#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlq h PRO 21 N 0.00 0.56 0.00 -0.24 0.11 -1.92 -2.17 132.00 128.33 3dlq h PRO 21 Ca 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3dlq h PRO 21 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 3dlq h PRO 21 CO 0.00 0.70 0.00 0.45 -0.21 0.00 0.00 178.00 178.94 3dlq n SER 22 N -4.17 0.41 0.15 -2.05 2.88 -1.26 -1.00 113.62 108.58 3dlq n SER 22 Ca 0.00 0.62 0.12 0.00 -1.33 0.00 0.00 58.87 58.28 3dlq n SER 22 Cb 0.36 -0.70 0.13 0.00 -0.75 0.00 0.00 64.21 63.24 3dlq n SER 22 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3dlq h ASP 23 N 0.00 0.00 0.00 -3.46 3.32 -1.79 -3.35 116.42 111.14 3dlq h ASP 23 Ca 0.00 -0.03 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 3dlq h ASP 23 Cb 0.24 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3dlq h ASP 23 CO 0.00 0.01 -1.87 0.18 -1.72 0.00 0.00 179.24 175.85 3dlq n LEU 24 N -2.74 0.00 -3.98 1.55 4.77 -0.49 -1.16 117.00 114.95 3dlq n LEU 24 Ca 0.03 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.86 3dlq n LEU 24 Cb 0.52 0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.69 3dlq n LEU 24 CO 0.36 0.22 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.49 3dlq s LEU 25 N -4.69 2.07 0.18 2.23 1.43 -0.17 -1.27 118.68 118.46 3dlq s LEU 25 Ca -0.06 -0.20 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 3dlq s LEU 25 Cb 0.06 -0.23 0.03 0.00 0.03 0.00 0.00 46.19 46.08 3dlq s LEU 25 CO 0.59 -0.00 0.50 0.00 0.23 0.00 0.00 176.35 177.67 3dlq s GLN 26 N -0.45 1.30 -1.48 1.70 -2.07 -0.65 -4.10 119.66 113.91 3dlq s GLN 26 Ca -0.01 -0.81 -0.05 0.00 -1.82 0.00 0.00 55.36 52.67 3dlq s GLN 26 Cb -0.04 0.51 0.04 0.00 -1.09 0.00 0.00 33.01 32.44 3dlq s GLN 26 CO -0.00 -0.54 0.52 0.72 -1.32 0.00 0.00 175.29 174.67 3dlq n HIS 27 N -0.32 -1.69 -2.72 9.60 8.25 -1.26 -1.25 115.22 125.83 3dlq n HIS 27 Ca -0.12 0.76 -0.43 0.00 -0.26 0.00 0.00 57.72 57.68 3dlq n HIS 27 Cb 0.63 -3.56 -0.03 0.00 1.12 0.00 0.00 29.99 28.15 3dlq n HIS 27 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dlq s VAL 28 N -3.78 4.38 -0.11 1.59 1.01 -1.26 -4.00 120.40 118.23 3dlq s VAL 28 Ca 0.21 1.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 3dlq s VAL 28 Cb -0.11 -4.49 0.08 0.00 0.00 0.00 0.00 36.38 31.86 3dlq s VAL 28 CO 0.90 -0.85 0.76 -0.75 0.00 0.00 0.00 175.10 175.16 3dlq s LYS 29 N 4.01 0.92 0.06 2.72 2.20 -0.16 -4.52 119.74 124.97 3dlq s LYS 29 Ca 0.42 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 3dlq s LYS 29 Cb -0.09 0.43 -0.05 0.00 -1.51 0.00 0.00 37.83 36.61 3dlq s LYS 29 CO 0.27 -0.26 1.04 -0.06 -0.36 0.00 0.00 175.35 175.98 3dlq s PHE 30 N -0.94 3.64 -0.21 4.03 0.08 -1.26 -0.80 117.98 122.52 3dlq s PHE 30 Ca -0.07 1.62 -0.08 0.00 0.12 0.00 0.00 56.93 58.51 3dlq s PHE 30 Cb -0.01 -3.19 -0.04 0.00 -0.57 0.00 0.00 43.02 39.21 3dlq s PHE 30 CO 0.07 -0.32 0.09 -0.65 -0.10 0.00 0.00 175.22 174.31 3dlq s GLN 31 N 0.60 3.97 -0.07 0.44 -0.21 0.30 -4.94 119.66 119.75 3dlq s GLN 31 Ca 0.52 -0.33 -0.01 0.00 0.02 0.00 0.00 55.36 55.56 3dlq s GLN 31 Cb -0.25 -3.33 0.03 0.00 1.00 0.00 0.00 33.01 30.46 3dlq s GLN 31 CO 0.30 0.15 -0.02 0.45 -2.12 0.00 0.00 175.29 174.05 3dlq s SER 32 N 0.73 1.47 -0.05 5.90 0.15 -1.26 -0.73 113.70 119.91 3dlq s SER 32 Ca 0.05 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3dlq s SER 32 Cb -0.13 -0.47 0.03 0.00 -1.71 0.00 0.00 66.02 63.73 3dlq s SER 32 CO 0.02 -0.15 -0.02 -0.44 1.20 0.00 0.00 173.24 173.85 3dlq s SER 33 N 1.69 0.97 -1.75 5.45 0.01 -0.88 -1.51 113.70 117.69 3dlq s SER 33 Ca 0.01 -0.08 -0.20 0.00 1.31 0.00 0.00 55.95 56.99 3dlq s SER 33 Cb -0.13 -0.37 0.19 0.00 0.21 0.00 0.00 66.02 65.92 3dlq s SER 33 CO -0.04 -0.11 0.71 0.59 0.41 0.00 0.00 173.24 174.79 3dlq n ASN 34 N 4.41 -2.76 -0.00 2.44 4.13 0.18 -1.02 115.26 122.63 3dlq n ASN 34 Ca -0.20 -1.07 -0.00 0.00 1.68 0.00 0.00 54.58 54.99 3dlq n ASN 34 Cb 0.50 -2.30 -0.00 0.00 -1.54 0.00 0.00 39.78 36.44 3dlq n ASN 34 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3dlq n PHE 35 N -4.23 0.00 -2.98 3.10 3.72 -1.26 -4.27 117.46 111.54 3dlq n PHE 35 Ca 0.09 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 3dlq n PHE 35 Cb 0.47 -0.70 -0.05 0.00 -0.94 0.00 0.00 39.48 38.26 3dlq n PHE 35 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3dlq s GLU 36 N -0.70 3.81 -0.29 -1.08 2.56 -0.19 -4.73 118.70 118.07 3dlq s GLU 36 Ca 0.00 0.35 0.01 0.00 0.00 0.00 0.00 54.97 55.33 3dlq s GLU 36 Cb 0.00 -3.78 0.06 0.00 2.00 0.00 0.00 34.13 32.41 3dlq s GLU 36 CO 0.00 -0.77 -0.03 -0.80 -0.56 0.00 0.00 175.26 173.10 3dlq s ASN 37 N 1.76 4.71 -0.21 -1.70 0.01 -1.26 -2.07 114.94 116.19 3dlq s ASN 37 Ca 0.30 -1.46 -0.03 0.00 -0.71 0.00 0.00 52.86 50.96 3dlq s ASN 37 Cb -0.14 -1.64 -0.01 0.00 0.41 0.00 0.00 41.25 39.88 3dlq s ASN 37 CO 0.15 -0.26 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.79 3dlq s ILE 38 N 1.15 3.23 0.10 0.60 1.01 0.09 -1.33 121.20 126.04 3dlq s ILE 38 Ca -0.04 -0.54 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 3dlq s ILE 38 Cb -0.20 -2.46 -0.07 0.00 0.01 0.00 0.00 42.46 39.74 3dlq s ILE 38 CO -0.04 0.44 1.24 -0.22 0.00 0.00 0.00 174.94 176.36 3dlq s LEU 39 N 1.43 4.39 0.07 2.97 2.96 0.18 -0.54 118.68 130.14 3dlq s LEU 39 Ca 0.05 2.14 0.03 0.00 -0.22 0.00 0.00 54.13 56.13 3dlq s LEU 39 Cb -0.14 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3dlq s LEU 39 CO -0.04 -0.49 -0.09 0.42 -1.32 0.00 0.00 176.35 174.83 3dlq s THR 40 N 0.81 0.76 0.24 3.68 -4.23 0.02 -1.01 115.64 115.90 3dlq s THR 40 Ca 0.59 -1.39 -0.15 0.00 -1.18 0.00 0.00 61.69 59.56 3dlq s THR 40 Cb -0.32 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.50 3dlq s THR 40 CO 0.31 -0.47 0.53 -1.66 -0.54 0.00 0.00 174.62 172.78 3dlq s TRP 41 N -1.96 0.16 0.21 3.99 -2.14 -0.95 -0.98 118.94 117.26 3dlq s TRP 41 Ca -0.02 -0.54 0.04 0.00 2.66 0.00 0.00 56.10 58.24 3dlq s TRP 41 Cb -0.06 0.32 -0.05 0.00 -3.10 0.00 0.00 33.47 30.58 3dlq s TRP 41 CO -0.00 -1.02 -0.03 0.34 -2.66 0.00 0.00 176.95 173.58 3dlq s ASP 42 N -2.97 1.82 0.42 -2.66 -1.08 -0.38 -4.82 116.67 107.01 3dlq s ASP 42 Ca 0.17 -1.17 -0.22 0.00 -0.52 0.00 0.00 52.55 50.82 3dlq s ASP 42 Cb -0.02 0.00 -0.10 0.00 -1.46 0.00 0.00 42.92 41.35 3dlq s ASP 42 CO 0.06 -0.47 0.98 -0.94 0.52 0.00 0.00 175.17 175.32 3dlq s SER 43 N -3.27 6.86 0.93 -0.34 1.04 -1.26 -1.63 113.70 116.02 3dlq s SER 43 Ca 0.26 1.79 -0.12 0.00 0.48 0.00 0.00 55.95 58.36 3dlq s SER 43 Cb 0.05 -2.55 0.20 0.00 0.10 0.00 0.00 66.02 63.81 3dlq s SER 43 CO 0.07 -0.42 1.20 0.61 0.98 0.00 0.00 173.24 175.68 3dlq n GLY 44 N -0.31 -0.92 0.28 7.32 0.00 -0.39 -4.64 105.19 106.52 3dlq n GLY 44 Ca 0.07 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3dlq n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dlq h PRO 45 N 0.00 0.56 0.00 1.61 0.11 -1.77 -3.30 132.00 129.21 3dlq h PRO 45 Ca -0.39 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3dlq h PRO 45 Cb 1.15 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dlq h PRO 45 CO 0.31 0.54 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 3dlq n GLU 46 N -4.31 0.66 -0.86 1.05 1.02 -0.31 -4.94 120.64 112.95 3dlq n GLU 46 Ca 0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3dlq n GLU 46 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3dlq n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dlq n GLY 47 N 0.58 0.20 3.63 0.62 0.00 -1.24 -5.00 105.19 103.97 3dlq n GLY 47 Ca 0.17 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 3dlq n GLY 47 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dlq s THR 48 N -1.28 0.00 -0.40 2.61 -1.32 -1.26 -4.19 115.64 109.80 3dlq s THR 48 Ca 0.00 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 60.66 3dlq s THR 48 Cb 0.00 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.17 3dlq s THR 48 CO 0.00 0.00 1.54 -0.81 -2.21 0.00 0.00 174.62 173.14 3dlq n PRO 49 N 1.98 0.12 -1.63 7.08 -0.04 -1.26 -2.90 135.00 138.35 3dlq n PRO 49 Ca -0.12 0.58 -0.37 0.00 -0.04 0.00 0.00 63.50 63.55 3dlq n PRO 49 Cb 0.56 -1.86 0.06 0.00 -0.04 0.00 0.00 33.50 32.22 3dlq n PRO 49 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3dlq n ASP 50 N -2.10 7.60 -4.31 3.54 5.75 -1.26 -4.99 116.55 120.78 3dlq n ASP 50 Ca -0.01 -3.80 -0.31 0.00 -0.01 0.00 0.00 54.79 50.66 3dlq n ASP 50 Cb 0.05 -1.03 -0.16 0.00 -1.03 0.00 0.00 41.12 38.95 3dlq n ASP 50 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3dlq s THR 51 N -4.89 2.09 0.16 2.12 2.01 -1.14 -0.62 115.64 115.37 3dlq s THR 51 Ca 0.58 -1.09 0.09 0.00 0.31 0.00 0.00 61.69 61.58 3dlq s THR 51 Cb 0.47 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 3dlq s THR 51 CO -0.22 0.58 -0.19 0.68 -0.69 0.00 0.00 174.62 174.78 3dlq s VAL 52 N -0.56 1.84 0.04 3.82 -7.23 -0.49 -4.67 120.40 113.15 3dlq s VAL 52 Ca 0.08 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 58.47 3dlq s VAL 52 Cb -0.10 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.99 3dlq s VAL 52 CO -0.00 -0.26 -0.23 -0.31 -0.31 0.00 0.00 175.10 173.98 3dlq s TYR 53 N -1.89 2.04 -0.05 2.82 2.02 0.12 -0.75 117.35 121.65 3dlq s TYR 53 Ca 0.15 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.47 3dlq s TYR 53 Cb -0.06 -1.22 0.02 0.00 -0.40 0.00 0.00 41.96 40.29 3dlq s TYR 53 CO 0.06 0.11 -0.09 -1.12 -1.57 0.00 0.00 175.55 172.94 3dlq s SER 54 N -1.19 1.41 -0.10 2.29 0.01 -0.42 -0.71 113.70 114.99 3dlq s SER 54 Ca 0.09 -0.23 -0.01 0.00 1.31 0.00 0.00 55.95 57.12 3dlq s SER 54 Cb -0.09 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 3dlq s SER 54 CO 0.02 0.01 -0.04 -0.63 0.41 0.00 0.00 173.24 173.00 3dlq s ILE 55 N 0.70 3.93 0.12 1.44 1.09 -0.31 -1.40 121.20 126.77 3dlq s ILE 55 Ca -0.13 -0.38 0.04 0.00 -1.10 0.00 0.00 60.65 59.08 3dlq s ILE 55 Cb -0.15 -2.65 -0.04 0.00 -1.06 0.00 0.00 42.46 38.56 3dlq s ILE 55 CO 0.02 0.57 -0.10 -1.61 -0.10 0.00 0.00 174.94 173.72 3dlq s GLU 56 N -0.47 0.96 0.07 2.79 2.02 -0.79 -1.72 118.70 121.56 3dlq s GLU 56 Ca 0.07 -1.35 -0.03 0.00 0.02 0.00 0.00 54.97 53.69 3dlq s GLU 56 Cb -0.12 -0.52 -0.03 0.00 0.10 0.00 0.00 34.13 33.55 3dlq s GLU 56 CO 0.02 0.06 0.04 1.52 0.02 0.00 0.00 175.26 176.92 3dlq s TYR 57 N -3.13 0.48 0.13 1.61 -0.85 0.11 -0.97 117.35 114.72 3dlq s TYR 57 Ca 0.13 -0.98 -0.14 0.00 -0.52 0.00 0.00 57.07 55.56 3dlq s TYR 57 Cb 0.02 -0.32 0.03 0.00 0.38 0.00 0.00 41.96 42.06 3dlq s TYR 57 CO -0.01 -0.44 0.36 -1.59 -1.52 0.00 0.00 175.55 172.36 3dlq s LYS 58 N -3.92 1.06 -0.08 -3.49 -2.85 -0.48 -0.11 119.74 109.85 3dlq s LYS 58 Ca 0.09 -0.79 -0.20 0.00 -1.00 0.00 0.00 55.97 54.07 3dlq s LYS 58 Cb 0.07 0.44 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 3dlq s LYS 58 CO -0.08 -0.40 0.54 0.99 0.10 0.00 0.00 175.35 176.49 3dlq s THR 59 N -3.83 5.11 0.11 3.79 2.01 -1.26 -1.23 115.64 120.33 3dlq s THR 59 Ca 0.05 1.10 -0.32 0.00 0.31 0.00 0.00 61.69 62.83 3dlq s THR 59 Cb 0.02 -3.88 -0.11 0.00 0.01 0.00 0.00 72.50 68.54 3dlq s THR 59 CO -0.10 0.34 1.81 0.00 -0.69 0.00 0.00 174.62 175.98 3dlq n TYR 60 N 3.46 2.56 0.00 4.92 9.36 0.33 -1.47 117.16 136.33 3dlq n TYR 60 Ca -0.06 -0.09 0.00 0.00 3.32 0.00 0.00 57.90 61.07 3dlq n TYR 60 Cb 0.51 -2.71 0.00 0.00 -0.63 0.00 0.00 39.34 36.52 3dlq n TYR 60 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3dlq n GLY 61 N 4.16 0.15 3.79 2.98 0.00 -1.26 -4.68 105.19 110.33 3dlq n GLY 61 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 3dlq n GLY 61 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dlq s GLU 62 N -0.99 2.46 -0.19 1.61 2.02 -0.54 -5.09 118.70 117.98 3dlq s GLU 62 Ca 0.00 -1.54 0.08 0.00 0.02 0.00 0.00 54.97 53.54 3dlq s GLU 62 Cb 0.00 -2.26 -0.22 0.00 0.10 0.00 0.00 34.13 31.75 3dlq s GLU 62 CO 0.00 0.01 0.08 0.54 0.02 0.00 0.00 175.26 175.90 3dlq n ARG 63 N -1.30 0.68 -3.45 1.61 1.74 -1.26 -4.83 116.66 109.85 3dlq n ARG 63 Ca -0.01 0.13 -0.37 0.00 -0.77 0.00 0.00 57.85 56.82 3dlq n ARG 63 Cb 0.62 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.41 3dlq n ARG 63 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dlq s ASP 64 N -6.16 6.61 0.33 0.55 1.01 -1.26 -5.07 116.67 112.68 3dlq s ASP 64 Ca -0.20 0.72 -0.22 0.00 0.71 0.00 0.00 52.55 53.55 3dlq s ASP 64 Cb 0.07 -2.23 -0.10 0.00 1.01 0.00 0.00 42.92 41.67 3dlq s ASP 64 CO 0.74 0.11 0.88 0.26 0.21 0.00 0.00 175.17 177.37 3dlq s TRP 65 N 0.19 3.54 -0.09 4.23 0.52 -1.26 -4.68 118.94 121.39 3dlq s TRP 65 Ca 0.22 1.59 0.04 0.00 0.02 0.00 0.00 56.10 57.96 3dlq s TRP 65 Cb -0.15 -2.80 0.00 0.00 -1.15 0.00 0.00 33.47 29.38 3dlq s TRP 65 CO 0.08 0.13 -0.22 0.08 0.02 0.00 0.00 176.95 177.05 3dlq s VAL 66 N -1.80 1.87 0.18 4.03 1.01 0.84 -4.92 120.40 121.61 3dlq s VAL 66 Ca 0.53 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 3dlq s VAL 66 Cb -0.14 -1.62 -0.08 0.00 0.00 0.00 0.00 36.38 34.53 3dlq s VAL 66 CO 0.19 0.52 1.20 0.00 0.00 0.00 0.00 175.10 177.01 3dlq s ALA 67 N 0.40 3.44 -0.44 5.51 0.00 -1.26 -0.72 121.76 128.70 3dlq s ALA 67 Ca -0.18 0.95 -0.25 0.00 0.00 0.00 0.00 51.96 52.49 3dlq s ALA 67 Cb -0.17 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.55 3dlq s ALA 67 CO 0.08 -0.38 0.87 0.21 0.00 0.00 0.00 175.76 176.54 3dlq s LYS 68 N -0.19 3.56 0.20 0.00 2.47 -0.70 -4.94 119.74 120.13 3dlq s LYS 68 Ca 0.53 0.15 -0.32 0.00 -1.56 0.00 0.00 55.97 54.77 3dlq s LYS 68 Cb -0.33 -3.90 -0.11 0.00 -1.46 0.00 0.00 37.83 32.03 3dlq s LYS 68 CO 0.36 -1.12 1.64 0.21 0.16 0.00 0.00 175.35 176.61 3dlq s LYS 69 N 3.52 4.16 0.00 4.03 2.20 -1.26 -1.37 119.74 131.02 3dlq s LYS 69 Ca 0.34 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 3dlq s LYS 69 Cb -0.11 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.10 3dlq s LYS 69 CO 0.23 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 3dlq n GLY 70 N 3.73 1.31 2.34 5.54 0.00 -1.26 -4.90 105.19 111.94 3dlq n GLY 70 Ca 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3dlq n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dlq s GLN 72 N -3.55 3.36 -1.39 0.00 -1.52 -1.25 -1.17 119.66 114.14 3dlq s GLN 72 Ca 0.45 -0.65 -0.03 0.00 -1.95 0.00 0.00 55.36 53.18 3dlq s GLN 72 Cb 0.40 -2.90 0.02 0.00 -0.22 0.00 0.00 33.01 30.31 3dlq s GLN 72 CO -0.06 -0.10 0.68 0.54 -0.25 0.00 0.00 175.29 176.11 3dlq n ARG 73 N 4.48 -4.57 -3.30 2.91 1.74 0.11 -4.95 116.66 113.08 3dlq n ARG 73 Ca -0.18 0.55 -0.27 0.00 -0.77 0.00 0.00 57.85 57.18 3dlq n ARG 73 Cb 0.51 -5.07 -0.02 0.00 -1.02 0.00 0.00 32.46 26.85 3dlq n ARG 73 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3dlq s ILE 74 N -3.66 5.04 -0.67 0.55 -4.36 -0.12 -4.64 121.20 113.34 3dlq s ILE 74 Ca 0.15 -0.09 0.20 0.00 -0.26 0.00 0.00 60.65 60.65 3dlq s ILE 74 Cb -0.08 -3.78 -0.25 0.00 1.25 0.00 0.00 42.46 39.60 3dlq s ILE 74 CO 0.84 -0.43 0.74 0.35 0.24 0.00 0.00 174.94 176.68 3dlq n THR 75 N -1.28 0.00 -2.54 8.37 -2.24 -1.26 0.13 114.28 115.46 3dlq n THR 75 Ca -0.02 -0.16 -0.34 0.00 -2.27 0.00 0.00 64.05 61.25 3dlq n THR 75 Cb 0.55 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 3dlq n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dlq s ARG 76 N -3.08 3.86 -0.43 -0.78 1.70 -1.26 -4.96 118.95 114.00 3dlq s ARG 76 Ca 0.03 1.39 0.05 0.00 -0.47 0.00 0.00 55.73 56.73 3dlq s ARG 76 Cb 0.15 -2.17 0.67 0.00 -0.57 0.00 0.00 34.95 33.03 3dlq s ARG 76 CO 0.85 -0.38 1.89 1.63 -1.08 0.00 0.00 175.30 178.20 3dlq n LYS 77 N -0.81 2.40 -3.88 3.89 5.02 -1.26 -4.89 118.16 118.62 3dlq n LYS 77 Ca 0.09 -3.03 -0.09 0.00 -2.02 0.00 0.00 58.31 53.25 3dlq n LYS 77 Cb 0.52 -2.17 -0.06 0.00 -0.02 0.00 0.00 35.03 33.30 3dlq n LYS 77 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3dlq s SER 78 N -1.33 -0.00 -0.23 4.39 1.04 -1.26 -2.24 113.70 114.07 3dlq s SER 78 Ca 0.56 -0.72 -0.06 0.00 0.48 0.00 0.00 55.95 56.21 3dlq s SER 78 Cb 0.47 0.43 0.11 0.00 0.10 0.00 0.00 66.02 67.14 3dlq s SER 78 CO 0.11 -0.87 0.45 0.00 0.98 0.00 0.00 173.24 173.91 3dlq s ASN 80 N 2.66 6.53 -0.26 0.00 3.84 -1.26 -0.64 114.94 125.80 3dlq s ASN 80 Ca 0.02 1.17 0.11 0.00 0.21 0.00 0.00 52.86 54.37 3dlq s ASN 80 Cb -0.13 -2.54 0.49 0.00 -0.55 0.00 0.00 41.25 38.52 3dlq s ASN 80 CO -0.15 -1.21 1.41 0.18 -2.79 0.00 0.00 177.10 174.55 3dlq n LEU 81 N 8.09 3.80 0.11 3.21 4.77 -0.44 -4.86 117.00 131.68 3dlq n LEU 81 Ca 0.16 -3.67 -0.15 0.00 -0.03 0.00 0.00 56.01 52.32 3dlq n LEU 81 Cb 0.47 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 3dlq n LEU 81 CO 0.65 1.18 0.58 0.74 -1.33 0.00 0.00 177.39 179.22 3dlq h THR 82 N 1.04 0.14 -0.36 -5.08 2.02 -1.83 -1.02 112.91 107.82 3dlq h THR 82 Ca 0.15 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.21 3dlq h THR 82 Cb 1.51 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3dlq h THR 82 CO 0.29 0.00 -0.26 0.58 0.37 0.00 0.00 175.52 176.51 3dlq h VAL 83 N -0.66 1.27 0.00 3.16 2.07 -1.91 -2.39 116.25 117.79 3dlq h VAL 83 Ca 0.02 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3dlq h VAL 83 Cb 0.69 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3dlq h VAL 83 CO -0.25 0.45 -0.04 -0.33 0.02 0.00 0.00 177.57 177.43 3dlq h GLU 84 N 0.64 0.00 -0.23 1.57 3.07 -1.81 -2.53 114.58 115.29 3dlq h GLU 84 Ca 0.08 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.78 3dlq h GLU 84 Cb 0.76 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.55 3dlq h GLU 84 CO 0.06 0.04 -0.53 0.25 -1.40 0.00 0.00 179.01 177.43 3dlq n THR 85 N -3.42 2.34 -0.51 1.13 -2.24 -0.43 -4.79 114.28 106.37 3dlq n THR 85 Ca -0.02 -3.45 0.09 0.00 -2.27 0.00 0.00 64.05 58.40 3dlq n THR 85 Cb 0.16 -0.48 0.31 0.00 -2.10 0.00 0.00 70.33 68.21 3dlq n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dlq n GLY 86 N -1.02 2.78 3.52 3.38 0.00 -0.94 -4.85 105.19 108.07 3dlq n GLY 86 Ca 0.27 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 3dlq n GLY 86 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dlq s ASN 87 N -1.03 6.32 0.00 1.61 3.84 -1.26 -4.67 114.94 119.75 3dlq s ASN 87 Ca 0.45 -0.31 0.09 0.00 0.21 0.00 0.00 52.86 53.30 3dlq s ASN 87 Cb 0.27 -2.30 0.38 0.00 -0.55 0.00 0.00 41.25 39.05 3dlq s ASN 87 CO 0.25 -0.71 1.27 0.18 -2.79 0.00 0.00 177.10 175.30 3dlq n LEU 88 N 6.11 0.00 -0.17 3.21 4.77 -1.26 -1.59 117.00 128.07 3dlq n LEU 88 Ca -0.03 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.55 3dlq n LEU 88 Cb 0.48 -0.48 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 3dlq n LEU 88 CO 0.51 -0.34 0.32 0.35 -1.33 0.00 0.00 177.39 176.90 3dlq n THR 89 N -1.48 0.00 -3.71 -5.08 -2.24 -1.26 -4.91 114.28 95.60 3dlq n THR 89 Ca 0.02 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.50 3dlq n THR 89 Cb 0.10 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3dlq n THR 89 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3dlq s GLU 90 N -2.77 2.67 0.29 -0.78 0.41 -0.62 -5.14 118.70 112.76 3dlq s GLU 90 Ca 0.15 -1.37 0.09 0.00 -0.41 0.00 0.00 54.97 53.43 3dlq s GLU 90 Cb 0.18 -2.45 -0.06 0.00 -1.78 0.00 0.00 34.13 30.02 3dlq s GLU 90 CO 0.68 -0.00 -0.11 -0.51 -0.49 0.00 0.00 175.26 174.83 3dlq s LEU 91 N -4.05 2.60 0.16 1.80 1.02 -1.26 -4.71 118.68 114.24 3dlq s LEU 91 Ca 0.44 -1.14 -0.04 0.00 0.02 0.00 0.00 54.13 53.41 3dlq s LEU 91 Cb -0.05 -0.86 -0.03 0.00 0.02 0.00 0.00 46.19 45.27 3dlq s LEU 91 CO 0.27 -0.20 0.17 -0.31 0.02 0.00 0.00 176.35 176.30 3dlq s TYR 92 N -2.77 0.75 0.07 0.29 2.02 -0.74 -0.51 117.35 116.47 3dlq s TYR 92 Ca 0.30 -1.09 0.03 0.00 -0.37 0.00 0.00 57.07 55.94 3dlq s TYR 92 Cb 0.01 -0.33 -0.03 0.00 -0.40 0.00 0.00 41.96 41.21 3dlq s TYR 92 CO 0.13 -0.63 -0.09 0.71 -1.57 0.00 0.00 175.55 174.10 3dlq s TYR 93 N -4.05 0.92 0.22 2.71 1.51 -0.36 -0.54 117.35 117.76 3dlq s TYR 93 Ca 0.25 -0.61 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 3dlq s TYR 93 Cb 0.06 -0.52 -0.05 0.00 -0.11 0.00 0.00 41.96 41.33 3dlq s TYR 93 CO 0.04 -0.04 -0.09 0.00 -1.11 0.00 0.00 175.55 174.34 3dlq s ALA 94 N -2.08 2.01 0.02 3.71 0.00 -1.26 -1.39 121.76 122.78 3dlq s ALA 94 Ca -0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 51.96 50.20 3dlq s ALA 94 Cb -0.05 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 3dlq s ALA 94 CO -0.00 -0.04 0.06 -0.98 0.00 0.00 0.00 175.76 174.80 3dlq s ARG 95 N -3.71 0.47 -0.09 0.00 1.70 -0.14 -1.13 118.95 116.04 3dlq s ARG 95 Ca 0.25 -0.64 0.03 0.00 -0.47 0.00 0.00 55.73 54.90 3dlq s ARG 95 Cb 0.02 0.18 0.01 0.00 -0.57 0.00 0.00 34.95 34.59 3dlq s ARG 95 CO 0.08 -0.10 -0.19 0.08 -1.08 0.00 0.00 175.30 174.09 3dlq s VAL 96 N -1.97 1.68 -0.23 4.99 1.01 -0.43 -1.89 120.40 123.56 3dlq s VAL 96 Ca -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 3dlq s VAL 96 Cb -0.05 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.85 3dlq s VAL 96 CO -0.02 0.48 -0.04 -0.89 0.00 0.00 0.00 175.10 174.62 3dlq s THR 97 N 0.58 3.23 -0.07 3.92 2.01 -0.49 -1.25 115.64 123.56 3dlq s THR 97 Ca -0.15 -0.69 -0.13 0.00 0.31 0.00 0.00 61.69 61.03 3dlq s THR 97 Cb -0.17 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 3dlq s THR 97 CO 0.05 0.33 0.33 0.00 -0.69 0.00 0.00 174.62 174.64 3dlq s ALA 98 N 1.43 3.69 -0.10 7.40 0.00 0.92 -1.30 121.76 133.80 3dlq s ALA 98 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.64 3dlq s ALA 98 Cb -0.15 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 20.67 3dlq s ALA 98 CO -0.04 0.37 -0.06 0.08 0.00 0.00 0.00 175.76 176.11 3dlq s VAL 99 N -0.54 0.87 0.33 0.00 1.01 0.07 -1.72 120.40 120.41 3dlq s VAL 99 Ca 0.20 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 3dlq s VAL 99 Cb -0.15 -0.90 -0.06 0.00 0.00 0.00 0.00 36.38 35.27 3dlq s VAL 99 CO 0.09 0.33 0.63 -0.94 0.00 0.00 0.00 175.10 175.22 3dlq s SER 100 N 1.61 6.47 0.62 3.32 1.04 0.25 -1.40 113.70 125.62 3dlq s SER 100 Ca 0.02 0.87 0.32 0.00 0.48 0.00 0.00 55.95 57.63 3dlq s SER 100 Cb -0.13 -2.21 1.76 0.00 0.10 0.00 0.00 66.02 65.55 3dlq s SER 100 CO -0.06 -0.27 2.08 0.00 0.98 0.00 0.00 173.24 175.96 3dlq h ALA 101 N 1.50 1.58 -0.00 5.32 0.00 -1.18 0.37 119.26 126.85 3dlq h ALA 101 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dlq h ALA 101 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3dlq h ALA 101 CO 0.65 -0.30 -0.02 0.41 0.00 0.00 0.00 179.25 179.99 3dlq n GLY 102 N -1.31 -1.21 0.66 0.00 0.00 -1.26 -4.90 105.19 97.18 3dlq n GLY 102 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3dlq n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dlq n GLY 103 N 1.27 0.62 3.77 -0.02 0.00 0.13 -5.06 105.19 105.90 3dlq n GLY 103 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3dlq n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlq s ARG 104 N -0.78 4.34 0.02 1.61 3.52 -1.25 -4.79 118.95 121.63 3dlq s ARG 104 Ca 0.00 2.11 -0.04 0.00 -0.13 0.00 0.00 55.73 57.67 3dlq s ARG 104 Cb 0.00 -3.03 -0.01 0.00 -1.56 0.00 0.00 34.95 30.35 3dlq s ARG 104 CO 0.00 -0.16 0.07 0.45 -0.81 0.00 0.00 175.30 174.85 3dlq s SER 105 N -0.63 0.17 -0.11 -2.12 0.15 -1.26 -0.58 113.70 109.32 3dlq s SER 105 Ca 0.50 -0.46 -0.17 0.00 0.70 0.00 0.00 55.95 56.52 3dlq s SER 105 Cb -0.38 0.19 0.04 0.00 -1.71 0.00 0.00 66.02 64.16 3dlq s SER 105 CO 0.49 -0.43 0.43 0.00 1.20 0.00 0.00 173.24 174.94 3dlq s ALA 106 N -2.07 -1.07 -0.02 5.45 0.00 -0.70 -4.95 121.76 118.40 3dlq s ALA 106 Ca -0.10 1.00 0.07 0.00 0.00 0.00 0.00 51.96 52.94 3dlq s ALA 106 Cb -0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 3dlq s ALA 106 CO -0.02 -0.24 -0.24 0.99 0.00 0.00 0.00 175.76 176.25 3dlq s THR 107 N -0.32 1.94 -0.02 0.00 2.01 -1.26 -0.06 115.64 117.93 3dlq s THR 107 Ca -0.05 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 60.90 3dlq s THR 107 Cb -0.03 -1.62 0.02 0.00 0.01 0.00 0.00 72.50 70.88 3dlq s THR 107 CO 0.02 0.55 0.05 -0.75 -0.69 0.00 0.00 174.62 173.80 3dlq s LYS 108 N -0.50 0.02 0.07 4.92 2.20 -0.38 -4.90 119.74 121.16 3dlq s LYS 108 Ca 0.07 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.83 3dlq s LYS 108 Cb -0.10 -0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 3dlq s LYS 108 CO -0.00 -0.09 0.21 1.41 -0.36 0.00 0.00 175.35 176.52 3dlq s MET 109 N 0.55 3.39 0.93 4.03 -2.45 -1.26 -1.31 119.30 123.18 3dlq s MET 109 Ca -0.04 -0.49 -0.12 0.00 -1.25 0.00 0.00 55.69 53.79 3dlq s MET 109 Cb -0.06 -3.00 0.15 0.00 1.25 0.00 0.00 34.83 33.16 3dlq s MET 109 CO -0.02 0.59 1.09 0.95 1.05 0.00 0.00 175.02 178.69 3dlq s THR 110 N -1.53 2.48 1.06 10.11 -4.23 -0.28 -4.95 115.64 118.30 3dlq s THR 110 Ca 0.34 0.16 -0.14 0.00 -1.18 0.00 0.00 61.69 60.87 3dlq s THR 110 Cb -0.13 -2.64 0.22 0.00 1.34 0.00 0.00 72.50 71.29 3dlq s THR 110 CO 0.27 -0.20 1.09 -1.81 -0.54 0.00 0.00 174.62 173.43 3dlq s ASP 111 N -3.43 2.08 0.25 3.99 1.01 -1.26 -4.77 116.67 114.53 3dlq s ASP 111 Ca 0.64 1.10 -0.30 0.00 0.71 0.00 0.00 52.55 54.70 3dlq s ASP 111 Cb -0.18 -1.71 -0.10 0.00 1.01 0.00 0.00 42.92 41.94 3dlq s ASP 111 CO 0.57 -3.46 1.45 -0.60 0.21 0.00 0.00 175.17 173.35 3dlq s ARG 112 N -4.99 4.26 -0.19 8.23 3.52 -1.26 -4.78 118.95 123.72 3dlq s ARG 112 Ca 0.67 2.32 -0.05 0.00 -0.13 0.00 0.00 55.73 58.53 3dlq s ARG 112 Cb -0.18 -3.11 -0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3dlq s ARG 112 CO 0.58 -0.44 0.01 0.12 -0.81 0.00 0.00 175.30 174.77 3dlq s PHE 113 N 0.02 3.08 -0.31 5.12 5.36 0.30 -4.96 117.98 126.58 3dlq s PHE 113 Ca 0.60 -0.33 0.02 0.00 -0.96 0.00 0.00 56.93 56.26 3dlq s PHE 113 Cb -0.42 -2.08 0.09 0.00 -0.34 0.00 0.00 43.02 40.27 3dlq s PHE 113 CO 0.43 -0.15 0.03 0.45 -1.46 0.00 0.00 175.22 174.53 3dlq s SER 114 N 0.85 4.41 0.23 6.13 0.15 -1.26 -1.80 113.70 122.40 3dlq s SER 114 Ca 0.01 -1.81 -0.08 0.00 0.70 0.00 0.00 55.95 54.78 3dlq s SER 114 Cb -0.14 -1.36 0.22 0.00 -1.71 0.00 0.00 66.02 63.03 3dlq s SER 114 CO 0.02 -0.35 1.90 0.77 1.20 0.00 0.00 173.24 176.78 3dlq h SER 115 N 7.80 0.98 -0.58 5.45 4.64 -1.91 0.25 113.55 130.19 3dlq h SER 115 Ca -0.10 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.22 3dlq h SER 115 Cb 1.03 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 3dlq h SER 115 CO 0.49 0.71 0.35 -0.07 -0.87 0.00 0.00 176.83 177.43 3dlq h LEU 116 N 1.16 0.57 0.04 5.97 3.38 -1.93 -1.15 115.31 123.35 3dlq h LEU 116 Ca 0.32 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.10 3dlq h LEU 116 Cb -0.11 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.54 3dlq h LEU 116 CO -0.08 0.40 -0.79 -0.61 0.09 0.00 0.00 178.44 177.46 3dlq h GLN 117 N 0.70 0.46 0.00 1.13 4.15 -1.79 -3.38 115.11 116.38 3dlq h GLN 117 Ca 0.23 -0.55 -0.11 0.00 0.77 0.00 0.00 58.65 58.99 3dlq h GLN 117 Cb 0.02 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3dlq h GLN 117 CO -0.10 1.20 -1.24 0.45 -1.93 0.00 0.00 178.83 177.21 3dlq h HIS 118 N -0.03 0.00 -3.46 3.99 3.86 -0.46 -3.47 115.15 115.58 3dlq h HIS 118 Ca -0.11 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.58 3dlq h HIS 118 Cb 1.51 0.00 0.03 0.00 1.06 0.00 0.00 27.41 30.00 3dlq h HIS 118 CO 0.14 0.39 0.60 -0.08 0.86 0.00 0.00 177.93 179.85 3dlq s THR 119 N -3.06 3.36 0.28 2.45 -1.32 -0.44 -4.78 115.64 112.12 3dlq s THR 119 Ca -0.02 1.14 -0.24 0.00 -1.21 0.00 0.00 61.69 61.36 3dlq s THR 119 Cb 0.09 -3.73 -0.09 0.00 -1.51 0.00 0.00 72.50 67.26 3dlq s THR 119 CO 0.80 0.18 0.86 -0.89 -2.21 0.00 0.00 174.62 173.37 3dlq s THR 120 N -0.06 4.33 -0.16 5.08 2.01 -0.57 -4.84 115.64 121.43 3dlq s THR 120 Ca 0.54 1.65 -0.16 0.00 0.31 0.00 0.00 61.69 64.04 3dlq s THR 120 Cb -0.35 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 3dlq s THR 120 CO 0.38 0.20 0.38 -0.76 -0.69 0.00 0.00 174.62 174.13 3dlq s LEU 121 N -1.94 4.23 0.54 4.42 1.43 -1.26 -0.65 118.68 125.45 3dlq s LEU 121 Ca 0.47 0.60 -0.16 0.00 -1.03 0.00 0.00 54.13 54.00 3dlq s LEU 121 Cb -0.18 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 43.46 3dlq s LEU 121 CO 0.23 0.02 1.01 -0.54 0.23 0.00 0.00 176.35 177.30 3dlq s LYS 122 N 0.77 3.72 0.35 1.70 1.02 -1.26 -4.24 119.74 121.79 3dlq s LYS 122 Ca 0.20 1.05 -0.27 0.00 0.02 0.00 0.00 55.97 56.96 3dlq s LYS 122 Cb -0.14 -2.10 -0.12 0.00 -0.52 0.00 0.00 37.83 34.95 3dlq s LYS 122 CO 0.07 -0.47 1.17 -2.30 -0.92 0.00 0.00 175.35 172.89 3dlq n PRO 123 N -1.75 1.77 -2.22 -1.68 -0.02 -1.26 -4.82 135.00 125.03 3dlq n PRO 123 Ca 0.07 0.62 -0.34 0.00 -2.02 0.00 0.00 63.50 61.84 3dlq n PRO 123 Cb 0.54 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3dlq n PRO 123 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dlq s PRO 124 N -1.85 3.37 0.07 0.52 0.04 -1.26 -4.93 135.00 130.97 3dlq s PRO 124 Ca 0.58 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 3dlq s PRO 124 Cb -0.60 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.87 3dlq s PRO 124 CO 0.60 -0.80 1.10 -0.51 0.04 0.00 0.00 177.00 177.44 3dlq s ASP 125 N -2.13 7.23 0.01 6.66 -0.00 -1.26 -4.65 116.67 122.52 3dlq s ASP 125 Ca 0.69 1.92 0.03 0.00 -0.00 0.00 0.00 52.55 55.20 3dlq s ASP 125 Cb -0.20 -2.58 -0.01 0.00 -0.00 0.00 0.00 42.92 40.12 3dlq s ASP 125 CO 0.29 -0.33 -0.11 -0.69 -0.00 0.00 0.00 175.17 174.33 3dlq s VAL 126 N 0.68 0.84 -0.32 -1.27 1.01 -1.26 -1.38 120.40 118.70 3dlq s VAL 126 Ca 0.54 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 3dlq s VAL 126 Cb -0.27 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 3dlq s VAL 126 CO 0.30 0.11 0.21 -0.89 0.00 0.00 0.00 175.10 174.84 3dlq s THR 127 N -0.49 5.18 -0.30 3.92 2.01 0.58 -4.94 115.64 121.60 3dlq s THR 127 Ca 0.02 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 3dlq s THR 127 Cb -0.05 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.85 3dlq s THR 127 CO 0.00 0.07 0.11 0.00 -0.69 0.00 0.00 174.62 174.10 3dlq s ILE 129 N 1.56 3.41 -0.02 0.00 1.01 0.89 -4.96 121.20 123.10 3dlq s ILE 129 Ca 0.04 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 59.94 3dlq s ILE 129 Cb -0.17 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.81 3dlq s ILE 129 CO 0.04 0.53 0.57 -0.44 0.00 0.00 0.00 174.94 175.65 3dlq s SER 130 N 0.07 6.93 0.50 3.58 0.01 -1.26 -0.27 113.70 123.26 3dlq s SER 130 Ca -0.03 1.11 0.01 0.00 1.31 0.00 0.00 55.95 58.35 3dlq s SER 130 Cb -0.14 -2.35 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 3dlq s SER 130 CO 0.04 0.09 0.03 -0.54 0.41 0.00 0.00 173.24 173.27 3dlq s LYS 131 N -0.11 2.16 0.19 12.44 -0.14 -0.15 -4.76 119.74 129.38 3dlq s LYS 131 Ca 0.30 -2.38 -0.08 0.00 -1.36 0.00 0.00 55.97 52.45 3dlq s LYS 131 Cb -0.18 -1.31 0.10 0.00 -1.68 0.00 0.00 37.83 34.77 3dlq s LYS 131 CO 0.16 -0.42 1.63 -0.24 -0.76 0.00 0.00 175.35 175.73 3dlq h VAL 132 N 1.41 1.27 0.00 3.17 3.04 -1.89 0.08 116.25 123.32 3dlq h VAL 132 Ca -0.42 -1.22 -0.08 0.00 -1.01 0.00 0.00 66.70 63.97 3dlq h VAL 132 Cb 1.31 0.93 -0.18 0.00 -2.01 0.00 0.00 31.29 31.35 3dlq h VAL 132 CO 0.69 0.43 -0.69 0.54 -1.01 0.00 0.00 177.57 177.53 3dlq n ARG 133 N -4.16 0.55 -3.57 4.17 1.74 -1.26 -3.63 116.66 110.51 3dlq n ARG 133 Ca 0.02 -2.22 -0.11 0.00 -0.77 0.00 0.00 57.85 54.77 3dlq n ARG 133 Cb 0.38 -0.67 -0.03 0.00 -1.02 0.00 0.00 32.46 31.13 3dlq n ARG 133 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3dlq s SER 134 N -2.24 -0.43 -0.12 0.55 1.04 -1.25 -2.05 113.70 109.20 3dlq s SER 134 Ca 0.29 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.53 3dlq s SER 134 Cb 0.30 0.60 0.01 0.00 0.10 0.00 0.00 66.02 67.03 3dlq s SER 134 CO -0.09 -1.03 -0.20 -0.63 0.98 0.00 0.00 173.24 172.27 3dlq s ILE 135 N -3.80 1.86 -0.05 -1.02 -1.09 -0.92 -0.98 121.20 115.20 3dlq s ILE 135 Ca 0.04 -0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 57.48 3dlq s ILE 135 Cb -0.01 -1.64 -0.05 0.00 -1.58 0.00 0.00 42.46 39.17 3dlq s ILE 135 CO -0.08 0.51 0.29 -1.58 -1.23 0.00 0.00 174.94 172.85 3dlq s GLN 136 N 0.73 3.73 -0.08 2.79 0.74 0.63 -1.50 119.66 126.70 3dlq s GLN 136 Ca -0.10 0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.50 3dlq s GLN 136 Cb -0.16 -3.21 0.02 0.00 1.10 0.00 0.00 33.01 30.75 3dlq s GLN 136 CO 0.01 0.72 -0.11 -1.64 -0.55 0.00 0.00 175.29 173.72 3dlq s MET 137 N -1.02 1.60 -0.22 1.67 -1.94 0.92 -0.07 119.30 120.24 3dlq s MET 137 Ca 0.20 -0.35 -0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3dlq s MET 137 Cb -0.15 -1.41 0.03 0.00 2.01 0.00 0.00 34.83 35.31 3dlq s MET 137 CO 0.09 -0.06 -0.12 0.42 -0.01 0.00 0.00 175.02 175.35 3dlq s ILE 138 N 0.95 2.52 -0.10 2.53 -1.09 0.26 -0.84 121.20 125.42 3dlq s ILE 138 Ca -0.09 -1.04 -0.23 0.00 -2.23 0.00 0.00 60.65 57.06 3dlq s ILE 138 Cb -0.15 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.48 3dlq s ILE 138 CO 0.00 0.31 0.71 -0.69 -1.23 0.00 0.00 174.94 174.04 3dlq s VAL 139 N 1.29 5.02 0.12 2.92 1.01 -0.00 -0.31 120.40 130.45 3dlq s VAL 139 Ca 0.01 1.43 -0.17 0.00 0.00 0.00 0.00 61.98 63.24 3dlq s VAL 139 Cb -0.16 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 3dlq s VAL 139 CO -0.08 0.19 0.57 -1.00 0.00 0.00 0.00 175.10 174.79 3dlq s HIS 140 N 1.19 3.71 0.57 5.22 0.09 -0.48 -4.82 115.29 120.77 3dlq s HIS 140 Ca 0.36 1.19 -0.20 0.00 -0.00 0.00 0.00 55.06 56.41 3dlq s HIS 140 Cb -0.17 -2.45 -0.04 0.00 -0.00 0.00 0.00 32.58 29.91 3dlq s HIS 140 CO 0.16 0.50 1.23 -2.30 -0.00 0.00 0.00 174.74 174.33 3dlq n PRO 141 N 1.25 1.37 -3.39 8.40 -0.02 -1.26 -4.53 135.00 136.82 3dlq n PRO 141 Ca -0.08 0.51 -0.43 0.00 -2.02 0.00 0.00 63.50 61.49 3dlq n PRO 141 Cb 0.51 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 3dlq n PRO 141 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dlq s THR 142 N -1.36 5.18 0.58 3.45 2.01 -1.26 -4.95 115.64 119.29 3dlq s THR 142 Ca 0.74 -0.59 -0.18 0.00 0.31 0.00 0.00 61.69 61.97 3dlq s THR 142 Cb -0.42 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 3dlq s THR 142 CO 0.47 -0.40 1.14 -2.84 -0.69 0.00 0.00 174.62 172.30 3dlq s PRO 143 N 1.88 3.14 0.29 4.92 0.02 -1.26 -0.80 135.00 143.20 3dlq s PRO 143 Ca 0.08 1.62 0.03 0.00 0.02 0.00 0.00 61.00 62.75 3dlq s PRO 143 Cb -0.19 -1.97 -0.06 0.00 0.02 0.00 0.00 34.50 32.30 3dlq s PRO 143 CO 0.11 -1.02 0.06 0.95 -0.33 0.00 0.00 177.00 176.76 3dlq s THR 144 N -1.84 1.00 -2.00 0.99 -4.23 -0.43 -4.81 115.64 104.32 3dlq s THR 144 Ca 0.73 -2.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.31 3dlq s THR 144 Cb -0.25 -2.68 0.22 0.00 1.34 0.00 0.00 72.50 71.13 3dlq s THR 144 CO 0.31 -0.05 1.24 -0.81 -0.54 0.00 0.00 174.62 174.77 3dlq n PRO 145 N -0.59 0.93 -2.40 3.99 -0.04 -1.26 -4.42 135.00 131.21 3dlq n PRO 145 Ca -0.02 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.02 3dlq n PRO 145 Cb 0.66 -1.13 -0.03 0.00 -0.04 0.00 0.00 33.50 32.96 3dlq n PRO 145 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3dlq s ILE 146 N -2.00 4.09 -0.19 0.52 -1.09 -1.26 -4.95 121.20 116.32 3dlq s ILE 146 Ca 0.12 1.45 -0.11 0.00 -2.23 0.00 0.00 60.65 59.88 3dlq s ILE 146 Cb 0.05 -3.93 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 3dlq s ILE 146 CO 0.09 0.02 0.16 -0.13 -1.23 0.00 0.00 174.94 173.85 3dlq s ARG 147 N 2.03 4.19 0.00 2.79 0.52 -1.26 -0.61 118.95 126.61 3dlq s ARG 147 Ca 0.58 -0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.64 3dlq s ARG 147 Cb -0.27 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 31.78 3dlq s ARG 147 CO 0.24 0.29 0.00 0.00 0.02 0.00 0.00 175.30 175.86 3dlq n ALA 148 N 3.51 0.00 -2.44 2.13 0.00 -1.26 -4.92 120.51 117.53 3dlq n ALA 148 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 3dlq n ALA 148 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3dlq n ALA 148 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dlq s ARG 153 N 0.00 4.38 0.43 0.00 1.81 -1.26 -5.28 118.95 119.03 3dlq s ARG 153 Ca 0.00 1.72 -0.22 0.00 -1.72 0.00 0.00 55.73 55.51 3dlq s ARG 153 Cb 0.00 -3.49 -0.10 0.00 -0.45 0.00 0.00 34.95 30.91 3dlq s ARG 153 CO 0.00 -0.39 1.00 -0.51 -0.68 0.00 0.00 175.30 174.72 3dlq s LEU 154 N 1.85 3.99 0.47 2.53 1.02 0.22 -4.85 118.68 123.91 3dlq s LEU 154 Ca 0.57 1.85 0.02 0.00 0.02 0.00 0.00 54.13 56.59 3dlq s LEU 154 Cb -0.26 -4.43 0.01 0.00 0.02 0.00 0.00 46.19 41.53 3dlq s LEU 154 CO 0.25 -0.49 0.68 0.42 0.02 0.00 0.00 176.35 177.22 3dlq s THR 155 N -1.96 3.50 0.26 5.49 -4.23 -1.26 -1.32 115.64 116.12 3dlq s THR 155 Ca 0.62 -0.63 -0.01 0.00 -1.18 0.00 0.00 61.69 60.48 3dlq s THR 155 Cb -0.15 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 70.65 3dlq s THR 155 CO 0.19 -0.18 1.80 -0.07 -0.54 0.00 0.00 174.62 175.81 3dlq h LEU 156 N 0.35 0.68 -1.14 4.79 3.38 -1.28 -1.43 115.31 120.65 3dlq h LEU 156 Ca -0.44 0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3dlq h LEU 156 Cb 1.27 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 3dlq h LEU 156 CO 0.54 0.34 0.59 -0.33 0.09 0.00 0.00 178.44 179.67 3dlq h GLU 157 N 0.77 1.06 -0.01 1.13 3.07 -1.84 0.23 114.58 118.98 3dlq h GLU 157 Ca 0.45 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.15 3dlq h GLU 157 Cb 0.53 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3dlq h GLU 157 CO -0.30 0.70 -0.46 -0.44 -1.40 0.00 0.00 179.01 177.11 3dlq h ASP 158 N 1.09 0.03 0.15 1.42 3.32 -1.66 -3.33 116.42 117.45 3dlq h ASP 158 Ca 0.36 -0.01 -0.28 0.00 0.02 0.00 0.00 57.03 57.12 3dlq h ASP 158 Cb 0.06 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.61 3dlq h ASP 158 CO -0.12 0.49 -1.37 0.40 -1.72 0.00 0.00 179.24 176.93 3dlq h ILE 159 N 0.03 1.13 -3.47 0.35 2.04 -0.70 -3.43 117.51 113.46 3dlq h ILE 159 Ca -0.00 -2.48 -0.70 0.00 1.00 0.00 0.00 64.86 62.67 3dlq h ILE 159 Cb 0.83 2.86 -0.33 0.00 -0.74 0.00 0.00 36.82 39.44 3dlq h ILE 159 CO 0.06 0.75 -0.52 -0.36 0.00 0.00 0.00 178.15 178.08 3dlq s PHE 160 N -2.50 3.51 0.44 1.37 0.08 -0.04 -4.96 117.98 115.88 3dlq s PHE 160 Ca -0.17 -2.18 0.29 0.00 0.12 0.00 0.00 56.93 54.99 3dlq s PHE 160 Cb 0.04 -3.16 1.56 0.00 -0.57 0.00 0.00 43.02 40.89 3dlq s PHE 160 CO 0.82 -0.95 2.11 1.25 -0.10 0.00 0.00 175.22 178.35 3dlq h HIS 161 N 8.16 0.00 -0.64 0.36 2.76 -1.84 -2.28 115.15 121.67 3dlq h HIS 161 Ca -0.16 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.80 3dlq h HIS 161 Cb 1.06 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 29.89 3dlq h HIS 161 CO 0.58 0.09 0.22 -0.40 -1.30 0.00 0.00 177.93 177.12 3dlq n ASP 162 N -3.61 4.26 -4.74 3.26 3.85 -1.26 -4.97 116.55 113.33 3dlq n ASP 162 Ca -0.02 -3.31 -0.41 0.00 -0.71 0.00 0.00 54.79 50.34 3dlq n ASP 162 Cb 0.21 -0.71 -0.04 0.00 -1.35 0.00 0.00 41.12 39.23 3dlq n ASP 162 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 3dlq s LEU 163 N -3.04 4.49 0.24 -2.12 0.20 -0.86 -4.44 118.68 113.15 3dlq s LEU 163 Ca 0.52 2.20 -0.02 0.00 0.69 0.00 0.00 54.13 57.52 3dlq s LEU 163 Cb 0.43 -3.61 -0.03 0.00 -0.43 0.00 0.00 46.19 42.55 3dlq s LEU 163 CO 0.11 -0.27 0.24 0.72 -0.29 0.00 0.00 176.35 176.86 3dlq s PHE 164 N -0.39 1.12 -0.03 5.38 -0.71 -0.70 -4.70 117.98 117.95 3dlq s PHE 164 Ca 0.50 -1.31 0.03 0.00 -1.04 0.00 0.00 56.93 55.10 3dlq s PHE 164 Cb -0.31 -0.43 -0.03 0.00 -1.21 0.00 0.00 43.02 41.04 3dlq s PHE 164 CO 0.37 -0.77 -0.08 0.71 -1.34 0.00 0.00 175.22 174.11 3dlq s TYR 165 N -3.93 2.87 -0.20 3.49 2.02 -0.16 -1.20 117.35 120.23 3dlq s TYR 165 Ca 0.36 -0.04 -0.02 0.00 -0.37 0.00 0.00 57.07 57.00 3dlq s TYR 165 Cb 0.04 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.97 3dlq s TYR 165 CO 0.15 0.33 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.77 3dlq s HIS 166 N -0.89 2.89 -0.06 2.71 5.65 -0.13 -2.34 115.29 123.11 3dlq s HIS 166 Ca 0.14 -1.21 0.06 0.00 0.25 0.00 0.00 55.06 54.30 3dlq s HIS 166 Cb -0.11 -2.03 -0.01 0.00 -1.18 0.00 0.00 32.58 29.25 3dlq s HIS 166 CO 0.04 -0.65 -0.23 -0.51 -0.65 0.00 0.00 174.74 172.74 3dlq s LEU 167 N 1.39 2.16 -0.03 8.88 1.02 -0.01 -1.19 118.68 130.91 3dlq s LEU 167 Ca 0.05 -0.47 0.03 0.00 0.02 0.00 0.00 54.13 53.76 3dlq s LEU 167 Cb -0.14 -1.40 -0.00 0.00 0.02 0.00 0.00 46.19 44.67 3dlq s LEU 167 CO -0.07 0.25 -0.12 -1.61 0.02 0.00 0.00 176.35 174.82 3dlq s GLU 168 N -0.19 1.20 -0.22 1.70 2.02 -0.05 -1.08 118.70 122.09 3dlq s GLU 168 Ca -0.03 -0.42 0.01 0.00 0.02 0.00 0.00 54.97 54.56 3dlq s GLU 168 Cb -0.14 -1.10 0.03 0.00 0.10 0.00 0.00 34.13 33.03 3dlq s GLU 168 CO 0.03 0.18 -0.15 -1.17 0.02 0.00 0.00 175.26 174.17 3dlq s LEU 169 N 0.06 2.72 -0.54 1.80 2.96 0.00 -0.88 118.68 124.81 3dlq s LEU 169 Ca -0.02 -0.93 -0.28 0.00 -0.22 0.00 0.00 54.13 52.68 3dlq s LEU 169 Cb -0.09 -1.53 0.03 0.00 0.50 0.00 0.00 46.19 45.10 3dlq s LEU 169 CO 0.01 -0.08 1.19 -1.58 -1.32 0.00 0.00 176.35 174.57 3dlq s GLN 170 N 1.23 3.58 0.00 1.98 2.00 0.14 -1.06 119.66 127.53 3dlq s GLN 170 Ca -0.00 0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.75 3dlq s GLN 170 Cb -0.16 -3.98 0.00 0.00 0.80 0.00 0.00 33.01 29.67 3dlq s GLN 170 CO -0.09 -1.59 0.00 1.55 -0.50 0.00 0.00 175.29 174.66 3dlq n VAL 171 N 6.76 0.00 -4.04 1.34 3.14 -1.26 -3.76 118.33 120.51 3dlq n VAL 171 Ca 0.10 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 61.13 3dlq n VAL 171 Cb 0.49 -0.07 -0.14 0.00 -1.06 0.00 0.00 33.84 33.06 3dlq n VAL 171 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3dlq s GLN 176 N -0.96 3.41 -0.01 1.45 -0.21 -1.26 -5.18 119.66 116.91 3dlq s GLN 176 Ca 0.00 -0.62 -0.07 0.00 0.02 0.00 0.00 55.36 54.69 3dlq s GLN 176 Cb 0.00 -2.96 -0.05 0.00 1.00 0.00 0.00 33.01 31.00 3dlq s GLN 176 CO 0.00 -0.11 0.26 -1.64 -2.12 0.00 0.00 175.29 171.68 3dlq s MET 177 N 1.26 3.59 -0.01 2.91 -1.94 -0.22 -4.94 119.30 119.95 3dlq s MET 177 Ca 0.03 -0.04 0.03 0.00 -1.71 0.00 0.00 55.69 54.00 3dlq s MET 177 Cb -0.14 -3.10 -0.01 0.00 2.01 0.00 0.00 34.83 33.59 3dlq s MET 177 CO -0.02 0.67 -0.10 -3.38 -0.01 0.00 0.00 175.02 172.18 3dlq s HIS 178 N -1.25 0.92 0.12 -0.03 -0.00 -1.26 -0.82 115.29 112.98 3dlq s HIS 178 Ca 0.26 -0.17 0.01 0.00 -0.00 0.00 0.00 55.06 55.15 3dlq s HIS 178 Cb -0.13 -0.59 -0.04 0.00 -0.00 0.00 0.00 32.58 31.81 3dlq s HIS 178 CO 0.14 -0.02 -0.02 -0.51 -0.00 0.00 0.00 174.74 174.34 3dlq s LEU 179 N -0.24 2.26 -0.05 5.38 1.43 -0.24 -5.02 118.68 122.20 3dlq s LEU 179 Ca 0.04 -1.09 -0.31 0.00 -1.03 0.00 0.00 54.13 51.74 3dlq s LEU 179 Cb -0.04 0.03 0.11 0.00 0.03 0.00 0.00 46.19 46.32 3dlq s LEU 179 CO -0.00 -0.56 1.07 -0.83 0.23 0.00 0.00 176.35 176.25 3dlq s GLY 180 N -3.07 -0.36 0.00 -3.19 0.00 -1.26 -0.83 107.32 98.60 3dlq s GLY 180 Ca 0.17 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.93 3dlq s GLY 180 CO -0.02 0.32 0.00 0.61 0.00 0.00 0.00 173.10 174.02 3dlq n GLY 181 N -0.26 -1.10 0.09 0.20 0.00 -0.99 -4.95 105.19 98.18 3dlq n GLY 181 Ca -0.05 -1.51 0.11 0.00 0.00 0.00 0.00 46.02 44.58 3dlq n GLY 181 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dlq n LYS 182 N -0.70 0.59 -0.80 1.61 4.76 -1.26 -0.99 118.16 121.37 3dlq n LYS 182 Ca 0.00 0.06 -0.30 0.00 -2.87 0.00 0.00 58.31 55.20 3dlq n LYS 182 Cb 0.00 -1.76 0.17 0.00 -1.84 0.00 0.00 35.03 31.61 3dlq n LYS 182 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3dlq s GLN 183 N -3.38 0.79 -0.06 1.97 1.11 -1.26 -4.92 119.66 113.92 3dlq s GLN 183 Ca -0.01 1.26 -0.02 0.00 0.01 0.00 0.00 55.36 56.60 3dlq s GLN 183 Cb 0.11 -1.72 -0.26 0.00 -1.01 0.00 0.00 33.01 30.12 3dlq s GLN 183 CO 0.81 -2.69 0.61 -0.09 0.01 0.00 0.00 175.29 173.94 3dlq h ARG 184 N -1.90 0.22 -6.61 2.91 2.43 -1.92 -3.47 114.38 106.03 3dlq h ARG 184 Ca -0.48 -0.37 -0.70 0.00 -0.81 0.00 0.00 59.98 57.62 3dlq h ARG 184 Cb 1.28 0.14 -0.29 0.00 -0.42 0.00 0.00 29.97 30.67 3dlq h ARG 184 CO 0.46 1.04 -0.88 -1.83 -1.51 0.00 0.00 179.97 177.25 3dlq s GLU 185 N -2.59 2.09 0.01 0.20 -1.05 -1.26 -0.82 118.70 115.29 3dlq s GLU 185 Ca -0.14 -0.94 0.01 0.00 -0.15 0.00 0.00 54.97 53.75 3dlq s GLU 185 Cb 0.07 -2.05 -0.01 0.00 -0.44 0.00 0.00 34.13 31.70 3dlq s GLU 185 CO 0.81 0.56 -0.05 0.71 0.95 0.00 0.00 175.26 178.24 3dlq s TYR 186 N -0.63 0.42 -0.08 4.83 2.02 -0.02 -5.00 117.35 118.88 3dlq s TYR 186 Ca 0.10 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3dlq s TYR 186 Cb -0.10 -0.26 0.02 0.00 -0.40 0.00 0.00 41.96 41.22 3dlq s TYR 186 CO -0.01 -0.06 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.85 3dlq s GLU 187 N -0.76 1.28 -0.32 -0.62 2.12 -1.26 -0.05 118.70 119.09 3dlq s GLU 187 Ca -0.05 -0.20 -0.20 0.00 0.36 0.00 0.00 54.97 54.88 3dlq s GLU 187 Cb -0.05 -1.29 -0.01 0.00 0.26 0.00 0.00 34.13 33.04 3dlq s GLU 187 CO -0.00 -0.17 0.63 -0.06 -0.54 0.00 0.00 175.26 175.12 3dlq s PHE 188 N 1.34 3.20 0.45 5.30 0.40 -0.56 -4.96 117.98 123.14 3dlq s PHE 188 Ca -0.03 0.52 0.08 0.00 -0.60 0.00 0.00 56.93 56.90 3dlq s PHE 188 Cb -0.14 -3.03 0.02 0.00 0.51 0.00 0.00 43.02 40.38 3dlq s PHE 188 CO -0.03 -0.52 0.58 -0.06 0.70 0.00 0.00 175.22 175.89 3dlq s PHE 189 N 2.64 2.53 -0.00 0.36 0.08 -1.26 -2.15 117.98 120.17 3dlq s PHE 189 Ca 0.25 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.82 3dlq s PHE 189 Cb -0.15 -2.32 0.00 0.00 -0.57 0.00 0.00 43.02 39.98 3dlq s PHE 189 CO 0.13 -0.51 0.00 0.41 -0.10 0.00 0.00 175.22 175.14 3dlq n GLY 190 N -1.88 0.37 3.88 4.36 0.00 -1.10 -4.97 105.19 105.86 3dlq n GLY 190 Ca 0.09 -0.98 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 3dlq n GLY 190 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dlq s LEU 191 N -0.01 4.28 0.24 0.99 1.43 -0.87 -5.06 118.68 119.69 3dlq s LEU 191 Ca 0.00 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 3dlq s LEU 191 Cb 0.00 -3.23 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 3dlq s LEU 191 CO 0.00 0.08 1.24 -0.89 0.23 0.00 0.00 176.35 177.01 3dlq s THR 192 N -1.58 3.25 0.84 5.49 2.01 -1.26 -4.50 115.64 119.88 3dlq s THR 192 Ca 0.39 1.12 -0.11 0.00 0.31 0.00 0.00 61.69 63.40 3dlq s THR 192 Cb -0.13 -3.71 0.10 0.00 0.01 0.00 0.00 72.50 68.77 3dlq s THR 192 CO 0.22 0.21 1.11 -2.84 -0.69 0.00 0.00 174.62 172.63 3dlq s PRO 193 N -0.77 1.71 -1.54 4.92 0.02 -1.24 -3.91 135.00 134.18 3dlq s PRO 193 Ca 0.52 1.24 -0.14 0.00 0.02 0.00 0.00 61.00 62.63 3dlq s PRO 193 Cb -0.35 -1.83 0.09 0.00 0.02 0.00 0.00 34.50 32.43 3dlq s PRO 193 CO 0.42 -2.05 0.97 -3.47 -0.33 0.00 0.00 177.00 172.54 3dlq n ASP 194 N -3.81 -4.70 -4.07 2.53 -0.08 -0.66 -4.90 116.55 100.87 3dlq n ASP 194 Ca 0.09 -0.79 -0.18 0.00 -1.51 0.00 0.00 54.79 52.40 3dlq n ASP 194 Cb 0.53 -3.84 -0.14 0.00 2.34 0.00 0.00 41.12 40.01 3dlq n ASP 194 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3dlq s THR 195 N -3.31 0.81 -0.03 5.18 2.01 -1.25 -4.89 115.64 114.17 3dlq s THR 195 Ca 0.66 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.80 3dlq s THR 195 Cb -0.33 -0.73 -0.05 0.00 0.01 0.00 0.00 72.50 71.40 3dlq s THR 195 CO 0.83 0.05 0.48 -0.70 -0.69 0.00 0.00 174.62 174.60 3dlq s GLU 196 N -0.71 4.17 0.19 4.92 2.12 -1.26 -1.01 118.70 127.11 3dlq s GLU 196 Ca 0.01 0.52 0.04 0.00 0.36 0.00 0.00 54.97 55.90 3dlq s GLU 196 Cb -0.06 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 3dlq s GLU 196 CO 0.00 0.46 -0.07 -0.06 -0.54 0.00 0.00 175.26 175.05 3dlq s PHE 197 N -0.38 1.43 -0.16 5.30 0.08 0.73 -4.99 117.98 120.00 3dlq s PHE 197 Ca 0.26 -0.80 0.01 0.00 0.12 0.00 0.00 56.93 56.53 3dlq s PHE 197 Cb -0.17 -0.76 0.02 0.00 -0.57 0.00 0.00 43.02 41.54 3dlq s PHE 197 CO 0.14 0.07 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.97 3dlq s LEU 198 N -3.24 1.96 -0.05 -0.37 2.96 -1.25 -1.78 118.68 116.91 3dlq s LEU 198 Ca 0.22 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.53 3dlq s LEU 198 Cb 0.03 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.34 3dlq s LEU 198 CO 0.04 0.00 0.07 -0.83 -1.32 0.00 0.00 176.35 174.32 3dlq s GLY 199 N 1.22 2.00 -0.03 7.98 0.00 0.60 -0.69 107.32 118.40 3dlq s GLY 199 Ca 0.01 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.97 3dlq s GLY 199 CO -0.09 -0.61 -0.12 -0.51 0.00 0.00 0.00 173.10 171.77 3dlq s THR 200 N -1.07 1.05 -0.07 0.90 -4.23 -0.06 -0.84 115.64 111.33 3dlq s THR 200 Ca 0.18 -0.51 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 3dlq s THR 200 Cb -0.12 -0.92 0.02 0.00 1.34 0.00 0.00 72.50 72.82 3dlq s THR 200 CO 0.08 0.31 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.77 3dlq s ILE 201 N 0.10 0.83 0.11 2.99 1.09 0.06 -0.87 121.20 125.50 3dlq s ILE 201 Ca -0.03 -0.26 0.05 0.00 -1.10 0.00 0.00 60.65 59.31 3dlq s ILE 201 Cb -0.09 -0.82 -0.04 0.00 -1.06 0.00 0.00 42.46 40.45 3dlq s ILE 201 CO 0.01 0.30 -0.12 0.00 -0.10 0.00 0.00 174.94 175.03 3dlq s MET 202 N 1.06 0.92 -0.05 2.79 0.23 -0.33 -0.52 119.30 123.40 3dlq s MET 202 Ca -0.08 -1.19 -0.13 0.00 -1.03 0.00 0.00 55.69 53.26 3dlq s MET 202 Cb -0.14 -0.71 -0.05 0.00 -1.53 0.00 0.00 34.83 32.40 3dlq s MET 202 CO -0.01 0.13 0.33 0.42 -2.03 0.00 0.00 175.02 173.87 3dlq s ILE 203 N -2.26 5.18 -0.01 3.16 1.01 -1.26 -0.96 121.20 126.06 3dlq s ILE 203 Ca 0.07 0.66 0.06 0.00 0.00 0.00 0.00 60.65 61.44 3dlq s ILE 203 Cb -0.04 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 3dlq s ILE 203 CO 0.01 0.55 -0.18 -0.76 0.00 0.00 0.00 174.94 174.57 3dlq s LEU 204 N -0.80 2.03 -0.52 2.97 1.43 -0.34 -1.17 118.68 122.29 3dlq s LEU 204 Ca 0.21 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3dlq s LEU 204 Cb -0.15 -0.94 0.16 0.00 0.03 0.00 0.00 46.19 45.29 3dlq s LEU 204 CO 0.10 0.22 0.35 -0.69 0.23 0.00 0.00 176.35 176.56 3dlq s VAL 205 N -0.42 1.57 0.35 -1.59 1.01 -0.02 -1.72 120.40 119.58 3dlq s VAL 205 Ca 0.07 -3.14 0.08 0.00 0.00 0.00 0.00 61.98 58.98 3dlq s VAL 205 Cb -0.07 -2.07 0.32 0.00 0.00 0.00 0.00 36.38 34.56 3dlq s VAL 205 CO -0.01 -1.03 1.86 -0.65 0.00 0.00 0.00 175.10 175.27 3dlq h PRO 206 N 5.97 0.70 0.00 2.72 0.11 -1.77 -1.36 132.00 138.37 3dlq h PRO 206 Ca 0.12 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3dlq h PRO 206 Cb 0.87 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3dlq h PRO 206 CO 0.53 0.47 -0.22 1.15 -0.21 0.00 0.00 178.00 179.71 3dlq h THR 207 N 0.73 1.10 -0.58 -1.15 2.02 -1.94 -1.50 112.91 111.59 3dlq h THR 207 Ca 0.46 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.86 3dlq h THR 207 Cb 0.71 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.55 3dlq h THR 207 CO -0.22 0.22 0.00 0.79 0.37 0.00 0.00 175.52 176.68 3dlq n TRP 208 N -4.18 1.05 -3.81 3.16 7.02 -0.57 -4.94 117.44 115.16 3dlq n TRP 208 Ca -0.02 -0.57 -0.30 0.00 -1.02 0.00 0.00 57.50 55.59 3dlq n TRP 208 Cb 0.28 -0.12 -0.01 0.00 -2.42 0.00 0.00 31.31 29.05 3dlq n TRP 208 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3dlq n ALA 209 N 1.04 -1.17 -2.81 6.99 0.00 -0.56 -4.94 120.51 119.05 3dlq n ALA 209 Ca 0.22 0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 3dlq n ALA 209 Cb 0.70 -3.37 -0.07 0.00 0.00 0.00 0.00 19.45 16.71 3dlq n ALA 209 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3dlq s LYS 210 N -6.50 3.20 -0.12 0.00 1.02 -0.88 -5.00 119.74 111.47 3dlq s LYS 210 Ca 0.59 -0.36 -0.12 0.00 0.02 0.00 0.00 55.97 56.10 3dlq s LYS 210 Cb -0.32 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.06 3dlq s LYS 210 CO 0.73 0.69 0.33 -2.00 -0.92 0.00 0.00 175.35 174.18 3dlq s GLU 211 N -1.46 0.41 0.47 1.68 2.12 -1.26 -0.84 118.70 119.83 3dlq s GLU 211 Ca 0.20 0.41 -0.04 0.00 0.36 0.00 0.00 54.97 55.90 3dlq s GLU 211 Cb -0.12 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.44 3dlq s GLU 211 CO 0.10 -0.06 0.75 -1.54 -0.54 0.00 0.00 175.26 173.98 3dlq s SER 212 N 0.05 6.19 0.80 -1.70 1.04 -0.31 -4.63 113.70 115.13 3dlq s SER 212 Ca -0.01 0.80 -0.11 0.00 0.48 0.00 0.00 55.95 57.11 3dlq s SER 212 Cb -0.03 -2.13 0.08 0.00 0.10 0.00 0.00 66.02 64.04 3dlq s SER 212 CO 0.01 -0.58 1.11 0.00 0.98 0.00 0.00 173.24 174.76 3dlq s ALA 213 N -2.69 2.06 0.39 5.32 0.00 -1.26 -4.57 121.76 121.01 3dlq s ALA 213 Ca 0.47 0.40 -0.18 0.00 0.00 0.00 0.00 51.96 52.64 3dlq s ALA 213 Cb -0.10 -3.33 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 3dlq s ALA 213 CO 0.43 -2.00 0.86 -1.25 0.00 0.00 0.00 175.76 173.80 3dlq s PRO 214 N -4.74 4.11 0.06 0.00 0.05 -1.26 -4.02 135.00 129.19 3dlq s PRO 214 Ca 0.63 0.91 -0.21 0.00 0.05 0.00 0.00 61.00 62.39 3dlq s PRO 214 Cb -0.19 -2.28 -0.06 0.00 0.05 0.00 0.00 34.50 32.01 3dlq s PRO 214 CO 0.55 0.03 0.61 -0.47 0.05 0.00 0.00 177.00 177.77 3dlq s TYR 215 N -2.13 3.78 0.03 0.56 6.14 0.32 -4.88 117.35 121.16 3dlq s TYR 215 Ca 0.58 1.30 0.07 0.00 0.64 0.00 0.00 57.07 59.67 3dlq s TYR 215 Cb -0.10 -2.58 -0.02 0.00 0.42 0.00 0.00 41.96 39.68 3dlq s TYR 215 CO 0.16 0.49 -0.21 -1.64 0.64 0.00 0.00 175.55 174.99 3dlq s MET 216 N -0.76 1.52 -0.05 4.97 -1.94 -1.26 -0.76 119.30 121.02 3dlq s MET 216 Ca 0.31 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 3dlq s MET 216 Cb -0.20 -1.60 0.02 0.00 2.01 0.00 0.00 34.83 35.07 3dlq s MET 216 CO 0.19 0.42 -0.06 0.00 -0.01 0.00 0.00 175.02 175.57 3dlq s ARG 218 N 0.90 3.30 0.15 0.00 3.52 -1.26 -0.29 118.95 125.27 3dlq s ARG 218 Ca -0.11 -0.76 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 3dlq s ARG 218 Cb -0.14 -3.66 -0.04 0.00 -1.56 0.00 0.00 34.95 29.54 3dlq s ARG 218 CO 0.00 -0.47 0.04 0.14 -0.81 0.00 0.00 175.30 174.21 3dlq s VAL 219 N 1.63 0.32 -0.03 7.11 -7.23 -0.73 -4.97 120.40 116.50 3dlq s VAL 219 Ca 0.05 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.34 3dlq s VAL 219 Cb -0.17 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 3dlq s VAL 219 CO 0.07 -0.43 -0.24 -0.54 -0.31 0.00 0.00 175.10 173.66 3dlq s LYS 220 N -4.00 2.04 0.66 4.82 1.02 -1.26 -0.19 119.74 122.83 3dlq s LYS 220 Ca 0.25 -0.84 -0.16 0.00 0.02 0.00 0.00 55.97 55.24 3dlq s LYS 220 Cb 0.07 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.48 3dlq s LYS 220 CO 0.03 0.47 1.18 0.95 -0.92 0.00 0.00 175.35 177.06 3dlq s THR 221 N -0.44 2.70 0.69 2.17 -4.23 -0.18 -4.72 115.64 111.64 3dlq s THR 221 Ca 0.06 0.37 -0.13 0.00 -1.18 0.00 0.00 61.69 60.81 3dlq s THR 221 Cb -0.10 -2.97 0.01 0.00 1.34 0.00 0.00 72.50 70.78 3dlq s THR 221 CO 0.00 -0.16 1.08 -0.76 -0.54 0.00 0.00 174.62 174.24 3dlq s LEU 222 N -4.71 3.24 0.68 4.79 1.43 0.01 -2.78 118.68 121.34 3dlq s LEU 222 Ca 0.73 1.83 -0.15 0.00 -1.03 0.00 0.00 54.13 55.50 3dlq s LEU 222 Cb -0.27 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.44 3dlq s LEU 222 CO 0.40 -1.64 1.15 -2.84 0.23 0.00 0.00 176.35 173.65 3dlq s PRO 223 N -4.56 2.55 -0.44 1.29 0.02 -1.26 -1.65 135.00 130.95 3dlq s PRO 223 Ca 0.63 1.57 -0.11 0.00 0.02 0.00 0.00 61.00 63.10 3dlq s PRO 223 Cb -0.17 -1.90 0.08 0.00 0.02 0.00 0.00 34.50 32.53 3dlq s PRO 223 CO 0.48 -1.48 0.32 0.34 -0.33 0.00 0.00 177.00 176.33 3dlq s ASP 224 N -2.28 5.81 0.00 2.53 -1.08 -1.26 -4.83 116.67 115.56 3dlq s ASP 224 Ca 0.71 -1.51 0.09 0.00 -0.52 0.00 0.00 52.55 51.32 3dlq s ASP 224 Cb -0.24 -2.05 0.39 0.00 -1.46 0.00 0.00 42.92 39.55 3dlq s ASP 224 CO 0.42 -0.60 1.27 0.54 0.52 0.00 0.00 175.17 177.32 3dlq n ARG 225 N 5.01 1.29 -1.62 4.34 5.12 -1.26 -4.93 116.66 124.61 3dlq n ARG 225 Ca -0.11 -0.44 -0.49 0.00 -1.93 0.00 0.00 57.85 54.89 3dlq n ARG 225 Cb 0.43 -1.17 -0.05 0.00 -1.16 0.00 0.00 32.46 30.51 3dlq n ARG 225 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3dlq n THR 226 N -0.21 0.29 -4.41 0.55 5.66 -1.26 -4.95 114.28 109.94 3dlq n THR 226 Ca 0.08 -0.07 -0.34 0.00 -3.05 0.00 0.00 64.05 60.67 3dlq n THR 226 Cb 0.12 -1.10 -0.14 0.00 -1.55 0.00 0.00 70.33 67.66 3dlq n THR 226 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3dlq s TRP 227 N 0.40 2.86 0.00 1.09 -0.11 -1.26 -5.30 118.94 116.61 3dlq s TRP 227 Ca 0.79 -0.84 0.00 0.00 1.22 0.00 0.00 56.10 57.26 3dlq s TRP 227 Cb -0.82 -1.94 0.00 0.00 -1.50 0.00 0.00 33.47 29.21 3dlq s TRP 227 CO 0.46 -0.38 0.00 2.41 -4.62 0.00 0.00 176.95 174.81