#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6z s ARG 8 N 0.00 0.60 0.45 1.96 0.52 -1.26 -5.14 118.95 116.08 1b6z s ARG 8 Ca 0.00 -0.42 -0.25 0.00 -0.52 0.00 0.00 55.73 54.54 1b6z s ARG 8 Cb 0.00 -0.54 -0.08 0.00 0.52 0.00 0.00 34.95 34.85 1b6z s ARG 8 CO 0.00 0.14 1.38 1.03 0.02 0.00 0.00 175.30 177.87 1b6z s ARG 9 N -0.60 3.69 -0.03 3.54 0.52 -1.26 -4.80 118.95 120.01 1b6z s ARG 9 Ca -0.00 2.31 0.02 0.00 -0.52 0.00 0.00 55.73 57.53 1b6z s ARG 9 Cb -0.05 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 1b6z s ARG 9 CO 0.00 -0.77 -0.06 1.03 0.02 0.00 0.00 175.30 175.52 1b6z s ARG 10 N -2.46 2.68 0.25 3.54 0.52 -1.26 -0.82 118.95 121.40 1b6z s ARG 10 Ca 0.61 -0.62 -0.05 0.00 -0.52 0.00 0.00 55.73 55.16 1b6z s ARG 10 Cb -0.41 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.46 1b6z s ARG 10 CO 0.53 0.64 0.31 0.00 0.02 0.00 0.00 175.30 176.79 1b6z s ALA 11 N -0.92 0.68 -0.13 2.13 0.00 -0.58 -4.95 121.76 117.99 1b6z s ALA 11 Ca 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1b6z s ALA 11 Cb -0.11 1.25 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 1b6z s ALA 11 CO 0.05 -0.72 -0.14 1.03 0.00 0.00 0.00 175.76 175.98 1b6z s ARG 12 N -3.90 3.33 -0.16 0.00 0.52 -1.26 -2.14 118.95 115.33 1b6z s ARG 12 Ca 0.32 -0.71 -0.01 0.00 -0.52 0.00 0.00 55.73 54.81 1b6z s ARG 12 Cb 0.03 -2.60 -0.01 0.00 0.52 0.00 0.00 34.95 32.90 1b6z s ARG 12 CO 0.13 0.19 -0.12 -1.17 0.02 0.00 0.00 175.30 174.35 1b6z s LEU 13 N 0.41 2.67 0.10 2.53 2.96 0.81 -4.96 118.68 123.21 1b6z s LEU 13 Ca -0.11 -0.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.50 1b6z s LEU 13 Cb -0.16 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1b6z s LEU 13 CO 0.05 0.08 -0.25 -0.44 -1.32 0.00 0.00 176.35 174.47 1b6z s SER 14 N 0.83 3.36 -0.01 3.68 0.01 -1.26 -0.37 113.70 119.94 1b6z s SER 14 Ca -0.04 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.55 1b6z s SER 14 Cb -0.15 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 65.80 1b6z s SER 14 CO 0.00 0.20 -0.01 -0.60 0.41 0.00 0.00 173.24 173.25 1b6z s ARG 15 N -1.82 0.16 -0.04 12.44 6.06 -0.75 -4.98 118.95 130.02 1b6z s ARG 15 Ca 0.14 0.01 -0.01 0.00 -2.50 0.00 0.00 55.73 53.37 1b6z s ARG 15 Cb -0.10 -0.25 -0.04 0.00 0.06 0.00 0.00 34.95 34.62 1b6z s ARG 15 CO 0.05 -0.04 0.03 -1.17 -2.50 0.00 0.00 175.30 171.68 1b6z s LEU 16 N 0.40 3.68 0.09 -0.88 0.20 -1.26 -1.83 118.68 119.09 1b6z s LEU 16 Ca -0.04 0.12 -0.05 0.00 0.69 0.00 0.00 54.13 54.85 1b6z s LEU 16 Cb -0.06 -2.01 -0.02 0.00 -0.43 0.00 0.00 46.19 43.67 1b6z s LEU 16 CO -0.01 0.32 0.10 0.54 -0.29 0.00 0.00 176.35 177.02 1b6z s VAL 17 N -1.03 0.15 0.01 1.68 0.11 -0.38 -5.00 120.40 115.95 1b6z s VAL 17 Ca 0.18 -1.54 -0.00 0.00 -2.93 0.00 0.00 61.98 57.68 1b6z s VAL 17 Cb -0.12 -1.57 -0.01 0.00 -1.53 0.00 0.00 36.38 33.15 1b6z s VAL 17 CO 0.08 -0.70 -0.02 -0.94 -3.33 0.00 0.00 175.10 170.19 1b6z s SER 18 N -2.92 0.18 0.04 3.54 1.04 -1.26 -0.60 113.70 113.71 1b6z s SER 18 Ca 0.10 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 1b6z s SER 18 Cb 0.06 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1b6z s SER 18 CO -0.07 -0.24 0.01 0.72 0.98 0.00 0.00 173.24 174.64 1b6z s PHE 19 N -1.16 0.32 -0.19 5.02 -0.71 -0.81 -4.99 117.98 115.46 1b6z s PHE 19 Ca -0.13 -0.69 -0.06 0.00 -1.04 0.00 0.00 56.93 55.02 1b6z s PHE 19 Cb -0.08 -0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.46 1b6z s PHE 19 CO -0.01 -0.31 0.02 -1.12 -1.34 0.00 0.00 175.22 172.47 1b6z s SER 20 N -2.14 5.16 0.06 1.98 0.01 -1.26 -0.62 113.70 116.89 1b6z s SER 20 Ca -0.05 -0.08 -0.17 0.00 1.31 0.00 0.00 55.95 56.96 1b6z s SER 20 Cb -0.01 -1.88 0.03 0.00 0.21 0.00 0.00 66.02 64.37 1b6z s SER 20 CO -0.05 0.12 0.39 0.00 0.41 0.00 0.00 173.24 174.11 1b6z s ALA 21 N 0.69 -0.93 0.30 1.44 0.00 -1.03 0.55 121.76 122.77 1b6z s ALA 21 Ca 0.01 0.17 0.10 0.00 0.00 0.00 0.00 51.96 52.25 1b6z s ALA 21 Cb -0.14 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.35 1b6z s ALA 21 CO 0.02 -0.49 -0.06 -1.54 0.00 0.00 0.00 175.76 173.69 1b6z s SER 22 N -2.20 4.13 0.21 0.00 1.04 -0.66 -1.51 113.70 114.71 1b6z s SER 22 Ca -0.03 -0.88 -0.19 0.00 0.48 0.00 0.00 55.95 55.33 1b6z s SER 22 Cb -0.00 -0.57 0.07 0.00 0.10 0.00 0.00 66.02 65.61 1b6z s SER 22 CO -0.05 -0.07 0.91 0.00 0.98 0.00 0.00 173.24 175.01 1b6z n HIS 23 N -0.84 -1.47 -3.73 5.02 1.44 0.35 -0.03 115.22 115.96 1b6z n HIS 23 Ca -0.05 -1.27 -0.13 0.00 -2.01 0.00 0.00 57.72 54.25 1b6z n HIS 23 Cb 0.60 0.62 -0.14 0.00 0.12 0.00 0.00 29.99 31.20 1b6z n HIS 23 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1b6z s ARG 24 N -2.05 0.14 -0.42 -1.40 3.52 -1.26 -1.09 118.95 116.39 1b6z s ARG 24 Ca 0.20 0.46 -0.26 0.00 -0.13 0.00 0.00 55.73 55.99 1b6z s ARG 24 Cb -0.03 -0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 1b6z s ARG 24 CO 0.06 -0.17 0.95 -0.51 -0.81 0.00 0.00 175.30 174.82 1b6z s LEU 25 N 1.27 3.96 -0.21 -0.88 1.43 -0.35 -4.64 118.68 119.26 1b6z s LEU 25 Ca -0.09 0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 53.23 1b6z s LEU 25 Cb -0.11 -3.27 0.06 0.00 0.03 0.00 0.00 46.19 42.90 1b6z s LEU 25 CO -0.07 -0.98 0.53 -2.28 0.23 0.00 0.00 176.35 173.78 1b6z s HIS 26 N 3.71 -0.66 -0.13 0.29 2.46 -1.26 -4.14 115.29 115.55 1b6z s HIS 26 Ca 0.39 1.51 0.03 0.00 0.47 0.00 0.00 55.06 57.46 1b6z s HIS 26 Cb -0.11 0.28 0.01 0.00 -0.13 0.00 0.00 32.58 32.63 1b6z s HIS 26 CO 0.23 -0.33 -0.22 0.45 -2.47 0.00 0.00 174.74 172.40 1b6z s SER 27 N 0.73 3.06 0.28 9.88 0.15 -1.26 -4.72 113.70 121.82 1b6z s SER 27 Ca -0.04 -0.58 0.24 0.00 0.70 0.00 0.00 55.95 56.27 1b6z s SER 27 Cb -0.05 -1.41 1.03 0.00 -1.71 0.00 0.00 66.02 63.88 1b6z s SER 27 CO -0.05 0.10 1.72 -2.65 1.20 0.00 0.00 173.24 173.56 1b6z n PRO 28 N 3.92 0.20 0.00 5.44 -0.02 -1.26 -1.76 135.00 141.51 1b6z n PRO 28 Ca -0.20 0.46 0.14 0.00 -2.02 0.00 0.00 63.50 61.89 1b6z n PRO 28 Cb 0.52 -1.91 0.67 0.00 -0.02 0.00 0.00 33.50 32.76 1b6z n PRO 28 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1b6z n SER 29 N -2.29 0.01 -4.49 2.55 7.64 -1.26 -4.77 113.62 111.01 1b6z n SER 29 Ca 0.02 0.23 -0.29 0.00 1.01 0.00 0.00 58.87 59.83 1b6z n SER 29 Cb 0.21 -0.40 -0.11 0.00 -1.01 0.00 0.00 64.21 62.89 1b6z n SER 29 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1b6z s LEU 30 N -2.82 2.70 0.92 -3.43 1.43 -0.72 -5.12 118.68 111.64 1b6z s LEU 30 Ca 0.20 -0.56 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 1b6z s LEU 30 Cb 0.20 -1.54 0.15 0.00 0.03 0.00 0.00 46.19 45.02 1b6z s LEU 30 CO 0.50 0.18 1.17 -0.94 0.23 0.00 0.00 176.35 177.48 1b6z s SER 31 N -2.17 3.43 0.28 2.29 1.04 -1.26 -4.73 113.70 112.57 1b6z s SER 31 Ca 0.18 0.82 0.01 0.00 0.48 0.00 0.00 55.95 57.44 1b6z s SER 31 Cb -0.10 -1.29 0.56 0.00 0.10 0.00 0.00 66.02 65.29 1b6z s SER 31 CO 0.10 -2.59 1.82 0.00 0.98 0.00 0.00 173.24 173.55 1b6z h ALA 32 N -1.52 1.48 0.02 5.32 0.00 -1.98 -0.29 119.26 122.28 1b6z h ALA 32 Ca -0.49 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.20 1b6z h ALA 32 Cb 1.32 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.96 1b6z h ALA 32 CO 0.57 0.14 -1.05 1.05 0.00 0.00 0.00 179.25 179.97 1b6z h GLU 33 N 0.91 0.63 -0.45 0.00 9.09 -2.00 -2.89 114.58 119.88 1b6z h GLU 33 Ca 0.50 -0.70 -0.04 0.00 0.05 0.00 0.00 59.36 59.17 1b6z h GLU 33 Cb 0.55 0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 27.84 1b6z h GLU 33 CO -0.29 1.29 0.13 0.93 0.05 0.00 0.00 179.01 181.13 1b6z h GLU 34 N 0.35 0.70 -0.64 1.06 5.08 -1.76 -1.45 114.58 117.93 1b6z h GLU 34 Ca -0.13 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1b6z h GLU 34 Cb 1.71 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.82 1b6z h GLU 34 CO 0.20 0.68 0.42 -0.91 -1.00 0.00 0.00 179.01 178.40 1b6z h ASN 35 N 0.59 0.54 -0.17 1.42 2.35 -1.11 -0.26 115.58 118.94 1b6z h ASN 35 Ca 0.14 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.71 1b6z h ASN 35 Cb 0.28 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.54 1b6z h ASN 35 CO -0.00 0.35 -0.61 0.25 -1.65 0.00 0.00 177.43 175.76 1b6z h LEU 36 N 0.61 0.84 -0.26 1.61 6.46 -1.24 -1.33 115.31 122.00 1b6z h LEU 36 Ca 0.28 -0.60 -0.05 0.00 -0.12 0.00 0.00 57.88 57.39 1b6z h LEU 36 Cb 0.30 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1b6z h LEU 36 CO -0.09 1.30 -0.03 0.50 -0.62 0.00 0.00 178.44 179.51 1b6z h LYS 37 N 0.42 0.47 -0.10 1.25 3.64 -0.59 0.09 116.57 121.75 1b6z h LYS 37 Ca -0.03 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1b6z h LYS 37 Cb 1.24 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1b6z h LYS 37 CO 0.13 0.66 -0.15 0.28 -2.27 0.00 0.00 179.45 178.10 1b6z h VAL 38 N 0.23 1.38 0.00 2.00 2.07 -1.13 -3.36 116.25 117.44 1b6z h VAL 38 Ca 0.07 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.19 1b6z h VAL 38 Cb 0.47 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1b6z h VAL 38 CO 0.02 0.40 -1.03 0.49 0.02 0.00 0.00 177.57 177.46 1b6z n PHE 39 N -4.58 0.00 -0.05 1.57 3.72 -0.50 -5.07 117.46 112.54 1b6z n PHE 39 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1b6z n PHE 39 Cb 0.38 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1b6z n PHE 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b6z n GLY 40 N 1.49 2.82 0.39 1.37 0.00 0.02 -1.45 105.19 109.83 1b6z n GLY 40 Ca 0.04 -0.03 0.19 0.00 0.00 0.00 0.00 46.02 46.22 1b6z n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b6z h LYS 41 N 0.00 0.13 0.00 1.61 1.57 -1.96 0.05 116.57 117.97 1b6z h LYS 41 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1b6z h LYS 41 Cb 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1b6z h LYS 41 CO 0.00 0.09 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1b6z n ASN 43 N -1.50 1.05 -3.58 0.00 4.05 0.00 -1.22 115.26 114.08 1b6z n ASN 43 Ca 0.03 -0.87 -0.51 0.00 0.45 0.00 0.00 54.58 53.68 1b6z n ASN 43 Cb 0.13 0.20 -0.08 0.00 1.23 0.00 0.00 39.78 41.26 1b6z n ASN 43 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1b6z n ASN 44 N -0.72 0.86 -0.24 1.20 5.15 -0.82 -4.77 115.26 115.92 1b6z n ASN 44 Ca 0.11 0.83 0.22 0.00 -0.60 0.00 0.00 54.58 55.14 1b6z n ASN 44 Cb 0.36 -0.68 0.56 0.00 -0.53 0.00 0.00 39.78 39.49 1b6z n ASN 44 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1b6z h PRO 45 N 4.51 0.30 -0.00 1.20 0.13 -1.92 0.00 132.00 136.22 1b6z h PRO 45 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1b6z h PRO 45 Cb 1.06 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1b6z h PRO 45 CO 0.77 0.20 -0.05 0.09 -0.23 0.00 0.00 178.00 178.78 1b6z n ASN 46 N -4.47 0.44 0.00 1.44 3.02 -1.26 -5.03 115.26 109.39 1b6z n ASN 46 Ca 0.20 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.97 1b6z n ASN 46 Cb 0.79 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 1b6z n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1b6z n GLY 47 N 1.19 -2.85 3.27 7.41 0.00 -0.01 -5.01 105.19 109.19 1b6z n GLY 47 Ca 0.18 -1.73 -0.08 0.00 0.00 0.00 0.00 46.02 44.38 1b6z n GLY 47 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1b6z n HIS 48 N -0.53 -2.14 -4.11 1.61 1.44 -0.25 -4.90 115.22 106.34 1b6z n HIS 48 Ca 0.00 -1.66 -0.13 0.00 -2.01 0.00 0.00 57.72 53.92 1b6z n HIS 48 Cb 0.00 0.79 -0.06 0.00 0.12 0.00 0.00 29.99 30.84 1b6z n HIS 48 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1b6z s GLY 49 N -2.82 1.31 0.08 -1.39 0.00 -1.26 -0.49 107.32 102.74 1b6z s GLY 49 Ca 0.15 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.28 1b6z s GLY 49 CO 0.11 -1.05 0.32 0.30 0.00 0.00 0.00 173.10 172.78 1b6z s HIS 50 N -3.64 -0.10 -0.58 1.90 3.76 -0.57 -5.00 115.29 111.07 1b6z s HIS 50 Ca 0.32 -0.14 -0.13 0.00 -0.15 0.00 0.00 55.06 54.96 1b6z s HIS 50 Cb 0.02 0.12 0.15 0.00 1.11 0.00 0.00 32.58 33.98 1b6z s HIS 50 CO 0.16 -0.57 0.50 -0.80 -0.85 0.00 0.00 174.74 173.18 1b6z s ASN 51 N -2.43 6.09 0.33 1.40 0.01 -1.26 -2.47 114.94 116.62 1b6z s ASN 51 Ca -0.01 -2.08 -0.26 0.00 -0.71 0.00 0.00 52.86 49.80 1b6z s ASN 51 Cb 0.01 -2.12 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 1b6z s ASN 51 CO -0.07 -0.72 1.02 -0.31 -1.51 0.00 0.00 177.10 175.50 1b6z s TYR 52 N 1.12 3.54 -0.09 2.20 1.51 0.20 -4.75 117.35 121.09 1b6z s TYR 52 Ca 0.08 1.73 0.04 0.00 -1.01 0.00 0.00 57.07 57.91 1b6z s TYR 52 Cb -0.24 -3.08 -0.00 0.00 -0.11 0.00 0.00 41.96 38.53 1b6z s TYR 52 CO -0.01 -0.23 -0.24 0.15 -1.11 0.00 0.00 175.55 174.11 1b6z s LYS 53 N -2.00 2.96 -0.09 -0.62 1.02 -0.63 -1.92 119.74 118.46 1b6z s LYS 53 Ca 0.51 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.64 1b6z s LYS 53 Cb -0.23 -2.28 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1b6z s LYS 53 CO 0.30 0.22 -0.16 0.08 -0.92 0.00 0.00 175.35 174.86 1b6z s VAL 54 N 0.25 1.50 -0.24 3.17 1.01 0.23 0.10 120.40 126.42 1b6z s VAL 54 Ca -0.16 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.12 1b6z s VAL 54 Cb -0.17 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1b6z s VAL 54 CO 0.08 0.44 -0.05 -0.69 0.00 0.00 0.00 175.10 174.88 1b6z s VAL 55 N 0.71 3.15 -0.18 2.92 1.01 -0.09 -1.25 120.40 126.67 1b6z s VAL 55 Ca -0.13 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.02 1b6z s VAL 55 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1b6z s VAL 55 CO 0.03 0.30 0.06 -0.69 0.00 0.00 0.00 175.10 174.80 1b6z s VAL 56 N 1.41 4.81 -0.09 2.92 1.01 -0.76 -1.28 120.40 128.41 1b6z s VAL 56 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1b6z s VAL 56 Cb -0.15 -3.16 -0.01 0.00 0.00 0.00 0.00 36.38 33.06 1b6z s VAL 56 CO -0.04 0.47 -0.21 -0.89 0.00 0.00 0.00 175.10 174.43 1b6z s THR 57 N 0.27 2.34 0.25 3.92 2.01 -0.15 -1.80 115.64 122.47 1b6z s THR 57 Ca 0.04 -0.93 0.12 0.00 0.31 0.00 0.00 61.69 61.22 1b6z s THR 57 Cb -0.12 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 1b6z s THR 57 CO 0.00 0.56 -0.21 0.27 -0.69 0.00 0.00 174.62 174.55 1b6z s ILE 58 N 0.16 2.46 0.03 1.82 -4.36 0.50 -1.02 121.20 120.80 1b6z s ILE 58 Ca -0.12 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.03 1b6z s ILE 58 Cb -0.16 -2.25 -0.02 0.00 1.25 0.00 0.00 42.46 41.28 1b6z s ILE 58 CO 0.07 -0.29 -0.05 -1.38 0.24 0.00 0.00 174.94 173.53 1b6z s HIS 59 N -2.18 0.45 -1.73 1.37 -3.43 -0.57 -0.13 115.29 109.07 1b6z s HIS 59 Ca 0.26 -0.54 0.00 0.00 -0.80 0.00 0.00 55.06 53.98 1b6z s HIS 59 Cb -0.06 -0.29 0.00 0.00 -1.43 0.00 0.00 32.58 30.80 1b6z s HIS 59 CO 0.13 -0.15 0.00 0.41 -2.00 0.00 0.00 174.74 173.13 1b6z n GLY 60 N 1.46 -1.48 3.82 -1.38 0.00 -0.91 -4.62 105.19 102.08 1b6z n GLY 60 Ca -0.23 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 1b6z n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b6z s GLU 61 N -1.26 4.15 -0.16 1.61 2.02 -1.26 -1.53 118.70 122.26 1b6z s GLU 61 Ca 0.00 1.12 -0.26 0.00 0.02 0.00 0.00 54.97 55.85 1b6z s GLU 61 Cb 0.00 -2.17 -0.01 0.00 0.10 0.00 0.00 34.13 32.05 1b6z s GLU 61 CO 0.00 -0.10 0.88 0.42 0.02 0.00 0.00 175.26 176.48 1b6z s ILE 62 N -2.22 4.84 0.23 -1.63 1.01 -0.00 -4.27 121.20 119.16 1b6z s ILE 62 Ca 0.62 1.75 -0.31 0.00 0.00 0.00 0.00 60.65 62.71 1b6z s ILE 62 Cb -0.10 -4.19 -0.11 0.00 0.01 0.00 0.00 42.46 38.08 1b6z s ILE 62 CO 0.16 0.00 1.59 -0.62 0.00 0.00 0.00 174.94 176.07 1b6z s ASP 63 N 1.15 6.49 0.55 3.58 -1.08 -0.84 -4.66 116.67 121.86 1b6z s ASP 63 Ca 0.41 2.78 0.35 0.00 -0.52 0.00 0.00 52.55 55.57 1b6z s ASP 63 Cb -0.17 -2.61 1.62 0.00 -1.46 0.00 0.00 42.92 40.30 1b6z s ASP 63 CO 0.13 -0.86 2.05 1.55 0.52 0.00 0.00 175.17 178.56 1b6z h PRO 64 N 5.90 0.00 0.00 4.34 0.13 -1.94 -0.97 132.00 139.47 1b6z h PRO 64 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.55 1b6z h PRO 64 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1b6z h PRO 64 CO 0.86 0.00 -1.41 0.28 -0.23 0.00 0.00 178.00 177.50 1b6z n VAL 65 N -2.98 1.50 0.17 1.56 0.31 -1.26 -4.65 118.33 112.99 1b6z n VAL 65 Ca -0.00 -0.01 0.08 0.00 -0.01 0.00 0.00 64.34 64.40 1b6z n VAL 65 Cb 0.22 -2.22 0.09 0.00 -0.91 0.00 0.00 33.84 31.03 1b6z n VAL 65 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1b6z h THR 66 N -1.00 0.30 -0.36 2.52 1.35 -1.99 -3.47 112.91 110.26 1b6z h THR 66 Ca -0.20 -1.44 -0.11 0.00 -0.55 0.00 0.00 66.41 64.11 1b6z h THR 66 Cb 1.15 2.09 -0.03 0.00 -1.73 0.00 0.00 68.15 69.63 1b6z h THR 66 CO -0.12 0.17 -0.10 0.61 -0.25 0.00 0.00 175.52 175.83 1b6z n GLY 67 N 1.16 0.64 3.42 5.82 0.00 -0.37 -5.00 105.19 110.87 1b6z n GLY 67 Ca 0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1b6z n GLY 67 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b6z s MET 68 N -2.85 1.82 -0.00 1.61 -1.94 -1.26 -4.70 119.30 111.98 1b6z s MET 68 Ca 0.00 -1.12 -0.20 0.00 -1.71 0.00 0.00 55.69 52.65 1b6z s MET 68 Cb 0.00 -2.06 -0.22 0.00 2.01 0.00 0.00 34.83 34.55 1b6z s MET 68 CO 0.00 0.50 1.11 0.28 -0.01 0.00 0.00 175.02 176.90 1b6z h VAL 69 N 3.94 1.44 -2.53 -6.03 2.07 -1.92 -2.22 116.25 110.99 1b6z h VAL 69 Ca -0.48 -1.99 -0.10 0.00 0.82 0.00 0.00 66.70 64.95 1b6z h VAL 69 Cb 1.16 2.55 -0.22 0.00 -1.52 0.00 0.00 31.29 33.26 1b6z h VAL 69 CO 0.45 0.58 -0.11 -0.32 0.02 0.00 0.00 177.57 178.18 1b6z s MET 70 N -3.29 0.65 -0.02 1.57 1.75 -1.26 -4.78 119.30 113.91 1b6z s MET 70 Ca -0.14 0.53 -0.30 0.00 -1.25 0.00 0.00 55.69 54.53 1b6z s MET 70 Cb 0.03 0.31 -0.06 0.00 2.84 0.00 0.00 34.83 37.96 1b6z s MET 70 CO 0.80 -0.11 1.55 1.21 -0.65 0.00 0.00 175.02 177.82 1b6z s ASN 71 N -0.12 6.73 0.52 1.11 3.84 -1.26 -4.86 114.94 120.89 1b6z s ASN 71 Ca -0.03 2.21 0.30 0.00 0.21 0.00 0.00 52.86 55.55 1b6z s ASN 71 Cb -0.03 -2.55 1.43 0.00 -0.55 0.00 0.00 41.25 39.55 1b6z s ASN 71 CO 0.02 -0.85 1.86 -0.07 -2.79 0.00 0.00 177.10 175.28 1b6z h LEU 72 N 9.31 0.07 -0.56 3.21 -0.00 -2.00 0.26 115.31 125.61 1b6z h LEU 72 Ca -0.38 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.54 1b6z h LEU 72 Cb 1.18 -0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 1b6z h LEU 72 CO 0.94 0.02 0.31 0.74 -0.00 0.00 0.00 178.44 180.45 1b6z h THR 73 N 0.07 1.01 -0.23 0.22 2.02 -1.99 0.12 112.91 114.12 1b6z h THR 73 Ca 0.47 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 67.29 1b6z h THR 73 Cb 1.75 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1b6z h THR 73 CO -0.04 0.11 -0.48 0.44 0.37 0.00 0.00 175.52 175.92 1b6z h ASP 74 N 0.61 0.67 -0.61 4.18 3.32 -0.89 -2.14 116.42 121.56 1b6z h ASP 74 Ca 0.24 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1b6z h ASP 74 Cb 0.08 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1b6z h ASP 74 CO -0.13 1.04 0.27 0.25 -1.72 0.00 0.00 179.24 178.95 1b6z h LEU 75 N 0.49 0.83 -0.32 1.55 5.85 -0.74 -0.89 115.31 122.07 1b6z h LEU 75 Ca 0.03 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1b6z h LEU 75 Cb 1.02 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1b6z h LEU 75 CO 0.09 0.75 0.21 0.11 -0.34 0.00 0.00 178.44 179.26 1b6z h LYS 76 N 0.85 0.41 -0.30 1.25 1.57 -0.67 -1.11 116.57 118.57 1b6z h LYS 76 Ca 0.21 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1b6z h LYS 76 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1b6z h LYS 76 CO -0.02 0.27 0.18 0.93 -0.57 0.00 0.00 179.45 180.24 1b6z h GLU 77 N 0.42 0.36 -0.57 3.15 5.08 -1.00 -0.27 114.58 121.76 1b6z h GLU 77 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1b6z h GLU 77 Cb -0.04 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1b6z h GLU 77 CO -0.03 0.24 0.36 1.88 -1.00 0.00 0.00 179.01 180.46 1b6z h TYR 78 N 0.37 0.73 -0.22 4.33 0.05 -0.88 -2.22 116.97 119.15 1b6z h TYR 78 Ca 0.12 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.82 1b6z h TYR 78 Cb -0.01 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 1b6z h TYR 78 CO -0.07 0.48 -0.24 0.52 -1.05 0.00 0.00 178.16 177.80 1b6z h MET 79 N 0.77 0.40 -0.10 4.88 2.86 -0.95 0.14 114.93 122.92 1b6z h MET 79 Ca 0.21 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1b6z h MET 79 Cb -0.06 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1b6z h MET 79 CO -0.04 0.61 0.06 0.93 1.06 0.00 0.00 176.91 179.53 1b6z h GLU 80 N 0.36 0.14 -0.34 1.72 4.39 -0.76 0.29 114.58 120.38 1b6z h GLU 80 Ca 0.06 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 1b6z h GLU 80 Cb 0.61 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1b6z h GLU 80 CO 0.04 0.18 -0.01 1.49 -1.16 0.00 0.00 179.01 179.55 1b6z h GLU 81 N 0.07 0.62 0.00 2.33 4.57 -1.24 0.18 114.58 121.10 1b6z h GLU 81 Ca 0.04 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 1b6z h GLU 81 Cb 0.08 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1b6z h GLU 81 CO -0.01 0.75 -1.00 0.00 -1.18 0.00 0.00 179.01 177.57 1b6z h ALA 82 N 0.85 0.61 0.00 2.92 0.00 -0.69 -3.41 119.26 119.54 1b6z h ALA 82 Ca 0.10 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1b6z h ALA 82 Cb 0.48 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1b6z h ALA 82 CO 0.02 0.33 -0.13 -0.89 0.00 0.00 0.00 179.25 178.58 1b6z n ILE 83 N -2.82 1.21 0.22 0.00 5.41 0.98 -4.75 119.36 119.61 1b6z n ILE 83 Ca -0.03 0.36 -0.15 0.00 1.00 0.00 0.00 62.75 63.93 1b6z n ILE 83 Cb 0.65 -1.66 -0.08 0.00 -0.71 0.00 0.00 39.64 37.85 1b6z n ILE 83 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1b6z h MET 84 N -0.13 -0.57 0.22 0.38 2.86 -1.13 -1.34 114.93 115.22 1b6z h MET 84 Ca 0.00 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1b6z h MET 84 Cb 0.13 0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1b6z h MET 84 CO 0.00 -0.38 -0.15 0.87 1.06 0.00 0.00 176.91 178.31 1b6z h LYS 85 N -0.59 -0.36 0.00 1.72 1.57 -1.21 0.41 116.57 118.11 1b6z h LYS 85 Ca -0.04 0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1b6z h LYS 85 Cb 0.50 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1b6z h LYS 85 CO 0.02 -0.24 -0.37 -1.00 -0.57 0.00 0.00 179.45 177.29 1b6z h PRO 86 N -0.37 0.00 0.00 3.15 0.13 -1.78 -3.38 132.00 129.74 1b6z h PRO 86 Ca -0.02 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.01 1b6z h PRO 86 Cb 0.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 1b6z h PRO 86 CO 0.00 0.37 -1.57 1.28 -0.23 0.00 0.00 178.00 177.86 1b6z n LEU 87 N -3.45 0.00 -4.71 1.56 4.77 -0.51 -4.85 117.00 109.81 1b6z n LEU 87 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1b6z n LEU 87 Cb 0.54 0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.74 1b6z n LEU 87 CO 0.37 0.15 1.15 -0.62 -1.33 0.00 0.00 177.39 177.10 1b6z s ASP 88 N -3.78 6.72 -1.35 -1.43 2.15 0.13 -2.84 116.67 116.26 1b6z s ASP 88 Ca -0.04 2.44 -0.07 0.00 0.43 0.00 0.00 52.55 55.31 1b6z s ASP 88 Cb 0.04 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 1b6z s ASP 88 CO 0.39 -0.74 1.07 1.41 -0.17 0.00 0.00 175.17 177.13 1b6z n HIS 89 N 4.14 -2.55 -4.35 -5.34 8.25 0.19 -4.94 115.22 110.62 1b6z n HIS 89 Ca 0.13 0.97 -0.19 0.00 -0.26 0.00 0.00 57.72 58.37 1b6z n HIS 89 Cb 0.41 -4.82 -0.10 0.00 1.12 0.00 0.00 29.99 26.59 1b6z n HIS 89 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1b6z s LYS 90 N -6.12 1.36 -0.37 -0.41 -0.14 -1.13 -5.02 119.74 107.91 1b6z s LYS 90 Ca 0.41 -1.64 -0.13 0.00 -1.36 0.00 0.00 55.97 53.26 1b6z s LYS 90 Cb -0.19 -1.01 0.01 0.00 -1.68 0.00 0.00 37.83 34.96 1b6z s LYS 90 CO 0.75 0.10 0.25 1.21 -0.76 0.00 0.00 175.35 176.90 1b6z s ASN 91 N -3.33 5.95 0.18 2.83 3.84 -1.26 -1.65 114.94 121.50 1b6z s ASN 91 Ca 0.24 -0.74 -0.17 0.00 0.21 0.00 0.00 52.86 52.41 1b6z s ASN 91 Cb 0.02 -2.11 0.13 0.00 -0.55 0.00 0.00 41.25 38.74 1b6z s ASN 91 CO 0.08 -0.35 1.65 -0.07 -2.79 0.00 0.00 177.10 175.62 1b6z h LEU 92 N 8.52 -0.50 -0.87 3.21 4.07 -0.82 0.38 115.31 129.29 1b6z h LEU 92 Ca -0.29 0.14 -0.09 0.00 0.08 0.00 0.00 57.88 57.73 1b6z h LEU 92 Cb 1.13 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 43.17 1b6z h LEU 92 CO 0.68 -0.17 -0.41 0.44 -1.08 0.00 0.00 178.44 177.89 1b6z h ASP 93 N -0.03 0.00 0.00 -0.43 3.32 -1.85 -3.03 116.42 114.40 1b6z h ASP 93 Ca 0.22 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1b6z h ASP 93 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1b6z h ASP 93 CO -0.48 0.41 -1.74 0.18 -1.72 0.00 0.00 179.24 175.88 1b6z n LEU 94 N -3.55 0.00 0.00 1.55 4.77 -1.09 -4.42 117.00 114.26 1b6z n LEU 94 Ca -0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1b6z n LEU 94 Cb 0.53 0.14 -0.11 0.00 -2.33 0.00 0.00 43.42 41.65 1b6z n LEU 94 CO 0.38 0.14 -0.38 0.47 -1.33 0.00 0.00 177.39 176.66 1b6z n ASP 95 N -2.20 0.44 -4.09 -1.43 8.00 0.13 -4.84 116.55 112.55 1b6z n ASP 95 Ca -0.11 -0.31 -0.33 0.00 0.71 0.00 0.00 54.79 54.76 1b6z n ASP 95 Cb 0.61 1.43 -0.15 0.00 -0.02 0.00 0.00 41.12 42.99 1b6z n ASP 95 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1b6z s VAL 96 N -3.31 2.35 0.26 2.53 0.11 -1.14 -4.98 120.40 116.22 1b6z s VAL 96 Ca -0.01 -1.63 0.03 0.00 -2.93 0.00 0.00 61.98 57.43 1b6z s VAL 96 Cb 0.14 -2.40 0.35 0.00 -1.53 0.00 0.00 36.38 32.94 1b6z s VAL 96 CO 0.87 -0.09 1.31 -2.65 -3.33 0.00 0.00 175.10 171.22 1b6z n PRO 97 N 4.46 -0.07 -0.27 1.54 -0.02 -1.26 -0.61 135.00 138.77 1b6z n PRO 97 Ca -0.13 1.25 0.22 0.00 -2.02 0.00 0.00 63.50 62.82 1b6z n PRO 97 Cb 0.42 -2.00 0.54 0.00 -0.02 0.00 0.00 33.50 32.44 1b6z n PRO 97 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1b6z h TYR 98 N 0.00 0.51 -0.36 6.00 5.03 -1.95 -0.87 116.97 125.33 1b6z h TYR 98 Ca 0.52 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.85 1b6z h TYR 98 Cb 1.10 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 39.23 1b6z h TYR 98 CO -0.40 0.10 0.00 1.19 -1.32 0.00 0.00 178.16 177.73 1b6z n PHE 99 N -4.51 0.70 -0.29 -3.82 3.72 0.22 -4.14 117.46 109.33 1b6z n PHE 99 Ca 0.22 -0.30 -0.05 0.00 -0.05 0.00 0.00 57.45 57.27 1b6z n PHE 99 Cb 0.82 -0.10 0.08 0.00 -0.94 0.00 0.00 39.48 39.34 1b6z n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b6z h ALA 100 N 3.50 1.10 -0.13 4.37 0.00 -1.28 -3.29 119.26 123.53 1b6z h ALA 100 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1b6z h ALA 100 Cb 0.75 -0.32 -0.27 0.00 0.00 0.00 0.00 17.79 17.95 1b6z h ALA 100 CO 0.08 0.66 -0.86 -0.40 0.00 0.00 0.00 179.25 178.73 1b6z n ASP 101 N -4.29 1.67 -3.75 0.00 5.68 -1.26 -5.01 116.55 109.60 1b6z n ASP 101 Ca 0.08 -2.76 -0.20 0.00 -0.50 0.00 0.00 54.79 51.41 1b6z n ASP 101 Cb 0.16 -0.40 -0.17 0.00 -1.14 0.00 0.00 41.12 39.57 1b6z n ASP 101 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1b6z s VAL 102 N -1.97 0.13 0.23 2.12 1.01 -1.24 -5.12 120.40 115.57 1b6z s VAL 102 Ca 0.36 0.23 -0.32 0.00 0.00 0.00 0.00 61.98 62.25 1b6z s VAL 102 Cb 0.38 -0.31 -0.12 0.00 0.00 0.00 0.00 36.38 36.33 1b6z s VAL 102 CO -0.10 0.19 1.64 0.52 0.00 0.00 0.00 175.10 177.35 1b6z n VAL 103 N 4.90 0.42 -0.76 2.92 0.31 -1.26 -4.66 118.33 120.20 1b6z n VAL 103 Ca -0.12 -0.10 -0.06 0.00 -0.01 0.00 0.00 64.34 64.05 1b6z n VAL 103 Cb 0.50 -1.89 -0.09 0.00 -0.91 0.00 0.00 33.84 31.45 1b6z n VAL 103 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1b6z n SER 104 N 3.16 5.22 -4.62 4.52 3.41 -1.26 -4.69 113.62 119.36 1b6z n SER 104 Ca 0.13 -2.43 -0.29 0.00 -0.26 0.00 0.00 58.87 56.02 1b6z n SER 104 Cb 0.34 -1.27 0.19 0.00 -0.26 0.00 0.00 64.21 63.22 1b6z n SER 104 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1b6z s THR 105 N 0.56 2.18 0.32 6.66 -4.23 -1.26 -4.77 115.64 115.09 1b6z s THR 105 Ca 0.35 0.06 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 1b6z s THR 105 Cb 0.17 -2.38 0.21 0.00 1.34 0.00 0.00 72.50 71.85 1b6z s THR 105 CO 0.00 -0.07 1.93 0.74 -0.54 0.00 0.00 174.62 176.67 1b6z h THR 106 N -2.07 1.19 -0.10 3.99 2.02 -1.99 -1.04 112.91 114.90 1b6z h THR 106 Ca -0.55 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.12 1b6z h THR 106 Cb 1.32 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 1b6z h THR 106 CO 0.54 0.22 -0.07 -0.33 0.37 0.00 0.00 175.52 176.25 1b6z h GLU 107 N 0.82 -0.07 0.00 6.66 3.07 -1.96 -0.71 114.58 122.39 1b6z h GLU 107 Ca 0.20 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 1b6z h GLU 107 Cb 0.08 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 1b6z h GLU 107 CO -0.03 -0.05 -0.29 -0.91 -1.40 0.00 0.00 179.01 176.33 1b6z h ASN 108 N -0.08 0.00 -0.32 1.42 2.35 -1.67 -1.39 115.58 115.89 1b6z h ASN 108 Ca 0.07 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.65 1b6z h ASN 108 Cb 0.17 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1b6z h ASN 108 CO -0.15 0.29 -0.45 0.58 -1.65 0.00 0.00 177.43 176.05 1b6z h VAL 109 N 0.00 1.28 -0.36 2.81 2.07 -0.82 -0.36 116.25 120.87 1b6z h VAL 109 Ca -0.00 -1.63 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 1b6z h VAL 109 Cb 0.74 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1b6z h VAL 109 CO 0.04 0.54 0.17 0.00 0.02 0.00 0.00 177.57 178.34 1b6z h ALA 110 N 0.71 0.47 -0.35 1.67 0.00 -0.69 -0.95 119.26 120.12 1b6z h ALA 110 Ca 0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1b6z h ALA 110 Cb 1.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1b6z h ALA 110 CO 0.11 0.03 0.21 0.28 0.00 0.00 0.00 179.25 179.87 1b6z h VAL 111 N 0.45 1.12 -0.50 0.00 2.07 -1.21 0.21 116.25 118.39 1b6z h VAL 111 Ca 0.12 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1b6z h VAL 111 Cb 0.12 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1b6z h VAL 111 CO -0.02 0.12 0.24 0.22 0.02 0.00 0.00 177.57 178.15 1b6z h TYR 112 N 0.45 0.43 -0.44 1.57 3.20 -0.88 -1.04 116.97 120.25 1b6z h TYR 112 Ca 0.12 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1b6z h TYR 112 Cb 0.02 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1b6z h TYR 112 CO -0.04 0.19 0.02 0.82 -1.64 0.00 0.00 178.16 177.52 1b6z h ILE 113 N 0.46 1.26 -0.10 1.81 2.04 -0.95 -2.21 117.51 119.82 1b6z h ILE 113 Ca 0.23 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 65.13 1b6z h ILE 113 Cb 0.16 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1b6z h ILE 113 CO -0.18 0.34 -0.20 -0.25 0.00 0.00 0.00 178.15 177.87 1b6z h TRP 114 N 0.61 -0.51 -0.75 1.37 2.91 -0.44 -1.92 115.95 117.22 1b6z h TRP 114 Ca 0.13 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.19 1b6z h TRP 114 Cb 0.46 0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 29.31 1b6z h TRP 114 CO 0.03 -0.27 0.49 0.93 -1.03 0.00 0.00 178.44 178.59 1b6z h GLU 115 N -0.26 0.96 -0.30 2.65 5.08 -1.10 -0.76 114.58 120.84 1b6z h GLU 115 Ca 0.09 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1b6z h GLU 115 Cb 0.39 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1b6z h GLU 115 CO -0.25 0.63 0.14 -0.91 -1.00 0.00 0.00 179.01 177.62 1b6z h ASN 116 N 0.99 0.20 -0.67 1.42 4.21 -1.15 -2.63 115.58 117.95 1b6z h ASN 116 Ca 0.28 0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.75 1b6z h ASN 116 Cb -0.07 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.08 1b6z h ASN 116 CO -0.08 0.15 0.18 -0.07 -1.29 0.00 0.00 177.43 176.33 1b6z h LEU 117 N 0.30 0.99 -1.00 1.61 3.38 -0.94 -2.84 115.31 116.81 1b6z h LEU 117 Ca 0.13 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.98 1b6z h LEU 117 Cb 0.05 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 1b6z h LEU 117 CO -0.10 0.96 0.63 1.56 0.09 0.00 0.00 178.44 181.58 1b6z h GLN 118 N 0.98 1.01 0.00 1.13 1.08 -0.85 0.13 115.11 118.60 1b6z h GLN 118 Ca 0.21 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1b6z h GLN 118 Cb 0.33 -0.23 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1b6z h GLN 118 CO -0.00 0.67 -0.02 0.00 -0.95 0.00 0.00 178.83 178.53 1b6z h ARG 119 N 1.04 0.00 0.00 1.46 3.08 -1.22 -3.30 114.38 115.43 1b6z h ARG 119 Ca 0.48 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.16 1b6z h ARG 119 Cb 0.40 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1b6z h ARG 119 CO -0.24 0.02 -2.34 1.28 -1.07 0.00 0.00 179.97 177.62 1b6z n LEU 120 N -4.07 2.68 -4.80 3.04 4.32 -0.09 -5.05 117.00 113.03 1b6z n LEU 120 Ca -0.03 -0.02 -0.31 0.00 -0.02 0.00 0.00 56.01 55.63 1b6z n LEU 120 Cb 0.10 -0.79 0.06 0.00 -1.62 0.00 0.00 43.42 41.17 1b6z n LEU 120 CO 0.30 0.80 0.71 -0.76 -1.22 0.00 0.00 177.39 177.22 1b6z s LEU 121 N -6.60 3.15 0.48 2.23 1.02 0.27 -5.02 118.68 114.21 1b6z s LEU 121 Ca -0.32 1.72 -0.23 0.00 0.02 0.00 0.00 54.13 55.32 1b6z s LEU 121 Cb 0.09 -4.51 -0.07 0.00 0.02 0.00 0.00 46.19 41.73 1b6z s LEU 121 CO 0.51 -1.61 1.29 -2.84 0.02 0.00 0.00 176.35 173.73 1b6z s PRO 122 N -4.85 3.53 0.14 1.29 0.02 -1.26 -4.91 135.00 128.96 1b6z s PRO 122 Ca 0.60 2.08 -0.35 0.00 0.02 0.00 0.00 61.00 63.36 1b6z s PRO 122 Cb -0.15 -2.43 -0.15 0.00 0.02 0.00 0.00 34.50 31.79 1b6z s PRO 122 CO 0.53 -0.83 1.50 0.28 -0.33 0.00 0.00 177.00 178.15 1b6z n VAL 123 N -0.58 0.01 -0.58 3.83 0.31 -1.26 -1.39 118.33 118.67 1b6z n VAL 123 Ca 0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1b6z n VAL 123 Cb 0.45 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1b6z n VAL 123 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b6z n GLY 124 N 3.11 1.64 0.12 2.92 0.00 -1.26 -4.92 105.19 106.79 1b6z n GLY 124 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1b6z n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b6z h ALA 125 N 0.00 0.18 -2.44 4.61 0.00 -1.49 -3.44 119.26 116.68 1b6z h ALA 125 Ca 0.00 -0.28 -0.54 0.00 0.00 0.00 0.00 54.91 54.10 1b6z h ALA 125 Cb 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1b6z h ALA 125 CO 0.00 -0.01 0.83 -1.17 0.00 0.00 0.00 179.25 178.90 1b6z s LEU 126 N -9.23 4.34 -0.09 0.00 2.96 -1.26 -1.51 118.68 113.89 1b6z s LEU 126 Ca -0.14 2.24 -0.01 0.00 -0.22 0.00 0.00 54.13 56.00 1b6z s LEU 126 Cb 0.05 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1b6z s LEU 126 CO 0.73 -0.73 -0.09 0.00 -1.32 0.00 0.00 176.35 174.95 1b6z n TYR 127 N 4.99 0.00 -3.62 5.38 9.36 -0.19 -4.88 117.16 128.20 1b6z n TYR 127 Ca 0.13 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.19 1b6z n TYR 127 Cb 0.43 -0.33 -0.07 0.00 -0.63 0.00 0.00 39.34 38.74 1b6z n TYR 127 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 1b6z s LYS 128 N -2.17 0.89 -0.12 2.98 2.20 -0.99 -4.67 119.74 117.86 1b6z s LYS 128 Ca -0.12 0.05 -0.01 0.00 -0.36 0.00 0.00 55.97 55.54 1b6z s LYS 128 Cb 0.03 0.41 0.03 0.00 -1.51 0.00 0.00 37.83 36.80 1b6z s LYS 128 CO 0.19 -0.27 -0.07 0.08 -0.36 0.00 0.00 175.35 174.92 1b6z s VAL 129 N -1.29 1.01 -0.13 4.02 1.01 -0.74 -0.98 120.40 123.31 1b6z s VAL 129 Ca -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1b6z s VAL 129 Cb -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1b6z s VAL 129 CO 0.07 0.31 -0.20 -0.75 0.00 0.00 0.00 175.10 174.53 1b6z s LYS 130 N 1.71 3.12 -0.16 2.72 2.20 -0.41 -1.03 119.74 127.89 1b6z s LYS 130 Ca 0.04 -0.82 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 1b6z s LYS 130 Cb -0.13 -2.45 0.02 0.00 -1.51 0.00 0.00 37.83 33.75 1b6z s LYS 130 CO -0.08 0.10 -0.20 0.08 -0.36 0.00 0.00 175.35 174.88 1b6z s VAL 131 N 0.57 2.00 -0.43 4.02 1.01 0.17 -0.92 120.40 126.82 1b6z s VAL 131 Ca -0.12 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.78 1b6z s VAL 131 Cb -0.16 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.45 1b6z s VAL 131 CO 0.04 0.53 0.41 -0.31 0.00 0.00 0.00 175.10 175.77 1b6z s TYR 132 N 1.10 3.19 0.09 5.22 1.51 0.11 -1.39 117.35 127.18 1b6z s TYR 132 Ca -0.00 -0.53 -0.14 0.00 -1.01 0.00 0.00 57.07 55.39 1b6z s TYR 132 Cb -0.14 -2.91 -0.17 0.00 -0.11 0.00 0.00 41.96 38.62 1b6z s TYR 132 CO -0.08 -0.72 1.27 1.49 -1.11 0.00 0.00 175.55 176.41 1b6z h GLU 133 N 8.73 0.74 -4.44 -0.62 4.81 -1.25 -1.66 114.58 120.88 1b6z h GLU 133 Ca -0.27 -0.63 -0.33 0.00 -0.13 0.00 0.00 59.36 58.01 1b6z h GLU 133 Cb 1.11 0.14 -0.11 0.00 0.63 0.00 0.00 28.75 30.52 1b6z h GLU 133 CO 0.81 1.23 -0.35 0.95 -0.73 0.00 0.00 179.01 180.91 1b6z s THR 134 N -3.67 0.00 0.56 0.32 -4.23 -1.21 -4.48 115.64 102.93 1b6z s THR 134 Ca -0.11 -1.79 0.24 0.00 -1.18 0.00 0.00 61.69 58.86 1b6z s THR 134 Cb 0.08 -2.54 0.32 0.00 1.34 0.00 0.00 72.50 71.69 1b6z s THR 134 CO 0.89 0.00 2.21 0.44 -0.54 0.00 0.00 174.62 177.62 1b6z h ASP 135 N 2.20 0.00 -0.01 3.99 3.32 -1.94 -3.07 116.42 120.91 1b6z h ASP 135 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1b6z h ASP 135 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1b6z h ASP 135 CO 0.40 0.01 -0.53 0.59 -1.72 0.00 0.00 179.24 177.98 1b6z n ASN 136 N -4.12 1.51 -4.01 6.45 3.02 -1.26 -4.87 115.26 111.97 1b6z n ASN 136 Ca -0.03 -1.25 -0.31 0.00 -0.03 0.00 0.00 54.58 52.95 1b6z n ASN 136 Cb 0.09 0.63 -0.15 0.00 -0.61 0.00 0.00 39.78 39.74 1b6z n ASN 136 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1b6z s ASN 137 N -2.31 3.91 -0.02 6.41 0.02 -1.16 -5.09 114.94 116.70 1b6z s ASN 137 Ca 0.13 -1.16 0.04 0.00 -1.02 0.00 0.00 52.86 50.85 1b6z s ASN 137 Cb 0.15 -1.34 -0.01 0.00 0.02 0.00 0.00 41.25 40.07 1b6z s ASN 137 CO 0.55 -0.18 -0.13 -0.63 0.02 0.00 0.00 177.10 176.73 1b6z s ILE 138 N 1.28 1.04 -0.05 0.60 1.01 -1.26 -0.78 121.20 123.04 1b6z s ILE 138 Ca -0.05 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1b6z s ILE 138 Cb -0.18 -0.88 -0.00 0.00 0.01 0.00 0.00 42.46 41.40 1b6z s ILE 138 CO -0.07 0.30 -0.19 -0.69 0.00 0.00 0.00 174.94 174.30 1b6z s VAL 139 N -0.17 1.56 -0.12 2.92 1.01 -0.48 -4.99 120.40 120.13 1b6z s VAL 139 Ca 0.02 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1b6z s VAL 139 Cb -0.07 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1b6z s VAL 139 CO -0.00 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 1b6z s VAL 140 N 0.01 2.92 -0.06 2.92 1.01 -1.26 -0.66 120.40 125.28 1b6z s VAL 140 Ca -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1b6z s VAL 140 Cb -0.12 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1b6z s VAL 140 CO 0.03 0.53 -0.14 -0.47 0.00 0.00 0.00 175.10 175.05 1b6z s TYR 141 N 0.30 1.53 -0.15 5.22 5.04 -0.20 -5.01 117.35 124.08 1b6z s TYR 141 Ca -0.11 -0.54 0.14 0.00 -2.44 0.00 0.00 57.07 54.12 1b6z s TYR 141 Cb -0.16 -1.10 0.37 0.00 0.35 0.00 0.00 41.96 41.43 1b6z s TYR 141 CO 0.06 -0.25 1.19 1.63 -1.34 0.00 0.00 175.55 176.83 1b6z n LYS 142 N 3.65 1.22 -1.02 4.97 5.02 -1.26 -1.79 118.16 128.95 1b6z n LYS 142 Ca -0.22 -2.86 -0.01 0.00 -2.02 0.00 0.00 58.31 53.20 1b6z n LYS 142 Cb 0.52 -1.31 -0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1b6z n LYS 142 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b6z n GLY 143 N -0.90 0.48 0.81 0.72 0.00 -1.26 -4.95 105.19 100.09 1b6z n GLY 143 Ca 0.16 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.97 1b6z n GLY 143 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50