50 69.74 1l6v s THR 8 CO 0.08 -0.16 0.37 -0.69 -0.69 0.00 0.00 174.62 173.52 1l6v s VAL 9 N -2.52 0.07 -0.16 3.82 1.01 -0.09 0.21 120.40 122.74 1l6v s VAL 9 Ca 0.36 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.77 1l6v s VAL 9 Cb 0.00 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.45 1l6v s VAL 9 CO 0.20 -0.31 -0.02 -1.00 0.00 0.00 0.00 175.10 173.98 1l6v s HIS 10 N -2.67 1.39 -0.32 5.22 3.76 0.78 -1.22 115.29 122.24 1l6v s HIS 10 Ca -0.04 -0.92 -0.11 0.00 -0.15 0.00 0.00 55.06 53.84 1l6v s HIS 10 Cb -0.00 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.50 1l6v s HIS 10 CO -0.04 -0.58 0.18 0.12 -0.85 0.00 0.00 174.74 173.57 1l6v s PHE 11 N 1.74 3.20 -0.48 1.40 5.36 -1.26 0.46 117.98 128.39 1l6v s PHE 11 Ca 0.00 -0.41 -0.27 0.00 -0.96 0.00 0.00 56.93 55.29 1l6v s PHE 11 Cb -0.16 -2.40 0.03 0.00 -0.34 0.00 0.00 43.02 40.16 1l6v s PHE 11 CO -0.07 -0.41 1.05 0.42 -1.46 0.00 0.00 175.22 174.75 1l6v s ILE 12 N 1.66 4.30 0.90 3.12 1.01 -0.00 -1.35 121.20 130.83 1l6v s ILE 12 Ca 0.05 0.97 -0.11 0.00 0.00 0.00 0.00 60.65 61.56 1l6v s ILE 12 Cb -0.17 -4.55 0.13 0.00 0.01 0.00 0.00 42.46 37.88 1l6v s ILE 12 CO 0.08 -0.98 1.12 -3.20 0.00 0.00 0.00 174.94 171.95 1l6v n ASN 13 N 7.63 0.31 0.12 3.58 2.85 -1.26 -3.68 115.26 124.81 1l6v n ASN 13 Ca 0.09 0.44 0.20 0.00 -0.11 0.00 0.00 54.58 55.20 1l6v n ASN 13 Cb 0.49 -1.47 0.75 0.00 1.24 0.00 0.00 39.78 40.79 1l6v n ASN 13 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 1l6v h ARG 14 N -1.73 0.00 0.00 1.20 0.11 -1.91 0.69 114.38 112.73 1l6v h ARG 14 Ca -0.44 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.48 1l6v h ARG 14 Cb 1.28 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.33 1l6v h ARG 14 CO 0.41 0.00 -1.83 -3.47 0.10 0.00 0.00 179.97 175.18 1l6v n ASP 15 N -3.59 0.36 0.00 0.08 -0.08 -1.26 -4.97 116.55 107.09 1l6v n ASP 15 Ca 0.06 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.50 1l6v n ASP 15 Cb 0.59 0.97 0.00 0.00 2.34 0.00 0.00 41.12 45.02 1l6v n ASP 15 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1l6v n GLY 16 N 1.44 1.34 2.81 0.27 0.00 0.24 -5.02 105.19 106.27 1l6v n GLY 16 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 1l6v n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l6v n GLU 17 N -0.89 2.73 -1.13 1.61 1.02 -1.26 -4.58 120.64 118.13 1l6v n GLU 17 Ca 0.00 -2.56 -0.44 0.00 -0.02 0.00 0.00 57.16 54.14 1l6v n GLU 17 Cb 0.00 -3.27 -0.06 0.00 -0.02 0.00 0.00 31.44 28.09 1l6v n GLU 17 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1l6v n THR 18 N 5.27 0.00 -0.11 2.62 -1.04 -1.26 -4.16 114.28 115.60 1l6v n THR 18 Ca 0.52 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 62.30 1l6v n THR 18 Cb 0.40 -0.11 -0.09 0.00 -1.82 0.00 0.00 70.33 68.70 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 1.63 1.90 -1.47 -4.42 7.99 -0.46 -4.94 117.00 117.23 1l6v n LEU 19 Ca 0.17 0.40 0.00 0.00 -0.01 0.00 0.00 56.01 56.57 1l6v n LEU 19 Cb 0.03 -0.88 0.00 0.00 -0.11 0.00 0.00 43.42 42.46 1l6v n LEU 19 CO 0.50 0.28 -0.41 0.41 -1.51 0.00 0.00 177.39 176.66 1l6v n THR 20 N -4.38 -4.93 -3.52 -5.08 -1.04 -1.26 -4.91 114.28 89.17 1l6v n THR 20 Ca -0.37 2.18 -0.17 0.00 -2.04 0.00 0.00 64.05 63.65 1l6v n THR 20 Cb 0.71 -3.00 -0.06 0.00 -1.82 0.00 0.00 70.33 66.16 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 -2.94 0.00 0.33 12.58 -1.32 -0.35 -4.92 115.64 119.01 1l6v s THR 21 Ca 0.00 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.34 1l6v s THR 21 Cb 0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1l6v s THR 21 CO 0.00 0.00 0.73 -1.59 -2.21 0.00 0.00 174.62 171.55 1l6v s LYS 22 N -1.31 3.97 0.06 7.08 -2.85 -1.26 -0.91 119.74 124.53 1l6v s LYS 22 Ca -0.09 0.64 0.00 0.00 -1.00 0.00 0.00 55.97 55.52 1l6v s LYS 22 Cb -0.00 -2.43 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 1l6v s LYS 22 CO 0.08 0.14 -0.04 0.20 0.10 0.00 0.00 175.35 175.83 1l6v s GLY 23 N -2.36 0.54 0.20 0.59 0.00 0.57 -4.89 107.32 101.97 1l6v s GLY 23 Ca 0.54 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 44.18 1l6v s GLY 23 CO 0.19 -1.27 -0.09 0.54 0.00 0.00 0.00 173.10 172.47 1l6v s LYS 24 N -3.50 2.05 -0.07 2.90 1.02 -1.26 0.20 119.74 121.08 1l6v s LYS 24 Ca 0.05 -1.33 -0.29 0.00 0.02 0.00 0.00 55.97 54.42 1l6v s LYS 24 Cb 0.04 -2.12 -0.06 0.00 -0.52 0.00 0.00 37.83 35.17 1l6v s LYS 24 CO -0.07 0.42 1.88 -1.50 -0.92 0.00 0.00 175.35 175.16 1l6v s ILE 25 N -1.84 3.27 0.00 2.17 -1.16 -1.23 -1.78 121.20 120.62 1l6v s ILE 25 Ca 0.26 0.31 0.00 0.00 -0.51 0.00 0.00 60.65 60.71 1l6v s ILE 25 Cb -0.08 -3.24 0.00 0.00 0.61 0.00 0.00 42.46 39.75 1l6v s ILE 25 CO 0.16 -0.07 0.00 0.61 -2.81 0.00 0.00 174.94 172.83 1l6v n GLY 26 N 4.68 1.33 3.69 1.50 0.00 -1.24 -4.91 105.19 110.24 1l6v n GLY 26 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1l6v n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1l6v s ASP 27 N -2.00 5.16 0.18 1.61 2.15 -0.73 -4.70 116.67 118.33 1l6v s ASP 27 Ca 0.00 -0.01 0.03 0.00 0.43 0.00 0.00 52.55 53.01 1l6v s ASP 27 Cb 0.00 -1.35 -0.03 0.00 -0.30 0.00 0.00 42.92 41.24 1l6v s ASP 27 CO 0.00 0.27 0.30 -0.94 -0.17 0.00 0.00 175.17 174.64 1l6v s SER 28 N -1.63 6.31 0.26 -0.34 1.04 -1.26 0.18 113.70 118.26 1l6v s SER 28 Ca 0.20 0.13 -0.09 0.00 0.48 0.00 0.00 55.95 56.67 1l6v s SER 28 Cb -0.12 -1.88 0.41 0.00 0.10 0.00 0.00 66.02 64.53 1l6v s SER 28 CO 0.11 0.01 1.58 0.25 0.98 0.00 0.00 173.24 176.17 1l6v h LEU 29 N 1.83 -0.81 -0.79 2.42 6.46 -1.77 1.70 115.31 124.33 1l6v h LEU 29 Ca -0.50 0.27 0.08 0.00 -0.12 0.00 0.00 57.88 57.61 1l6v h LEU 29 Cb 1.21 0.55 -0.07 0.00 -0.73 0.00 0.00 40.66 41.62 1l6v h LEU 29 CO 0.66 -0.29 0.46 -0.07 -0.62 0.00 0.00 178.44 178.57 1l6v h LEU 30 N 0.00 0.66 0.56 2.25 4.07 -1.78 -0.74 115.31 120.33 1l6v h LEU 30 Ca 0.43 0.04 -0.03 0.00 0.08 0.00 0.00 57.88 58.41 1l6v h LEU 30 Cb 0.67 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.33 1l6v h LEU 30 CO -0.92 0.40 -0.27 0.44 -1.08 0.00 0.00 178.44 177.01 1l6v h ASP 31 N 0.79 -0.63 -0.87 -0.43 3.45 0.19 -0.47 116.42 118.44 1l6v h ASP 31 Ca 0.37 0.02 0.20 0.00 0.43 0.00 0.00 57.03 58.05 1l6v h ASP 31 Cb 0.30 0.16 -0.16 0.00 -0.56 0.00 0.00 39.33 39.07 1l6v h ASP 31 CO -0.23 -0.36 -0.13 0.52 -1.57 0.00 0.00 179.24 177.47 1l6v n VAL 32 N -4.53 -0.36 0.00 -1.35 0.31 0.21 0.34 118.33 112.95 1l6v n VAL 32 Ca -0.09 1.96 0.00 0.00 -0.01 0.00 0.00 64.34 66.20 1l6v n VAL 32 Cb 0.30 -2.76 0.00 0.00 -0.91 0.00 0.00 33.84 30.46 1l6v n VAL 32 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1l6v n VAL 33 N -5.36 0.00 -0.41 2.52 0.31 -0.31 -2.48 118.33 112.60 1l6v n VAL 33 Ca 0.16 1.30 0.39 0.00 -0.01 0.00 0.00 64.34 66.18 1l6v n VAL 33 Cb 0.52 -2.28 0.76 0.00 -0.91 0.00 0.00 33.84 31.93 1l6v n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1l6v h VAL 34 N 0.00 0.31 -0.43 2.52 2.07 0.61 1.90 116.25 123.22 1l6v h VAL 34 Ca 0.00 -0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1l6v h VAL 34 Cb 0.00 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1l6v h VAL 34 CO 0.00 0.00 0.32 1.56 0.02 0.00 0.00 177.57 179.48 1l6v h GLN 35 N 0.01 0.00 0.00 1.57 4.20 0.62 -1.83 115.11 119.68 1l6v h GLN 35 Ca 0.66 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.37 1l6v h GLN 35 Cb 2.60 0.00 0.00 0.00 0.30 0.00 0.00 27.48 30.38 1l6v h GLN 35 CO -0.02 0.00 0.00 -1.71 -0.67 0.00 0.00 178.83 176.43 1l6v n ASN 36 N -4.31 0.90 -1.88 1.46 2.85 0.54 -4.98 115.26 109.83 1l6v n ASN 36 Ca 0.07 -1.30 -0.18 0.00 -0.11 0.00 0.00 54.58 53.07 1l6v n ASN 36 Cb 0.52 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.52 1l6v n ASN 36 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1l6v n ASN 37 N -0.15 -5.14 -4.09 1.20 3.02 0.42 -4.91 115.26 105.61 1l6v n ASN 37 Ca 0.00 0.07 -0.36 0.00 -0.03 0.00 0.00 54.58 54.26 1l6v n ASN 37 Cb 0.22 -4.22 0.04 0.00 -0.61 0.00 0.00 39.78 35.22 1l6v n ASN 37 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1l6v n LEU 38 N -2.42 -5.02 -3.44 3.41 0.00 -0.63 -4.77 117.00 104.12 1l6v n LEU 38 Ca -0.20 0.29 -0.39 0.00 0.00 0.00 0.00 56.01 55.70 1l6v n LEU 38 Cb 0.64 -0.82 -0.00 0.00 0.00 0.00 0.00 43.42 43.24 1l6v n LEU 38 CO 0.25 -5.57 2.18 -0.67 0.00 0.00 0.00 177.39 173.57 1l6v n ASP 39 N 2.89 7.84 -4.57 1.96 -0.08 -1.26 -4.82 116.55 118.51 1l6v n ASP 39 Ca 0.01 -3.25 -0.33 0.00 -1.51 0.00 0.00 54.79 49.70 1l6v n ASP 39 Cb 0.54 -1.32 -0.04 0.00 2.34 0.00 0.00 41.12 42.64 1l6v n ASP 39 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1l6v s ILE 40 N -1.83 3.72 -0.55 5.18 2.07 -1.26 -4.88 121.20 123.65 1l6v s ILE 40 Ca 0.52 -1.07 -0.34 0.00 -1.41 0.00 0.00 60.65 58.35 1l6v s ILE 40 Cb 0.20 -4.70 -0.14 0.00 0.13 0.00 0.00 42.46 37.95 1l6v s ILE 40 CO -0.11 -1.37 2.35 -0.67 -1.91 0.00 0.00 174.94 173.23 1l6v n ASP 41 N 12.11 1.56 0.00 4.50 2.03 -1.26 -0.93 116.55 134.56 1l6v n ASP 41 Ca 0.44 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.96 1l6v n ASP 41 Cb 0.47 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1l6v n ASP 41 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1l6v n GLY 42 N 6.56 2.91 1.26 0.27 0.00 -1.26 -5.07 105.19 109.85 1l6v n GLY 42 Ca 0.48 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.83 1l6v n GLY 42 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1l6v n PHE 43 N 0.00 -3.06 -2.32 1.61 7.35 -0.10 -4.70 117.46 116.24 1l6v n PHE 43 Ca 0.00 1.66 -0.42 0.00 -0.76 0.00 0.00 57.45 57.93 1l6v n PHE 43 Cb 0.00 -2.78 -0.03 0.00 0.35 0.00 0.00 39.48 37.02 1l6v n PHE 43 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1l6v s GLY 44 N -6.64 2.25 0.03 7.13 0.00 -1.26 -4.81 107.32 104.02 1l6v s GLY 44 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 44.72 45.69 1l6v s GLY 44 CO 0.00 2.15 0.04 0.00 0.00 0.00 0.00 173.10 175.30 1l6v n ALA 45 N 3.88 0.07 0.00 3.20 0.00 -1.26 -3.91 120.51 122.48 1l6v n ALA 45 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1l6v n ALA 45 Cb 0.45 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.55 -2.84 0.00 1.02 -1.25 -3.72 120.64 112.29 1l6v n GLU 47 Ca 0.00 1.08 -0.28 0.00 -0.02 0.00 0.00 57.16 57.94 1l6v n GLU 47 Cb 0.00 -5.08 0.03 0.00 -0.02 0.00 0.00 31.44 26.37 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 -1.61 0.14 0.44 0.62 0.00 -1.26 -4.87 105.19 98.65 1l6v n GLY 48 Ca -0.07 0.83 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1l6v n GLY 48 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1l6v n THR 49 N -0.09 0.00 -2.99 2.61 5.66 -1.24 -4.76 114.28 113.47 1l6v n THR 49 Ca -0.06 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.93 1l6v n THR 49 Cb 0.50 0.11 -0.01 0.00 -1.55 0.00 0.00 70.33 69.38 1l6v n THR 49 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1l6v n LEU 50 N 0.00 -5.07 0.00 1.09 4.77 -1.26 -4.91 117.00 111.62 1l6v n LEU 50 Ca 0.00 1.07 0.00 0.00 -0.03 0.00 0.00 56.01 57.05 1l6v n LEU 50 Cb 0.53 -2.12 0.00 0.00 -2.33 0.00 0.00 43.42 39.50 1l6v n LEU 50 CO 0.00 -2.61 0.00 0.00 -1.33 0.00 0.00 177.39 173.45 1l6v n ALA 51 N 1.69 0.00 -0.07 -1.18 0.00 -1.26 -4.94 120.51 114.75 1l6v n ALA 51 Ca -0.07 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1l6v n ALA 51 Cb 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.68 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 -4.14 -5.10 -0.01 0.00 3.41 -1.26 -4.89 113.62 101.63 1l6v n SER 53 Ca -0.05 -0.55 -0.01 0.00 -0.26 0.00 0.00 58.87 58.00 1l6v n SER 53 Cb 0.57 -4.98 -0.02 0.00 -0.26 0.00 0.00 64.21 59.53 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 -4.71 0.13 -1.88 6.66 -2.24 -1.26 -4.49 114.28 106.48 1l6v n THR 54 Ca -0.07 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.21 1l6v n THR 54 Cb 0.59 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 68.00 1l6v n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1l6v s HIS 56 N 0.05 -0.24 0.24 0.00 -3.43 -1.26 -4.61 115.29 106.03 1l6v s HIS 56 Ca 0.62 0.36 0.05 0.00 -0.80 0.00 0.00 55.06 55.29 1l6v s HIS 56 Cb -0.45 0.13 -0.05 0.00 -1.43 0.00 0.00 32.58 30.77 1l6v s HIS 56 CO 0.45 -0.12 -0.05 -0.51 -2.00 0.00 0.00 174.74 172.51 1l6v s LEU 57 N 2.40 2.36 -0.46 5.38 2.01 -1.26 -4.59 118.68 124.51 1l6v s LEU 57 Ca -0.02 -1.17 -0.16 0.00 0.01 0.00 0.00 54.13 52.79 1l6v s LEU 57 Cb -0.04 -0.44 0.06 0.00 0.01 0.00 0.00 46.19 45.78 1l6v s LEU 57 CO -0.14 -0.41 0.40 -0.63 1.01 0.00 0.00 176.35 176.58 1l6v s ILE 58 N -3.23 5.21 -0.15 -0.59 1.09 -0.62 -3.02 121.20 119.89 1l6v s ILE 58 Ca 0.27 -0.91 -0.06 0.00 -1.10 0.00 0.00 60.65 58.85 1l6v s ILE 58 Cb 0.04 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.31 1l6v s ILE 58 CO 0.09 -0.54 0.06 -0.36 -0.10 0.00 0.00 174.94 174.09 1l6v s PHE 59 N 1.74 3.28 -0.47 3.97 0.40 1.00 -3.16 117.98 124.74 1l6v s PHE 59 Ca 0.05 0.16 -0.44 0.00 -0.60 0.00 0.00 56.93 56.11 1l6v s PHE 59 Cb -0.23 -1.98 -0.19 0.00 0.51 0.00 0.00 43.02 41.14 1l6v s PHE 59 CO 0.08 0.32 1.50 0.39 0.70 0.00 0.00 175.22 178.22 1l6v n GLU 60 N 2.92 0.00 -0.02 0.44 1.02 -1.26 -3.76 120.64 119.98 1l6v n GLU 60 Ca -0.18 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.20 1l6v n GLU 60 Cb 0.53 -1.40 0.70 0.00 -0.02 0.00 0.00 31.44 31.24 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 4.72 0.00 0.00 3.49 3.07 -1.85 1.45 115.11 125.99 1l6v h GLN 61 Ca -0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.33 1l6v h GLN 61 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 1l6v h GLN 61 CO 0.92 0.00 0.00 1.58 0.09 0.00 0.00 178.83 181.42 1l6v n HIS 62 N -3.72 0.00 -0.05 0.06 -0.00 -1.26 0.75 115.22 110.99 1l6v n HIS 62 Ca 0.12 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.20 1l6v n HIS 62 Cb 0.85 -0.50 -0.04 0.00 -0.12 0.00 0.00 29.99 30.18 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 -1.50 0.55 0.13 3.57 5.41 0.49 -4.56 119.36 123.45 1l6v n ILE 63 Ca 0.01 -0.14 -0.10 0.00 1.00 0.00 0.00 62.75 63.52 1l6v n ILE 63 Cb 0.07 -1.60 -0.06 0.00 -0.71 0.00 0.00 39.64 37.34 1l6v n ILE 63 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1l6v h PHE 64 N -0.34 -0.37 -0.91 1.39 3.57 -1.19 -3.11 116.94 115.98 1l6v h PHE 64 Ca -0.25 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.50 1l6v h PHE 64 Cb 1.23 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 40.05 1l6v h PHE 64 CO -0.03 -0.06 0.95 1.05 -2.23 0.00 0.00 178.31 177.99 1l6v h GLU 65 N -0.99 0.00 0.00 1.11 -0.00 0.26 2.09 114.58 117.04 1l6v h GLU 65 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1l6v h GLU 65 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.22 1l6v h GLU 65 CO 0.07 0.00 0.03 0.87 -0.00 0.00 0.00 179.01 179.98 1l6v h LYS 66 N 0.00 0.00 -2.30 1.06 1.57 -1.55 -2.65 116.57 112.69 1l6v h LYS 66 Ca 0.43 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.58 1l6v h LYS 66 Cb 2.32 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 34.24 1l6v h LYS 66 CO -0.00 0.00 -0.37 1.28 -0.57 0.00 0.00 179.45 179.79 1l6v n LEU 67 N -2.52 4.46 -3.87 2.94 7.99 0.71 -4.98 117.00 121.73 1l6v n LEU 67 Ca -0.02 -5.49 -0.37 0.00 -0.01 0.00 0.00 56.01 50.12 1l6v n LEU 67 Cb 0.07 -0.73 -0.09 0.00 -0.11 0.00 0.00 43.42 42.56 1l6v n LEU 67 CO 0.13 2.10 1.65 -1.84 -1.51 0.00 0.00 177.39 177.92 1l6v n GLU 68 N 0.55 0.80 -3.24 3.23 0.28 -1.00 -4.65 120.64 116.61 1l6v n GLU 68 Ca 0.31 -1.63 -0.03 0.00 -0.16 0.00 0.00 57.16 55.64 1l6v n GLU 68 Cb 0.39 -3.05 -0.04 0.00 1.43 0.00 0.00 31.44 30.17 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 8.40 -1.71 -0.29 -1.84 0.00 -1.26 -5.13 121.76 119.93 1l6v s ALA 69 Ca 0.67 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 1l6v s ALA 69 Cb 0.10 -2.13 0.18 0.00 0.00 0.00 0.00 23.12 21.27 1l6v s ALA 69 CO 0.21 -1.58 1.15 -1.50 0.00 0.00 0.00 175.76 174.05 1l6v s ILE 70 N 2.68 0.00 0.30 0.00 2.07 -1.26 -5.00 121.20 119.98 1l6v s ILE 70 Ca 0.13 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.21 1l6v s ILE 70 Cb -0.13 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.48 1l6v s ILE 70 CO -0.24 0.00 0.63 -0.89 -1.91 0.00 0.00 174.94 172.53 1l6v s THR 71 N 1.11 0.00 0.43 4.00 2.01 -1.26 -4.93 115.64 117.00 1l6v s THR 71 Ca -0.08 -1.19 0.36 0.00 0.31 0.00 0.00 61.69 61.09 1l6v s THR 71 Cb -0.03 -2.30 0.54 0.00 0.01 0.00 0.00 72.50 70.71 1l6v s THR 71 CO -0.12 0.00 1.35 -0.67 -0.69 0.00 0.00 174.62 174.49 1l6v n ASP 72 N -0.71 0.09 -0.00 3.53 -0.08 -1.26 0.13 116.55 118.25 1l6v n ASP 72 Ca -0.04 1.03 -0.00 0.00 -1.51 0.00 0.00 54.79 54.27 1l6v n ASP 72 Cb 0.60 -0.51 -0.00 0.00 2.34 0.00 0.00 41.12 43.55 1l6v n ASP 72 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1l6v h GLU 73 N 0.00 -0.02 -0.97 -0.67 4.81 -2.00 -3.24 114.58 112.50 1l6v h GLU 73 Ca 0.79 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 60.20 1l6v h GLU 73 Cb 2.85 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 32.06 1l6v h GLU 73 CO -0.21 -0.01 -0.29 1.49 -0.73 0.00 0.00 179.01 179.26 1l6v h GLU 74 N -0.17 -0.01 -0.17 1.92 4.57 -1.12 -0.10 114.58 119.51 1l6v h GLU 74 Ca -0.00 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1l6v h GLU 74 Cb 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1l6v h GLU 74 CO 0.00 -0.00 -0.14 -0.91 -1.18 0.00 0.00 179.01 176.78 1l6v h ASN 75 N -0.01 -0.48 0.00 1.04 2.35 -0.47 -3.40 115.58 114.62 1l6v h ASN 75 Ca 0.42 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 1l6v h ASN 75 Cb 0.67 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1l6v h ASN 75 CO -0.99 -0.07 0.00 0.47 -1.65 0.00 0.00 177.43 175.19 1l6v n ASP 76 N -3.44 0.00 -2.25 5.81 9.92 -0.05 -1.14 116.55 125.39 1l6v n ASP 76 Ca -0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1l6v n ASP 76 Cb 0.07 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.45 1l6v n ASP 76 CO 0.00 0.00 0.00 0.80 0.13 0.00 0.00 177.20 178.13 1l6v n MET 77 N 0.00 2.20 0.00 -1.24 1.56 -1.26 -4.80 117.12 113.58 1l6v n MET 77 Ca 0.00 -1.72 0.00 0.00 -0.27 0.00 0.00 57.70 55.71 1l6v n MET 77 Cb 0.00 -2.06 0.00 0.00 2.15 0.00 0.00 33.22 33.31 1l6v n MET 77 CO 0.00 0.00 0.00 1.47 -0.73 0.00 0.00 175.97 176.71 1l6v n LEU 78 N 1.57 0.00 0.00 -0.89 -0.00 -0.29 -4.80 117.00 112.59 1l6v n LEU 78 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 1l6v n LEU 78 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.13 1l6v n LEU 78 CO 0.24 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 178.10 1l6v n ASP 79 N 0.00 0.00 -0.95 1.45 9.92 -1.26 -4.55 116.55 121.16 1l6v n ASP 79 Ca 0.00 0.00 -0.12 0.00 -0.53 0.00 0.00 54.79 54.14 1l6v n ASP 79 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1l6v n ASP 79 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1l6v n LEU 80 N -1.06 -0.94 -4.56 0.64 -0.00 -1.26 -4.99 117.00 104.83 1l6v n LEU 80 Ca 0.00 0.25 -0.29 0.00 -0.00 0.00 0.00 56.01 55.97 1l6v n LEU 80 Cb 0.00 -1.82 -0.10 0.00 -0.00 0.00 0.00 43.42 41.50 1l6v n LEU 80 CO 0.00 -0.54 -0.43 0.00 -0.00 0.00 0.00 177.39 176.41 1l6v s ALA 81 N -2.45 2.89 0.66 1.96 0.00 -1.26 -5.09 121.76 118.47 1l6v s ALA 81 Ca 0.00 -1.33 -0.18 0.00 0.00 0.00 0.00 51.96 50.46 1l6v s ALA 81 Cb 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 23.12 22.17 1l6v s ALA 81 CO 0.00 0.59 -0.34 0.98 0.00 0.00 0.00 175.76 176.99 1l6v n TYR 82 N 0.56 -3.63 0.00 0.00 4.19 -1.26 -2.87 117.16 114.15 1l6v n TYR 82 Ca -0.13 0.30 0.00 0.00 3.31 0.00 0.00 57.90 61.38 1l6v n TYR 82 Cb 0.53 -1.61 0.00 0.00 0.49 0.00 0.00 39.34 38.76 1l6v n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1l6v n GLY 83 N 2.81 3.06 3.26 2.98 0.00 -1.26 -4.70 105.19 111.35 1l6v n GLY 83 Ca 0.05 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1l6v n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1l6v n LEU 84 N 0.00 3.14 0.00 0.99 4.77 -1.14 -4.08 117.00 120.68 1l6v n LEU 84 Ca 0.00 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 1l6v n LEU 84 Cb 0.00 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1l6v n LEU 84 CO 0.00 -1.03 0.00 0.41 -1.33 0.00 0.00 177.39 175.44 1l6v n THR 85 N 6.55 0.00 -0.00 -5.08 -1.04 -1.26 -5.00 114.28 108.44 1l6v n THR 85 Ca 0.48 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.49 1l6v n THR 85 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 1l6v n THR 85 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1l6v n ASP 86 N 0.00 0.76 -2.67 8.00 -0.08 -1.26 -4.70 116.55 116.61 1l6v n ASP 86 Ca 0.00 -0.88 -0.14 0.00 -1.51 0.00 0.00 54.79 52.26 1l6v n ASP 86 Cb 0.00 0.23 0.02 0.00 2.34 0.00 0.00 41.12 43.71 1l6v n ASP 86 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1l6v n ARG 87 N -0.23 1.68 -3.66 -0.67 1.85 -1.26 -3.66 116.66 110.71 1l6v n ARG 87 Ca 0.00 -3.57 -0.10 0.00 -1.00 0.00 0.00 57.85 53.17 1l6v n ARG 87 Cb 0.00 -1.52 -0.11 0.00 -1.05 0.00 0.00 32.46 29.78 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 -3.17 -0.08 0.03 2.89 0.15 -1.25 0.33 113.70 112.61 1l6v s SER 88 Ca 0.33 0.85 0.04 0.00 0.70 0.00 0.00 55.95 57.87 1l6v s SER 88 Cb 0.43 1.07 -0.02 0.00 -1.71 0.00 0.00 66.02 65.80 1l6v s SER 88 CO -0.02 -0.23 -0.11 -0.60 1.20 0.00 0.00 173.24 173.47 1l6v s ARG 89 N 2.42 0.77 -0.39 5.44 3.52 -1.17 -4.70 118.95 124.85 1l6v s ARG 89 Ca -0.02 -0.68 -0.43 0.00 -0.13 0.00 0.00 55.73 54.48 1l6v s ARG 89 Cb -0.12 -0.72 -0.17 0.00 -1.56 0.00 0.00 34.95 32.38 1l6v s ARG 89 CO -0.11 0.17 1.73 -0.11 -0.81 0.00 0.00 175.30 176.17 1l6v n LEU 90 N 1.94 1.82 -4.18 -0.88 7.94 -1.26 -4.11 117.00 118.27 1l6v n LEU 90 Ca -0.18 1.07 -0.40 0.00 -1.11 0.00 0.00 56.01 55.39 1l6v n LEU 90 Cb 0.55 -1.03 -0.08 0.00 0.53 0.00 0.00 43.42 43.40 1l6v n LEU 90 CO 0.23 -0.62 0.09 -0.83 -1.11 0.00 0.00 177.39 175.14 1l6v s GLY 91 N 3.64 2.37 0.00 -3.96 0.00 -1.26 -4.20 107.32 103.91 1l6v s GLY 91 Ca 1.03 -3.02 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1l6v s GLY 91 CO 0.72 1.13 0.00 0.00 0.00 0.00 0.00 173.10 174.95 1l6v n GLN 93 N 0.00 0.54 -1.70 0.00 -0.06 -1.26 -4.41 117.38 110.49 1l6v n GLN 93 Ca 0.00 0.28 -0.63 0.00 -2.00 0.00 0.00 57.00 54.65 1l6v n GLN 93 Cb 0.00 -1.50 -0.09 0.00 -4.06 0.00 0.00 30.24 24.60 1l6v n GLN 93 CO 0.00 0.00 0.00 1.51 -0.20 0.00 0.00 177.06 178.37 1l6v n ILE 94 N -4.42 0.07 -2.19 1.69 0.13 -1.26 -4.72 119.36 108.66 1l6v n ILE 94 Ca -0.25 -0.01 -0.27 0.00 -1.10 0.00 0.00 62.75 61.11 1l6v n ILE 94 Cb 0.60 -0.62 0.05 0.00 -0.84 0.00 0.00 39.64 38.83 1l6v n ILE 94 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1l6v s LEU 96 N -5.19 3.06 0.28 0.00 1.43 0.47 -4.83 118.68 113.89 1l6v s LEU 96 Ca 0.57 2.08 -0.18 0.00 -1.03 0.00 0.00 54.13 55.56 1l6v s LEU 96 Cb -0.11 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.58 1l6v s LEU 96 CO 0.47 -2.43 0.67 -0.89 0.23 0.00 0.00 176.35 174.40 1l6v s THR 97 N -2.58 0.00 -0.34 5.49 2.01 -1.26 -3.73 115.64 115.23 1l6v s THR 97 Ca 0.66 -1.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 1l6v s THR 97 Cb -0.22 -2.12 -0.14 0.00 0.01 0.00 0.00 72.50 70.03 1l6v s THR 97 CO 0.53 0.00 3.26 0.29 -0.69 0.00 0.00 174.62 178.01 1l6v n LYS 98 N -0.45 2.39 0.00 4.92 5.02 -1.26 -3.29 118.16 125.50 1l6v n LYS 98 Ca -0.04 -1.62 0.00 0.00 -2.02 0.00 0.00 58.31 54.64 1l6v n LYS 98 Cb 0.60 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 33.46 1l6v n LYS 98 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1l6v n ALA 99 N 2.09 1.39 0.64 7.82 0.00 -1.26 -4.85 120.51 126.33 1l6v n ALA 99 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1l6v n ALA 99 Cb 0.72 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.24 1l6v n ALA 99 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1l6v n MET 100 N -1.79 1.63 -2.22 0.00 2.81 -1.21 -4.82 117.12 111.52 1l6v n MET 100 Ca 0.00 -0.58 -0.43 0.00 -1.81 0.00 0.00 57.70 54.88 1l6v n MET 100 Cb 0.00 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 30.93 1l6v n MET 100 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1l6v s ASP 101 N 0.00 6.17 0.00 7.83 1.01 -1.26 -1.63 116.67 128.79 1l6v s ASP 101 Ca 0.10 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.35 1l6v s ASP 101 Cb 0.08 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.47 1l6v s ASP 101 CO 0.03 -1.54 0.00 0.59 0.21 0.00 0.00 175.17 174.46 1l6v n ASN 102 N 9.37 -2.39 -4.74 0.27 3.02 0.56 -4.80 115.26 116.54 1l6v n ASN 102 Ca 0.19 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 1l6v n ASN 102 Cb 0.48 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.30 4.13 -0.76 3.52 0.23 -0.65 -4.54 119.30 119.93 1l6v s MET 103 Ca 0.00 2.57 -0.17 0.00 -1.03 0.00 0.00 55.69 57.06 1l6v s MET 103 Cb 0.00 -3.05 0.15 0.00 -1.53 0.00 0.00 34.83 30.40 1l6v s MET 103 CO 0.00 -0.66 0.84 0.99 -2.03 0.00 0.00 175.02 174.16 1l6v s THR 104 N 0.42 5.05 -0.18 3.16 2.01 -1.26 -0.15 115.64 124.69 1l6v s THR 104 Ca 0.67 -1.63 -0.19 0.00 0.31 0.00 0.00 61.69 60.84 1l6v s THR 104 Cb -0.48 -4.56 -0.03 0.00 0.01 0.00 0.00 72.50 67.43 1l6v s THR 104 CO 0.42 -1.20 0.56 0.68 -0.69 0.00 0.00 174.62 174.39 1l6v s VAL 105 N 1.88 5.09 -0.05 3.82 -7.23 0.17 -4.43 120.40 119.64 1l6v s VAL 105 Ca 0.19 1.05 0.06 0.00 -1.81 0.00 0.00 61.98 61.48 1l6v s VAL 105 Cb -0.14 -3.88 -0.01 0.00 0.56 0.00 0.00 36.38 32.90 1l6v s VAL 105 CO -0.03 0.19 -0.24 -0.60 -0.31 0.00 0.00 175.10 174.10 1l6v s ARG 106 N 1.51 2.44 -0.09 4.82 3.52 -1.19 -0.82 118.95 129.14 1l6v s ARG 106 Ca 0.27 -0.88 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 1l6v s ARG 106 Cb -0.16 -2.09 -0.05 0.00 -1.56 0.00 0.00 34.95 31.10 1l6v s ARG 106 CO 0.10 0.38 0.25 0.54 -0.81 0.00 0.00 175.30 175.76 1l6v s VAL 107 N -0.18 5.32 0.61 7.11 0.11 -1.24 -1.58 120.40 130.54 1l6v s VAL 107 Ca -0.03 0.46 -0.10 0.00 -2.93 0.00 0.00 61.98 59.38 1l6v s VAL 107 Cb -0.13 -3.54 0.15 0.00 -1.53 0.00 0.00 36.38 31.33 1l6v s VAL 107 CO 0.03 0.57 0.67 -0.81 -3.33 0.00 0.00 175.10 172.24 1l6v n PRO 108 N 2.16 -1.44 -3.58 1.54 -0.04 -1.26 -4.77 135.00 127.61 1l6v n PRO 108 Ca -0.17 -1.05 -0.39 0.00 -0.04 0.00 0.00 63.50 61.85 1l6v n PRO 108 Cb 0.54 -0.83 -0.06 0.00 -0.04 0.00 0.00 33.50 33.11 1l6v n PRO 108 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1l6v s ASP 109 N -3.42 6.01 0.00 3.54 -4.77 -1.26 -4.97 116.67 111.81 1l6v s ASP 109 Ca 0.41 -3.28 0.28 0.00 -3.30 0.00 0.00 52.55 46.66 1l6v s ASP 109 Cb -0.02 -1.97 1.15 0.00 -1.09 0.00 0.00 42.92 40.98 1l6v s ASP 109 CO 0.30 -0.31 1.80 0.00 0.70 0.00 0.00 175.17 177.65