#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e6z n GLU 10 N 0.00 -3.10 -2.21 2.12 0.00 -1.26 -5.14 120.64 111.05 3e6z n GLU 10 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.16 56.76 3e6z n GLU 10 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.41 3e6z n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3e6z s ALA 11 N -1.79 3.44 -0.14 -1.84 0.00 -1.26 -5.03 121.76 115.15 3e6z s ALA 11 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.12 3e6z s ALA 11 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 3e6z s ALA 11 CO 0.00 -0.52 -0.17 -0.65 0.00 0.00 0.00 175.76 174.42 3e6z s GLN 12 N -1.76 3.21 0.06 0.00 -1.52 -1.26 -5.07 119.66 113.32 3e6z s GLN 12 Ca 0.49 -0.77 -0.33 0.00 -1.95 0.00 0.00 55.36 52.79 3e6z s GLN 12 Cb -0.37 -2.54 -0.12 0.00 -0.22 0.00 0.00 33.01 29.75 3e6z s GLN 12 CO 0.49 0.10 1.75 -2.30 -0.25 0.00 0.00 175.29 175.07 3e6z n PRO 13 N 3.81 2.30 -0.06 2.91 -0.02 -1.26 -4.88 135.00 137.80 3e6z n PRO 13 Ca -0.19 0.84 -0.06 0.00 -2.02 0.00 0.00 63.50 62.06 3e6z n PRO 13 Cb 0.52 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 3e6z n PRO 13 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3e6z n GLN 14 N 5.11 0.38 -3.62 -0.52 -0.06 -1.26 -4.93 117.38 112.47 3e6z n GLN 14 Ca 0.19 0.15 -0.37 0.00 -2.00 0.00 0.00 57.00 54.97 3e6z n GLN 14 Cb 0.31 -1.15 -0.09 0.00 -4.06 0.00 0.00 30.24 25.25 3e6z n GLN 14 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 3e6z s VAL 15 N -2.41 5.34 -0.23 1.69 1.01 -1.26 -4.43 120.40 120.11 3e6z s VAL 15 Ca -0.21 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 3e6z s VAL 15 Cb 0.03 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3e6z s VAL 15 CO 0.30 0.33 0.13 -0.63 0.00 0.00 0.00 175.10 175.24 3e6z s ILE 16 N 1.10 5.16 -0.07 2.22 1.01 0.32 -4.93 121.20 126.02 3e6z s ILE 16 Ca 0.09 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.74 3e6z s ILE 16 Cb -0.14 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 3e6z s ILE 16 CO 0.05 0.37 0.27 -0.55 0.00 0.00 0.00 174.94 175.08 3e6z s SER 17 N 0.99 6.58 0.21 3.58 0.15 -1.26 -0.86 113.70 123.08 3e6z s SER 17 Ca 0.07 0.69 -0.15 0.00 0.70 0.00 0.00 55.95 57.25 3e6z s SER 17 Cb -0.13 -2.16 0.01 0.00 -1.71 0.00 0.00 66.02 62.03 3e6z s SER 17 CO 0.04 0.34 0.48 0.00 1.20 0.00 0.00 173.24 175.30 3e6z s ALA 18 N -0.90 -0.58 0.25 5.45 0.00 -0.06 -4.93 121.76 120.99 3e6z s ALA 18 Ca 0.19 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.68 3e6z s ALA 18 Cb -0.14 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 3e6z s ALA 18 CO 0.08 -0.81 -0.11 0.95 0.00 0.00 0.00 175.76 175.88 3e6z s THR 19 N -3.94 1.77 -0.13 0.00 -4.23 -1.26 -1.20 115.64 106.66 3e6z s THR 19 Ca 0.15 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3e6z s THR 19 Cb -0.00 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.56 3e6z s THR 19 CO 0.02 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.29 3e6z n GLY 20 N -0.51 -0.87 3.11 3.99 0.00 -0.40 -0.69 105.19 109.83 3e6z n GLY 20 Ca -0.06 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 3e6z n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e6z s VAL 21 N -3.00 1.46 0.01 1.61 1.01 -0.02 -0.47 120.40 121.01 3e6z s VAL 21 Ca 0.00 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 3e6z s VAL 21 Cb 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.05 3e6z s VAL 21 CO 0.00 0.42 1.34 -0.69 0.00 0.00 0.00 175.10 176.17 3e6z s VAL 22 N 0.31 3.79 -0.15 2.92 1.01 -0.34 -0.91 120.40 127.03 3e6z s VAL 22 Ca -0.11 1.20 0.11 0.00 0.00 0.00 0.00 61.98 63.19 3e6z s VAL 22 Cb -0.14 -3.77 -0.17 0.00 0.00 0.00 0.00 36.38 32.29 3e6z s VAL 22 CO 0.04 0.02 0.01 0.29 0.00 0.00 0.00 175.10 175.47 3e6z n LYS 23 N 4.95 1.41 -3.63 2.72 4.76 0.77 0.01 118.16 129.16 3e6z n LYS 23 Ca 0.12 0.01 -0.16 0.00 -2.87 0.00 0.00 58.31 55.41 3e6z n LYS 23 Cb 0.44 -1.38 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 3e6z n LYS 23 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3e6z s GLY 24 N -4.97 -0.39 -0.08 0.72 0.00 -0.92 -4.85 107.32 96.81 3e6z s GLY 24 Ca -0.10 0.91 -0.01 0.00 0.00 0.00 0.00 44.72 45.52 3e6z s GLY 24 CO 0.57 0.62 -0.01 -0.42 0.00 0.00 0.00 173.10 173.86 3e6z s ILE 25 N -1.19 0.50 -0.33 0.90 1.01 -1.26 -0.55 121.20 120.28 3e6z s ILE 25 Ca -0.12 0.04 0.02 0.00 0.00 0.00 0.00 60.65 60.60 3e6z s ILE 25 Cb -0.02 -0.63 0.10 0.00 0.01 0.00 0.00 42.46 41.91 3e6z s ILE 25 CO 0.07 0.28 0.06 -0.62 0.00 0.00 0.00 174.94 174.73 3e6z s ASP 26 N 1.92 4.52 0.00 3.58 -1.08 0.09 -4.97 116.67 120.73 3e6z s ASP 26 Ca 0.05 -1.98 0.17 0.00 -0.52 0.00 0.00 52.55 50.27 3e6z s ASP 26 Cb -0.12 -1.38 0.95 0.00 -1.46 0.00 0.00 42.92 40.91 3e6z s ASP 26 CO -0.06 -0.39 1.62 0.18 0.52 0.00 0.00 175.17 177.04 3e6z n LEU 27 N 4.44 0.13 -0.02 -1.34 4.77 -1.26 -0.66 117.00 123.05 3e6z n LEU 27 Ca 0.02 -0.06 -0.22 0.00 -0.03 0.00 0.00 56.01 55.73 3e6z n LEU 27 Cb 0.42 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 3e6z n LEU 27 CO 0.19 0.03 -0.80 1.21 -1.33 0.00 0.00 177.39 176.69 3e6z n GLU 28 N -0.67 0.72 0.00 3.23 2.13 -1.26 -4.32 120.64 120.47 3e6z n GLU 28 Ca 0.13 0.31 0.12 0.00 0.66 0.00 0.00 57.16 58.38 3e6z n GLU 28 Cb 0.08 -1.70 0.26 0.00 0.27 0.00 0.00 31.44 30.34 3e6z n GLU 28 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3e6z n SER 29 N -3.66 0.77 -2.98 4.31 3.41 -1.21 -4.97 113.62 109.30 3e6z n SER 29 Ca -0.33 -0.57 -0.15 0.00 -0.26 0.00 0.00 58.87 57.56 3e6z n SER 29 Cb 0.97 0.28 0.07 0.00 -0.26 0.00 0.00 64.21 65.27 3e6z n SER 29 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3e6z n LYS 30 N -1.15 -5.54 -4.60 4.33 4.76 0.16 -4.93 118.16 111.20 3e6z n LYS 30 Ca 0.08 0.69 -0.25 0.00 -2.87 0.00 0.00 58.31 55.95 3e6z n LYS 30 Cb 0.34 -5.24 -0.17 0.00 -1.84 0.00 0.00 35.03 28.13 3e6z n LYS 30 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3e6z s LYS 31 N -5.24 1.79 -0.21 1.97 -0.14 -0.56 -1.06 119.74 116.30 3e6z s LYS 31 Ca 0.07 -0.44 -0.03 0.00 -1.36 0.00 0.00 55.97 54.20 3e6z s LYS 31 Cb -0.03 -1.48 -0.01 0.00 -1.68 0.00 0.00 37.83 34.64 3e6z s LYS 31 CO 0.59 0.02 -0.06 0.42 -0.76 0.00 0.00 175.35 175.56 3e6z s ILE 32 N 0.69 3.21 -0.25 2.17 1.01 0.50 -0.73 121.20 127.80 3e6z s ILE 32 Ca -0.14 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.77 3e6z s ILE 32 Cb -0.16 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 3e6z s ILE 32 CO 0.04 0.44 0.55 -0.89 0.00 0.00 0.00 174.94 175.08 3e6z s THR 33 N 1.42 5.05 -0.05 2.92 2.01 0.29 -0.51 115.64 126.77 3e6z s THR 33 Ca 0.05 0.97 0.04 0.00 0.31 0.00 0.00 61.69 63.06 3e6z s THR 33 Cb -0.14 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.51 3e6z s THR 33 CO -0.04 0.09 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.17 3e6z s ILE 34 N 2.22 1.47 -0.53 1.82 1.01 -0.14 -0.16 121.20 126.89 3e6z s ILE 34 Ca 0.23 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.99 3e6z s ILE 34 Cb -0.16 -1.27 0.09 0.00 0.01 0.00 0.00 42.46 41.13 3e6z s ILE 34 CO 0.09 0.42 0.58 -2.28 0.00 0.00 0.00 174.94 173.76 3e6z s HIS 35 N 0.19 3.10 0.24 3.97 5.65 -0.09 -1.04 115.29 127.32 3e6z s HIS 35 Ca -0.08 -0.86 -0.17 0.00 0.25 0.00 0.00 55.06 54.20 3e6z s HIS 35 Cb -0.13 -3.65 -0.08 0.00 -1.18 0.00 0.00 32.58 27.54 3e6z s HIS 35 CO 0.03 -1.06 0.69 -3.38 -0.65 0.00 0.00 174.74 170.37 3e6z s HIS 36 N 2.28 3.55 0.92 3.88 -0.00 0.17 -0.84 115.29 125.25 3e6z s HIS 36 Ca 0.10 1.25 -0.11 0.00 -0.00 0.00 0.00 55.06 56.30 3e6z s HIS 36 Cb -0.23 -2.53 0.15 0.00 -0.00 0.00 0.00 32.58 29.96 3e6z s HIS 36 CO 0.08 0.27 1.09 -0.51 -0.00 0.00 0.00 174.74 175.67 3e6z s ASP 37 N -1.89 3.11 0.48 7.38 1.01 0.14 -2.21 116.67 124.69 3e6z s ASP 37 Ca 0.46 1.69 -0.22 0.00 0.71 0.00 0.00 52.55 55.19 3e6z s ASP 37 Cb -0.14 -2.33 -0.09 0.00 1.01 0.00 0.00 42.92 41.37 3e6z s ASP 37 CO 0.20 -2.90 0.93 -2.65 0.21 0.00 0.00 175.17 170.96 3e6z n PRO 38 N -4.07 1.12 -3.95 8.23 -0.02 -1.26 -4.57 135.00 130.49 3e6z n PRO 38 Ca 0.08 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 3e6z n PRO 38 Cb 0.54 -2.03 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 3e6z n PRO 38 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3e6z s ILE 39 N -1.39 2.67 0.19 4.25 1.01 -0.12 -4.87 121.20 122.93 3e6z s ILE 39 Ca 0.67 -1.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.37 3e6z s ILE 39 Cb -0.51 -2.72 0.11 0.00 0.01 0.00 0.00 42.46 39.35 3e6z s ILE 39 CO 0.54 -0.34 1.79 0.00 0.00 0.00 0.00 174.94 176.93 3e6z h ALA 40 N 7.85 0.75 0.00 9.38 0.00 -1.92 -1.37 119.26 133.95 3e6z h ALA 40 Ca -0.14 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3e6z h ALA 40 Cb 1.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3e6z h ALA 40 CO 0.55 -0.04 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 3e6z h ALA 41 N 1.31 1.68 -0.19 0.00 0.00 -1.94 -1.73 119.26 118.38 3e6z h ALA 41 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3e6z h ALA 41 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3e6z h ALA 41 CO -0.17 0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.48 3e6z n VAL 42 N -4.14 1.00 -3.85 0.00 0.24 -1.12 -5.00 118.33 105.46 3e6z n VAL 42 Ca -0.03 -1.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.03 3e6z n VAL 42 Cb 0.14 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 3e6z n VAL 42 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3e6z n ASN 43 N 0.05 -1.02 -4.81 -1.34 3.02 -0.65 -4.97 115.26 105.54 3e6z n ASN 43 Ca 0.06 -0.95 -0.35 0.00 -0.03 0.00 0.00 54.58 53.31 3e6z n ASN 43 Cb 0.35 -3.41 -0.07 0.00 -0.61 0.00 0.00 39.78 36.04 3e6z n ASN 43 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3e6z s ALA 44 N -3.83 3.68 0.95 5.41 0.00 -0.60 -4.98 121.76 122.39 3e6z s ALA 44 Ca 0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.18 3e6z s ALA 44 Cb -0.02 -1.76 0.12 0.00 0.00 0.00 0.00 23.12 21.46 3e6z s ALA 44 CO 0.86 0.64 0.72 -0.35 0.00 0.00 0.00 175.76 177.63 3e6z n PRO 45 N 1.76 -0.60 -1.73 0.00 -0.04 -1.26 -0.95 135.00 132.17 3e6z n PRO 45 Ca -0.17 -1.19 -0.42 0.00 -0.04 0.00 0.00 63.50 61.67 3e6z n PRO 45 Cb 0.54 -0.71 -0.01 0.00 -0.04 0.00 0.00 33.50 33.28 3e6z n PRO 45 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3e6z n GLU 46 N -2.50 2.49 -3.63 0.54 4.71 -1.26 -4.36 120.64 116.63 3e6z n GLU 46 Ca 0.09 0.88 -0.15 0.00 -0.01 0.00 0.00 57.16 57.97 3e6z n GLU 46 Cb 0.32 -2.60 -0.07 0.00 -1.01 0.00 0.00 31.44 28.08 3e6z n GLU 46 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 177.13 178.63 3e6z s MET 47 N -1.04 0.90 -0.19 3.49 1.75 -0.94 -4.98 119.30 118.29 3e6z s MET 47 Ca 0.61 -0.04 -0.16 0.00 -1.25 0.00 0.00 55.69 54.84 3e6z s MET 47 Cb -0.53 0.41 -0.04 0.00 2.84 0.00 0.00 34.83 37.51 3e6z s MET 47 CO 0.54 -0.28 0.42 0.99 -0.65 0.00 0.00 175.02 176.04 3e6z s THR 48 N -1.55 5.19 0.13 10.11 2.01 -1.26 -0.66 115.64 129.62 3e6z s THR 48 Ca -0.11 0.76 -0.05 0.00 0.31 0.00 0.00 61.69 62.60 3e6z s THR 48 Cb -0.02 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 3e6z s THR 48 CO 0.05 0.26 0.15 -0.04 -0.69 0.00 0.00 174.62 174.35 3e6z s MET 49 N 1.22 0.98 -0.18 4.92 -1.94 -0.21 -4.98 119.30 119.12 3e6z s MET 49 Ca 0.20 -1.26 -0.13 0.00 -1.71 0.00 0.00 55.69 52.79 3e6z s MET 49 Cb -0.15 0.30 -0.05 0.00 2.01 0.00 0.00 34.83 36.95 3e6z s MET 49 CO 0.08 -0.31 0.28 1.03 -0.01 0.00 0.00 175.02 176.09 3e6z s ARG 50 N -3.98 4.22 -0.01 2.03 0.52 -1.26 -0.96 118.95 119.51 3e6z s ARG 50 Ca 0.18 0.04 0.07 0.00 -0.52 0.00 0.00 55.73 55.50 3e6z s ARG 50 Cb 0.06 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 3e6z s ARG 50 CO -0.01 0.18 -0.23 -0.06 0.02 0.00 0.00 175.30 175.20 3e6z s PHE 51 N 0.65 2.43 -0.19 -0.53 0.08 0.34 -4.38 117.98 116.38 3e6z s PHE 51 Ca 0.15 -0.36 -0.09 0.00 0.12 0.00 0.00 56.93 56.76 3e6z s PHE 51 Cb -0.13 -1.50 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 3e6z s PHE 51 CO 0.04 0.07 0.09 0.99 -0.10 0.00 0.00 175.22 176.31 3e6z s THR 52 N -0.70 5.07 -0.20 0.64 2.01 0.30 -0.37 115.64 122.40 3e6z s THR 52 Ca 0.11 0.07 -0.22 0.00 0.31 0.00 0.00 61.69 61.96 3e6z s THR 52 Cb -0.10 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 3e6z s THR 52 CO 0.00 0.46 0.68 -0.63 -0.69 0.00 0.00 174.62 174.44 3e6z s ILE 53 N 0.33 4.98 0.45 1.82 1.01 -0.22 -0.80 121.20 128.77 3e6z s ILE 53 Ca 0.05 1.30 0.07 0.00 0.00 0.00 0.00 60.65 62.07 3e6z s ILE 53 Cb -0.12 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 3e6z s ILE 53 CO -0.01 0.08 0.27 0.42 0.00 0.00 0.00 174.94 175.71 3e6z s THR 54 N 2.03 2.19 0.42 2.92 -4.23 -1.26 -4.88 115.64 112.83 3e6z s THR 54 Ca 0.31 -1.57 0.40 0.00 -1.18 0.00 0.00 61.69 59.64 3e6z s THR 54 Cb -0.16 -2.77 0.41 0.00 1.34 0.00 0.00 72.50 71.33 3e6z s THR 54 CO 0.11 0.00 2.21 -0.65 -0.54 0.00 0.00 174.62 175.74 3e6z h PRO 55 N 1.17 0.00 0.00 3.99 0.11 -1.97 -1.65 132.00 133.65 3e6z h PRO 55 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3e6z h PRO 55 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3e6z h PRO 55 CO 0.64 0.00 -0.35 1.04 -0.21 0.00 0.00 178.00 179.12 3e6z n GLN 56 N -3.02 0.20 -2.02 1.05 1.13 -1.26 -4.90 117.38 108.57 3e6z n GLN 56 Ca -0.02 0.10 -0.42 0.00 -1.94 0.00 0.00 57.00 54.72 3e6z n GLN 56 Cb 0.14 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 28.80 3e6z n GLN 56 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3e6z s THR 57 N -3.10 2.75 -0.77 5.09 2.01 -0.62 -4.91 115.64 116.08 3e6z s THR 57 Ca 0.09 0.59 -0.21 0.00 0.31 0.00 0.00 61.69 62.48 3e6z s THR 57 Cb 0.14 -3.38 0.10 0.00 0.01 0.00 0.00 72.50 69.38 3e6z s THR 57 CO 0.66 0.08 1.02 -0.54 -0.69 0.00 0.00 174.62 175.14 3e6z s LYS 58 N 0.16 3.32 0.71 4.92 -0.14 0.02 -4.92 119.74 123.82 3e6z s LYS 58 Ca 0.62 -1.28 -0.11 0.00 -1.36 0.00 0.00 55.97 53.83 3e6z s LYS 58 Cb -0.41 -4.54 0.02 0.00 -1.68 0.00 0.00 37.83 31.21 3e6z s LYS 58 CO 0.39 -1.78 1.08 -1.64 -0.76 0.00 0.00 175.35 172.64 3e6z s MET 59 N 3.35 2.80 0.21 1.68 -1.94 -1.26 -2.56 119.30 121.58 3e6z s MET 59 Ca 0.26 0.58 -0.21 0.00 -1.71 0.00 0.00 55.69 54.61 3e6z s MET 59 Cb -0.12 -2.01 0.04 0.00 2.01 0.00 0.00 34.83 34.75 3e6z s MET 59 CO 0.01 -1.10 0.62 -1.54 -0.01 0.00 0.00 175.02 173.00 3e6z s SER 60 N -4.19 -0.37 -0.24 3.03 1.04 -1.19 -4.93 113.70 106.85 3e6z s SER 60 Ca 0.58 -0.36 -0.33 0.00 0.48 0.00 0.00 55.95 56.33 3e6z s SER 60 Cb -0.12 0.64 -0.09 0.00 0.10 0.00 0.00 66.02 66.55 3e6z s SER 60 CO 0.53 -1.13 2.13 1.21 0.98 0.00 0.00 173.24 176.96 3e6z n GLU 61 N -0.40 1.64 -4.13 4.02 4.07 -1.26 -4.78 120.64 119.81 3e6z n GLU 61 Ca -0.10 0.50 -0.09 0.00 -0.06 0.00 0.00 57.16 57.40 3e6z n GLU 61 Cb 0.62 -2.77 -0.10 0.00 -0.06 0.00 0.00 31.44 29.13 3e6z n GLU 61 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 3e6z s ILE 62 N 6.88 0.39 0.11 6.31 -4.36 -1.26 -4.52 121.20 124.75 3e6z s ILE 62 Ca 1.03 -1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 59.43 3e6z s ILE 62 Cb -0.64 -1.65 0.01 0.00 1.25 0.00 0.00 42.46 41.43 3e6z s ILE 62 CO 0.45 -0.89 0.27 -1.59 0.24 0.00 0.00 174.94 173.43 3e6z s LYS 63 N -3.90 0.94 0.43 0.37 -2.85 -1.26 -5.09 119.74 108.37 3e6z s LYS 63 Ca 0.11 -0.88 -0.25 0.00 -1.00 0.00 0.00 55.97 53.95 3e6z s LYS 63 Cb 0.07 0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 36.14 3e6z s LYS 63 CO -0.07 -0.33 1.30 0.25 0.10 0.00 0.00 175.35 176.61 3e6z n THR 64 N -0.13 2.60 -0.14 3.79 -2.24 -1.26 -1.65 114.28 115.25 3e6z n THR 64 Ca -0.15 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3e6z n THR 64 Cb 0.63 -1.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 3e6z n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e6z n GLY 65 N 0.77 2.15 3.78 3.38 0.00 0.10 -4.99 105.19 110.38 3e6z n GLY 65 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 3e6z n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3e6z s ASP 66 N -3.50 6.29 -0.20 1.61 1.01 -0.66 -4.72 116.67 116.51 3e6z s ASP 66 Ca 0.00 2.08 -0.27 0.00 0.71 0.00 0.00 52.55 55.07 3e6z s ASP 66 Cb 0.00 -2.58 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 3e6z s ASP 66 CO 0.00 -0.82 0.94 -0.75 0.21 0.00 0.00 175.17 174.75 3e6z s LYS 67 N -2.95 4.28 0.16 8.23 2.47 -1.26 -1.20 119.74 129.47 3e6z s LYS 67 Ca 0.65 1.19 0.08 0.00 -1.56 0.00 0.00 55.97 56.34 3e6z s LYS 67 Cb -0.22 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.50 3e6z s LYS 67 CO 0.26 -0.48 -0.18 0.14 0.16 0.00 0.00 175.35 175.25 3e6z s VAL 68 N 2.68 1.80 -0.09 4.02 -7.23 0.38 0.10 120.40 122.06 3e6z s VAL 68 Ca 0.41 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 3e6z s VAL 68 Cb -0.16 -1.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.95 3e6z s VAL 68 CO 0.10 -0.29 -0.15 0.00 -0.31 0.00 0.00 175.10 174.44 3e6z s ALA 69 N -1.97 2.56 0.13 1.32 0.00 -0.22 -1.27 121.76 122.31 3e6z s ALA 69 Ca 0.15 -0.94 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 3e6z s ALA 69 Cb -0.06 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.04 3e6z s ALA 69 CO 0.06 0.37 0.37 -0.59 0.00 0.00 0.00 175.76 175.98 3e6z s PHE 70 N -0.07 -0.08 -0.00 0.00 -0.71 -0.34 -1.69 117.98 115.08 3e6z s PHE 70 Ca -0.03 -0.26 0.03 0.00 -1.04 0.00 0.00 56.93 55.62 3e6z s PHE 70 Cb -0.14 0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 41.86 3e6z s PHE 70 CO 0.04 -0.70 -0.09 -0.80 -1.34 0.00 0.00 175.22 172.32 3e6z s ASN 71 N -2.84 1.06 0.15 1.98 0.01 -0.86 -0.88 114.94 113.55 3e6z s ASN 71 Ca 0.05 -0.17 -0.09 0.00 -0.71 0.00 0.00 52.86 51.93 3e6z s ASN 71 Cb 0.02 -0.11 -0.00 0.00 0.41 0.00 0.00 41.25 41.56 3e6z s ASN 71 CO -0.10 0.10 0.28 0.72 -1.51 0.00 0.00 177.10 176.59 3e6z s PHE 72 N -0.24 0.30 -0.02 2.20 -0.71 -0.04 -0.30 117.98 119.16 3e6z s PHE 72 Ca 0.03 -0.68 0.07 0.00 -1.04 0.00 0.00 56.93 55.31 3e6z s PHE 72 Cb -0.04 -0.03 -0.02 0.00 -1.21 0.00 0.00 43.02 41.73 3e6z s PHE 72 CO -0.00 -0.69 -0.22 0.14 -1.34 0.00 0.00 175.22 173.11 3e6z s VAL 73 N -3.93 1.78 -0.00 -2.49 -7.23 -0.04 -0.52 120.40 107.97 3e6z s VAL 73 Ca 0.14 -0.95 -0.22 0.00 -1.81 0.00 0.00 61.98 59.13 3e6z s VAL 73 Cb 0.03 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 3e6z s VAL 73 CO -0.03 0.50 0.64 -1.58 -0.31 0.00 0.00 175.10 174.32 3e6z s GLN 74 N -0.43 4.37 -0.41 4.82 2.00 -1.26 -0.38 119.66 128.37 3e6z s GLN 74 Ca 0.06 0.81 0.01 0.00 -2.00 0.00 0.00 55.36 54.25 3e6z s GLN 74 Cb -0.10 -3.36 0.14 0.00 0.80 0.00 0.00 33.01 30.49 3e6z s GLN 74 CO -0.00 0.31 0.23 -1.14 -0.50 0.00 0.00 175.29 174.18 3e6z s GLN 75 N -0.02 1.00 7.84 1.67 0.74 0.38 -4.97 119.66 126.30 3e6z s GLN 75 Ca 0.33 -1.75 0.00 0.00 0.05 0.00 0.00 55.36 54.00 3e6z s GLN 75 Cb -0.19 -1.94 0.00 0.00 1.10 0.00 0.00 33.01 31.98 3e6z s GLN 75 CO 0.18 -1.18 0.00 0.41 -0.55 0.00 0.00 175.29 174.15 3e6z n GLY 76 N 3.74 3.53 0.03 2.59 0.00 -1.26 -1.40 105.19 112.42 3e6z n GLY 76 Ca 0.10 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3e6z n GLY 76 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3e6z n ASN 77 N 6.61 0.24 -4.86 1.61 4.13 -1.26 -4.86 115.26 116.88 3e6z n ASN 77 Ca 0.00 0.53 -0.34 0.00 1.68 0.00 0.00 54.58 56.44 3e6z n ASN 77 Cb 0.00 -0.59 -0.06 0.00 -1.54 0.00 0.00 39.78 37.59 3e6z n ASN 77 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3e6z s LEU 78 N -3.47 4.31 -0.36 3.41 1.43 -0.49 -5.06 118.68 118.44 3e6z s LEU 78 Ca 0.12 0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 54.13 3e6z s LEU 78 Cb 0.16 -3.23 0.09 0.00 0.03 0.00 0.00 46.19 43.24 3e6z s LEU 78 CO 0.51 0.10 0.11 -0.44 0.23 0.00 0.00 176.35 176.86 3e6z s SER 79 N -1.87 5.05 -0.17 2.29 0.01 -1.26 -0.47 113.70 117.28 3e6z s SER 79 Ca 0.38 -1.85 -0.22 0.00 1.31 0.00 0.00 55.95 55.57 3e6z s SER 79 Cb -0.14 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.31 3e6z s SER 79 CO 0.19 -0.43 0.69 -0.76 0.41 0.00 0.00 173.24 173.34 3e6z s LEU 80 N 1.12 4.18 0.06 2.44 1.43 0.49 -0.54 118.68 127.86 3e6z s LEU 80 Ca 0.05 0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 53.81 3e6z s LEU 80 Cb -0.21 -3.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 3e6z s LEU 80 CO -0.04 -0.28 1.23 -0.76 0.23 0.00 0.00 176.35 176.74 3e6z s LEU 81 N 1.79 4.36 -0.00 1.79 1.43 0.02 -0.86 118.68 127.22 3e6z s LEU 81 Ca 0.32 2.05 -0.19 0.00 -1.03 0.00 0.00 54.13 55.28 3e6z s LEU 81 Cb -0.16 -3.58 -0.28 0.00 0.03 0.00 0.00 46.19 42.20 3e6z s LEU 81 CO 0.12 -0.51 1.03 1.56 0.23 0.00 0.00 176.35 178.77 3e6z h GLN 82 N 6.87 0.42 -2.42 1.70 1.08 -1.00 -3.34 115.11 118.42 3e6z h GLN 82 Ca -0.41 -0.55 0.09 0.00 -1.45 0.00 0.00 58.65 56.33 3e6z h GLN 82 Cb 1.21 0.18 -0.14 0.00 -0.05 0.00 0.00 27.48 28.68 3e6z h GLN 82 CO 0.83 1.22 0.44 0.16 -0.95 0.00 0.00 178.83 180.52 3e6z s ASP 83 N -6.98 -0.38 -0.23 1.46 1.47 -1.17 -0.80 116.67 110.04 3e6z s ASP 83 Ca -0.12 -0.05 -0.24 0.00 1.18 0.00 0.00 52.55 53.32 3e6z s ASP 83 Cb 0.03 0.44 0.07 0.00 -0.34 0.00 0.00 42.92 43.11 3e6z s ASP 83 CO 0.85 -0.72 0.67 -0.51 0.68 0.00 0.00 175.17 176.14 3e6z s ILE 84 N -3.26 0.00 0.08 2.11 2.07 -1.06 -2.04 121.20 119.10 3e6z s ILE 84 Ca 0.05 -0.01 -0.13 0.00 -1.41 0.00 0.00 60.65 59.15 3e6z s ILE 84 Cb -0.01 -0.94 0.02 0.00 0.13 0.00 0.00 42.46 41.66 3e6z s ILE 84 CO -0.08 -0.00 0.31 -1.59 -1.91 0.00 0.00 174.94 171.66 3e6z s LYS 85 N 0.20 0.90 0.34 3.50 -2.85 -0.68 -3.17 119.74 117.99 3e6z s LYS 85 Ca -0.01 -0.68 -0.28 0.00 -1.00 0.00 0.00 55.97 54.00 3e6z s LYS 85 Cb -0.04 0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 36.02 3e6z s LYS 85 CO 0.02 -0.31 1.28 0.08 0.10 0.00 0.00 175.35 176.52 3e6z s VAL 86 N -3.26 2.79 0.28 1.79 1.01 -1.26 -1.05 120.40 120.70 3e6z s VAL 86 Ca -0.00 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.79 3e6z s VAL 86 Cb 0.01 -3.48 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 3e6z s VAL 86 CO -0.08 0.17 0.02 -0.94 0.00 0.00 0.00 175.10 174.27 3e6z s SER 87 N -0.59 2.24 0.00 3.32 1.04 0.28 -4.67 113.70 115.32 3e6z s SER 87 Ca 0.50 -1.29 0.30 0.00 0.48 0.00 0.00 55.95 55.94 3e6z s SER 87 Cb -0.38 -0.06 1.79 0.00 0.10 0.00 0.00 66.02 67.46 3e6z s SER 87 CO 0.51 -0.53 2.12 1.67 0.98 0.00 0.00 173.24 177.99