#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bx2 s GLU 3 N 0.00 1.75 -0.14 -1.58 -1.05 -1.26 -5.03 118.70 111.40 1bx2 s GLU 3 Ca 0.00 1.02 -0.01 0.00 -0.15 0.00 0.00 54.97 55.83 1bx2 s GLU 3 Cb 0.00 -1.85 -0.09 0.00 -0.44 0.00 0.00 34.13 31.75 1bx2 s GLU 3 CO 0.00 -1.95 -0.14 0.39 0.95 0.00 0.00 175.26 174.50 1bx2 n GLU 4 N -3.71 0.35 -3.78 -4.83 1.02 -1.26 -5.08 120.64 103.34 1bx2 n GLU 4 Ca 0.08 0.10 -0.10 0.00 -0.02 0.00 0.00 57.16 57.22 1bx2 n GLU 4 Cb 0.54 -1.22 -0.07 0.00 -0.02 0.00 0.00 31.44 30.67 1bx2 n GLU 4 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1bx2 s HIS 5 N -2.28 0.01 -0.02 -0.32 3.76 -1.26 -5.09 115.29 110.08 1bx2 s HIS 5 Ca -0.20 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.38 1bx2 s HIS 5 Cb 0.06 0.05 0.03 0.00 1.11 0.00 0.00 32.58 33.83 1bx2 s HIS 5 CO 0.31 -0.56 0.04 0.08 -0.85 0.00 0.00 174.74 173.76 1bx2 s VAL 6 N -3.48 -0.06 -0.10 -0.90 1.01 -1.26 -5.02 120.40 110.58 1bx2 s VAL 6 Ca 0.02 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.25 1bx2 s VAL 6 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.30 1bx2 s VAL 6 CO -0.09 0.09 -0.18 -0.63 0.00 0.00 0.00 175.10 174.29 1bx2 s ILE 7 N 1.14 2.61 -0.05 2.22 1.01 -1.26 -1.22 121.20 125.64 1bx2 s ILE 7 Ca -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1bx2 s ILE 7 Cb -0.13 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1bx2 s ILE 7 CO -0.03 0.55 -0.13 -0.63 0.00 0.00 0.00 174.94 174.70 1bx2 s ILE 8 N 0.08 1.16 -0.49 2.92 1.01 0.04 -4.97 121.20 120.95 1bx2 s ILE 8 Ca -0.08 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 59.92 1bx2 s ILE 8 Cb -0.15 -1.04 0.11 0.00 0.01 0.00 0.00 42.46 41.39 1bx2 s ILE 8 CO 0.05 0.35 0.40 -1.58 0.00 0.00 0.00 174.94 174.17 1bx2 s GLN 9 N 0.44 2.76 0.02 2.79 0.74 -1.26 -0.63 119.66 124.52 1bx2 s GLN 9 Ca -0.10 -1.65 0.03 0.00 0.05 0.00 0.00 55.36 53.68 1bx2 s GLN 9 Cb -0.14 -4.08 -0.04 0.00 1.10 0.00 0.00 33.01 29.86 1bx2 s GLN 9 CO 0.03 -1.19 -0.02 0.00 -0.55 0.00 0.00 175.29 173.55 1bx2 s ALA 10 N 1.50 3.19 0.27 1.58 0.00 0.46 -4.97 121.76 123.79 1bx2 s ALA 10 Ca 0.04 -1.00 -0.11 0.00 0.00 0.00 0.00 51.96 50.89 1bx2 s ALA 10 Cb -0.27 -1.24 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 1bx2 s ALA 10 CO 0.02 0.64 0.48 -1.83 0.00 0.00 0.00 175.76 175.07 1bx2 s GLU 11 N -1.64 1.63 -0.13 0.00 -1.05 -1.26 -0.56 118.70 115.70 1bx2 s GLU 11 Ca 0.20 -1.37 -0.31 0.00 -0.15 0.00 0.00 54.97 53.33 1bx2 s GLU 11 Cb -0.11 0.46 0.13 0.00 -0.44 0.00 0.00 34.13 34.17 1bx2 s GLU 11 CO 0.11 -0.68 1.07 -0.59 0.95 0.00 0.00 175.26 176.12 1bx2 s PHE 12 N -3.76 -0.25 0.00 4.83 -0.12 -0.65 -4.94 117.98 113.10 1bx2 s PHE 12 Ca 0.24 0.25 0.02 0.00 -0.05 0.00 0.00 56.93 57.40 1bx2 s PHE 12 Cb -0.00 0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1bx2 s PHE 12 CO 0.11 -0.33 -0.08 -0.47 -0.05 0.00 0.00 175.22 174.40 1bx2 s TYR 13 N -2.23 0.71 -0.03 3.49 6.14 -1.26 -0.81 117.35 123.36 1bx2 s TYR 13 Ca 0.05 -0.19 0.01 0.00 0.64 0.00 0.00 57.07 57.58 1bx2 s TYR 13 Cb -0.01 -0.45 0.02 0.00 0.42 0.00 0.00 41.96 41.95 1bx2 s TYR 13 CO -0.05 -0.02 -0.03 -1.17 0.64 0.00 0.00 175.55 174.93 1bx2 s LEU 14 N -0.44 1.32 0.16 6.97 2.96 -0.17 -4.99 118.68 124.48 1bx2 s LEU 14 Ca 0.01 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 1bx2 s LEU 14 Cb -0.04 -0.33 -0.04 0.00 0.50 0.00 0.00 46.19 46.28 1bx2 s LEU 14 CO -0.00 -0.06 -0.16 0.20 -1.32 0.00 0.00 176.35 175.01 1bx2 s ASN 15 N 0.86 3.94 0.36 3.68 0.01 -1.26 0.85 114.94 123.38 1bx2 s ASN 15 Ca -0.10 -0.63 0.27 0.00 -0.71 0.00 0.00 52.86 51.69 1bx2 s ASN 15 Cb -0.13 -0.56 1.00 0.00 0.41 0.00 0.00 41.25 41.97 1bx2 s ASN 15 CO -0.01 0.14 1.79 -0.65 -1.51 0.00 0.00 177.10 176.87 1bx2 h PRO 16 N 3.31 0.00 -1.12 -0.60 0.11 -2.01 -3.46 132.00 128.22 1bx2 h PRO 16 Ca -0.48 0.00 0.31 0.00 0.11 0.00 0.00 66.00 65.94 1bx2 h PRO 16 Cb 1.19 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1bx2 h PRO 16 CO 0.50 0.00 0.74 -0.44 -0.21 0.00 0.00 178.00 178.58 1bx2 h ASP 17 N 0.00 0.34 -4.89 -2.05 5.19 -2.03 -3.45 116.42 109.53 1bx2 h ASP 17 Ca 0.00 0.08 -0.30 0.00 -0.62 0.00 0.00 57.03 56.19 1bx2 h ASP 17 Cb 0.54 0.03 0.12 0.00 0.18 0.00 0.00 39.33 40.20 1bx2 h ASP 17 CO 0.00 0.02 -0.57 0.00 -3.12 0.00 0.00 179.24 175.57 1bx2 n GLN 18 N -4.58 -6.00 -5.18 3.56 6.02 0.25 -5.01 117.38 106.44 1bx2 n GLN 18 Ca 0.28 0.67 -0.32 0.00 -0.01 0.00 0.00 57.00 57.62 1bx2 n GLN 18 Cb 1.05 -5.21 -0.16 0.00 1.02 0.00 0.00 30.24 26.94 1bx2 n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1bx2 s SER 19 N -3.56 3.26 0.38 1.08 1.04 -0.92 -4.94 113.70 110.03 1bx2 s SER 19 Ca 0.30 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.30 1bx2 s SER 19 Cb -0.13 -0.97 -0.03 0.00 0.10 0.00 0.00 66.02 64.98 1bx2 s SER 19 CO 0.58 0.24 0.12 -0.83 0.98 0.00 0.00 173.24 174.33 1bx2 s GLY 20 N -0.12 2.42 -0.06 7.32 0.00 -1.26 -1.00 107.32 114.62 1bx2 s GLY 20 Ca -0.04 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 42.90 1bx2 s GLY 20 CO 0.04 -1.80 0.67 1.85 0.00 0.00 0.00 173.10 173.86 1bx2 s GLU 21 N -3.77 1.04 -0.05 2.90 2.12 0.01 -4.95 118.70 116.00 1bx2 s GLU 21 Ca 0.28 0.28 -0.00 0.00 0.36 0.00 0.00 54.97 55.88 1bx2 s GLU 21 Cb 0.04 0.49 0.03 0.00 0.26 0.00 0.00 34.13 34.95 1bx2 s GLU 21 CO 0.15 -0.32 -0.01 0.12 -0.54 0.00 0.00 175.26 174.66 1bx2 s PHE 22 N -1.13 0.55 0.11 5.30 2.19 -1.26 -1.63 117.98 122.11 1bx2 s PHE 22 Ca -0.11 -0.11 -0.24 0.00 0.33 0.00 0.00 56.93 56.80 1bx2 s PHE 22 Cb -0.00 -0.63 0.07 0.00 -1.31 0.00 0.00 43.02 41.14 1bx2 s PHE 22 CO 0.09 -0.22 0.60 0.00 1.83 0.00 0.00 175.22 177.53 1bx2 s MET 23 N 1.41 1.22 0.01 10.12 0.23 0.28 -1.78 119.30 130.78 1bx2 s MET 23 Ca -0.04 -0.32 0.04 0.00 -1.03 0.00 0.00 55.69 54.34 1bx2 s MET 23 Cb -0.13 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 33.70 1bx2 s MET 23 CO -0.03 -0.50 -0.09 -0.06 -2.03 0.00 0.00 175.02 172.31 1bx2 s PHE 24 N -3.18 2.82 -0.02 3.16 0.40 -0.72 -0.40 117.98 120.05 1bx2 s PHE 24 Ca -0.02 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1bx2 s PHE 24 Cb -0.01 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.94 1bx2 s PHE 24 CO -0.08 0.34 -0.07 0.34 0.70 0.00 0.00 175.22 176.45 1bx2 s ASP 25 N -1.37 0.93 -0.18 1.36 -1.08 0.20 -1.50 116.67 115.02 1bx2 s ASP 25 Ca 0.16 -0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.06 1bx2 s ASP 25 Cb -0.11 -0.22 0.03 0.00 -1.46 0.00 0.00 42.92 41.15 1bx2 s ASP 25 CO 0.07 0.05 -0.16 0.12 0.52 0.00 0.00 175.17 175.76 1bx2 s PHE 26 N 0.17 2.62 -0.82 -5.34 2.19 0.16 -0.78 117.98 116.17 1bx2 s PHE 26 Ca -0.02 -1.60 -0.02 0.00 0.33 0.00 0.00 56.93 55.62 1bx2 s PHE 26 Cb -0.07 -1.79 0.02 0.00 -1.31 0.00 0.00 43.02 39.87 1bx2 s PHE 26 CO -0.00 -0.77 0.11 -0.25 1.83 0.00 0.00 175.22 176.13 1bx2 n ASP 27 N 4.65 -3.00 0.00 6.13 8.00 -0.36 -0.71 116.55 131.26 1bx2 n ASP 27 Ca -0.18 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1bx2 n ASP 27 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 1bx2 n ASP 27 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bx2 n GLY 28 N -0.79 2.23 3.80 0.44 0.00 -1.26 -5.06 105.19 104.55 1bx2 n GLY 28 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1bx2 n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bx2 s ASP 29 N -1.49 5.65 -0.03 1.61 1.01 0.11 -5.04 116.67 118.49 1bx2 s ASP 29 Ca 0.00 0.01 -0.27 0.00 0.71 0.00 0.00 52.55 53.00 1bx2 s ASP 29 Cb 0.00 -1.55 -0.03 0.00 1.01 0.00 0.00 42.92 42.35 1bx2 s ASP 29 CO 0.00 0.15 0.83 -0.70 0.21 0.00 0.00 175.17 175.66 1bx2 s GLU 30 N -2.54 4.50 -0.15 8.23 2.12 -1.26 0.38 118.70 129.97 1bx2 s GLU 30 Ca 0.30 1.14 -0.22 0.00 0.36 0.00 0.00 54.97 56.55 1bx2 s GLU 30 Cb -0.12 -3.45 -0.24 0.00 0.26 0.00 0.00 34.13 30.58 1bx2 s GLU 30 CO 0.23 0.03 0.52 0.82 -0.54 0.00 0.00 175.26 176.31 1bx2 h ILE 31 N 4.74 1.24 -2.28 -3.70 2.04 -1.62 -3.41 117.51 114.52 1bx2 h ILE 31 Ca -0.41 -2.31 0.19 0.00 1.00 0.00 0.00 64.86 63.33 1bx2 h ILE 31 Cb 1.21 2.77 -0.08 0.00 -0.74 0.00 0.00 36.82 39.98 1bx2 h ILE 31 CO 0.75 0.54 0.54 0.72 0.00 0.00 0.00 178.15 180.70 1bx2 s PHE 32 N -2.36 -0.08 0.00 1.37 -0.71 -1.24 -0.79 117.98 114.17 1bx2 s PHE 32 Ca -0.22 -0.22 -0.20 0.00 -1.04 0.00 0.00 56.93 55.24 1bx2 s PHE 32 Cb 0.03 0.64 0.04 0.00 -1.21 0.00 0.00 43.02 42.52 1bx2 s PHE 32 CO 0.68 -0.79 0.45 -3.38 -1.34 0.00 0.00 175.22 170.85 1bx2 s HIS 33 N -3.00 -0.35 -0.12 3.49 -3.43 -0.81 -1.75 115.29 109.33 1bx2 s HIS 33 Ca 0.14 0.47 -0.14 0.00 -0.80 0.00 0.00 55.06 54.74 1bx2 s HIS 33 Cb -0.01 0.24 -0.05 0.00 -1.43 0.00 0.00 32.58 31.33 1bx2 s HIS 33 CO 0.02 -0.53 0.32 0.08 -2.00 0.00 0.00 174.74 172.64 1bx2 s VAL 34 N -1.80 5.25 -0.44 -5.38 1.01 -0.73 -0.50 120.40 117.80 1bx2 s VAL 34 Ca -0.09 0.62 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 1bx2 s VAL 34 Cb -0.02 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1bx2 s VAL 34 CO 0.03 0.45 1.01 -0.62 0.00 0.00 0.00 175.10 175.97 1bx2 s ASP 35 N -0.02 6.60 0.17 3.32 2.15 0.13 -4.55 116.67 124.48 1bx2 s ASP 35 Ca 0.19 0.38 -0.14 0.00 0.43 0.00 0.00 52.55 53.41 1bx2 s ASP 35 Cb -0.14 -2.50 0.07 0.00 -0.30 0.00 0.00 42.92 40.06 1bx2 s ASP 35 CO 0.07 -1.09 1.82 0.24 -0.17 0.00 0.00 175.17 176.04 1bx2 h MET 36 N 8.98 0.62 -0.17 4.34 2.86 -1.93 0.66 114.93 130.30 1bx2 h MET 36 Ca -0.23 -0.04 -0.22 0.00 -2.06 0.00 0.00 59.70 57.15 1bx2 h MET 36 Cb 1.07 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.60 1bx2 h MET 36 CO 1.06 0.41 -0.75 0.00 1.06 0.00 0.00 176.91 178.68 1bx2 h ALA 37 N 1.20 0.31 -0.12 6.32 0.00 -1.98 -3.18 119.26 121.82 1bx2 h ALA 37 Ca 0.19 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1bx2 h ALA 37 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1bx2 h ALA 37 CO -0.07 0.67 0.00 0.36 0.00 0.00 0.00 179.25 180.22 1bx2 n LYS 38 N -3.95 1.99 -4.16 0.00 2.85 -1.19 -4.97 118.16 108.73 1bx2 n LYS 38 Ca -0.07 -1.46 -0.37 0.00 -1.05 0.00 0.00 58.31 55.35 1bx2 n LYS 38 Cb 0.73 -1.46 -0.04 0.00 -0.65 0.00 0.00 35.03 33.62 1bx2 n LYS 38 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1bx2 n LYS 39 N 0.73 -0.86 -3.78 -1.58 4.01 0.23 -4.95 118.16 111.96 1bx2 n LYS 39 Ca 0.17 0.13 -0.13 0.00 -0.51 0.00 0.00 58.31 57.97 1bx2 n LYS 39 Cb 0.45 -3.24 -0.10 0.00 -0.51 0.00 0.00 35.03 31.63 1bx2 n LYS 39 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 1bx2 s GLU 40 N -7.28 0.48 0.18 1.97 -1.05 -1.03 -4.86 118.70 107.11 1bx2 s GLU 40 Ca 0.23 0.13 -0.30 0.00 -0.15 0.00 0.00 54.97 54.88 1bx2 s GLU 40 Cb -0.12 0.22 -0.08 0.00 -0.44 0.00 0.00 34.13 33.71 1bx2 s GLU 40 CO 0.97 -0.10 1.05 -0.08 0.95 0.00 0.00 175.26 178.05 1bx2 s THR 41 N -0.50 3.99 -0.24 1.83 -1.32 -1.26 -0.69 115.64 117.44 1bx2 s THR 41 Ca -0.06 1.77 0.03 0.00 -1.21 0.00 0.00 61.69 62.21 1bx2 s THR 41 Cb -0.04 -4.13 0.05 0.00 -1.51 0.00 0.00 72.50 66.88 1bx2 s THR 41 CO 0.02 0.33 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.95 1bx2 s VAL 42 N -0.43 2.11 0.64 5.08 1.01 0.34 -4.92 120.40 124.23 1bx2 s VAL 42 Ca 0.47 -1.49 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 1bx2 s VAL 42 Cb -0.28 -2.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1bx2 s VAL 42 CO 0.34 0.07 1.08 0.26 0.00 0.00 0.00 175.10 176.85 1bx2 s TRP 43 N 1.15 2.82 0.13 5.22 0.52 -1.26 -1.93 118.94 125.60 1bx2 s TRP 43 Ca -0.06 1.52 0.01 0.00 0.02 0.00 0.00 56.10 57.58 1bx2 s TRP 43 Cb -0.19 -3.06 -0.11 0.00 -1.15 0.00 0.00 33.47 28.96 1bx2 s TRP 43 CO -0.06 -1.41 1.30 -0.09 0.02 0.00 0.00 176.95 176.70 1bx2 h ARG 44 N 0.03 0.21 -4.41 4.98 9.65 -1.20 -3.43 114.38 120.22 1bx2 h ARG 44 Ca -0.46 -0.28 -0.49 0.00 -1.10 0.00 0.00 59.98 57.65 1bx2 h ARG 44 Cb 1.23 0.09 -0.34 0.00 -1.39 0.00 0.00 29.97 29.56 1bx2 h ARG 44 CO 0.55 1.04 -0.80 -0.51 2.80 0.00 0.00 179.97 183.05 1bx2 s LEU 45 N -7.30 1.54 0.49 3.80 1.43 -1.26 -5.04 118.68 112.34 1bx2 s LEU 45 Ca -0.03 -0.26 0.27 0.00 -1.03 0.00 0.00 54.13 53.08 1bx2 s LEU 45 Cb 0.09 -0.75 1.34 0.00 0.03 0.00 0.00 46.19 46.91 1bx2 s LEU 45 CO 0.85 0.00 1.86 1.05 0.23 0.00 0.00 176.35 180.34 1bx2 h GLU 46 N 7.12 0.14 -0.59 1.70 4.11 -2.00 -1.22 114.58 123.85 1bx2 h GLU 46 Ca -0.32 -0.01 0.06 0.00 0.07 0.00 0.00 59.36 59.16 1bx2 h GLU 46 Cb 1.18 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.34 1bx2 h GLU 46 CO 0.47 0.10 0.30 0.93 0.07 0.00 0.00 179.01 180.88 1bx2 h GLU 47 N 0.15 0.56 -0.97 1.06 5.08 -1.98 -1.84 114.58 116.64 1bx2 h GLU 47 Ca 0.46 -0.03 0.30 0.00 -1.00 0.00 0.00 59.36 59.09 1bx2 h GLU 47 Cb 1.58 -0.13 -0.15 0.00 0.50 0.00 0.00 28.75 30.55 1bx2 h GLU 47 CO -0.08 0.37 0.45 0.74 -1.00 0.00 0.00 179.01 179.48 1bx2 h PHE 48 N 0.57 0.72 0.00 4.33 0.04 -1.63 0.38 116.94 121.34 1bx2 h PHE 48 Ca 0.27 0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.08 1bx2 h PHE 48 Cb 0.18 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1bx2 h PHE 48 CO -0.10 -0.22 0.01 0.78 -0.60 0.00 0.00 178.31 178.18 1bx2 h GLY 49 N 0.26 0.00 0.18 -1.45 0.00 -1.46 -0.85 103.07 99.75 1bx2 h GLY 49 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1bx2 h GLY 49 CO -0.65 0.00 -0.03 0.54 0.00 0.00 0.00 176.54 176.40 1bx2 n ARG 50 N -2.99 1.28 -0.03 4.80 5.12 0.13 -4.21 116.66 120.77 1bx2 n ARG 50 Ca -0.03 -0.56 -0.03 0.00 -1.93 0.00 0.00 57.85 55.29 1bx2 n ARG 50 Cb 0.07 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 29.85 1bx2 n ARG 50 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1bx2 n PHE 51 N -0.37 0.00 -4.51 -1.55 3.01 -0.34 -5.08 117.46 108.62 1bx2 n PHE 51 Ca 0.19 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.40 1bx2 n PHE 51 Cb 0.28 -0.24 -0.08 0.00 -0.01 0.00 0.00 39.48 39.43 1bx2 n PHE 51 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bx2 s ALA 52 N -2.12 2.92 0.14 4.37 0.00 -1.11 -5.16 121.76 120.79 1bx2 s ALA 52 Ca -0.06 -1.24 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 1bx2 s ALA 52 Cb 0.02 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.94 1bx2 s ALA 52 CO 0.17 -0.35 0.40 -1.54 0.00 0.00 0.00 175.76 174.43 1bx2 s SER 53 N -3.61 -0.19 -0.18 0.00 1.04 -1.26 -4.68 113.70 104.82 1bx2 s SER 53 Ca 0.24 -0.42 -0.14 0.00 0.48 0.00 0.00 55.95 56.11 1bx2 s SER 53 Cb 0.02 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.68 1bx2 s SER 53 CO 0.15 -0.88 0.47 0.12 0.98 0.00 0.00 173.24 174.08 1bx2 s PHE 54 N -3.83 -0.60 -0.63 5.02 5.36 -1.26 -5.11 117.98 116.92 1bx2 s PHE 54 Ca 0.05 1.36 -0.27 0.00 -0.96 0.00 0.00 56.93 57.11 1bx2 s PHE 54 Cb 0.02 0.25 0.04 0.00 -0.34 0.00 0.00 43.02 42.98 1bx2 s PHE 54 CO -0.09 -0.31 1.16 -1.83 -1.46 0.00 0.00 175.22 172.69 1bx2 s GLU 55 N 0.81 3.35 0.46 10.12 -1.05 -1.26 -4.78 118.70 126.34 1bx2 s GLU 55 Ca -0.04 -0.08 0.30 0.00 -0.15 0.00 0.00 54.97 55.00 1bx2 s GLU 55 Cb -0.05 -4.09 1.38 0.00 -0.44 0.00 0.00 34.13 30.93 1bx2 s GLU 55 CO -0.06 -1.81 1.70 0.00 0.95 0.00 0.00 175.26 176.04 1bx2 h ALA 56 N 9.66 2.77 -0.89 -0.84 0.00 -1.95 -1.49 119.26 126.52 1bx2 h ALA 56 Ca -0.26 0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1bx2 h ALA 56 Cb 1.06 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1bx2 h ALA 56 CO 1.20 -1.26 0.57 0.37 0.00 0.00 0.00 179.25 180.13 1bx2 h GLN 57 N 0.16 0.82 -0.92 0.00 5.75 -1.90 -1.92 115.11 117.10 1bx2 h GLN 57 Ca 0.71 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 59.24 1bx2 h GLN 57 Cb 2.29 -0.19 -0.06 0.00 1.07 0.00 0.00 27.48 30.60 1bx2 h GLN 57 CO -0.26 0.55 0.59 0.78 -2.65 0.00 0.00 178.83 177.84 1bx2 h GLY 58 N 0.85 1.35 0.57 2.39 0.00 -1.68 -1.75 103.07 104.80 1bx2 h GLY 58 Ca 0.42 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1bx2 h GLY 58 CO -0.18 0.26 -0.13 0.00 0.00 0.00 0.00 176.54 176.50 1bx2 h ALA 59 N 1.52 -0.35 -1.00 3.60 0.00 -1.51 -1.38 119.26 120.14 1bx2 h ALA 59 Ca 0.41 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 55.34 1bx2 h ALA 59 Cb 0.28 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 1bx2 h ALA 59 CO -0.17 -0.48 0.62 -0.07 0.00 0.00 0.00 179.25 179.15 1bx2 h LEU 60 N -0.78 0.65 0.03 0.00 3.38 -1.29 -0.46 115.31 116.84 1bx2 h LEU 60 Ca -0.04 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1bx2 h LEU 60 Cb 0.51 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1bx2 h LEU 60 CO 0.06 0.20 -0.01 0.00 0.09 0.00 0.00 178.44 178.78 1bx2 h ALA 61 N 1.65 -0.04 -0.09 1.53 0.00 -1.28 -2.93 119.26 118.11 1bx2 h ALA 61 Ca 0.57 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1bx2 h ALA 61 Cb 1.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1bx2 h ALA 61 CO -0.35 -0.30 0.14 -0.91 0.00 0.00 0.00 179.25 177.83 1bx2 h ASN 62 N -0.48 0.00 0.12 0.00 4.21 -0.03 -1.43 115.58 117.97 1bx2 h ASN 62 Ca -0.00 0.00 -0.29 0.00 1.21 0.00 0.00 56.30 57.21 1bx2 h ASN 62 Cb 0.45 0.00 0.03 0.00 -1.12 0.00 0.00 38.32 37.68 1bx2 h ASN 62 CO 0.01 0.00 -1.22 0.40 -1.29 0.00 0.00 177.43 175.33 1bx2 h ILE 63 N 0.00 1.29 -0.62 2.81 1.08 -1.02 -3.14 117.51 117.92 1bx2 h ILE 63 Ca 0.04 -2.45 0.01 0.00 -0.39 0.00 0.00 64.86 62.07 1bx2 h ILE 63 Cb 0.32 2.71 -0.03 0.00 -3.07 0.00 0.00 36.82 36.74 1bx2 h ILE 63 CO -0.00 0.74 0.40 0.00 -0.69 0.00 0.00 178.15 178.61 1bx2 h ALA 64 N 0.28 0.78 -0.09 1.87 0.00 -1.09 0.33 119.26 121.34 1bx2 h ALA 64 Ca -0.19 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1bx2 h ALA 64 Cb 1.90 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1bx2 h ALA 64 CO 0.23 0.22 0.08 0.28 0.00 0.00 0.00 179.25 180.06 1bx2 h VAL 65 N 0.83 0.78 -0.03 0.00 2.07 -1.58 -1.71 116.25 116.61 1bx2 h VAL 65 Ca 0.22 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.59 1bx2 h VAL 65 Cb -0.09 0.94 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1bx2 h VAL 65 CO -0.05 0.00 -0.57 0.44 0.02 0.00 0.00 177.57 177.41 1bx2 h ASP 66 N 0.00 0.56 -0.89 0.57 3.32 -0.95 -2.08 116.42 116.95 1bx2 h ASP 66 Ca 0.04 -0.72 0.08 0.00 0.02 0.00 0.00 57.03 56.46 1bx2 h ASP 66 Cb 0.20 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 1bx2 h ASP 66 CO -0.00 1.20 0.57 0.50 -1.72 0.00 0.00 179.24 179.79 1bx2 h LYS 67 N -0.03 0.91 -0.28 3.56 3.64 -0.25 -0.65 116.57 123.47 1bx2 h LYS 67 Ca -0.06 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 1bx2 h LYS 67 Cb 1.26 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1bx2 h LYS 67 CO 0.11 0.60 -0.40 0.00 -2.27 0.00 0.00 179.45 177.49 1bx2 h ALA 68 N 1.54 0.43 0.00 5.00 0.00 -1.34 -2.91 119.26 121.98 1bx2 h ALA 68 Ca 0.40 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bx2 h ALA 68 Cb 0.31 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1bx2 h ALA 68 CO -0.16 0.53 -0.07 -0.91 0.00 0.00 0.00 179.25 178.65 1bx2 h ASN 69 N 0.52 0.00 0.00 0.00 2.35 -0.86 -2.93 115.58 114.65 1bx2 h ASN 69 Ca 0.03 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.54 1bx2 h ASN 69 Cb 1.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.39 1bx2 h ASN 69 CO 0.09 0.07 -0.92 0.25 -1.65 0.00 0.00 177.43 175.27 1bx2 h LEU 70 N 0.00 0.81 -1.87 1.61 5.85 -1.10 -1.31 115.31 119.29 1bx2 h LEU 70 Ca -0.00 -0.75 -0.03 0.00 0.84 0.00 0.00 57.88 57.95 1bx2 h LEU 70 Cb 0.80 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1bx2 h LEU 70 CO 0.01 1.45 -0.13 -0.33 -0.34 0.00 0.00 178.44 179.10 1bx2 h GLU 71 N 0.25 0.00 0.04 1.25 5.08 -1.40 0.17 114.58 119.97 1bx2 h GLU 71 Ca -0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1bx2 h GLU 71 Cb 1.59 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.85 1bx2 h GLU 71 CO 0.18 0.13 -0.21 0.82 -1.00 0.00 0.00 179.01 178.93 1bx2 h ILE 72 N 0.00 1.72 -0.06 3.13 2.04 -1.44 -3.15 117.51 119.75 1bx2 h ILE 72 Ca -0.00 -2.40 -0.07 0.00 1.00 0.00 0.00 64.86 63.39 1bx2 h ILE 72 Cb 0.29 3.35 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 1bx2 h ILE 72 CO 0.02 0.64 -0.30 0.24 0.00 0.00 0.00 178.15 178.75 1bx2 h MET 73 N -0.83 0.10 0.90 2.37 2.86 -0.97 -0.15 114.93 119.21 1bx2 h MET 73 Ca -0.04 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1bx2 h MET 73 Cb 1.17 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.83 1bx2 h MET 73 CO 0.04 0.39 -0.43 1.15 1.06 0.00 0.00 176.91 179.12 1bx2 h THR 74 N 0.09 0.04 -0.52 2.22 2.02 -0.76 0.23 112.91 116.22 1bx2 h THR 74 Ca 0.01 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.18 1bx2 h THR 74 Cb 0.58 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 1bx2 h THR 74 CO 0.04 0.00 0.18 0.11 0.37 0.00 0.00 175.52 176.22 1bx2 h LYS 75 N -1.30 0.34 0.00 6.66 1.57 -1.49 0.08 116.57 122.44 1bx2 h LYS 75 Ca -0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1bx2 h LYS 75 Cb 0.93 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1bx2 h LYS 75 CO 0.20 0.23 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.14 1bx2 h ARG 76 N 0.35 0.00 0.00 3.15 2.43 -0.88 0.18 114.38 119.61 1bx2 h ARG 76 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1bx2 h ARG 76 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1bx2 h ARG 76 CO -0.26 0.08 0.00 -1.13 -1.51 0.00 0.00 179.97 177.15 1bx2 n SER 77 N -4.42 0.38 0.00 -3.80 3.41 0.79 -4.87 113.62 105.12 1bx2 n SER 77 Ca -0.03 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.12 1bx2 n SER 77 Cb 0.16 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 1bx2 n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1bx2 n ASN 78 N -1.86 -2.19 -0.69 4.04 4.05 0.63 -3.90 115.26 115.35 1bx2 n ASN 78 Ca 0.06 0.00 -0.06 0.00 0.45 0.00 0.00 54.58 55.04 1bx2 n ASN 78 Cb 0.37 -0.44 -0.00 0.00 1.23 0.00 0.00 39.78 40.94 1bx2 n ASN 78 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1bx2 n TYR 79 N -3.07 -0.31 -2.74 1.20 4.02 -0.14 -4.99 117.16 111.13 1bx2 n TYR 79 Ca 0.00 0.02 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 1bx2 n TYR 79 Cb 0.11 -1.80 -0.03 0.00 -0.02 0.00 0.00 39.34 37.60 1bx2 n TYR 79 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1bx2 s THR 80 N -2.35 4.88 0.68 -0.72 -4.23 -1.25 -5.03 115.64 107.62 1bx2 s THR 80 Ca 0.01 2.01 -0.00 0.00 -1.18 0.00 0.00 61.69 62.53 1bx2 s THR 80 Cb -0.01 -4.30 0.10 0.00 1.34 0.00 0.00 72.50 69.64 1bx2 s THR 80 CO 0.02 0.16 0.94 -2.16 -0.54 0.00 0.00 174.62 173.04 1bx2 s PRO 81 N 1.07 1.90 0.33 3.99 0.04 -1.26 -5.02 135.00 136.04 1bx2 s PRO 81 Ca 0.50 -1.03 -0.21 0.00 0.04 0.00 0.00 61.00 60.30 1bx2 s PRO 81 Cb -0.21 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 1bx2 s PRO 81 CO 0.26 -1.27 0.86 -1.50 0.04 0.00 0.00 177.00 175.40 1bx2 s ILE 82 N -3.05 4.43 -0.25 0.56 2.07 -1.26 -5.03 121.20 118.67 1bx2 s ILE 82 Ca 0.64 1.45 -0.13 0.00 -1.41 0.00 0.00 60.65 61.20 1bx2 s ILE 82 Cb -0.07 -3.79 -0.04 0.00 0.13 0.00 0.00 42.46 38.69 1bx2 s ILE 82 CO 0.43 -0.03 0.29 0.42 -1.91 0.00 0.00 174.94 174.14 1bx2 s THR 83 N -1.82 5.25 0.30 4.00 -4.23 -1.26 -5.03 115.64 112.85 1bx2 s THR 83 Ca 0.53 0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 61.19 1bx2 s THR 83 Cb -0.14 -3.63 -0.13 0.00 1.34 0.00 0.00 72.50 69.94 1bx2 s THR 83 CO 0.19 0.24 1.28 0.59 -0.54 0.00 0.00 174.62 176.38 1bx2 n ASN 84 N 4.80 2.54 -3.89 3.99 3.02 -1.26 -4.79 115.26 119.67 1bx2 n ASN 84 Ca -0.11 1.19 -0.29 0.00 -0.03 0.00 0.00 54.58 55.34 1bx2 n ASN 84 Cb 0.51 -1.44 -0.16 0.00 -0.61 0.00 0.00 39.78 38.08 1bx2 n ASN 84 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1bx2 s VAL 85 N -0.79 1.17 0.53 2.41 1.01 0.70 -4.85 120.40 120.58 1bx2 s VAL 85 Ca 0.60 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 61.56 1bx2 s VAL 85 Cb -0.61 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1bx2 s VAL 85 CO 0.58 0.01 1.19 -2.16 0.00 0.00 0.00 175.10 174.73 1bx2 s PRO 86 N 1.58 3.33 0.69 2.72 0.04 -1.26 -1.55 135.00 140.56 1bx2 s PRO 86 Ca -0.02 1.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.71 1bx2 s PRO 86 Cb -0.17 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.25 1bx2 s PRO 86 CO -0.07 -0.91 1.06 -1.25 0.04 0.00 0.00 177.00 175.87 1bx2 s PRO 87 N -3.07 2.92 -0.65 0.56 0.04 -1.26 -4.52 135.00 129.02 1bx2 s PRO 87 Ca 0.71 1.02 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1bx2 s PRO 87 Cb -0.29 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.43 1bx2 s PRO 87 CO 0.34 -1.12 0.46 -2.00 0.04 0.00 0.00 177.00 174.72 1bx2 s GLU 88 N -4.87 2.56 0.52 4.56 2.12 0.83 -4.90 118.70 119.51 1bx2 s GLU 88 Ca 0.59 -2.69 -0.17 0.00 0.36 0.00 0.00 54.97 53.06 1bx2 s GLU 88 Cb -0.15 -3.68 -0.07 0.00 0.26 0.00 0.00 34.13 30.49 1bx2 s GLU 88 CO 0.52 -1.18 1.00 0.08 -0.54 0.00 0.00 175.26 175.14 1bx2 s VAL 89 N -0.35 4.25 -0.29 3.70 1.01 -1.26 -1.90 120.40 125.56 1bx2 s VAL 89 Ca 0.19 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 63.17 1bx2 s VAL 89 Cb -0.19 -3.59 0.12 0.00 0.00 0.00 0.00 36.38 32.73 1bx2 s VAL 89 CO -0.04 -0.54 0.83 0.28 0.00 0.00 0.00 175.10 175.63 1bx2 s THR 90 N -2.45 -0.17 -0.17 3.92 -1.32 -0.42 -4.98 115.64 110.05 1bx2 s THR 90 Ca 0.61 0.00 -0.07 0.00 -1.21 0.00 0.00 61.69 61.02 1bx2 s THR 90 Cb -0.12 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 1bx2 s THR 90 CO 0.29 0.00 0.08 -0.69 -2.21 0.00 0.00 174.62 172.08 1bx2 s VAL 91 N 1.76 4.93 0.40 5.08 1.01 -1.26 -0.37 120.40 131.95 1bx2 s VAL 91 Ca -0.08 0.01 0.04 0.00 0.00 0.00 0.00 61.98 61.95 1bx2 s VAL 91 Cb -0.05 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1bx2 s VAL 91 CO -0.18 0.49 0.16 -0.22 0.00 0.00 0.00 175.10 175.35 1bx2 s LEU 92 N 0.10 1.95 -0.05 3.92 2.96 0.13 -4.98 118.68 122.70 1bx2 s LEU 92 Ca 0.06 -1.71 0.04 0.00 -0.22 0.00 0.00 54.13 52.31 1bx2 s LEU 92 Cb -0.12 0.01 -0.00 0.00 0.50 0.00 0.00 46.19 46.58 1bx2 s LEU 92 CO 0.00 -0.97 -0.19 0.28 -1.32 0.00 0.00 176.35 174.16 1bx2 s THR 93 N -3.24 1.57 0.00 3.68 -1.32 -1.26 -0.55 115.64 114.52 1bx2 s THR 93 Ca 0.26 -0.78 0.00 0.00 -1.21 0.00 0.00 61.69 59.96 1bx2 s THR 93 Cb 0.02 -1.35 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 1bx2 s THR 93 CO 0.17 0.45 0.62 -3.20 -2.21 0.00 0.00 174.62 170.44 1bx2 n ASN 94 N 3.23 0.00 -4.84 8.08 5.15 -0.27 -4.78 115.26 121.82 1bx2 n ASN 94 Ca -0.19 0.62 -0.21 0.00 -0.60 0.00 0.00 54.58 54.20 1bx2 n ASN 94 Cb 0.53 -0.12 -0.04 0.00 -0.53 0.00 0.00 39.78 39.62 1bx2 n ASN 94 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1bx2 s SER 95 N -2.57 5.27 0.80 1.20 1.04 -1.26 -5.07 113.70 113.10 1bx2 s SER 95 Ca 0.00 -0.49 -0.15 0.00 0.48 0.00 0.00 55.95 55.79 1bx2 s SER 95 Cb 0.00 -0.99 0.01 0.00 0.10 0.00 0.00 66.02 65.13 1bx2 s SER 95 CO 0.00 -0.32 0.67 -2.65 0.98 0.00 0.00 173.24 171.92 1bx2 n PRO 96 N -1.34 0.15 -3.32 4.02 -0.02 -1.26 -4.92 135.00 128.31 1bx2 n PRO 96 Ca -0.02 0.10 -0.38 0.00 -2.02 0.00 0.00 63.50 61.18 1bx2 n PRO 96 Cb 0.60 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 1bx2 n PRO 96 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1bx2 s VAL 97 N -2.06 5.05 -0.10 -1.45 1.01 -1.26 -5.05 120.40 116.54 1bx2 s VAL 97 Ca 0.66 1.03 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 1bx2 s VAL 97 Cb -0.30 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.27 1bx2 s VAL 97 CO 0.58 0.42 -0.05 -1.61 0.00 0.00 0.00 175.10 174.44 1bx2 s GLU 98 N -0.05 1.18 0.22 2.72 2.02 -1.26 -5.11 118.70 118.41 1bx2 s GLU 98 Ca 0.27 -0.12 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 1bx2 s GLU 98 Cb -0.17 -1.35 -0.16 0.00 0.10 0.00 0.00 34.13 32.56 1bx2 s GLU 98 CO 0.13 -0.27 0.95 1.28 0.02 0.00 0.00 175.26 177.37 1bx2 n LEU 99 N 4.97 0.91 0.00 1.80 4.77 -1.26 -1.73 117.00 126.46 1bx2 n LEU 99 Ca -0.11 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 1bx2 n LEU 99 Cb 0.50 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.42 1bx2 n LEU 99 CO 0.15 -1.76 0.00 0.54 -1.33 0.00 0.00 177.39 174.99 1bx2 n ARG 100 N 1.17 -1.45 -4.35 3.23 5.12 -0.13 -4.96 116.66 115.29 1bx2 n ARG 100 Ca 0.14 0.36 -0.34 0.00 -1.93 0.00 0.00 57.85 56.08 1bx2 n ARG 100 Cb 0.27 -4.78 -0.13 0.00 -1.16 0.00 0.00 32.46 26.66 1bx2 n ARG 100 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1bx2 s GLU 101 N -1.67 3.54 0.35 5.56 0.41 -0.71 -4.90 118.70 121.28 1bx2 s GLU 101 Ca 0.00 -0.58 -0.23 0.00 -0.41 0.00 0.00 54.97 53.75 1bx2 s GLU 101 Cb 0.00 -2.89 -0.15 0.00 -1.78 0.00 0.00 34.13 29.31 1bx2 s GLU 101 CO 0.00 0.12 0.34 -2.30 -0.49 0.00 0.00 175.26 172.93 1bx2 n PRO 102 N 3.88 0.19 -0.25 0.39 -0.02 -1.26 -4.29 135.00 133.64 1bx2 n PRO 102 Ca -0.18 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1bx2 n PRO 102 Cb 0.52 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 1bx2 n PRO 102 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1bx2 n ASN 103 N 1.96 0.00 -3.67 2.55 2.85 -0.83 -4.97 115.26 113.16 1bx2 n ASN 103 Ca 0.13 -0.20 -0.09 0.00 -0.11 0.00 0.00 54.58 54.31 1bx2 n ASN 103 Cb 0.36 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.29 1bx2 n ASN 103 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1bx2 s VAL 104 N -2.57 -0.01 -0.18 3.44 1.01 -1.26 -2.87 120.40 117.96 1bx2 s VAL 104 Ca 0.00 0.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1bx2 s VAL 104 Cb 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1bx2 s VAL 104 CO 0.00 0.02 0.49 -0.76 0.00 0.00 0.00 175.10 174.85 1bx2 s LEU 105 N 1.45 4.18 -0.14 3.92 1.43 0.15 -1.11 118.68 128.57 1bx2 s LEU 105 Ca -0.09 0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 53.65 1bx2 s LEU 105 Cb -0.06 -2.68 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 1bx2 s LEU 105 CO -0.16 -0.13 0.01 -0.63 0.23 0.00 0.00 176.35 175.67 1bx2 s ILE 106 N 1.36 4.31 -0.30 -0.59 1.01 0.29 -1.33 121.20 125.95 1bx2 s ILE 106 Ca 0.24 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.63 1bx2 s ILE 106 Cb -0.15 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.48 1bx2 s ILE 106 CO 0.10 0.53 0.02 0.00 0.00 0.00 0.00 174.94 175.59 1bx2 s PHE 108 N 1.32 3.22 -0.37 0.00 5.36 0.50 -1.53 117.98 126.48 1bx2 s PHE 108 Ca -0.03 -0.33 -0.11 0.00 -0.96 0.00 0.00 56.93 55.49 1bx2 s PHE 108 Cb -0.19 -2.62 0.03 0.00 -0.34 0.00 0.00 43.02 39.90 1bx2 s PHE 108 CO -0.00 -0.51 0.21 0.42 -1.46 0.00 0.00 175.22 173.88 1bx2 s ILE 109 N 1.83 4.63 0.30 3.12 1.01 -0.52 -1.29 121.20 130.27 1bx2 s ILE 109 Ca 0.08 -0.82 0.11 0.00 0.00 0.00 0.00 60.65 60.01 1bx2 s ILE 109 Cb -0.18 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1bx2 s ILE 109 CO 0.11 -0.23 -0.14 -0.62 0.00 0.00 0.00 174.94 174.06 1bx2 s ASP 110 N 1.57 3.74 -0.91 3.58 2.15 -0.80 -1.59 116.67 124.40 1bx2 s ASP 110 Ca 0.02 -1.05 -0.08 0.00 0.43 0.00 0.00 52.55 51.88 1bx2 s ASP 110 Cb -0.19 -0.37 0.01 0.00 -0.30 0.00 0.00 42.92 42.07 1bx2 s ASP 110 CO 0.07 -0.05 0.63 0.29 -0.17 0.00 0.00 175.17 175.94 1bx2 n LYS 111 N -0.71 -1.26 -4.15 4.34 5.02 -0.86 -0.12 118.16 120.43 1bx2 n LYS 111 Ca -0.05 0.65 -0.10 0.00 -2.02 0.00 0.00 58.31 56.79 1bx2 n LYS 111 Cb 0.61 -2.61 -0.10 0.00 -0.02 0.00 0.00 35.03 32.91 1bx2 n LYS 111 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1bx2 s PHE 112 N -3.12 0.90 -0.21 2.13 -0.71 -1.16 -4.37 117.98 111.45 1bx2 s PHE 112 Ca 0.12 -1.23 -0.29 0.00 -1.04 0.00 0.00 56.93 54.49 1bx2 s PHE 112 Cb -0.06 -0.46 0.14 0.00 -1.21 0.00 0.00 43.02 41.43 1bx2 s PHE 112 CO 0.90 -0.57 1.11 -0.08 -1.34 0.00 0.00 175.22 175.23 1bx2 s THR 113 N -4.07 0.00 0.85 -4.49 -1.32 -0.59 -0.54 115.64 105.47 1bx2 s THR 113 Ca 0.28 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.64 1bx2 s THR 113 Cb 0.07 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.16 1bx2 s THR 113 CO 0.04 0.00 1.12 -2.16 -2.21 0.00 0.00 174.62 171.42 1bx2 s PRO 114 N -0.82 1.64 -0.64 7.08 0.04 -1.26 -0.22 135.00 140.81 1bx2 s PRO 114 Ca 0.02 0.44 -0.14 0.00 0.04 0.00 0.00 61.00 61.36 1bx2 s PRO 114 Cb -0.01 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.52 1bx2 s PRO 114 CO -0.03 -1.89 1.84 -0.35 0.04 0.00 0.00 177.00 176.61 1bx2 n PRO 115 N -3.58 1.37 -3.68 0.56 -0.04 -1.26 -4.73 135.00 123.65 1bx2 n PRO 115 Ca 0.07 -1.43 -0.14 0.00 -0.04 0.00 0.00 63.50 61.95 1bx2 n PRO 115 Cb 0.58 -2.57 -0.14 0.00 -0.04 0.00 0.00 33.50 31.32 1bx2 n PRO 115 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bx2 s VAL 116 N 4.61 -0.31 -0.15 0.52 1.01 -1.26 -5.08 120.40 119.73 1bx2 s VAL 116 Ca 0.44 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.48 1bx2 s VAL 116 Cb 0.11 -0.38 0.06 0.00 0.00 0.00 0.00 36.38 36.17 1bx2 s VAL 116 CO 0.07 0.12 0.58 0.54 0.00 0.00 0.00 175.10 176.41 1bx2 s VAL 117 N 2.20 0.01 -0.18 2.92 0.11 -1.26 -4.64 120.40 119.55 1bx2 s VAL 117 Ca 0.00 -0.06 -0.04 0.00 -2.93 0.00 0.00 61.98 58.95 1bx2 s VAL 117 Cb -0.12 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1bx2 s VAL 117 CO -0.07 -0.03 -0.03 0.20 -3.33 0.00 0.00 175.10 171.83 1bx2 s ASN 118 N -0.29 4.69 -0.05 3.54 0.01 -0.69 -4.97 114.94 117.18 1bx2 s ASN 118 Ca -0.05 -0.21 0.03 0.00 -0.71 0.00 0.00 52.86 51.92 1bx2 s ASN 118 Cb -0.03 -1.78 0.01 0.00 0.41 0.00 0.00 41.25 39.85 1bx2 s ASN 118 CO 0.04 0.10 -0.13 -0.69 -1.51 0.00 0.00 177.10 174.91 1bx2 s VAL 119 N 0.77 1.11 -0.02 1.60 1.01 -1.26 -0.94 120.40 122.67 1bx2 s VAL 119 Ca -0.01 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1bx2 s VAL 119 Cb -0.14 -0.99 -0.00 0.00 0.00 0.00 0.00 36.38 35.24 1bx2 s VAL 119 CO 0.02 0.34 -0.10 -0.89 0.00 0.00 0.00 175.10 174.47 1bx2 s THR 120 N 0.39 0.88 -0.07 3.92 2.01 -0.60 -4.97 115.64 117.20 1bx2 s THR 120 Ca -0.09 -0.43 -0.15 0.00 0.31 0.00 0.00 61.69 61.33 1bx2 s THR 120 Cb -0.13 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 1bx2 s THR 120 CO 0.02 0.27 0.39 0.26 -0.69 0.00 0.00 174.62 174.87 1bx2 s TRP 121 N 0.07 3.60 -0.11 4.92 0.52 -1.26 -0.19 118.94 126.49 1bx2 s TRP 121 Ca -0.01 0.85 0.01 0.00 0.02 0.00 0.00 56.10 56.97 1bx2 s TRP 121 Cb -0.08 -2.35 0.02 0.00 -1.15 0.00 0.00 33.47 29.91 1bx2 s TRP 121 CO 0.00 0.43 -0.14 -0.51 0.02 0.00 0.00 176.95 176.76 1bx2 s LEU 122 N -0.28 1.63 -0.32 2.99 1.43 0.12 -1.57 118.68 122.69 1bx2 s LEU 122 Ca 0.22 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1bx2 s LEU 122 Cb -0.15 -1.03 0.06 0.00 0.03 0.00 0.00 46.19 45.10 1bx2 s LEU 122 CO 0.10 -0.01 0.03 -0.60 0.23 0.00 0.00 176.35 176.10 1bx2 s ARG 123 N 1.10 2.28 -1.42 1.70 3.52 0.18 -0.56 118.95 125.75 1bx2 s ARG 123 Ca -0.05 -1.40 -0.02 0.00 -0.13 0.00 0.00 55.73 54.13 1bx2 s ARG 123 Cb -0.14 -3.23 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1bx2 s ARG 123 CO -0.03 -0.71 0.32 0.09 -0.81 0.00 0.00 175.30 174.16 1bx2 n ASN 124 N 4.58 -5.41 0.00 -2.12 3.02 -0.57 -1.82 115.26 112.94 1bx2 n ASN 124 Ca -0.10 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1bx2 n ASN 124 Cb 0.43 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 1bx2 n ASN 124 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bx2 n GLY 125 N -1.27 2.42 3.85 7.41 0.00 -1.26 -5.04 105.19 111.30 1bx2 n GLY 125 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 1bx2 n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bx2 s LYS 126 N -0.54 3.59 0.92 1.61 1.02 -0.76 -5.00 119.74 120.58 1bx2 s LYS 126 Ca 0.00 -0.11 -0.11 0.00 0.02 0.00 0.00 55.97 55.77 1bx2 s LYS 126 Cb 0.00 -3.23 0.15 0.00 -0.52 0.00 0.00 37.83 34.23 1bx2 s LYS 126 CO 0.00 0.69 1.12 -2.14 -0.92 0.00 0.00 175.35 174.10 1bx2 s PRO 127 N -0.80 0.98 -0.03 -1.68 0.02 -1.26 0.49 135.00 132.72 1bx2 s PRO 127 Ca 0.14 1.34 -0.05 0.00 0.02 0.00 0.00 61.00 62.45 1bx2 s PRO 127 Cb -0.12 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.67 1bx2 s PRO 127 CO 0.04 -2.59 0.13 0.08 -0.33 0.00 0.00 177.00 174.33 1bx2 s VAL 128 N -2.69 0.03 0.00 3.83 1.01 -0.61 -4.70 120.40 117.27 1bx2 s VAL 128 Ca 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1bx2 s VAL 128 Cb -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1bx2 s VAL 128 CO 0.58 -0.13 0.00 0.41 0.00 0.00 0.00 175.10 175.97 1bx2 n THR 129 N 2.51 0.00 -1.48 3.92 -1.04 -1.26 -4.48 114.28 112.44 1bx2 n THR 129 Ca -0.16 -0.08 -0.44 0.00 -2.04 0.00 0.00 64.05 61.33 1bx2 n THR 129 Cb 0.58 0.51 -0.08 0.00 -1.82 0.00 0.00 70.33 69.52 1bx2 n THR 129 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1bx2 n THR 130 N -0.57 0.07 -0.81 12.58 -2.24 -1.26 -2.01 114.28 120.04 1bx2 n THR 130 Ca 0.00 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1bx2 n THR 130 Cb 0.00 -1.69 0.00 0.00 -2.10 0.00 0.00 70.33 66.54 1bx2 n THR 130 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bx2 n GLY 131 N 6.40 0.25 3.72 3.38 0.00 -1.26 -4.59 105.19 113.08 1bx2 n GLY 131 Ca 0.46 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 1bx2 n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bx2 s VAL 132 N -1.67 2.00 0.23 1.61 -7.23 -0.85 -4.52 120.40 109.97 1bx2 s VAL 132 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.06 1bx2 s VAL 132 Cb 0.00 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1bx2 s VAL 132 CO 0.00 -0.00 0.41 -0.94 -0.31 0.00 0.00 175.10 174.26 1bx2 s SER 133 N -1.66 -0.05 0.24 4.85 1.04 -0.06 -5.00 113.70 113.07 1bx2 s SER 133 Ca 0.79 -0.97 -0.14 0.00 0.48 0.00 0.00 55.95 56.12 1bx2 s SER 133 Cb -0.35 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 1bx2 s SER 133 CO 0.44 -1.07 0.49 -1.83 0.98 0.00 0.00 173.24 172.25 1bx2 s GLU 134 N -4.03 1.53 0.35 4.02 -1.05 -1.26 -0.41 118.70 117.86 1bx2 s GLU 134 Ca 0.24 -1.20 0.08 0.00 -0.15 0.00 0.00 54.97 53.94 1bx2 s GLU 134 Cb 0.01 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.13 1bx2 s GLU 134 CO 0.08 -0.64 0.07 0.95 0.95 0.00 0.00 175.26 176.67 1bx2 s THR 135 N -4.00 2.65 0.87 1.83 -4.23 -0.75 -5.00 115.64 107.02 1bx2 s THR 135 Ca 0.20 -1.86 -0.15 0.00 -1.18 0.00 0.00 61.69 58.71 1bx2 s THR 135 Cb -0.01 -2.88 0.21 0.00 1.34 0.00 0.00 72.50 71.16 1bx2 s THR 135 CO 0.08 -0.16 1.03 1.33 -0.54 0.00 0.00 174.62 176.36 1bx2 n VAL 136 N -1.05 0.00 -2.55 2.29 0.24 -1.26 -4.63 118.33 111.38 1bx2 n VAL 136 Ca -0.03 -0.66 -0.43 0.00 -2.04 0.00 0.00 64.34 61.17 1bx2 n VAL 136 Cb 0.63 -1.46 -0.02 0.00 -1.47 0.00 0.00 33.84 31.51 1bx2 n VAL 136 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1bx2 s PHE 137 N -3.13 2.83 0.23 6.34 0.40 -1.26 -4.70 117.98 118.69 1bx2 s PHE 137 Ca 0.61 0.87 -0.18 0.00 -0.60 0.00 0.00 56.93 57.63 1bx2 s PHE 137 Cb -0.03 -4.12 -0.08 0.00 0.51 0.00 0.00 43.02 39.30 1bx2 s PHE 137 CO 0.44 -1.31 0.70 -0.51 0.70 0.00 0.00 175.22 175.24 1bx2 s LEU 138 N 4.35 4.28 0.72 -0.37 1.43 -0.15 -4.88 118.68 124.06 1bx2 s LEU 138 Ca 0.51 1.34 -0.09 0.00 -1.03 0.00 0.00 54.13 54.86 1bx2 s LEU 138 Cb -0.11 -3.64 0.05 0.00 0.03 0.00 0.00 46.19 42.52 1bx2 s LEU 138 CO 0.26 -0.01 1.06 -2.16 0.23 0.00 0.00 176.35 175.73 1bx2 s PRO 139 N -2.18 2.29 0.11 1.29 0.04 -1.26 -0.72 135.00 134.57 1bx2 s PRO 139 Ca 0.45 -0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.46 1bx2 s PRO 139 Cb -0.15 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1bx2 s PRO 139 CO 0.20 -1.25 -0.04 1.03 0.04 0.00 0.00 177.00 176.98 1bx2 s ARG 140 N -5.32 0.88 0.23 4.56 0.52 -0.89 -4.73 118.95 114.20 1bx2 s ARG 140 Ca 0.60 -1.38 -0.07 0.00 -0.52 0.00 0.00 55.73 54.36 1bx2 s ARG 140 Cb -0.11 -0.15 0.32 0.00 0.52 0.00 0.00 34.95 35.52 1bx2 s ARG 140 CO 0.47 -0.07 1.82 1.49 0.02 0.00 0.00 175.30 179.03 1bx2 h GLU 141 N 2.91 0.76 -0.84 3.54 4.22 -2.00 -2.67 114.58 120.50 1bx2 h GLU 141 Ca -0.35 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.04 1bx2 h GLU 141 Cb 1.17 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1bx2 h GLU 141 CO 0.64 0.50 0.00 -0.40 -2.18 0.00 0.00 179.01 177.57 1bx2 n ASP 142 N -4.74 1.01 -0.46 1.04 5.68 -1.26 -4.77 116.55 113.06 1bx2 n ASP 142 Ca 0.11 -1.51 -0.06 0.00 -0.50 0.00 0.00 54.79 52.83 1bx2 n ASP 142 Cb 0.21 -0.38 -0.03 0.00 -1.14 0.00 0.00 41.12 39.79 1bx2 n ASP 142 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1bx2 n HIS 143 N 0.20 0.00 -3.01 2.11 8.25 -1.01 -4.99 115.22 116.78 1bx2 n HIS 143 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1bx2 n HIS 143 Cb 0.22 -1.84 0.04 0.00 1.12 0.00 0.00 29.99 29.53 1bx2 n HIS 143 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bx2 n LEU 144 N -0.68 0.00 -4.50 2.41 4.77 -1.26 -4.92 117.00 112.82 1bx2 n LEU 144 Ca -0.06 -1.55 -0.24 0.00 -0.03 0.00 0.00 56.01 54.13 1bx2 n LEU 144 Cb 0.39 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 1bx2 n LEU 144 CO 0.09 -0.64 -0.36 -0.36 -1.33 0.00 0.00 177.39 174.79 1bx2 s PHE 145 N -1.26 2.20 0.05 -1.77 0.40 0.29 -2.10 117.98 115.80 1bx2 s PHE 145 Ca 0.38 -0.63 0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1bx2 s PHE 145 Cb -0.03 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 1bx2 s PHE 145 CO 0.24 0.41 -0.05 0.50 0.70 0.00 0.00 175.22 177.01 1bx2 s ARG 146 N -3.69 0.54 -0.13 0.44 3.52 0.10 -2.03 118.95 117.70 1bx2 s ARG 146 Ca 0.32 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.72 1bx2 s ARG 146 Cb 0.04 -0.08 0.09 0.00 -1.56 0.00 0.00 34.95 33.45 1bx2 s ARG 146 CO 0.15 -0.02 0.81 0.21 -0.81 0.00 0.00 175.30 175.64 1bx2 s LYS 147 N -2.34 0.85 0.04 5.12 2.20 -0.62 -0.98 119.74 123.99 1bx2 s LYS 147 Ca -0.05 0.33 0.06 0.00 -0.36 0.00 0.00 55.97 55.95 1bx2 s LYS 147 Cb -0.04 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.66 1bx2 s LYS 147 CO -0.03 -0.24 -0.18 -0.06 -0.36 0.00 0.00 175.35 174.48 1bx2 s PHE 148 N -0.89 1.58 -0.06 4.03 0.40 -1.26 -1.44 117.98 120.35 1bx2 s PHE 148 Ca -0.06 -0.36 0.03 0.00 -0.60 0.00 0.00 56.93 55.94 1bx2 s PHE 148 Cb -0.01 -0.95 0.01 0.00 0.51 0.00 0.00 43.02 42.58 1bx2 s PHE 148 CO 0.05 0.06 -0.13 -1.01 0.70 0.00 0.00 175.22 174.89 1bx2 s HIS 149 N -0.76 1.43 -0.03 0.36 3.76 -0.58 -1.81 115.29 117.66 1bx2 s HIS 149 Ca 0.05 -0.49 0.06 0.00 -0.15 0.00 0.00 55.06 54.53 1bx2 s HIS 149 Cb -0.08 -1.04 -0.02 0.00 1.11 0.00 0.00 32.58 32.55 1bx2 s HIS 149 CO 0.01 -0.24 -0.20 0.71 -0.85 0.00 0.00 174.74 174.18 1bx2 s TYR 150 N 0.51 2.53 -0.19 1.40 2.02 0.45 -0.40 117.35 123.68 1bx2 s TYR 150 Ca -0.12 -0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 1bx2 s TYR 150 Cb -0.14 -1.56 0.06 0.00 -0.40 0.00 0.00 41.96 39.92 1bx2 s TYR 150 CO 0.03 0.10 0.06 -1.17 -1.57 0.00 0.00 175.55 173.00 1bx2 s LEU 151 N -0.74 0.80 0.23 -1.29 2.96 -0.44 -0.88 118.68 119.31 1bx2 s LEU 151 Ca 0.11 -0.75 -0.30 0.00 -0.22 0.00 0.00 54.13 52.98 1bx2 s LEU 151 Cb -0.10 -0.43 -0.09 0.00 0.50 0.00 0.00 46.19 46.07 1bx2 s LEU 151 CO 0.00 -0.33 1.21 -2.16 -1.32 0.00 0.00 176.35 173.76 1bx2 s PRO 152 N 1.99 4.48 0.26 0.98 0.04 -1.26 -0.67 135.00 140.82 1bx2 s PRO 152 Ca 0.01 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.87 1bx2 s PRO 152 Cb -0.17 -3.20 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 1bx2 s PRO 152 CO -0.09 -0.07 0.49 -0.59 0.04 0.00 0.00 177.00 176.78 1bx2 s PHE 153 N -0.40 0.43 -0.34 0.56 -0.71 -1.14 -4.93 117.98 111.45 1bx2 s PHE 153 Ca 0.51 -0.79 -0.01 0.00 -1.04 0.00 0.00 56.93 55.60 1bx2 s PHE 153 Cb -0.34 0.19 0.08 0.00 -1.21 0.00 0.00 43.02 41.74 1bx2 s PHE 153 CO 0.40 -1.04 0.07 -1.17 -1.34 0.00 0.00 175.22 172.14 1bx2 s LEU 154 N -3.05 4.47 0.32 -1.99 2.96 -1.26 -1.96 118.68 118.18 1bx2 s LEU 154 Ca 0.23 -1.70 -0.26 0.00 -0.22 0.00 0.00 54.13 52.19 1bx2 s LEU 154 Cb -0.01 -1.72 -0.14 0.00 0.50 0.00 0.00 46.19 44.82 1bx2 s LEU 154 CO 0.10 -0.37 0.66 -2.65 -1.32 0.00 0.00 176.35 172.77 1bx2 n PRO 155 N 4.53 0.63 -3.67 0.98 -0.02 -1.26 -4.77 135.00 131.40 1bx2 n PRO 155 Ca -0.06 0.22 -0.04 0.00 -2.02 0.00 0.00 63.50 61.60 1bx2 n PRO 155 Cb 0.42 -1.45 -0.01 0.00 -0.02 0.00 0.00 33.50 32.44 1bx2 n PRO 155 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1bx2 s SER 156 N -0.85 -0.21 0.01 2.55 1.04 -1.26 -0.95 113.70 114.04 1bx2 s SER 156 Ca 0.62 -0.27 0.26 0.00 0.48 0.00 0.00 55.95 57.04 1bx2 s SER 156 Cb -0.72 0.42 0.60 0.00 0.10 0.00 0.00 66.02 66.42 1bx2 s SER 156 CO 0.58 -0.75 1.49 0.35 0.98 0.00 0.00 173.24 175.89 1bx2 n THR 157 N -0.41 0.03 1.09 2.02 -2.24 -1.26 -4.20 114.28 109.31 1bx2 n THR 157 Ca -0.07 -0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1bx2 n THR 157 Cb 0.61 0.10 0.18 0.00 -2.10 0.00 0.00 70.33 69.13 1bx2 n THR 157 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bx2 n GLU 158 N -1.55 0.57 -4.44 -0.78 -0.58 -1.26 -4.97 120.64 107.63 1bx2 n GLU 158 Ca 0.06 -0.40 -0.24 0.00 -0.42 0.00 0.00 57.16 56.16 1bx2 n GLU 158 Cb 0.34 -1.49 -0.10 0.00 -0.57 0.00 0.00 31.44 29.63 1bx2 n GLU 158 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bx2 s ASP 159 N -2.70 3.78 0.03 1.62 1.01 -1.26 -5.06 116.67 114.09 1bx2 s ASP 159 Ca 0.17 -0.98 0.03 0.00 0.71 0.00 0.00 52.55 52.48 1bx2 s ASP 159 Cb 0.18 -0.40 -0.02 0.00 1.01 0.00 0.00 42.92 43.69 1bx2 s ASP 159 CO 0.63 0.00 -0.08 0.68 0.21 0.00 0.00 175.17 176.61 1bx2 s VAL 160 N -2.49 0.60 0.14 -1.27 -7.23 -1.26 -4.52 120.40 104.37 1bx2 s VAL 160 Ca 0.31 -0.92 0.07 0.00 -1.81 0.00 0.00 61.98 59.63 1bx2 s VAL 160 Cb -0.04 -0.62 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1bx2 s VAL 160 CO 0.16 -0.24 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.25 1bx2 s TYR 161 N -1.07 1.55 -0.10 2.82 1.51 0.80 -1.52 117.35 121.34 1bx2 s TYR 161 Ca -0.06 -0.53 -0.07 0.00 -1.01 0.00 0.00 57.07 55.41 1bx2 s TYR 161 Cb -0.08 -0.80 0.03 0.00 -0.11 0.00 0.00 41.96 41.01 1bx2 s TYR 161 CO 0.00 0.21 0.24 -0.51 -1.11 0.00 0.00 175.55 174.38 1bx2 s ASP 162 N -2.54 -0.25 -0.26 2.29 1.01 0.27 -0.46 116.67 116.73 1bx2 s ASP 162 Ca 0.11 0.50 -0.09 0.00 0.71 0.00 0.00 52.55 53.78 1bx2 s ASP 162 Cb -0.05 0.44 -0.04 0.00 1.01 0.00 0.00 42.92 44.28 1bx2 s ASP 162 CO 0.04 -0.12 0.13 0.00 0.21 0.00 0.00 175.17 175.43 1bx2 s ARG 164 N 1.52 2.81 -0.15 0.00 3.52 0.73 -1.37 118.95 126.01 1bx2 s ARG 164 Ca 0.06 -1.07 -0.05 0.00 -0.13 0.00 0.00 55.73 54.55 1bx2 s ARG 164 Cb -0.15 -3.56 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 1bx2 s ARG 164 CO 0.07 -0.63 0.02 0.08 -0.81 0.00 0.00 175.30 174.02 1bx2 s VAL 165 N 1.49 4.39 -0.13 7.11 1.01 -0.07 -1.55 120.40 132.64 1bx2 s VAL 165 Ca 0.01 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1bx2 s VAL 165 Cb -0.19 -2.92 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1bx2 s VAL 165 CO 0.04 0.51 -0.17 -1.61 0.00 0.00 0.00 175.10 173.88 1bx2 s GLU 166 N -0.00 2.50 -0.02 2.72 2.02 -0.12 -1.61 118.70 124.19 1bx2 s GLU 166 Ca 0.04 -0.65 -0.06 0.00 0.02 0.00 0.00 54.97 54.31 1bx2 s GLU 166 Cb -0.13 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 31.98 1bx2 s GLU 166 CO 0.02 -0.10 0.14 -1.58 0.02 0.00 0.00 175.26 173.76 1bx2 s HIS 167 N 1.08 -0.05 0.46 1.61 2.46 -1.26 -1.70 115.29 117.89 1bx2 s HIS 167 Ca -0.03 0.10 0.35 0.00 0.47 0.00 0.00 55.06 55.95 1bx2 s HIS 167 Cb -0.14 -0.01 1.91 0.00 -0.13 0.00 0.00 32.58 34.21 1bx2 s HIS 167 CO -0.05 -0.19 2.07 -1.49 -2.47 0.00 0.00 174.74 172.61 1bx2 h TRP 168 N 5.02 0.00 -0.26 3.88 6.55 -1.95 -0.52 115.95 128.68 1bx2 h TRP 168 Ca -0.28 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.56 1bx2 h TRP 168 Cb 1.20 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 1bx2 h TRP 168 CO 0.51 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.31 1bx2 n GLY 169 N -1.17 0.79 3.80 1.49 0.00 -1.26 -4.88 105.19 103.96 1bx2 n GLY 169 Ca -0.02 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1bx2 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bx2 s LEU 170 N -1.49 4.03 0.33 0.99 1.02 -0.20 -4.22 118.68 119.14 1bx2 s LEU 170 Ca 0.34 0.31 0.06 0.00 0.02 0.00 0.00 54.13 54.86 1bx2 s LEU 170 Cb 0.19 -2.01 0.57 0.00 0.02 0.00 0.00 46.19 44.96 1bx2 s LEU 170 CO 0.27 0.38 1.81 0.44 0.02 0.00 0.00 176.35 179.27 1bx2 h ASP 171 N 4.92 0.35 -4.60 2.29 5.19 -1.90 -3.47 116.42 119.21 1bx2 h ASP 171 Ca -0.53 -0.10 0.18 0.00 -0.62 0.00 0.00 57.03 55.96 1bx2 h ASP 171 Cb 1.21 -0.09 -0.16 0.00 0.18 0.00 0.00 39.33 40.47 1bx2 h ASP 171 CO 0.57 0.57 0.62 -1.83 -3.12 0.00 0.00 179.24 176.05 1bx2 s GLU 172 N -4.58 0.64 -0.06 3.56 -1.05 -1.26 -5.14 118.70 110.81 1bx2 s GLU 172 Ca -0.06 -0.25 -0.33 0.00 -0.15 0.00 0.00 54.97 54.18 1bx2 s GLU 172 Cb 0.15 0.28 -0.16 0.00 -0.44 0.00 0.00 34.13 33.96 1bx2 s GLU 172 CO 0.76 -0.28 0.91 -2.30 0.95 0.00 0.00 175.26 175.30 1bx2 n PRO 173 N -0.22 0.00 -3.90 -4.83 -0.02 -1.26 -4.93 135.00 119.84 1bx2 n PRO 173 Ca -0.05 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.08 1bx2 n PRO 173 Cb 0.60 -1.19 -0.10 0.00 -0.02 0.00 0.00 33.50 32.79 1bx2 n PRO 173 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1bx2 s LEU 174 N 0.36 3.83 -0.10 2.45 2.96 -0.63 -4.95 118.68 122.59 1bx2 s LEU 174 Ca 0.74 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.69 1bx2 s LEU 174 Cb -1.04 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 1bx2 s LEU 174 CO 0.48 0.12 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.81 1bx2 s LEU 175 N 0.69 3.12 -0.16 -0.68 1.43 -1.26 -0.89 118.68 120.93 1bx2 s LEU 175 Ca 0.04 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1bx2 s LEU 175 Cb -0.13 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1bx2 s LEU 175 CO 0.02 0.28 -0.17 -0.54 0.23 0.00 0.00 176.35 176.17 1bx2 s LYS 176 N -0.33 3.15 0.06 1.70 -0.14 -0.47 -4.96 119.74 118.75 1bx2 s LYS 176 Ca 0.05 -0.78 -0.02 0.00 -1.36 0.00 0.00 55.97 53.86 1bx2 s LYS 176 Cb -0.13 -2.61 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 1bx2 s LYS 176 CO 0.02 -0.05 0.24 -1.58 -0.76 0.00 0.00 175.35 173.22 1bx2 s HIS 177 N 0.95 3.52 -0.10 3.18 5.65 -1.26 -1.07 115.29 126.16 1bx2 s HIS 177 Ca -0.03 0.34 -0.09 0.00 0.25 0.00 0.00 55.06 55.53 1bx2 s HIS 177 Cb -0.15 -1.83 0.03 0.00 -1.18 0.00 0.00 32.58 29.45 1bx2 s HIS 177 CO -0.03 0.57 0.26 -0.46 -0.65 0.00 0.00 174.74 174.43 1bx2 s TRP 178 N -1.49 -0.29 -0.28 3.88 -0.00 0.39 -4.88 118.94 116.27 1bx2 s TRP 178 Ca 0.34 0.70 -0.24 0.00 -0.00 0.00 0.00 56.10 56.90 1bx2 s TRP 178 Cb -0.13 0.09 0.09 0.00 -0.00 0.00 0.00 33.47 33.53 1bx2 s TRP 178 CO 0.25 -0.14 0.85 -1.83 -0.00 0.00 0.00 176.95 176.08 1bx2 s GLU 179 N 0.22 0.68 0.50 5.86 -1.05 -1.26 -0.14 118.70 123.51 1bx2 s GLU 179 Ca -0.01 0.84 -0.23 0.00 -0.15 0.00 0.00 54.97 55.42 1bx2 s GLU 179 Cb -0.02 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.91 1bx2 s GLU 179 CO -0.00 -0.09 1.25 0.34 0.95 0.00 0.00 175.26 177.71 1bx2 n PHE 180 N 2.63 1.95 -0.19 4.83 -0.00 -1.26 -5.07 117.46 120.34 1bx2 n PHE 180 Ca -0.14 0.46 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1bx2 n PHE 180 Cb 0.56 -2.33 0.00 0.00 -0.00 0.00 0.00 39.48 37.71 1bx2 n PHE 180 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51