#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4r s ASN -5 N 0.00 4.15 1.22 -1.84 -0.87 -1.26 -5.15 114.94 111.19 3d4r s ASN -5 Ca 0.00 -1.34 -0.15 0.00 -1.57 0.00 0.00 52.86 49.80 3d4r s ASN -5 Cb 0.00 -0.15 0.30 0.00 -0.02 0.00 0.00 41.25 41.38 3d4r s ASN -5 CO 0.00 -0.62 1.01 -0.76 -2.57 0.00 0.00 177.10 174.16 3d4r s LEU -4 N -3.85 0.38 0.00 0.60 1.43 -1.26 -5.06 118.68 110.92 3d4r s LEU -4 Ca 0.30 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 3d4r s LEU -4 Cb 0.05 -3.08 0.00 0.00 0.03 0.00 0.00 46.19 43.20 3d4r s LEU -4 CO 0.16 -4.42 0.00 0.00 0.23 0.00 0.00 176.35 172.32 3d4r n TYR -3 N -5.04 0.00 -2.90 0.29 0.18 -1.26 -5.00 117.16 103.43 3d4r n TYR -3 Ca 0.05 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.73 3d4r n TYR -3 Cb 0.56 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.55 3d4r n TYR -3 CO 0.00 0.00 0.00 1.19 -2.08 0.00 0.00 176.86 175.97 3d4r n PHE -2 N -0.04 -1.15 -0.33 -3.48 3.72 -1.26 -4.97 117.46 109.96 3d4r n PHE -2 Ca 0.00 0.39 0.11 0.00 -0.05 0.00 0.00 57.45 57.91 3d4r n PHE -2 Cb 0.00 -2.65 0.29 0.00 -0.94 0.00 0.00 39.48 36.19 3d4r n PHE -2 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3d4r h GLN -1 N -1.05 0.64 0.00 -1.08 7.50 -2.05 -3.54 115.11 115.54 3d4r h GLN -1 Ca -0.23 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 58.88 3d4r h GLN -1 Cb 1.15 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.54 3d4r h GLN -1 CO 0.23 0.42 0.00 0.41 -1.50 0.00 0.00 178.83 178.40 3d4r n GLY 0 N -1.33 1.42 3.90 3.46 0.00 -1.26 -5.01 105.19 106.37 3d4r n GLY 0 Ca 0.21 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 46.11 3d4r n GLY 0 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4r s LYS 2 N 0.00 3.55 0.13 1.61 -0.14 -1.26 -5.29 119.74 118.35 3d4r s LYS 2 Ca 0.00 -0.16 0.09 0.00 -1.36 0.00 0.00 55.97 54.54 3d4r s LYS 2 Cb 0.00 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 33.09 3d4r s LYS 2 CO 0.00 0.60 -0.17 0.96 -0.76 0.00 0.00 175.35 175.98 3d4r s ILE 3 N -1.42 2.85 0.93 2.17 -4.36 -1.26 -4.93 121.20 115.18 3d4r s ILE 3 Ca 0.32 -1.56 -0.13 0.00 -0.26 0.00 0.00 60.65 59.02 3d4r s ILE 3 Cb -0.13 -2.33 0.15 0.00 1.25 0.00 0.00 42.46 41.40 3d4r s ILE 3 CO 0.20 0.06 1.14 -2.16 0.24 0.00 0.00 174.94 174.42 3d4r s PRO 4 N -2.28 0.97 -0.15 0.37 0.04 -1.26 -4.59 135.00 128.10 3d4r s PRO 4 Ca 0.19 0.27 -0.07 0.00 0.04 0.00 0.00 61.00 61.43 3d4r s PRO 4 Cb -0.10 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3d4r s PRO 4 CO 0.11 -2.31 0.07 0.15 0.04 0.00 0.00 177.00 175.06 3d4r s LYS 5 N -5.28 3.72 -0.10 4.56 1.02 -0.73 -4.86 119.74 118.07 3d4r s LYS 5 Ca 0.64 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 56.38 3d4r s LYS 5 Cb -0.15 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3d4r s LYS 5 CO 0.54 0.46 -0.24 -1.50 -0.92 0.00 0.00 175.35 173.69 3d4r s ILE 6 N -0.14 2.04 -0.08 2.17 2.07 -1.26 -0.45 121.20 125.55 3d4r s ILE 6 Ca 0.08 -1.01 0.04 0.00 -1.41 0.00 0.00 60.65 58.35 3d4r s ILE 6 Cb -0.12 -1.76 -0.01 0.00 0.13 0.00 0.00 42.46 40.70 3d4r s ILE 6 CO 0.01 0.56 -0.21 -0.31 -1.91 0.00 0.00 174.94 173.07 3d4r s TYR 7 N 0.34 2.56 -0.03 3.50 1.51 0.12 -1.06 117.35 124.29 3d4r s TYR 7 Ca -0.19 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 55.21 3d4r s TYR 7 Cb -0.18 -1.67 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 3d4r s TYR 7 CO 0.09 -0.21 -0.16 0.08 -1.11 0.00 0.00 175.55 174.24 3d4r s VAL 8 N -0.04 1.30 0.16 0.71 1.01 0.88 -1.42 120.40 122.99 3d4r s VAL 8 Ca -0.06 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 3d4r s VAL 8 Cb -0.15 -1.11 -0.11 0.00 0.00 0.00 0.00 36.38 35.02 3d4r s VAL 8 CO 0.05 0.37 1.78 -0.70 0.00 0.00 0.00 175.10 176.60 3d4r s GLU 9 N -0.10 4.14 0.00 2.72 2.12 -0.42 -0.88 118.70 126.27 3d4r s GLU 9 Ca 0.00 2.59 0.00 0.00 0.36 0.00 0.00 54.97 57.92 3d4r s GLU 9 Cb -0.09 -3.38 0.00 0.00 0.26 0.00 0.00 34.13 30.92 3d4r s GLU 9 CO 0.01 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.34 3d4r n GLY 10 N 4.12 1.60 2.64 -1.50 0.00 -0.98 -4.77 105.19 106.30 3d4r n GLY 10 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3d4r n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3d4r n GLU 11 N -2.00 3.55 -1.68 1.61 -0.58 -1.18 -4.94 120.64 115.42 3d4r n GLU 11 Ca 0.00 -2.93 -0.50 0.00 -0.42 0.00 0.00 57.16 53.30 3d4r n GLU 11 Cb 0.00 -2.97 -0.05 0.00 -0.57 0.00 0.00 31.44 27.85 3d4r n GLU 11 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3d4r n LEU 12 N 4.17 3.09 0.00 -4.62 7.94 -1.26 -4.64 117.00 121.68 3d4r n LEU 12 Ca 0.56 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 56.47 3d4r n LEU 12 Cb 0.32 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 42.96 3d4r n LEU 12 CO 0.83 -0.21 0.00 -0.46 -1.11 0.00 0.00 177.39 176.44 3d4r n ASN 13 N 5.83 0.00 -1.77 1.96 0.23 -1.26 -5.05 115.26 115.20 3d4r n ASN 13 Ca 0.23 -0.99 -0.16 0.00 -0.53 0.00 0.00 54.58 53.14 3d4r n ASN 13 Cb 0.25 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.14 3d4r n ASN 13 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3d4r n ASP 14 N -1.30 3.19 -4.17 0.53 5.68 -1.26 -4.98 116.55 114.23 3d4r n ASP 14 Ca 0.00 -3.69 -0.21 0.00 -0.50 0.00 0.00 54.79 50.39 3d4r n ASP 14 Cb 0.00 -0.75 0.12 0.00 -1.14 0.00 0.00 41.12 39.34 3d4r n ASP 14 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d4r n GLY 15 N -1.14 0.37 3.74 6.12 0.00 -1.26 -5.06 105.19 107.96 3d4r n GLY 15 Ca 0.48 -1.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 3d4r n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d4r s ASP 16 N -4.69 4.60 0.06 1.61 1.01 -1.26 -4.69 116.67 113.31 3d4r s ASP 16 Ca 0.60 2.33 0.06 0.00 0.71 0.00 0.00 52.55 56.24 3d4r s ASP 16 Cb -0.03 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 3d4r s ASP 16 CO 0.40 -1.99 -0.15 -0.13 0.21 0.00 0.00 175.17 173.50 3d4r s ARG 17 N -3.76 0.92 -0.04 8.23 0.52 -1.26 -0.24 118.95 123.33 3d4r s ARG 17 Ca 0.75 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 3d4r s ARG 17 Cb -0.29 -0.96 0.00 0.00 0.52 0.00 0.00 34.95 34.22 3d4r s ARG 17 CO 0.41 0.23 -0.11 0.54 0.02 0.00 0.00 175.30 176.38 3d4r s VAL 18 N -1.10 0.99 0.02 3.52 0.11 -0.57 -1.52 120.40 121.85 3d4r s VAL 18 Ca 0.01 -0.46 -0.08 0.00 -2.93 0.00 0.00 61.98 58.51 3d4r s VAL 18 Cb -0.09 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 3d4r s VAL 18 CO 0.02 0.30 0.32 0.00 -3.33 0.00 0.00 175.10 172.41 3d4r s ALA 19 N 0.23 3.80 -0.18 1.54 0.00 0.12 -1.02 121.76 126.25 3d4r s ALA 19 Ca -0.05 -0.48 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 3d4r s ALA 19 Cb -0.10 -2.16 0.01 0.00 0.00 0.00 0.00 23.12 20.87 3d4r s ALA 19 CO 0.01 0.61 -0.15 0.42 0.00 0.00 0.00 175.76 176.64 3d4r s ILE 20 N -1.30 2.51 0.43 0.00 -1.09 -0.31 -0.47 121.20 120.97 3d4r s ILE 20 Ca 0.28 -0.80 0.03 0.00 -2.23 0.00 0.00 60.65 57.94 3d4r s ILE 20 Cb -0.14 -2.08 -0.02 0.00 -1.58 0.00 0.00 42.46 38.65 3d4r s ILE 20 CO 0.16 0.51 0.10 -1.61 -1.23 0.00 0.00 174.94 172.87 3d4r s GLU 21 N 1.17 1.99 -1.49 2.79 2.02 -0.07 -1.37 118.70 123.74 3d4r s GLU 21 Ca 0.01 -2.23 -0.06 0.00 0.02 0.00 0.00 54.97 52.72 3d4r s GLU 21 Cb -0.14 -0.83 0.01 0.00 0.10 0.00 0.00 34.13 33.27 3d4r s GLU 21 CO -0.06 -0.45 0.12 1.63 0.02 0.00 0.00 175.26 176.52 3d4r n LYS 22 N -0.99 -0.89 -2.39 1.61 5.02 -1.26 -0.92 118.16 118.33 3d4r n LYS 22 Ca -0.09 0.10 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 3d4r n LYS 22 Cb 0.65 -3.43 -0.01 0.00 -0.02 0.00 0.00 35.03 32.22 3d4r n LYS 22 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3d4r n ASP 23 N -2.77 -4.99 0.00 4.39 5.68 -1.26 -1.50 116.55 116.09 3d4r n ASP 23 Ca -0.29 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.09 3d4r n ASP 23 Cb 0.68 -4.20 0.00 0.00 -1.14 0.00 0.00 41.12 36.46 3d4r n ASP 23 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d4r n GLY 24 N -0.90 0.48 0.32 6.12 0.00 -0.09 -4.98 105.19 106.14 3d4r n GLY 24 Ca -0.20 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.96 3d4r n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d4r n ASN 25 N 0.00 1.00 -3.71 1.61 3.02 -0.56 -4.75 115.26 111.87 3d4r n ASN 25 Ca 0.00 -1.30 -0.17 0.00 -0.03 0.00 0.00 54.58 53.08 3d4r n ASN 25 Cb 0.00 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.00 3d4r n ASN 25 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3d4r s ALA 26 N -2.03 0.08 -0.15 5.41 0.00 -1.02 -4.96 121.76 119.09 3d4r s ALA 26 Ca 0.40 0.33 0.02 0.00 0.00 0.00 0.00 51.96 52.70 3d4r s ALA 26 Cb 0.21 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.84 3d4r s ALA 26 CO 0.36 -0.34 -0.19 0.42 0.00 0.00 0.00 175.76 176.01 3d4r s ILE 27 N 1.73 1.86 -0.20 0.00 1.01 -1.26 -0.89 121.20 123.44 3d4r s ILE 27 Ca -0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3d4r s ILE 27 Cb -0.12 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 40.73 3d4r s ILE 27 CO -0.04 0.51 -0.02 -0.63 0.00 0.00 0.00 174.94 174.76 3d4r s ILE 28 N 1.10 1.08 -0.16 2.92 1.09 0.38 -4.96 121.20 122.64 3d4r s ILE 28 Ca -0.02 -0.84 -0.29 0.00 -1.10 0.00 0.00 60.65 58.40 3d4r s ILE 28 Cb -0.14 -1.40 -0.01 0.00 -1.06 0.00 0.00 42.46 39.85 3d4r s ILE 28 CO -0.06 -0.08 1.13 -0.36 -0.10 0.00 0.00 174.94 175.47 3d4r s PHE 29 N 1.61 3.18 0.31 3.97 0.08 -1.26 0.14 117.98 126.01 3d4r s PHE 29 Ca -0.03 1.29 -0.04 0.00 0.12 0.00 0.00 56.93 58.28 3d4r s PHE 29 Cb -0.17 -3.36 -0.05 0.00 -0.57 0.00 0.00 43.02 38.87 3d4r s PHE 29 CO -0.07 -0.98 0.57 -0.51 -0.10 0.00 0.00 175.22 174.13 3d4r s LEU 30 N 2.98 4.02 0.64 -0.37 1.43 -0.57 -4.97 118.68 121.83 3d4r s LEU 30 Ca 0.50 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 3d4r s LEU 30 Cb -0.19 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 3d4r s LEU 30 CO 0.13 -0.24 1.04 -1.61 0.23 0.00 0.00 176.35 175.90 3d4r s GLU 31 N -3.79 3.42 0.06 1.70 0.41 -1.26 -4.53 118.70 114.71 3d4r s GLU 31 Ca 0.43 0.77 -0.11 0.00 -0.41 0.00 0.00 54.97 55.66 3d4r s GLU 31 Cb -0.10 -2.06 -0.02 0.00 -1.78 0.00 0.00 34.13 30.16 3d4r s GLU 31 CO 0.32 -0.71 1.01 0.36 -0.49 0.00 0.00 175.26 175.76 3d4r n LYS 32 N -2.84 -0.16 -0.62 1.61 0.00 -1.26 -2.32 118.16 112.57 3d4r n LYS 32 Ca 0.06 1.00 0.08 0.00 -0.00 0.00 0.00 58.31 59.45 3d4r n LYS 32 Cb 0.54 -1.48 0.32 0.00 -0.00 0.00 0.00 35.03 34.41 3d4r n LYS 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3d4r n ASP 33 N -3.77 4.64 -4.67 -5.58 8.00 -1.26 -4.99 116.55 108.92 3d4r n ASP 33 Ca 0.01 -2.89 -0.42 0.00 0.71 0.00 0.00 54.79 52.20 3d4r n ASP 33 Cb 0.09 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 3d4r n ASP 33 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3d4r s GLU 34 N -2.63 4.17 -0.01 -1.24 2.12 -0.98 -4.94 118.70 115.19 3d4r s GLU 34 Ca 0.47 2.39 -0.30 0.00 0.36 0.00 0.00 54.97 57.89 3d4r s GLU 34 Cb 0.36 -3.90 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 3d4r s GLU 34 CO 0.13 -0.85 1.67 -2.00 -0.54 0.00 0.00 175.26 173.67 3d4r s GLU 35 N 3.68 4.19 -0.21 4.30 2.56 -1.26 -4.89 118.70 127.07 3d4r s GLU 35 Ca 0.79 2.25 -0.29 0.00 0.00 0.00 0.00 54.97 57.72 3d4r s GLU 35 Cb -0.39 -3.88 -0.03 0.00 2.00 0.00 0.00 34.13 31.83 3d4r s GLU 35 CO 0.35 -0.81 1.73 -0.47 -0.56 0.00 0.00 175.26 175.49 3d4r s TYR 36 N 3.62 1.90 -2.83 5.30 5.04 -1.26 -4.87 117.35 124.26 3d4r s TYR 36 Ca 0.74 0.47 0.25 0.00 -2.44 0.00 0.00 57.07 56.08 3d4r s TYR 36 Cb -0.36 -4.02 0.39 0.00 0.35 0.00 0.00 41.96 38.32 3d4r s TYR 36 CO 0.31 -3.28 1.37 -1.13 -1.34 0.00 0.00 175.55 171.48 3d4r n SER 37 N 8.92 2.74 -3.94 4.32 3.41 -1.26 -4.99 113.62 122.81 3d4r n SER 37 Ca 0.20 -1.90 -0.16 0.00 -0.26 0.00 0.00 58.87 56.75 3d4r n SER 37 Cb 0.45 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.45 3d4r n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d4r n GLY 38 N 1.33 1.02 1.07 5.00 0.00 -1.26 -5.05 105.19 107.29 3d4r n GLY 38 Ca 0.16 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 44.20 3d4r n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3d4r n ASN 39 N -2.82 3.81 -0.71 1.61 6.94 -1.26 -5.02 115.26 117.81 3d4r n ASN 39 Ca 0.12 -2.34 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 3d4r n ASN 39 Cb 0.43 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 3d4r n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3d4r n GLY 40 N 0.63 2.37 3.84 4.83 0.00 -1.26 -5.00 105.19 110.60 3d4r n GLY 40 Ca 0.19 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 3d4r n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4r s LYS 41 N 1.10 4.03 -0.18 1.61 1.02 -0.47 -4.89 119.74 121.96 3d4r s LYS 41 Ca 0.00 0.59 -0.06 0.00 0.02 0.00 0.00 55.97 56.52 3d4r s LYS 41 Cb 0.00 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.49 3d4r s LYS 41 CO 0.00 0.37 0.02 -0.51 -0.92 0.00 0.00 175.35 174.32 3d4r s LEU 42 N -2.28 3.56 -0.16 3.17 1.43 -1.26 -1.16 118.68 121.98 3d4r s LEU 42 Ca 0.44 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.49 3d4r s LEU 42 Cb -0.14 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3d4r s LEU 42 CO 0.20 0.15 -0.08 -0.76 0.23 0.00 0.00 176.35 176.09 3d4r s LEU 43 N 0.48 2.97 -0.04 1.79 1.02 -0.19 -2.32 118.68 122.38 3d4r s LEU 43 Ca 0.01 -0.26 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 3d4r s LEU 43 Cb -0.13 -1.70 -0.04 0.00 0.02 0.00 0.00 46.19 44.34 3d4r s LEU 43 CO 0.02 0.14 0.02 -0.31 0.02 0.00 0.00 176.35 176.23 3d4r s TYR 44 N 0.55 3.16 0.20 0.29 1.51 -0.06 -1.51 117.35 121.49 3d4r s TYR 44 Ca -0.05 0.16 -0.30 0.00 -1.01 0.00 0.00 57.07 55.87 3d4r s TYR 44 Cb -0.15 -1.74 -0.09 0.00 -0.11 0.00 0.00 41.96 39.88 3d4r s TYR 44 CO 0.03 0.49 1.27 -1.14 -1.11 0.00 0.00 175.55 175.09 3d4r s GLN 45 N -1.28 4.42 0.37 -0.62 0.74 0.67 -0.08 119.66 123.88 3d4r s GLN 45 Ca 0.17 2.00 0.06 0.00 0.05 0.00 0.00 55.36 57.64 3d4r s GLN 45 Cb -0.12 -3.21 -0.07 0.00 1.10 0.00 0.00 33.01 30.72 3d4r s GLN 45 CO 0.07 -0.19 0.00 0.14 -0.55 0.00 0.00 175.29 174.77 3d4r s VAL 46 N 0.00 1.80 0.31 1.34 -7.23 -0.22 -4.69 120.40 111.71 3d4r s VAL 46 Ca 0.55 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 3d4r s VAL 46 Cb -0.35 -2.86 -0.10 0.00 0.56 0.00 0.00 36.38 33.63 3d4r s VAL 46 CO 0.38 -0.05 1.28 -0.63 -0.31 0.00 0.00 175.10 175.77 3d4r s ILE 47 N -2.87 2.88 -1.08 -0.62 1.01 -1.26 -4.44 121.20 114.82 3d4r s ILE 47 Ca 0.35 0.87 -0.20 0.00 0.00 0.00 0.00 60.65 61.67 3d4r s ILE 47 Cb 0.08 -3.55 0.09 0.00 0.01 0.00 0.00 42.46 39.09 3d4r s ILE 47 CO 0.17 0.20 1.44 -0.47 0.00 0.00 0.00 174.94 176.27 3d4r s TYR 48 N -0.99 2.84 0.00 3.97 5.04 -1.26 -4.71 117.35 122.24 3d4r s TYR 48 Ca 0.49 -1.30 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 3d4r s TYR 48 Cb -0.38 -4.57 0.00 0.00 0.35 0.00 0.00 41.96 37.36 3d4r s TYR 48 CO 0.49 -1.74 0.00 -0.40 -1.34 0.00 0.00 175.55 172.56 3d4r n ASP 49 N 7.85 0.00 -3.76 4.32 5.68 -1.26 -5.06 116.55 124.32 3d4r n ASP 49 Ca 0.35 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.51 3d4r n ASP 49 Cb 0.48 -0.06 -0.10 0.00 -1.14 0.00 0.00 41.12 40.31 3d4r n ASP 49 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3d4r s ASP 50 N -4.53 -0.30 0.12 -1.12 2.15 -1.26 -4.71 116.67 107.02 3d4r s ASP 50 Ca 0.00 0.50 0.25 0.00 0.43 0.00 0.00 52.55 53.72 3d4r s ASP 50 Cb 0.00 0.57 0.45 0.00 -0.30 0.00 0.00 42.92 43.64 3d4r s ASP 50 CO 0.00 -0.21 1.41 -0.11 -0.17 0.00 0.00 175.17 176.09 3d4r n LEU 51 N 2.45 0.68 0.14 -1.34 7.94 -1.26 -4.09 117.00 121.51 3d4r n LEU 51 Ca -0.15 0.26 0.06 0.00 -1.11 0.00 0.00 56.01 55.07 3d4r n LEU 51 Cb 0.57 -0.22 0.52 0.00 0.53 0.00 0.00 43.42 44.83 3d4r n LEU 51 CO 0.17 -0.05 1.09 0.00 -1.11 0.00 0.00 177.39 177.49 3d4r h ALA 52 N 2.57 1.82 0.00 1.96 0.00 -1.97 -0.53 119.26 123.11 3d4r h ALA 52 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3d4r h ALA 52 Cb 0.71 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3d4r h ALA 52 CO 0.00 0.15 -0.01 1.57 0.00 0.00 0.00 179.25 180.96 3d4r h LYS 53 N 0.26 0.00 -2.01 0.00 2.10 -2.02 -3.43 116.57 111.47 3d4r h LYS 53 Ca 0.07 0.00 -0.75 0.00 -2.00 0.00 0.00 60.65 57.96 3d4r h LYS 53 Cb 0.01 0.00 -0.29 0.00 -0.90 0.00 0.00 32.23 31.06 3d4r h LYS 53 CO -0.01 0.01 0.83 0.66 -2.00 0.00 0.00 179.45 178.94 3d4r n TYR 54 N -3.16 3.02 -3.20 0.07 4.01 -0.21 -5.03 117.16 112.66 3d4r n TYR 54 Ca -0.02 -2.50 0.01 0.00 -0.16 0.00 0.00 57.90 55.23 3d4r n TYR 54 Cb 0.18 -1.06 -0.02 0.00 -0.31 0.00 0.00 39.34 38.12 3d4r n TYR 54 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3d4r s SER 56 N -1.46 -1.02 1.49 7.72 0.15 0.92 -0.76 113.70 120.74 3d4r s SER 56 Ca 0.49 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.71 3d4r s SER 56 Cb 0.38 1.89 0.00 0.00 -1.71 0.00 0.00 66.02 66.58 3d4r s SER 56 CO -0.33 -0.28 0.00 0.18 1.20 0.00 0.00 173.24 174.01 3d4r n LEU 57 N 5.41 0.00 -1.47 3.45 4.77 -1.26 -1.12 117.00 126.79 3d4r n LEU 57 Ca -0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3d4r n LEU 57 Cb 0.51 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.93 3d4r n LEU 57 CO 0.02 0.00 0.78 -0.90 -1.33 0.00 0.00 177.39 175.96 3d4r n ASP 58 N 8.23 4.33 -4.18 -1.43 5.75 -1.26 -4.95 116.55 123.05 3d4r n ASP 58 Ca 0.00 -2.32 -0.29 0.00 -0.01 0.00 0.00 54.79 52.17 3d4r n ASP 58 Cb 0.00 -0.54 -0.17 0.00 -1.03 0.00 0.00 41.12 39.38 3d4r n ASP 58 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3d4r s THR 59 N -1.66 1.74 0.19 2.12 2.01 -0.27 -0.87 115.64 118.89 3d4r s THR 59 Ca 0.48 -0.86 -0.32 0.00 0.31 0.00 0.00 61.69 61.30 3d4r s THR 59 Cb 0.29 -1.50 -0.11 0.00 0.01 0.00 0.00 72.50 71.19 3d4r s THR 59 CO 0.25 0.49 1.72 -0.76 -0.69 0.00 0.00 174.62 175.63 3d4r s LEU 60 N 0.16 4.37 0.00 4.42 1.43 -0.47 -0.05 118.68 128.54 3d4r s LEU 60 Ca -0.10 2.81 0.24 0.00 -1.03 0.00 0.00 54.13 56.05 3d4r s LEU 60 Cb -0.15 -3.59 0.19 0.00 0.03 0.00 0.00 46.19 42.67 3d4r s LEU 60 CO 0.05 -0.96 1.21 2.29 0.23 0.00 0.00 176.35 179.17 3d4r n LYS 61 N 4.25 0.90 -4.10 1.70 2.85 0.06 -0.39 118.16 123.44 3d4r n LYS 61 Ca 0.16 -0.69 -0.15 0.00 -1.05 0.00 0.00 58.31 56.58 3d4r n LYS 61 Cb 0.36 -1.49 -0.12 0.00 -0.65 0.00 0.00 35.03 33.14 3d4r n LYS 61 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3d4r s LYS 62 N -2.57 0.62 0.47 -1.58 -0.14 -1.24 -4.86 119.74 110.44 3d4r s LYS 62 Ca 0.18 -0.81 -0.23 0.00 -1.36 0.00 0.00 55.97 53.75 3d4r s LYS 62 Cb 0.18 -0.46 -0.07 0.00 -1.68 0.00 0.00 37.83 35.80 3d4r s LYS 62 CO 0.60 0.09 1.24 -0.51 -0.76 0.00 0.00 175.35 176.02 3d4r s ASP 63 N -1.61 5.96 -0.01 2.83 1.11 -1.26 -3.89 116.67 119.79 3d4r s ASP 63 Ca -0.07 2.50 0.01 0.00 0.18 0.00 0.00 52.55 55.17 3d4r s ASP 63 Cb -0.10 -2.62 0.01 0.00 1.07 0.00 0.00 42.92 41.28 3d4r s ASP 63 CO 0.01 -1.08 -0.03 -0.69 1.18 0.00 0.00 175.17 174.56 3d4r s VAL 64 N -1.42 0.30 -0.08 -1.27 1.01 0.42 -1.30 120.40 118.05 3d4r s VAL 64 Ca 0.64 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.53 3d4r s VAL 64 Cb -0.34 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 35.77 3d4r s VAL 64 CO 0.41 0.11 -0.14 -0.22 0.00 0.00 0.00 175.10 175.26 3d4r s LEU 65 N 0.23 1.67 -0.18 3.92 0.20 -0.51 -0.28 118.68 123.73 3d4r s LEU 65 Ca -0.02 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.45 3d4r s LEU 65 Cb -0.05 -0.95 0.02 0.00 -0.43 0.00 0.00 46.19 44.78 3d4r s LEU 65 CO -0.00 0.03 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.26 3d4r s ILE 66 N 0.80 2.03 -0.08 6.68 1.01 -0.20 -0.70 121.20 130.73 3d4r s ILE 66 Ca -0.11 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.44 3d4r s ILE 66 Cb -0.16 -1.84 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 3d4r s ILE 66 CO 0.02 0.53 0.43 -1.58 0.00 0.00 0.00 174.94 174.34 3d4r s GLN 67 N 1.30 4.20 0.65 2.79 0.74 0.40 -1.28 119.66 128.46 3d4r s GLN 67 Ca 0.05 0.39 -0.15 0.00 0.05 0.00 0.00 55.36 55.71 3d4r s GLN 67 Cb -0.13 -3.37 -0.01 0.00 1.10 0.00 0.00 33.01 30.61 3d4r s GLN 67 CO -0.13 0.34 1.09 0.71 -0.55 0.00 0.00 175.29 176.75 3d4r s TYR 68 N 0.06 2.76 0.64 1.67 4.12 0.12 -1.78 117.35 124.94 3d4r s TYR 68 Ca 0.24 1.53 0.32 0.00 0.02 0.00 0.00 57.07 59.18 3d4r s TYR 68 Cb -0.15 -3.09 1.76 0.00 -1.52 0.00 0.00 41.96 38.96 3d4r s TYR 68 CO 0.10 -1.50 2.05 -1.35 0.02 0.00 0.00 175.55 174.87 3d4r h PRO 69 N 0.01 0.00 0.00 -1.71 0.11 -1.89 0.12 132.00 128.64 3d4r h PRO 69 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3d4r h PRO 69 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d4r h PRO 69 CO 0.55 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3d4r n ASP 70 N -3.26 0.24 0.00 -2.05 5.68 -1.26 -4.91 116.55 110.99 3d4r n ASP 70 Ca 0.00 0.56 0.00 0.00 -0.50 0.00 0.00 54.79 54.85 3d4r n ASP 70 Cb 0.35 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 3d4r n ASP 70 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3d4r n LYS 71 N -1.77 -0.67 0.00 0.11 5.02 0.03 -4.77 118.16 116.11 3d4r n LYS 71 Ca 0.03 0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 3d4r n LYS 71 Cb 0.19 -3.73 0.00 0.00 -0.02 0.00 0.00 35.03 31.47 3d4r n LYS 71 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3d4r n HIS 72 N -2.49 0.00 -3.71 2.13 8.25 -1.26 -4.96 115.22 113.19 3d4r n HIS 72 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3d4r n HIS 72 Cb 0.17 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3d4r n HIS 72 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3d4r s THR 73 N -0.88 5.32 0.05 1.59 2.01 -1.26 -5.00 115.64 117.47 3d4r s THR 73 Ca 0.00 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.46 3d4r s THR 73 Cb 0.00 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 3d4r s THR 73 CO 0.00 0.56 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.97 3d4r s LEU 74 N -0.76 2.37 -0.07 4.42 0.05 -1.26 0.14 118.68 123.57 3d4r s LEU 74 Ca 0.17 -0.75 0.03 0.00 0.05 0.00 0.00 54.13 53.64 3d4r s LEU 74 Cb -0.14 0.05 0.01 0.00 -2.05 0.00 0.00 46.19 44.06 3d4r s LEU 74 CO 0.07 -0.40 -0.17 -0.89 -0.55 0.00 0.00 176.35 174.41 3d4r s THR 75 N -2.56 1.49 -0.24 5.48 2.01 -0.41 -4.98 115.64 116.43 3d4r s THR 75 Ca -0.03 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.24 3d4r s THR 75 Cb -0.02 -1.31 0.01 0.00 0.01 0.00 0.00 72.50 71.19 3d4r s THR 75 CO -0.04 0.43 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.81 3d4r s TYR 76 N 0.44 3.01 -0.29 4.92 5.04 -1.26 -1.03 117.35 128.18 3d4r s TYR 76 Ca -0.14 -1.21 0.00 0.00 -2.44 0.00 0.00 57.07 53.28 3d4r s TYR 76 Cb -0.16 -2.10 0.06 0.00 0.35 0.00 0.00 41.96 40.12 3d4r s TYR 76 CO 0.05 -0.63 -0.03 -0.51 -1.34 0.00 0.00 175.55 173.09 3d4r s LEU 77 N 1.41 3.85 0.67 6.97 1.43 0.62 -5.00 118.68 128.62 3d4r s LEU 77 Ca 0.03 -1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 51.57 3d4r s LEU 77 Cb -0.15 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3d4r s LEU 77 CO -0.04 -0.25 1.14 -0.54 0.23 0.00 0.00 176.35 176.89 3d4r s LYS 78 N 1.17 2.67 0.35 1.70 1.02 -1.26 -0.44 119.74 124.95 3d4r s LYS 78 Ca -0.05 1.50 -0.27 0.00 0.02 0.00 0.00 55.97 57.18 3d4r s LYS 78 Cb -0.20 -1.92 -0.12 0.00 -0.52 0.00 0.00 37.83 35.06 3d4r s LYS 78 CO -0.03 -1.37 1.05 0.00 -0.92 0.00 0.00 175.35 174.08 3d4r n ALA 79 N -2.41 0.18 0.00 5.17 0.00 -1.25 -1.69 120.51 120.51 3d4r n ALA 79 Ca 0.11 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.87 3d4r n ALA 79 Cb 0.51 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3d4r n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d4r n GLY 80 N 1.13 0.65 3.69 0.00 0.00 0.48 -4.97 105.19 106.17 3d4r n GLY 80 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3d4r n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4r s THR 81 N -2.18 3.80 0.01 2.61 2.01 -0.68 -4.76 115.64 116.44 3d4r s THR 81 Ca 0.00 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.86 3d4r s THR 81 Cb 0.00 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3d4r s THR 81 CO 0.00 -0.01 1.02 -0.75 -0.69 0.00 0.00 174.62 174.19 3d4r s LYS 82 N 2.47 4.53 0.07 4.92 2.20 -1.26 -1.37 119.74 131.30 3d4r s LYS 82 Ca 0.63 1.49 0.08 0.00 -0.36 0.00 0.00 55.97 57.81 3d4r s LYS 82 Cb -0.30 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 3d4r s LYS 82 CO 0.26 -0.10 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.41 3d4r s LEU 83 N 1.05 2.21 -0.34 5.43 1.43 -0.05 -4.70 118.68 123.71 3d4r s LEU 83 Ca 0.53 -0.60 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 3d4r s LEU 83 Cb -0.23 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.92 3d4r s LEU 83 CO 0.28 0.16 0.26 -0.63 0.23 0.00 0.00 176.35 176.65 3d4r s ILE 84 N -0.91 5.27 -0.18 -0.59 -1.09 -1.26 -4.81 121.20 117.63 3d4r s ILE 84 Ca 0.09 -0.20 -0.16 0.00 -2.23 0.00 0.00 60.65 58.15 3d4r s ILE 84 Cb -0.09 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 3d4r s ILE 84 CO 0.03 -0.03 0.40 -0.55 -1.23 0.00 0.00 174.94 173.55 3d4r s SER 85 N 1.72 6.48 -0.18 3.58 0.15 -1.26 -4.19 113.70 119.99 3d4r s SER 85 Ca 0.07 0.56 -0.01 0.00 0.70 0.00 0.00 55.95 57.27 3d4r s SER 85 Cb -0.17 -2.23 0.05 0.00 -1.71 0.00 0.00 66.02 61.95 3d4r s SER 85 CO 0.11 -0.04 -0.04 -0.69 1.20 0.00 0.00 173.24 173.78 3d4r s VAL 86 N 1.09 1.09 0.43 4.45 1.01 0.63 -4.98 120.40 124.11 3d4r s VAL 86 Ca 0.20 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 3d4r s VAL 86 Cb -0.14 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3d4r s VAL 86 CO 0.08 0.04 0.76 -2.16 0.00 0.00 0.00 175.10 173.81 3d4r s PRO 87 N 1.63 3.68 -0.31 2.72 0.04 -1.26 -1.07 135.00 140.42 3d4r s PRO 87 Ca -0.01 0.34 -0.00 0.00 0.04 0.00 0.00 61.00 61.37 3d4r s PRO 87 Cb -0.16 -2.40 0.13 0.00 0.04 0.00 0.00 34.50 32.11 3d4r s PRO 87 CO -0.07 -0.09 0.27 0.00 0.04 0.00 0.00 177.00 177.15 3d4r s ALA 88 N -2.49 -0.07 0.04 8.56 0.00 -0.62 -4.96 121.76 122.20 3d4r s ALA 88 Ca 0.49 -0.80 0.09 0.00 0.00 0.00 0.00 51.96 51.74 3d4r s ALA 88 Cb -0.10 -1.75 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 3d4r s ALA 88 CO 0.36 -1.84 -0.26 -2.00 0.00 0.00 0.00 175.76 172.02 3d4r s GLU 89 N 1.95 1.83 0.00 0.00 -6.30 -1.26 -1.46 118.70 113.47 3d4r s GLU 89 Ca 0.12 -1.09 0.00 0.00 -2.50 0.00 0.00 54.97 51.50 3d4r s GLU 89 Cb -0.16 -1.98 0.00 0.00 0.00 0.00 0.00 34.13 31.99 3d4r s GLU 89 CO -0.23 0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.97 3d4r n GLY 90 N 1.86 -1.38 0.12 -1.50 0.00 -0.88 -5.02 105.19 98.39 3d4r n GLY 90 Ca -0.17 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 3d4r n GLY 90 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3d4r h TYR 91 N 0.00 0.32 -3.78 1.61 3.20 -1.84 -2.76 116.97 113.72 3d4r h TYR 91 Ca 0.00 -0.02 -0.48 0.00 3.14 0.00 0.00 58.73 61.38 3d4r h TYR 91 Cb 0.00 -0.10 -0.31 0.00 1.54 0.00 0.00 36.73 37.86 3d4r h TYR 91 CO 0.00 0.32 -0.80 0.15 -1.64 0.00 0.00 178.16 176.19 3d4r s LYS 92 N -5.70 1.28 -0.09 1.82 3.01 -0.23 -4.05 119.74 115.78 3d4r s LYS 92 Ca -0.13 -0.40 0.01 0.00 -1.01 0.00 0.00 55.97 54.44 3d4r s LYS 92 Cb 0.08 -1.14 0.02 0.00 -1.01 0.00 0.00 37.83 35.77 3d4r s LYS 92 CO 0.71 0.13 -0.12 0.08 0.51 0.00 0.00 175.35 176.66 3d4r s VAL 93 N 0.23 1.25 -0.43 3.17 1.01 -1.26 -1.07 120.40 123.29 3d4r s VAL 93 Ca -0.05 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.47 3d4r s VAL 93 Cb -0.10 -1.17 0.12 0.00 0.00 0.00 0.00 36.38 35.23 3d4r s VAL 93 CO 0.01 0.39 0.17 -0.31 0.00 0.00 0.00 175.10 175.36 3d4r s TYR 94 N 1.04 3.27 0.41 5.22 2.02 0.45 -5.00 117.35 124.76 3d4r s TYR 94 Ca -0.07 -3.00 -0.25 0.00 -0.37 0.00 0.00 57.07 53.38 3d4r s TYR 94 Cb -0.15 -2.75 -0.08 0.00 -0.40 0.00 0.00 41.96 38.58 3d4r s TYR 94 CO -0.01 -0.83 1.17 -2.14 -1.57 0.00 0.00 175.55 172.17 3d4r s PRO 95 N 0.31 4.02 -0.56 -1.71 0.02 -1.26 -1.83 135.00 133.99 3d4r s PRO 95 Ca 0.14 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.02 3d4r s PRO 95 Cb -0.23 -2.65 0.42 0.00 0.02 0.00 0.00 34.50 32.06 3d4r s PRO 95 CO -0.04 -0.35 1.55 0.44 -0.33 0.00 0.00 177.00 178.28 3d4r n ILE 96 N 0.02 2.98 -0.44 2.83 -5.35 0.01 -4.94 119.36 114.47 3d4r n ILE 96 Ca 0.05 -4.21 0.00 0.00 -0.27 0.00 0.00 62.75 58.32 3d4r n ILE 96 Cb 0.47 -1.21 0.00 0.00 -1.74 0.00 0.00 39.64 37.15 3d4r n ILE 96 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3d4r n ASP 98 N -0.64 0.00 -4.62 7.28 8.00 -1.26 -5.07 116.55 120.25 3d4r n ASP 98 Ca 0.49 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.53 3d4r n ASP 98 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.69 3d4r n ASP 98 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3d4r n PHE 99 N 0.02 1.64 -0.98 1.24 7.35 -1.26 -2.28 117.46 123.19 3d4r n PHE 99 Ca 0.00 0.60 0.00 0.00 -0.76 0.00 0.00 57.45 57.29 3d4r n PHE 99 Cb 0.00 -2.34 0.00 0.00 0.35 0.00 0.00 39.48 37.49 3d4r n PHE 99 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3d4r n GLY 100 N 1.75 0.48 3.81 7.13 0.00 0.13 -5.01 105.19 113.47 3d4r n GLY 100 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3d4r n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d4r s PHE 101 N -2.12 3.49 0.15 1.61 0.40 -0.96 -4.79 117.98 115.75 3d4r s PHE 101 Ca 0.00 1.62 -0.25 0.00 -0.60 0.00 0.00 56.93 57.70 3d4r s PHE 101 Cb 0.00 -2.83 -0.08 0.00 0.51 0.00 0.00 43.02 40.63 3d4r s PHE 101 CO 0.00 0.07 0.75 -0.98 0.70 0.00 0.00 175.22 175.76 3d4r s ARG 102 N -2.64 4.52 0.02 0.44 1.70 -1.26 -1.15 118.95 120.57 3d4r s ARG 102 Ca 0.55 1.10 -0.01 0.00 -0.47 0.00 0.00 55.73 56.90 3d4r s ARG 102 Cb -0.13 -3.27 -0.02 0.00 -0.57 0.00 0.00 34.95 30.97 3d4r s ARG 102 CO 0.18 0.56 -0.01 0.14 -1.08 0.00 0.00 175.30 175.09 3d4r s VAL 103 N -1.07 0.10 0.11 4.99 -7.23 -0.36 -4.97 120.40 111.98 3d4r s VAL 103 Ca 0.35 -0.82 0.09 0.00 -1.81 0.00 0.00 61.98 59.80 3d4r s VAL 103 Cb -0.23 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 3d4r s VAL 103 CO 0.25 -0.45 -0.20 -0.76 -0.31 0.00 0.00 175.10 173.63 3d4r s LEU 104 N -1.33 2.59 0.10 1.32 1.43 -1.26 -0.77 118.68 120.75 3d4r s LEU 104 Ca -0.15 -0.60 -0.36 0.00 -1.03 0.00 0.00 54.13 52.00 3d4r s LEU 104 Cb -0.09 -1.46 -0.16 0.00 0.03 0.00 0.00 46.19 44.52 3d4r s LEU 104 CO -0.01 0.19 1.43 1.17 0.23 0.00 0.00 176.35 179.35 3d4r n LYS 105 N 0.89 1.45 0.00 1.70 4.81 -1.04 -1.20 118.16 124.77 3d4r n LYS 105 Ca -0.16 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3d4r n LYS 105 Cb 0.53 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.37 3d4r n LYS 105 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3d4r n GLY 106 N 2.84 2.91 3.76 3.14 0.00 0.31 -4.95 105.19 113.21 3d4r n GLY 106 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3d4r n GLY 106 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3d4r n TYR 107 N -2.00 2.69 -2.20 1.61 4.02 -0.34 -4.51 117.16 116.42 3d4r n TYR 107 Ca 0.00 0.45 -0.42 0.00 -0.01 0.00 0.00 57.90 57.91 3d4r n TYR 107 Cb 0.00 -2.46 -0.03 0.00 -0.02 0.00 0.00 39.34 36.83 3d4r n TYR 107 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3d4r s ARG 108 N -2.35 4.22 -0.06 -0.72 3.52 -1.26 0.12 118.95 122.41 3d4r s ARG 108 Ca 0.60 1.95 -0.08 0.00 -0.13 0.00 0.00 55.73 58.07 3d4r s ARG 108 Cb -0.46 -3.84 -0.29 0.00 -1.56 0.00 0.00 34.95 28.80 3d4r s ARG 108 CO 0.59 -0.75 0.60 -0.07 -0.81 0.00 0.00 175.30 174.85 3d4r h LEU 109 N 9.76 0.52 -7.16 -0.88 3.38 -0.52 -3.45 115.31 116.96 3d4r h LEU 109 Ca -0.34 -0.87 -0.07 0.00 0.09 0.00 0.00 57.88 56.69 3d4r h LEU 109 Cb 1.15 -0.17 -0.17 0.00 0.09 0.00 0.00 40.66 41.56 3d4r h LEU 109 CO 0.95 1.75 0.06 0.00 0.09 0.00 0.00 178.44 181.29 3d4r s ALA 110 N -2.58 -1.42 -0.14 1.53 0.00 -1.02 -0.81 121.76 117.32 3d4r s ALA 110 Ca -0.17 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 52.53 3d4r s ALA 110 Cb 0.06 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3d4r s ALA 110 CO 0.83 -0.44 0.06 0.99 0.00 0.00 0.00 175.76 177.19 3d4r s THR 111 N -1.95 4.78 -0.07 0.00 2.01 -0.76 -1.77 115.64 117.88 3d4r s THR 111 Ca -0.08 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 61.89 3d4r s THR 111 Cb -0.01 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.38 3d4r s THR 111 CO 0.02 0.53 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.59 3d4r s LEU 112 N -0.26 2.77 -0.04 4.42 1.43 0.13 -0.41 118.68 126.72 3d4r s LEU 112 Ca 0.08 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.01 3d4r s LEU 112 Cb -0.12 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 3d4r s LEU 112 CO 0.02 0.30 -0.17 -0.70 0.23 0.00 0.00 176.35 176.03 3d4r s GLU 113 N -0.48 1.74 0.68 1.70 2.12 -0.23 -0.67 118.70 123.57 3d4r s GLU 113 Ca 0.06 -0.60 -0.03 0.00 0.36 0.00 0.00 54.97 54.76 3d4r s GLU 113 Cb -0.12 -1.53 0.08 0.00 0.26 0.00 0.00 34.13 32.83 3d4r s GLU 113 CO 0.02 0.25 0.96 -1.54 -0.54 0.00 0.00 175.26 174.41 3d4r s SER 114 N 0.01 4.67 0.21 -1.70 1.04 -0.82 -1.06 113.70 116.05 3d4r s SER 114 Ca -0.03 0.03 -0.08 0.00 0.48 0.00 0.00 55.95 56.34 3d4r s SER 114 Cb -0.11 -0.61 0.29 0.00 0.10 0.00 0.00 66.02 65.69 3d4r s SER 114 CO 0.02 -1.63 1.77 0.07 0.98 0.00 0.00 173.24 174.45 3d4r h LYS 115 N -0.45 0.52 0.00 4.02 -0.00 -1.95 -0.42 116.57 118.28 3d4r h LYS 115 Ca -0.41 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.65 60.19 3d4r h LYS 115 Cb 1.29 -0.12 -0.00 0.00 -0.00 0.00 0.00 32.23 33.40 3d4r h LYS 115 CO 0.49 0.34 -0.11 1.57 -0.00 0.00 0.00 179.45 181.75 3d4r h LYS 116 N 0.53 0.00 0.00 0.07 5.09 -2.06 -3.47 116.57 116.74 3d4r h LYS 116 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.06 3d4r h LYS 116 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.67 3d4r h LYS 116 CO -0.27 0.11 0.00 0.41 -2.09 0.00 0.00 179.45 177.61 3d4r n GLY 117 N -0.32 0.94 3.76 0.07 0.00 -0.17 -5.09 105.19 104.38 3d4r n GLY 117 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3d4r n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d4r s ASP 118 N -2.10 7.24 -0.12 1.61 1.01 -1.26 -4.70 116.67 118.34 3d4r s ASP 118 Ca 0.00 2.29 -0.06 0.00 0.71 0.00 0.00 52.55 55.49 3d4r s ASP 118 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3d4r s ASP 118 CO 0.00 -0.17 0.10 -0.76 0.21 0.00 0.00 175.17 174.55 3d4r s LEU 119 N -1.42 4.13 0.19 1.23 1.43 -1.26 -1.95 118.68 121.03 3d4r s LEU 119 Ca 0.45 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 3d4r s LEU 119 Cb -0.32 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 3d4r s LEU 119 CO 0.42 0.37 0.03 -0.13 0.23 0.00 0.00 176.35 177.26 3d4r s ARG 120 N -0.81 1.19 0.03 1.70 0.52 0.16 -4.98 118.95 116.76 3d4r s ARG 120 Ca 0.13 -1.59 0.02 0.00 -0.52 0.00 0.00 55.73 53.77 3d4r s ARG 120 Cb -0.12 -0.26 -0.02 0.00 0.52 0.00 0.00 34.95 35.07 3d4r s ARG 120 CO 0.03 -0.17 -0.08 0.71 0.02 0.00 0.00 175.30 175.81 3d4r s TYR 121 N -3.69 0.66 -0.22 -0.53 2.02 -1.26 0.22 117.35 114.55 3d4r s TYR 121 Ca 0.28 -0.36 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3d4r s TYR 121 Cb 0.06 -0.40 0.01 0.00 -0.40 0.00 0.00 41.96 41.23 3d4r s TYR 121 CO 0.07 -0.05 -0.08 0.08 -1.57 0.00 0.00 175.55 174.00 3d4r s VAL 122 N -0.95 2.96 0.19 0.71 1.01 -0.73 -4.96 120.40 118.64 3d4r s VAL 122 Ca -0.05 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3d4r s VAL 122 Cb -0.07 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3d4r s VAL 122 CO 0.00 0.38 0.17 0.20 0.00 0.00 0.00 175.10 175.86 3d4r s ASN 123 N 1.40 5.60 0.12 3.32 0.01 -1.26 0.25 114.94 124.38 3d4r s ASN 123 Ca 0.04 -0.14 -0.30 0.00 -0.71 0.00 0.00 52.86 51.75 3d4r s ASN 123 Cb -0.15 -1.47 -0.06 0.00 0.41 0.00 0.00 41.25 39.98 3d4r s ASN 123 CO -0.06 0.03 1.07 -0.55 -1.51 0.00 0.00 177.10 176.09 3d4r s SER 124 N -3.38 7.30 0.02 -1.22 0.15 0.12 -4.80 113.70 111.88 3d4r s SER 124 Ca 0.32 1.97 0.28 0.00 0.70 0.00 0.00 55.95 59.22 3d4r s SER 124 Cb -0.09 -2.59 1.14 0.00 -1.71 0.00 0.00 66.02 62.76 3d4r s SER 124 CO 0.24 -0.23 1.87 -0.81 1.20 0.00 0.00 173.24 175.51 3d4r n PRO 125 N 2.89 0.02 -4.17 5.44 -0.04 -1.26 -0.53 135.00 137.36 3d4r n PRO 125 Ca 0.04 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.41 3d4r n PRO 125 Cb 0.47 -1.52 -0.10 0.00 -0.04 0.00 0.00 33.50 32.31 3d4r n PRO 125 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3d4r s VAL 126 N -3.01 0.24 -0.04 0.52 -7.23 -1.26 -4.84 120.40 104.78 3d4r s VAL 126 Ca 0.13 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.28 3d4r s VAL 126 Cb 0.18 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3d4r s VAL 126 CO 0.55 -0.49 0.28 -0.44 -0.31 0.00 0.00 175.10 174.69 3d4r s SER 127 N -3.07 6.58 0.00 4.85 0.01 -1.26 -2.50 113.70 118.31 3d4r s SER 127 Ca 0.23 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.18 3d4r s SER 127 Cb 0.07 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 64.15 3d4r s SER 127 CO 0.02 0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.61 3d4r n GLY 128 N 1.67 -0.50 3.04 3.44 0.00 0.05 -1.14 105.19 111.76 3d4r n GLY 128 Ca -0.15 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.09 3d4r n GLY 128 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d4r s THR 129 N -4.00 0.83 -0.36 2.61 2.01 -0.01 -1.22 115.64 115.49 3d4r s THR 129 Ca 0.00 -0.43 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 3d4r s THR 129 Cb 0.00 -0.70 0.01 0.00 0.01 0.00 0.00 72.50 71.82 3d4r s THR 129 CO 0.00 0.24 1.22 -0.69 -0.69 0.00 0.00 174.62 174.70 3d4r s VAL 130 N -0.13 4.21 -1.80 3.82 1.01 -0.30 -0.61 120.40 126.60 3d4r s VAL 130 Ca 0.02 1.33 0.18 0.00 0.00 0.00 0.00 61.98 63.51 3d4r s VAL 130 Cb -0.05 -4.34 0.03 0.00 0.00 0.00 0.00 36.38 32.02 3d4r s VAL 130 CO -0.00 -0.65 0.96 2.30 0.00 0.00 0.00 175.10 177.71 3d4r n ILE 131 N 6.41 0.00 -3.80 2.22 -6.64 -0.74 0.20 119.36 117.01 3d4r n ILE 131 Ca 0.14 -0.36 -0.05 0.00 -1.77 0.00 0.00 62.75 60.71 3d4r n ILE 131 Cb 0.47 1.25 -0.01 0.00 -1.44 0.00 0.00 39.64 39.92 3d4r n ILE 131 CO 0.00 0.00 0.00 0.12 -1.77 0.00 0.00 176.55 174.90 3d4r s PHE 132 N -1.94 -0.12 0.00 4.28 5.36 -1.17 -4.86 117.98 119.54 3d4r s PHE 132 Ca 0.16 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 3d4r s PHE 132 Cb 0.15 0.67 0.00 0.00 -0.34 0.00 0.00 43.02 43.50 3d4r s PHE 132 CO 0.40 -0.99 0.00 -1.71 -1.46 0.00 0.00 175.22 171.46 3d4r n ASN 134 N -0.56 0.00 -4.66 6.13 5.15 -1.12 -0.94 115.26 119.26 3d4r n ASN 134 Ca -0.05 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.51 3d4r n ASN 134 Cb 0.60 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.82 3d4r n ASN 134 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3d4r s GLU 135 N -2.03 4.27 -0.13 1.20 -6.30 -1.26 -2.21 118.70 112.23 3d4r s GLU 135 Ca 0.00 1.16 -0.06 0.00 -2.50 0.00 0.00 54.97 53.57 3d4r s GLU 135 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 34.13 30.48 3d4r s GLU 135 CO 0.00 -0.47 0.09 0.42 0.02 0.00 0.00 175.26 175.32 3d4r s ILE 136 N 2.63 5.06 0.64 -3.70 -1.09 -0.62 -5.00 121.20 119.12 3d4r s ILE 136 Ca 0.41 0.05 -0.17 0.00 -2.23 0.00 0.00 60.65 58.70 3d4r s ILE 136 Cb -0.16 -3.21 -0.11 0.00 -1.58 0.00 0.00 42.46 37.40 3d4r s ILE 136 CO 0.10 0.56 0.08 -2.65 -1.23 0.00 0.00 174.94 171.81 3d4r n PRO 137 N 2.51 0.18 0.00 2.79 -0.02 -1.26 -4.29 135.00 134.91 3d4r n PRO 137 Ca -0.19 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 3d4r n PRO 137 Cb 0.54 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.66 3d4r n PRO 137 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3d4r n SER 138 N 1.51 0.00 0.06 2.55 7.64 -1.26 -4.92 113.62 119.20 3d4r n SER 138 Ca 0.08 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.06 3d4r n SER 138 Cb 0.49 0.00 0.43 0.00 -1.01 0.00 0.00 64.21 64.12 3d4r n SER 138 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 3d4r n GLU 139 N -0.35 0.11 -3.28 1.43 0.00 -1.26 -4.82 120.64 112.46 3d4r n GLU 139 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 57.16 57.32 3d4r n GLU 139 Cb 0.00 -1.68 -0.04 0.00 0.00 0.00 0.00 31.44 29.72 3d4r n GLU 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3d4r n ARG 140 N -1.88 0.45 -2.35 3.44 1.74 -1.26 -5.12 116.66 111.68 3d4r n ARG 140 Ca 0.04 -1.88 -0.42 0.00 -0.77 0.00 0.00 57.85 54.81 3d4r n ARG 140 Cb 0.24 1.31 -0.03 0.00 -1.02 0.00 0.00 32.46 32.97 3d4r n ARG 140 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d4r s ALA 141 N -2.69 3.55 -0.04 7.54 0.00 -1.04 -4.97 121.76 124.10 3d4r s ALA 141 Ca 0.17 0.71 -0.00 0.00 0.00 0.00 0.00 51.96 52.84 3d4r s ALA 141 Cb 0.01 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.59 3d4r s ALA 141 CO 0.12 -0.88 0.01 1.21 0.00 0.00 0.00 175.76 176.23 3d4r s ASN 142 N 1.73 0.75 0.14 0.00 2.47 -1.26 -2.07 114.94 116.71 3d4r s ASN 142 Ca 0.59 -0.01 0.07 0.00 0.42 0.00 0.00 52.86 53.93 3d4r s ASN 142 Cb -0.27 -0.24 -0.04 0.00 -1.45 0.00 0.00 41.25 39.25 3d4r s ASN 142 CO 0.23 -0.15 -0.16 -0.31 -3.72 0.00 0.00 177.10 172.99 3d4r s TYR 143 N 1.41 1.61 -0.05 0.43 2.02 -0.54 -1.59 117.35 120.64 3d4r s TYR 143 Ca -0.04 -0.52 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 3d4r s TYR 143 Cb -0.13 -0.82 0.02 0.00 -0.40 0.00 0.00 41.96 40.63 3d4r s TYR 143 CO -0.03 0.23 -0.05 0.08 -1.57 0.00 0.00 175.55 174.21 3d4r s VAL 144 N -2.10 0.60 -0.18 0.71 1.01 -0.94 -1.60 120.40 117.90 3d4r s VAL 144 Ca 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 3d4r s VAL 144 Cb -0.05 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3d4r s VAL 144 CO 0.05 0.24 0.06 -0.36 0.00 0.00 0.00 175.10 175.08 3d4r s PHE 145 N 0.88 3.24 0.43 5.22 0.40 -0.23 -2.78 117.98 125.14 3d4r s PHE 145 Ca -0.12 0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.33 3d4r s PHE 145 Cb -0.14 -2.08 -0.04 0.00 0.51 0.00 0.00 43.02 41.27 3d4r s PHE 145 CO 0.01 0.13 0.22 0.71 0.70 0.00 0.00 175.22 176.99 3d4r s TYR 146 N 0.41 2.46 -0.15 0.36 2.02 -0.12 -0.27 117.35 122.06 3d4r s TYR 146 Ca 0.03 -0.63 -0.04 0.00 -0.37 0.00 0.00 57.07 56.06 3d4r s TYR 146 Cb -0.12 -1.97 0.07 0.00 -0.40 0.00 0.00 41.96 39.54 3d4r s TYR 146 CO 0.00 0.07 0.17 -1.17 -1.57 0.00 0.00 175.55 173.05 3d4r s LEU 148 N -3.98 0.01 0.20 -1.29 2.96 0.22 -1.79 118.68 115.02 3d4r s LEU 148 Ca 0.39 -0.11 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 3d4r s LEU 148 Cb 0.02 0.19 -0.08 0.00 0.50 0.00 0.00 46.19 46.82 3d4r s LEU 148 CO 0.22 -0.30 1.20 -0.70 -1.32 0.00 0.00 176.35 175.45 3d4r s GLU 149 N 2.27 4.50 0.00 1.98 2.12 -1.26 -0.83 118.70 127.47 3d4r s GLU 149 Ca 0.04 1.89 0.28 0.00 0.36 0.00 0.00 54.97 57.55 3d4r s GLU 149 Cb -0.14 -3.22 1.67 0.00 0.26 0.00 0.00 34.13 32.69 3d4r s GLU 149 CO -0.09 -0.07 2.01 -0.85 -0.54 0.00 0.00 175.26 175.72