#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e17 s ILE 2 N 0.00 0.96 -0.06 2.02 -4.36 -1.26 -5.14 121.20 113.36 3e17 s ILE 2 Ca 0.00 -1.29 -0.08 0.00 -0.26 0.00 0.00 60.65 59.01 3e17 s ILE 2 Cb 0.00 -0.99 -0.05 0.00 1.25 0.00 0.00 42.46 42.67 3e17 s ILE 2 CO 0.00 -0.30 0.23 -0.83 0.24 0.00 0.00 174.94 174.28 3e17 s GLY 3 N -1.79 2.25 -0.05 6.27 0.00 -1.26 -5.10 107.32 107.65 3e17 s GLY 3 Ca -0.03 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.17 3e17 s GLY 3 CO 0.02 -0.28 -0.07 0.14 0.00 0.00 0.00 173.10 172.91 3e17 s VAL 4 N -1.12 0.72 -0.17 1.40 1.01 -1.26 -5.13 120.40 115.85 3e17 s VAL 4 Ca 0.21 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3e17 s VAL 4 Cb -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 36.38 35.55 3e17 s VAL 4 CO 0.10 0.27 -0.20 -0.22 0.00 0.00 0.00 175.10 175.05 3e17 s LEU 5 N 0.93 2.08 -0.14 3.92 2.96 -1.26 -5.11 118.68 122.07 3e17 s LEU 5 Ca -0.11 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.15 3e17 s LEU 5 Cb -0.15 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3e17 s LEU 5 CO 0.00 -0.00 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.22 3e17 s LEU 6 N 1.28 3.16 -0.10 -0.68 1.43 -1.26 -5.11 118.68 117.41 3e17 s LEU 6 Ca 0.04 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3e17 s LEU 6 Cb -0.13 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.37 3e17 s LEU 6 CO -0.12 0.20 -0.08 -0.32 0.23 0.00 0.00 176.35 176.26 3e17 s MET 7 N 0.14 1.50 0.52 1.70 1.75 -1.26 -5.13 119.30 118.53 3e17 s MET 7 Ca -0.02 -0.27 -0.16 0.00 -1.25 0.00 0.00 55.69 53.98 3e17 s MET 7 Cb -0.14 -1.49 -0.08 0.00 2.84 0.00 0.00 34.83 35.97 3e17 s MET 7 CO 0.03 -0.19 0.99 0.15 -0.65 0.00 0.00 175.02 175.35 3e17 s LYS 8 N 1.44 3.92 0.27 4.11 1.02 -1.26 -4.99 119.74 124.25 3e17 s LYS 8 Ca -0.00 0.94 -0.20 0.00 0.02 0.00 0.00 55.97 56.72 3e17 s LYS 8 Cb -0.13 -2.13 0.05 0.00 -0.52 0.00 0.00 37.83 35.10 3e17 s LYS 8 CO -0.05 -0.29 0.85 -1.54 -0.92 0.00 0.00 175.35 173.40 3e17 s SER 9 N -3.16 -0.10 0.37 2.83 1.04 -1.07 -5.02 113.70 108.59 3e17 s SER 9 Ca 0.59 -0.78 0.26 0.00 0.48 0.00 0.00 55.95 56.50 3e17 s SER 9 Cb -0.10 0.68 1.34 0.00 0.10 0.00 0.00 66.02 68.05 3e17 s SER 9 CO 0.33 -1.32 1.79 0.03 0.98 0.00 0.00 173.24 175.06 3e17 h ARG 10 N 2.00 0.00 -0.02 4.02 3.08 -2.02 -0.42 114.38 121.02 3e17 h ARG 10 Ca -0.26 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.70 3e17 h ARG 10 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 3e17 h ARG 10 CO 0.32 0.00 -0.39 0.00 -1.07 0.00 0.00 179.97 178.84 3e17 h ALA 11 N 2.04 1.33 -0.90 0.04 0.00 -1.99 -3.44 119.26 116.34 3e17 h ALA 11 Ca 0.00 -0.36 0.15 0.00 0.00 0.00 0.00 54.91 54.70 3e17 h ALA 11 Cb 0.08 -0.07 -0.21 0.00 0.00 0.00 0.00 17.79 17.59 3e17 h ALA 11 CO 0.00 0.50 -0.03 1.21 0.00 0.00 0.00 179.25 180.92 3e17 s ASN 12 N -6.92 -0.91 0.00 0.00 3.84 -0.17 -5.02 114.94 105.75 3e17 s ASN 12 Ca -0.03 0.76 0.24 0.00 0.21 0.00 0.00 52.86 54.03 3e17 s ASN 12 Cb 0.14 1.84 0.34 0.00 -0.55 0.00 0.00 41.25 43.02 3e17 s ASN 12 CO 0.73 -0.17 1.35 -0.62 -2.79 0.00 0.00 177.10 175.60 3e17 n GLU 13 N 5.36 2.44 -3.69 0.43 -0.58 -1.22 -2.61 120.64 120.77 3e17 n GLU 13 Ca -0.06 -2.14 -0.39 0.00 -0.42 0.00 0.00 57.16 54.16 3e17 n GLU 13 Cb 0.52 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.77 3e17 n GLU 13 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3e17 s GLU 14 N -1.70 2.93 0.23 3.49 2.12 -1.26 -4.96 118.70 119.55 3e17 s GLU 14 Ca 0.35 -0.98 -0.07 0.00 0.36 0.00 0.00 54.97 54.62 3e17 s GLU 14 Cb 0.22 -3.53 0.26 0.00 0.26 0.00 0.00 34.13 31.33 3e17 s GLU 14 CO 0.31 -0.57 1.88 1.88 -0.54 0.00 0.00 175.26 178.22 3e17 h TYR 15 N 8.31 1.04 -3.52 5.30 0.05 -2.00 -3.47 116.97 122.69 3e17 h TYR 15 Ca -0.28 0.03 -0.20 0.00 0.05 0.00 0.00 58.73 58.33 3e17 h TYR 15 Cb 1.11 -0.35 0.07 0.00 1.01 0.00 0.00 36.73 38.58 3e17 h TYR 15 CO 0.60 0.60 -0.35 0.41 -1.05 0.00 0.00 178.16 178.37 3e17 n GLY 16 N -1.33 0.17 2.88 3.88 0.00 -1.26 -5.00 105.19 104.53 3e17 n GLY 16 Ca 0.11 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.65 3e17 n GLY 16 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3e17 s LEU 17 N -4.25 1.63 -0.23 0.99 2.96 -1.26 -5.12 118.68 113.40 3e17 s LEU 17 Ca 0.29 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.42 3e17 s LEU 17 Cb -0.13 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.63 3e17 s LEU 17 CO 0.38 -0.20 0.08 -0.60 -1.32 0.00 0.00 176.35 174.69 3e17 s ARG 18 N 1.64 3.81 0.14 1.98 3.52 -1.26 -5.10 118.95 123.69 3e17 s ARG 18 Ca 0.00 -0.41 -0.00 0.00 -0.13 0.00 0.00 55.73 55.19 3e17 s ARG 18 Cb -0.16 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3e17 s ARG 18 CO -0.08 -0.00 0.32 -0.51 -0.81 0.00 0.00 175.30 174.22 3e17 s LEU 19 N 1.14 4.29 0.36 -0.88 1.43 -1.26 -5.13 118.68 118.63 3e17 s LEU 19 Ca 0.05 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.52 3e17 s LEU 19 Cb -0.14 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 3e17 s LEU 19 CO 0.04 0.05 0.10 -0.83 0.23 0.00 0.00 176.35 175.93 3e17 s GLY 20 N -2.91 2.29 0.15 -3.19 0.00 -1.26 -5.11 107.32 97.29 3e17 s GLY 20 Ca 0.37 -1.62 0.09 0.00 0.00 0.00 0.00 44.72 43.56 3e17 s GLY 20 CO 0.28 -1.79 -0.21 -1.35 0.00 0.00 0.00 173.10 170.03 3e17 s SER 21 N -3.52 2.80 0.05 1.64 1.04 -1.26 -4.97 113.70 109.48 3e17 s SER 21 Ca 0.30 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 55.98 3e17 s SER 21 Cb 0.05 -0.17 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 3e17 s SER 21 CO 0.15 0.04 -0.13 0.00 0.98 0.00 0.00 173.24 174.28 3e17 s GLN 22 N -2.42 0.77 -0.08 4.02 -2.07 -1.26 -0.86 119.66 117.77 3e17 s GLN 22 Ca 0.13 -0.84 -0.15 0.00 -1.82 0.00 0.00 55.36 52.69 3e17 s GLN 22 Cb -0.08 -0.73 -0.05 0.00 -1.09 0.00 0.00 33.01 31.06 3e17 s GLN 22 CO 0.06 0.17 0.38 0.42 -1.32 0.00 0.00 175.29 174.99 3e17 s ILE 23 N -1.14 5.17 0.14 3.63 -1.09 -1.26 -5.02 121.20 121.63 3e17 s ILE 23 Ca -0.03 0.75 0.01 0.00 -2.23 0.00 0.00 60.65 59.15 3e17 s ILE 23 Cb -0.09 -3.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 3e17 s ILE 23 CO 0.02 0.47 0.00 0.72 -1.23 0.00 0.00 174.94 174.92 3e17 s PHE 24 N -0.28 1.02 -0.61 3.97 -0.71 -1.26 -0.97 117.98 119.12 3e17 s PHE 24 Ca 0.22 -1.07 -0.28 0.00 -1.04 0.00 0.00 56.93 54.76 3e17 s PHE 24 Cb -0.15 -0.59 0.03 0.00 -1.21 0.00 0.00 43.02 41.10 3e17 s PHE 24 CO 0.10 -0.30 1.20 0.08 -1.34 0.00 0.00 175.22 174.96 3e17 s VAL 25 N -3.78 3.96 -0.09 -2.49 1.01 0.20 -4.88 120.40 114.33 3e17 s VAL 25 Ca 0.21 0.78 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 3e17 s VAL 25 Cb 0.06 -4.76 -0.24 0.00 0.00 0.00 0.00 36.38 31.44 3e17 s VAL 25 CO 0.01 -1.45 0.98 0.50 0.00 0.00 0.00 175.10 175.14 3e17 h LYS 26 N 9.64 0.00 -2.77 2.72 1.63 -1.93 0.24 116.57 126.11 3e17 h LYS 26 Ca -0.26 -0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.44 3e17 h LYS 26 Cb 1.06 0.00 -0.20 0.00 -0.60 0.00 0.00 32.23 32.48 3e17 h LYS 26 CO 1.20 0.79 -0.17 -2.00 -3.45 0.00 0.00 179.45 175.83 3e17 s GLU 27 N -3.06 0.72 -0.13 1.90 2.12 -1.26 -4.69 118.70 114.30 3e17 s GLU 27 Ca -0.18 0.03 0.03 0.00 0.36 0.00 0.00 54.97 55.21 3e17 s GLU 27 Cb -0.01 0.33 0.00 0.00 0.26 0.00 0.00 34.13 34.71 3e17 s GLU 27 CO 0.68 -0.19 -0.21 -1.64 -0.54 0.00 0.00 175.26 173.36 3e17 s MET 28 N -1.04 3.07 0.64 4.30 -1.94 -1.26 -5.06 119.30 118.00 3e17 s MET 28 Ca -0.11 -0.84 -0.15 0.00 -1.71 0.00 0.00 55.69 52.88 3e17 s MET 28 Cb -0.04 -2.42 -0.01 0.00 2.01 0.00 0.00 34.83 34.37 3e17 s MET 28 CO 0.05 0.06 1.08 0.95 -0.01 0.00 0.00 175.02 177.15 3e17 s THR 29 N 0.64 3.62 0.48 2.05 -4.23 -1.26 -4.92 115.64 112.03 3e17 s THR 29 Ca -0.11 0.72 0.16 0.00 -1.18 0.00 0.00 61.69 61.29 3e17 s THR 29 Cb -0.16 -3.27 0.23 0.00 1.34 0.00 0.00 72.50 70.64 3e17 s THR 29 CO 0.02 -0.50 2.08 0.03 -0.54 0.00 0.00 174.62 175.71 3e17 h ARG 30 N 0.08 0.00 0.00 3.99 3.08 -2.01 -3.15 114.38 116.37 3e17 h ARG 30 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3e17 h ARG 30 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3e17 h ARG 30 CO 0.56 0.09 -0.99 0.25 -1.07 0.00 0.00 179.97 178.82 3e17 n THR 31 N -4.35 0.00 -1.93 2.04 -2.24 -1.26 -4.78 114.28 101.75 3e17 n THR 31 Ca -0.03 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.45 3e17 n THR 31 Cb 0.17 0.94 0.06 0.00 -2.10 0.00 0.00 70.33 69.40 3e17 n THR 31 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3e17 s GLY 32 N -3.03 1.62 0.36 3.38 0.00 -1.19 -4.92 107.32 103.54 3e17 s GLY 32 Ca 0.08 -0.47 0.07 0.00 0.00 0.00 0.00 44.72 44.39 3e17 s GLY 32 CO 0.86 -0.07 1.90 1.41 0.00 0.00 0.00 173.10 177.20 3e17 h LEU 33 N -0.74 0.37 -0.19 0.66 3.38 -1.95 -2.24 115.31 114.59 3e17 h LEU 33 Ca -0.45 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 57.49 3e17 h LEU 33 Cb 1.28 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 3e17 h LEU 33 CO 0.64 0.47 -0.07 0.00 0.09 0.00 0.00 178.44 179.57 3e17 h ALA 34 N 1.58 0.10 -0.06 1.53 0.00 -1.94 0.89 119.26 121.37 3e17 h ALA 34 Ca 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3e17 h ALA 34 Cb 0.33 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3e17 h ALA 34 CO 0.01 -0.50 0.02 1.15 0.00 0.00 0.00 179.25 179.94 3e17 h THR 35 N -0.03 1.15 -0.96 0.00 2.02 -1.72 -2.75 112.91 110.62 3e17 h THR 35 Ca 0.10 -0.45 0.06 0.00 0.77 0.00 0.00 66.41 66.89 3e17 h THR 35 Cb 0.18 1.34 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 3e17 h THR 35 CO -0.22 0.13 0.63 0.50 0.37 0.00 0.00 175.52 176.93 3e17 h LYS 36 N -0.07 1.11 -0.42 6.66 3.64 -1.20 -2.14 116.57 124.16 3e17 h LYS 36 Ca 0.02 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 3e17 h LYS 36 Cb 0.18 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3e17 h LYS 36 CO -0.00 0.74 -0.13 0.22 -2.27 0.00 0.00 179.45 178.00 3e17 h ASP 37 N 1.15 0.76 0.00 4.20 3.58 -0.76 -3.47 116.42 121.87 3e17 h ASP 37 Ca 0.40 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.62 3e17 h ASP 37 Cb 0.13 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 40.97 3e17 h ASP 37 CO -0.15 0.91 0.00 0.61 -2.88 0.00 0.00 179.24 177.73 3e17 n GLY 38 N -0.40 1.06 0.14 -0.78 0.00 -0.81 -4.88 105.19 99.52 3e17 n GLY 38 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 3e17 n GLY 38 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3e17 h ASN 39 N 0.00 0.45 -3.95 1.61 4.21 -1.86 -3.47 115.58 112.57 3e17 h ASN 39 Ca 0.00 -0.91 -0.51 0.00 1.21 0.00 0.00 56.30 56.09 3e17 h ASN 39 Cb 0.00 -0.15 0.06 0.00 -1.12 0.00 0.00 38.32 37.11 3e17 h ASN 39 CO 0.00 1.81 0.52 -0.76 -1.29 0.00 0.00 177.43 177.71 3e17 s LEU 40 N -7.07 4.17 0.06 1.61 1.43 -1.26 -5.07 118.68 112.55 3e17 s LEU 40 Ca -0.20 2.39 0.09 0.00 -1.03 0.00 0.00 54.13 55.39 3e17 s LEU 40 Cb 0.06 -4.03 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 3e17 s LEU 40 CO 0.79 -0.74 -0.25 -1.00 0.23 0.00 0.00 176.35 175.38 3e17 s HIS 41 N -1.40 2.36 0.36 0.29 3.76 -1.26 -4.96 115.29 114.44 3e17 s HIS 41 Ca 0.58 -0.38 -0.28 0.00 -0.15 0.00 0.00 55.06 54.83 3e17 s HIS 41 Cb -0.32 -1.37 -0.11 0.00 1.11 0.00 0.00 32.58 31.89 3e17 s HIS 41 CO 0.40 0.19 1.44 0.39 -0.85 0.00 0.00 174.74 176.32 3e17 n GLU 42 N 1.55 2.54 -0.04 1.40 1.02 -1.26 -1.32 120.64 124.52 3e17 n GLU 42 Ca -0.17 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 3e17 n GLU 42 Cb 0.52 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.36 3e17 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3e17 n GLY 43 N 0.63 1.86 3.73 0.62 0.00 0.86 -4.98 105.19 107.90 3e17 n GLY 43 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3e17 n GLY 43 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3e17 n ASP 44 N 0.00 3.23 -4.65 1.61 8.00 -0.43 -4.60 116.55 119.70 3e17 n ASP 44 Ca 0.00 1.21 -0.40 0.00 0.71 0.00 0.00 54.79 56.31 3e17 n ASP 44 Cb 0.00 -1.54 -0.06 0.00 -0.02 0.00 0.00 41.12 39.49 3e17 n ASP 44 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3e17 s ILE 45 N -1.05 5.04 -0.15 0.53 -1.09 -1.26 -0.63 121.20 122.59 3e17 s ILE 45 Ca 0.55 1.08 -0.26 0.00 -2.23 0.00 0.00 60.65 59.78 3e17 s ILE 45 Cb -0.53 -3.90 -0.01 0.00 -1.58 0.00 0.00 42.46 36.44 3e17 s ILE 45 CO 0.62 0.11 0.88 -0.63 -1.23 0.00 0.00 174.94 174.69 3e17 s ILE 46 N 2.00 4.86 -0.14 2.92 -1.09 -0.15 -0.94 121.20 128.66 3e17 s ILE 46 Ca 0.26 1.75 0.01 0.00 -2.23 0.00 0.00 60.65 60.44 3e17 s ILE 46 Cb -0.16 -4.19 -0.24 0.00 -1.58 0.00 0.00 42.46 36.30 3e17 s ILE 46 CO 0.10 0.03 0.27 0.18 -1.23 0.00 0.00 174.94 174.29 3e17 n LEU 47 N 5.13 2.15 -3.85 2.97 4.77 0.13 -4.42 117.00 123.88 3e17 n LEU 47 Ca 0.06 0.16 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 3e17 n LEU 47 Cb 0.49 -0.69 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 3e17 n LEU 47 CO 0.49 0.75 -0.17 -0.54 -1.33 0.00 0.00 177.39 176.60 3e17 s LYS 48 N -2.55 0.39 -0.22 3.23 1.02 -1.06 -1.46 119.74 119.09 3e17 s LYS 48 Ca -0.21 -0.17 0.01 0.00 0.02 0.00 0.00 55.97 55.63 3e17 s LYS 48 Cb 0.07 0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.60 3e17 s LYS 48 CO 0.75 -0.08 -0.08 0.42 -0.92 0.00 0.00 175.35 175.43 3e17 s ILE 49 N -0.86 1.65 -1.53 2.17 1.01 -0.44 -1.98 121.20 121.21 3e17 s ILE 49 Ca -0.09 -1.16 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 3e17 s ILE 49 Cb -0.05 -1.81 0.08 0.00 0.01 0.00 0.00 42.46 40.70 3e17 s ILE 49 CO 0.01 0.04 0.93 0.59 0.00 0.00 0.00 174.94 176.51 3e17 n ASN 50 N 4.65 -4.30 0.00 3.58 5.03 0.96 -2.03 115.26 123.16 3e17 n ASN 50 Ca -0.13 -0.81 0.00 0.00 0.87 0.00 0.00 54.58 54.51 3e17 n ASN 50 Cb 0.45 -3.77 0.00 0.00 -1.02 0.00 0.00 39.78 35.44 3e17 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3e17 n GLY 51 N -1.67 3.06 3.67 7.41 0.00 -1.26 -5.04 105.19 111.36 3e17 n GLY 51 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3e17 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e17 s THR 52 N -2.87 5.24 0.25 2.61 2.01 -0.86 -5.04 115.64 116.98 3e17 s THR 52 Ca 0.00 0.59 -0.30 0.00 0.31 0.00 0.00 61.69 62.29 3e17 s THR 52 Cb 0.00 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 3e17 s THR 52 CO 0.00 0.28 1.38 -0.69 -0.69 0.00 0.00 174.62 174.90 3e17 s VAL 53 N 1.21 2.80 -1.20 3.82 1.01 -1.26 -1.33 120.40 125.45 3e17 s VAL 53 Ca 0.16 0.69 0.18 0.00 0.00 0.00 0.00 61.98 63.02 3e17 s VAL 53 Cb -0.14 -3.44 -0.12 0.00 0.00 0.00 0.00 36.38 32.68 3e17 s VAL 53 CO 0.07 0.12 0.84 0.35 0.00 0.00 0.00 175.10 176.48 3e17 n THR 54 N 2.08 0.00 -1.67 3.92 -2.24 -0.53 -4.84 114.28 111.01 3e17 n THR 54 Ca 0.05 -0.17 -0.46 0.00 -2.27 0.00 0.00 64.05 61.20 3e17 n THR 54 Cb 0.41 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 3e17 n THR 54 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3e17 n GLU 55 N -0.87 2.04 -0.80 -0.78 2.13 -1.26 -0.77 120.64 120.33 3e17 n GLU 55 Ca 0.05 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.60 3e17 n GLU 55 Cb 0.33 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.60 3e17 n GLU 55 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3e17 n ASN 56 N 2.75 -2.16 -4.75 4.31 3.02 -0.04 -4.96 115.26 113.43 3e17 n ASN 56 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.29 3e17 n ASN 56 Cb 0.30 -2.13 -0.06 0.00 -0.61 0.00 0.00 39.78 37.28 3e17 n ASN 56 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 3e17 s MET 57 N -1.01 4.81 0.53 3.52 -2.45 0.05 -4.82 119.30 119.93 3e17 s MET 57 Ca 0.00 1.56 -0.20 0.00 -1.25 0.00 0.00 55.69 55.80 3e17 s MET 57 Cb 0.00 -3.26 -0.06 0.00 1.25 0.00 0.00 34.83 32.76 3e17 s MET 57 CO 0.00 0.44 1.16 -1.54 1.05 0.00 0.00 175.02 176.14 3e17 s SER 58 N -1.09 5.71 0.23 1.11 1.04 -1.26 -4.81 113.70 114.63 3e17 s SER 58 Ca 0.42 2.27 -0.08 0.00 0.48 0.00 0.00 55.95 59.04 3e17 s SER 58 Cb -0.27 -2.59 0.37 0.00 0.10 0.00 0.00 66.02 63.63 3e17 s SER 58 CO 0.34 -1.23 1.66 0.25 0.98 0.00 0.00 173.24 175.24 3e17 h LEU 59 N 1.35 -0.20 -0.39 2.42 5.85 -1.96 0.43 115.31 122.81 3e17 h LEU 59 Ca -0.50 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.45 3e17 h LEU 59 Cb 1.27 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.50 3e17 h LEU 59 CO 0.57 -0.10 0.03 0.74 -0.34 0.00 0.00 178.44 179.34 3e17 h THR 60 N 0.16 0.74 -0.63 1.05 2.02 -1.99 0.28 112.91 114.53 3e17 h THR 60 Ca 0.37 -0.05 -0.08 0.00 0.77 0.00 0.00 66.41 67.42 3e17 h THR 60 Cb 0.62 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 3e17 h THR 60 CO -0.55 0.03 0.06 0.44 0.37 0.00 0.00 175.52 175.87 3e17 h ASP 61 N 0.14 1.01 -0.77 4.18 3.32 -1.75 -2.02 116.42 120.53 3e17 h ASP 61 Ca 0.19 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 3e17 h ASP 61 Cb 0.26 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3e17 h ASP 61 CO -0.30 1.03 0.36 0.00 -1.72 0.00 0.00 179.24 178.61 3e17 h ALA 62 N 1.08 1.00 -0.67 3.45 0.00 -0.59 -2.56 119.26 120.97 3e17 h ALA 62 Ca 0.19 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3e17 h ALA 62 Cb 0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3e17 h ALA 62 CO 0.02 0.58 0.26 0.00 0.00 0.00 0.00 179.25 180.11 3e17 h ARG 63 N 1.10 0.99 -0.95 0.00 3.08 -0.76 -2.18 114.38 115.66 3e17 h ARG 63 Ca 0.26 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3e17 h ARG 63 Cb 0.14 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 3e17 h ARG 63 CO -0.03 0.81 0.60 0.87 -1.07 0.00 0.00 179.97 181.15 3e17 h LYS 64 N 0.97 1.27 -0.72 0.04 1.57 -1.07 -1.38 116.57 117.25 3e17 h LYS 64 Ca 0.23 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 3e17 h LYS 64 Cb 0.19 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3e17 h LYS 64 CO -0.02 0.87 0.26 -0.07 -0.57 0.00 0.00 179.45 179.92 3e17 h LEU 65 N 1.30 0.99 -0.29 2.94 3.38 -1.01 -0.88 115.31 121.74 3e17 h LEU 65 Ca 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3e17 h LEU 65 Cb -0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 3e17 h LEU 65 CO -0.07 0.90 0.15 0.40 0.09 0.00 0.00 178.44 179.91 3e17 h ILE 66 N 1.04 1.14 -0.30 1.22 2.04 -0.98 -2.42 117.51 119.26 3e17 h ILE 66 Ca 0.24 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.74 3e17 h ILE 66 Cb 0.23 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3e17 h ILE 66 CO -0.02 0.14 0.20 -0.33 0.00 0.00 0.00 178.15 178.14 3e17 h GLU 67 N 0.34 0.33 0.00 2.37 4.39 -0.94 -2.70 114.58 118.36 3e17 h GLU 67 Ca 0.10 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3e17 h GLU 67 Cb 0.08 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3e17 h GLU 67 CO -0.01 0.22 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.76 3e17 h LYS 68 N 0.34 0.00 -0.11 2.33 3.64 -0.77 -3.34 116.57 118.66 3e17 h LYS 68 Ca 0.12 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3e17 h LYS 68 Cb 0.06 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3e17 h LYS 68 CO -0.03 0.07 0.19 0.66 -2.27 0.00 0.00 179.45 178.08 3e17 h SER 69 N 0.00 0.00 -6.29 4.20 4.64 -1.10 -3.47 113.55 111.54 3e17 h SER 69 Ca -0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3e17 h SER 69 Cb 0.73 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.85 3e17 h SER 69 CO 0.01 0.00 -0.89 -2.11 -0.87 0.00 0.00 176.83 172.97 3e17 n ARG 70 N -3.45 -2.92 -0.91 4.77 1.85 -1.25 -2.32 116.66 112.42 3e17 n ARG 70 Ca -0.00 0.48 0.00 0.00 -1.00 0.00 0.00 57.85 57.33 3e17 n ARG 70 Cb 0.29 -4.56 0.00 0.00 -1.05 0.00 0.00 32.46 27.14 3e17 n ARG 70 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3e17 n GLY 71 N -1.77 0.52 2.96 2.89 0.00 -1.26 -4.97 105.19 103.55 3e17 n GLY 71 Ca -0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3e17 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3e17 s LYS 72 N -0.48 1.76 -0.33 1.61 2.20 -0.98 -5.10 119.74 118.42 3e17 s LYS 72 Ca 0.00 -0.94 0.04 0.00 -0.36 0.00 0.00 55.97 54.71 3e17 s LYS 72 Cb 0.00 -2.52 0.09 0.00 -1.51 0.00 0.00 37.83 33.89 3e17 s LYS 72 CO 0.00 -0.54 0.02 -1.17 -0.36 0.00 0.00 175.35 173.30 3e17 s LEU 73 N 1.40 4.53 -0.32 5.43 2.96 -1.26 -4.71 118.68 126.71 3e17 s LEU 73 Ca -0.04 -2.02 -0.15 0.00 -0.22 0.00 0.00 54.13 51.69 3e17 s LEU 73 Cb -0.18 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.87 3e17 s LEU 73 CO -0.07 -0.35 0.38 -1.58 -1.32 0.00 0.00 176.35 173.41 3e17 s GLN 74 N 0.94 3.74 0.08 1.98 2.00 -1.26 -5.00 119.66 122.14 3e17 s GLN 74 Ca 0.07 -0.23 0.05 0.00 -2.00 0.00 0.00 55.36 53.25 3e17 s GLN 74 Cb -0.19 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 29.83 3e17 s GLN 74 CO -0.07 -0.44 -0.02 -0.51 -0.50 0.00 0.00 175.29 173.75 3e17 s LEU 75 N 2.07 3.40 -0.06 3.68 1.43 -1.26 -0.03 118.68 127.91 3e17 s LEU 75 Ca 0.13 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 3e17 s LEU 75 Cb -0.16 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 3e17 s LEU 75 CO 0.11 0.19 -0.24 -0.69 0.23 0.00 0.00 176.35 175.95 3e17 s VAL 76 N -1.27 1.96 -0.01 -1.59 1.01 -0.84 -4.98 120.40 114.67 3e17 s VAL 76 Ca 0.24 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3e17 s VAL 76 Cb -0.12 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.59 3e17 s VAL 76 CO 0.17 0.54 -0.13 -0.69 0.00 0.00 0.00 175.10 174.99 3e17 s VAL 77 N -0.03 1.02 -0.05 2.92 1.01 -1.26 0.18 120.40 124.19 3e17 s VAL 77 Ca -0.07 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.07 3e17 s VAL 77 Cb -0.14 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 3e17 s VAL 77 CO 0.04 0.29 1.45 -0.22 0.00 0.00 0.00 175.10 176.66 3e17 s LEU 78 N -0.28 4.29 0.00 3.92 0.20 -0.11 -4.88 118.68 121.81 3e17 s LEU 78 Ca 0.04 2.06 0.00 0.00 0.69 0.00 0.00 54.13 56.93 3e17 s LEU 78 Cb -0.05 -3.55 0.00 0.00 -0.43 0.00 0.00 46.19 42.16 3e17 s LEU 78 CO -0.00 -0.79 0.00 0.54 -0.29 0.00 0.00 176.35 175.81