#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xb6 s GLU 2 N 0.00 2.84 -0.27 0.00 2.02 -1.26 -4.95 118.70 117.09 1xb6 s GLU 2 Ca 0.00 -1.73 0.12 0.00 0.02 0.00 0.00 54.97 53.38 1xb6 s GLU 2 Cb 0.00 -4.19 0.61 0.00 0.10 0.00 0.00 34.13 30.65 1xb6 s GLU 2 CO 0.00 -1.29 1.59 0.00 0.02 0.00 0.00 175.26 175.58 1xb6 s SER 4 N -1.74 -0.21 -0.07 0.00 1.04 -1.26 -1.41 113.70 110.05 1xb6 s SER 4 Ca 0.48 -0.36 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 1xb6 s SER 4 Cb 0.40 0.48 0.02 0.00 0.10 0.00 0.00 66.02 67.01 1xb6 s SER 4 CO 0.08 -0.87 0.20 0.54 0.98 0.00 0.00 173.24 174.17 1xb6 s VAL 5 N -3.82 0.01 -0.21 5.02 0.11 -0.34 -4.95 120.40 116.23 1xb6 s VAL 5 Ca 0.04 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 1xb6 s VAL 5 Cb 0.02 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1xb6 s VAL 5 CO -0.11 -0.04 0.11 -1.81 -3.33 0.00 0.00 175.10 169.92 1xb6 s ASP 6 N -0.06 5.88 0.04 3.54 1.01 -1.26 -1.00 116.67 124.81 1xb6 s ASP 6 Ca -0.02 0.11 0.05 0.00 0.71 0.00 0.00 52.55 53.41 1xb6 s ASP 6 Cb -0.02 -2.03 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 1xb6 s ASP 6 CO 0.00 0.14 -0.15 -0.51 0.21 0.00 0.00 175.17 174.86 1xb6 s ILE 7 N 0.61 1.21 -0.06 0.77 2.07 0.33 -4.95 121.20 121.19 1xb6 s ILE 7 Ca 0.06 -1.00 0.06 0.00 -1.41 0.00 0.00 60.65 58.36 1xb6 s ILE 7 Cb -0.12 -1.08 -0.01 0.00 0.13 0.00 0.00 42.46 41.37 1xb6 s ILE 7 CO 0.01 0.07 -0.24 -1.10 -1.91 0.00 0.00 174.94 171.77 1xb6 s GLN 8 N -1.07 2.57 -0.13 3.50 -0.21 -1.26 -1.49 119.66 121.58 1xb6 s GLN 8 Ca 0.03 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.53 1xb6 s GLN 8 Cb -0.08 -2.19 -0.01 0.00 1.00 0.00 0.00 33.01 31.73 1xb6 s GLN 8 CO 0.01 0.39 -0.15 0.20 -2.12 0.00 0.00 175.29 173.62 1xb6 s GLY 9 N -0.18 1.50 0.08 3.09 0.00 -0.52 -2.00 107.32 109.29 1xb6 s GLY 9 Ca -0.03 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.78 1xb6 s GLY 9 CO 0.04 -0.19 0.06 1.16 0.00 0.00 0.00 173.10 174.16 1xb6 n ASN 10 N 3.57 1.34 0.10 1.64 0.23 -0.45 -3.69 115.26 118.01 1xb6 n ASN 10 Ca -0.18 -1.29 0.13 0.00 -0.53 0.00 0.00 54.58 52.70 1xb6 n ASN 10 Cb 0.53 -0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.67 1xb6 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xb6 n ASP 11 N -1.90 0.69 -1.07 0.53 8.00 -1.25 -2.75 116.55 118.81 1xb6 n ASP 11 Ca -0.01 0.60 0.09 0.00 0.71 0.00 0.00 54.79 56.19 1xb6 n ASP 11 Cb 0.09 -0.77 0.26 0.00 -0.02 0.00 0.00 41.12 40.68 1xb6 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xb6 n GLN 12 N -2.19 2.34 -3.02 -1.24 3.00 -1.26 -4.94 117.38 110.07 1xb6 n GLN 12 Ca 0.04 -2.08 -0.12 0.00 -0.01 0.00 0.00 57.00 54.83 1xb6 n GLN 12 Cb 0.35 -1.45 0.05 0.00 0.00 0.00 0.00 30.24 29.19 1xb6 n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1xb6 n MET 13 N 1.20 -4.21 -4.81 -1.09 1.56 -1.11 -5.03 117.12 103.62 1xb6 n MET 13 Ca 0.19 0.46 -0.25 0.00 -0.27 0.00 0.00 57.70 57.84 1xb6 n MET 13 Cb 0.49 -4.37 -0.15 0.00 2.15 0.00 0.00 33.22 31.34 1xb6 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1xb6 s GLN 14 N -5.46 1.39 0.46 2.12 -0.21 -1.26 -4.41 119.66 112.28 1xb6 s GLN 14 Ca 0.24 -0.64 -0.07 0.00 0.02 0.00 0.00 55.36 54.91 1xb6 s GLN 14 Cb -0.10 -1.36 -0.04 0.00 1.00 0.00 0.00 33.01 32.51 1xb6 s GLN 14 CO 0.40 0.37 0.78 -0.06 -2.12 0.00 0.00 175.29 174.66 1xb6 s PHE 15 N -0.44 3.54 -1.85 0.91 0.08 -1.26 -1.33 117.98 117.62 1xb6 s PHE 15 Ca 0.07 0.88 0.17 0.00 0.12 0.00 0.00 56.93 58.17 1xb6 s PHE 15 Cb -0.07 -2.34 0.52 0.00 -0.57 0.00 0.00 43.02 40.56 1xb6 s PHE 15 CO -0.00 -0.22 1.43 0.27 -0.10 0.00 0.00 175.22 176.59 1xb6 n ASN 16 N -1.95 3.22 -3.84 1.36 6.94 -0.85 -4.80 115.26 115.33 1xb6 n ASN 16 Ca 0.01 -2.07 -0.11 0.00 -0.02 0.00 0.00 54.58 52.39 1xb6 n ASN 16 Cb 0.55 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.47 1xb6 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1xb6 s THR 17 N -1.34 0.09 -0.11 5.53 -1.32 -1.26 -5.00 115.64 112.24 1xb6 s THR 17 Ca 0.39 -0.77 0.15 0.00 -1.21 0.00 0.00 61.69 60.26 1xb6 s THR 17 Cb 0.21 -0.70 0.24 0.00 -1.51 0.00 0.00 72.50 70.73 1xb6 s THR 17 CO 0.25 -0.42 1.12 -0.46 -2.21 0.00 0.00 174.62 172.90 1xb6 n ASN 18 N 1.04 1.94 -3.40 8.08 0.23 -1.26 -4.82 115.26 117.06 1xb6 n ASN 18 Ca -0.21 -2.88 0.02 0.00 -0.53 0.00 0.00 54.58 50.98 1xb6 n ASN 18 Cb 0.57 -0.38 -0.03 0.00 -2.08 0.00 0.00 39.78 37.86 1xb6 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xb6 s ALA 19 N -2.35 -2.31 -0.09 -2.53 0.00 -1.26 -2.36 121.76 110.86 1xb6 s ALA 19 Ca 0.26 2.07 0.01 0.00 0.00 0.00 0.00 51.96 54.29 1xb6 s ALA 19 Cb 0.23 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 1xb6 s ALA 19 CO 0.02 -1.11 -0.10 0.42 0.00 0.00 0.00 175.76 175.00 1xb6 s ILE 20 N 2.83 3.43 0.03 0.00 1.01 0.16 -4.97 121.20 123.70 1xb6 s ILE 20 Ca 0.04 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.20 1xb6 s ILE 20 Cb -0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1xb6 s ILE 20 CO -0.19 0.56 -0.17 0.42 0.00 0.00 0.00 174.94 175.56 1xb6 s THR 21 N -0.35 2.83 -0.25 2.92 -4.23 -1.26 -1.40 115.64 113.89 1xb6 s THR 21 Ca 0.04 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.44 1xb6 s THR 21 Cb -0.12 -2.18 0.06 0.00 1.34 0.00 0.00 72.50 71.59 1xb6 s THR 21 CO 0.02 0.36 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.69 1xb6 s VAL 22 N -0.91 1.93 -0.07 2.29 1.01 0.34 -4.92 120.40 120.07 1xb6 s VAL 22 Ca 0.14 -1.51 -0.36 0.00 0.00 0.00 0.00 61.98 60.26 1xb6 s VAL 22 Cb -0.11 -2.11 -0.13 0.00 0.00 0.00 0.00 36.38 34.03 1xb6 s VAL 22 CO 0.05 -0.08 1.75 -0.67 0.00 0.00 0.00 175.10 176.15 1xb6 n ASP 23 N 4.52 2.99 0.32 3.32 -0.08 -1.26 -0.50 116.55 125.86 1xb6 n ASP 23 Ca -0.13 1.03 0.20 0.00 -1.51 0.00 0.00 54.79 54.38 1xb6 n ASP 23 Cb 0.43 -1.31 1.12 0.00 2.34 0.00 0.00 41.12 43.69 1xb6 n ASP 23 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1xb6 h ARG 24 N 7.75 0.00 0.00 -0.67 3.08 -1.44 -1.50 114.38 121.60 1xb6 h ARG 24 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1xb6 h ARG 24 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1xb6 h ARG 24 CO 0.92 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.69 1xb6 n SER 25 N -3.34 0.51 -4.72 7.04 3.41 -1.26 -4.80 113.62 110.45 1xb6 n SER 25 Ca -0.03 0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 1xb6 n SER 25 Cb 0.08 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 1xb6 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xb6 h LYS 27 N 6.27 0.67 -5.50 0.00 1.63 -1.88 -3.42 116.57 114.34 1xb6 h LYS 27 Ca -0.43 -0.78 -0.43 0.00 -0.85 0.00 0.00 60.65 58.16 1xb6 h LYS 27 Cb 1.21 0.24 -0.17 0.00 -0.60 0.00 0.00 32.23 32.91 1xb6 h LYS 27 CO 0.79 1.35 -0.75 -0.65 -3.45 0.00 0.00 179.45 176.73 1xb6 s GLN 28 N -3.20 1.12 -0.01 1.90 1.11 -1.26 -1.69 119.66 117.63 1xb6 s GLN 28 Ca -0.10 -1.35 0.03 0.00 0.01 0.00 0.00 55.36 53.96 1xb6 s GLN 28 Cb 0.06 -0.99 -0.01 0.00 -1.01 0.00 0.00 33.01 31.07 1xb6 s GLN 28 CO 0.92 0.18 -0.11 0.12 0.01 0.00 0.00 175.29 176.41 1xb6 s PHE 29 N -2.38 1.03 -0.08 0.91 5.36 0.00 -4.85 117.98 117.99 1xb6 s PHE 29 Ca 0.13 -0.20 0.05 0.00 -0.96 0.00 0.00 56.93 55.94 1xb6 s PHE 29 Cb -0.04 -0.67 -0.01 0.00 -0.34 0.00 0.00 43.02 41.96 1xb6 s PHE 29 CO 0.04 -0.03 -0.23 0.99 -1.46 0.00 0.00 175.22 174.53 1xb6 s THR 30 N -0.20 2.21 -0.18 0.12 2.01 -0.50 -0.96 115.64 118.14 1xb6 s THR 30 Ca 0.03 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.02 1xb6 s THR 30 Cb -0.05 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.62 1xb6 s THR 30 CO -0.00 0.56 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.71 1xb6 s VAL 31 N -0.01 3.11 -0.37 3.82 1.01 0.03 -1.20 120.40 126.79 1xb6 s VAL 31 Ca -0.08 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 1xb6 s VAL 31 Cb -0.15 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.91 1xb6 s VAL 31 CO 0.05 0.48 0.18 0.20 0.00 0.00 0.00 175.10 176.01 1xb6 s ASN 32 N 1.02 5.57 -0.16 3.32 0.02 -0.17 -1.40 114.94 123.15 1xb6 s ASN 32 Ca -0.00 -1.16 -0.08 0.00 -1.02 0.00 0.00 52.86 50.59 1xb6 s ASN 32 Cb -0.15 -1.96 -0.04 0.00 0.02 0.00 0.00 41.25 39.12 1xb6 s ASN 32 CO -0.01 -0.40 0.13 -0.22 0.02 0.00 0.00 177.10 176.62 1xb6 s LEU 33 N 1.47 4.26 0.24 0.60 2.96 0.46 -0.51 118.68 128.17 1xb6 s LEU 33 Ca 0.01 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1xb6 s LEU 33 Cb -0.20 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1xb6 s LEU 33 CO 0.04 0.29 0.12 -0.94 -1.32 0.00 0.00 176.35 174.54 1xb6 s SER 34 N -0.28 0.81 -0.41 3.68 1.04 -0.55 -1.42 113.70 116.57 1xb6 s SER 34 Ca 0.11 -1.41 0.02 0.00 0.48 0.00 0.00 55.95 55.15 1xb6 s SER 34 Cb -0.12 0.28 0.15 0.00 0.10 0.00 0.00 66.02 66.43 1xb6 s SER 34 CO 0.01 -0.80 0.26 -2.28 0.98 0.00 0.00 173.24 171.41 1xb6 s HIS 35 N -3.90 1.32 1.04 5.02 2.46 -1.21 -1.43 115.29 118.58 1xb6 s HIS 35 Ca 0.38 -2.10 -0.12 0.00 0.47 0.00 0.00 55.06 53.70 1xb6 s HIS 35 Cb 0.07 -1.30 0.21 0.00 -0.13 0.00 0.00 32.58 31.43 1xb6 s HIS 35 CO 0.14 -0.80 1.07 -1.25 -2.47 0.00 0.00 174.74 171.43 1xb6 s PRO 36 N 0.52 0.09 0.00 2.88 0.04 -1.24 -1.63 135.00 135.66 1xb6 s PRO 36 Ca 0.21 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.21 1xb6 s PRO 36 Cb -0.17 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1xb6 s PRO 36 CO -0.04 -3.08 0.00 0.41 0.04 0.00 0.00 177.00 174.33 1xb6 n GLY 37 N 0.06 -1.65 0.00 0.56 0.00 -1.26 -3.92 105.19 98.98 1xb6 n GLY 37 Ca 0.06 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1xb6 n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xb6 n ASN 38 N 0.00 0.31 -4.78 1.61 0.23 -1.26 -4.51 115.26 106.86 1xb6 n ASN 38 Ca 0.00 -1.04 -0.38 0.00 -0.53 0.00 0.00 54.58 52.62 1xb6 n ASN 38 Cb 0.00 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 1xb6 n ASN 38 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1xb6 s LEU 39 N -0.04 4.50 0.77 -4.53 1.43 -1.26 -4.83 118.68 114.71 1xb6 s LEU 39 Ca 0.00 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 1xb6 s LEU 39 Cb 0.00 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.63 1xb6 s LEU 39 CO 0.00 0.09 1.10 -2.16 0.23 0.00 0.00 176.35 175.61 1xb6 s PRO 40 N -1.55 2.33 0.42 1.29 0.04 -1.26 -1.41 135.00 134.86 1xb6 s PRO 40 Ca 0.43 0.56 0.13 0.00 0.04 0.00 0.00 61.00 62.16 1xb6 s PRO 40 Cb -0.22 -1.95 1.00 0.00 0.04 0.00 0.00 34.50 33.37 1xb6 s PRO 40 CO 0.26 -1.43 1.97 -0.22 0.04 0.00 0.00 177.00 177.62 1xb6 h LYS 41 N -0.95 0.44 0.00 4.56 3.64 -1.87 -0.76 116.57 121.63 1xb6 h LYS 41 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1xb6 h LYS 41 Cb 1.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xb6 h LYS 41 CO 0.61 0.29 0.00 -2.95 -2.27 0.00 0.00 179.45 175.13 1xb6 h ASN 42 N 0.45 0.00 0.00 4.20 -0.00 -1.95 -1.79 115.58 116.49 1xb6 h ASN 42 Ca 0.29 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 56.25 1xb6 h ASN 42 Cb 0.54 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 38.80 1xb6 h ASN 42 CO -0.09 0.00 -2.27 0.52 -0.00 0.00 0.00 177.43 175.59 1xb6 n VAL 43 N -2.70 1.28 -2.75 6.14 0.31 -0.68 -4.81 118.33 115.13 1xb6 n VAL 43 Ca 0.03 -0.56 -0.03 0.00 -0.01 0.00 0.00 64.34 63.77 1xb6 n VAL 43 Cb 0.37 -1.12 0.08 0.00 -0.91 0.00 0.00 33.84 32.26 1xb6 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1xb6 n MET 44 N -3.04 1.47 -2.26 5.55 1.56 -0.38 -5.03 117.12 115.00 1xb6 n MET 44 Ca -0.37 -2.61 -0.37 0.00 -0.27 0.00 0.00 57.70 54.07 1xb6 n MET 44 Cb 0.96 -0.78 -0.01 0.00 2.15 0.00 0.00 33.22 35.54 1xb6 n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1xb6 s GLY 45 N -2.63 2.79 0.00 -5.12 0.00 -0.67 -4.79 107.32 96.90 1xb6 s GLY 45 Ca 0.21 0.94 0.03 0.00 0.00 0.00 0.00 44.72 45.90 1xb6 s GLY 45 CO -0.06 1.41 -0.09 0.30 0.00 0.00 0.00 173.10 174.66 1xb6 s HIS 46 N -1.52 0.79 0.39 1.90 3.76 -0.41 -4.64 115.29 115.56 1xb6 s HIS 46 Ca 0.63 -0.20 0.04 0.00 -0.15 0.00 0.00 55.06 55.38 1xb6 s HIS 46 Cb -0.29 -0.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.85 1xb6 s HIS 46 CO 0.35 -0.01 0.06 0.54 -0.85 0.00 0.00 174.74 174.83 1xb6 s ASN 47 N -0.42 3.01 -0.19 1.40 2.20 -1.26 -0.84 114.94 118.83 1xb6 s ASN 47 Ca 0.02 -1.48 0.01 0.00 -0.94 0.00 0.00 52.86 50.46 1xb6 s ASN 47 Cb -0.04 0.08 0.04 0.00 -2.00 0.00 0.00 41.25 39.33 1xb6 s ASN 47 CO -0.00 -0.69 -0.12 0.86 -2.94 0.00 0.00 177.10 174.21 1xb6 s TRP 48 N -3.11 2.48 -0.06 1.54 -0.00 -1.26 -3.88 118.94 114.66 1xb6 s TRP 48 Ca 0.29 -1.59 0.03 0.00 -0.00 0.00 0.00 56.10 54.83 1xb6 s TRP 48 Cb 0.07 -1.69 0.01 0.00 -0.00 0.00 0.00 33.47 31.85 1xb6 s TRP 48 CO 0.14 -0.75 -0.14 0.08 -0.00 0.00 0.00 176.95 176.28 1xb6 s VAL 49 N 1.38 1.21 -0.11 5.86 1.01 0.20 -1.17 120.40 128.78 1xb6 s VAL 49 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1xb6 s VAL 49 Cb -0.15 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1xb6 s VAL 49 CO -0.09 0.37 -0.18 -0.22 0.00 0.00 0.00 175.10 174.98 1xb6 s LEU 50 N 0.42 2.44 0.28 3.92 2.96 -0.30 -1.04 118.68 127.37 1xb6 s LEU 50 Ca -0.10 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.31 1xb6 s LEU 50 Cb -0.14 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.03 1xb6 s LEU 50 CO 0.03 0.17 0.43 -0.94 -1.32 0.00 0.00 176.35 174.73 1xb6 s SER 51 N 0.30 0.36 0.66 3.68 1.04 -0.80 -0.70 113.70 118.25 1xb6 s SER 51 Ca -0.13 -1.23 -0.16 0.00 0.48 0.00 0.00 55.95 54.90 1xb6 s SER 51 Cb -0.17 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1xb6 s SER 51 CO 0.07 -1.18 1.17 0.42 0.98 0.00 0.00 173.24 174.70 1xb6 s THR 52 N -3.60 2.74 0.26 2.02 -4.23 -1.26 -1.06 115.64 110.52 1xb6 s THR 52 Ca 0.28 0.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.15 1xb6 s THR 52 Cb 0.00 -2.98 0.26 0.00 1.34 0.00 0.00 72.50 71.12 1xb6 s THR 52 CO 0.14 -0.18 1.87 0.00 -0.54 0.00 0.00 174.62 175.91 1xb6 h ALA 53 N 0.17 1.35 -0.43 3.99 0.00 -1.05 -1.85 119.26 121.44 1xb6 h ALA 53 Ca -0.48 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xb6 h ALA 53 Cb 1.28 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1xb6 h ALA 53 CO 0.53 0.36 0.25 0.00 0.00 0.00 0.00 179.25 180.39 1xb6 h ALA 54 N 1.45 1.63 0.00 0.00 0.00 -1.91 -2.67 119.26 117.76 1xb6 h ALA 54 Ca 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1xb6 h ALA 54 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xb6 h ALA 54 CO -0.19 0.32 -0.30 -0.25 0.00 0.00 0.00 179.25 178.83 1xb6 n ASP 55 N -4.44 0.31 -0.14 0.00 8.00 -0.73 -4.42 116.55 115.13 1xb6 n ASP 55 Ca 0.03 0.07 -0.07 0.00 0.71 0.00 0.00 54.79 55.53 1xb6 n ASP 55 Cb 0.08 -0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.13 1xb6 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1xb6 h MET 56 N 0.00 0.53 -0.98 -1.24 1.85 -1.10 -2.09 114.93 111.90 1xb6 h MET 56 Ca 0.00 -0.03 0.03 0.00 -0.61 0.00 0.00 59.70 59.09 1xb6 h MET 56 Cb 0.51 -0.12 -0.06 0.00 0.43 0.00 0.00 31.60 32.36 1xb6 h MET 56 CO 0.00 0.35 0.65 0.37 -0.40 0.00 0.00 176.91 177.88 1xb6 h GLN 57 N 0.55 1.22 -0.30 0.39 4.15 -1.78 -0.47 115.11 118.87 1xb6 h GLN 57 Ca 0.16 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.38 1xb6 h GLN 57 Cb -0.04 -0.28 -0.00 0.00 0.21 0.00 0.00 27.48 27.37 1xb6 h GLN 57 CO -0.05 0.81 -0.31 0.78 -1.93 0.00 0.00 178.83 178.13 1xb6 h GLY 58 N 1.26 0.81 0.89 2.39 0.00 -1.77 -0.95 103.07 105.71 1xb6 h GLY 58 Ca 0.39 -0.84 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1xb6 h GLY 58 CO -0.12 0.75 0.23 -2.08 0.00 0.00 0.00 176.54 175.33 1xb6 h VAL 59 N 0.50 1.03 -0.18 4.60 2.07 -0.90 -0.14 116.25 123.23 1xb6 h VAL 59 Ca 0.05 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1xb6 h VAL 59 Cb 0.89 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1xb6 h VAL 59 CO 0.08 0.08 0.03 0.58 0.02 0.00 0.00 177.57 178.37 1xb6 h VAL 60 N 0.46 1.22 -0.22 2.57 2.07 -1.05 -0.03 116.25 121.27 1xb6 h VAL 60 Ca 0.16 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1xb6 h VAL 60 Cb 0.02 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1xb6 h VAL 60 CO -0.08 0.22 0.06 0.74 0.02 0.00 0.00 177.57 178.52 1xb6 h THR 61 N 0.10 1.20 -0.21 2.57 2.02 -1.00 -0.24 112.91 117.35 1xb6 h THR 61 Ca 0.06 -0.66 -0.13 0.00 0.77 0.00 0.00 66.41 66.45 1xb6 h THR 61 Cb 0.30 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 1xb6 h THR 61 CO 0.00 0.21 -0.40 0.44 0.37 0.00 0.00 175.52 176.14 1xb6 h ASP 62 N 0.17 0.51 -0.28 4.18 3.32 -1.06 -2.77 116.42 120.48 1xb6 h ASP 62 Ca 0.07 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.92 1xb6 h ASP 62 Cb 0.26 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1xb6 h ASP 62 CO 0.00 0.86 0.12 1.23 -1.72 0.00 0.00 179.24 179.73 1xb6 h GLY 63 N 1.10 0.36 0.59 2.75 0.00 -0.82 -1.69 103.07 105.36 1xb6 h GLY 63 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.33 1xb6 h GLY 63 CO 0.07 0.06 0.03 1.98 0.00 0.00 0.00 176.54 178.68 1xb6 h MET 64 N 0.26 0.13 0.00 4.80 1.85 -0.87 -1.64 114.93 119.46 1xb6 h MET 64 Ca 0.12 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1xb6 h MET 64 Cb 0.06 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.06 1xb6 h MET 64 CO -0.10 0.08 0.00 0.00 -0.40 0.00 0.00 176.91 176.49 1xb6 h ALA 65 N 1.24 1.00 0.00 0.39 0.00 -1.25 -2.96 119.26 117.68 1xb6 h ALA 65 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1xb6 h ALA 65 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xb6 h ALA 65 CO -0.21 0.00 -0.36 0.77 0.00 0.00 0.00 179.25 179.45 1xb6 h SER 66 N 0.00 0.00 -4.55 0.00 0.02 -0.34 -3.50 113.55 105.18 1xb6 h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xb6 h SER 66 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1xb6 h SER 66 CO 0.00 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 1xb6 n GLY 67 N 0.84 -0.00 0.26 -3.77 0.00 -1.12 -4.24 105.19 97.15 1xb6 n GLY 67 Ca 0.02 -1.72 0.03 0.00 0.00 0.00 0.00 46.02 44.34 1xb6 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xb6 h LEU 68 N 0.00 0.31 -2.47 0.99 5.85 -1.91 -1.12 115.31 116.97 1xb6 h LEU 68 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1xb6 h LEU 68 Cb 0.00 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1xb6 h LEU 68 CO 0.00 0.38 -0.02 -2.24 -0.34 0.00 0.00 178.44 176.23 1xb6 h ASP 69 N 0.33 0.00 -0.40 1.25 -0.00 -2.01 -1.26 116.42 114.33 1xb6 h ASP 69 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 57.07 1xb6 h ASP 69 Cb 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.56 1xb6 h ASP 69 CO 0.01 0.02 0.03 0.29 -0.00 0.00 0.00 179.24 179.58 1xb6 n LYS 70 N -3.70 3.45 -2.57 4.15 4.76 -0.53 -4.94 118.16 118.79 1xb6 n LYS 70 Ca -0.03 -2.98 -0.19 0.00 -2.87 0.00 0.00 58.31 52.24 1xb6 n LYS 70 Cb 0.10 -2.00 -0.00 0.00 -1.84 0.00 0.00 35.03 31.30 1xb6 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1xb6 n ASP 71 N -0.23 -5.26 -4.01 4.39 9.92 -0.48 -2.34 116.55 118.54 1xb6 n ASP 71 Ca 0.26 -0.02 -0.32 0.00 -0.53 0.00 0.00 54.79 54.18 1xb6 n ASP 71 Cb 1.04 -4.38 0.01 0.00 -0.64 0.00 0.00 41.12 37.15 1xb6 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1xb6 n TYR 72 N -3.91 -2.15 -4.51 1.24 4.01 -0.57 -4.75 117.16 106.51 1xb6 n TYR 72 Ca -0.18 0.88 -0.22 0.00 -0.16 0.00 0.00 57.90 58.22 1xb6 n TYR 72 Cb 0.65 -3.68 -0.15 0.00 -0.31 0.00 0.00 39.34 35.84 1xb6 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xb6 s LEU 73 N -7.29 1.87 0.10 7.72 1.43 -0.99 -4.24 118.68 117.29 1xb6 s LEU 73 Ca 0.70 -0.23 -0.31 0.00 -1.03 0.00 0.00 54.13 53.26 1xb6 s LEU 73 Cb -0.36 -0.65 -0.09 0.00 0.03 0.00 0.00 46.19 45.12 1xb6 s LEU 73 CO 0.86 0.10 1.74 -0.75 0.23 0.00 0.00 176.35 178.53 1xb6 s LYS 74 N 0.04 4.17 0.27 1.70 2.20 -1.26 -4.85 119.74 122.00 1xb6 s LYS 74 Ca -0.01 2.46 -0.31 0.00 -0.36 0.00 0.00 55.97 57.76 1xb6 s LYS 74 Cb -0.08 -3.59 -0.13 0.00 -1.51 0.00 0.00 37.83 32.52 1xb6 s LYS 74 CO 0.01 -0.79 1.50 -2.30 -0.36 0.00 0.00 175.35 173.41 1xb6 n PRO 75 N 5.62 2.37 -2.11 4.03 -0.02 -1.26 -2.24 135.00 141.39 1xb6 n PRO 75 Ca 0.17 0.84 -0.19 0.00 -2.02 0.00 0.00 63.50 62.30 1xb6 n PRO 75 Cb 0.39 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1xb6 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xb6 n ASP 76 N 2.18 -5.34 -4.61 2.55 8.00 -1.26 -4.88 116.55 113.19 1xb6 n ASP 76 Ca 0.10 0.12 -0.43 0.00 0.71 0.00 0.00 54.79 55.30 1xb6 n ASP 76 Cb 0.34 -4.42 -0.03 0.00 -0.02 0.00 0.00 41.12 36.99 1xb6 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xb6 s ASP 77 N -2.35 5.85 0.43 -2.24 -1.08 -0.95 -4.84 116.67 111.50 1xb6 s ASP 77 Ca 0.00 1.83 0.30 0.00 -0.52 0.00 0.00 52.55 54.16 1xb6 s ASP 77 Cb 0.00 -2.52 1.31 0.00 -1.46 0.00 0.00 42.92 40.25 1xb6 s ASP 77 CO 0.00 -1.65 1.89 0.77 0.52 0.00 0.00 175.17 176.70 1xb6 h SER 78 N 13.18 0.00 1.21 -0.34 4.64 -1.91 -2.28 113.55 128.04 1xb6 h SER 78 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1xb6 h SER 78 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1xb6 h SER 78 CO 0.98 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.97 1xb6 h ARG 79 N 0.00 0.00 -5.65 4.77 3.08 -1.97 -3.43 114.38 111.18 1xb6 h ARG 79 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1xb6 h ARG 79 Cb 0.37 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.29 1xb6 h ARG 79 CO 0.00 0.00 0.27 0.08 -1.07 0.00 0.00 179.97 179.25 1xb6 s VAL 80 N -3.24 4.75 0.18 2.04 1.01 -0.86 -4.45 120.40 119.83 1xb6 s VAL 80 Ca 0.07 0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.45 1xb6 s VAL 80 Cb 0.10 -4.23 -0.00 0.00 0.00 0.00 0.00 36.38 32.25 1xb6 s VAL 80 CO 0.52 -0.57 1.56 0.40 0.00 0.00 0.00 175.10 177.01 1xb6 h ILE 81 N 5.86 1.28 -1.99 2.22 2.04 -1.19 -3.47 117.51 122.26 1xb6 h ILE 81 Ca -0.25 -1.45 0.04 0.00 1.00 0.00 0.00 64.86 64.19 1xb6 h ILE 81 Cb 1.09 1.30 -0.19 0.00 -0.74 0.00 0.00 36.82 38.28 1xb6 h ILE 81 CO 0.91 0.48 0.41 0.00 0.00 0.00 0.00 178.15 179.96 1xb6 s ALA 82 N -4.49 -1.83 0.08 1.87 0.00 -1.23 -5.00 121.76 111.15 1xb6 s ALA 82 Ca -0.10 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 52.88 1xb6 s ALA 82 Cb 0.12 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.21 1xb6 s ALA 82 CO 0.85 -0.46 0.62 -3.38 0.00 0.00 0.00 175.76 173.40 1xb6 s HIS 83 N -1.86 -0.57 0.68 0.00 -3.43 -1.26 -1.15 115.29 107.70 1xb6 s HIS 83 Ca -0.02 0.63 -0.01 0.00 -0.80 0.00 0.00 55.06 54.85 1xb6 s HIS 83 Cb -0.01 0.49 0.10 0.00 -1.43 0.00 0.00 32.58 31.73 1xb6 s HIS 83 CO -0.00 -0.75 0.95 0.95 -2.00 0.00 0.00 174.74 173.89 1xb6 s THR 84 N -2.74 2.29 0.93 -5.38 -4.23 -0.31 -4.82 115.64 101.37 1xb6 s THR 84 Ca -0.04 -0.55 -0.13 0.00 -1.18 0.00 0.00 61.69 59.79 1xb6 s THR 84 Cb -0.01 -2.73 0.15 0.00 1.34 0.00 0.00 72.50 71.25 1xb6 s THR 84 CO -0.04 0.00 1.15 -1.59 -0.54 0.00 0.00 174.62 173.60 1xb6 s LYS 85 N -5.08 1.01 -0.03 3.99 -2.85 -1.26 -4.59 119.74 110.92 1xb6 s LYS 85 Ca 0.63 0.24 -0.27 0.00 -1.00 0.00 0.00 55.97 55.57 1xb6 s LYS 85 Cb -0.07 -1.83 -0.03 0.00 -2.06 0.00 0.00 37.83 33.84 1xb6 s LYS 85 CO 0.43 -2.28 0.86 -1.17 0.10 0.00 0.00 175.35 173.29 1xb6 s LEU 86 N -6.07 4.34 0.08 2.77 2.96 -1.26 -4.41 118.68 117.09 1xb6 s LEU 86 Ca 0.65 1.45 0.08 0.00 -0.22 0.00 0.00 54.13 56.08 1xb6 s LEU 86 Cb -0.14 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 1xb6 s LEU 86 CO 0.53 -0.21 -0.21 0.27 -1.32 0.00 0.00 176.35 175.41 1xb6 s ILE 87 N 0.97 1.75 0.42 6.68 -4.36 -0.02 -4.90 121.20 121.75 1xb6 s ILE 87 Ca 0.45 -1.44 0.06 0.00 -0.26 0.00 0.00 60.65 59.47 1xb6 s ILE 87 Cb -0.19 -1.56 0.06 0.00 1.25 0.00 0.00 42.46 42.01 1xb6 s ILE 87 CO 0.23 0.06 0.51 0.61 0.24 0.00 0.00 174.94 176.59 1xb6 n GLY 88 N 1.35 2.22 3.72 6.27 0.00 -1.26 -1.29 105.19 116.21 1xb6 n GLY 88 Ca -0.19 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 1xb6 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xb6 n SER 89 N -2.31 3.12 0.00 1.61 3.41 -0.50 -1.99 113.62 116.96 1xb6 n SER 89 Ca 0.08 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1xb6 n SER 89 Cb 0.45 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 1xb6 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xb6 n GLY 90 N 0.83 2.23 3.99 5.00 0.00 -0.64 -4.97 105.19 111.62 1xb6 n GLY 90 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1xb6 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xb6 s GLU 91 N -0.26 2.69 0.14 1.61 2.02 -0.84 -4.96 118.70 119.10 1xb6 s GLU 91 Ca 0.00 -0.98 -0.16 0.00 0.02 0.00 0.00 54.97 53.86 1xb6 s GLU 91 Cb 0.00 -2.61 0.03 0.00 0.10 0.00 0.00 34.13 31.65 1xb6 s GLU 91 CO 0.00 -0.50 0.41 -1.59 0.02 0.00 0.00 175.26 173.60 1xb6 s LYS 92 N -4.57 1.12 0.16 1.61 -2.85 -1.26 -3.35 119.74 110.60 1xb6 s LYS 92 Ca 0.56 -0.78 -0.17 0.00 -1.00 0.00 0.00 55.97 54.59 1xb6 s LYS 92 Cb -0.10 0.47 0.03 0.00 -2.06 0.00 0.00 37.83 36.17 1xb6 s LYS 92 CO 0.36 -0.44 0.47 0.34 0.10 0.00 0.00 175.35 176.17 1xb6 s ASP 93 N -2.83 -0.25 0.03 0.03 2.15 -0.51 -5.02 116.67 110.28 1xb6 s ASP 93 Ca 0.05 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.64 1xb6 s ASP 93 Cb 0.02 0.53 -0.02 0.00 -0.30 0.00 0.00 42.92 43.15 1xb6 s ASP 93 CO -0.10 -0.96 -0.08 -0.44 -0.17 0.00 0.00 175.17 173.42 1xb6 s SER 94 N -2.85 0.91 -0.02 -0.34 0.01 -1.26 -0.40 113.70 109.75 1xb6 s SER 94 Ca 0.07 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 56.89 1xb6 s SER 94 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1xb6 s SER 94 CO -0.07 -0.13 -0.06 0.54 0.41 0.00 0.00 173.24 173.93 1xb6 s VAL 95 N -1.10 0.54 -0.06 3.43 0.11 -0.49 -4.88 120.40 117.94 1xb6 s VAL 95 Ca -0.07 -0.24 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 1xb6 s VAL 95 Cb -0.08 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1xb6 s VAL 95 CO 0.00 0.18 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.81 1xb6 s THR 96 N 0.18 2.08 0.06 5.04 2.01 -1.26 -0.79 115.64 122.96 1xb6 s THR 96 Ca -0.02 -1.06 0.00 0.00 0.31 0.00 0.00 61.69 60.92 1xb6 s THR 96 Cb -0.07 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.66 1xb6 s THR 96 CO -0.00 0.57 -0.04 0.72 -0.69 0.00 0.00 174.62 175.18 1xb6 s PHE 97 N -0.17 0.62 -0.06 4.92 -0.12 -0.13 -4.95 117.98 118.08 1xb6 s PHE 97 Ca -0.03 -0.94 -0.30 0.00 -0.05 0.00 0.00 56.93 55.60 1xb6 s PHE 97 Cb -0.14 -0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 41.81 1xb6 s PHE 97 CO 0.04 -0.28 1.12 -0.51 -0.05 0.00 0.00 175.22 175.54 1xb6 s ASP 98 N -2.76 7.14 0.49 1.98 1.01 -1.26 -0.82 116.67 122.45 1xb6 s ASP 98 Ca 0.06 1.72 0.25 0.00 0.71 0.00 0.00 52.55 55.28 1xb6 s ASP 98 Cb 0.05 -2.56 1.25 0.00 1.01 0.00 0.00 42.92 42.67 1xb6 s ASP 98 CO -0.07 -0.51 2.00 0.58 0.21 0.00 0.00 175.17 177.38 1xb6 h VAL 99 N 4.99 0.67 0.00 -1.27 2.07 -1.58 -1.83 116.25 119.29 1xb6 h VAL 99 Ca -0.34 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1xb6 h VAL 99 Cb 1.16 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1xb6 h VAL 99 CO 0.86 0.17 0.00 0.77 0.02 0.00 0.00 177.57 179.39 1xb6 h SER 100 N 0.00 0.00 0.59 0.57 4.64 -1.88 -0.78 113.55 116.68 1xb6 h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xb6 h SER 100 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1xb6 h SER 100 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1xb6 n LYS 101 N -2.90 0.17 -3.24 4.77 5.02 -0.69 -4.52 118.16 116.77 1xb6 n LYS 101 Ca -0.02 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.29 1xb6 n LYS 101 Cb 0.10 -1.85 -0.08 0.00 -0.02 0.00 0.00 35.03 33.18 1xb6 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xb6 s LEU 102 N -4.35 4.60 -0.21 -0.35 1.43 -0.30 -5.05 118.68 114.45 1xb6 s LEU 102 Ca 0.03 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 52.61 1xb6 s LEU 102 Cb 0.09 -2.54 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 1xb6 s LEU 102 CO 0.35 -0.61 0.26 -0.54 0.23 0.00 0.00 176.35 176.04 1xb6 s LYS 103 N 2.41 4.15 0.39 1.70 -0.14 -1.26 -5.03 119.74 121.96 1xb6 s LYS 103 Ca 0.17 -0.05 -0.27 0.00 -1.36 0.00 0.00 55.97 54.46 1xb6 s LYS 103 Cb -0.16 -3.51 -0.10 0.00 -1.68 0.00 0.00 37.83 32.38 1xb6 s LYS 103 CO 0.15 0.08 1.45 0.39 -0.76 0.00 0.00 175.35 176.66 1xb6 n GLU 104 N 4.15 2.49 0.00 1.68 4.71 -1.26 -2.88 120.64 129.54 1xb6 n GLU 104 Ca -0.12 0.88 0.00 0.00 -0.01 0.00 0.00 57.16 57.90 1xb6 n GLU 104 Cb 0.52 -2.62 0.00 0.00 -1.01 0.00 0.00 31.44 28.33 1xb6 n GLU 104 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xb6 n GLY 105 N 0.52 3.01 3.73 0.62 0.00 -1.26 -5.01 105.19 106.80 1xb6 n GLY 105 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1xb6 n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xb6 n GLU 106 N -1.98 1.36 -3.63 1.61 4.07 -1.14 -4.99 120.64 115.94 1xb6 n GLU 106 Ca 0.00 0.52 -0.36 0.00 -0.06 0.00 0.00 57.16 57.26 1xb6 n GLU 106 Cb 0.00 -2.52 -0.08 0.00 -0.06 0.00 0.00 31.44 28.78 1xb6 n GLU 106 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1xb6 s GLN 107 N -3.09 4.21 0.04 5.31 -1.52 -1.26 -4.97 119.66 118.39 1xb6 s GLN 107 Ca 0.77 -0.08 0.08 0.00 -1.95 0.00 0.00 55.36 54.18 1xb6 s GLN 107 Cb -0.40 -3.44 -0.03 0.00 -0.22 0.00 0.00 33.01 28.92 1xb6 s GLN 107 CO 0.45 0.24 -0.22 0.71 -0.25 0.00 0.00 175.29 176.22 1xb6 s TYR 108 N 0.51 2.44 0.00 0.91 2.02 -1.25 -0.45 117.35 121.53 1xb6 s TYR 108 Ca 0.12 -0.33 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1xb6 s TYR 108 Cb -0.12 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 40.00 1xb6 s TYR 108 CO 0.01 0.20 -0.20 -1.64 -1.57 0.00 0.00 175.55 172.35 1xb6 s MET 109 N -1.36 1.52 0.12 -0.62 -1.94 -0.22 -1.78 119.30 115.03 1xb6 s MET 109 Ca 0.13 -0.77 0.06 0.00 -1.71 0.00 0.00 55.69 53.41 1xb6 s MET 109 Cb -0.10 -1.52 -0.04 0.00 2.01 0.00 0.00 34.83 35.18 1xb6 s MET 109 CO 0.04 0.41 -0.02 -0.59 -0.01 0.00 0.00 175.02 174.85 1xb6 s PHE 110 N -0.56 2.89 0.04 -0.03 -0.12 -0.40 -1.91 117.98 117.89 1xb6 s PHE 110 Ca 0.07 -0.09 -0.28 0.00 -0.05 0.00 0.00 56.93 56.58 1xb6 s PHE 110 Cb -0.08 -1.46 0.09 0.00 -0.63 0.00 0.00 43.02 40.94 1xb6 s PHE 110 CO -0.00 0.48 0.97 -0.59 -0.05 0.00 0.00 175.22 176.03 1xb6 s PHE 111 N -1.43 -0.23 -0.09 3.49 -0.12 -0.20 -0.89 117.98 118.51 1xb6 s PHE 111 Ca 0.25 0.03 -0.10 0.00 -0.05 0.00 0.00 56.93 57.07 1xb6 s PHE 111 Cb -0.11 0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 1xb6 s PHE 111 CO 0.17 -0.61 0.23 0.00 -0.05 0.00 0.00 175.22 174.96 1xb6 n THR 113 N 2.02 0.48 -1.70 0.00 -2.24 -1.26 -3.60 114.28 107.97 1xb6 n THR 113 Ca -0.18 -0.74 -0.44 0.00 -2.27 0.00 0.00 64.05 60.43 1xb6 n THR 113 Cb 0.54 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 1xb6 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1xb6 n PHE 114 N 1.36 2.51 -1.67 4.78 7.35 -1.26 -4.46 117.46 126.07 1xb6 n PHE 114 Ca 0.18 0.28 -0.46 0.00 -0.76 0.00 0.00 57.45 56.68 1xb6 n PHE 114 Cb 0.57 -2.56 -0.04 0.00 0.35 0.00 0.00 39.48 37.80 1xb6 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1xb6 n PRO 115 N 2.65 2.13 0.00 -7.13 -0.02 -1.26 -1.13 135.00 130.24 1xb6 n PRO 115 Ca 0.12 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 1xb6 n PRO 115 Cb 0.33 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1xb6 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xb6 n GLY 116 N 3.20 3.08 0.19 -1.23 0.00 -1.26 -4.90 105.19 104.26 1xb6 n GLY 116 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 1xb6 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xb6 h HIS 117 N 0.00 0.06 0.00 1.61 3.86 -1.40 -3.19 115.15 116.09 1xb6 h HIS 117 Ca 0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1xb6 h HIS 117 Cb 0.00 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1xb6 h HIS 117 CO 0.00 0.43 0.00 0.66 0.86 0.00 0.00 177.93 179.88 1xb6 h SER 118 N 0.05 0.00 -0.99 2.45 4.64 -1.75 0.99 113.55 118.94 1xb6 h SER 118 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1xb6 h SER 118 Cb 0.71 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.70 1xb6 h SER 118 CO 0.05 0.00 0.62 0.00 -0.87 0.00 0.00 176.83 176.63 1xb6 h ALA 119 N 2.05 1.65 0.00 5.18 0.00 -1.91 -3.27 119.26 122.96 1xb6 h ALA 119 Ca 0.00 0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.59 1xb6 h ALA 119 Cb 0.38 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1xb6 h ALA 119 CO 0.00 0.05 -2.33 1.28 0.00 0.00 0.00 179.25 178.25 1xb6 n LEU 120 N -4.68 2.58 -4.35 0.00 4.77 -0.75 -4.81 117.00 109.77 1xb6 n LEU 120 Ca 0.21 0.01 -0.44 0.00 -0.03 0.00 0.00 56.01 55.76 1xb6 n LEU 120 Cb 0.48 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1xb6 n LEU 120 CO 0.25 0.77 1.25 0.23 -1.33 0.00 0.00 177.39 178.55 1xb6 n MET 121 N -3.47 3.50 -3.51 3.23 2.81 0.27 -4.74 117.12 115.21 1xb6 n MET 121 Ca -0.43 -4.05 -0.11 0.00 -1.81 0.00 0.00 57.70 51.30 1xb6 n MET 121 Cb 0.90 -2.85 -0.02 0.00 -0.71 0.00 0.00 33.22 30.54 1xb6 n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1xb6 s LYS 122 N 0.36 1.36 0.15 0.03 -2.85 -1.26 -2.06 119.74 115.48 1xb6 s LYS 122 Ca 0.38 -0.57 -0.23 0.00 -1.00 0.00 0.00 55.97 54.55 1xb6 s LYS 122 Cb -0.04 0.59 0.08 0.00 -2.06 0.00 0.00 37.83 36.40 1xb6 s LYS 122 CO -0.02 -0.60 1.06 0.20 0.10 0.00 0.00 175.35 176.10 1xb6 s GLY 123 N -2.78 0.03 0.38 0.59 0.00 -0.07 -4.70 107.32 100.77 1xb6 s GLY 123 Ca 0.03 -0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 1xb6 s GLY 123 CO -0.10 2.40 0.74 -0.51 0.00 0.00 0.00 173.10 175.64 1xb6 s THR 124 N -2.28 4.80 -0.08 0.90 -4.23 -1.00 -1.27 115.64 112.48 1xb6 s THR 124 Ca 0.21 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1xb6 s THR 124 Cb -0.02 -3.72 0.02 0.00 1.34 0.00 0.00 72.50 70.13 1xb6 s THR 124 CO 0.04 -0.46 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.38 1xb6 s LEU 125 N -3.71 1.19 -0.00 4.79 0.20 -0.73 -0.67 118.68 119.75 1xb6 s LEU 125 Ca 0.51 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.12 1xb6 s LEU 125 Cb -0.10 -0.67 0.00 0.00 -0.43 0.00 0.00 46.19 44.99 1xb6 s LEU 125 CO 0.29 -0.09 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.37 1xb6 s THR 126 N 1.37 0.11 0.52 3.68 2.01 -0.49 -3.88 115.64 118.96 1xb6 s THR 126 Ca -0.03 -0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.72 1xb6 s THR 126 Cb -0.14 -0.12 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 1xb6 s THR 126 CO -0.03 0.04 1.30 -0.76 -0.69 0.00 0.00 174.62 174.48 1xb6 s LEU 127 N 0.11 3.90 0.00 4.42 1.43 -1.26 -0.50 118.68 126.77 1xb6 s LEU 127 Ca -0.01 2.63 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1xb6 s LEU 127 Cb -0.02 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.93 1xb6 s LEU 127 CO -0.00 -1.38 0.22 1.17 0.23 0.00 0.00 176.35 176.59