#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocu s TYR 29 N 0.00 2.41 -0.10 9.51 5.04 -1.26 -5.12 117.35 127.83 1ocu s TYR 29 Ca 0.00 -1.20 -0.16 0.00 -2.44 0.00 0.00 57.07 53.28 1ocu s TYR 29 Cb 0.00 -1.67 -0.05 0.00 0.35 0.00 0.00 41.96 40.59 1ocu s TYR 29 CO 0.00 -0.57 0.40 0.00 -1.34 0.00 0.00 175.55 174.04 1ocu s ALA 30 N 0.90 3.57 -0.03 3.97 0.00 -1.26 -5.03 121.76 123.88 1ocu s ALA 30 Ca -0.06 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 1ocu s ALA 30 Cb -0.15 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 20.41 1ocu s ALA 30 CO -0.02 0.16 1.71 -1.21 0.00 0.00 0.00 175.76 176.40 1ocu s GLU 31 N 0.12 4.18 0.54 0.00 8.01 -1.26 -4.87 118.70 125.41 1ocu s GLU 31 Ca 0.22 2.27 0.22 0.00 0.01 0.00 0.00 54.97 57.69 1ocu s GLU 31 Cb -0.15 -3.99 1.43 0.00 -4.31 0.00 0.00 34.13 27.11 1ocu s GLU 31 CO 0.09 -0.86 2.13 -1.35 0.01 0.00 0.00 175.26 175.28 1ocu h PRO 32 N 9.65 0.00 -5.84 0.39 0.11 -2.05 -3.42 132.00 130.84 1ocu h PRO 32 Ca -0.41 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.06 1ocu h PRO 32 Cb 1.19 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1ocu h PRO 32 CO 0.95 0.00 -0.49 -1.21 -0.21 0.00 0.00 178.00 177.04 1ocu s GLU 33 N -4.93 3.45 0.47 1.05 2.02 -1.26 -5.08 118.70 114.41 1ocu s GLU 33 Ca -0.05 -0.34 -0.22 0.00 0.02 0.00 0.00 54.97 54.38 1ocu s GLU 33 Cb 0.17 -3.08 -0.07 0.00 0.10 0.00 0.00 34.13 31.25 1ocu s GLU 33 CO 0.65 0.65 1.13 -0.80 0.02 0.00 0.00 175.26 176.91 1ocu s ASN 34 N -2.08 6.20 0.12 -0.19 0.02 -1.26 -5.01 114.94 112.73 1ocu s ASN 34 Ca 0.29 2.20 -0.20 0.00 -1.02 0.00 0.00 52.86 54.13 1ocu s ASN 34 Cb -0.13 -2.59 0.05 0.00 0.02 0.00 0.00 41.25 38.60 1ocu s ASN 34 CO 0.21 -0.89 0.50 0.72 0.02 0.00 0.00 177.10 177.66 1ocu s PHE 35 N -1.65 -0.38 -0.25 2.20 -0.12 -1.26 -5.05 117.98 111.46 1ocu s PHE 35 Ca 0.65 0.20 -0.06 0.00 -0.05 0.00 0.00 56.93 57.66 1ocu s PHE 35 Cb -0.25 0.39 0.13 0.00 -0.63 0.00 0.00 43.02 42.65 1ocu s PHE 35 CO 0.30 -0.74 0.51 -1.17 -0.05 0.00 0.00 175.22 174.08 1ocu s LEU 36 N -2.58 -0.92 -0.13 -1.99 0.20 -1.26 -2.94 118.68 109.06 1ocu s LEU 36 Ca 0.00 1.05 -0.01 0.00 0.69 0.00 0.00 54.13 55.86 1ocu s LEU 36 Cb 0.00 1.75 -0.02 0.00 -0.43 0.00 0.00 46.19 47.49 1ocu s LEU 36 CO -0.10 -0.24 -0.09 -1.61 -0.29 0.00 0.00 176.35 174.02 1ocu s GLU 37 N 2.73 3.44 -0.04 1.98 2.02 -0.02 -4.97 118.70 123.85 1ocu s GLU 37 Ca 0.03 -0.60 -0.05 0.00 0.02 0.00 0.00 54.97 54.36 1ocu s GLU 37 Cb -0.13 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.37 1ocu s GLU 37 CO -0.16 0.28 0.14 -1.50 0.02 0.00 0.00 175.26 174.03 1ocu s ILE 38 N 0.23 0.02 0.01 -1.63 2.07 -1.26 -1.13 121.20 119.50 1ocu s ILE 38 Ca -0.06 -0.15 -0.09 0.00 -1.41 0.00 0.00 60.65 58.95 1ocu s ILE 38 Cb -0.15 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.20 1ocu s ILE 38 CO 0.04 -0.08 0.18 -0.70 -1.91 0.00 0.00 174.94 172.46 1ocu s GLU 39 N -0.23 0.55 -0.18 3.50 2.12 -0.61 -4.71 118.70 119.14 1ocu s GLU 39 Ca -0.03 -0.40 0.01 0.00 0.36 0.00 0.00 54.97 54.91 1ocu s GLU 39 Cb -0.02 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.62 1ocu s GLU 39 CO 0.00 -0.14 -0.20 0.08 -0.54 0.00 0.00 175.26 174.47 1ocu s VAL 40 N -1.55 2.09 0.00 3.70 1.01 -1.26 -1.45 120.40 122.95 1ocu s VAL 40 Ca -0.13 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1ocu s VAL 40 Cb -0.06 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.44 1ocu s VAL 40 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 175.10 175.65 1ocu n HIS 41 N 4.62 -0.35 -3.72 5.22 -0.00 -0.42 -4.56 115.22 116.02 1ocu n HIS 41 Ca -0.21 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.24 1ocu n HIS 41 Cb 0.50 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.52 1ocu n HIS 41 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1ocu n ASN 42 N -0.44 -3.25 -4.76 4.39 4.05 -1.26 -0.91 115.26 113.08 1ocu n ASN 42 Ca 0.00 -0.95 -0.37 0.00 0.45 0.00 0.00 54.58 53.71 1ocu n ASN 42 Cb 0.00 -3.57 0.01 0.00 1.23 0.00 0.00 39.78 37.45 1ocu n ASN 42 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1ocu s PRO 43 N -6.02 3.44 -0.07 1.20 0.04 -1.26 -4.08 135.00 128.25 1ocu s PRO 43 Ca 0.25 1.90 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 1ocu s PRO 43 Cb -0.08 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 32.22 1ocu s PRO 43 CO 0.85 -0.85 0.18 0.15 0.04 0.00 0.00 177.00 177.38 1ocu s LYS 44 N -2.89 0.19 -0.15 4.56 1.02 -0.78 -5.01 119.74 116.68 1ocu s LYS 44 Ca 0.69 0.31 -0.05 0.00 0.02 0.00 0.00 55.97 56.93 1ocu s LYS 44 Cb -0.32 0.03 -0.04 0.00 -0.52 0.00 0.00 37.83 36.99 1ocu s LYS 44 CO 0.37 -0.07 0.03 0.99 -0.92 0.00 0.00 175.35 175.76 1ocu s THR 45 N 0.42 4.51 0.20 2.17 2.01 -1.26 -1.59 115.64 122.11 1ocu s THR 45 Ca -0.03 -0.15 0.11 0.00 0.31 0.00 0.00 61.69 61.94 1ocu s THR 45 Cb -0.04 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1ocu s THR 45 CO -0.02 0.52 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.21 1ocu s HIS 46 N -0.08 2.33 -0.55 4.92 0.09 0.24 -4.98 115.29 117.26 1ocu s HIS 46 Ca 0.05 -0.34 -0.00 0.00 -0.00 0.00 0.00 55.06 54.76 1ocu s HIS 46 Cb -0.12 -1.13 0.14 0.00 -0.00 0.00 0.00 32.58 31.46 1ocu s HIS 46 CO 0.02 0.53 0.34 0.42 -0.00 0.00 0.00 174.74 176.04 1ocu s ILE 47 N -1.78 3.25 0.05 0.60 -1.09 -1.26 -2.53 121.20 118.45 1ocu s ILE 47 Ca 0.22 -2.92 -0.10 0.00 -2.23 0.00 0.00 60.65 55.62 1ocu s ILE 47 Cb -0.08 -3.18 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 1ocu s ILE 47 CO 0.11 -0.82 0.87 -2.65 -1.23 0.00 0.00 174.94 171.23 1ocu n PRO 48 N 3.55 -0.15 0.00 2.79 -0.02 -1.26 0.15 135.00 140.06 1ocu n PRO 48 Ca 0.06 0.86 0.15 0.00 -2.02 0.00 0.00 63.50 62.55 1ocu n PRO 48 Cb 0.37 -1.28 0.80 0.00 -0.02 0.00 0.00 33.50 33.36 1ocu n PRO 48 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ocu n ASN 49 N -3.74 0.25 0.00 2.55 0.23 -1.26 -4.90 115.26 108.39 1ocu n ASN 49 Ca 0.01 -0.79 0.00 0.00 -0.53 0.00 0.00 54.58 53.27 1ocu n ASN 49 Cb 0.09 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1ocu n ASN 49 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ocu n GLY 50 N 1.13 0.41 0.70 4.83 0.00 0.12 -4.80 105.19 107.58 1ocu n GLY 50 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 1ocu n GLY 50 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ocu n MET 51 N -1.61 0.10 -4.32 1.61 2.81 -1.26 -5.05 117.12 109.39 1ocu n MET 51 Ca 0.00 0.04 -0.17 0.00 -1.81 0.00 0.00 57.70 55.76 1ocu n MET 51 Cb 0.10 -0.75 -0.10 0.00 -0.71 0.00 0.00 33.22 31.76 1ocu n MET 51 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1ocu s ASP 52 N -5.23 1.84 0.00 7.83 -4.77 -1.26 -5.04 116.67 110.04 1ocu s ASP 52 Ca -0.06 -1.19 0.07 0.00 -3.30 0.00 0.00 52.55 48.06 1ocu s ASP 52 Cb 0.02 0.00 0.43 0.00 -1.09 0.00 0.00 42.92 42.29 1ocu s ASP 52 CO 0.09 -0.49 0.87 -1.54 0.70 0.00 0.00 175.17 174.80 1ocu n SER 53 N -0.39 0.00 -4.68 2.11 3.41 -1.26 -4.68 113.62 108.12 1ocu n SER 53 Ca -0.06 -0.26 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 1ocu n SER 53 Cb 0.63 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1ocu n SER 53 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ocu s LYS 54 N -2.00 4.15 0.00 4.33 2.20 -1.26 -1.33 119.74 125.83 1ocu s LYS 54 Ca 0.11 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 1ocu s LYS 54 Cb 0.05 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 1ocu s LYS 54 CO 0.08 -0.86 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 1ocu n GLY 55 N 4.29 0.60 3.62 5.54 0.00 -1.26 -4.50 105.19 113.48 1ocu n GLY 55 Ca 0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 1ocu n GLY 55 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ocu n MET 56 N -2.60 1.53 -3.57 1.61 1.56 -0.44 -4.63 117.12 110.58 1ocu n MET 56 Ca 0.00 0.55 -0.11 0.00 -0.27 0.00 0.00 57.70 57.87 1ocu n MET 56 Cb 0.02 -2.13 -0.03 0.00 2.15 0.00 0.00 33.22 33.23 1ocu n MET 56 CO 0.00 0.00 0.00 -0.59 -0.73 0.00 0.00 175.97 174.65 1ocu s PHE 57 N -0.03 -0.32 -0.07 1.12 -0.12 -1.05 -5.00 117.98 112.52 1ocu s PHE 57 Ca 0.73 0.04 0.02 0.00 -0.05 0.00 0.00 56.93 57.66 1ocu s PHE 57 Cb -0.78 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.00 1ocu s PHE 57 CO 0.50 -0.82 -0.11 0.99 -0.05 0.00 0.00 175.22 175.74 1ocu s THR 58 N -3.80 3.34 0.20 -4.49 2.01 -1.26 -0.59 115.64 111.05 1ocu s THR 58 Ca 0.04 -0.61 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1ocu s THR 58 Cb -0.00 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1ocu s THR 58 CO -0.10 0.58 -0.05 1.51 -0.69 0.00 0.00 174.62 175.87 1ocu s ASP 59 N -0.63 1.90 0.14 3.53 3.84 -0.62 -4.32 116.67 120.51 1ocu s ASP 59 Ca 0.09 -1.13 0.07 0.00 -0.00 0.00 0.00 52.55 51.59 1ocu s ASP 59 Cb -0.11 -0.01 -0.04 0.00 -1.38 0.00 0.00 42.92 41.37 1ocu s ASP 59 CO 0.01 -0.42 -0.17 -0.31 -0.00 0.00 0.00 175.17 174.29 1ocu s TYR 60 N -3.34 1.63 -0.14 2.11 1.51 0.16 -1.87 117.35 117.40 1ocu s TYR 60 Ca 0.24 -0.50 -0.14 0.00 -1.01 0.00 0.00 57.07 55.66 1ocu s TYR 60 Cb 0.04 -0.84 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1ocu s TYR 60 CO 0.06 0.23 0.32 -2.00 -1.11 0.00 0.00 175.55 173.05 1ocu s GLU 61 N -2.60 4.21 -0.24 -0.62 2.12 -0.09 0.67 118.70 122.15 1ocu s GLU 61 Ca 0.11 0.16 -0.07 0.00 0.36 0.00 0.00 54.97 55.54 1ocu s GLU 61 Cb -0.06 -3.40 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1ocu s GLU 61 CO 0.05 0.28 0.05 0.42 -0.54 0.00 0.00 175.26 175.52 1ocu s ILE 62 N 0.31 4.14 -0.09 -3.70 1.09 0.19 -1.30 121.20 121.86 1ocu s ILE 62 Ca 0.18 -0.23 0.03 0.00 -1.10 0.00 0.00 60.65 59.54 1ocu s ILE 62 Cb -0.14 -2.93 -0.01 0.00 -1.06 0.00 0.00 42.46 38.33 1ocu s ILE 62 CO 0.06 0.36 -0.19 -0.51 -0.10 0.00 0.00 174.94 174.55 1ocu s ILE 63 N 1.54 2.54 -0.01 2.92 2.07 -0.53 -1.30 121.20 128.44 1ocu s ILE 63 Ca 0.06 -0.87 -0.00 0.00 -1.41 0.00 0.00 60.65 58.43 1ocu s ILE 63 Cb -0.15 -2.00 0.01 0.00 0.13 0.00 0.00 42.46 40.45 1ocu s ILE 63 CO 0.02 0.56 0.01 0.00 -1.91 0.00 0.00 174.94 173.62 1ocu s ARG 65 N 0.18 2.26 0.24 0.00 0.52 -0.28 -0.92 118.95 120.95 1ocu s ARG 65 Ca -0.01 -0.58 -0.16 0.00 -0.52 0.00 0.00 55.73 54.45 1ocu s ARG 65 Cb -0.02 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.56 1ocu s ARG 65 CO -0.01 -0.04 0.56 -0.08 0.02 0.00 0.00 175.30 175.75 1ocu s THR 66 N 0.92 0.01 -0.00 0.02 -1.32 -0.37 -0.84 115.64 114.06 1ocu s THR 66 Ca -0.08 -1.13 0.01 0.00 -1.21 0.00 0.00 61.69 59.28 1ocu s THR 66 Cb -0.15 -1.98 0.01 0.00 -1.51 0.00 0.00 72.50 68.87 1ocu s THR 66 CO -0.01 -0.03 0.66 -0.46 -2.21 0.00 0.00 174.62 172.57 1ocu n ASN 67 N -0.39 0.41 -4.77 8.08 6.94 -1.15 -4.37 115.26 120.00 1ocu n ASN 67 Ca -0.05 -1.34 -0.40 0.00 -0.02 0.00 0.00 54.58 52.78 1ocu n ASN 67 Cb 0.61 -0.03 -0.01 0.00 -2.36 0.00 0.00 39.78 37.99 1ocu n ASN 67 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ocu s LEU 68 N -0.25 4.25 0.63 -4.53 1.43 -1.26 -4.90 118.68 114.04 1ocu s LEU 68 Ca 0.01 2.70 0.39 0.00 -1.03 0.00 0.00 54.13 56.19 1ocu s LEU 68 Cb 0.01 -3.85 2.10 0.00 0.03 0.00 0.00 46.19 44.48 1ocu s LEU 68 CO 0.00 -0.82 2.18 1.55 0.23 0.00 0.00 176.35 179.49 1ocu h PRO 69 N 2.79 0.00 0.00 1.29 0.13 -1.99 -2.31 132.00 131.92 1ocu h PRO 69 Ca -0.50 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 1ocu h PRO 69 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1ocu h PRO 69 CO 0.63 0.00 -0.61 0.77 -0.23 0.00 0.00 178.00 178.56 1ocu h SER 70 N 0.00 0.00 -3.63 1.44 0.02 -1.91 -3.45 113.55 106.02 1ocu h SER 70 Ca 0.00 0.00 -0.50 0.00 -0.84 0.00 0.00 61.79 60.45 1ocu h SER 70 Cb 0.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 1ocu h SER 70 CO 0.00 0.61 0.08 -0.36 -1.14 0.00 0.00 176.83 176.02 1ocu s PHE 71 N -3.51 3.46 -1.89 3.45 0.40 -0.87 -4.98 117.98 114.04 1ocu s PHE 71 Ca -0.01 1.01 0.19 0.00 -0.60 0.00 0.00 56.93 57.52 1ocu s PHE 71 Cb 0.12 -2.41 0.03 0.00 0.51 0.00 0.00 43.02 41.28 1ocu s PHE 71 CO 0.76 -0.04 0.99 0.72 0.70 0.00 0.00 175.22 178.35 1ocu n HIS 72 N -1.12 0.00 -3.59 0.36 8.25 -1.26 -4.93 115.22 112.94 1ocu n HIS 72 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 1ocu n HIS 72 Cb 0.54 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.61 1ocu n HIS 72 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1ocu s LYS 73 N -2.01 1.18 -0.03 -0.41 -2.85 -1.26 -5.08 119.74 109.28 1ocu s LYS 73 Ca 0.17 -0.67 -0.24 0.00 -1.00 0.00 0.00 55.97 54.24 1ocu s LYS 73 Cb 0.15 0.51 -0.21 0.00 -2.06 0.00 0.00 37.83 36.22 1ocu s LYS 73 CO 0.42 -0.49 1.12 -0.09 0.10 0.00 0.00 175.35 176.41 1ocu h ARG 74 N 2.23 0.18 -5.11 1.78 2.43 -1.93 -3.43 114.38 110.53 1ocu h ARG 74 Ca -0.33 -0.16 -0.67 0.00 -0.81 0.00 0.00 59.98 58.01 1ocu h ARG 74 Cb 1.27 0.03 -0.33 0.00 -0.42 0.00 0.00 29.97 30.53 1ocu h ARG 74 CO 0.43 0.83 -0.83 0.08 -1.51 0.00 0.00 179.97 178.97 1ocu s VAL 75 N -3.50 2.39 -0.04 0.20 1.01 -1.26 -1.23 120.40 117.97 1ocu s VAL 75 Ca -0.16 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1ocu s VAL 75 Cb 0.02 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 1ocu s VAL 75 CO 0.73 0.52 -0.22 -0.94 0.00 0.00 0.00 175.10 175.20 1ocu s SER 76 N 1.12 2.65 -0.17 3.32 1.04 -0.10 -4.98 113.70 116.58 1ocu s SER 76 Ca 0.01 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 55.99 1ocu s SER 76 Cb -0.14 -0.65 0.05 0.00 0.10 0.00 0.00 66.02 65.37 1ocu s SER 76 CO -0.07 0.22 -0.02 -0.54 0.98 0.00 0.00 173.24 173.81 1ocu s LYS 77 N -0.15 1.11 0.23 4.02 1.02 -1.26 -0.85 119.74 123.86 1ocu s LYS 77 Ca -0.01 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.54 1ocu s LYS 77 Cb -0.12 -1.97 -0.05 0.00 -0.52 0.00 0.00 37.83 35.17 1ocu s LYS 77 CO 0.02 -0.50 0.04 0.14 -0.92 0.00 0.00 175.35 174.13 1ocu s VAL 78 N 1.72 0.76 -0.02 3.17 -7.23 -0.42 -4.97 120.40 113.41 1ocu s VAL 78 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1ocu s VAL 78 Cb -0.16 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 1ocu s VAL 78 CO -0.07 -0.24 -0.26 -0.13 -0.31 0.00 0.00 175.10 174.09 1ocu s ARG 79 N -3.94 2.12 0.01 4.82 0.52 -1.26 0.58 118.95 121.80 1ocu s ARG 79 Ca 0.31 -0.93 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 1ocu s ARG 79 Cb 0.07 -2.04 -0.01 0.00 0.52 0.00 0.00 34.95 33.48 1ocu s ARG 79 CO 0.09 0.55 -0.02 1.03 0.02 0.00 0.00 175.30 176.98 1ocu s ARG 80 N -0.60 0.20 0.44 3.54 1.81 0.21 -4.89 118.95 119.67 1ocu s ARG 80 Ca 0.10 -0.38 -0.05 0.00 -1.72 0.00 0.00 55.73 53.68 1ocu s ARG 80 Cb -0.10 0.04 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 1ocu s ARG 80 CO -0.01 -0.02 0.73 1.03 -0.68 0.00 0.00 175.30 176.35 1ocu s ARG 81 N -0.88 3.56 0.22 3.54 0.52 -1.26 0.35 118.95 125.01 1ocu s ARG 81 Ca -0.09 0.13 -0.09 0.00 -0.52 0.00 0.00 55.73 55.16 1ocu s ARG 81 Cb -0.06 -2.44 0.19 0.00 0.52 0.00 0.00 34.95 33.16 1ocu s ARG 81 CO -0.01 -0.10 1.90 -0.92 0.02 0.00 0.00 175.30 176.19 1ocu h TYR 82 N 0.52 1.07 0.00 -0.53 5.03 -1.98 0.97 116.97 122.04 1ocu h TYR 82 Ca -0.47 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 60.83 1ocu h TYR 82 Cb 1.20 -0.36 -0.00 0.00 1.55 0.00 0.00 36.73 39.12 1ocu h TYR 82 CO 0.57 0.68 -0.12 0.66 -1.32 0.00 0.00 178.16 178.63 1ocu h SER 83 N 1.15 0.00 -0.21 -2.11 4.64 -1.94 -0.47 113.55 114.61 1ocu h SER 83 Ca 0.31 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.60 1ocu h SER 83 Cb -0.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1ocu h SER 83 CO -0.07 0.12 0.01 0.44 -0.87 0.00 0.00 176.83 176.47 1ocu h ASP 84 N 0.00 0.35 -0.79 4.97 3.32 -1.18 0.20 116.42 123.29 1ocu h ASP 84 Ca -0.00 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.79 1ocu h ASP 84 Cb 0.40 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.80 1ocu h ASP 84 CO 0.02 0.56 0.50 -0.26 -1.72 0.00 0.00 179.24 178.33 1ocu h PHE 85 N 0.13 0.93 -0.54 4.55 0.04 -0.62 0.36 116.94 121.79 1ocu h PHE 85 Ca 0.06 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.85 1ocu h PHE 85 Cb 0.37 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1ocu h PHE 85 CO 0.03 0.52 0.32 0.93 -0.60 0.00 0.00 178.31 179.51 1ocu h GLU 86 N 0.96 0.74 -0.35 1.51 5.08 -0.86 0.30 114.58 121.94 1ocu h GLU 86 Ca 0.32 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 1ocu h GLU 86 Cb 0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1ocu h GLU 86 CO -0.12 0.54 -0.00 0.35 -1.00 0.00 0.00 179.01 178.77 1ocu h PHE 87 N 0.73 0.68 -0.92 4.33 3.57 -0.26 -2.80 116.94 122.28 1ocu h PHE 87 Ca 0.19 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.64 1ocu h PHE 87 Cb -0.01 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.49 1ocu h PHE 87 CO -0.02 0.73 0.60 0.35 -2.23 0.00 0.00 178.31 177.74 1ocu h PHE 88 N 0.43 1.06 -0.66 0.41 3.57 0.05 -2.49 116.94 119.31 1ocu h PHE 88 Ca 0.10 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1ocu h PHE 88 Cb 0.46 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1ocu h PHE 88 CO 0.04 0.55 0.09 -0.09 -2.23 0.00 0.00 178.31 176.67 1ocu h ARG 89 N 1.04 1.11 -0.04 1.11 2.43 -0.71 0.38 114.38 119.70 1ocu h ARG 89 Ca 0.40 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1ocu h ARG 89 Cb 0.22 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1ocu h ARG 89 CO -0.16 1.03 0.00 1.63 -1.51 0.00 0.00 179.97 180.96 1ocu n LYS 90 N -4.21 0.05 0.00 0.20 5.02 -0.94 -1.08 118.16 117.20 1ocu n LYS 90 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1ocu n LYS 90 Cb 0.30 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1ocu n LYS 90 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ocu n LEU 92 N 0.39 0.00 -0.36 -0.35 7.94 0.12 -1.33 117.00 123.40 1ocu n LEU 92 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 1ocu n LEU 92 Cb 0.01 0.00 0.14 0.00 0.53 0.00 0.00 43.42 44.10 1ocu n LEU 92 CO 0.00 0.00 1.29 0.40 -1.11 0.00 0.00 177.39 177.97 1ocu h ILE 93 N 0.00 1.22 -0.22 1.96 2.04 -1.35 0.79 117.51 121.94 1ocu h ILE 93 Ca 0.00 -0.45 -0.11 0.00 1.00 0.00 0.00 64.86 65.30 1ocu h ILE 93 Cb 0.00 -0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 35.89 1ocu h ILE 93 CO 0.00 0.24 -0.31 0.50 0.00 0.00 0.00 178.15 178.58 1ocu h LYS 94 N 1.30 0.60 -0.50 2.37 3.64 -1.45 -2.82 116.57 119.70 1ocu h LYS 94 Ca 0.37 -0.35 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1ocu h LYS 94 Cb -0.10 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 1ocu h LYS 94 CO -0.09 0.95 0.30 1.49 -2.27 0.00 0.00 179.45 179.83 1ocu h GLU 95 N 0.29 0.58 -0.96 1.90 4.81 -1.71 -1.70 114.58 117.80 1ocu h GLU 95 Ca 0.03 -0.04 0.18 0.00 -0.13 0.00 0.00 59.36 59.40 1ocu h GLU 95 Cb 0.88 -0.13 -0.11 0.00 0.63 0.00 0.00 28.75 30.03 1ocu h GLU 95 CO 0.07 0.39 0.55 0.82 -0.73 0.00 0.00 179.01 180.11 1ocu h ILE 96 N 0.60 0.69 -0.16 2.32 1.08 -0.78 -0.65 117.51 120.61 1ocu h ILE 96 Ca 0.20 -0.24 -0.13 0.00 -0.39 0.00 0.00 64.86 64.30 1ocu h ILE 96 Cb 0.01 -0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 33.68 1ocu h ILE 96 CO -0.09 0.13 -0.45 -1.28 -0.69 0.00 0.00 178.15 175.77 1ocu h SER 97 N 0.70 0.42 1.16 1.72 0.87 -1.07 -3.00 113.55 114.35 1ocu h SER 97 Ca 0.55 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1ocu h SER 97 Cb 0.86 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1ocu h SER 97 CO -0.39 0.82 0.00 0.23 -0.53 0.00 0.00 176.83 176.95 1ocu n MET 98 N -3.99 0.14 -0.54 2.24 2.81 -0.31 -3.09 117.12 114.38 1ocu n MET 98 Ca -0.02 0.16 0.09 0.00 -1.81 0.00 0.00 57.70 56.12 1ocu n MET 98 Cb 0.53 -1.68 0.32 0.00 -0.71 0.00 0.00 33.22 31.68 1ocu n MET 98 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1ocu n LEU 99 N -1.93 4.28 -3.36 4.03 4.77 -0.86 -4.96 117.00 118.97 1ocu n LEU 99 Ca 0.06 -2.16 -0.18 0.00 -0.03 0.00 0.00 56.01 53.70 1ocu n LEU 99 Cb 0.36 -0.54 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1ocu n LEU 99 CO 0.27 0.76 0.02 -3.20 -1.33 0.00 0.00 177.39 173.91 1ocu n ASN 100 N 1.06 -5.42 -2.63 -1.43 5.15 -1.18 -4.96 115.26 105.84 1ocu n ASN 100 Ca 0.23 -0.74 -0.12 0.00 -0.60 0.00 0.00 54.58 53.36 1ocu n ASN 100 Cb 0.79 -4.91 0.03 0.00 -0.53 0.00 0.00 39.78 35.16 1ocu n ASN 100 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1ocu n HIS 101 N -3.55 1.53 0.00 1.20 8.25 -1.18 -4.96 115.22 116.50 1ocu n HIS 101 Ca -0.12 -2.82 0.00 0.00 -0.26 0.00 0.00 57.72 54.52 1ocu n HIS 101 Cb 0.63 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1ocu n HIS 101 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ocu n PRO 102 N -0.15 0.00 0.00 -0.41 -0.04 -1.26 -1.75 135.00 131.39 1ocu n PRO 102 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 1ocu n PRO 102 Cb 0.79 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1ocu n PRO 102 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1ocu n LYS 103 N -0.76 2.22 -3.01 0.54 5.02 -1.26 -5.01 118.16 115.89 1ocu n LYS 103 Ca 0.00 -0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 55.63 1ocu n LYS 103 Cb 0.00 -0.75 -0.05 0.00 -0.02 0.00 0.00 35.03 34.21 1ocu n LYS 103 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ocu s VAL 104 N -0.39 4.62 0.07 -0.18 0.11 -0.72 -5.06 120.40 118.85 1ocu s VAL 104 Ca 0.00 1.62 0.09 0.00 -2.93 0.00 0.00 61.98 60.76 1ocu s VAL 104 Cb 0.00 -4.10 -0.03 0.00 -1.53 0.00 0.00 36.38 30.71 1ocu s VAL 104 CO 0.00 0.43 -0.25 -0.04 -3.33 0.00 0.00 175.10 171.91 1ocu s MET 105 N -0.46 1.73 -0.21 1.54 -1.94 -1.26 -5.04 119.30 113.65 1ocu s MET 105 Ca 0.37 -1.16 -0.07 0.00 -1.71 0.00 0.00 55.69 53.12 1ocu s MET 105 Cb -0.21 -2.00 -0.03 0.00 2.01 0.00 0.00 34.83 34.60 1ocu s MET 105 CO 0.24 0.50 0.05 0.08 -0.01 0.00 0.00 175.02 175.87 1ocu s VAL 106 N -0.92 4.33 0.64 -6.03 1.01 -1.26 -5.09 120.40 113.09 1ocu s VAL 106 Ca 0.13 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1ocu s VAL 106 Cb -0.10 -2.98 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 1ocu s VAL 106 CO 0.04 0.40 1.23 -2.16 0.00 0.00 0.00 175.10 174.62 1ocu s PRO 107 N 1.07 2.64 0.62 2.72 0.04 -1.26 -4.97 135.00 135.86 1ocu s PRO 107 Ca 0.03 1.88 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 1ocu s PRO 107 Cb -0.14 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 1ocu s PRO 107 CO 0.03 -1.48 1.05 -3.38 0.04 0.00 0.00 177.00 173.26 1ocu s HIS 108 N -1.63 3.08 0.78 0.56 -3.43 -1.26 -5.03 115.29 108.36 1ocu s HIS 108 Ca 0.78 1.47 -0.11 0.00 -0.80 0.00 0.00 55.06 56.41 1ocu s HIS 108 Cb -0.32 -2.94 0.06 0.00 -1.43 0.00 0.00 32.58 27.94 1ocu s HIS 108 CO 0.38 -1.09 1.08 -0.51 -2.00 0.00 0.00 174.74 172.61 1ocu s LEU 109 N -4.83 2.82 0.29 5.38 1.43 -1.26 -4.94 118.68 117.56 1ocu s LEU 109 Ca 0.61 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 55.31 1ocu s LEU 109 Cb -0.15 -4.26 0.72 0.00 0.03 0.00 0.00 46.19 42.53 1ocu s LEU 109 CO 0.43 -1.96 1.62 1.55 0.23 0.00 0.00 176.35 178.22 1ocu h PRO 110 N -1.08 0.12 0.00 1.29 0.13 -1.94 -3.47 132.00 127.05 1ocu h PRO 110 Ca -0.45 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1ocu h PRO 110 Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1ocu h PRO 110 CO 0.55 0.08 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 1ocu n GLY 111 N -1.41 4.46 3.75 1.56 0.00 -1.26 -5.10 105.19 107.19 1ocu n GLY 111 Ca 0.22 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.61 1ocu n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ocu s LYS 112 N -4.18 2.59 0.05 1.61 1.02 -1.26 -5.05 119.74 114.51 1ocu s LYS 112 Ca 0.00 1.57 0.03 0.00 0.02 0.00 0.00 55.97 57.59 1ocu s LYS 112 Cb 0.00 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1ocu s LYS 112 CO 0.00 -1.45 -0.08 0.42 -0.92 0.00 0.00 175.35 173.31 1ocu s ILE 113 N -2.13 0.60 0.13 2.17 -1.09 -1.26 -5.13 121.20 114.50 1ocu s ILE 113 Ca 0.71 -1.11 -0.31 0.00 -2.23 0.00 0.00 60.65 57.70 1ocu s ILE 113 Cb -0.25 -0.66 -0.09 0.00 -1.58 0.00 0.00 42.46 39.88 1ocu s ILE 113 CO 0.41 -0.37 1.53 -1.48 -1.23 0.00 0.00 174.94 173.81 1ocu s LEU 114 N -1.61 4.37 0.20 2.97 2.34 -1.26 -4.90 118.68 120.78 1ocu s LEU 114 Ca -0.09 2.51 -0.07 0.00 0.06 0.00 0.00 54.13 56.54 1ocu s LEU 114 Cb -0.10 -3.59 0.30 0.00 -0.56 0.00 0.00 46.19 42.25 1ocu s LEU 114 CO 0.01 -0.79 1.13 -0.11 -1.06 0.00 0.00 176.35 175.52 1ocu n LEU 115 N 4.27 -0.30 0.00 1.48 7.94 -1.26 -2.00 117.00 127.13 1ocu n LEU 115 Ca 0.14 1.25 0.00 0.00 -1.11 0.00 0.00 56.01 56.28 1ocu n LEU 115 Cb 0.40 -0.36 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1ocu n LEU 115 CO 0.61 -1.18 0.02 -1.20 -1.11 0.00 0.00 177.39 174.52 1ocu n SER 116 N -5.16 0.00 0.33 1.96 7.64 -1.26 -2.82 113.62 114.31 1ocu n SER 116 Ca 0.11 0.03 0.13 0.00 1.01 0.00 0.00 58.87 60.15 1ocu n SER 116 Cb 0.35 0.00 0.68 0.00 -1.01 0.00 0.00 64.21 64.23 1ocu n SER 116 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ocu h ASN 117 N 0.00 0.00 -0.78 6.43 -1.07 -1.99 -2.59 115.58 115.58 1ocu h ASN 117 Ca 0.00 0.00 0.23 0.00 0.07 0.00 0.00 56.30 56.60 1ocu h ASN 117 Cb 0.00 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.22 1ocu h ASN 117 CO 0.00 0.00 0.87 -0.09 0.07 0.00 0.00 177.43 178.28 1ocu h ARG 118 N 0.00 0.00 -0.33 4.14 2.43 -1.24 0.47 114.38 119.85 1ocu h ARG 118 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ocu h ARG 118 Cb 0.84 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1ocu h ARG 118 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 1ocu n PHE 119 N -3.47 0.53 -2.34 2.20 0.99 -0.98 -4.66 117.46 109.73 1ocu n PHE 119 Ca 0.17 -0.56 -0.29 0.00 -0.00 0.00 0.00 57.45 56.76 1ocu n PHE 119 Cb 1.13 -0.07 -0.00 0.00 -1.00 0.00 0.00 39.48 39.54 1ocu n PHE 119 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1ocu s SER 120 N -1.15 6.31 0.04 4.37 1.04 0.16 -4.94 113.70 119.54 1ocu s SER 120 Ca 0.26 1.19 -0.15 0.00 0.48 0.00 0.00 55.95 57.73 1ocu s SER 120 Cb 0.15 -2.36 -0.07 0.00 0.10 0.00 0.00 66.02 63.84 1ocu s SER 120 CO 0.14 -0.67 1.23 -1.13 0.98 0.00 0.00 173.24 173.79 1ocu h ASN 121 N 0.18 -0.63 -1.00 7.02 -1.24 -1.95 -1.99 115.58 115.98 1ocu h ASN 121 Ca -0.46 0.06 0.23 0.00 0.71 0.00 0.00 56.30 56.84 1ocu h ASN 121 Cb 1.20 0.22 -0.09 0.00 0.73 0.00 0.00 38.32 40.37 1ocu h ASN 121 CO 0.62 -0.25 0.63 -0.08 -1.29 0.00 0.00 177.43 177.06 1ocu h GLU 122 N -0.36 0.49 -0.27 6.67 4.81 -1.95 -0.14 114.58 123.83 1ocu h GLU 122 Ca -0.01 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1ocu h GLU 122 Cb 0.34 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1ocu h GLU 122 CO -0.08 0.33 -0.26 0.28 -0.73 0.00 0.00 179.01 178.55 1ocu h VAL 123 N 0.51 1.31 -0.53 0.32 2.07 -1.79 -1.32 116.25 116.81 1ocu h VAL 123 Ca 0.56 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.59 1ocu h VAL 123 Cb 1.25 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1ocu h VAL 123 CO -0.30 0.45 0.01 0.40 0.02 0.00 0.00 177.57 178.14 1ocu h ILE 124 N 0.39 1.25 -0.23 4.57 1.08 -0.42 -2.05 117.51 122.10 1ocu h ILE 124 Ca 0.05 -1.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.42 1ocu h ILE 124 Cb 0.82 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 35.39 1ocu h ILE 124 CO 0.06 0.38 0.01 -0.08 -0.69 0.00 0.00 178.15 177.83 1ocu h GLU 125 N 0.83 0.41 -0.56 2.37 4.57 -0.96 -0.12 114.58 121.12 1ocu h GLU 125 Ca 0.16 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 58.13 1ocu h GLU 125 Cb 0.49 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.02 1ocu h GLU 125 CO 0.02 0.58 0.02 1.49 -1.18 0.00 0.00 179.01 179.94 1ocu h GLU 126 N 0.18 0.98 -0.72 1.92 4.81 -1.17 -1.55 114.58 119.04 1ocu h GLU 126 Ca 0.07 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 1ocu h GLU 126 Cb 0.39 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1ocu h GLU 126 CO 0.01 0.98 0.20 -0.09 -0.73 0.00 0.00 179.01 179.37 1ocu h ARG 127 N 0.87 1.13 -0.06 1.92 2.43 -1.33 -0.50 114.38 118.83 1ocu h ARG 127 Ca 0.16 -0.26 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1ocu h ARG 127 Cb 0.52 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1ocu h ARG 127 CO 0.03 0.98 -0.02 -0.09 -1.51 0.00 0.00 179.97 179.36 1ocu h ARG 128 N 1.08 0.00 -0.99 0.20 2.43 -0.71 0.14 114.38 116.52 1ocu h ARG 128 Ca 0.23 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1ocu h ARG 128 Cb 0.34 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1ocu h ARG 128 CO -0.00 0.00 0.65 1.96 -1.51 0.00 0.00 179.97 181.07 1ocu h GLN 129 N 0.00 1.26 -0.51 0.20 4.20 -1.00 0.12 115.11 119.38 1ocu h GLN 129 Ca 0.03 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1ocu h GLN 129 Cb 0.05 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1ocu h GLN 129 CO -0.07 0.83 0.22 0.78 -0.67 0.00 0.00 178.83 179.93 1ocu h GLY 130 N 1.30 0.81 1.18 3.46 0.00 -0.43 -1.83 103.07 107.56 1ocu h GLY 130 Ca 0.38 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.19 1ocu h GLY 130 CO -0.10 0.40 -0.03 1.41 0.00 0.00 0.00 176.54 178.22 1ocu h LEU 131 N 0.68 0.96 0.26 3.11 3.38 -0.03 -0.78 115.31 122.89 1ocu h LEU 131 Ca 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1ocu h LEU 131 Cb 0.16 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1ocu h LEU 131 CO -0.02 1.03 -0.14 -1.13 0.09 0.00 0.00 178.44 178.27 1ocu h ASN 132 N 0.89 -0.35 -0.42 -0.43 -1.24 -0.59 0.13 115.58 113.58 1ocu h ASN 132 Ca 0.16 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1ocu h ASN 132 Cb 0.56 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.69 1ocu h ASN 132 CO 0.03 -0.24 0.26 0.74 -1.29 0.00 0.00 177.43 176.94 1ocu h THR 133 N -0.38 1.12 -0.35 -3.57 2.02 -1.25 -1.56 112.91 108.95 1ocu h THR 133 Ca -0.03 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1ocu h THR 133 Cb 0.30 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1ocu h THR 133 CO 0.04 0.12 0.23 -0.25 0.37 0.00 0.00 175.52 176.03 1ocu h TRP 134 N 0.56 0.44 -0.50 3.16 7.01 -1.00 -2.31 115.95 123.32 1ocu h TRP 134 Ca 0.15 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.11 1ocu h TRP 134 Cb -0.03 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 26.86 1ocu h TRP 134 CO -0.04 0.29 0.13 1.98 -2.79 0.00 0.00 178.44 178.01 1ocu h MET 135 N 0.47 0.79 -0.33 2.65 4.05 -0.74 -1.43 114.93 120.39 1ocu h MET 135 Ca 0.13 -0.19 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 1ocu h MET 135 Cb -0.04 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 1ocu h MET 135 CO -0.03 0.76 -0.04 1.96 0.23 0.00 0.00 176.91 179.79 1ocu h GLN 136 N 0.68 0.52 -0.13 0.39 4.20 -1.20 0.26 115.11 119.83 1ocu h GLN 136 Ca 0.16 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1ocu h GLN 136 Cb 0.32 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 1ocu h GLN 136 CO 0.00 0.58 -0.18 1.03 -0.67 0.00 0.00 178.83 179.59 1ocu h SER 137 N 0.50 0.38 -0.03 1.46 0.87 -1.16 -1.15 113.55 114.42 1ocu h SER 137 Ca 0.10 -0.52 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1ocu h SER 137 Cb 0.39 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1ocu h SER 137 CO 0.02 0.83 0.00 0.58 -0.53 0.00 0.00 176.83 177.72 1ocu h VAL 138 N -0.05 1.24 0.00 2.23 2.07 -1.10 -2.98 116.25 117.66 1ocu h VAL 138 Ca 0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1ocu h VAL 138 Cb 0.74 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1ocu h VAL 138 CO 0.04 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1ocu h ALA 139 N 0.72 1.00 -0.21 1.67 0.00 -1.03 -2.83 119.26 118.57 1ocu h ALA 139 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ocu h ALA 139 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ocu h ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ocu n GLY 140 N 0.14 0.52 3.63 0.00 0.00 -0.43 -4.72 105.19 104.33 1ocu n GLY 140 Ca 0.02 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 1ocu n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ocu s HIS 141 N -1.73 3.26 0.21 1.61 2.46 -1.07 -4.97 115.29 115.06 1ocu s HIS 141 Ca 0.32 1.02 -0.20 0.00 0.47 0.00 0.00 55.06 56.67 1ocu s HIS 141 Cb 0.18 -3.14 0.17 0.00 -0.13 0.00 0.00 32.58 29.66 1ocu s HIS 141 CO 0.26 -0.48 1.55 -1.35 -2.47 0.00 0.00 174.74 172.26 1ocu h PRO 142 N 7.86 -0.03 -0.66 2.88 0.11 -1.91 -0.34 132.00 139.92 1ocu h PRO 142 Ca -0.23 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.84 1ocu h PRO 142 Cb 1.09 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1ocu h PRO 142 CO 0.88 -0.02 0.26 -0.07 -0.21 0.00 0.00 178.00 178.85 1ocu h LEU 143 N -0.03 0.88 -0.38 2.35 3.38 -1.98 -2.54 115.31 117.00 1ocu h LEU 143 Ca 0.30 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 1ocu h LEU 143 Cb 0.57 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ocu h LEU 143 CO -0.93 0.79 -0.56 -0.07 0.09 0.00 0.00 178.44 177.76 1ocu h LEU 144 N 0.95 0.83 -1.40 1.67 3.38 -1.56 -0.67 115.31 118.51 1ocu h LEU 144 Ca 0.22 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1ocu h LEU 144 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1ocu h LEU 144 CO -0.02 1.22 -0.03 1.56 0.09 0.00 0.00 178.44 181.26 1ocu h GLN 145 N 0.57 0.36 0.06 1.13 4.20 -0.86 -0.11 115.11 120.46 1ocu h GLN 145 Ca 0.01 -0.07 -0.36 0.00 0.06 0.00 0.00 58.65 58.29 1ocu h GLN 145 Cb 1.14 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 1ocu h GLN 145 CO 0.12 0.41 -2.13 -1.13 -0.67 0.00 0.00 178.83 175.43 1ocu n SER 146 N -4.32 1.67 -0.00 1.46 3.41 -0.98 -4.60 113.62 110.26 1ocu n SER 146 Ca 0.00 0.12 0.06 0.00 -0.26 0.00 0.00 58.87 58.80 1ocu n SER 146 Cb 0.22 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.68 1ocu n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocu n GLY 147 N 1.97 -0.28 3.56 5.00 0.00 -0.27 -4.90 105.19 110.29 1ocu n GLY 147 Ca -0.34 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 1ocu n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ocu s SER 148 N -2.33 6.49 0.06 1.61 0.15 -0.05 -4.88 113.70 114.75 1ocu s SER 148 Ca 0.04 0.13 -0.16 0.00 0.70 0.00 0.00 55.95 56.67 1ocu s SER 148 Cb 0.10 -2.41 -0.18 0.00 -1.71 0.00 0.00 66.02 61.82 1ocu s SER 148 CO 0.55 -0.90 1.24 0.11 1.20 0.00 0.00 173.24 175.44 1ocu h LYS 149 N 8.84 0.62 -0.95 5.44 1.79 -1.93 -3.25 116.57 127.14 1ocu h LYS 149 Ca -0.24 -0.52 0.08 0.00 -2.18 0.00 0.00 60.65 57.79 1ocu h LYS 149 Cb 1.08 0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 31.78 1ocu h LYS 149 CO 0.97 1.14 0.61 0.28 -1.08 0.00 0.00 179.45 181.37 1ocu h VAL 150 N 0.26 1.04 -0.62 0.50 2.07 -1.96 -2.06 116.25 115.47 1ocu h VAL 150 Ca -0.05 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1ocu h VAL 150 Cb 1.27 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1ocu h VAL 150 CO 0.13 0.19 0.29 0.25 0.02 0.00 0.00 177.57 178.45 1ocu h LEU 151 N 1.05 0.83 -0.25 2.57 7.12 -1.91 -1.12 115.31 123.59 1ocu h LEU 151 Ca 0.42 -0.14 -0.03 0.00 0.13 0.00 0.00 57.88 58.26 1ocu h LEU 151 Cb 0.26 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.16 1ocu h LEU 151 CO -0.17 0.73 0.05 0.58 -0.13 0.00 0.00 178.44 179.51 1ocu h VAL 152 N 0.86 1.22 -0.60 1.05 2.07 -1.47 -2.56 116.25 116.82 1ocu h VAL 152 Ca 0.21 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.04 1ocu h VAL 152 Cb 0.14 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1ocu h VAL 152 CO -0.03 0.23 0.36 -0.09 0.02 0.00 0.00 177.57 178.07 1ocu h ARG 153 N 0.23 0.69 -0.73 1.57 2.43 -1.17 0.30 114.38 117.70 1ocu h ARG 153 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1ocu h ARG 153 Cb 0.30 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1ocu h ARG 153 CO 0.00 0.46 0.47 0.35 -1.51 0.00 0.00 179.97 179.74 1ocu h PHE 154 N 0.71 0.94 0.00 2.20 3.57 -1.07 -1.69 116.94 121.59 1ocu h PHE 154 Ca 0.25 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 1ocu h PHE 154 Cb 0.04 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 1ocu h PHE 154 CO -0.06 0.60 -0.67 0.82 -2.23 0.00 0.00 178.31 176.78 1ocu h ILE 155 N 1.00 0.80 0.00 1.41 2.04 -0.99 -3.41 117.51 118.36 1ocu h ILE 155 Ca 0.27 -2.18 -0.27 0.00 1.00 0.00 0.00 64.86 63.68 1ocu h ILE 155 Cb -0.09 2.35 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 1ocu h ILE 155 CO -0.06 0.46 -2.01 -0.62 0.00 0.00 0.00 178.15 175.92 1ocu n GLU 156 N -3.16 0.80 -1.90 2.37 1.02 0.04 -4.61 120.64 115.20 1ocu n GLU 156 Ca 0.00 0.07 -0.39 0.00 -0.02 0.00 0.00 57.16 56.82 1ocu n GLU 156 Cb 0.75 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.83 1ocu n GLU 156 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ocu s ALA 157 N -2.35 3.06 0.08 0.62 0.00 -0.66 -4.91 121.76 117.60 1ocu s ALA 157 Ca -0.19 1.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.84 1ocu s ALA 157 Cb 0.06 -3.54 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 1ocu s ALA 157 CO 0.46 -1.13 1.71 1.49 0.00 0.00 0.00 175.76 178.29 1ocu h GLU 158 N 2.05 -0.05 -5.69 0.00 4.81 -1.95 -3.42 114.58 110.33 1ocu h GLU 158 Ca -0.50 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.11 1ocu h GLU 158 Cb 1.27 0.01 -0.31 0.00 0.63 0.00 0.00 28.75 30.35 1ocu h GLU 158 CO 0.60 -0.01 -0.86 0.15 -0.73 0.00 0.00 179.01 178.16 1ocu s LYS 159 N -6.09 2.02 -0.20 1.92 -0.14 -1.26 -4.62 119.74 111.37 1ocu s LYS 159 Ca -0.13 -0.74 -0.16 0.00 -1.36 0.00 0.00 55.97 53.58 1ocu s LYS 159 Cb 0.06 -1.77 -0.09 0.00 -1.68 0.00 0.00 37.83 34.34 1ocu s LYS 159 CO 0.66 0.33 -0.22 0.34 -0.76 0.00 0.00 175.35 175.70 1ocu n PHE 160 N 2.96 0.37 -0.10 3.18 7.35 -1.26 -5.09 117.46 124.87 1ocu n PHE 160 Ca -0.17 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 1ocu n PHE 160 Cb 0.53 -0.80 0.00 0.00 0.35 0.00 0.00 39.48 39.56 1ocu n PHE 160 CO 0.00 0.00 0.00 1.55 -0.76 0.00 0.00 176.76 177.55