#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0f n GLN 23 N 0.00 0.28 0.00 -1.08 3.00 -1.26 -1.80 117.38 116.52 1n0f n GLN 23 Ca 0.00 0.11 0.14 0.00 -0.01 0.00 0.00 57.00 57.24 1n0f n GLN 23 Cb 0.00 -1.71 0.50 0.00 0.00 0.00 0.00 30.24 29.03 1n0f n GLN 23 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1n0f n GLY 24 N 1.33 -0.55 0.00 1.08 0.00 -1.26 -3.81 105.19 101.98 1n0f n GLY 24 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1n0f n GLY 24 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1n0f n HIS 25 N -0.53 0.00 -4.05 1.61 8.25 -1.07 -4.62 115.22 114.82 1n0f n HIS 25 Ca 0.15 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.38 1n0f n HIS 25 Cb 0.32 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.26 1n0f n HIS 25 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1n0f s MET 26 N -0.79 1.05 -0.48 -0.41 1.00 -0.75 -4.92 119.30 114.01 1n0f s MET 26 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 55.69 55.41 1n0f s MET 26 Cb 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 34.83 33.77 1n0f s MET 26 CO 0.00 -0.17 0.41 -0.51 0.00 0.00 0.00 175.02 174.75 1n0f s LEU 27 N 1.37 5.64 0.14 -0.03 1.43 -1.01 -4.73 118.68 121.49 1n0f s LEU 27 Ca -0.03 -1.34 0.07 0.00 -1.03 0.00 0.00 54.13 51.80 1n0f s LEU 27 Cb -0.14 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1n0f s LEU 27 CO -0.03 -0.67 -0.17 -0.76 0.23 0.00 0.00 176.35 174.95 1n0f s LEU 28 N 1.68 2.42 0.00 1.79 1.43 -1.26 0.77 118.68 125.50 1n0f s LEU 28 Ca 0.04 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1n0f s LEU 28 Cb -0.24 -0.72 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1n0f s LEU 28 CO 0.07 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.18 1n0f n GLY 29 N 0.43 1.59 3.25 -3.19 0.00 -1.26 -4.48 105.19 101.53 1n0f n GLY 29 Ca -0.14 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 1n0f n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n0f s THR 30 N -1.88 1.85 -0.03 2.61 2.01 -1.26 0.14 115.64 119.09 1n0f s THR 30 Ca 0.00 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.02 1n0f s THR 30 Cb 0.00 -1.55 0.03 0.00 0.01 0.00 0.00 72.50 70.99 1n0f s THR 30 CO 0.00 0.52 0.01 -0.36 -0.69 0.00 0.00 174.62 174.10 1n0f s PHE 31 N -0.38 0.21 -0.16 4.92 0.08 0.42 -4.97 117.98 118.11 1n0f s PHE 31 Ca 0.04 0.05 -0.16 0.00 0.12 0.00 0.00 56.93 56.98 1n0f s PHE 31 Cb -0.11 -0.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.95 1n0f s PHE 31 CO 0.01 -0.12 0.38 -0.80 -0.10 0.00 0.00 175.22 174.59 1n0f s ASN 32 N 1.05 6.50 0.35 1.36 0.01 -1.26 -0.27 114.94 122.67 1n0f s ASN 32 Ca -0.09 0.59 0.03 0.00 -0.71 0.00 0.00 52.86 52.67 1n0f s ASN 32 Cb -0.13 -2.23 -0.01 0.00 0.41 0.00 0.00 41.25 39.29 1n0f s ASN 32 CO -0.02 0.01 0.39 0.27 -1.51 0.00 0.00 177.10 176.24 1n0f s ILE 33 N 0.81 0.00 0.03 0.60 -4.36 -0.03 -4.99 121.20 113.26 1n0f s ILE 33 Ca 0.20 -1.79 0.09 0.00 -0.26 0.00 0.00 60.65 58.89 1n0f s ILE 33 Cb -0.14 -2.59 -0.03 0.00 1.25 0.00 0.00 42.46 40.95 1n0f s ILE 33 CO 0.07 0.00 -0.26 -0.89 0.24 0.00 0.00 174.94 174.10 1n0f s THR 34 N -3.17 2.13 -0.42 8.37 2.01 -1.26 0.10 115.64 123.39 1n0f s THR 34 Ca 0.36 -1.34 -0.24 0.00 0.31 0.00 0.00 61.69 60.78 1n0f s THR 34 Cb 0.01 -1.81 0.02 0.00 0.01 0.00 0.00 72.50 70.73 1n0f s THR 34 CO 0.25 0.41 0.82 -0.22 -0.69 0.00 0.00 174.62 175.19 1n0f s LEU 35 N -1.12 4.14 1.16 4.42 0.20 -1.26 -4.58 118.68 121.64 1n0f s LEU 35 Ca 0.11 0.14 -0.18 0.00 0.69 0.00 0.00 54.13 54.89 1n0f s LEU 35 Cb -0.10 -3.05 0.27 0.00 -0.43 0.00 0.00 46.19 42.87 1n0f s LEU 35 CO 0.01 -0.88 1.11 1.51 -0.29 0.00 0.00 176.35 177.82 1n0f s ASP 36 N 2.05 1.31 0.48 3.68 3.84 -0.40 -4.73 116.67 122.90 1n0f s ASP 36 Ca 0.32 0.73 0.19 0.00 -0.00 0.00 0.00 52.55 53.80 1n0f s ASP 36 Cb -0.12 -1.06 1.20 0.00 -1.38 0.00 0.00 42.92 41.57 1n0f s ASP 36 CO 0.21 -3.89 1.97 0.00 -0.00 0.00 0.00 175.17 173.46 1n0f h ALA 37 N -2.42 2.26 -0.43 2.11 0.00 -1.96 -1.43 119.26 117.40 1n0f h ALA 37 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n0f h ALA 37 Cb 1.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1n0f h ALA 37 CO 0.39 -0.42 0.00 1.63 0.00 0.00 0.00 179.25 180.85 1n0f n LYS 38 N -4.43 3.16 -2.64 0.00 5.02 -1.26 -4.90 118.16 113.10 1n0f n LYS 38 Ca 0.11 -2.02 -0.17 0.00 -2.02 0.00 0.00 58.31 54.21 1n0f n LYS 38 Cb 0.52 -1.82 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 1n0f n LYS 38 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1n0f n ASN 39 N 0.60 -4.93 -4.61 4.39 5.03 -0.54 -4.84 115.26 110.37 1n0f n ASN 39 Ca 0.18 -0.15 -0.29 0.00 0.87 0.00 0.00 54.58 55.19 1n0f n ASN 39 Cb 0.74 -3.88 -0.09 0.00 -1.02 0.00 0.00 39.78 35.53 1n0f n ASN 39 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1n0f s ARG 40 N -5.19 2.24 -0.04 3.52 0.52 -1.26 -0.98 118.95 117.76 1n0f s ARG 40 Ca 0.15 -1.02 0.07 0.00 -0.52 0.00 0.00 55.73 54.40 1n0f s ARG 40 Cb -0.07 -2.34 -0.01 0.00 0.52 0.00 0.00 34.95 33.05 1n0f s ARG 40 CO 0.18 0.50 -0.24 0.42 0.02 0.00 0.00 175.30 176.18 1n0f s ILE 41 N -1.35 1.95 -0.29 1.52 1.01 -0.81 -1.28 121.20 121.96 1n0f s ILE 41 Ca 0.23 -1.03 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 1n0f s ILE 41 Cb -0.11 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1n0f s ILE 41 CO 0.15 0.55 0.34 -0.44 0.00 0.00 0.00 174.94 175.54 1n0f s SER 42 N -0.36 6.19 0.09 3.58 0.01 -1.26 -0.84 113.70 121.10 1n0f s SER 42 Ca 0.03 0.10 -0.31 0.00 1.31 0.00 0.00 55.95 57.08 1n0f s SER 42 Cb -0.11 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 63.84 1n0f s SER 42 CO 0.01 -0.20 1.68 -0.76 0.41 0.00 0.00 173.24 174.39 1n0f s LEU 43 N 2.00 4.37 0.00 2.44 1.43 0.67 -4.82 118.68 124.77 1n0f s LEU 43 Ca 0.13 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.78 1n0f s LEU 43 Cb -0.16 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1n0f s LEU 43 CO 0.11 -0.91 0.00 -2.65 0.23 0.00 0.00 176.35 173.13 1n0f n PRO 44 N 5.48 0.00 0.00 1.29 -0.02 -1.26 -4.53 135.00 135.95 1n0f n PRO 44 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1n0f n PRO 44 Cb 0.40 -0.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.90 1n0f n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1n0f n ALA 45 N -0.12 0.00 0.18 3.55 0.00 -1.26 -4.27 120.51 118.59 1n0f n ALA 45 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1n0f n ALA 45 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1n0f n ALA 45 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1n0f h LYS 46 N 0.00 -0.38 -0.41 0.00 1.57 -2.00 -3.01 116.57 112.35 1n0f h LYS 46 Ca 0.00 0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 1n0f h LYS 46 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1n0f h LYS 46 CO 0.00 -0.25 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.53 1n0f h LEU 47 N -0.40 0.73 -1.81 2.94 4.07 -1.90 -3.16 115.31 115.78 1n0f h LEU 47 Ca -0.04 -0.33 0.28 0.00 0.08 0.00 0.00 57.88 57.88 1n0f h LEU 47 Cb 0.30 -0.20 -0.06 0.00 1.08 0.00 0.00 40.66 41.79 1n0f h LEU 47 CO 0.07 0.88 0.72 -0.09 -1.08 0.00 0.00 178.44 178.94 1n0f h ARG 48 N 0.56 0.12 0.40 1.13 2.43 -1.77 -1.31 114.38 115.96 1n0f h ARG 48 Ca 0.11 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1n0f h ARG 48 Cb 0.53 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1n0f h ARG 48 CO 0.03 0.08 -0.46 0.00 -1.51 0.00 0.00 179.97 178.11 1n0f h ALA 49 N 1.52 -1.09 -0.98 2.80 0.00 -1.49 -3.06 119.26 116.96 1n0f h ALA 49 Ca 0.51 -0.16 0.19 0.00 0.00 0.00 0.00 54.91 55.45 1n0f h ALA 49 Cb 1.81 0.71 -0.18 0.00 0.00 0.00 0.00 17.79 20.12 1n0f h ALA 49 CO -0.09 -1.13 -0.27 0.34 0.00 0.00 0.00 179.25 178.10 1n0f n PHE 50 N -5.18 0.30 -3.04 0.00 7.35 -0.50 -4.41 117.46 111.99 1n0f n PHE 50 Ca -0.10 1.20 -0.39 0.00 -0.76 0.00 0.00 57.45 57.40 1n0f n PHE 50 Cb 0.41 -1.04 -0.06 0.00 0.35 0.00 0.00 39.48 39.14 1n0f n PHE 50 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1n0f s PHE 51 N -6.19 3.84 0.00 -5.13 0.08 -1.16 -4.98 117.98 104.45 1n0f s PHE 51 Ca -0.15 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.45 1n0f s PHE 51 Cb 0.25 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 40.00 1n0f s PHE 51 CO 0.76 0.49 0.00 0.39 -0.10 0.00 0.00 175.22 176.75 1n0f n GLU 52 N 1.42 0.00 0.09 0.44 1.02 -1.26 -4.89 120.64 117.45 1n0f n GLU 52 Ca -0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.98 1n0f n GLU 52 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.83 1n0f n GLU 52 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1n0f h GLY 53 N 0.00 0.20 -3.30 0.62 0.00 -1.96 -3.45 103.07 95.19 1n0f h GLY 53 Ca 0.00 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.74 1n0f h GLY 53 CO 0.00 0.40 -0.68 -1.35 0.00 0.00 0.00 176.54 174.90 1n0f s SER 54 N -6.96 0.59 0.19 0.19 1.04 -1.26 0.38 113.70 107.88 1n0f s SER 54 Ca -0.02 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.44 1n0f s SER 54 Cb 0.09 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.34 1n0f s SER 54 CO 0.85 -0.56 0.04 0.27 0.98 0.00 0.00 173.24 174.81 1n0f s ILE 55 N -3.74 0.55 -0.08 -1.02 -5.25 0.55 -4.25 121.20 107.97 1n0f s ILE 55 Ca 0.07 -1.98 -0.01 0.00 -0.99 0.00 0.00 60.65 57.74 1n0f s ILE 55 Cb 0.07 -2.25 -0.03 0.00 2.95 0.00 0.00 42.46 43.19 1n0f s ILE 55 CO -0.09 -0.34 -0.00 -0.69 -1.79 0.00 0.00 174.94 172.03 1n0f s VAL 56 N -3.75 4.27 -0.11 8.37 1.01 -0.45 0.25 120.40 129.99 1n0f s VAL 56 Ca 0.28 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.94 1n0f s VAL 56 Cb 0.07 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 1n0f s VAL 56 CO 0.06 0.58 -0.13 0.00 0.00 0.00 0.00 175.10 175.62 1n0f n ILE 57 N 2.07 0.63 -0.54 2.22 3.06 -1.26 -1.68 119.36 123.86 1n0f n ILE 57 Ca -0.18 -0.19 0.00 0.00 -2.50 0.00 0.00 62.75 59.87 1n0f n ILE 57 Cb 0.53 -1.34 0.00 0.00 0.54 0.00 0.00 39.64 39.38 1n0f n ILE 57 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 1n0f n ASN 58 N -3.23 0.00 -4.79 9.51 0.23 -1.19 -2.76 115.26 113.03 1n0f n ASN 58 Ca -0.21 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.45 1n0f n ASN 58 Cb 0.68 -1.17 -0.06 0.00 -2.08 0.00 0.00 39.78 37.15 1n0f n ASN 58 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1n0f s ARG 59 N -3.61 4.33 0.00 -3.83 1.70 -1.25 -1.02 118.95 115.27 1n0f s ARG 59 Ca 0.00 0.87 0.00 0.00 -0.47 0.00 0.00 55.73 56.13 1n0f s ARG 59 Cb 0.00 -3.26 0.00 0.00 -0.57 0.00 0.00 34.95 31.12 1n0f s ARG 59 CO 0.00 0.58 0.00 0.41 -1.08 0.00 0.00 175.30 175.21 1n0f n GLY 60 N 1.77 1.91 3.90 3.88 0.00 -1.26 -4.70 105.19 110.70 1n0f n GLY 60 Ca -0.08 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 1n0f n GLY 60 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1n0f s PHE 61 N 1.54 3.47 -1.51 1.61 0.08 -1.26 -4.08 117.98 117.83 1n0f s PHE 61 Ca 0.00 0.56 -0.01 0.00 0.12 0.00 0.00 56.93 57.60 1n0f s PHE 61 Cb 0.00 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 1n0f s PHE 61 CO 0.00 0.34 0.18 0.39 -0.10 0.00 0.00 175.22 176.03 1n0f n GLU 62 N -0.36 -2.40 -2.85 0.44 4.71 -1.26 -3.45 120.64 115.47 1n0f n GLU 62 Ca -0.02 0.87 -0.11 0.00 -0.01 0.00 0.00 57.16 57.88 1n0f n GLU 62 Cb 0.53 -5.43 0.05 0.00 -1.01 0.00 0.00 31.44 25.59 1n0f n GLU 62 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1n0f n ASN 63 N -1.68 -3.08 0.00 1.62 3.02 -1.26 -5.01 115.26 108.87 1n0f n ASN 63 Ca -0.18 -0.43 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1n0f n ASN 63 Cb 0.65 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 1n0f n ASN 63 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0f n LEU 65 N -0.95 -4.55 -4.73 0.00 4.32 -1.26 -2.49 117.00 107.34 1n0f n LEU 65 Ca 0.00 1.64 -0.32 0.00 -0.02 0.00 0.00 56.01 57.32 1n0f n LEU 65 Cb 0.00 -2.25 -0.08 0.00 -1.62 0.00 0.00 43.42 39.47 1n0f n LEU 65 CO 0.00 -1.53 -0.29 -1.61 -1.22 0.00 0.00 177.39 172.74 1n0f s GLU 66 N -1.31 2.84 -0.05 3.23 2.02 -0.19 -1.21 118.70 124.04 1n0f s GLU 66 Ca 0.00 -0.63 0.06 0.00 0.02 0.00 0.00 54.97 54.42 1n0f s GLU 66 Cb 0.00 -2.71 -0.02 0.00 0.10 0.00 0.00 34.13 31.50 1n0f s GLU 66 CO 0.00 0.61 -0.22 0.08 0.02 0.00 0.00 175.26 175.75 1n0f s VAL 67 N -1.21 2.39 0.06 2.63 1.01 0.16 -4.17 120.40 121.26 1n0f s VAL 67 Ca 0.23 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.18 1n0f s VAL 67 Cb -0.12 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1n0f s VAL 67 CO 0.15 0.57 0.14 -0.13 0.00 0.00 0.00 175.10 175.84 1n0f s ARG 68 N -0.40 0.71 0.16 2.72 0.52 -0.68 -1.15 118.95 120.84 1n0f s ARG 68 Ca 0.04 -0.85 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 1n0f s ARG 68 Cb -0.12 0.28 -0.07 0.00 0.52 0.00 0.00 34.95 35.56 1n0f s ARG 68 CO 0.02 -0.20 1.12 0.15 0.02 0.00 0.00 175.30 176.41 1n0f s LYS 69 N -3.21 4.55 0.29 3.54 1.02 -1.26 -1.34 119.74 123.32 1n0f s LYS 69 Ca 0.00 1.74 -0.05 0.00 0.02 0.00 0.00 55.97 57.68 1n0f s LYS 69 Cb 0.02 -3.29 0.55 0.00 -0.52 0.00 0.00 37.83 34.59 1n0f s LYS 69 CO -0.07 -0.00 1.56 -1.35 -0.92 0.00 0.00 175.35 174.57 1n0f h PRO 70 N 5.43 0.00 0.00 -1.68 0.11 -1.90 1.26 132.00 135.21 1n0f h PRO 70 Ca -0.44 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 1n0f h PRO 70 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1n0f h PRO 70 CO 0.74 0.00 -0.05 -0.56 -0.21 0.00 0.00 178.00 177.92 1n0f h GLN 71 N 0.00 0.00 0.06 1.05 -0.00 -1.95 -0.00 115.11 114.26 1n0f h GLN 71 Ca 0.51 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.94 1n0f h GLN 71 Cb 0.88 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.38 1n0f h GLN 71 CO -0.99 0.05 -0.90 -0.44 -0.00 0.00 0.00 178.83 176.55 1n0f h ASP 72 N 0.00 0.69 -0.95 0.06 3.32 0.12 -2.85 116.42 116.81 1n0f h ASP 72 Ca -0.00 -0.81 0.14 0.00 0.02 0.00 0.00 57.03 56.38 1n0f h ASP 72 Cb 0.16 -0.22 -0.09 0.00 0.22 0.00 0.00 39.33 39.40 1n0f h ASP 72 CO 0.01 1.42 0.57 0.15 -1.72 0.00 0.00 179.24 179.67 1n0f h PHE 73 N 0.05 1.02 -0.44 4.55 3.57 0.23 0.14 116.94 126.06 1n0f h PHE 73 Ca -0.13 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.47 1n0f h PHE 73 Cb 1.61 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.98 1n0f h PHE 73 CO 0.14 0.34 0.13 0.37 -2.23 0.00 0.00 178.31 177.05 1n0f h GLN 74 N 0.85 0.27 -0.20 1.11 5.75 -1.03 -1.23 115.11 120.62 1n0f h GLN 74 Ca 0.50 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.87 1n0f h GLN 74 Cb 0.60 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1n0f h GLN 74 CO -0.31 0.18 -0.37 0.87 -2.65 0.00 0.00 178.83 176.54 1n0f h LYS 75 N 0.28 0.45 0.12 1.69 1.57 -0.58 -2.93 116.57 117.16 1n0f h LYS 75 Ca 0.21 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1n0f h LYS 75 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1n0f h LYS 75 CO -0.24 0.76 -0.06 -0.92 -0.57 0.00 0.00 179.45 178.42 1n0f h TYR 76 N 0.38 -0.15 -0.25 -1.35 3.20 -0.44 -3.14 116.97 115.21 1n0f h TYR 76 Ca 0.04 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.97 1n0f h TYR 76 Cb 0.83 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 39.08 1n0f h TYR 76 CO 0.03 -0.06 -0.19 0.35 -1.64 0.00 0.00 178.16 176.65 1n0f h PHE 77 N -0.20 -0.48 -0.89 -3.82 3.57 -1.19 -2.01 116.94 111.92 1n0f h PHE 77 Ca -0.02 0.03 0.24 0.00 3.53 0.00 0.00 57.97 61.76 1n0f h PHE 77 Cb 0.16 0.25 -0.14 0.00 2.79 0.00 0.00 35.95 39.01 1n0f h PHE 77 CO -0.06 -0.26 0.28 0.93 -2.23 0.00 0.00 178.31 176.97 1n0f h GLU 78 N -0.18 0.23 0.00 1.11 5.08 -1.47 0.98 114.58 120.32 1n0f h GLU 78 Ca 0.14 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1n0f h GLU 78 Cb 0.39 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1n0f h GLU 78 CO -0.36 0.15 0.12 1.04 -1.00 0.00 0.00 179.01 178.96 1n0f n GLN 79 N -5.20 0.06 -0.05 2.33 6.02 -0.76 -0.56 117.38 119.22 1n0f n GLN 79 Ca 0.22 0.50 -0.21 0.00 -0.01 0.00 0.00 57.00 57.50 1n0f n GLN 79 Cb 0.70 -1.81 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 1n0f n GLN 79 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1n0f n PHE 80 N -1.77 0.82 0.07 1.08 3.72 0.34 -4.04 117.46 117.68 1n0f n PHE 80 Ca -0.01 0.20 0.03 0.00 -0.05 0.00 0.00 57.45 57.63 1n0f n PHE 80 Cb 0.14 -1.10 0.18 0.00 -0.94 0.00 0.00 39.48 37.75 1n0f n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1n0f n ASN 81 N -3.57 0.17 -0.09 4.37 4.13 0.27 0.18 115.26 120.72 1n0f n ASN 81 Ca -0.37 0.46 0.09 0.00 1.68 0.00 0.00 54.58 56.43 1n0f n ASN 81 Cb 0.98 -0.45 0.47 0.00 -1.54 0.00 0.00 39.78 39.25 1n0f n ASN 81 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1n0f n SER 82 N -1.67 0.28 -4.78 6.41 3.41 -1.19 -4.75 113.62 111.34 1n0f n SER 82 Ca -0.00 -1.53 -0.36 0.00 -0.26 0.00 0.00 58.87 56.72 1n0f n SER 82 Cb 0.20 -0.02 -0.08 0.00 -0.26 0.00 0.00 64.21 64.05 1n0f n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n0f s PHE 83 N -1.96 3.41 0.00 7.33 0.08 0.48 -5.04 117.98 122.28 1n0f s PHE 83 Ca 0.26 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.66 1n0f s PHE 83 Cb 0.12 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1n0f s PHE 83 CO 0.20 0.54 0.08 -2.30 -0.10 0.00 0.00 175.22 173.63 1n0f n PRO 84 N 2.39 0.00 0.00 0.24 -0.02 -1.26 -4.82 135.00 131.52 1n0f n PRO 84 Ca -0.19 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1n0f n PRO 84 Cb 0.54 -0.11 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1n0f n PRO 84 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n0f n SER 85 N -1.95 0.00 0.02 2.55 2.88 -1.26 -4.65 113.62 111.21 1n0f n SER 85 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1n0f n SER 85 Cb 0.00 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.83 1n0f n SER 85 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1n0f n THR 86 N -0.30 0.12 -3.07 2.46 -2.24 -1.26 -4.72 114.28 105.27 1n0f n THR 86 Ca 0.00 -0.08 -0.40 0.00 -2.27 0.00 0.00 64.05 61.31 1n0f n THR 86 Cb 0.00 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.05 1n0f n THR 86 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1n0f s GLN 87 N -3.04 4.43 0.17 -0.78 -1.52 -1.26 -4.99 119.66 112.66 1n0f s GLN 87 Ca 0.11 0.85 -0.15 0.00 -1.95 0.00 0.00 55.36 54.23 1n0f s GLN 87 Cb 0.17 -3.43 0.12 0.00 -0.22 0.00 0.00 33.01 29.65 1n0f s GLN 87 CO 0.64 0.10 1.73 -0.22 -0.25 0.00 0.00 175.29 177.30 1n0f h LYS 88 N 6.62 0.25 -0.36 2.91 3.64 -2.01 -2.43 116.57 125.19 1n0f h LYS 88 Ca -0.41 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1n0f h LYS 88 Cb 1.20 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1n0f h LYS 88 CO 0.75 0.17 0.19 -0.44 -2.27 0.00 0.00 179.45 177.84 1n0f h ASP 89 N 0.26 0.43 -0.76 4.20 3.32 -1.97 -1.70 116.42 120.21 1n0f h ASP 89 Ca 0.21 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1n0f h ASP 89 Cb 0.23 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1n0f h ASP 89 CO -0.24 0.36 0.32 0.74 -1.72 0.00 0.00 179.24 178.70 1n0f h THR 90 N 0.50 1.25 -0.55 0.35 2.02 -1.81 -0.43 112.91 114.24 1n0f h THR 90 Ca 0.13 -0.77 -0.11 0.00 0.77 0.00 0.00 66.41 66.43 1n0f h THR 90 Cb 0.03 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1n0f h THR 90 CO -0.02 0.31 -0.10 0.03 0.37 0.00 0.00 175.52 176.11 1n0f h ARG 91 N 1.09 1.04 -0.52 6.66 3.08 -1.19 0.54 114.38 125.06 1n0f h ARG 91 Ca 0.25 -0.38 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1n0f h ARG 91 Cb 0.19 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1n0f h ARG 91 CO -0.02 1.07 0.10 1.15 -1.07 0.00 0.00 179.97 181.20 1n0f h THR 92 N 0.92 1.25 0.32 2.04 2.02 -1.07 0.15 112.91 118.54 1n0f h THR 92 Ca 0.14 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 1n0f h THR 92 Cb 0.67 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1n0f h THR 92 CO 0.05 0.33 -0.18 0.25 0.37 0.00 0.00 175.52 176.34 1n0f h LEU 93 N 0.74 -0.43 -1.18 2.58 5.85 -0.79 0.32 115.31 122.40 1n0f h LEU 93 Ca 0.16 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1n0f h LEU 93 Cb 0.37 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 1n0f h LEU 93 CO 0.01 -0.29 0.57 0.11 -0.34 0.00 0.00 178.44 178.49 1n0f h LYS 94 N -0.47 1.02 -0.20 1.25 1.57 -0.71 -0.75 116.57 118.28 1n0f h LYS 94 Ca -0.04 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.51 1n0f h LYS 94 Cb 0.38 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1n0f h LYS 94 CO 0.05 0.68 -0.55 0.00 -0.57 0.00 0.00 179.45 179.06 1n0f h ARG 95 N 1.05 0.73 -0.09 3.15 3.08 -0.34 -1.45 114.38 120.51 1n0f h ARG 95 Ca 0.35 -0.51 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1n0f h ARG 95 Cb 0.07 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1n0f h ARG 95 CO -0.11 1.14 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.61 1n0f h LEU 96 N 0.45 0.15 0.00 3.04 3.38 0.21 -2.99 115.31 119.55 1n0f h LEU 96 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1n0f h LEU 96 Cb 1.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1n0f h LEU 96 CO 0.12 0.40 -0.15 0.40 0.09 0.00 0.00 178.44 179.30 1n0f h ILE 97 N 0.14 0.00 0.00 1.22 2.04 -1.08 -3.39 117.51 116.43 1n0f h ILE 97 Ca 0.02 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1n0f h ILE 97 Cb 0.52 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1n0f h ILE 97 CO 0.04 0.00 0.00 -0.26 0.00 0.00 0.00 178.15 177.93 1n0f h PHE 98 N -0.64 0.00 0.00 1.37 0.04 -1.40 -2.33 116.94 113.99 1n0f h PHE 98 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1n0f h PHE 98 Cb 0.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1n0f h PHE 98 CO -0.07 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.64 1n0f h ALA 99 N 2.00 1.00 -0.28 2.45 0.00 -1.70 -3.15 119.26 119.58 1n0f h ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n0f h ALA 99 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1n0f h ALA 99 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1n0f n ASN 100 N -2.90 3.66 -4.88 0.00 3.02 -0.88 -4.98 115.26 108.30 1n0f n ASN 100 Ca 0.02 -2.76 -0.31 0.00 -0.03 0.00 0.00 54.58 51.50 1n0f n ASN 100 Cb 0.38 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 39.03 1n0f n ASN 100 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n0f s ALA 101 N -2.37 3.48 0.00 5.41 0.00 -1.17 -3.16 121.76 123.95 1n0f s ALA 101 Ca 0.37 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.07 1n0f s ALA 101 Cb 0.29 -2.53 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1n0f s ALA 101 CO 0.11 0.30 0.00 0.09 0.00 0.00 0.00 175.76 176.25 1n0f n ASN 102 N -0.63 1.45 -1.89 0.00 5.03 -1.26 -4.68 115.26 113.28 1n0f n ASN 102 Ca 0.01 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.44 1n0f n ASN 102 Cb 0.53 0.19 -0.02 0.00 -1.02 0.00 0.00 39.78 39.47 1n0f n ASN 102 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 1n0f n PHE 103 N -0.76 -1.87 -4.30 3.10 3.72 -1.23 -4.88 117.46 111.24 1n0f n PHE 103 Ca 0.00 1.09 -0.19 0.00 -0.05 0.00 0.00 57.45 58.30 1n0f n PHE 103 Cb 0.10 -2.53 -0.13 0.00 -0.94 0.00 0.00 39.48 35.97 1n0f n PHE 103 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1n0f s VAL 104 N -0.27 1.00 -0.10 -4.37 1.01 0.14 -4.95 120.40 112.86 1n0f s VAL 104 Ca -0.10 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.78 1n0f s VAL 104 Cb 0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1n0f s VAL 104 CO 0.28 -0.04 0.32 -1.81 0.00 0.00 0.00 175.10 173.85 1n0f s ASP 105 N -1.14 6.57 -0.01 3.32 1.01 -1.26 -0.33 116.67 124.83 1n0f s ASP 105 Ca 0.00 0.68 -0.30 0.00 0.71 0.00 0.00 52.55 53.64 1n0f s ASP 105 Cb -0.08 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 1n0f s ASP 105 CO 0.01 0.22 1.03 -0.69 0.21 0.00 0.00 175.17 175.95 1n0f s VAL 106 N -0.30 4.71 0.94 -1.27 1.01 0.16 -4.64 120.40 121.00 1n0f s VAL 106 Ca 0.19 1.95 -0.15 0.00 0.00 0.00 0.00 61.98 63.98 1n0f s VAL 106 Cb -0.14 -4.25 0.17 0.00 0.00 0.00 0.00 36.38 32.16 1n0f s VAL 106 CO 0.08 0.12 1.21 1.51 0.00 0.00 0.00 175.10 178.02 1n0f s ASP 107 N 1.06 3.25 0.37 3.32 3.84 0.33 -4.83 116.67 124.00 1n0f s ASP 107 Ca 0.52 0.61 0.08 0.00 -0.00 0.00 0.00 52.55 53.77 1n0f s ASP 107 Cb -0.22 -0.92 0.79 0.00 -1.38 0.00 0.00 42.92 41.19 1n0f s ASP 107 CO 0.26 -2.67 1.92 0.71 -0.00 0.00 0.00 175.17 175.39 1n0f h THR 108 N -1.59 0.94 -0.05 2.11 1.35 -1.96 0.27 112.91 113.98 1n0f h THR 108 Ca -0.46 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1n0f h THR 108 Cb 1.29 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 1n0f h THR 108 CO 0.50 0.13 0.00 0.00 -0.25 0.00 0.00 175.52 175.90 1n0f n ALA 109 N -2.45 2.51 -2.50 6.62 0.00 -1.26 -4.86 120.51 118.57 1n0f n ALA 109 Ca 0.13 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 1n0f n ALA 109 Cb 0.34 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.80 1n0f n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n0f n GLY 110 N 0.51 0.01 3.80 0.00 0.00 0.95 -4.77 105.19 105.69 1n0f n GLY 110 Ca 0.02 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 1n0f n GLY 110 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n0f s ARG 111 N -4.92 2.90 -0.12 1.61 3.00 -1.24 -0.24 118.95 119.94 1n0f s ARG 111 Ca 0.10 -0.88 -0.00 0.00 0.00 0.00 0.00 55.73 54.96 1n0f s ARG 111 Cb -0.04 -2.64 0.02 0.00 0.00 0.00 0.00 34.95 32.29 1n0f s ARG 111 CO 0.13 0.48 -0.10 0.08 0.00 0.00 0.00 175.30 175.89 1n0f s VAL 112 N -1.76 1.18 -0.29 3.52 1.01 -0.02 -0.51 120.40 123.52 1n0f s VAL 112 Ca 0.31 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1n0f s VAL 112 Cb -0.10 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1n0f s VAL 112 CO 0.23 0.39 1.08 -0.22 0.00 0.00 0.00 175.10 176.59 1n0f s LEU 113 N 1.61 3.98 -0.21 3.92 0.20 -1.26 -1.93 118.68 125.00 1n0f s LEU 113 Ca 0.04 1.17 -0.23 0.00 0.69 0.00 0.00 54.13 55.80 1n0f s LEU 113 Cb -0.13 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.07 1n0f s LEU 113 CO -0.09 -0.83 0.74 -0.63 -0.29 0.00 0.00 176.35 175.26 1n0f s ILE 114 N 3.56 4.92 0.25 6.68 1.01 -0.15 -4.98 121.20 132.49 1n0f s ILE 114 Ca 0.46 1.41 -0.30 0.00 0.00 0.00 0.00 60.65 62.22 1n0f s ILE 114 Cb -0.13 -4.05 -0.15 0.00 0.01 0.00 0.00 42.46 38.14 1n0f s ILE 114 CO 0.13 0.03 1.07 -2.65 0.00 0.00 0.00 174.94 173.51 1n0f n PRO 115 N 5.45 1.30 -0.10 2.79 -0.02 -1.26 -4.66 135.00 138.49 1n0f n PRO 115 Ca 0.02 0.46 -0.08 0.00 -2.02 0.00 0.00 63.50 61.88 1n0f n PRO 115 Cb 0.49 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.07 1n0f n PRO 115 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1n0f h ASN 116 N 2.52 -1.11 -0.82 2.55 2.35 -1.97 0.90 115.58 119.99 1n0f h ASN 116 Ca -0.41 0.19 0.15 0.00 -0.55 0.00 0.00 56.30 55.68 1n0f h ASN 116 Cb 1.34 0.51 -0.09 0.00 0.05 0.00 0.00 38.32 40.13 1n0f h ASN 116 CO 0.64 -0.33 0.40 -0.55 -1.65 0.00 0.00 177.43 175.94 1n0f h ASN 117 N -0.28 0.46 -0.11 5.81 -0.00 -2.00 -1.24 115.58 118.22 1n0f h ASN 117 Ca 0.16 0.10 -0.02 0.00 -0.00 0.00 0.00 56.30 56.54 1n0f h ASN 117 Cb 0.55 0.03 -0.00 0.00 -0.00 0.00 0.00 38.32 38.89 1n0f h ASN 117 CO -0.52 0.18 0.00 -0.07 -0.00 0.00 0.00 177.43 177.03 1n0f h LEU 118 N 0.57 0.19 -1.23 6.14 4.07 -1.57 -0.21 115.31 123.27 1n0f h LEU 118 Ca 0.45 -0.30 0.29 0.00 0.08 0.00 0.00 57.88 58.40 1n0f h LEU 118 Cb 0.65 -0.05 -0.11 0.00 1.08 0.00 0.00 40.66 42.23 1n0f h LEU 118 CO -0.38 0.45 0.66 0.40 -1.08 0.00 0.00 178.44 178.50 1n0f h ILE 119 N -0.07 0.44 0.15 1.22 1.08 0.24 -0.83 117.51 119.75 1n0f h ILE 119 Ca 0.03 -0.13 -0.22 0.00 -0.39 0.00 0.00 64.86 64.15 1n0f h ILE 119 Cb 0.35 0.02 0.02 0.00 -3.07 0.00 0.00 36.82 34.14 1n0f h ILE 119 CO 0.01 0.07 -0.99 0.78 -0.69 0.00 0.00 178.15 177.32 1n0f h ASN 120 N 0.39 0.50 -0.39 1.72 2.35 -0.86 -2.20 115.58 117.09 1n0f h ASN 120 Ca 0.66 -0.93 0.05 0.00 -0.55 0.00 0.00 56.30 55.52 1n0f h ASN 120 Cb 1.60 -0.16 -0.08 0.00 0.05 0.00 0.00 38.32 39.73 1n0f h ASN 120 CO -0.40 1.47 -0.55 0.44 -1.65 0.00 0.00 177.43 176.74 1n0f h ASP 121 N -0.30 -1.84 -3.54 5.81 3.32 0.41 -3.29 116.42 116.99 1n0f h ASP 121 Ca -0.18 0.24 -0.52 0.00 0.02 0.00 0.00 57.03 56.58 1n0f h ASP 121 Cb 1.73 0.75 -0.03 0.00 0.22 0.00 0.00 39.33 42.00 1n0f h ASP 121 CO 0.15 -0.40 0.21 0.00 -1.72 0.00 0.00 179.24 177.48 1n0f s ALA 122 N -5.62 3.41 -0.42 3.45 0.00 -0.97 -4.90 121.76 116.72 1n0f s ALA 122 Ca -0.14 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.15 1n0f s ALA 122 Cb 0.08 -3.01 -0.18 0.00 0.00 0.00 0.00 23.12 20.00 1n0f s ALA 122 CO 0.61 0.23 3.03 1.63 0.00 0.00 0.00 175.76 181.25 1n0f n LYS 123 N 1.83 2.14 -1.66 0.00 4.76 -1.24 -4.62 118.16 119.38 1n0f n LYS 123 Ca -0.04 -1.18 -0.40 0.00 -2.87 0.00 0.00 58.31 53.81 1n0f n LYS 123 Cb 0.49 -2.15 0.02 0.00 -1.84 0.00 0.00 35.03 31.55 1n0f n LYS 123 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1n0f n LEU 124 N 2.94 3.65 0.06 -0.35 4.32 -0.83 -4.85 117.00 121.94 1n0f n LEU 124 Ca 0.46 1.01 0.00 0.00 -0.02 0.00 0.00 56.01 57.46 1n0f n LEU 124 Cb 0.61 -1.44 0.00 0.00 -1.62 0.00 0.00 43.42 40.97 1n0f n LEU 124 CO 0.34 -1.14 0.00 -0.67 -1.22 0.00 0.00 177.39 174.70 1n0f n ASP 125 N 0.00 -0.57 -3.65 -1.43 2.03 -1.26 -4.83 116.55 106.85 1n0f n ASP 125 Ca 0.09 0.21 -0.01 0.00 0.52 0.00 0.00 54.79 55.60 1n0f n ASP 125 Cb 0.41 0.71 -0.06 0.00 -0.72 0.00 0.00 41.12 41.46 1n0f n ASP 125 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1n0f s LYS 126 N -1.30 0.25 0.00 -0.67 2.20 -1.26 -4.77 119.74 114.19 1n0f s LYS 126 Ca 0.00 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1n0f s LYS 126 Cb 0.00 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1n0f s LYS 126 CO 0.00 -0.05 0.00 0.39 -0.36 0.00 0.00 175.35 175.33 1n0f n GLU 127 N 3.45 0.00 -4.03 4.03 1.02 -1.25 -4.87 120.64 118.99 1n0f n GLU 127 Ca -0.18 0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 56.84 1n0f n GLU 127 Cb 0.57 -0.32 -0.04 0.00 -0.02 0.00 0.00 31.44 31.63 1n0f n GLU 127 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1n0f s ILE 128 N -0.20 4.91 -0.07 -3.67 -1.09 0.11 -1.43 121.20 119.76 1n0f s ILE 128 Ca 0.00 -1.05 0.02 0.00 -2.23 0.00 0.00 60.65 57.39 1n0f s ILE 128 Cb 0.00 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1n0f s ILE 128 CO 0.00 -0.24 -0.11 -0.69 -1.23 0.00 0.00 174.94 172.67 1n0f s VAL 129 N -1.92 1.08 -0.17 2.92 1.01 0.52 -0.85 120.40 122.99 1n0f s VAL 129 Ca 0.33 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 1n0f s VAL 129 Cb -0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1n0f s VAL 129 CO 0.27 0.35 -0.04 -0.76 0.00 0.00 0.00 175.10 174.92 1n0f s LEU 130 N 0.77 3.15 0.03 3.92 1.43 0.63 -0.37 118.68 128.24 1n0f s LEU 130 Ca -0.13 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.85 1n0f s LEU 130 Cb -0.15 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 1n0f s LEU 130 CO 0.02 0.11 -0.22 0.27 0.23 0.00 0.00 176.35 176.76 1n0f s ILE 131 N 0.70 2.45 0.08 -0.59 -4.36 -0.65 -0.43 121.20 118.39 1n0f s ILE 131 Ca -0.02 -1.23 -0.25 0.00 -0.26 0.00 0.00 60.65 58.88 1n0f s ILE 131 Cb -0.14 -1.98 -0.06 0.00 1.25 0.00 0.00 42.46 41.53 1n0f s ILE 131 CO 0.02 0.40 0.79 -0.83 0.24 0.00 0.00 174.94 175.55 1n0f s GLY 132 N -1.21 2.85 -0.19 6.27 0.00 0.38 -1.77 107.32 113.66 1n0f s GLY 132 Ca 0.13 0.33 0.14 0.00 0.00 0.00 0.00 44.72 45.32 1n0f s GLY 132 CO 0.03 1.07 1.20 -1.06 0.00 0.00 0.00 173.10 174.33 1n0f n GLN 133 N 2.48 1.62 0.00 2.90 1.13 0.24 -4.27 117.38 121.48 1n0f n GLN 133 Ca -0.03 -3.21 0.00 0.00 -1.94 0.00 0.00 57.00 51.82 1n0f n GLN 133 Cb 0.50 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.43 1n0f n GLN 133 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1n0f n PHE 134 N -0.71 0.00 -0.06 1.08 7.35 0.23 -3.50 117.46 121.85 1n0f n PHE 134 Ca 0.20 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.75 1n0f n PHE 134 Cb 0.83 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.59 1n0f n PHE 134 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1n0f h ASP 135 N 0.00 0.60 -3.81 -2.13 3.32 -1.91 -2.68 116.42 109.80 1n0f h ASP 135 Ca 0.00 -0.55 -0.30 0.00 0.02 0.00 0.00 57.03 56.20 1n0f h ASP 135 Cb 0.00 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.30 1n0f h ASP 135 CO 0.00 1.03 -0.28 0.00 -1.72 0.00 0.00 179.24 178.27 1n0f n HIS 136 N -4.33 -0.64 -4.47 4.55 1.44 -1.23 -4.78 115.22 105.76 1n0f n HIS 136 Ca -0.06 -1.85 -0.30 0.00 -2.01 0.00 0.00 57.72 53.50 1n0f n HIS 136 Cb 0.49 0.23 -0.13 0.00 0.12 0.00 0.00 29.99 30.70 1n0f n HIS 136 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1n0f s LEU 137 N 0.00 2.48 -0.06 2.39 2.96 -0.30 -0.59 118.68 125.55 1n0f s LEU 137 Ca 0.26 -0.61 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1n0f s LEU 137 Cb 0.01 -1.39 -0.00 0.00 0.50 0.00 0.00 46.19 45.31 1n0f s LEU 137 CO 0.18 0.20 -0.20 -1.61 -1.32 0.00 0.00 176.35 173.60 1n0f s GLU 138 N -1.88 2.28 -0.24 1.98 2.02 -0.73 0.36 118.70 122.50 1n0f s GLU 138 Ca 0.15 -0.73 -0.09 0.00 0.02 0.00 0.00 54.97 54.32 1n0f s GLU 138 Cb -0.10 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 1n0f s GLU 138 CO 0.07 0.24 0.12 0.42 0.02 0.00 0.00 175.26 176.13 1n0f s ILE 139 N 0.12 4.93 0.17 -1.63 1.01 -0.35 -1.64 121.20 123.82 1n0f s ILE 139 Ca -0.08 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.66 1n0f s ILE 139 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1n0f s ILE 139 CO 0.04 0.35 -0.13 0.26 0.00 0.00 0.00 174.94 175.46 1n0f s TRP 140 N 1.22 1.54 0.08 3.97 0.52 0.50 -4.20 118.94 122.57 1n0f s TRP 140 Ca 0.06 -0.62 -0.30 0.00 0.02 0.00 0.00 56.10 55.26 1n0f s TRP 140 Cb -0.14 -0.75 -0.05 0.00 -1.15 0.00 0.00 33.47 31.38 1n0f s TRP 140 CO 0.05 0.24 0.97 0.34 0.02 0.00 0.00 176.95 178.58 1n0f s ASP 141 N -3.10 7.45 0.17 2.95 2.15 -1.26 -0.35 116.67 124.68 1n0f s ASP 141 Ca 0.18 1.76 -0.16 0.00 0.43 0.00 0.00 52.55 54.76 1n0f s ASP 141 Cb -0.01 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 40.14 1n0f s ASP 141 CO 0.04 -0.13 1.68 0.50 -0.17 0.00 0.00 175.17 177.09 1n0f h LYS 142 N 5.96 0.04 0.20 4.34 3.64 -1.54 -0.12 116.57 129.09 1n0f h LYS 142 Ca -0.42 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1n0f h LYS 142 Cb 1.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1n0f h LYS 142 CO 0.73 0.03 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.62 1n0f h LYS 143 N 0.04 -0.26 -0.63 1.90 1.63 -1.92 -1.45 116.57 115.87 1n0f h LYS 143 Ca 0.20 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 60.12 1n0f h LYS 143 Cb 0.30 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.92 1n0f h LYS 143 CO -0.39 -0.16 0.24 -0.07 -3.45 0.00 0.00 179.45 175.62 1n0f h LEU 144 N -0.30 0.24 -0.65 5.20 4.07 -1.83 -0.23 115.31 121.82 1n0f h LEU 144 Ca -0.03 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1n0f h LEU 144 Cb 0.23 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 41.99 1n0f h LEU 144 CO 0.05 0.14 0.34 0.22 -1.08 0.00 0.00 178.44 178.11 1n0f h TYR 145 N 0.42 0.92 -0.72 1.13 3.20 -0.75 0.93 116.97 122.09 1n0f h TYR 145 Ca 0.32 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.09 1n0f h TYR 145 Cb 0.39 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1n0f h TYR 145 CO -0.16 0.67 0.19 0.93 -1.64 0.00 0.00 178.16 178.15 1n0f h GLU 146 N 0.90 1.15 -0.41 1.82 5.08 -0.67 -0.54 114.58 121.91 1n0f h GLU 146 Ca 0.23 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1n0f h GLU 146 Cb 0.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1n0f h GLU 146 CO -0.03 1.00 -0.07 -0.44 -1.00 0.00 0.00 179.01 178.47 1n0f h ASP 147 N 1.09 0.68 -0.25 1.42 3.32 -0.58 0.40 116.42 122.50 1n0f h ASP 147 Ca 0.23 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1n0f h ASP 147 Cb 0.36 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1n0f h ASP 147 CO -0.00 0.80 0.10 0.22 -1.72 0.00 0.00 179.24 178.63 1n0f h TYR 148 N 0.65 0.38 -0.39 4.55 3.20 -0.33 -1.85 116.97 123.18 1n0f h TYR 148 Ca 0.12 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1n0f h TYR 148 Cb 0.51 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 1n0f h TYR 148 CO 0.02 0.40 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.74 1n0f h LEU 149 N 0.25 0.70 -0.47 2.82 4.07 -0.65 -2.91 115.31 119.12 1n0f h LEU 149 Ca 0.08 -0.21 0.01 0.00 0.08 0.00 0.00 57.88 57.84 1n0f h LEU 149 Cb 0.19 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.71 1n0f h LEU 149 CO -0.01 0.85 0.31 0.00 -1.08 0.00 0.00 178.44 178.51 1n0f h ALA 150 N 1.21 0.60 -3.00 1.53 0.00 0.09 -3.41 119.26 116.29 1n0f h ALA 150 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n0f h ALA 150 Cb 0.59 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1n0f h ALA 150 CO 0.04 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1n0f n ASN 151 N -4.77 0.00 -1.90 0.00 3.02 -0.72 -4.97 115.26 105.92 1n0f n ASN 151 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1n0f n ASN 151 Cb 0.03 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.20 1n0f n ASN 151 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1n0f n SER 152 N 0.00 -9.14 -2.89 6.41 3.41 -1.23 -4.94 113.62 105.24 1n0f n SER 152 Ca 0.00 1.37 -0.13 0.00 -0.26 0.00 0.00 58.87 59.85 1n0f n SER 152 Cb 0.00 -5.09 0.10 0.00 -0.26 0.00 0.00 64.21 58.96 1n0f n SER 152 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1n0f n GLU 153 N 0.43 -1.00 -1.46 4.33 1.02 -1.26 -5.01 120.64 117.69 1n0f n GLU 153 Ca 0.00 -0.88 -0.33 0.00 -0.02 0.00 0.00 57.16 55.93 1n0f n GLU 153 Cb 0.00 -0.65 0.08 0.00 -0.02 0.00 0.00 31.44 30.86 1n0f n GLU 153 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1n0f s SER 154 N -3.07 4.44 0.25 1.62 1.04 -1.26 -4.82 113.70 111.91 1n0f s SER 154 Ca 0.33 2.14 -0.05 0.00 0.48 0.00 0.00 55.95 58.84 1n0f s SER 154 Cb -0.02 -2.56 0.29 0.00 0.10 0.00 0.00 66.02 63.83 1n0f s SER 154 CO 0.24 -2.08 1.92 0.25 0.98 0.00 0.00 173.24 174.54 1n0f h LEU 155 N -0.44 1.12 -0.18 2.42 5.85 -1.99 0.08 115.31 122.16 1n0f h LEU 155 Ca -0.46 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 1n0f h LEU 155 Cb 1.27 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1n0f h LEU 155 CO 0.51 0.79 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.97 1n0f h GLU 156 N 1.31 0.39 -0.46 1.25 3.07 -1.99 -1.63 114.58 116.51 1n0f h GLU 156 Ca 0.38 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 1n0f h GLU 156 Cb -0.08 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 1n0f h GLU 156 CO -0.10 0.69 0.23 1.15 -1.40 0.00 0.00 179.01 179.58 1n0f h THR 157 N 0.07 1.18 -0.52 1.13 2.02 -1.82 -1.01 112.91 113.97 1n0f h THR 157 Ca 0.04 -0.49 -0.12 0.00 0.77 0.00 0.00 66.41 66.60 1n0f h THR 157 Cb 0.57 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1n0f h THR 157 CO 0.03 0.19 -0.17 0.58 0.37 0.00 0.00 175.52 176.53 1n0f h VAL 158 N 0.60 1.27 -0.08 3.16 2.07 -1.00 -3.09 116.25 119.18 1n0f h VAL 158 Ca 0.16 -1.33 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 1n0f h VAL 158 Cb 0.10 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1n0f h VAL 158 CO -0.02 0.47 -0.41 0.00 0.02 0.00 0.00 177.57 177.63 1n0f h ALA 159 N 0.90 1.17 0.00 1.67 0.00 -1.09 -2.67 119.26 119.24 1n0f h ALA 159 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1n0f h ALA 159 Cb 0.74 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1n0f h ALA 159 CO 0.06 0.57 -0.04 1.49 0.00 0.00 0.00 179.25 181.33 1n0f h GLU 160 N 0.15 0.00 0.00 0.00 4.57 -1.10 -2.18 114.58 116.02 1n0f h GLU 160 Ca 0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1n0f h GLU 160 Cb 0.78 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1n0f h GLU 160 CO 0.06 0.04 -0.55 0.00 -1.18 0.00 0.00 179.01 177.37 1n0f h ARG 161 N 0.00 0.00 0.00 1.92 3.08 -1.53 -3.52 114.38 114.33 1n0f h ARG 161 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1n0f h ARG 161 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1n0f h ARG 161 CO 0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57