#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fpy s GLU 2 N 0.00 4.33 -0.18 0.00 2.02 -1.26 -4.93 118.70 118.68 3fpy s GLU 2 Ca 0.00 2.16 0.14 0.00 0.02 0.00 0.00 54.97 57.29 3fpy s GLU 2 Cb 0.00 -3.16 0.43 0.00 0.10 0.00 0.00 34.13 31.50 3fpy s GLU 2 CO 0.00 -0.33 1.20 0.00 0.02 0.00 0.00 175.26 176.15 3fpy s SER 4 N -3.09 -0.05 -0.04 0.00 1.04 -1.26 -1.23 113.70 109.07 3fpy s SER 4 Ca 0.39 -0.53 -0.06 0.00 0.48 0.00 0.00 55.95 56.23 3fpy s SER 4 Cb 0.38 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.93 3fpy s SER 4 CO -0.07 -0.82 0.14 0.54 0.98 0.00 0.00 173.24 174.02 3fpy s VAL 5 N -3.85 0.03 -0.21 5.02 0.11 -0.23 -4.94 120.40 116.33 3fpy s VAL 5 Ca 0.06 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 58.78 3fpy s VAL 5 Cb 0.03 -0.28 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 3fpy s VAL 5 CO -0.10 -0.12 0.18 -1.81 -3.33 0.00 0.00 175.10 169.93 3fpy s ASP 6 N -0.36 6.23 -0.04 3.54 1.01 -1.26 -1.02 116.67 124.76 3fpy s ASP 6 Ca -0.04 0.26 0.04 0.00 0.71 0.00 0.00 52.55 53.52 3fpy s ASP 6 Cb -0.03 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 41.78 3fpy s ASP 6 CO 0.01 0.12 -0.18 -0.63 0.21 0.00 0.00 175.17 174.70 3fpy s ILE 7 N 0.64 1.47 -0.06 0.77 1.01 0.23 -4.95 121.20 120.31 3fpy s ILE 7 Ca 0.10 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.03 3fpy s ILE 7 Cb -0.12 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 3fpy s ILE 7 CO 0.01 0.42 -0.09 -1.10 0.00 0.00 0.00 174.94 174.18 3fpy s GLN 8 N 0.04 2.66 -0.11 2.79 -0.21 -1.26 -1.00 119.66 122.56 3fpy s GLN 8 Ca -0.04 -0.60 0.03 0.00 0.02 0.00 0.00 55.36 54.77 3fpy s GLN 8 Cb -0.12 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 31.38 3fpy s GLN 8 CO 0.02 0.65 -0.21 0.20 -2.12 0.00 0.00 175.29 173.83 3fpy s GLY 9 N -0.81 1.26 0.00 3.09 0.00 -0.91 -1.93 107.32 108.01 3fpy s GLY 9 Ca 0.12 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3fpy s GLY 9 CO 0.01 -0.14 0.00 1.16 0.00 0.00 0.00 173.10 174.13 3fpy n ASN 10 N 3.77 0.38 -0.15 1.64 0.23 -0.93 -3.60 115.26 116.60 3fpy n ASN 10 Ca -0.20 -0.84 0.15 0.00 -0.53 0.00 0.00 54.58 53.16 3fpy n ASN 10 Cb 0.52 0.00 0.69 0.00 -2.08 0.00 0.00 39.78 38.91 3fpy n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3fpy n ASP 11 N -2.20 0.52 -1.59 0.53 8.00 -1.24 -3.35 116.55 117.23 3fpy n ASP 11 Ca 0.00 -0.84 0.08 0.00 0.71 0.00 0.00 54.79 54.74 3fpy n ASP 11 Cb 0.00 -0.05 0.36 0.00 -0.02 0.00 0.00 41.12 41.41 3fpy n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fpy n GLN 12 N -0.77 4.20 -2.76 -1.24 1.13 -1.26 -4.95 117.38 111.72 3fpy n GLN 12 Ca 0.18 -3.01 -0.13 0.00 -1.94 0.00 0.00 57.00 52.09 3fpy n GLN 12 Cb 0.25 -2.07 0.02 0.00 0.11 0.00 0.00 30.24 28.55 3fpy n GLN 12 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 3fpy n MET 13 N 0.49 -3.08 -4.63 -1.09 2.81 -1.21 -5.01 117.12 105.40 3fpy n MET 13 Ca 0.26 0.52 -0.24 0.00 -1.81 0.00 0.00 57.70 56.42 3fpy n MET 13 Cb 1.05 -4.55 -0.16 0.00 -0.71 0.00 0.00 33.22 28.84 3fpy n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3fpy s GLN 14 N -5.28 1.62 0.40 0.03 -0.21 -1.26 -4.46 119.66 110.51 3fpy s GLN 14 Ca 0.20 -0.46 -0.18 0.00 0.02 0.00 0.00 55.36 54.94 3fpy s GLN 14 Cb -0.09 -1.37 -0.10 0.00 1.00 0.00 0.00 33.01 32.45 3fpy s GLN 14 CO 0.24 0.10 0.87 -0.06 -2.12 0.00 0.00 175.29 174.33 3fpy s PHE 15 N 0.40 3.35 -2.09 0.91 0.08 -1.26 -2.19 117.98 117.19 3fpy s PHE 15 Ca -0.10 1.44 0.14 0.00 0.12 0.00 0.00 56.93 58.52 3fpy s PHE 15 Cb -0.13 -2.72 0.51 0.00 -0.57 0.00 0.00 43.02 40.11 3fpy s PHE 15 CO 0.03 -0.07 1.38 0.27 -0.10 0.00 0.00 175.22 176.72 3fpy n ASN 16 N -0.69 1.30 -3.89 1.36 6.94 -0.81 -4.72 115.26 114.75 3fpy n ASN 16 Ca 0.06 -1.83 -0.11 0.00 -0.02 0.00 0.00 54.58 52.68 3fpy n ASN 16 Cb 0.54 -0.13 -0.10 0.00 -2.36 0.00 0.00 39.78 37.73 3fpy n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 3fpy s THR 17 N -1.74 0.10 -0.33 5.53 -1.32 -1.26 -4.99 115.64 111.62 3fpy s THR 17 Ca 0.24 -0.80 0.07 0.00 -1.21 0.00 0.00 61.69 59.99 3fpy s THR 17 Cb 0.12 -0.54 0.17 0.00 -1.51 0.00 0.00 72.50 70.74 3fpy s THR 17 CO 0.18 -0.44 1.13 -0.46 -2.21 0.00 0.00 174.62 172.82 3fpy n ASN 18 N 1.27 2.49 -3.54 8.08 6.94 -1.26 -4.82 115.26 124.42 3fpy n ASN 18 Ca -0.22 -2.20 -0.07 0.00 -0.02 0.00 0.00 54.58 52.07 3fpy n ASN 18 Cb 0.56 -0.17 -0.08 0.00 -2.36 0.00 0.00 39.78 37.74 3fpy n ASN 18 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3fpy s ALA 19 N -1.36 -1.32 -0.09 -2.53 0.00 -1.26 -0.97 121.76 114.24 3fpy s ALA 19 Ca 0.14 1.47 0.03 0.00 0.00 0.00 0.00 51.96 53.61 3fpy s ALA 19 Cb 0.10 -1.52 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 3fpy s ALA 19 CO 0.06 -0.94 -0.18 0.42 0.00 0.00 0.00 175.76 175.12 3fpy s ILE 20 N 2.65 2.70 -0.18 0.00 1.01 0.26 -4.95 121.20 122.70 3fpy s ILE 20 Ca 0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 3fpy s ILE 20 Cb -0.13 -2.07 -0.02 0.00 0.01 0.00 0.00 42.46 40.25 3fpy s ILE 20 CO -0.15 0.56 -0.06 -0.89 0.00 0.00 0.00 174.94 174.40 3fpy s THR 21 N -0.08 3.51 -0.35 2.92 2.01 -1.26 -0.91 115.64 121.47 3fpy s THR 21 Ca -0.04 -0.48 -0.12 0.00 0.31 0.00 0.00 61.69 61.37 3fpy s THR 21 Cb -0.14 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.83 3fpy s THR 21 CO 0.04 0.47 0.22 -0.69 -0.69 0.00 0.00 174.62 173.97 3fpy s VAL 22 N 0.80 4.89 0.18 3.82 1.01 0.10 -4.94 120.40 126.26 3fpy s VAL 22 Ca -0.02 -0.53 -0.32 0.00 0.00 0.00 0.00 61.98 61.11 3fpy s VAL 22 Cb -0.15 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 3fpy s VAL 22 CO 0.02 -0.10 1.61 -0.62 0.00 0.00 0.00 175.10 176.00 3fpy s ASP 23 N 1.64 6.53 0.00 3.32 -1.08 -1.26 -1.45 116.67 124.36 3fpy s ASP 23 Ca 0.04 2.69 0.07 0.00 -0.52 0.00 0.00 52.55 54.83 3fpy s ASP 23 Cb -0.18 -2.60 0.28 0.00 -1.46 0.00 0.00 42.92 38.97 3fpy s ASP 23 CO 0.08 -0.87 1.20 1.17 0.52 0.00 0.00 175.17 177.27 3fpy n LYS 24 N 3.98 0.01 0.00 4.34 4.81 -0.53 -1.59 118.16 129.17 3fpy n LYS 24 Ca 0.14 0.37 0.13 0.00 -0.87 0.00 0.00 58.31 58.09 3fpy n LYS 24 Cb 0.38 -1.50 0.44 0.00 0.02 0.00 0.00 35.03 34.36 3fpy n LYS 24 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3fpy n SER 25 N -1.48 0.85 -4.73 3.14 3.41 -1.26 -4.81 113.62 108.73 3fpy n SER 25 Ca 0.02 -0.77 -0.41 0.00 -0.26 0.00 0.00 58.87 57.45 3fpy n SER 25 Cb 0.07 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.06 3fpy n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fpy h LYS 27 N 5.87 0.28 -5.94 0.00 1.79 -1.88 -3.43 116.57 113.27 3fpy h LYS 27 Ca -0.43 -0.48 -0.55 0.00 -2.18 0.00 0.00 60.65 57.01 3fpy h LYS 27 Cb 1.21 0.18 -0.14 0.00 -1.58 0.00 0.00 32.23 31.90 3fpy h LYS 27 CO 0.75 1.23 -0.74 1.14 -1.08 0.00 0.00 179.45 180.75 3fpy s GLN 28 N -2.54 1.57 -0.01 3.15 -2.07 -1.26 -0.64 119.66 117.86 3fpy s GLN 28 Ca -0.21 -1.73 0.00 0.00 -1.82 0.00 0.00 55.36 51.61 3fpy s GLN 28 Cb 0.06 -1.52 0.01 0.00 -1.09 0.00 0.00 33.01 30.47 3fpy s GLN 28 CO 0.78 0.25 0.01 0.12 -1.32 0.00 0.00 175.29 175.13 3fpy s PHE 29 N -2.70 0.05 -0.08 9.60 5.36 -0.22 -4.81 117.98 125.17 3fpy s PHE 29 Ca 0.28 0.05 0.03 0.00 -0.96 0.00 0.00 56.93 56.32 3fpy s PHE 29 Cb -0.02 -0.13 -0.02 0.00 -0.34 0.00 0.00 43.02 42.51 3fpy s PHE 29 CO 0.12 -0.04 -0.17 0.99 -1.46 0.00 0.00 175.22 174.66 3fpy s THR 30 N 0.47 2.74 -0.18 0.12 2.01 -0.37 -1.60 115.64 118.83 3fpy s THR 30 Ca -0.04 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 3fpy s THR 30 Cb -0.06 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.37 3fpy s THR 30 CO -0.01 0.56 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.66 3fpy s VAL 31 N -0.13 2.74 -0.38 3.82 1.01 -0.16 -1.07 120.40 126.23 3fpy s VAL 31 Ca -0.02 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3fpy s VAL 31 Cb -0.14 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3fpy s VAL 31 CO 0.04 0.49 0.28 0.20 0.00 0.00 0.00 175.10 176.11 3fpy s ASN 32 N 1.13 6.09 -0.16 3.32 0.01 -0.19 -1.35 114.94 123.79 3fpy s ASN 32 Ca 0.01 -0.67 -0.09 0.00 -0.71 0.00 0.00 52.86 51.40 3fpy s ASN 32 Cb -0.14 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.32 3fpy s ASN 32 CO -0.04 -0.36 0.14 -0.22 -1.51 0.00 0.00 177.10 175.11 3fpy s LEU 33 N 1.72 4.30 0.33 0.60 2.96 -0.05 0.74 118.68 129.27 3fpy s LEU 33 Ca 0.06 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 3fpy s LEU 33 Cb -0.18 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3fpy s LEU 33 CO 0.10 0.29 0.14 -0.94 -1.32 0.00 0.00 176.35 174.63 3fpy s SER 34 N -0.31 1.89 -0.40 3.68 1.04 -0.17 -1.44 113.70 117.99 3fpy s SER 34 Ca 0.12 -1.56 0.03 0.00 0.48 0.00 0.00 55.95 55.01 3fpy s SER 34 Cb -0.12 0.36 0.16 0.00 0.10 0.00 0.00 66.02 66.53 3fpy s SER 34 CO 0.01 -0.87 0.35 -2.28 0.98 0.00 0.00 173.24 171.43 3fpy s HIS 35 N -3.49 0.55 0.86 5.02 2.46 -1.20 -2.15 115.29 117.34 3fpy s HIS 35 Ca 0.33 -1.78 -0.13 0.00 0.47 0.00 0.00 55.06 53.96 3fpy s HIS 35 Cb 0.05 -0.73 0.07 0.00 -0.13 0.00 0.00 32.58 31.84 3fpy s HIS 35 CO 0.17 -0.89 0.88 -2.30 -2.47 0.00 0.00 174.74 170.13 3fpy n PRO 36 N 3.36 -0.06 0.00 2.88 -0.02 -1.24 -1.33 135.00 138.59 3fpy n PRO 36 Ca 0.22 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 3fpy n PRO 36 Cb 0.45 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3fpy n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpy n GLY 37 N 0.90 0.35 0.00 -1.23 0.00 -1.26 -3.65 105.19 100.30 3fpy n GLY 37 Ca 0.11 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3fpy n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fpy n ASN 38 N 0.13 1.48 -4.82 1.61 3.02 -1.26 -4.54 115.26 110.87 3fpy n ASN 38 Ca 0.00 -0.15 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 3fpy n ASN 38 Cb 0.00 0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 39.71 3fpy n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fpy s LEU 39 N -1.50 4.15 0.84 3.41 1.43 -1.26 -4.84 118.68 120.89 3fpy s LEU 39 Ca 0.00 1.48 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 3fpy s LEU 39 Cb 0.00 -4.04 0.09 0.00 0.03 0.00 0.00 46.19 42.27 3fpy s LEU 39 CO 0.00 -0.16 1.10 -2.16 0.23 0.00 0.00 176.35 175.37 3fpy s PRO 40 N -2.64 1.77 0.40 1.29 0.04 -1.26 -1.64 135.00 132.96 3fpy s PRO 40 Ca 0.52 0.59 0.13 0.00 0.04 0.00 0.00 61.00 62.28 3fpy s PRO 40 Cb -0.13 -1.89 0.97 0.00 0.04 0.00 0.00 34.50 33.50 3fpy s PRO 40 CO 0.18 -1.83 1.91 -0.22 0.04 0.00 0.00 177.00 177.08 3fpy h LYS 41 N -1.24 0.49 0.00 4.56 3.64 -1.86 -2.08 116.57 120.08 3fpy h LYS 41 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3fpy h LYS 41 Cb 1.28 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3fpy h LYS 41 CO 0.59 0.32 0.00 -2.95 -2.27 0.00 0.00 179.45 175.15 3fpy h ASN 42 N 0.51 0.00 0.00 4.20 -1.07 -1.95 -1.18 115.58 116.08 3fpy h ASN 42 Ca 0.39 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.71 3fpy h ASN 42 Cb 0.79 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.03 3fpy h ASN 42 CO -0.14 0.00 -1.31 1.33 0.07 0.00 0.00 177.43 177.38 3fpy n VAL 43 N -2.63 0.17 -2.64 6.14 0.24 -1.14 -4.81 118.33 113.66 3fpy n VAL 43 Ca 0.02 -0.17 0.01 0.00 -2.04 0.00 0.00 64.34 62.15 3fpy n VAL 43 Cb 0.28 -0.19 0.04 0.00 -1.47 0.00 0.00 33.84 32.49 3fpy n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 3fpy n MET 44 N -1.93 1.14 -2.04 7.34 0.00 -0.80 -5.05 117.12 115.79 3fpy n MET 44 Ca -0.04 -2.95 -0.40 0.00 0.00 0.00 0.00 57.70 54.30 3fpy n MET 44 Cb 0.39 -1.02 -0.01 0.00 0.00 0.00 0.00 33.22 32.58 3fpy n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3fpy s GLY 45 N -3.09 2.94 -0.01 -5.12 0.00 -0.45 -4.76 107.32 96.83 3fpy s GLY 45 Ca 0.31 1.26 0.05 0.00 0.00 0.00 0.00 44.72 46.33 3fpy s GLY 45 CO -0.09 1.86 -0.15 0.30 0.00 0.00 0.00 173.10 175.02 3fpy s HIS 46 N -1.24 1.33 0.52 1.90 3.76 -0.49 -4.69 115.29 116.38 3fpy s HIS 46 Ca 0.56 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.23 3fpy s HIS 46 Cb -0.39 -0.85 -0.00 0.00 1.11 0.00 0.00 32.58 32.45 3fpy s HIS 46 CO 0.50 -0.02 0.05 0.54 -0.85 0.00 0.00 174.74 174.97 3fpy s ASN 47 N -0.39 4.20 -0.20 1.40 2.20 -1.26 -1.07 114.94 119.83 3fpy s ASN 47 Ca 0.06 -1.61 -0.00 0.00 -0.94 0.00 0.00 52.86 50.36 3fpy s ASN 47 Cb -0.06 0.54 0.05 0.00 -2.00 0.00 0.00 41.25 39.78 3fpy s ASN 47 CO -0.00 -0.90 -0.05 0.86 -2.94 0.00 0.00 177.10 174.06 3fpy s TRP 48 N -2.87 2.01 -0.09 1.54 -0.00 -1.26 -3.94 118.94 114.34 3fpy s TRP 48 Ca 0.09 -1.38 0.03 0.00 -0.00 0.00 0.00 56.10 54.83 3fpy s TRP 48 Cb 0.01 -1.44 0.01 0.00 -0.00 0.00 0.00 33.47 32.05 3fpy s TRP 48 CO 0.05 -0.69 -0.17 0.08 -0.00 0.00 0.00 176.95 176.22 3fpy s VAL 49 N 1.53 1.54 -0.14 5.86 1.01 -0.02 -0.84 120.40 129.34 3fpy s VAL 49 Ca -0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3fpy s VAL 49 Cb -0.17 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 3fpy s VAL 49 CO -0.07 0.45 -0.01 -0.22 0.00 0.00 0.00 175.10 175.24 3fpy s LEU 50 N 0.63 3.43 0.29 3.92 2.96 0.02 -0.42 118.68 129.51 3fpy s LEU 50 Ca -0.14 -0.02 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 3fpy s LEU 50 Cb -0.16 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 3fpy s LEU 50 CO 0.04 0.24 0.45 -0.94 -1.32 0.00 0.00 176.35 174.82 3fpy s SER 51 N -0.03 0.42 0.87 3.68 1.04 -0.98 -0.19 113.70 118.50 3fpy s SER 51 Ca 0.03 -1.26 -0.11 0.00 0.48 0.00 0.00 55.95 55.08 3fpy s SER 51 Cb -0.13 0.61 0.12 0.00 0.10 0.00 0.00 66.02 66.72 3fpy s SER 51 CO 0.02 -1.20 1.17 0.42 0.98 0.00 0.00 173.24 174.63 3fpy s THR 52 N -3.51 2.07 0.21 2.02 -4.23 -1.26 -1.47 115.64 109.47 3fpy s THR 52 Ca 0.28 0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.72 3fpy s THR 52 Cb 0.00 -2.22 0.15 0.00 1.34 0.00 0.00 72.50 71.77 3fpy s THR 52 CO 0.15 -0.03 1.85 0.00 -0.54 0.00 0.00 174.62 176.05 3fpy h ALA 53 N -1.44 0.94 -0.10 3.99 0.00 -1.43 -2.15 119.26 119.06 3fpy h ALA 53 Ca -0.44 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 3fpy h ALA 53 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3fpy h ALA 53 CO 0.44 0.23 -0.08 0.00 0.00 0.00 0.00 179.25 179.83 3fpy h ALA 54 N 1.31 1.68 0.00 0.00 0.00 -1.91 -2.64 119.26 117.69 3fpy h ALA 54 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fpy h ALA 54 Cb 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fpy h ALA 54 CO -0.11 0.24 -0.36 -0.44 0.00 0.00 0.00 179.25 178.58 3fpy h ASP 55 N 0.14 0.00 -0.30 0.00 3.32 -1.76 -3.40 116.42 114.42 3fpy h ASP 55 Ca 0.03 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.03 3fpy h ASP 55 Cb 0.24 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.73 3fpy h ASP 55 CO 0.01 0.06 -0.12 -0.03 -1.72 0.00 0.00 179.24 177.44 3fpy h MET 56 N 0.00 -0.06 -0.56 3.56 1.85 -1.05 -1.93 114.93 116.73 3fpy h MET 56 Ca 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.19 3fpy h MET 56 Cb 0.76 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.73 3fpy h MET 56 CO 0.00 -0.04 0.16 0.37 -0.40 0.00 0.00 176.91 177.00 3fpy h GLN 57 N -0.06 0.31 -0.09 0.39 4.15 -1.78 -0.63 115.11 117.41 3fpy h GLN 57 Ca 0.15 -0.02 -0.17 0.00 0.77 0.00 0.00 58.65 59.38 3fpy h GLN 57 Cb 0.30 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3fpy h GLN 57 CO -0.35 0.21 -0.68 0.78 -1.93 0.00 0.00 178.83 176.86 3fpy h GLY 58 N 0.32 0.41 1.00 2.39 0.00 -1.76 -0.71 103.07 104.71 3fpy h GLY 58 Ca 0.29 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3fpy h GLY 58 CO -0.33 0.49 0.13 -2.08 0.00 0.00 0.00 176.54 174.75 3fpy h VAL 59 N 0.26 1.25 -0.46 4.60 2.07 -0.95 -1.30 116.25 121.71 3fpy h VAL 59 Ca -0.02 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.53 3fpy h VAL 59 Cb 1.23 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3fpy h VAL 59 CO 0.11 0.33 -0.02 0.58 0.02 0.00 0.00 177.57 178.59 3fpy h VAL 60 N 0.77 1.26 0.15 2.57 2.07 -0.95 0.15 116.25 122.28 3fpy h VAL 60 Ca 0.17 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3fpy h VAL 60 Cb 0.35 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3fpy h VAL 60 CO 0.00 0.38 -0.07 0.74 0.02 0.00 0.00 177.57 178.64 3fpy h THR 61 N 0.68 0.98 -0.45 2.57 2.02 -1.04 -0.86 112.91 116.80 3fpy h THR 61 Ca 0.13 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 3fpy h THR 61 Cb 0.53 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3fpy h THR 61 CO 0.03 0.14 0.01 0.44 0.37 0.00 0.00 175.52 176.51 3fpy h ASP 62 N -0.49 0.70 -0.17 4.18 3.32 -1.28 -3.06 116.42 119.61 3fpy h ASP 62 Ca -0.02 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 3fpy h ASP 62 Cb 0.39 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3fpy h ASP 62 CO 0.03 0.76 0.04 1.23 -1.72 0.00 0.00 179.24 179.58 3fpy h GLY 63 N 0.95 0.29 2.00 2.75 0.00 -0.56 -2.97 103.07 105.52 3fpy h GLY 63 Ca 0.14 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3fpy h GLY 63 CO 0.02 0.17 -0.07 1.98 0.00 0.00 0.00 176.54 178.64 3fpy h MET 64 N 0.07 0.00 0.00 4.80 1.85 -1.15 -1.26 114.93 119.24 3fpy h MET 64 Ca 0.05 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 3fpy h MET 64 Cb 0.27 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.30 3fpy h MET 64 CO 0.00 0.07 0.00 0.00 -0.40 0.00 0.00 176.91 176.58 3fpy n ALA 65 N -2.50 2.29 0.02 0.39 0.00 -1.15 -4.10 120.51 115.45 3fpy n ALA 65 Ca -0.03 -0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.35 3fpy n ALA 65 Cb 0.15 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 3fpy n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3fpy n SER 66 N -1.31 0.46 0.00 0.00 7.64 -0.47 -5.06 113.62 114.87 3fpy n SER 66 Ca 0.11 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.18 3fpy n SER 66 Cb 0.22 0.97 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 3fpy n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fpy n GLY 67 N 1.34 1.79 0.37 0.23 0.00 -1.24 -4.15 105.19 103.52 3fpy n GLY 67 Ca -0.08 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.22 3fpy n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fpy h LEU 68 N 0.00 0.70 -1.47 0.99 5.85 -1.93 -1.20 115.31 118.25 3fpy h LEU 68 Ca 0.00 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3fpy h LEU 68 Cb 0.00 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 3fpy h LEU 68 CO 0.00 0.37 -0.03 0.44 -0.34 0.00 0.00 178.44 178.88 3fpy h ASP 69 N 0.75 0.00 -0.32 1.25 3.32 -2.02 0.07 116.42 119.47 3fpy h ASP 69 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3fpy h ASP 69 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3fpy h ASP 69 CO -0.20 0.03 0.00 0.29 -1.72 0.00 0.00 179.24 177.64 3fpy n LYS 70 N -3.14 1.91 -2.02 3.56 4.01 -0.60 -4.94 118.16 116.94 3fpy n LYS 70 Ca 0.00 -1.40 -0.18 0.00 -0.51 0.00 0.00 58.31 56.23 3fpy n LYS 70 Cb 0.31 -1.36 -0.04 0.00 -0.51 0.00 0.00 35.03 33.43 3fpy n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3fpy n ASP 71 N 0.62 -4.94 -3.40 4.39 9.92 0.01 -2.41 116.55 120.73 3fpy n ASP 71 Ca 0.15 0.22 -0.24 0.00 -0.53 0.00 0.00 54.79 54.40 3fpy n ASP 71 Cb 0.36 -4.27 0.06 0.00 -0.64 0.00 0.00 41.12 36.64 3fpy n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3fpy n TYR 72 N -3.08 -2.55 -4.70 1.24 4.01 -0.56 -4.78 117.16 106.74 3fpy n TYR 72 Ca -0.20 0.84 -0.23 0.00 -0.16 0.00 0.00 57.90 58.15 3fpy n TYR 72 Cb 0.63 -4.82 -0.15 0.00 -0.31 0.00 0.00 39.34 34.68 3fpy n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fpy s LEU 73 N -7.10 2.02 0.21 7.72 1.43 -1.01 -4.08 118.68 117.87 3fpy s LEU 73 Ca 0.49 -0.27 -0.31 0.00 -1.03 0.00 0.00 54.13 53.01 3fpy s LEU 73 Cb -0.22 -0.77 -0.10 0.00 0.03 0.00 0.00 46.19 45.13 3fpy s LEU 73 CO 0.61 0.18 1.51 -0.75 0.23 0.00 0.00 176.35 178.12 3fpy s LYS 74 N -0.33 4.24 0.59 1.70 2.20 -1.26 -4.84 119.74 122.04 3fpy s LYS 74 Ca 0.05 2.34 -0.20 0.00 -0.36 0.00 0.00 55.97 57.80 3fpy s LYS 74 Cb -0.06 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.09 3fpy s LYS 74 CO -0.00 -0.52 1.26 -2.30 -0.36 0.00 0.00 175.35 173.43 3fpy n PRO 75 N 3.14 1.34 -3.95 4.03 -0.02 -1.26 -3.08 135.00 135.21 3fpy n PRO 75 Ca 0.10 0.51 -0.28 0.00 -2.02 0.00 0.00 63.50 61.81 3fpy n PRO 75 Cb 0.39 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3fpy n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fpy n ASP 76 N -1.24 -2.44 -4.56 2.55 8.00 -1.26 -4.90 116.55 112.70 3fpy n ASP 76 Ca 0.13 -0.90 -0.43 0.00 0.71 0.00 0.00 54.79 54.30 3fpy n ASP 76 Cb 0.46 -3.45 -0.04 0.00 -0.02 0.00 0.00 41.12 38.07 3fpy n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3fpy s ASP 77 N -3.83 6.48 0.08 -2.24 -1.08 -1.18 -4.89 116.67 110.01 3fpy s ASP 77 Ca 0.35 0.07 0.26 0.00 -0.52 0.00 0.00 52.55 52.71 3fpy s ASP 77 Cb -0.18 -2.45 1.02 0.00 -1.46 0.00 0.00 42.92 39.85 3fpy s ASP 77 CO 0.86 -1.09 1.82 -1.54 0.52 0.00 0.00 175.17 175.75 3fpy n SER 78 N 7.24 0.30 0.23 -0.34 3.41 -1.26 -2.80 113.62 120.40 3fpy n SER 78 Ca 0.06 0.53 0.15 0.00 -0.26 0.00 0.00 58.87 59.35 3fpy n SER 78 Cb 0.48 -0.61 0.52 0.00 -0.26 0.00 0.00 64.21 64.34 3fpy n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3fpy h ARG 79 N 0.00 0.00 -5.98 4.33 3.08 -1.98 -3.44 114.38 110.40 3fpy h ARG 79 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 3fpy h ARG 79 Cb 0.54 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.51 3fpy h ARG 79 CO 0.00 0.00 0.60 0.08 -1.07 0.00 0.00 179.97 179.58 3fpy s VAL 80 N -3.47 4.70 -0.05 2.04 1.01 -1.12 -4.43 120.40 119.08 3fpy s VAL 80 Ca 0.04 1.55 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 3fpy s VAL 80 Cb 0.08 -4.24 -0.27 0.00 0.00 0.00 0.00 36.38 31.95 3fpy s VAL 80 CO 0.55 -0.27 0.66 0.40 0.00 0.00 0.00 175.10 176.44 3fpy h ILE 81 N 5.58 0.92 -2.24 2.22 2.04 -0.88 -3.48 117.51 121.68 3fpy h ILE 81 Ca -0.22 -2.61 0.01 0.00 1.00 0.00 0.00 64.86 63.04 3fpy h ILE 81 Cb 1.08 2.64 -0.17 0.00 -0.74 0.00 0.00 36.82 39.62 3fpy h ILE 81 CO 0.94 0.80 0.32 0.00 0.00 0.00 0.00 178.15 180.21 3fpy s ALA 82 N -2.59 -1.77 0.04 1.87 0.00 -1.22 -5.00 121.76 113.08 3fpy s ALA 82 Ca -0.13 1.09 -0.27 0.00 0.00 0.00 0.00 51.96 52.65 3fpy s ALA 82 Cb 0.07 0.18 0.09 0.00 0.00 0.00 0.00 23.12 23.46 3fpy s ALA 82 CO 0.83 -0.53 0.77 -3.38 0.00 0.00 0.00 175.76 173.45 3fpy s HIS 83 N -2.24 -0.45 0.70 0.00 -3.43 -1.26 -0.80 115.29 107.81 3fpy s HIS 83 Ca -0.03 0.38 -0.05 0.00 -0.80 0.00 0.00 55.06 54.57 3fpy s HIS 83 Cb -0.01 0.53 0.08 0.00 -1.43 0.00 0.00 32.58 31.75 3fpy s HIS 83 CO -0.01 -0.64 0.99 0.95 -2.00 0.00 0.00 174.74 174.02 3fpy s THR 84 N -2.97 2.31 0.89 -5.38 -4.23 -0.02 -4.79 115.64 101.45 3fpy s THR 84 Ca 0.01 -0.39 -0.11 0.00 -1.18 0.00 0.00 61.69 60.02 3fpy s THR 84 Cb -0.01 -2.91 0.12 0.00 1.34 0.00 0.00 72.50 71.04 3fpy s THR 84 CO -0.08 0.00 1.10 0.29 -0.54 0.00 0.00 174.62 175.39 3fpy n LYS 85 N -2.85 -0.28 -2.43 3.99 5.02 -1.26 -4.54 118.16 115.80 3fpy n LYS 85 Ca 0.10 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.96 3fpy n LYS 85 Cb 0.60 -2.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 3fpy n LYS 85 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3fpy s LEU 86 N -5.88 4.38 0.10 -0.35 2.96 -1.26 -4.40 118.68 114.23 3fpy s LEU 86 Ca 0.68 2.03 0.04 0.00 -0.22 0.00 0.00 54.13 56.66 3fpy s LEU 86 Cb -0.25 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.83 3fpy s LEU 86 CO 0.57 -0.44 -0.11 0.27 -1.32 0.00 0.00 176.35 175.32 3fpy s ILE 87 N 0.90 1.01 0.07 6.68 -4.36 -0.23 -4.92 121.20 120.34 3fpy s ILE 87 Ca 0.58 -1.61 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 3fpy s ILE 87 Cb -0.29 -1.34 0.01 0.00 1.25 0.00 0.00 42.46 42.08 3fpy s ILE 87 CO 0.30 -0.50 0.05 0.61 0.24 0.00 0.00 174.94 175.64 3fpy n GLY 88 N 0.64 2.95 3.77 6.27 0.00 -1.26 -1.39 105.19 116.17 3fpy n GLY 88 Ca -0.17 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.27 3fpy n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fpy n SER 89 N -2.05 3.64 0.00 1.61 7.64 -0.65 -2.27 113.62 121.54 3fpy n SER 89 Ca -0.00 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3fpy n SER 89 Cb 0.08 -1.62 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 3fpy n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fpy n GLY 90 N 0.49 2.10 3.92 0.23 0.00 -0.44 -4.95 105.19 106.54 3fpy n GLY 90 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3fpy n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fpy s GLU 91 N -0.07 2.93 0.08 1.61 2.02 -0.96 -4.96 118.70 119.35 3fpy s GLU 91 Ca 0.00 -1.15 -0.10 0.00 0.02 0.00 0.00 54.97 53.74 3fpy s GLU 91 Cb 0.00 -2.65 0.01 0.00 0.10 0.00 0.00 34.13 31.58 3fpy s GLU 91 CO 0.00 0.09 0.23 -1.59 0.02 0.00 0.00 175.26 174.01 3fpy s LYS 92 N -4.08 0.85 -0.17 1.61 -2.85 -1.26 -3.22 119.74 110.61 3fpy s LYS 92 Ca 0.43 -0.84 -0.26 0.00 -1.00 0.00 0.00 55.97 54.30 3fpy s LYS 92 Cb -0.08 0.35 0.07 0.00 -2.06 0.00 0.00 37.83 36.11 3fpy s LYS 92 CO 0.29 -0.28 0.67 0.34 0.10 0.00 0.00 175.35 176.47 3fpy s ASP 93 N -2.68 -0.67 0.12 0.03 2.15 -0.52 -5.01 116.67 110.09 3fpy s ASP 93 Ca 0.02 1.10 0.10 0.00 0.43 0.00 0.00 52.55 54.20 3fpy s ASP 93 Cb 0.03 1.05 -0.04 0.00 -0.30 0.00 0.00 42.92 43.67 3fpy s ASP 93 CO -0.10 -0.37 -0.22 -0.44 -0.17 0.00 0.00 175.17 173.87 3fpy s SER 94 N -0.24 3.64 -0.00 -0.34 0.01 -1.26 -0.88 113.70 114.63 3fpy s SER 94 Ca -0.04 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 56.60 3fpy s SER 94 Cb -0.03 -0.40 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 3fpy s SER 94 CO 0.04 0.18 -0.09 0.54 0.41 0.00 0.00 173.24 174.32 3fpy s VAL 95 N -1.12 0.69 -0.07 3.43 0.11 -0.46 -4.91 120.40 118.08 3fpy s VAL 95 Ca 0.16 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.83 3fpy s VAL 95 Cb -0.10 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 3fpy s VAL 95 CO 0.08 0.16 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.96 3fpy s THR 96 N -0.27 1.46 0.17 5.04 2.01 -1.26 -0.99 115.64 121.81 3fpy s THR 96 Ca 0.03 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.35 3fpy s THR 96 Cb -0.04 -1.29 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 3fpy s THR 96 CO -0.00 0.43 0.00 0.72 -0.69 0.00 0.00 174.62 175.07 3fpy s PHE 97 N 0.39 1.21 -0.06 4.92 -0.12 -0.63 -4.93 117.98 118.75 3fpy s PHE 97 Ca -0.12 -1.02 -0.29 0.00 -0.05 0.00 0.00 56.93 55.45 3fpy s PHE 97 Cb -0.15 -0.69 -0.02 0.00 -0.63 0.00 0.00 43.02 41.53 3fpy s PHE 97 CO 0.05 -0.21 0.94 -0.51 -0.05 0.00 0.00 175.22 175.43 3fpy s ASP 98 N -3.17 7.24 0.27 1.98 1.01 -1.26 -1.06 116.67 121.68 3fpy s ASP 98 Ca 0.24 1.51 0.23 0.00 0.71 0.00 0.00 52.55 55.24 3fpy s ASP 98 Cb 0.06 -2.53 1.02 0.00 1.01 0.00 0.00 42.92 42.48 3fpy s ASP 98 CO 0.04 -0.32 1.69 0.52 0.21 0.00 0.00 175.17 177.32 3fpy n VAL 99 N 4.18 0.89 0.43 -1.27 0.31 0.18 -1.58 118.33 121.47 3fpy n VAL 99 Ca 0.06 0.36 0.11 0.00 -0.01 0.00 0.00 64.34 64.86 3fpy n VAL 99 Cb 0.50 -1.31 0.46 0.00 -0.91 0.00 0.00 33.84 32.58 3fpy n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3fpy n SER 100 N -2.24 0.54 0.28 4.52 3.41 -1.26 -1.37 113.62 117.49 3fpy n SER 100 Ca 0.01 0.63 0.18 0.00 -0.26 0.00 0.00 58.87 59.43 3fpy n SER 100 Cb 0.18 -0.75 0.85 0.00 -0.26 0.00 0.00 64.21 64.23 3fpy n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3fpy h LYS 101 N 0.00 0.00 -6.15 4.33 1.57 -1.69 -3.44 116.57 111.20 3fpy h LYS 101 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3fpy h LYS 101 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3fpy h LYS 101 CO 0.00 0.00 -0.38 -0.51 -0.57 0.00 0.00 179.45 177.99 3fpy s LEU 102 N -5.89 4.27 -0.05 2.94 1.43 -0.47 -5.11 118.68 115.80 3fpy s LEU 102 Ca -0.01 0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.44 3fpy s LEU 102 Cb 0.10 -3.08 0.01 0.00 0.03 0.00 0.00 46.19 43.25 3fpy s LEU 102 CO 0.46 0.00 -0.11 -0.75 0.23 0.00 0.00 176.35 176.19 3fpy s LYS 103 N -3.21 1.39 0.70 1.70 2.20 -1.26 -5.04 119.74 116.21 3fpy s LYS 103 Ca 0.37 -0.35 -0.14 0.00 -0.36 0.00 0.00 55.97 55.49 3fpy s LYS 103 Cb -0.11 -1.20 0.02 0.00 -1.51 0.00 0.00 37.83 35.03 3fpy s LYS 103 CO 0.29 0.04 1.13 -1.83 -0.36 0.00 0.00 175.35 174.62 3fpy s GLU 104 N 0.55 2.49 0.00 4.03 -1.05 -1.26 -2.89 118.70 120.57 3fpy s GLU 104 Ca -0.11 1.44 0.00 0.00 -0.15 0.00 0.00 54.97 56.15 3fpy s GLU 104 Cb -0.14 -1.91 0.00 0.00 -0.44 0.00 0.00 34.13 31.65 3fpy s GLU 104 CO 0.02 -1.50 0.00 0.41 0.95 0.00 0.00 175.26 175.14 3fpy n GLY 105 N -0.40 2.95 3.81 -3.83 0.00 -1.26 -5.03 105.19 101.42 3fpy n GLY 105 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3fpy n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fpy s GLU 106 N -0.13 4.34 -0.21 1.61 2.56 -1.14 -5.08 118.70 120.65 3fpy s GLU 106 Ca 0.00 1.02 -0.10 0.00 0.00 0.00 0.00 54.97 55.89 3fpy s GLU 106 Cb 0.00 -2.77 -0.05 0.00 2.00 0.00 0.00 34.13 33.31 3fpy s GLU 106 CO 0.00 0.31 0.14 -0.65 -0.56 0.00 0.00 175.26 174.50 3fpy s GLN 107 N -2.16 4.14 0.14 4.30 -1.52 -1.26 -4.80 119.66 118.50 3fpy s GLN 107 Ca 0.47 -0.24 0.09 0.00 -1.95 0.00 0.00 55.36 53.74 3fpy s GLN 107 Cb -0.16 -3.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.13 3fpy s GLN 107 CO 0.21 0.22 -0.18 0.71 -0.25 0.00 0.00 175.29 176.00 3fpy s TYR 108 N 0.59 2.51 0.02 0.91 2.02 -1.19 -1.18 117.35 121.02 3fpy s TYR 108 Ca 0.08 -0.28 0.06 0.00 -0.37 0.00 0.00 57.07 56.56 3fpy s TYR 108 Cb -0.12 -1.31 -0.02 0.00 -0.40 0.00 0.00 41.96 40.12 3fpy s TYR 108 CO 0.00 0.41 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.58 3fpy s MET 109 N -2.30 1.31 0.11 -0.62 -1.94 -0.54 -1.17 119.30 114.16 3fpy s MET 109 Ca 0.19 -0.76 0.04 0.00 -1.71 0.00 0.00 55.69 53.46 3fpy s MET 109 Cb -0.10 -1.33 -0.04 0.00 2.01 0.00 0.00 34.83 35.37 3fpy s MET 109 CO 0.10 0.35 0.06 -0.59 -0.01 0.00 0.00 175.02 174.94 3fpy s PHE 110 N -0.62 3.08 0.14 -0.03 -0.12 -0.44 -2.32 117.98 117.68 3fpy s PHE 110 Ca 0.06 0.00 -0.25 0.00 -0.05 0.00 0.00 56.93 56.69 3fpy s PHE 110 Cb -0.08 -1.54 0.06 0.00 -0.63 0.00 0.00 43.02 40.83 3fpy s PHE 110 CO 0.01 0.51 0.86 -0.59 -0.05 0.00 0.00 175.22 175.95 3fpy s PHE 111 N -1.49 -0.24 -0.20 3.49 -0.12 0.44 -0.90 117.98 118.96 3fpy s PHE 111 Ca 0.28 -0.05 -0.10 0.00 -0.05 0.00 0.00 56.93 57.02 3fpy s PHE 111 Cb -0.11 0.62 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 3fpy s PHE 111 CO 0.21 -0.84 0.13 0.34 -0.05 0.00 0.00 175.22 175.00 3fpy s ASP 112 N -2.81 6.20 0.00 1.98 2.15 -0.60 -0.84 116.67 122.74 3fpy s ASP 112 Ca 0.09 0.23 0.23 0.00 0.43 0.00 0.00 52.55 53.53 3fpy s ASP 112 Cb -0.02 -2.09 0.56 0.00 -0.30 0.00 0.00 42.92 41.07 3fpy s ASP 112 CO -0.01 0.18 1.46 0.35 -0.17 0.00 0.00 175.17 176.98 3fpy n THR 113 N 3.52 0.27 -1.73 1.71 -2.24 -1.26 -3.15 114.28 111.40 3fpy n THR 113 Ca -0.16 -0.52 -0.42 0.00 -2.27 0.00 0.00 64.05 60.68 3fpy n THR 113 Cb 0.52 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.56 3fpy n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3fpy n PHE 114 N 0.94 2.60 -1.66 4.78 7.35 -1.26 -4.21 117.46 126.00 3fpy n PHE 114 Ca 0.17 0.46 -0.51 0.00 -0.76 0.00 0.00 57.45 56.81 3fpy n PHE 114 Cb 0.49 -2.49 -0.06 0.00 0.35 0.00 0.00 39.48 37.77 3fpy n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3fpy n PRO 115 N 0.91 1.60 -0.23 -7.13 -0.02 -1.26 -0.78 135.00 128.09 3fpy n PRO 115 Ca 0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3fpy n PRO 115 Cb 0.37 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3fpy n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fpy n GLY 116 N 3.63 2.49 0.14 -1.23 0.00 -1.26 -4.90 105.19 104.06 3fpy n GLY 116 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.26 3fpy n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3fpy h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.21 -3.33 115.15 116.08 3fpy h HIS 117 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3fpy h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3fpy h HIS 117 CO 0.00 0.52 -0.02 0.66 0.86 0.00 0.00 177.93 179.95 3fpy h SER 118 N 0.00 0.00 0.09 2.45 4.64 -1.72 0.12 113.55 119.13 3fpy h SER 118 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3fpy h SER 118 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3fpy h SER 118 CO 0.07 0.02 -0.07 0.00 -0.87 0.00 0.00 176.83 175.97 3fpy h ALA 119 N 1.98 1.77 0.00 5.18 0.00 -1.90 -3.32 119.26 122.96 3fpy h ALA 119 Ca -0.00 -0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3fpy h ALA 119 Cb 0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3fpy h ALA 119 CO 0.00 0.09 -1.82 1.28 0.00 0.00 0.00 179.25 178.81 3fpy n LEU 120 N -4.29 2.35 -4.23 0.00 4.77 0.02 -4.81 117.00 110.81 3fpy n LEU 120 Ca -0.03 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.48 3fpy n LEU 120 Cb 0.16 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3fpy n LEU 120 CO 0.34 0.65 0.52 -0.76 -1.33 0.00 0.00 177.39 176.80 3fpy s LEU 121 N -5.63 6.02 0.23 2.23 1.43 0.20 -4.68 118.68 118.47 3fpy s LEU 121 Ca -0.17 -3.48 -0.14 0.00 -1.03 0.00 0.00 54.13 49.31 3fpy s LEU 121 Cb 0.05 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3fpy s LEU 121 CO 0.36 -0.29 0.49 -1.59 0.23 0.00 0.00 176.35 175.55 3fpy s LYS 122 N -1.03 1.48 0.03 1.70 -2.85 -1.26 -1.56 119.74 116.25 3fpy s LYS 122 Ca 0.27 -1.12 -0.15 0.00 -1.00 0.00 0.00 55.97 53.97 3fpy s LYS 122 Cb -0.10 0.49 0.05 0.00 -2.06 0.00 0.00 37.83 36.21 3fpy s LYS 122 CO -0.09 -0.62 0.70 0.41 0.10 0.00 0.00 175.35 175.84 3fpy n GLY 123 N -0.36 0.58 3.95 0.59 0.00 -0.08 -4.70 105.19 105.17 3fpy n GLY 123 Ca -0.05 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 3fpy n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3fpy s THR 124 N -2.15 5.25 -0.03 2.61 -4.23 -0.15 -1.32 115.64 115.62 3fpy s THR 124 Ca 0.16 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 3fpy s THR 124 Cb -0.01 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3fpy s THR 124 CO 0.01 -0.19 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.66 3fpy s LEU 125 N -3.53 1.25 -0.03 4.79 0.20 -0.31 -0.57 118.68 120.46 3fpy s LEU 125 Ca 0.34 -0.06 0.04 0.00 0.69 0.00 0.00 54.13 55.14 3fpy s LEU 125 Cb -0.10 -0.29 -0.00 0.00 -0.43 0.00 0.00 46.19 45.36 3fpy s LEU 125 CO 0.28 -0.08 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.24 3fpy s THR 126 N 0.95 1.16 -0.35 3.68 2.01 -0.09 -3.17 115.64 119.83 3fpy s THR 126 Ca -0.11 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 61.12 3fpy s THR 126 Cb -0.14 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.37 3fpy s THR 126 CO -0.01 0.34 0.63 -0.22 -0.69 0.00 0.00 174.62 174.67 3fpy s LEU 127 N 0.06 4.24 0.00 4.42 2.96 -1.26 0.01 118.68 129.11 3fpy s LEU 127 Ca -0.03 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 3fpy s LEU 127 Cb -0.10 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.82 3fpy s LEU 127 CO 0.01 -0.57 0.52 0.29 -1.32 0.00 0.00 176.35 175.29