#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fq2 s GLU 2 N 0.00 3.60 -0.25 0.00 2.56 -1.26 -4.97 118.70 118.38 3fq2 s GLU 2 Ca 0.00 1.60 0.19 0.00 0.00 0.00 0.00 54.97 56.76 3fq2 s GLU 2 Cb 0.00 -2.16 0.49 0.00 2.00 0.00 0.00 34.13 34.46 3fq2 s GLU 2 CO 0.00 -0.64 1.14 0.00 -0.56 0.00 0.00 175.26 175.19 3fq2 s SER 4 N -3.63 0.15 -0.05 0.00 0.15 -1.26 -1.50 113.70 107.56 3fq2 s SER 4 Ca 0.34 -0.48 -0.06 0.00 0.70 0.00 0.00 55.95 56.45 3fq2 s SER 4 Cb 0.35 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.90 3fq2 s SER 4 CO -0.03 -0.50 0.16 0.54 1.20 0.00 0.00 173.24 174.61 3fq2 s VAL 5 N -2.46 0.02 -0.15 4.45 0.11 -0.01 -4.94 120.40 117.41 3fq2 s VAL 5 Ca -0.06 -0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 58.71 3fq2 s VAL 5 Cb -0.02 -0.27 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 3fq2 s VAL 5 CO -0.04 -0.08 0.29 -1.81 -3.33 0.00 0.00 175.10 170.13 3fq2 s ASP 6 N -0.22 6.44 -0.07 3.54 1.01 -1.26 -0.87 116.67 125.24 3fq2 s ASP 6 Ca -0.03 0.52 0.02 0.00 0.71 0.00 0.00 52.55 53.77 3fq2 s ASP 6 Cb -0.03 -2.18 0.01 0.00 1.01 0.00 0.00 42.92 41.74 3fq2 s ASP 6 CO 0.00 0.12 -0.12 -0.63 0.21 0.00 0.00 175.17 174.75 3fq2 s ILE 7 N 0.35 1.15 0.04 0.77 -1.09 -0.02 -4.93 121.20 117.45 3fq2 s ILE 7 Ca 0.17 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 58.16 3fq2 s ILE 7 Cb -0.13 -1.05 -0.02 0.00 -1.58 0.00 0.00 42.46 39.68 3fq2 s ILE 7 CO 0.04 0.36 -0.16 0.00 -1.23 0.00 0.00 174.94 173.95 3fq2 s GLN 8 N 0.68 1.06 -0.02 2.79 0.00 -1.26 -1.43 119.66 121.47 3fq2 s GLN 8 Ca -0.14 -0.80 0.03 0.00 -0.00 0.00 0.00 55.36 54.45 3fq2 s GLN 8 Cb -0.16 -1.10 -0.00 0.00 0.00 0.00 0.00 33.01 31.75 3fq2 s GLN 8 CO 0.04 0.28 -0.12 0.20 0.00 0.00 0.00 175.29 175.68 3fq2 s GLY 9 N -1.12 0.63 0.22 2.60 0.00 -0.78 -2.75 107.32 106.12 3fq2 s GLY 9 Ca 0.03 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.30 3fq2 s GLY 9 CO 0.01 -0.30 0.30 1.16 0.00 0.00 0.00 173.10 174.27 3fq2 n ASN 10 N 3.01 0.73 0.08 1.64 0.23 -0.51 -3.56 115.26 116.88 3fq2 n ASN 10 Ca -0.16 -1.54 0.09 0.00 -0.53 0.00 0.00 54.58 52.43 3fq2 n ASN 10 Cb 0.55 -0.16 0.39 0.00 -2.08 0.00 0.00 39.78 38.47 3fq2 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3fq2 n ASP 11 N -2.78 0.37 -1.53 0.53 8.00 -1.23 -2.63 116.55 117.28 3fq2 n ASP 11 Ca 0.06 0.62 0.10 0.00 0.71 0.00 0.00 54.79 56.27 3fq2 n ASP 11 Cb 0.22 -0.68 0.35 0.00 -0.02 0.00 0.00 41.12 40.98 3fq2 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fq2 n GLN 12 N -1.93 3.48 -2.07 -1.24 3.00 -1.26 -4.94 117.38 112.41 3fq2 n GLN 12 Ca 0.01 -2.76 -0.20 0.00 -0.01 0.00 0.00 57.00 54.04 3fq2 n GLN 12 Cb 0.13 -1.82 -0.04 0.00 0.00 0.00 0.00 30.24 28.51 3fq2 n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 3fq2 n MET 13 N 1.22 -1.62 -3.62 -1.09 2.81 -1.08 -4.98 117.12 108.76 3fq2 n MET 13 Ca 0.25 1.05 -0.36 0.00 -1.81 0.00 0.00 57.70 56.83 3fq2 n MET 13 Cb 0.82 -5.60 -0.09 0.00 -0.71 0.00 0.00 33.22 27.65 3fq2 n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3fq2 s GLN 14 N -4.50 4.14 0.19 0.03 -0.21 -1.26 -4.77 119.66 113.29 3fq2 s GLN 14 Ca 0.00 -0.14 0.08 0.00 0.02 0.00 0.00 55.36 55.31 3fq2 s GLN 14 Cb 0.00 -3.49 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 3fq2 s GLN 14 CO 0.00 0.13 -0.15 -0.06 -2.12 0.00 0.00 175.29 173.09 3fq2 s PHE 15 N 0.84 1.69 0.21 0.91 0.08 -1.26 -1.43 117.98 119.02 3fq2 s PHE 15 Ca 0.10 -0.56 0.12 0.00 0.12 0.00 0.00 56.93 56.71 3fq2 s PHE 15 Cb -0.13 -0.80 0.30 0.00 -0.57 0.00 0.00 43.02 41.82 3fq2 s PHE 15 CO 0.03 0.33 1.57 -2.95 -0.10 0.00 0.00 175.22 174.10 3fq2 h ASN 16 N 2.72 0.00 -4.57 1.36 -1.07 -1.90 -3.47 115.58 108.65 3fq2 h ASN 16 Ca -0.39 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 55.86 3fq2 h ASN 16 Cb 1.22 0.00 -0.22 0.00 -2.07 0.00 0.00 38.32 37.25 3fq2 h ASN 16 CO 0.60 0.64 -0.31 0.28 0.07 0.00 0.00 177.43 178.71 3fq2 s THR 17 N -3.42 0.04 -0.51 6.14 -1.32 -1.26 -5.02 115.64 110.28 3fq2 s THR 17 Ca -0.00 -0.31 0.13 0.00 -1.21 0.00 0.00 61.69 60.29 3fq2 s THR 17 Cb 0.12 -0.55 0.39 0.00 -1.51 0.00 0.00 72.50 70.95 3fq2 s THR 17 CO 0.76 -0.17 1.31 -0.46 -2.21 0.00 0.00 174.62 173.85 3fq2 n ASN 18 N 1.88 3.27 -3.67 8.08 0.23 -1.26 -4.94 115.26 118.86 3fq2 n ASN 18 Ca -0.18 -2.50 -0.08 0.00 -0.53 0.00 0.00 54.58 51.29 3fq2 n ASN 18 Cb 0.57 -0.37 -0.09 0.00 -2.08 0.00 0.00 39.78 37.81 3fq2 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fq2 s ALA 19 N -1.89 -1.39 -0.06 -2.53 0.00 -1.26 -2.52 121.76 112.11 3fq2 s ALA 19 Ca 0.31 1.83 0.04 0.00 0.00 0.00 0.00 51.96 54.13 3fq2 s ALA 19 Cb 0.22 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3fq2 s ALA 19 CO 0.11 -0.49 -0.17 0.42 0.00 0.00 0.00 175.76 175.63 3fq2 s ILE 20 N 1.94 1.49 -0.14 0.00 1.01 -0.37 -4.99 121.20 120.13 3fq2 s ILE 20 Ca -0.07 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 59.84 3fq2 s ILE 20 Cb -0.09 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 3fq2 s ILE 20 CO -0.15 0.43 -0.08 -0.89 0.00 0.00 0.00 174.94 174.25 3fq2 s THR 21 N 0.26 3.52 -0.32 2.92 2.01 -1.26 -1.67 115.64 121.10 3fq2 s THR 21 Ca -0.09 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.32 3fq2 s THR 21 Cb -0.14 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.86 3fq2 s THR 21 CO 0.04 0.51 0.13 -0.69 -0.69 0.00 0.00 174.62 173.92 3fq2 s VAL 22 N 0.31 4.33 0.21 3.82 1.01 0.95 -4.95 120.40 126.08 3fq2 s VAL 22 Ca -0.07 -0.63 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 3fq2 s VAL 22 Cb -0.15 -3.26 -0.11 0.00 0.00 0.00 0.00 36.38 32.86 3fq2 s VAL 22 CO 0.04 0.01 1.63 -0.62 0.00 0.00 0.00 175.10 176.16 3fq2 s ASP 23 N 1.55 6.47 0.30 3.32 -1.08 -1.26 -1.29 116.67 124.69 3fq2 s ASP 23 Ca 0.03 2.78 0.18 0.00 -0.52 0.00 0.00 52.55 55.01 3fq2 s ASP 23 Cb -0.18 -2.60 0.97 0.00 -1.46 0.00 0.00 42.92 39.65 3fq2 s ASP 23 CO 0.05 -0.89 1.51 2.29 0.52 0.00 0.00 175.17 178.65 3fq2 n LYS 24 N 3.59 0.12 0.00 4.34 2.85 -0.21 -0.78 118.16 128.06 3fq2 n LYS 24 Ca 0.13 0.61 0.13 0.00 -1.05 0.00 0.00 58.31 58.13 3fq2 n LYS 24 Cb 0.37 -1.97 0.33 0.00 -0.65 0.00 0.00 35.03 33.11 3fq2 n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 3fq2 n SER 25 N -2.14 1.35 -4.74 -5.58 3.41 -1.26 -4.84 113.62 99.81 3fq2 n SER 25 Ca -0.01 -1.14 -0.41 0.00 -0.26 0.00 0.00 58.87 57.05 3fq2 n SER 25 Cb 0.11 0.17 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 3fq2 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fq2 h LYS 27 N 4.83 0.18 -6.07 0.00 1.79 -1.88 -3.43 116.57 111.98 3fq2 h LYS 27 Ca -0.45 -0.30 -0.57 0.00 -2.18 0.00 0.00 60.65 57.15 3fq2 h LYS 27 Cb 1.21 0.11 -0.15 0.00 -1.58 0.00 0.00 32.23 31.83 3fq2 h LYS 27 CO 0.72 0.96 -0.76 1.14 -1.08 0.00 0.00 179.45 180.43 3fq2 s GLN 28 N -2.60 1.57 -0.01 3.15 -2.07 -1.26 -1.40 119.66 117.04 3fq2 s GLN 28 Ca -0.11 -1.69 0.01 0.00 -1.82 0.00 0.00 55.36 51.74 3fq2 s GLN 28 Cb 0.07 -1.60 0.01 0.00 -1.09 0.00 0.00 33.01 30.40 3fq2 s GLN 28 CO 0.82 0.30 -0.01 0.12 -1.32 0.00 0.00 175.29 175.20 3fq2 s PHE 29 N -2.54 0.22 -0.05 9.60 5.36 -0.43 -4.83 117.98 125.31 3fq2 s PHE 29 Ca 0.27 -0.01 0.05 0.00 -0.96 0.00 0.00 56.93 56.28 3fq2 s PHE 29 Cb -0.04 -0.24 -0.02 0.00 -0.34 0.00 0.00 43.02 42.38 3fq2 s PHE 29 CO 0.12 -0.06 -0.20 0.99 -1.46 0.00 0.00 175.22 174.62 3fq2 s THR 30 N 0.45 2.58 -0.13 0.12 2.01 -0.56 -1.27 115.64 118.84 3fq2 s THR 30 Ca -0.04 -0.89 0.01 0.00 0.31 0.00 0.00 61.69 61.08 3fq2 s THR 30 Cb -0.07 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 70.46 3fq2 s THR 30 CO -0.01 0.58 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.63 3fq2 s VAL 31 N -0.47 2.58 -0.36 3.82 1.01 -0.16 -0.83 120.40 125.99 3fq2 s VAL 31 Ca 0.06 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3fq2 s VAL 31 Cb -0.12 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.25 3fq2 s VAL 31 CO 0.01 0.53 0.14 0.20 0.00 0.00 0.00 175.10 175.99 3fq2 s ASN 32 N 0.54 5.39 -0.04 3.32 0.01 -0.05 -1.63 114.94 122.48 3fq2 s ASN 32 Ca -0.11 -1.24 -0.15 0.00 -0.71 0.00 0.00 52.86 50.65 3fq2 s ASN 32 Cb -0.16 -1.89 -0.05 0.00 0.41 0.00 0.00 41.25 39.55 3fq2 s ASN 32 CO 0.04 -0.38 0.39 -0.22 -1.51 0.00 0.00 177.10 175.42 3fq2 s LEU 33 N 1.40 4.42 0.21 0.60 2.96 0.17 -0.85 118.68 127.59 3fq2 s LEU 33 Ca -0.00 0.87 0.03 0.00 -0.22 0.00 0.00 54.13 54.80 3fq2 s LEU 33 Cb -0.20 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 3fq2 s LEU 33 CO 0.03 0.27 0.00 -0.94 -1.32 0.00 0.00 176.35 174.38 3fq2 s SER 34 N -0.69 1.51 -0.36 3.68 1.04 -0.52 -0.74 113.70 117.62 3fq2 s SER 34 Ca 0.23 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.46 3fq2 s SER 34 Cb -0.16 0.07 0.14 0.00 0.10 0.00 0.00 66.02 66.17 3fq2 s SER 34 CO 0.11 -0.55 0.23 -2.28 0.98 0.00 0.00 173.24 171.74 3fq2 s HIS 35 N -3.55 0.84 0.79 5.02 2.46 -1.21 -1.87 115.29 117.78 3fq2 s HIS 35 Ca 0.27 -1.76 -0.13 0.00 0.47 0.00 0.00 55.06 53.91 3fq2 s HIS 35 Cb 0.06 -0.97 0.07 0.00 -0.13 0.00 0.00 32.58 31.62 3fq2 s HIS 35 CO 0.07 -0.83 1.18 -2.14 -2.47 0.00 0.00 174.74 170.55 3fq2 s PRO 36 N 0.89 1.82 0.00 2.88 0.02 -1.23 -1.95 135.00 137.42 3fq2 s PRO 36 Ca 0.20 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.86 3fq2 s PRO 36 Cb -0.19 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.52 3fq2 s PRO 36 CO -0.02 -2.05 0.00 0.41 -0.33 0.00 0.00 177.00 175.01 3fq2 n GLY 37 N 0.17 0.91 0.00 0.52 0.00 -1.26 -3.48 105.19 102.06 3fq2 n GLY 37 Ca 0.12 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.94 3fq2 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fq2 n ASN 38 N 1.00 0.09 -4.78 1.61 5.03 -1.26 -4.35 115.26 112.59 3fq2 n ASN 38 Ca 0.00 -0.41 -0.39 0.00 0.87 0.00 0.00 54.58 54.65 3fq2 n ASN 38 Cb 0.00 0.53 -0.06 0.00 -1.02 0.00 0.00 39.78 39.23 3fq2 n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3fq2 s LEU 39 N -1.07 4.54 0.82 3.41 1.43 -1.26 -4.84 118.68 121.70 3fq2 s LEU 39 Ca 0.00 1.60 -0.12 0.00 -1.03 0.00 0.00 54.13 54.59 3fq2 s LEU 39 Cb 0.00 -3.37 0.08 0.00 0.03 0.00 0.00 46.19 42.93 3fq2 s LEU 39 CO 0.00 0.17 1.10 -2.16 0.23 0.00 0.00 176.35 175.69 3fq2 s PRO 40 N -1.34 1.93 0.61 1.29 0.04 -1.26 -1.34 135.00 134.92 3fq2 s PRO 40 Ca 0.37 0.65 0.32 0.00 0.04 0.00 0.00 61.00 62.38 3fq2 s PRO 40 Cb -0.22 -1.90 1.85 0.00 0.04 0.00 0.00 34.50 34.27 3fq2 s PRO 40 CO 0.25 -1.73 2.20 1.57 0.04 0.00 0.00 177.00 179.33 3fq2 h LYS 41 N -1.17 0.00 0.00 4.56 2.10 -1.86 -0.80 116.57 119.41 3fq2 h LYS 41 Ca -0.47 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.08 3fq2 h LYS 41 Cb 1.27 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.59 3fq2 h LYS 41 CO 0.59 0.00 -0.47 -2.95 -2.00 0.00 0.00 179.45 174.62 3fq2 h ASN 42 N 0.00 0.00 0.07 7.07 -1.07 -1.94 -1.43 115.58 118.29 3fq2 h ASN 42 Ca 0.03 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 56.03 3fq2 h ASN 42 Cb 0.21 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.42 3fq2 h ASN 42 CO -0.00 0.47 -2.23 0.52 0.07 0.00 0.00 177.43 176.26 3fq2 n VAL 43 N -3.26 1.63 -2.71 6.14 0.31 -0.66 -4.78 118.33 114.99 3fq2 n VAL 43 Ca 0.02 -0.63 -0.05 0.00 -0.01 0.00 0.00 64.34 63.67 3fq2 n VAL 43 Cb 0.70 -1.53 0.08 0.00 -0.91 0.00 0.00 33.84 32.18 3fq2 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 3fq2 n MET 44 N -3.34 1.31 -2.39 5.55 0.00 -0.39 -5.03 117.12 112.83 3fq2 n MET 44 Ca -0.38 -2.51 -0.34 0.00 -0.00 0.00 0.00 57.70 54.47 3fq2 n MET 44 Cb 1.02 -0.66 -0.02 0.00 0.00 0.00 0.00 33.22 33.57 3fq2 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3fq2 s GLY 45 N -2.33 2.51 0.04 -5.12 0.00 -0.54 -4.76 107.32 97.12 3fq2 s GLY 45 Ca 0.22 0.66 0.05 0.00 0.00 0.00 0.00 44.72 45.65 3fq2 s GLY 45 CO -0.04 0.99 -0.14 0.30 0.00 0.00 0.00 173.10 174.21 3fq2 s HIS 46 N -1.96 1.21 0.33 1.90 3.76 0.67 -4.70 115.29 116.49 3fq2 s HIS 46 Ca 0.69 -0.37 0.05 0.00 -0.15 0.00 0.00 55.06 55.28 3fq2 s HIS 46 Cb -0.19 -0.71 -0.07 0.00 1.11 0.00 0.00 32.58 32.73 3fq2 s HIS 46 CO 0.24 0.04 0.03 0.54 -0.85 0.00 0.00 174.74 174.73 3fq2 s ASN 47 N -1.23 2.70 -0.17 1.40 2.20 -1.26 -0.40 114.94 118.17 3fq2 s ASN 47 Ca 0.01 -1.34 0.01 0.00 -0.94 0.00 0.00 52.86 50.60 3fq2 s ASN 47 Cb -0.08 -0.15 0.01 0.00 -2.00 0.00 0.00 41.25 39.03 3fq2 s ASN 47 CO 0.01 -0.53 -0.18 0.86 -2.94 0.00 0.00 177.10 174.33 3fq2 s TRP 48 N -3.14 2.77 -0.03 1.54 -0.00 -1.26 -3.88 118.94 114.94 3fq2 s TRP 48 Ca 0.35 -1.43 0.03 0.00 -0.00 0.00 0.00 56.10 55.05 3fq2 s TRP 48 Cb 0.08 -1.91 -0.00 0.00 -0.00 0.00 0.00 33.47 31.64 3fq2 s TRP 48 CO 0.15 -0.69 -0.12 0.08 -0.00 0.00 0.00 176.95 176.37 3fq2 s VAL 49 N 1.14 0.98 -0.09 5.86 1.01 0.79 -1.17 120.40 128.92 3fq2 s VAL 49 Ca 0.01 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3fq2 s VAL 49 Cb -0.14 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3fq2 s VAL 49 CO -0.08 0.29 -0.20 -0.22 0.00 0.00 0.00 175.10 174.89 3fq2 s LEU 50 N 0.06 2.32 0.25 3.92 2.96 0.04 -1.25 118.68 126.98 3fq2 s LEU 50 Ca -0.02 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.34 3fq2 s LEU 50 Cb -0.09 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 3fq2 s LEU 50 CO 0.01 0.20 0.44 -0.94 -1.32 0.00 0.00 176.35 174.74 3fq2 s SER 51 N 0.09 -0.02 0.74 3.68 1.04 -0.53 -0.89 113.70 117.81 3fq2 s SER 51 Ca -0.09 -1.01 -0.16 0.00 0.48 0.00 0.00 55.95 55.17 3fq2 s SER 51 Cb -0.15 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3fq2 s SER 51 CO 0.06 -1.12 0.82 0.35 0.98 0.00 0.00 173.24 174.33 3fq2 n THR 52 N -0.38 2.24 -0.31 2.02 -2.24 -1.26 -0.71 114.28 113.64 3fq2 n THR 52 Ca -0.01 -0.35 0.13 0.00 -2.27 0.00 0.00 64.05 61.55 3fq2 n THR 52 Cb 0.62 -0.97 0.31 0.00 -2.10 0.00 0.00 70.33 68.19 3fq2 n THR 52 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fq2 h ALA 53 N -0.43 1.45 0.00 6.98 0.00 -0.87 -1.98 119.26 124.41 3fq2 h ALA 53 Ca -0.46 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3fq2 h ALA 53 Cb 1.33 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3fq2 h ALA 53 CO 0.45 -0.32 -0.06 0.00 0.00 0.00 0.00 179.25 179.32 3fq2 h ALA 54 N 1.70 1.01 0.00 0.00 0.00 -1.90 -2.67 119.26 117.40 3fq2 h ALA 54 Ca 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3fq2 h ALA 54 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3fq2 h ALA 54 CO -0.51 0.07 -1.28 -0.25 0.00 0.00 0.00 179.25 177.29 3fq2 n ASP 55 N -3.18 0.56 -0.09 0.00 8.00 -0.77 -4.47 116.55 116.59 3fq2 n ASP 55 Ca 0.01 -0.35 -0.06 0.00 0.71 0.00 0.00 54.79 55.10 3fq2 n ASP 55 Cb 0.34 1.16 0.01 0.00 -0.02 0.00 0.00 41.12 42.61 3fq2 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3fq2 h MET 56 N 0.00 0.05 -0.41 -1.24 1.85 -1.17 -1.87 114.93 112.14 3fq2 h MET 56 Ca 0.00 -0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.17 3fq2 h MET 56 Cb 0.75 -0.01 -0.09 0.00 0.43 0.00 0.00 31.60 32.68 3fq2 h MET 56 CO 0.00 0.04 -0.19 0.37 -0.40 0.00 0.00 176.91 176.73 3fq2 h GLN 57 N 0.06 -0.11 -0.07 0.39 4.15 -1.78 -1.84 115.11 115.90 3fq2 h GLN 57 Ca 0.16 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 3fq2 h GLN 57 Cb 0.23 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.94 3fq2 h GLN 57 CO -0.30 -0.07 0.01 0.78 -1.93 0.00 0.00 178.83 177.31 3fq2 h GLY 58 N -0.11 0.13 0.07 2.39 0.00 -1.75 -1.05 103.07 102.74 3fq2 h GLY 58 Ca 0.20 -0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.53 3fq2 h GLY 58 CO -0.48 0.09 -0.12 -2.08 0.00 0.00 0.00 176.54 173.94 3fq2 h VAL 59 N -0.14 0.52 -0.13 4.60 2.07 -1.26 0.11 116.25 122.02 3fq2 h VAL 59 Ca 0.02 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.57 3fq2 h VAL 59 Cb 0.31 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3fq2 h VAL 59 CO 0.00 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 178.13 3fq2 h VAL 60 N -0.01 0.84 -0.04 2.57 2.07 -1.12 0.74 116.25 121.29 3fq2 h VAL 60 Ca 0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 3fq2 h VAL 60 Cb 0.35 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3fq2 h VAL 60 CO -0.48 0.00 -0.02 0.74 0.02 0.00 0.00 177.57 177.83 3fq2 h THR 61 N -0.02 1.33 -0.21 2.57 2.02 -0.86 -0.46 112.91 117.27 3fq2 h THR 61 Ca 0.07 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.15 3fq2 h THR 61 Cb 0.12 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3fq2 h THR 61 CO -0.14 0.28 -0.19 0.44 0.37 0.00 0.00 175.52 176.27 3fq2 h ASP 62 N -0.30 0.36 -0.22 4.18 3.32 -0.81 -2.67 116.42 120.29 3fq2 h ASP 62 Ca 0.01 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3fq2 h ASP 62 Cb 0.45 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3fq2 h ASP 62 CO 0.01 0.57 0.11 1.23 -1.72 0.00 0.00 179.24 179.44 3fq2 h GLY 63 N 0.93 0.33 0.73 2.75 0.00 -0.50 -2.67 103.07 104.65 3fq2 h GLY 63 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.28 3fq2 h GLY 63 CO 0.04 0.15 0.32 1.98 0.00 0.00 0.00 176.54 179.02 3fq2 h MET 64 N 0.23 0.60 -0.71 4.80 1.85 -0.93 -0.89 114.93 119.87 3fq2 h MET 64 Ca 0.07 -0.04 0.12 0.00 -0.61 0.00 0.00 59.70 59.25 3fq2 h MET 64 Cb 0.09 -0.13 -0.05 0.00 0.43 0.00 0.00 31.60 31.94 3fq2 h MET 64 CO -0.01 0.39 0.47 0.00 -0.40 0.00 0.00 176.91 177.36 3fq2 h ALA 65 N 1.30 2.01 0.00 0.39 0.00 -1.30 -2.66 119.26 119.00 3fq2 h ALA 65 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3fq2 h ALA 65 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3fq2 h ALA 65 CO -0.16 -0.18 -0.06 0.77 0.00 0.00 0.00 179.25 179.62 3fq2 h SER 66 N 0.47 0.00 -4.03 0.00 0.02 -0.81 -3.49 113.55 105.71 3fq2 h SER 66 Ca 0.34 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3fq2 h SER 66 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3fq2 h SER 66 CO -0.11 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.20 3fq2 n GLY 67 N 1.26 -1.51 0.24 -3.77 0.00 -1.00 -4.15 105.19 96.27 3fq2 n GLY 67 Ca 0.05 -1.54 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 3fq2 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fq2 h LEU 68 N 0.00 0.69 -1.08 0.99 5.85 -1.92 -0.39 115.31 119.44 3fq2 h LEU 68 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3fq2 h LEU 68 Cb 0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 3fq2 h LEU 68 CO 0.00 0.54 0.00 0.44 -0.34 0.00 0.00 178.44 179.08 3fq2 h ASP 69 N 0.77 0.00 -0.72 1.25 3.32 -2.02 0.22 116.42 119.24 3fq2 h ASP 69 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3fq2 h ASP 69 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3fq2 h ASP 69 CO -0.04 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.77 3fq2 n LYS 70 N -2.38 2.99 -2.91 3.56 4.76 -0.72 -4.95 118.16 118.51 3fq2 n LYS 70 Ca 0.01 -2.73 -0.21 0.00 -2.87 0.00 0.00 58.31 52.51 3fq2 n LYS 70 Cb 0.18 -1.66 0.02 0.00 -1.84 0.00 0.00 35.03 31.72 3fq2 n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3fq2 n ASP 71 N 1.54 -5.37 -3.89 4.39 9.92 0.78 -2.69 116.55 121.24 3fq2 n ASP 71 Ca 0.25 -0.20 -0.29 0.00 -0.53 0.00 0.00 54.79 54.02 3fq2 n ASP 71 Cb 0.70 -4.40 0.02 0.00 -0.64 0.00 0.00 41.12 36.80 3fq2 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3fq2 n TYR 72 N -4.19 -2.20 -4.21 1.24 4.01 -0.24 -4.77 117.16 106.80 3fq2 n TYR 72 Ca -0.12 0.89 -0.18 0.00 -0.16 0.00 0.00 57.90 58.32 3fq2 n TYR 72 Cb 0.62 -4.01 -0.15 0.00 -0.31 0.00 0.00 39.34 35.48 3fq2 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fq2 s LEU 73 N -7.17 1.70 0.21 7.72 1.43 -1.09 -4.29 118.68 117.18 3fq2 s LEU 73 Ca 0.53 -0.12 -0.31 0.00 -1.03 0.00 0.00 54.13 53.20 3fq2 s LEU 73 Cb -0.27 -0.39 -0.10 0.00 0.03 0.00 0.00 46.19 45.46 3fq2 s LEU 73 CO 0.83 0.02 1.46 -0.75 0.23 0.00 0.00 176.35 178.14 3fq2 s LYS 74 N 0.33 4.27 0.31 1.70 2.20 -1.26 -4.85 119.74 122.44 3fq2 s LYS 74 Ca -0.04 2.28 -0.28 0.00 -0.36 0.00 0.00 55.97 57.56 3fq2 s LYS 74 Cb -0.08 -3.14 -0.13 0.00 -1.51 0.00 0.00 37.83 32.96 3fq2 s LYS 74 CO -0.00 -0.46 1.17 -2.30 -0.36 0.00 0.00 175.35 173.40 3fq2 n PRO 75 N 2.99 1.77 -3.37 4.03 -0.02 -1.26 -3.18 135.00 135.97 3fq2 n PRO 75 Ca 0.09 0.62 -0.21 0.00 -2.02 0.00 0.00 63.50 61.98 3fq2 n PRO 75 Cb 0.40 -2.11 0.06 0.00 -0.02 0.00 0.00 33.50 31.83 3fq2 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fq2 n ASP 76 N 1.06 -5.88 -4.50 2.55 8.00 -1.26 -4.93 116.55 111.59 3fq2 n ASP 76 Ca 0.07 -0.43 -0.43 0.00 0.71 0.00 0.00 54.79 54.71 3fq2 n ASP 76 Cb 0.34 -4.54 -0.04 0.00 -0.02 0.00 0.00 41.12 36.86 3fq2 n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fq2 s ASP 77 N -3.17 6.22 0.03 -2.24 -1.08 -1.19 -4.88 116.67 110.36 3fq2 s ASP 77 Ca 0.47 -0.67 0.15 0.00 -0.52 0.00 0.00 52.55 51.98 3fq2 s ASP 77 Cb -0.21 -2.46 0.64 0.00 -1.46 0.00 0.00 42.92 39.43 3fq2 s ASP 77 CO 0.58 -1.47 1.47 -1.54 0.52 0.00 0.00 175.17 174.74 3fq2 n SER 78 N 8.03 0.07 0.22 -0.34 3.41 -1.26 -1.90 113.62 121.84 3fq2 n SER 78 Ca -0.01 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.23 3fq2 n SER 78 Cb 0.47 -0.53 0.37 0.00 -0.26 0.00 0.00 64.21 64.26 3fq2 n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3fq2 h ARG 79 N 0.00 0.00 -6.43 4.33 3.08 -1.98 -3.43 114.38 109.96 3fq2 h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3fq2 h ARG 79 Cb 0.25 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 3fq2 h ARG 79 CO 0.00 0.16 1.02 0.08 -1.07 0.00 0.00 179.97 180.15 3fq2 s VAL 80 N -3.43 4.03 0.09 2.04 1.01 -0.80 -4.50 120.40 118.83 3fq2 s VAL 80 Ca 0.03 1.12 -0.08 0.00 0.00 0.00 0.00 61.98 63.05 3fq2 s VAL 80 Cb 0.08 -4.16 -0.26 0.00 0.00 0.00 0.00 36.38 32.04 3fq2 s VAL 80 CO 0.64 -0.59 1.18 0.40 0.00 0.00 0.00 175.10 176.73 3fq2 h ILE 81 N 6.17 1.40 -2.42 2.22 2.04 -1.29 -3.48 117.51 122.15 3fq2 h ILE 81 Ca -0.27 -2.69 0.10 0.00 1.00 0.00 0.00 64.86 63.00 3fq2 h ILE 81 Cb 1.10 2.72 -0.14 0.00 -0.74 0.00 0.00 36.82 39.76 3fq2 h ILE 81 CO 1.05 0.80 0.44 0.00 0.00 0.00 0.00 178.15 180.45 3fq2 s ALA 82 N -2.93 -1.76 -0.07 1.87 0.00 -1.24 -5.00 121.76 112.63 3fq2 s ALA 82 Ca -0.06 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 3fq2 s ALA 82 Cb 0.07 0.53 0.11 0.00 0.00 0.00 0.00 23.12 23.83 3fq2 s ALA 82 CO 0.89 -0.75 0.90 -3.38 0.00 0.00 0.00 175.76 173.43 3fq2 s HIS 83 N -3.26 -0.40 0.73 0.00 -3.43 -1.26 -0.78 115.29 106.89 3fq2 s HIS 83 Ca 0.05 0.50 -0.02 0.00 -0.80 0.00 0.00 55.06 54.79 3fq2 s HIS 83 Cb -0.01 0.49 0.12 0.00 -1.43 0.00 0.00 32.58 31.75 3fq2 s HIS 83 CO -0.08 -0.47 1.00 0.95 -2.00 0.00 0.00 174.74 174.14 3fq2 s THR 84 N -2.07 2.16 1.02 -5.38 -4.23 -0.32 -4.79 115.64 102.04 3fq2 s THR 84 Ca 0.00 -0.55 -0.14 0.00 -1.18 0.00 0.00 61.69 59.82 3fq2 s THR 84 Cb -0.01 -2.61 0.20 0.00 1.34 0.00 0.00 72.50 71.42 3fq2 s THR 84 CO -0.02 0.00 1.14 -0.54 -0.54 0.00 0.00 174.62 174.66 3fq2 s LYS 85 N -5.17 0.28 -0.08 3.99 1.02 -1.26 -4.57 119.74 113.93 3fq2 s LYS 85 Ca 0.66 0.17 -0.28 0.00 0.02 0.00 0.00 55.97 56.53 3fq2 s LYS 85 Cb -0.06 -1.75 -0.02 0.00 -0.52 0.00 0.00 37.83 35.48 3fq2 s LYS 85 CO 0.45 -2.76 0.95 -1.17 -0.92 0.00 0.00 175.35 171.89 3fq2 s LEU 86 N -6.36 4.28 0.25 3.17 2.96 -1.26 -4.43 118.68 117.28 3fq2 s LEU 86 Ca 0.67 1.48 0.11 0.00 -0.22 0.00 0.00 54.13 56.18 3fq2 s LEU 86 Cb -0.13 -3.47 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 3fq2 s LEU 86 CO 0.55 -0.36 -0.20 0.27 -1.32 0.00 0.00 176.35 175.29 3fq2 s ILE 87 N 1.65 2.32 0.24 6.68 -4.36 0.46 -4.90 121.20 123.28 3fq2 s ILE 87 Ca 0.47 -2.29 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 3fq2 s ILE 87 Cb -0.19 -2.21 0.01 0.00 1.25 0.00 0.00 42.46 41.32 3fq2 s ILE 87 CO 0.20 -0.38 0.05 0.61 0.24 0.00 0.00 174.94 175.65 3fq2 n GLY 88 N -0.40 3.66 3.76 6.27 0.00 -1.26 -0.24 105.19 116.99 3fq2 n GLY 88 Ca -0.07 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.30 3fq2 n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fq2 s SER 89 N -2.32 6.00 0.00 1.61 1.04 -0.45 -1.62 113.70 117.96 3fq2 s SER 89 Ca 0.03 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.96 3fq2 s SER 89 Cb -0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 3fq2 s SER 89 CO 0.02 -1.05 0.00 0.61 0.98 0.00 0.00 173.24 173.80 3fq2 n GLY 90 N 0.58 0.41 3.87 7.32 0.00 -0.82 -4.93 105.19 111.62 3fq2 n GLY 90 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3fq2 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fq2 s GLU 91 N -0.66 2.74 -0.02 1.61 2.02 -0.64 -4.99 118.70 118.77 3fq2 s GLU 91 Ca 0.00 -1.30 -0.06 0.00 0.02 0.00 0.00 54.97 53.63 3fq2 s GLU 91 Cb 0.00 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3fq2 s GLU 91 CO 0.00 0.04 0.12 0.15 0.02 0.00 0.00 175.26 175.59 3fq2 s LYS 92 N -4.04 0.34 -0.09 1.61 1.02 -1.26 -3.28 119.74 114.03 3fq2 s LYS 92 Ca 0.43 -0.18 -0.12 0.00 0.02 0.00 0.00 55.97 56.11 3fq2 s LYS 92 Cb -0.06 0.14 0.03 0.00 -0.52 0.00 0.00 37.83 37.42 3fq2 s LYS 92 CO 0.27 -0.07 0.32 0.34 -0.92 0.00 0.00 175.35 175.29 3fq2 s ASP 93 N -0.80 -0.29 -0.03 2.83 2.15 0.08 -5.01 116.67 115.60 3fq2 s ASP 93 Ca -0.09 0.48 0.06 0.00 0.43 0.00 0.00 52.55 53.43 3fq2 s ASP 93 Cb -0.05 0.56 -0.01 0.00 -0.30 0.00 0.00 42.92 43.11 3fq2 s ASP 93 CO 0.01 -0.22 -0.22 -0.55 -0.17 0.00 0.00 175.17 174.03 3fq2 s SER 94 N -0.29 2.57 -0.04 -0.34 0.15 -1.26 0.43 113.70 114.91 3fq2 s SER 94 Ca -0.04 -0.40 0.06 0.00 0.70 0.00 0.00 55.95 56.26 3fq2 s SER 94 Cb -0.03 -0.39 -0.01 0.00 -1.71 0.00 0.00 66.02 63.87 3fq2 s SER 94 CO 0.02 0.25 -0.23 0.54 1.20 0.00 0.00 173.24 175.02 3fq2 s VAL 95 N -0.40 1.84 -0.11 4.45 0.11 -0.65 -4.92 120.40 120.72 3fq2 s VAL 95 Ca 0.05 -0.96 0.03 0.00 -2.93 0.00 0.00 61.98 58.18 3fq2 s VAL 95 Cb -0.09 -1.55 0.01 0.00 -1.53 0.00 0.00 36.38 33.21 3fq2 s VAL 95 CO 0.00 0.52 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.18 3fq2 s THR 96 N -0.22 1.97 0.24 5.04 2.01 -1.26 -0.99 115.64 122.44 3fq2 s THR 96 Ca -0.00 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.08 3fq2 s THR 96 Cb -0.12 -1.72 -0.05 0.00 0.01 0.00 0.00 72.50 70.62 3fq2 s THR 96 CO 0.02 0.54 0.02 0.72 -0.69 0.00 0.00 174.62 175.22 3fq2 s PHE 97 N 0.58 1.60 -0.10 4.92 -0.12 -0.39 -4.93 117.98 119.53 3fq2 s PHE 97 Ca -0.13 -0.96 -0.26 0.00 -0.05 0.00 0.00 56.93 55.52 3fq2 s PHE 97 Cb -0.17 -0.94 -0.02 0.00 -0.63 0.00 0.00 43.02 41.26 3fq2 s PHE 97 CO 0.04 -0.07 0.85 -0.51 -0.05 0.00 0.00 175.22 175.48 3fq2 s ASP 98 N -3.32 7.09 0.24 1.98 1.01 -1.26 -1.32 116.67 121.08 3fq2 s ASP 98 Ca 0.30 1.33 0.24 0.00 0.71 0.00 0.00 52.55 55.14 3fq2 s ASP 98 Cb 0.06 -2.48 0.93 0.00 1.01 0.00 0.00 42.92 42.44 3fq2 s ASP 98 CO 0.10 -0.30 1.73 0.52 0.21 0.00 0.00 175.17 177.43 3fq2 n VAL 99 N 4.29 0.74 0.29 -1.27 0.31 -0.49 -2.11 118.33 120.10 3fq2 n VAL 99 Ca 0.04 0.06 0.15 0.00 -0.01 0.00 0.00 64.34 64.59 3fq2 n VAL 99 Cb 0.50 -0.97 0.72 0.00 -0.91 0.00 0.00 33.84 33.17 3fq2 n VAL 99 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3fq2 h SER 100 N 0.00 0.00 0.68 4.52 4.64 -1.89 -0.33 113.55 121.17 3fq2 h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fq2 h SER 100 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3fq2 h SER 100 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3fq2 n LYS 101 N -2.61 0.10 -4.11 4.77 5.02 -0.90 -4.76 118.16 115.68 3fq2 n LYS 101 Ca -0.00 0.31 -0.34 0.00 -2.02 0.00 0.00 58.31 56.26 3fq2 n LYS 101 Cb 0.16 -1.69 -0.07 0.00 -0.02 0.00 0.00 35.03 33.41 3fq2 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fq2 s LEU 102 N -3.76 3.95 -0.24 -0.35 1.43 -0.14 -5.10 118.68 114.48 3fq2 s LEU 102 Ca 0.06 0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.37 3fq2 s LEU 102 Cb 0.10 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3fq2 s LEU 102 CO 0.35 0.32 -0.08 -0.75 0.23 0.00 0.00 176.35 176.43 3fq2 s LYS 103 N -1.44 2.86 0.26 1.70 2.47 -1.26 -5.05 119.74 119.29 3fq2 s LYS 103 Ca 0.20 -0.96 -0.28 0.00 -1.56 0.00 0.00 55.97 53.37 3fq2 s LYS 103 Cb -0.12 -2.94 -0.15 0.00 -1.46 0.00 0.00 37.83 33.16 3fq2 s LYS 103 CO 0.10 -0.38 0.81 -1.91 0.16 0.00 0.00 175.35 174.14 3fq2 n GLU 104 N 4.66 0.83 0.00 4.03 0.00 -1.26 -1.40 120.64 127.50 3fq2 n GLU 104 Ca -0.17 0.29 0.00 0.00 0.00 0.00 0.00 57.16 57.28 3fq2 n GLU 104 Cb 0.47 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.39 3fq2 n GLU 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3fq2 n GLY 105 N 1.53 2.86 3.85 8.31 0.00 -1.26 -5.06 105.19 115.41 3fq2 n GLY 105 Ca 0.13 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3fq2 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fq2 s GLU 106 N 0.00 3.97 -0.28 1.61 2.56 -0.49 -5.04 118.70 121.03 3fq2 s GLU 106 Ca 0.00 0.73 -0.14 0.00 0.00 0.00 0.00 54.97 55.55 3fq2 s GLU 106 Cb 0.00 -2.34 -0.04 0.00 2.00 0.00 0.00 34.13 33.76 3fq2 s GLU 106 CO 0.00 0.01 0.33 -1.14 -0.56 0.00 0.00 175.26 173.91 3fq2 s GLN 107 N -3.41 3.93 0.12 4.30 2.00 -1.26 -4.85 119.66 120.50 3fq2 s GLN 107 Ca 0.55 -0.10 0.06 0.00 -2.00 0.00 0.00 55.36 53.87 3fq2 s GLN 107 Cb -0.10 -3.68 -0.04 0.00 0.80 0.00 0.00 33.01 29.99 3fq2 s GLN 107 CO 0.22 -0.29 0.00 0.71 -0.50 0.00 0.00 175.29 175.43 3fq2 s TYR 108 N 2.00 2.94 0.05 1.67 2.02 -1.23 -0.23 117.35 124.56 3fq2 s TYR 108 Ca 0.13 -0.07 0.06 0.00 -0.37 0.00 0.00 57.07 56.82 3fq2 s TYR 108 Cb -0.16 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.90 3fq2 s TYR 108 CO 0.10 0.49 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.75 3fq2 s MET 109 N -2.56 1.18 0.19 -0.62 -1.94 0.11 -2.38 119.30 113.29 3fq2 s MET 109 Ca 0.26 -0.89 0.08 0.00 -1.71 0.00 0.00 55.69 53.43 3fq2 s MET 109 Cb -0.11 -1.27 -0.04 0.00 2.01 0.00 0.00 34.83 35.42 3fq2 s MET 109 CO 0.18 0.32 -0.00 -0.59 -0.01 0.00 0.00 175.02 174.92 3fq2 s PHE 110 N -0.85 2.81 -0.06 -0.03 -0.12 0.39 -1.46 117.98 118.66 3fq2 s PHE 110 Ca 0.05 -0.16 -0.31 0.00 -0.05 0.00 0.00 56.93 56.46 3fq2 s PHE 110 Cb -0.09 -1.34 0.12 0.00 -0.63 0.00 0.00 43.02 41.08 3fq2 s PHE 110 CO 0.02 0.54 1.14 -0.59 -0.05 0.00 0.00 175.22 176.28 3fq2 s PHE 111 N -1.85 -0.14 -0.23 3.49 -0.12 -0.38 -0.56 117.98 118.20 3fq2 s PHE 111 Ca 0.28 0.02 -0.10 0.00 -0.05 0.00 0.00 56.93 57.08 3fq2 s PHE 111 Cb -0.09 0.55 -0.05 0.00 -0.63 0.00 0.00 43.02 42.80 3fq2 s PHE 111 CO 0.19 -0.37 0.15 0.34 -0.05 0.00 0.00 175.22 175.47 3fq2 s ASP 112 N -2.58 6.10 0.00 1.98 -1.08 -1.06 -0.15 116.67 119.88 3fq2 s ASP 112 Ca 0.10 0.13 0.22 0.00 -0.52 0.00 0.00 52.55 52.49 3fq2 s ASP 112 Cb 0.01 -2.09 0.49 0.00 -1.46 0.00 0.00 42.92 39.87 3fq2 s ASP 112 CO -0.04 0.10 1.43 0.35 0.52 0.00 0.00 175.17 177.53 3fq2 n THR 113 N 4.07 0.49 -1.74 1.71 -2.24 -1.26 -2.52 114.28 112.79 3fq2 n THR 113 Ca -0.15 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 3fq2 n THR 113 Cb 0.52 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 3fq2 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3fq2 n PHE 114 N 1.28 2.68 -1.69 4.78 7.35 -1.26 -4.39 117.46 126.22 3fq2 n PHE 114 Ca 0.19 0.41 -0.55 0.00 -0.76 0.00 0.00 57.45 56.74 3fq2 n PHE 114 Cb 0.55 -2.52 -0.07 0.00 0.35 0.00 0.00 39.48 37.80 3fq2 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3fq2 n PRO 115 N 1.20 1.33 0.00 -7.13 -0.02 -1.26 -1.26 135.00 127.86 3fq2 n PRO 115 Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3fq2 n PRO 115 Cb 0.37 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3fq2 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fq2 n GLY 116 N 3.97 2.27 0.16 -1.23 0.00 -1.26 -4.88 105.19 104.23 3fq2 n GLY 116 Ca 0.25 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.31 3fq2 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3fq2 h HIS 117 N 0.00 0.00 -1.26 1.61 3.86 -1.42 -2.77 115.15 115.17 3fq2 h HIS 117 Ca 0.00 0.00 0.36 0.00 -1.16 0.00 0.00 60.37 59.57 3fq2 h HIS 117 Cb 0.00 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.39 3fq2 h HIS 117 CO 0.00 0.42 0.87 1.03 0.86 0.00 0.00 177.93 181.11 3fq2 h SER 118 N 0.00 0.16 0.03 2.45 0.87 -1.66 0.13 113.55 115.52 3fq2 h SER 118 Ca -0.00 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 3fq2 h SER 118 Cb 1.22 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 3fq2 h SER 118 CO 0.05 -0.01 -0.33 0.00 -0.53 0.00 0.00 176.83 176.02 3fq2 h ALA 119 N 1.45 1.05 0.00 6.23 0.00 -1.83 -3.34 119.26 122.82 3fq2 h ALA 119 Ca 0.66 -0.38 -0.26 0.00 0.00 0.00 0.00 54.91 54.93 3fq2 h ALA 119 Cb 2.29 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.92 3fq2 h ALA 119 CO -0.15 0.59 -1.97 1.28 0.00 0.00 0.00 179.25 179.00 3fq2 n LEU 120 N -4.07 1.99 -4.14 0.00 4.77 -0.88 -4.88 117.00 109.78 3fq2 n LEU 120 Ca -0.01 -0.06 -0.37 0.00 -0.03 0.00 0.00 56.01 55.54 3fq2 n LEU 120 Cb 0.45 -0.29 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 3fq2 n LEU 120 CO 0.43 0.64 -0.17 0.12 -1.33 0.00 0.00 177.39 177.08 3fq2 s PHE 121 N -2.34 3.53 0.21 -1.77 2.19 0.41 -5.00 117.98 115.22 3fq2 s PHE 121 Ca -0.18 -2.26 -0.21 0.00 0.33 0.00 0.00 56.93 54.61 3fq2 s PHE 121 Cb 0.05 -3.12 0.04 0.00 -1.31 0.00 0.00 43.02 38.68 3fq2 s PHE 121 CO 0.45 -0.95 0.62 -1.59 1.83 0.00 0.00 175.22 175.59 3fq2 s LYS 122 N 1.19 1.48 -0.03 10.12 -2.85 -1.26 -2.55 119.74 125.85 3fq2 s LYS 122 Ca 0.06 -0.74 -0.29 0.00 -1.00 0.00 0.00 55.97 54.00 3fq2 s LYS 122 Cb -0.23 0.58 0.11 0.00 -2.06 0.00 0.00 37.83 36.23 3fq2 s LYS 122 CO -0.03 -0.66 1.30 0.20 0.10 0.00 0.00 175.35 176.26 3fq2 s GLY 123 N -2.84 -0.23 -0.07 0.59 0.00 0.28 -4.77 107.32 100.29 3fq2 s GLY 123 Ca 0.06 0.26 -0.06 0.00 0.00 0.00 0.00 44.72 44.99 3fq2 s GLY 123 CO -0.04 3.96 0.16 -0.51 0.00 0.00 0.00 173.10 176.68 3fq2 s THR 124 N -2.12 5.47 -0.05 0.90 -4.23 -1.05 -0.46 115.64 114.10 3fq2 s THR 124 Ca 0.25 0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.90 3fq2 s THR 124 Cb 0.01 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 3fq2 s THR 124 CO -0.02 0.51 -0.23 -0.22 -0.54 0.00 0.00 174.62 174.12 3fq2 s LEU 125 N -1.38 2.21 -0.01 4.79 0.20 -1.00 -1.24 118.68 122.24 3fq2 s LEU 125 Ca 0.20 -0.44 0.04 0.00 0.69 0.00 0.00 54.13 54.61 3fq2 s LEU 125 Cb -0.12 -1.41 -0.01 0.00 -0.43 0.00 0.00 46.19 44.22 3fq2 s LEU 125 CO 0.10 0.27 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.42 3fq2 s THR 126 N -0.30 0.97 -0.39 3.68 2.01 -0.67 -3.54 115.64 117.40 3fq2 s THR 126 Ca 0.01 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 3fq2 s THR 126 Cb -0.13 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.58 3fq2 s THR 126 CO 0.02 0.28 0.36 -0.22 -0.69 0.00 0.00 174.62 174.37 3fq2 s LEU 127 N -0.20 4.75 0.00 4.42 2.96 -1.26 -0.03 118.68 129.32 3fq2 s LEU 127 Ca 0.03 -0.56 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3fq2 s LEU 127 Cb -0.06 -2.29 0.00 0.00 0.50 0.00 0.00 46.19 44.34 3fq2 s LEU 127 CO -0.00 -0.44 0.42 0.29 -1.32 0.00 0.00 176.35 175.30