#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d0j s LYS 2 N 0.00 0.87 0.79 0.00 1.02 -1.26 -5.26 119.74 115.90 3d0j s LYS 2 Ca 0.00 0.29 -0.12 0.00 0.02 0.00 0.00 55.97 56.16 3d0j s LYS 2 Cb 0.00 0.41 0.07 0.00 -0.52 0.00 0.00 37.83 37.79 3d0j s LYS 2 CO 0.00 -0.23 1.13 -1.25 -0.92 0.00 0.00 175.35 174.08 3d0j s PRO 3 N -0.85 1.92 0.32 -1.68 0.04 -1.26 -4.97 135.00 128.51 3d0j s PRO 3 Ca -0.09 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.10 3d0j s PRO 3 Cb -0.02 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 3d0j s PRO 3 CO 0.06 -1.94 1.14 -0.51 0.04 0.00 0.00 177.00 175.79 3d0j s ASP 4 N -2.78 7.04 -0.15 6.66 1.01 -1.26 -5.02 116.67 122.16 3d0j s ASP 4 Ca 0.66 2.33 0.01 0.00 0.71 0.00 0.00 52.55 56.26 3d0j s ASP 4 Cb -0.22 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.11 3d0j s ASP 4 CO 0.52 -0.31 -0.15 -0.63 0.21 0.00 0.00 175.17 174.81 3d0j s ILE 5 N -1.23 1.61 0.01 0.77 1.01 -1.26 -5.12 121.20 116.99 3d0j s ILE 5 Ca 0.48 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.54 3d0j s ILE 5 Cb -0.32 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3d0j s ILE 5 CO 0.42 0.47 -0.22 -0.31 0.00 0.00 0.00 174.94 175.29 3d0j s TYR 6 N 1.40 2.45 0.12 3.97 2.02 -1.26 -5.13 117.35 120.92 3d0j s TYR 6 Ca 0.03 -0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 56.35 3d0j s TYR 6 Cb -0.13 -1.48 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 3d0j s TYR 6 CO -0.10 0.13 0.14 -1.83 -1.57 0.00 0.00 175.55 172.32 3d0j s GLU 7 N -1.04 0.93 -0.13 -0.62 -1.05 -1.26 -5.14 118.70 110.38 3d0j s GLU 7 Ca 0.12 -1.22 -0.02 0.00 -0.15 0.00 0.00 54.97 53.70 3d0j s GLU 7 Cb -0.10 0.30 0.04 0.00 -0.44 0.00 0.00 34.13 33.93 3d0j s GLU 7 CO 0.02 -0.29 0.01 1.21 0.95 0.00 0.00 175.26 177.17 3d0j s ASN 8 N -2.96 2.22 -0.07 0.83 2.47 -1.26 -4.99 114.94 111.18 3d0j s ASN 8 Ca 0.15 -0.44 0.14 0.00 0.42 0.00 0.00 52.86 53.13 3d0j s ASN 8 Cb 0.06 -0.53 0.45 0.00 -1.45 0.00 0.00 41.25 39.78 3d0j s ASN 8 CO -0.03 -0.24 1.37 0.59 -3.72 0.00 0.00 177.10 175.06 3d0j n ASN 9 N 5.10 3.53 -4.99 -4.21 5.03 -1.26 -4.94 115.26 113.51 3d0j n ASN 9 Ca -0.08 -2.39 -0.19 0.00 0.87 0.00 0.00 54.58 52.79 3d0j n ASN 9 Cb 0.49 -0.39 -0.00 0.00 -1.02 0.00 0.00 39.78 38.86 3d0j n ASN 9 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3d0j s ARG 10 N -1.71 3.03 0.37 3.52 0.52 -1.26 -5.08 118.95 118.35 3d0j s ARG 10 Ca 0.34 -1.08 -0.28 0.00 -0.52 0.00 0.00 55.73 54.19 3d0j s ARG 10 Cb 0.22 -2.79 -0.10 0.00 0.52 0.00 0.00 34.95 32.80 3d0j s ARG 10 CO 0.15 -0.02 1.38 -2.00 0.02 0.00 0.00 175.30 174.83 3d0j s GLU 11 N -4.21 4.15 4.35 3.54 2.12 -1.26 -4.60 118.70 122.79 3d0j s GLU 11 Ca 0.47 2.35 0.00 0.00 0.36 0.00 0.00 54.97 58.16 3d0j s GLU 11 Cb -0.09 -2.95 0.00 0.00 0.26 0.00 0.00 34.13 31.34 3d0j s GLU 11 CO 0.31 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 3d0j n GLY 12 N 0.63 0.97 3.83 -1.50 0.00 -0.50 -4.83 105.19 103.79 3d0j n GLY 12 Ca 0.01 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 3d0j n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d0j s ILE 13 N 0.00 5.38 -0.09 -0.61 1.01 -1.26 -0.91 121.20 124.72 3d0j s ILE 13 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3d0j s ILE 13 Cb 0.00 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.99 3d0j s ILE 13 CO 0.00 0.55 -0.08 -0.22 0.00 0.00 0.00 174.94 175.19 3d0j s LEU 14 N -0.60 1.30 -0.38 2.97 2.96 -0.48 -5.01 118.68 119.43 3d0j s LEU 14 Ca 0.16 -0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 53.61 3d0j s LEU 14 Cb -0.13 -0.79 0.01 0.00 0.50 0.00 0.00 46.19 45.78 3d0j s LEU 14 CO 0.05 -0.07 0.50 0.00 -1.32 0.00 0.00 176.35 175.50 3d0j n VAL 16 N 5.48 0.74 -3.83 0.00 0.24 -0.36 -4.90 118.33 115.70 3d0j n VAL 16 Ca -0.05 -0.64 -0.13 0.00 -2.04 0.00 0.00 64.34 61.47 3d0j n VAL 16 Cb 0.48 -0.37 -0.14 0.00 -1.47 0.00 0.00 33.84 32.34 3d0j n VAL 16 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3d0j s TYR 17 N -3.10 -0.02 -0.22 6.34 5.04 -1.00 -5.01 117.35 119.39 3d0j s TYR 17 Ca -0.06 0.12 -0.12 0.00 -2.44 0.00 0.00 57.07 54.57 3d0j s TYR 17 Cb 0.10 -0.06 0.07 0.00 0.35 0.00 0.00 41.96 42.41 3d0j s TYR 17 CO 0.85 -0.05 0.54 0.21 -1.34 0.00 0.00 175.55 175.76 3d0j s LYS 18 N 0.39 0.53 0.00 4.97 2.20 -1.26 -0.68 119.74 125.90 3d0j s LYS 18 Ca -0.03 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.56 3d0j s LYS 18 Cb -0.05 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 3d0j s LYS 18 CO -0.01 -0.15 0.00 0.27 -0.36 0.00 0.00 175.35 175.09 3d0j n ASN 19 N 4.29 1.66 0.00 1.43 0.23 -0.55 -5.02 115.26 117.30 3d0j n ASN 19 Ca -0.22 -0.20 0.12 0.00 -0.53 0.00 0.00 54.58 53.76 3d0j n ASN 19 Cb 0.57 0.00 0.68 0.00 -2.08 0.00 0.00 39.78 38.95 3d0j n ASN 19 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3d0j n GLU 20 N 0.00 0.59 0.02 -3.83 1.02 -1.26 -4.19 120.64 112.99 3d0j n GLU 20 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3d0j n GLU 20 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3d0j n GLU 20 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d0j n LYS 21 N -1.12 0.00 -4.42 3.49 5.02 -1.26 -4.85 118.16 115.02 3d0j n LYS 21 Ca 0.16 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.23 3d0j n LYS 21 Cb 0.13 -0.40 -0.09 0.00 -0.02 0.00 0.00 35.03 34.65 3d0j n LYS 21 CO 0.00 0.00 0.00 1.67 -0.52 0.00 0.00 177.40 178.55 3d0j s TRP 22 N -2.00 1.74 -0.06 2.13 -2.14 -1.26 -1.04 118.94 116.32 3d0j s TRP 22 Ca 0.00 -1.24 -0.03 0.00 2.66 0.00 0.00 56.10 57.49 3d0j s TRP 22 Cb 0.00 -1.06 0.03 0.00 -3.10 0.00 0.00 33.47 29.34 3d0j s TRP 22 CO 0.00 -0.31 0.13 -1.17 -2.66 0.00 0.00 176.95 172.94 3d0j s LEU 23 N -3.47 1.09 -0.12 -4.66 2.96 -0.22 -1.48 118.68 112.78 3d0j s LEU 23 Ca 0.32 0.27 0.03 0.00 -0.22 0.00 0.00 54.13 54.53 3d0j s LEU 23 Cb 0.05 0.37 0.01 0.00 0.50 0.00 0.00 46.19 47.12 3d0j s LEU 23 CO 0.16 -0.10 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.17 3d0j s VAL 24 N 0.68 2.01 0.15 1.68 1.01 0.15 -2.06 120.40 124.02 3d0j s VAL 24 Ca -0.05 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.06 3d0j s VAL 24 Cb -0.07 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3d0j s VAL 24 CO -0.03 0.54 -0.23 0.00 0.00 0.00 0.00 175.10 175.38 3d0j s ILE 26 N -1.48 3.47 -0.18 0.00 1.01 0.03 -1.12 121.20 122.93 3d0j s ILE 26 Ca 0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 3d0j s ILE 26 Cb -0.08 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.85 3d0j s ILE 26 CO 0.07 0.46 -0.14 -0.75 0.00 0.00 0.00 174.94 174.58 3d0j s LYS 27 N 0.91 3.19 0.58 2.79 2.20 -1.26 -1.39 119.74 126.77 3d0j s LYS 27 Ca -0.01 -0.74 0.08 0.00 -0.36 0.00 0.00 55.97 54.94 3d0j s LYS 27 Cb -0.15 -2.70 0.09 0.00 -1.51 0.00 0.00 37.83 33.56 3d0j s LYS 27 CO 0.01 -0.10 0.81 -0.80 -0.36 0.00 0.00 175.35 174.90 3d0j s ASN 28 N 1.12 5.03 0.50 1.43 0.01 -0.08 -4.33 114.94 118.61 3d0j s ASN 28 Ca 0.01 -0.76 -0.23 0.00 -0.71 0.00 0.00 52.86 51.17 3d0j s ASN 28 Cb -0.14 0.20 -0.07 0.00 0.41 0.00 0.00 41.25 41.64 3d0j s ASN 28 CO -0.05 -1.38 1.17 1.87 -1.51 0.00 0.00 177.10 177.21 3d0j n TRP 29 N -2.30 1.69 -3.88 2.20 -0.00 -1.21 -3.33 117.44 110.60 3d0j n TRP 29 Ca 0.15 0.48 -0.10 0.00 -0.00 0.00 0.00 57.50 58.03 3d0j n TRP 29 Cb 0.61 -2.29 -0.09 0.00 -0.00 0.00 0.00 31.31 29.55 3d0j n TRP 29 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 177.69 176.10 3d0j s LYS 30 N -2.48 0.66 0.29 5.87 -2.85 -1.26 -1.41 119.74 118.56 3d0j s LYS 30 Ca 0.68 -0.71 0.04 0.00 -1.00 0.00 0.00 55.97 54.98 3d0j s LYS 30 Cb -0.47 0.27 0.70 0.00 -2.06 0.00 0.00 37.83 36.26 3d0j s LYS 30 CO 0.53 -0.18 1.77 -1.35 0.10 0.00 0.00 175.35 176.21 3d0j h PRO 31 N 3.48 0.68 -0.00 1.78 0.11 -1.96 -1.89 132.00 134.20 3d0j h PRO 31 Ca -0.32 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3d0j h PRO 31 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3d0j h PRO 31 CO 0.50 0.45 0.00 -0.40 -0.21 0.00 0.00 178.00 178.34 3d0j n ASP 32 N -4.81 0.06 -0.04 -2.05 5.75 -1.26 -1.37 116.55 112.82 3d0j n ASP 32 Ca 0.22 -1.28 0.08 0.00 -0.01 0.00 0.00 54.79 53.80 3d0j n ASP 32 Cb 0.55 -0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.56 3d0j n ASP 32 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3d0j n ASN 33 N -0.83 0.86 -4.76 -1.12 5.03 -0.74 -4.17 115.26 109.54 3d0j n ASN 33 Ca 0.18 -0.93 -0.35 0.00 0.87 0.00 0.00 54.58 54.35 3d0j n ASN 33 Cb 0.09 0.94 0.04 0.00 -1.02 0.00 0.00 39.78 39.84 3d0j n ASN 33 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3d0j s ASP 34 N -2.46 5.10 0.41 6.41 2.15 -0.47 -0.70 116.67 127.11 3d0j s ASP 34 Ca 0.07 2.25 0.14 0.00 0.43 0.00 0.00 52.55 55.45 3d0j s ASP 34 Cb 0.12 -2.58 1.00 0.00 -0.30 0.00 0.00 42.92 41.16 3d0j s ASP 34 CO 0.63 -1.65 1.89 -0.29 -0.17 0.00 0.00 175.17 175.59 3d0j h ILE 35 N 0.54 0.78 -0.00 4.11 2.10 -1.88 0.58 117.51 123.74 3d0j h ILE 35 Ca -0.49 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3d0j h ILE 35 Cb 1.28 0.25 0.00 0.00 -1.09 0.00 0.00 36.82 37.26 3d0j h ILE 35 CO 0.54 0.09 -0.04 -0.62 -1.08 0.00 0.00 178.15 177.04 3d0j n GLU 36 N -4.51 0.79 0.00 2.19 1.02 -1.26 -3.80 120.64 115.07 3d0j n GLU 36 Ca 0.16 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3d0j n GLU 36 Cb 0.55 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 3d0j n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d0j n GLY 37 N 1.19 -0.76 3.71 0.62 0.00 0.11 -5.03 105.19 105.04 3d0j n GLY 37 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3d0j n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3d0j n ILE 38 N -0.21 0.25 -0.09 -0.61 3.06 -0.70 -4.48 119.36 116.58 3d0j n ILE 38 Ca 0.00 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.19 3d0j n ILE 38 Cb 0.02 -1.89 0.00 0.00 0.54 0.00 0.00 39.64 38.31 3d0j n ILE 38 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3d0j n ALA 39 N 3.43 0.00 -3.24 1.51 0.00 -1.26 -4.95 120.51 116.00 3d0j n ALA 39 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.46 3d0j n ALA 39 Cb 0.34 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.75 3d0j n ALA 39 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3d0j s HIS 40 N 0.00 -0.38 0.36 0.00 0.00 -1.26 -1.24 115.29 112.76 3d0j s HIS 40 Ca 0.00 0.28 0.08 0.00 -3.00 0.00 0.00 55.06 52.42 3d0j s HIS 40 Cb 0.00 0.36 -0.04 0.00 -4.00 0.00 0.00 32.58 28.90 3d0j s HIS 40 CO 0.00 -0.70 0.17 -0.51 -1.00 0.00 0.00 174.74 172.69 3d0j s LEU 41 N -2.36 3.25 0.24 5.38 1.43 -0.40 -4.89 118.68 121.33 3d0j s LEU 41 Ca -0.02 -0.82 0.10 0.00 -1.03 0.00 0.00 54.13 52.37 3d0j s LEU 41 Cb -0.00 -1.72 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 3d0j s LEU 41 CO -0.07 -0.36 -0.19 -0.70 0.23 0.00 0.00 176.35 175.26 3d0j s GLU 42 N -3.88 1.52 -0.06 1.70 2.12 0.27 -1.38 118.70 118.99 3d0j s GLU 42 Ca 0.39 -1.65 -0.06 0.00 0.36 0.00 0.00 54.97 54.01 3d0j s GLU 42 Cb -0.02 -1.56 0.02 0.00 0.26 0.00 0.00 34.13 32.83 3d0j s GLU 42 CO 0.23 0.30 0.17 -1.50 -0.54 0.00 0.00 175.26 173.91 3d0j s ILE 43 N -2.46 -0.00 -0.22 -3.70 2.07 0.12 -0.57 121.20 116.44 3d0j s ILE 43 Ca 0.25 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.44 3d0j s ILE 43 Cb -0.04 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.28 3d0j s ILE 43 CO 0.11 0.00 0.01 -1.00 -1.91 0.00 0.00 174.94 172.15 3d0j s HIS 44 N 0.09 3.04 -0.51 3.50 3.76 -1.26 -1.17 115.29 122.74 3d0j s HIS 44 Ca -0.00 -0.54 0.24 0.00 -0.15 0.00 0.00 55.06 54.61 3d0j s HIS 44 Cb -0.01 -2.12 0.46 0.00 1.11 0.00 0.00 32.58 32.01 3d0j s HIS 44 CO 0.00 -0.32 1.65 0.45 -0.85 0.00 0.00 174.74 175.67 3d0j h HIS 45 N 7.77 0.00 0.00 1.40 -0.00 -0.88 0.16 115.15 123.61 3d0j h HIS 45 Ca -0.37 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 59.83 3d0j h HIS 45 Cb 1.17 0.00 -0.35 0.00 -0.00 0.00 0.00 27.41 28.24 3d0j h HIS 45 CO 0.61 0.00 -0.93 -1.13 -0.00 0.00 0.00 177.93 176.48 3d0j n SER 46 N -2.89 0.72 -3.71 2.45 3.41 -1.25 -4.64 113.62 107.72 3d0j n SER 46 Ca 0.04 -2.00 -0.14 0.00 -0.26 0.00 0.00 58.87 56.52 3d0j n SER 46 Cb 0.51 -0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 64.15 3d0j n SER 46 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3d0j s THR 47 N 0.00 0.02 0.66 6.66 -1.32 -1.26 -4.95 115.64 115.44 3d0j s THR 47 Ca 0.29 -0.15 -0.11 0.00 -1.21 0.00 0.00 61.69 60.50 3d0j s THR 47 Cb 0.33 -0.68 -0.02 0.00 -1.51 0.00 0.00 72.50 70.63 3d0j s THR 47 CO -0.14 -0.08 1.06 -1.81 -2.21 0.00 0.00 174.62 171.43 3d0j s ASP 48 N -0.46 5.88 -0.03 8.08 1.01 -1.26 -3.18 116.67 126.73 3d0j s ASP 48 Ca -0.06 1.32 -0.01 0.00 0.71 0.00 0.00 52.55 54.51 3d0j s ASP 48 Cb -0.03 -2.27 0.02 0.00 1.01 0.00 0.00 42.92 41.65 3d0j s ASP 48 CO 0.03 -1.08 0.06 -0.70 0.21 0.00 0.00 175.17 173.69 3d0j s GLU 49 N -5.24 0.03 0.04 8.23 2.12 -0.54 -4.34 118.70 119.00 3d0j s GLU 49 Ca 0.56 0.16 0.04 0.00 0.36 0.00 0.00 54.97 56.10 3d0j s GLU 49 Cb -0.11 -0.11 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 3d0j s GLU 49 CO 0.53 -0.09 -0.04 -0.65 -0.54 0.00 0.00 175.26 174.47 3d0j s GLN 50 N 0.61 2.53 -0.01 4.30 1.11 -0.41 -0.54 119.66 127.24 3d0j s GLN 50 Ca -0.05 -0.78 0.05 0.00 0.01 0.00 0.00 55.36 54.60 3d0j s GLN 50 Cb -0.07 -2.51 -0.01 0.00 -1.01 0.00 0.00 33.01 29.41 3d0j s GLN 50 CO -0.02 0.58 -0.17 -0.06 0.01 0.00 0.00 175.29 175.63 3d0j s PHE 51 N -1.12 1.49 -0.08 0.91 0.08 0.54 -0.99 117.98 118.79 3d0j s PHE 51 Ca 0.20 -0.29 -0.01 0.00 0.12 0.00 0.00 56.93 56.95 3d0j s PHE 51 Cb -0.11 -0.95 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 3d0j s PHE 51 CO 0.12 -0.02 -0.01 0.42 -0.10 0.00 0.00 175.22 175.63 3d0j s ILE 52 N -0.42 0.52 -0.01 0.64 1.01 -1.26 -1.69 121.20 119.98 3d0j s ILE 52 Ca 0.06 0.01 -0.28 0.00 0.00 0.00 0.00 60.65 60.45 3d0j s ILE 52 Cb -0.07 -0.66 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 3d0j s ILE 52 CO -0.00 0.27 0.89 -0.22 0.00 0.00 0.00 174.94 175.87 3d0j s LEU 53 N 1.91 4.37 -0.18 2.97 2.96 -1.26 -4.78 118.68 124.67 3d0j s LEU 53 Ca 0.05 1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 55.43 3d0j s LEU 53 Cb -0.12 -3.42 -0.09 0.00 0.50 0.00 0.00 46.19 43.06 3d0j s LEU 53 CO -0.06 -0.19 -0.20 -0.24 -1.32 0.00 0.00 176.35 174.34 3d0j n SER 54 N 3.73 1.81 -4.00 3.68 2.88 0.54 -4.51 113.62 117.75 3d0j n SER 54 Ca 0.03 0.10 -0.09 0.00 -1.33 0.00 0.00 58.87 57.59 3d0j n SER 54 Cb 0.51 -0.43 -0.11 0.00 -0.75 0.00 0.00 64.21 63.43 3d0j n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3d0j s ALA 55 N -2.33 0.20 0.00 -1.46 0.00 -0.74 -4.95 121.76 112.48 3d0j s ALA 55 Ca -0.24 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3d0j s ALA 55 Cb 0.08 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3d0j s ALA 55 CO 0.35 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.30 3d0j n GLY 56 N 1.18 -0.87 3.56 0.00 0.00 -1.25 -1.58 105.19 106.23 3d0j n GLY 56 Ca -0.21 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.38 3d0j n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d0j s LYS 57 N 0.00 2.05 -0.05 1.61 1.02 -1.26 -4.92 119.74 118.19 3d0j s LYS 57 Ca 0.00 -1.17 -0.24 0.00 0.02 0.00 0.00 55.97 54.57 3d0j s LYS 57 Cb 0.00 -2.21 0.05 0.00 -0.52 0.00 0.00 37.83 35.16 3d0j s LYS 57 CO 0.00 0.46 0.54 0.00 -0.92 0.00 0.00 175.35 175.43 3d0j s ALA 58 N -1.47 -1.39 -0.06 5.17 0.00 -1.26 -3.81 121.76 118.95 3d0j s ALA 58 Ca 0.23 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.24 3d0j s ALA 58 Cb -0.10 -0.05 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3d0j s ALA 58 CO 0.14 -0.32 -0.25 0.42 0.00 0.00 0.00 175.76 175.75 3d0j s ILE 59 N -1.11 2.07 -0.20 0.00 1.01 -0.21 -4.62 121.20 118.13 3d0j s ILE 59 Ca -0.11 -1.07 -0.16 0.00 0.00 0.00 0.00 60.65 59.32 3d0j s ILE 59 Cb -0.02 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 3d0j s ILE 59 CO 0.07 0.57 0.39 -0.76 0.00 0.00 0.00 174.94 175.21 3d0j s LEU 60 N -0.19 4.16 -0.08 2.97 1.43 0.33 -0.37 118.68 126.92 3d0j s LEU 60 Ca -0.03 0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 3d0j s LEU 60 Cb -0.14 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 3d0j s LEU 60 CO 0.03 -0.06 0.39 -0.63 0.23 0.00 0.00 176.35 176.31 3d0j s ILE 61 N 1.27 5.16 0.09 -0.59 1.01 0.53 -0.53 121.20 128.13 3d0j s ILE 61 Ca 0.19 0.78 0.06 0.00 0.00 0.00 0.00 60.65 61.67 3d0j s ILE 61 Cb -0.15 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 3d0j s ILE 61 CO 0.08 0.46 -0.15 0.42 0.00 0.00 0.00 174.94 175.75 3d0j s THR 62 N -0.21 1.24 0.08 2.92 -4.23 -0.13 -1.49 115.64 113.81 3d0j s THR 62 Ca 0.22 -1.45 -0.19 0.00 -1.18 0.00 0.00 61.69 59.09 3d0j s THR 62 Cb -0.15 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.47 3d0j s THR 62 CO 0.10 -0.26 0.46 0.00 -0.54 0.00 0.00 174.62 174.38 3d0j s ALA 63 N -1.50 -1.14 -0.02 3.99 0.00 -0.37 -0.32 121.76 122.39 3d0j s ALA 63 Ca 0.02 0.32 0.08 0.00 0.00 0.00 0.00 51.96 52.38 3d0j s ALA 63 Cb -0.09 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3d0j s ALA 63 CO 0.03 -0.55 -0.24 -1.21 0.00 0.00 0.00 175.76 173.78 3d0j s GLU 64 N -2.95 2.13 -0.20 0.00 2.02 -0.72 -2.72 118.70 116.27 3d0j s GLU 64 Ca -0.02 -0.92 -0.16 0.00 0.02 0.00 0.00 54.97 53.89 3d0j s GLU 64 Cb 0.00 -2.08 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 3d0j s GLU 64 CO -0.06 0.56 0.40 0.21 0.02 0.00 0.00 175.26 176.39 3d0j s LYS 65 N -0.69 4.17 -0.13 1.61 2.20 -1.26 -0.40 119.74 125.24 3d0j s LYS 65 Ca 0.10 0.19 -0.00 0.00 -0.36 0.00 0.00 55.97 55.91 3d0j s LYS 65 Cb -0.10 -3.54 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 3d0j s LYS 65 CO -0.00 -0.05 -0.10 -2.00 -0.36 0.00 0.00 175.35 172.84 3d0j s GLU 66 N 1.33 1.79 4.62 4.03 2.12 0.47 -4.98 118.70 128.09 3d0j s GLU 66 Ca 0.19 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.13 3d0j s GLU 66 Cb -0.15 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.43 3d0j s GLU 66 CO 0.08 -0.27 0.00 0.09 -0.54 0.00 0.00 175.26 174.62 3d0j n ASN 67 N 4.88 0.00 -0.83 -1.70 4.13 -1.26 -1.43 115.26 119.04 3d0j n ASN 67 Ca -0.14 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.20 3d0j n ASN 67 Cb 0.50 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 38.97 3d0j n ASN 67 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3d0j n ASP 68 N 6.22 3.63 -4.57 6.41 8.00 -1.26 -5.00 116.55 129.98 3d0j n ASP 68 Ca 0.00 -2.70 -0.25 0.00 0.71 0.00 0.00 54.79 52.55 3d0j n ASP 68 Cb 0.00 -0.45 -0.09 0.00 -0.02 0.00 0.00 41.12 40.56 3d0j n ASP 68 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 3d0j s LYS 69 N -2.26 1.94 -0.14 -1.24 -2.85 -0.52 -5.01 119.74 109.66 3d0j s LYS 69 Ca 0.37 -1.77 -0.06 0.00 -1.00 0.00 0.00 55.97 53.51 3d0j s LYS 69 Cb 0.27 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 34.15 3d0j s LYS 69 CO 0.11 0.21 0.08 -0.06 0.10 0.00 0.00 175.35 175.79 3d0j s PHE 70 N -2.52 3.38 -0.26 1.78 0.08 -1.26 -0.39 117.98 118.79 3d0j s PHE 70 Ca 0.33 0.30 -0.17 0.00 0.12 0.00 0.00 56.93 57.50 3d0j s PHE 70 Cb -0.01 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 3d0j s PHE 70 CO 0.18 0.46 0.49 -0.80 -0.10 0.00 0.00 175.22 175.45 3d0j s ASN 71 N -0.45 6.42 -0.07 1.36 0.01 0.47 -4.96 114.94 117.71 3d0j s ASN 71 Ca 0.10 0.50 0.01 0.00 -0.71 0.00 0.00 52.86 52.76 3d0j s ASN 71 Cb -0.12 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 3d0j s ASN 71 CO 0.02 -0.26 -0.08 -0.63 -1.51 0.00 0.00 177.10 174.63 3d0j s ILE 72 N 2.22 3.57 -0.04 0.60 1.01 -1.26 -1.75 121.20 125.54 3d0j s ILE 72 Ca 0.20 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.39 3d0j s ILE 72 Cb -0.16 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 3d0j s ILE 72 CO 0.09 0.59 -0.22 -1.61 0.00 0.00 0.00 174.94 173.78 3d0j s GLU 73 N -0.64 2.15 -0.09 2.79 0.41 0.56 -5.01 118.70 118.87 3d0j s GLU 73 Ca 0.10 -0.81 0.02 0.00 -0.41 0.00 0.00 54.97 53.87 3d0j s GLU 73 Cb -0.11 -1.90 -0.02 0.00 -1.78 0.00 0.00 34.13 30.31 3d0j s GLU 73 CO 0.02 0.38 -0.15 -0.51 -0.49 0.00 0.00 175.26 174.51 3d0j s LEU 74 N -0.23 2.67 -0.14 1.80 1.43 -1.26 -0.96 118.68 121.99 3d0j s LEU 74 Ca 0.00 -0.28 -0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3d0j s LEU 74 Cb -0.12 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3d0j s LEU 74 CO 0.02 0.25 -0.08 -0.89 0.23 0.00 0.00 176.35 175.88 3d0j s THR 75 N -0.18 1.19 0.00 5.49 2.01 0.31 -4.98 115.64 119.48 3d0j s THR 75 Ca -0.00 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.49 3d0j s THR 75 Cb -0.13 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3d0j s THR 75 CO 0.03 0.30 0.00 -0.11 -0.69 0.00 0.00 174.62 174.15 3d0j n LEU 76 N 4.87 0.00 -3.63 4.42 7.94 -1.26 -0.51 117.00 128.83 3d0j n LEU 76 Ca -0.13 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.65 3d0j n LEU 76 Cb 0.49 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.37 3d0j n LEU 76 CO 0.18 -0.07 0.44 -0.70 -1.11 0.00 0.00 177.39 176.13 3d0j s GLU 78 N 0.00 0.78 0.44 1.96 2.12 -1.26 -4.96 118.70 117.78 3d0j s GLU 78 Ca 0.00 0.99 -0.26 0.00 0.36 0.00 0.00 54.97 56.07 3d0j s GLU 78 Cb 0.00 0.34 -0.09 0.00 0.26 0.00 0.00 34.13 34.65 3d0j s GLU 78 CO 0.00 -0.10 1.44 0.15 -0.54 0.00 0.00 175.26 176.21 3d0j s LYS 79 N 0.59 3.74 0.00 4.30 1.02 -1.26 -2.72 119.74 125.41 3d0j s LYS 79 Ca -0.01 2.46 0.00 0.00 0.02 0.00 0.00 55.97 58.43 3d0j s LYS 79 Cb -0.05 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 3d0j s LYS 79 CO -0.03 -0.78 0.00 0.41 -0.92 0.00 0.00 175.35 174.02 3d0j n GLY 80 N 0.55 1.17 3.86 -3.33 0.00 -1.26 -5.05 105.19 101.13 3d0j n GLY 80 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 3d0j n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d0j s LYS 81 N -0.81 2.93 -0.06 1.61 1.02 -1.10 -5.13 119.74 118.20 3d0j s LYS 81 Ca 0.00 -1.10 0.06 0.00 0.02 0.00 0.00 55.97 54.94 3d0j s LYS 81 Cb 0.00 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 3d0j s LYS 81 CO 0.00 0.27 -0.23 0.08 -0.92 0.00 0.00 175.35 174.55 3d0j s VAL 82 N -2.18 2.28 -0.07 3.17 1.01 -1.26 -4.50 120.40 118.84 3d0j s VAL 82 Ca 0.37 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3d0j s VAL 82 Cb -0.07 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3d0j s VAL 82 CO 0.26 0.57 -0.13 -0.31 0.00 0.00 0.00 175.10 175.49 3d0j s TYR 83 N -0.27 2.75 -0.11 5.22 2.02 -0.68 -4.95 117.35 121.33 3d0j s TYR 83 Ca -0.00 -0.27 0.03 0.00 -0.37 0.00 0.00 57.07 56.46 3d0j s TYR 83 Cb -0.13 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3d0j s TYR 83 CO 0.03 0.09 -0.23 1.21 -1.57 0.00 0.00 175.55 175.08 3d0j s ASN 84 N -0.44 3.14 -0.37 2.29 2.47 -1.26 -0.34 114.94 120.44 3d0j s ASN 84 Ca 0.05 -0.56 -0.10 0.00 0.42 0.00 0.00 52.86 52.68 3d0j s ASN 84 Cb -0.12 -1.43 0.03 0.00 -1.45 0.00 0.00 41.25 38.28 3d0j s ASN 84 CO 0.02 0.14 0.18 -0.69 -3.72 0.00 0.00 177.10 173.04 3d0j s VAL 85 N 0.44 4.37 0.75 -5.21 1.01 0.30 -4.98 120.40 117.08 3d0j s VAL 85 Ca -0.16 -0.95 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 3d0j s VAL 85 Cb -0.17 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.79 3d0j s VAL 85 CO 0.07 -0.24 1.11 -2.84 0.00 0.00 0.00 175.10 173.20 3d0j s PRO 86 N 1.51 2.30 0.44 2.72 0.02 -1.26 -1.47 135.00 139.27 3d0j s PRO 86 Ca 0.01 1.32 -0.23 0.00 0.02 0.00 0.00 61.00 62.12 3d0j s PRO 86 Cb -0.19 -1.89 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 3d0j s PRO 86 CO 0.06 -1.63 0.94 0.00 -0.33 0.00 0.00 177.00 176.04 3d0j n ALA 87 N -3.18 -0.05 -1.12 -1.55 0.00 -1.19 -2.30 120.51 111.12 3d0j n ALA 87 Ca 0.10 0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.69 3d0j n ALA 87 Cb 0.52 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 3d0j n ALA 87 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d0j n GLU 88 N 0.07 -0.52 -4.24 0.00 -0.58 0.57 -5.01 120.64 110.93 3d0j n GLU 88 Ca 0.10 0.50 -0.34 0.00 -0.42 0.00 0.00 57.16 57.00 3d0j n GLU 88 Cb 0.40 -4.16 -0.13 0.00 -0.57 0.00 0.00 31.44 26.99 3d0j n GLU 88 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3d0j s TRP 90 N 0.75 3.07 0.23 0.00 0.52 -1.10 -4.52 118.94 117.90 3d0j s TRP 90 Ca -0.01 1.55 -0.18 0.00 0.02 0.00 0.00 56.10 57.48 3d0j s TRP 90 Cb -0.14 -3.40 0.02 0.00 -1.15 0.00 0.00 33.47 28.80 3d0j s TRP 90 CO 0.02 -1.32 0.60 -0.59 0.02 0.00 0.00 176.95 175.68 3d0j s PHE 91 N -1.41 -0.09 0.11 -1.98 -0.12 0.26 -1.24 117.98 113.52 3d0j s PHE 91 Ca 0.57 -0.29 -0.26 0.00 -0.05 0.00 0.00 56.93 56.90 3d0j s PHE 91 Cb -0.31 0.49 0.08 0.00 -0.63 0.00 0.00 43.02 42.65 3d0j s PHE 91 CO 0.39 -1.05 1.06 -0.47 -0.05 0.00 0.00 175.22 175.10 3d0j s TYR 92 N -3.91 -0.07 0.12 3.49 5.04 -0.56 -0.57 117.35 120.89 3d0j s TYR 92 Ca 0.12 -0.19 0.11 0.00 -2.44 0.00 0.00 57.07 54.66 3d0j s TYR 92 Cb -0.03 0.62 -0.04 0.00 0.35 0.00 0.00 41.96 42.87 3d0j s TYR 92 CO 0.02 -0.69 -0.27 -1.54 -1.34 0.00 0.00 175.55 171.73 3d0j s SER 93 N -3.04 3.33 -0.17 4.32 1.04 -1.26 -0.34 113.70 117.58 3d0j s SER 93 Ca 0.14 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 55.83 3d0j s SER 93 Cb 0.00 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 3d0j s SER 93 CO 0.01 0.19 -0.09 -0.63 0.98 0.00 0.00 173.24 173.70 3d0j s ILE 94 N -1.04 3.28 0.27 -1.02 1.01 0.50 -4.48 121.20 119.71 3d0j s ILE 94 Ca 0.14 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.25 3d0j s ILE 94 Cb -0.10 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3d0j s ILE 94 CO 0.06 0.48 0.13 0.42 0.00 0.00 0.00 174.94 176.03 3d0j s THR 95 N 0.79 0.37 0.43 2.92 -4.23 0.13 -1.05 115.64 115.01 3d0j s THR 95 Ca -0.03 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 3d0j s THR 95 Cb -0.15 -2.57 -0.06 0.00 1.34 0.00 0.00 72.50 71.06 3d0j s THR 95 CO 0.01 0.00 0.03 -1.10 -0.54 0.00 0.00 174.62 173.03 3d0j s GLN 96 N -3.97 2.03 0.54 3.99 -0.21 -1.25 -4.22 119.66 116.58 3d0j s GLN 96 Ca 0.37 -2.13 0.26 0.00 0.02 0.00 0.00 55.36 53.88 3d0j s GLN 96 Cb 0.07 -1.67 1.53 0.00 1.00 0.00 0.00 33.01 33.93 3d0j s GLN 96 CO 0.15 -0.12 2.14 0.87 -2.12 0.00 0.00 175.29 176.21 3d0j h LYS 97 N 1.65 0.00 -0.74 2.91 1.57 -1.98 -0.87 116.57 119.10 3d0j h LYS 97 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 3d0j h LYS 97 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 3d0j h LYS 97 CO 0.78 0.07 0.00 -0.40 -0.57 0.00 0.00 179.45 179.34 3d0j n ASP 98 N -3.88 4.05 -4.76 0.86 5.75 -1.26 -4.56 116.55 112.75 3d0j n ASP 98 Ca -0.02 -2.03 -0.40 0.00 -0.01 0.00 0.00 54.79 52.33 3d0j n ASP 98 Cb 0.17 -0.50 -0.04 0.00 -1.03 0.00 0.00 41.12 39.71 3d0j n ASP 98 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3d0j s THR 99 N -1.05 3.49 0.03 2.12 2.01 -0.33 -3.92 115.64 117.99 3d0j s THR 99 Ca 0.50 1.48 0.00 0.00 0.31 0.00 0.00 61.69 63.99 3d0j s THR 99 Cb 0.26 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3d0j s THR 99 CO 0.33 0.34 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.81 3d0j s LYS 100 N -1.51 0.41 -0.21 4.92 2.20 -0.62 -3.36 119.74 121.57 3d0j s LYS 100 Ca 0.45 -0.75 -0.33 0.00 -0.36 0.00 0.00 55.97 54.99 3d0j s LYS 100 Cb -0.31 0.02 0.15 0.00 -1.51 0.00 0.00 37.83 36.18 3d0j s LYS 100 CO 0.40 -0.03 1.22 1.52 -0.36 0.00 0.00 175.35 178.10 3d0j s TYR 103 N -1.83 -0.13 -0.05 4.03 -0.85 -0.27 -0.34 117.35 117.91 3d0j s TYR 103 Ca -0.11 0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.62 3d0j s TYR 103 Cb -0.07 0.50 0.00 0.00 0.38 0.00 0.00 41.96 42.77 3d0j s TYR 103 CO -0.02 -0.18 -0.14 0.08 -1.52 0.00 0.00 175.55 173.77 3d0j s VAL 104 N -1.91 1.26 0.37 -3.49 1.01 -0.16 -1.11 120.40 116.37 3d0j s VAL 104 Ca 0.08 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 3d0j s VAL 104 Cb -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 36.38 35.29 3d0j s VAL 104 CO -0.05 0.38 0.65 0.00 0.00 0.00 0.00 175.10 176.08 3d0j s GLN 105 N 0.33 2.11 0.42 2.72 -2.07 -0.87 -1.29 119.66 121.01 3d0j s GLN 105 Ca -0.09 -1.61 -0.26 0.00 -1.82 0.00 0.00 55.36 51.58 3d0j s GLN 105 Cb -0.13 0.54 -0.08 0.00 -1.09 0.00 0.00 33.01 32.25 3d0j s GLN 105 CO 0.03 -0.94 1.32 0.34 -1.32 0.00 0.00 175.29 174.72 3d0j s ASP 106 N -3.16 6.17 0.19 12.60 -1.08 -1.26 -1.05 116.67 129.08 3d0j s ASP 106 Ca 0.23 2.70 0.23 0.00 -0.52 0.00 0.00 52.55 55.18 3d0j s ASP 106 Cb -0.03 -2.64 0.90 0.00 -1.46 0.00 0.00 42.92 39.69 3d0j s ASP 106 CO 0.16 -0.95 1.69 -1.54 0.52 0.00 0.00 175.17 175.05 3d0j n SER 107 N -0.02 0.54 -4.56 -0.34 3.41 -0.20 -4.11 113.62 108.35 3d0j n SER 107 Ca 0.04 0.61 -0.39 0.00 -0.26 0.00 0.00 58.87 58.87 3d0j n SER 107 Cb 0.43 -0.74 -0.03 0.00 -0.26 0.00 0.00 64.21 63.62 3d0j n SER 107 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3d0j s ASN 108 N -4.02 5.46 -0.19 4.04 3.84 -1.26 -4.78 114.94 118.04 3d0j s ASN 108 Ca 0.06 0.35 0.13 0.00 0.21 0.00 0.00 52.86 53.61 3d0j s ASN 108 Cb 0.10 -2.53 0.40 0.00 -0.55 0.00 0.00 41.25 38.68 3d0j s ASN 108 CO 0.42 -2.23 1.21 0.00 -2.79 0.00 0.00 177.10 173.71 3d0j n SER 110 N -1.05 0.00 0.00 0.00 3.41 -1.26 -5.05 113.62 109.66 3d0j n SER 110 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3d0j n SER 110 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 3d0j n SER 110 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3d0j n ASP 112 N 0.00 0.00 -0.58 4.04 8.00 -1.26 -4.35 116.55 122.40 3d0j n ASP 112 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.56 3d0j n ASP 112 Cb 0.00 -0.01 0.14 0.00 -0.02 0.00 0.00 41.12 41.23 3d0j n ASP 112 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3d0j n ASN 113 N 0.62 1.63 -4.20 -2.24 0.23 -1.26 -5.01 115.26 105.03 3d0j n ASN 113 Ca 0.00 -3.22 -0.12 0.00 -0.53 0.00 0.00 54.58 50.72 3d0j n ASN 113 Cb 0.00 -0.44 -0.10 0.00 -2.08 0.00 0.00 39.78 37.16 3d0j n ASN 113 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3d0j s SER 114 N -2.75 0.51 0.10 0.53 0.01 -1.26 -0.10 113.70 110.74 3d0j s SER 114 Ca 0.32 -1.27 -0.11 0.00 1.31 0.00 0.00 55.95 56.20 3d0j s SER 114 Cb 0.31 0.27 0.01 0.00 0.21 0.00 0.00 66.02 66.83 3d0j s SER 114 CO -0.05 -0.73 0.27 -1.81 0.41 0.00 0.00 173.24 171.32 3d0j s ASP 115 N -3.13 -0.01 0.21 2.44 1.01 -0.32 -4.96 116.67 111.91 3d0j s ASP 115 Ca 0.30 -0.50 0.10 0.00 0.71 0.00 0.00 52.55 53.15 3d0j s ASP 115 Cb 0.07 0.38 -0.04 0.00 1.01 0.00 0.00 42.92 44.34 3d0j s ASP 115 CO 0.06 -0.75 -0.11 -0.36 0.21 0.00 0.00 175.17 174.22 3d0j s PHE 116 N -3.71 2.56 -0.08 4.23 0.08 -1.26 -0.70 117.98 119.11 3d0j s PHE 116 Ca 0.03 -0.25 -0.06 0.00 0.12 0.00 0.00 56.93 56.77 3d0j s PHE 116 Cb 0.03 -1.21 0.03 0.00 -0.57 0.00 0.00 43.02 41.30 3d0j s PHE 116 CO -0.11 0.56 0.20 0.00 -0.10 0.00 0.00 175.22 175.77 3d0j s ASP 118 N 0.58 5.92 0.33 0.00 1.01 -1.26 -1.27 116.67 121.97 3d0j s ASP 118 Ca -0.04 2.43 -0.14 0.00 0.71 0.00 0.00 52.55 55.50 3d0j s ASP 118 Cb -0.05 -2.61 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 3d0j s ASP 118 CO -0.03 -1.10 0.74 -0.76 0.21 0.00 0.00 175.17 174.23 3d0j s LEU 119 N -3.17 4.03 0.67 1.23 1.43 -0.37 -4.87 118.68 117.64 3d0j s LEU 119 Ca 0.66 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 3d0j s LEU 119 Cb -0.32 -4.07 -0.00 0.00 0.03 0.00 0.00 46.19 41.83 3d0j s LEU 119 CO 0.38 -0.23 1.06 -0.94 0.23 0.00 0.00 176.35 176.85 3d0j s SER 120 N -2.38 5.41 0.33 2.29 1.04 -1.26 -4.82 113.70 114.31 3d0j s SER 120 Ca 0.54 1.70 0.08 0.00 0.48 0.00 0.00 55.95 58.75 3d0j s SER 120 Cb -0.10 -2.51 0.79 0.00 0.10 0.00 0.00 66.02 64.30 3d0j s SER 120 CO 0.19 -1.42 1.82 0.50 0.98 0.00 0.00 173.24 175.31 3d0j h LYS 121 N -0.41 0.70 -0.10 4.02 3.64 -1.98 -0.49 116.57 121.96 3d0j h LYS 121 Ca -0.45 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.87 3d0j h LYS 121 Cb 1.22 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.87 3d0j h LYS 121 CO 0.56 0.47 -0.01 1.05 -2.27 0.00 0.00 179.45 179.25 3d0j h GLU 122 N 0.73 0.17 -0.81 1.90 4.11 -2.00 -2.02 114.58 116.66 3d0j h GLU 122 Ca 0.51 -0.06 0.05 0.00 0.07 0.00 0.00 59.36 59.94 3d0j h GLU 122 Cb 0.84 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 3d0j h GLU 122 CO -0.28 0.46 0.50 0.93 0.07 0.00 0.00 179.01 180.69 3d0j h GLU 123 N -0.12 0.91 -0.19 1.06 5.08 -1.77 -0.86 114.58 118.69 3d0j h GLU 123 Ca 0.03 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3d0j h GLU 123 Cb 0.38 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3d0j h GLU 123 CO 0.01 0.60 0.11 0.82 -1.00 0.00 0.00 179.01 179.55 3d0j h ILE 124 N 0.94 1.08 -0.79 3.13 2.04 -0.91 -0.26 117.51 122.74 3d0j h ILE 124 Ca 0.35 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3d0j h ILE 124 Cb 0.13 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3d0j h ILE 124 CO -0.16 0.07 0.37 -0.33 0.00 0.00 0.00 178.15 178.11 3d0j h GLU 125 N 0.22 1.14 -0.09 2.37 5.08 -1.00 0.45 114.58 122.74 3d0j h GLU 125 Ca 0.07 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3d0j h GLU 125 Cb 0.02 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3d0j h GLU 125 CO -0.01 0.89 0.06 -0.92 -1.00 0.00 0.00 179.01 178.03 3d0j h TYR 126 N 1.12 0.12 -0.49 4.33 3.20 -1.00 -0.09 116.97 124.16 3d0j h TYR 126 Ca 0.27 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3d0j h TYR 126 Cb 0.13 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 3d0j h TYR 126 CO 0.01 0.08 0.30 0.82 -1.64 0.00 0.00 178.16 177.74 3d0j h ILE 127 N 0.12 1.15 -0.42 1.81 2.04 -0.66 -2.31 117.51 119.24 3d0j h ILE 127 Ca 0.03 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3d0j h ILE 127 Cb -0.00 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3d0j h ILE 127 CO -0.01 0.15 0.25 1.56 0.00 0.00 0.00 178.15 180.10 3d0j h GLN 128 N 0.66 0.57 -0.26 2.37 4.20 -0.63 0.29 115.11 122.32 3d0j h GLN 128 Ca 0.18 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.88 3d0j h GLN 128 Cb -0.02 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 3d0j h GLN 128 CO -0.03 0.44 -0.02 1.15 -0.67 0.00 0.00 178.83 179.69 3d0j h THR 129 N 0.55 0.79 0.11 -0.54 2.02 -0.90 -1.43 112.91 113.51 3d0j h THR 129 Ca 0.15 -0.02 -0.27 0.00 0.77 0.00 0.00 66.41 67.05 3d0j h THR 129 Cb 0.01 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3d0j h THR 129 CO -0.03 0.01 -1.21 0.78 0.37 0.00 0.00 175.52 175.44 3d0j h ASN 130 N 0.05 0.38 -0.00 4.18 4.21 -1.22 -3.28 115.58 119.90 3d0j h ASN 130 Ca 0.12 -0.40 -0.13 0.00 1.21 0.00 0.00 56.30 57.10 3d0j h ASN 130 Cb 0.17 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.24 3d0j h ASN 130 CO -0.22 1.31 -0.40 0.00 -1.29 0.00 0.00 177.43 176.82 3d0j h ALA 131 N 0.63 0.89 -0.25 -0.83 0.00 -0.36 -0.27 119.26 119.08 3d0j h ALA 131 Ca -0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3d0j h ALA 131 Cb 1.94 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3d0j h ALA 131 CO 0.19 0.64 0.11 0.00 0.00 0.00 0.00 179.25 180.19 3d0j h ARG 132 N 0.43 0.34 0.04 0.00 3.08 -1.32 -0.55 114.38 116.40 3d0j h ARG 132 Ca 0.04 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 3d0j h ARG 132 Cb 0.89 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.88 3d0j h ARG 132 CO 0.08 0.27 -0.61 0.87 -1.07 0.00 0.00 179.97 179.51 3d0j h LYS 133 N 0.34 0.33 -0.47 0.04 1.57 -1.55 -3.34 116.57 113.49 3d0j h LYS 133 Ca 0.09 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 3d0j h LYS 133 Cb 0.06 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3d0j h LYS 133 CO -0.01 1.12 0.14 1.25 -0.57 0.00 0.00 179.45 181.38 3d0j h LEU 134 N -0.27 0.63 -2.37 2.94 5.85 -0.55 -0.71 115.31 120.84 3d0j h LEU 134 Ca -0.09 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.57 3d0j h LEU 134 Cb 1.37 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 3d0j h LEU 134 CO 0.12 0.61 0.18 -0.26 -0.34 0.00 0.00 178.44 178.74 3d0j h PHE 135 N 0.68 0.00 -0.15 1.25 0.05 -1.23 -1.83 116.94 115.71 3d0j h PHE 135 Ca 0.16 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.95 3d0j h PHE 135 Cb 0.21 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.16 3d0j h PHE 135 CO 0.01 0.00 0.00 0.39 -0.18 0.00 0.00 178.31 178.53 3d0j n GLU 136 N -3.45 1.99 0.00 1.51 -0.58 -0.28 -5.05 120.64 114.78 3d0j n GLU 136 Ca -0.00 -1.86 0.15 0.00 -0.42 0.00 0.00 57.16 55.02 3d0j n GLU 136 Cb 0.27 -1.41 0.64 0.00 -0.57 0.00 0.00 31.44 30.37 3d0j n GLU 136 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28