#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4r n GLU -6 N 0.00 0.77 -2.96 -0.41 1.02 -1.26 -4.82 120.64 112.99 3d4r n GLU -6 Ca 0.00 0.07 -0.44 0.00 -0.02 0.00 0.00 57.16 56.78 3d4r n GLU -6 Cb 0.00 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 3d4r n GLU -6 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3d4r s ASN -5 N -5.46 6.41 -1.24 1.62 2.47 -1.26 -4.93 114.94 112.55 3d4r s ASN -5 Ca -0.20 -1.64 -0.09 0.00 0.42 0.00 0.00 52.86 51.35 3d4r s ASN -5 Cb 0.06 -2.38 0.19 0.00 -1.45 0.00 0.00 41.25 37.67 3d4r s ASN -5 CO 0.45 -1.17 1.75 0.18 -3.72 0.00 0.00 177.10 174.58 3d4r n LEU -4 N 6.75 6.40 0.00 3.21 4.77 -1.26 -4.83 117.00 132.05 3d4r n LEU -4 Ca 0.09 -4.70 0.07 0.00 -0.03 0.00 0.00 56.01 51.43 3d4r n LEU -4 Cb 0.47 -1.47 0.30 0.00 -2.33 0.00 0.00 43.42 40.39 3d4r n LEU -4 CO 0.55 1.33 0.72 0.00 -1.33 0.00 0.00 177.39 178.66 3d4r n TYR -3 N 3.75 0.01 0.73 -1.77 0.18 -1.26 -2.15 117.16 116.64 3d4r n TYR -3 Ca 0.37 0.00 0.11 0.00 1.88 0.00 0.00 57.90 60.27 3d4r n TYR -3 Cb 0.37 -0.50 0.13 0.00 -0.38 0.00 0.00 39.34 38.95 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 -1.51 0.15 -1.86 -3.48 3.72 -1.26 -4.99 117.46 108.23 3d4r n PHE -2 Ca 0.03 -0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 56.94 3d4r n PHE -2 Cb 0.16 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.68 3d4r n PHE -2 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 3d4r s GLN -1 N -1.73 4.18 -0.35 -1.08 0.74 -0.91 -4.79 119.66 115.72 3d4r s GLN -1 Ca 0.29 2.46 -0.08 0.00 0.05 0.00 0.00 55.36 58.09 3d4r s GLN -1 Cb 0.20 -3.09 0.01 0.00 1.10 0.00 0.00 33.01 31.23 3d4r s GLN -1 CO 0.29 -0.61 0.43 0.41 -0.55 0.00 0.00 175.29 175.25 3d4r n GLY 0 N 3.03 -1.07 2.75 2.59 0.00 -1.26 -5.16 105.19 106.07 3d4r n GLY 0 Ca 0.11 0.68 -0.29 0.00 0.00 0.00 0.00 46.02 46.52 3d4r n GLY 0 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d4r s LYS 2 N -2.33 0.75 0.28 1.61 2.20 -1.26 -5.27 119.74 115.73 3d4r s LYS 2 Ca 0.13 -0.78 0.10 0.00 -0.36 0.00 0.00 55.97 55.05 3d4r s LYS 2 Cb -0.04 -2.06 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 3d4r s LYS 2 CO 0.52 -0.81 -0.14 0.96 -0.36 0.00 0.00 175.35 175.52 3d4r s ILE 3 N 1.71 2.12 1.00 5.43 -4.36 -1.26 -5.02 121.20 120.82 3d4r s ILE 3 Ca 0.04 -2.27 -0.13 0.00 -0.26 0.00 0.00 60.65 58.03 3d4r s ILE 3 Cb -0.17 -2.37 0.19 0.00 1.25 0.00 0.00 42.46 41.36 3d4r s ILE 3 CO -0.17 -0.37 1.11 -2.84 0.24 0.00 0.00 174.94 172.91 3d4r s PRO 4 N -3.60 0.42 -0.12 0.37 0.02 -1.26 -4.56 135.00 126.26 3d4r s PRO 4 Ca 0.29 0.38 -0.05 0.00 0.02 0.00 0.00 61.00 61.65 3d4r s PRO 4 Cb -0.01 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.73 3d4r s PRO 4 CO 0.13 -2.71 0.05 0.15 -0.33 0.00 0.00 177.00 174.30 3d4r s LYS 5 N -5.09 3.33 -0.05 5.54 1.02 -0.17 -4.95 119.74 119.37 3d4r s LYS 5 Ca 0.66 -0.31 0.06 0.00 0.02 0.00 0.00 55.97 56.39 3d4r s LYS 5 Cb -0.17 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3d4r s LYS 5 CO 0.56 0.63 -0.24 -1.50 -0.92 0.00 0.00 175.35 173.89 3d4r s ILE 6 N -0.66 1.95 -0.07 2.17 2.07 -1.26 -0.37 121.20 125.03 3d4r s ILE 6 Ca 0.11 -1.01 0.05 0.00 -1.41 0.00 0.00 60.65 58.39 3d4r s ILE 6 Cb -0.12 -1.64 -0.00 0.00 0.13 0.00 0.00 42.46 40.83 3d4r s ILE 6 CO 0.02 0.54 -0.22 -0.31 -1.91 0.00 0.00 174.94 173.07 3d4r s TYR 7 N -0.20 2.21 -0.06 3.50 1.51 0.58 -1.65 117.35 123.25 3d4r s TYR 7 Ca -0.02 -0.74 0.05 0.00 -1.01 0.00 0.00 57.07 55.35 3d4r s TYR 7 Cb -0.13 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.22 3d4r s TYR 7 CO 0.03 -0.26 -0.19 0.08 -1.11 0.00 0.00 175.55 174.10 3d4r s VAL 8 N 0.09 2.65 0.27 0.71 1.01 -0.03 -0.99 120.40 124.11 3d4r s VAL 8 Ca -0.09 -0.87 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3d4r s VAL 8 Cb -0.15 -2.01 -0.11 0.00 0.00 0.00 0.00 36.38 34.12 3d4r s VAL 8 CO 0.05 0.58 1.51 -0.70 0.00 0.00 0.00 175.10 176.53 3d4r s GLU 9 N -0.44 4.20 -0.81 2.72 2.12 0.42 -0.44 118.70 126.48 3d4r s GLU 9 Ca 0.05 2.42 0.00 0.00 0.36 0.00 0.00 54.97 57.80 3d4r s GLU 9 Cb -0.12 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3d4r s GLU 9 CO 0.02 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 3d4r n GLY 10 N 2.15 0.77 3.03 -1.50 0.00 -0.77 -4.82 105.19 104.05 3d4r n GLY 10 Ca 0.07 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3d4r n GLY 10 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3d4r n GLU 11 N -0.61 3.44 -1.68 1.61 4.07 -1.22 -4.98 120.64 121.27 3d4r n GLU 11 Ca -0.08 -3.47 -0.47 0.00 -0.06 0.00 0.00 57.16 53.09 3d4r n GLU 11 Cb 0.52 -3.03 -0.04 0.00 -0.06 0.00 0.00 31.44 28.82 3d4r n GLU 11 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 3d4r n LEU 12 N 4.85 3.53 0.00 4.31 7.94 -1.26 -4.62 117.00 131.75 3d4r n LEU 12 Ca 0.41 0.98 -0.05 0.00 -1.11 0.00 0.00 56.01 56.24 3d4r n LEU 12 Cb 0.39 -1.41 0.01 0.00 0.53 0.00 0.00 43.42 42.94 3d4r n LEU 12 CO 0.78 -0.04 0.25 -0.46 -1.11 0.00 0.00 177.39 176.82 3d4r n ASN 13 N 6.35 -1.12 -1.71 1.96 0.23 -1.26 -5.04 115.26 114.67 3d4r n ASN 13 Ca 0.21 -1.83 0.02 0.00 -0.53 0.00 0.00 54.58 52.46 3d4r n ASN 13 Cb 0.31 1.88 0.31 0.00 -2.08 0.00 0.00 39.78 40.20 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 -1.34 4.74 -4.15 0.53 5.75 -1.26 -4.97 116.55 115.85 3d4r n ASP 14 Ca -0.04 -2.85 -0.28 0.00 -0.01 0.00 0.00 54.79 51.61 3d4r n ASP 14 Cb 0.30 -0.67 0.18 0.00 -1.03 0.00 0.00 41.12 39.90 3d4r n ASP 14 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3d4r s GLY 15 N -0.67 1.80 0.70 6.12 0.00 -1.26 -5.05 107.32 108.96 3d4r s GLY 15 Ca 0.45 -1.46 -0.13 0.00 0.00 0.00 0.00 44.72 43.58 3d4r s GLY 15 CO 0.13 -0.69 1.09 0.99 0.00 0.00 0.00 173.10 174.62 3d4r s ASP 16 N -4.92 4.99 0.12 1.64 1.01 -1.26 -4.69 116.67 113.56 3d4r s ASP 16 Ca 0.74 1.86 0.05 0.00 0.71 0.00 0.00 52.55 55.92 3d4r s ASP 16 Cb -0.03 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 3d4r s ASP 16 CO 0.52 -1.71 -0.13 -0.13 0.21 0.00 0.00 175.17 173.93 3d4r s ARG 17 N -4.51 1.00 -0.03 8.23 0.52 -1.26 -0.89 118.95 122.01 3d4r s ARG 17 Ca 0.63 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 3d4r s ARG 17 Cb -0.18 -0.82 0.01 0.00 0.52 0.00 0.00 34.95 34.48 3d4r s ARG 17 CO 0.48 0.15 -0.07 0.54 0.02 0.00 0.00 175.30 176.42 3d4r s VAL 18 N -2.29 0.62 -0.23 3.52 0.11 -0.54 -1.50 120.40 120.09 3d4r s VAL 18 Ca 0.09 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 58.76 3d4r s VAL 18 Cb -0.04 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3d4r s VAL 18 CO 0.02 0.21 0.29 0.00 -3.33 0.00 0.00 175.10 172.29 3d4r s ALA 19 N 0.35 3.58 -0.35 1.54 0.00 0.80 -0.81 121.76 126.87 3d4r s ALA 19 Ca -0.05 -0.75 -0.14 0.00 0.00 0.00 0.00 51.96 51.02 3d4r s ALA 19 Cb -0.09 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 3d4r s ALA 19 CO 0.00 -0.33 0.29 0.42 0.00 0.00 0.00 175.76 176.14 3d4r s ILE 20 N 1.37 5.24 0.49 0.00 -1.09 0.12 -1.25 121.20 126.08 3d4r s ILE 20 Ca 0.13 -0.20 0.06 0.00 -2.23 0.00 0.00 60.65 58.41 3d4r s ILE 20 Cb -0.14 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 36.95 3d4r s ILE 20 CO 0.07 -0.09 0.33 -1.61 -1.23 0.00 0.00 174.94 172.41 3d4r s GLU 21 N 1.82 2.30 -1.39 2.79 0.41 -0.03 -1.01 118.70 123.58 3d4r s GLU 21 Ca 0.08 -1.91 -0.09 0.00 -0.41 0.00 0.00 54.97 52.63 3d4r s GLU 21 Cb -0.17 -2.09 0.01 0.00 -1.78 0.00 0.00 34.13 30.10 3d4r s GLU 21 CO 0.11 -0.41 0.36 1.63 -0.49 0.00 0.00 175.26 176.45 3d4r n LYS 22 N -1.58 -1.57 -4.24 1.61 5.02 -1.26 -1.08 118.16 115.06 3d4r n LYS 22 Ca -0.02 0.23 -0.36 0.00 -2.02 0.00 0.00 58.31 56.14 3d4r n LYS 22 Cb 0.64 -3.72 -0.03 0.00 -0.02 0.00 0.00 35.03 31.89 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 -2.75 -2.74 0.00 4.39 5.75 -1.26 -1.37 116.55 118.57 3d4r n ASP 23 Ca -0.25 -1.04 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 3d4r n ASP 23 Cb 0.66 -2.63 0.00 0.00 -1.03 0.00 0.00 41.12 38.12 3d4r n ASP 23 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d4r n GLY 24 N -1.46 0.29 0.23 6.12 0.00 -0.24 -4.99 105.19 105.13 3d4r n GLY 24 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.91 -3.93 1.61 3.02 -0.47 -4.84 115.26 111.56 3d4r n ASN 25 Ca 0.00 -0.86 -0.13 0.00 -0.03 0.00 0.00 54.58 53.56 3d4r n ASN 25 Cb 0.00 0.07 -0.14 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.45 0.23 -0.08 5.41 0.00 -1.01 -4.95 121.76 118.92 3d4r s ALA 26 Ca 0.27 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.03 3d4r s ALA 26 Cb 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.31 3d4r s ALA 26 CO 0.49 0.02 -0.13 0.42 0.00 0.00 0.00 175.76 176.56 3d4r s ILE 27 N -0.33 1.26 -0.11 0.00 -1.09 -1.26 -0.85 121.20 118.82 3d4r s ILE 27 Ca -0.02 -0.54 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 3d4r s ILE 27 Cb -0.03 -1.15 0.03 0.00 -1.58 0.00 0.00 42.46 39.73 3d4r s ILE 27 CO -0.00 0.39 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.44 3d4r s ILE 28 N 0.76 0.68 -0.23 2.92 1.01 -0.38 -4.99 121.20 120.98 3d4r s ILE 28 Ca -0.12 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.10 3d4r s ILE 28 Cb -0.16 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3d4r s ILE 28 CO 0.03 0.21 0.82 -0.36 0.00 0.00 0.00 174.94 175.64 3d4r s PHE 29 N 1.84 3.33 0.18 3.97 0.08 -1.26 -0.14 117.98 125.97 3d4r s PHE 29 Ca 0.04 1.15 -0.24 0.00 0.12 0.00 0.00 56.93 58.00 3d4r s PHE 29 Cb -0.13 -3.04 -0.08 0.00 -0.57 0.00 0.00 43.02 39.20 3d4r s PHE 29 CO -0.07 -0.37 0.76 -0.51 -0.10 0.00 0.00 175.22 174.93 3d4r s LEU 30 N 2.69 4.53 0.47 -0.37 1.43 -0.56 -4.98 118.68 121.89 3d4r s LEU 30 Ca 0.35 1.58 -0.23 0.00 -1.03 0.00 0.00 54.13 54.80 3d4r s LEU 30 Cb -0.15 -3.35 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 3d4r s LEU 30 CO 0.08 0.17 1.25 -1.83 0.23 0.00 0.00 176.35 176.25 3d4r s GLU 31 N -1.35 3.64 0.17 1.70 4.04 -1.26 -4.45 118.70 121.19 3d4r s GLU 31 Ca 0.37 1.99 -0.33 0.00 0.04 0.00 0.00 54.97 57.04 3d4r s GLU 31 Cb -0.21 -2.45 -0.14 0.00 0.02 0.00 0.00 34.13 31.35 3d4r s GLU 31 CO 0.25 -0.71 1.60 1.63 -1.84 0.00 0.00 175.26 176.18 3d4r n LYS 32 N -0.48 2.26 -0.86 -4.83 4.76 -1.26 -1.77 118.16 115.97 3d4r n LYS 32 Ca 0.07 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.33 3d4r n LYS 32 Cb 0.46 -2.60 0.00 0.00 -1.84 0.00 0.00 35.03 31.06 3d4r n LYS 32 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3d4r n ASP 33 N 3.47 -1.45 -4.74 4.39 5.75 -1.26 -5.00 116.55 117.71 3d4r n ASP 33 Ca 0.17 0.00 -0.41 0.00 -0.01 0.00 0.00 54.79 54.54 3d4r n ASP 33 Cb 0.30 -1.27 -0.04 0.00 -1.03 0.00 0.00 41.12 39.08 3d4r n ASP 33 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 3d4r s GLU 34 N -0.55 4.56 -0.37 0.11 1.03 -0.73 -4.99 118.70 117.76 3d4r s GLU 34 Ca 0.00 1.78 -0.25 0.00 0.03 0.00 0.00 54.97 56.53 3d4r s GLU 34 Cb 0.00 -3.26 0.01 0.00 -0.80 0.00 0.00 34.13 30.08 3d4r s GLU 34 CO 0.00 0.02 0.89 -1.83 -1.33 0.00 0.00 175.26 173.01 3d4r s GLU 35 N -0.36 3.82 -0.23 -4.83 4.04 -1.26 -4.89 118.70 114.99 3d4r s GLU 35 Ca 0.50 0.51 -0.26 0.00 0.04 0.00 0.00 54.97 55.76 3d4r s GLU 35 Cb -0.31 -3.81 -0.00 0.00 0.02 0.00 0.00 34.13 30.04 3d4r s GLU 35 CO 0.36 -0.92 0.88 -0.47 -1.84 0.00 0.00 175.26 173.26 3d4r s TYR 36 N 3.38 3.33 -1.12 4.83 5.04 -1.26 -4.91 117.35 126.63 3d4r s TYR 36 Ca 0.36 1.22 0.12 0.00 -2.44 0.00 0.00 57.07 56.34 3d4r s TYR 36 Cb -0.12 -3.10 -0.01 0.00 0.35 0.00 0.00 41.96 39.08 3d4r s TYR 36 CO 0.18 -0.41 0.72 0.43 -1.34 0.00 0.00 175.55 175.13 3d4r n SER 37 N 6.02 1.36 -2.95 4.32 7.64 -1.26 -5.03 113.62 123.71 3d4r n SER 37 Ca 0.07 -1.18 -0.12 0.00 1.01 0.00 0.00 58.87 58.65 3d4r n SER 37 Cb 0.47 0.47 0.10 0.00 -1.01 0.00 0.00 64.21 64.25 3d4r n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d4r n GLY 38 N 0.99 -2.83 0.70 0.23 0.00 -1.26 -5.03 105.19 97.98 3d4r n GLY 38 Ca 0.05 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.71 3d4r n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d4r n ASN 39 N -3.82 1.55 -1.87 1.61 3.02 -1.26 -5.06 115.26 109.43 3d4r n ASN 39 Ca 0.06 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 3d4r n ASN 39 Cb 0.23 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3d4r n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d4r n GLY 40 N -0.74 1.11 3.74 7.41 0.00 -1.26 -5.02 105.19 110.42 3d4r n GLY 40 Ca 0.14 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.77 4.31 -0.21 1.61 1.02 -0.18 -4.89 119.74 119.63 3d4r s LYS 41 Ca 0.00 0.53 -0.12 0.00 0.02 0.00 0.00 55.97 56.40 3d4r s LYS 41 Cb 0.00 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.86 3d4r s LYS 41 CO 0.00 0.23 0.20 -0.51 -0.92 0.00 0.00 175.35 174.35 3d4r s LEU 42 N 0.37 4.17 -0.10 3.17 1.43 -1.26 0.12 118.68 126.58 3d4r s LEU 42 Ca 0.28 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 3d4r s LEU 42 Cb -0.16 -2.20 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 3d4r s LEU 42 CO 0.12 0.09 -0.03 -0.76 0.23 0.00 0.00 176.35 176.00 3d4r s LEU 43 N 0.79 3.39 0.01 1.79 1.43 0.01 -1.85 118.68 124.25 3d4r s LEU 43 Ca 0.11 0.03 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 3d4r s LEU 43 Cb -0.13 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3d4r s LEU 43 CO 0.03 0.32 -0.16 -0.31 0.23 0.00 0.00 176.35 176.45 3d4r s TYR 44 N -0.53 2.62 0.06 0.29 1.51 0.42 -1.47 117.35 120.26 3d4r s TYR 44 Ca 0.08 -0.22 -0.31 0.00 -1.01 0.00 0.00 57.07 55.62 3d4r s TYR 44 Cb -0.12 -1.53 -0.07 0.00 -0.11 0.00 0.00 41.96 40.13 3d4r s TYR 44 CO 0.02 0.23 1.50 -1.14 -1.11 0.00 0.00 175.55 175.04 3d4r s GLN 45 N -1.19 4.26 0.07 -0.62 0.74 -0.07 -0.85 119.66 122.00 3d4r s GLN 45 Ca 0.14 2.14 0.09 0.00 0.05 0.00 0.00 55.36 57.78 3d4r s GLN 45 Cb -0.11 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 3d4r s GLN 45 CO 0.04 -0.60 -0.25 0.14 -0.55 0.00 0.00 175.29 174.07 3d4r s VAL 46 N 2.10 2.06 0.08 1.34 -7.23 -0.66 -4.66 120.40 113.42 3d4r s VAL 46 Ca 0.68 -1.48 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 3d4r s VAL 46 Cb -0.36 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3d4r s VAL 46 CO 0.30 0.22 0.00 -0.38 -0.31 0.00 0.00 175.10 174.93 3d4r n ILE 47 N 1.48 0.53 -3.38 -0.62 5.41 -1.26 -4.30 119.36 117.22 3d4r n ILE 47 Ca -0.17 0.18 -0.45 0.00 1.00 0.00 0.00 62.75 63.30 3d4r n ILE 47 Cb 0.53 -1.10 -0.04 0.00 -0.71 0.00 0.00 39.64 38.32 3d4r n ILE 47 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 3d4r s TYR 48 N -1.54 3.64 0.15 1.39 2.02 -1.26 -4.99 117.35 116.77 3d4r s TYR 48 Ca 0.00 -1.98 -0.14 0.00 -0.37 0.00 0.00 57.07 54.58 3d4r s TYR 48 Cb 0.00 -3.73 0.02 0.00 -0.40 0.00 0.00 41.96 37.85 3d4r s TYR 48 CO 0.00 -0.98 0.39 0.34 -1.57 0.00 0.00 175.55 173.73 3d4r s ASP 49 N 2.20 -0.14 -0.45 2.29 -1.08 -1.26 -5.08 116.67 113.15 3d4r s ASP 49 Ca 0.15 -0.52 -0.16 0.00 -0.52 0.00 0.00 52.55 51.50 3d4r s ASP 49 Cb -0.15 0.48 0.05 0.00 -1.46 0.00 0.00 42.92 41.84 3d4r s ASP 49 CO -0.06 -0.91 0.40 -0.62 0.52 0.00 0.00 175.17 174.50 3d4r s ASP 50 N -2.87 6.15 0.56 -0.34 2.15 -1.26 -4.73 116.67 116.34 3d4r s ASP 50 Ca 0.08 -1.04 0.30 0.00 0.43 0.00 0.00 52.55 52.32 3d4r s ASP 50 Cb 0.02 -2.20 1.65 0.00 -0.30 0.00 0.00 42.92 42.09 3d4r s ASP 50 CO -0.07 -0.60 2.15 0.25 -0.17 0.00 0.00 175.17 176.73 3d4r h LEU 51 N 8.87 0.00 -2.60 -1.34 5.85 -1.98 -1.70 115.31 122.42 3d4r h LEU 51 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3d4r h LEU 51 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3d4r h LEU 51 CO 0.83 0.07 0.06 0.00 -0.34 0.00 0.00 178.44 179.06 3d4r h ALA 52 N 1.93 1.06 0.00 1.25 0.00 -1.99 -0.93 119.26 120.59 3d4r h ALA 52 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3d4r h ALA 52 Cb 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3d4r h ALA 52 CO 0.01 -0.06 -0.32 0.87 0.00 0.00 0.00 179.25 179.75 3d4r h LYS 53 N 0.00 0.00 -2.18 0.00 1.57 -1.74 -3.44 116.57 110.79 3d4r h LYS 53 Ca 0.00 0.00 -0.77 0.00 -1.87 0.00 0.00 60.65 58.01 3d4r h LYS 53 Cb 0.12 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.14 3d4r h LYS 53 CO 0.00 0.32 0.80 0.66 -0.57 0.00 0.00 179.45 180.66 3d4r n TYR 54 N -3.76 2.98 -3.19 -1.35 4.01 -0.36 -5.02 117.16 110.47 3d4r n TYR 54 Ca -0.01 -2.69 0.01 0.00 -0.16 0.00 0.00 57.90 55.05 3d4r n TYR 54 Cb 0.41 -1.08 -0.02 0.00 -0.31 0.00 0.00 39.34 38.35 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 -1.60 -1.11 1.32 7.72 0.15 -0.23 0.02 113.70 119.96 3d4r s SER 56 Ca 0.43 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.43 3d4r s SER 56 Cb 0.26 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 66.44 3d4r s SER 56 CO -0.19 -0.29 0.00 0.18 1.20 0.00 0.00 173.24 174.13 3d4r n LEU 57 N 5.41 0.00 -0.31 3.45 4.77 -1.26 -2.40 117.00 126.66 3d4r n LEU 57 Ca 0.02 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 3d4r n LEU 57 Cb 0.52 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.71 3d4r n LEU 57 CO -0.01 0.00 0.44 -0.90 -1.33 0.00 0.00 177.39 175.58 3d4r n ASP 58 N 10.32 1.58 -4.34 -1.43 5.68 -1.26 -5.00 116.55 122.10 3d4r n ASP 58 Ca 0.00 -2.83 -0.32 0.00 -0.50 0.00 0.00 54.79 51.14 3d4r n ASP 58 Cb 0.00 -0.37 -0.15 0.00 -1.14 0.00 0.00 41.12 39.45 3d4r n ASP 58 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3d4r s THR 59 N -2.00 2.49 0.09 2.12 -4.23 -1.01 -0.30 115.64 112.79 3d4r s THR 59 Ca 0.24 -0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 59.53 3d4r s THR 59 Cb 0.22 -1.95 -0.07 0.00 1.34 0.00 0.00 72.50 72.04 3d4r s THR 59 CO 0.00 0.57 1.39 -0.22 -0.54 0.00 0.00 174.62 175.82 3d4r s LEU 60 N -0.21 4.36 0.16 4.79 2.96 -0.30 -1.07 118.68 129.37 3d4r s LEU 60 Ca -0.01 2.28 0.19 0.00 -0.22 0.00 0.00 54.13 56.36 3d4r s LEU 60 Cb -0.13 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 3d4r s LEU 60 CO 0.03 -0.66 1.02 0.11 -1.32 0.00 0.00 176.35 175.54 3d4r h LYS 61 N 7.01 0.00 -6.57 1.98 1.57 -0.77 0.39 116.57 120.18 3d4r h LYS 61 Ca -0.41 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.70 3d4r h LYS 61 Cb 1.20 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.26 3d4r h LYS 61 CO 0.87 0.21 -0.87 0.15 -0.57 0.00 0.00 179.45 179.24 3d4r s LYS 62 N -3.09 1.65 0.30 3.15 -0.14 -1.23 -4.81 119.74 115.59 3d4r s LYS 62 Ca -0.01 -1.09 -0.29 0.00 -1.36 0.00 0.00 55.97 53.23 3d4r s LYS 62 Cb 0.09 -1.84 -0.10 0.00 -1.68 0.00 0.00 37.83 34.29 3d4r s LYS 62 CO 0.79 0.47 1.38 -0.51 -0.76 0.00 0.00 175.35 176.71 3d4r s ASP 63 N -1.30 6.68 0.01 2.83 1.11 -1.26 -4.30 116.67 120.44 3d4r s ASP 63 Ca 0.11 2.72 0.06 0.00 0.18 0.00 0.00 52.55 55.62 3d4r s ASP 63 Cb -0.10 -2.64 -0.02 0.00 1.07 0.00 0.00 42.92 41.23 3d4r s ASP 63 CO 0.02 -0.63 -0.19 -0.69 1.18 0.00 0.00 175.17 174.86 3d4r s VAL 64 N -0.71 1.49 -0.04 -1.27 1.01 -0.33 -0.43 120.40 120.12 3d4r s VAL 64 Ca 0.53 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3d4r s VAL 64 Cb -0.41 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 34.71 3d4r s VAL 64 CO 0.50 0.32 -0.13 -0.22 0.00 0.00 0.00 175.10 175.57 3d4r s LEU 65 N -0.72 1.78 -0.13 3.92 0.20 -0.16 -0.05 118.68 123.53 3d4r s LEU 65 Ca 0.07 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.61 3d4r s LEU 65 Cb -0.08 -0.77 -0.01 0.00 -0.43 0.00 0.00 46.19 44.90 3d4r s LEU 65 CO 0.00 0.09 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.38 3d4r s ILE 66 N 0.28 2.99 -0.28 6.68 1.01 0.11 -0.31 121.20 131.68 3d4r s ILE 66 Ca -0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3d4r s ILE 66 Cb -0.12 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.15 3d4r s ILE 66 CO 0.02 0.53 -0.04 -1.58 0.00 0.00 0.00 174.94 173.87 3d4r s GLN 67 N 0.36 2.43 0.58 2.79 0.74 0.50 -1.28 119.66 125.77 3d4r s GLN 67 Ca -0.11 -1.26 -0.16 0.00 0.05 0.00 0.00 55.36 53.88 3d4r s GLN 67 Cb -0.16 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 3d4r s GLN 67 CO 0.06 -0.58 1.04 0.71 -0.55 0.00 0.00 175.29 175.97 3d4r s TYR 68 N 1.22 3.10 -0.34 1.67 2.02 -0.82 -1.00 117.35 123.21 3d4r s TYR 68 Ca -0.06 1.50 0.20 0.00 -0.37 0.00 0.00 57.07 58.34 3d4r s TYR 68 Cb -0.19 -2.95 1.03 0.00 -0.40 0.00 0.00 41.96 39.44 3d4r s TYR 68 CO -0.02 -0.94 1.62 -2.30 -1.57 0.00 0.00 175.55 172.33 3d4r n PRO 69 N -1.95 0.14 0.25 -1.71 -0.02 -1.26 -2.12 135.00 128.33 3d4r n PRO 69 Ca 0.08 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.25 3d4r n PRO 69 Cb 0.53 -1.90 0.64 0.00 -0.02 0.00 0.00 33.50 32.75 3d4r n PRO 69 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3d4r h ASP 70 N 0.00 0.00 -2.48 2.55 3.04 -1.92 -3.47 116.42 114.14 3d4r h ASP 70 Ca 0.00 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.56 3d4r h ASP 70 Cb 0.08 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.40 3d4r h ASP 70 CO 0.00 0.16 -0.33 0.29 -2.04 0.00 0.00 179.24 177.32 3d4r n LYS 71 N -3.63 -2.34 0.00 4.15 5.02 -0.90 -4.85 118.16 115.61 3d4r n LYS 71 Ca -0.01 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 3d4r n LYS 71 Cb 0.29 -4.59 0.00 0.00 -0.02 0.00 0.00 35.03 30.72 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 -3.97 0.00 -4.27 2.13 8.25 -1.26 -5.12 115.22 110.98 3d4r n HIS 72 Ca -0.08 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 3d4r n HIS 72 Cb 0.58 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.60 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 -1.00 3.86 0.04 1.59 2.01 -1.26 -5.05 115.64 115.83 3d4r s THR 73 Ca 0.00 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.07 3d4r s THR 73 Cb 0.00 -2.76 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 3d4r s THR 73 CO 0.00 0.26 0.12 -1.48 -0.69 0.00 0.00 174.62 172.83 3d4r s LEU 74 N -1.86 1.72 -0.06 4.42 0.05 -1.26 -1.94 118.68 119.75 3d4r s LEU 74 Ca 0.21 -0.52 0.03 0.00 0.05 0.00 0.00 54.13 53.90 3d4r s LEU 74 Cb -0.11 0.68 0.01 0.00 -2.05 0.00 0.00 46.19 44.72 3d4r s LEU 74 CO 0.13 -0.53 -0.13 -0.89 -0.55 0.00 0.00 176.35 174.37 3d4r s THR 75 N -2.71 1.18 -0.21 5.48 2.01 -0.41 -4.99 115.64 115.99 3d4r s THR 75 Ca -0.04 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.45 3d4r s THR 75 Cb -0.01 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.49 3d4r s THR 75 CO -0.05 0.36 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.63 3d4r s TYR 76 N 0.48 2.83 -0.32 4.92 5.04 -1.26 -0.71 117.35 128.33 3d4r s TYR 76 Ca -0.11 -1.87 -0.08 0.00 -2.44 0.00 0.00 57.07 52.56 3d4r s TYR 76 Cb -0.14 -1.83 0.01 0.00 0.35 0.00 0.00 41.96 40.35 3d4r s TYR 76 CO 0.03 -0.81 0.13 -0.51 -1.34 0.00 0.00 175.55 173.05 3d4r s LEU 77 N 1.26 4.15 0.61 6.97 1.43 0.93 -5.01 118.68 129.02 3d4r s LEU 77 Ca -0.02 -0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 52.15 3d4r s LEU 77 Cb -0.17 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3d4r s LEU 77 CO -0.09 -0.25 1.13 -0.54 0.23 0.00 0.00 176.35 176.84 3d4r s LYS 78 N 1.53 3.00 0.39 1.70 1.02 -1.26 -1.18 119.74 124.94 3d4r s LYS 78 Ca 0.03 1.52 -0.26 0.00 0.02 0.00 0.00 55.97 57.28 3d4r s LYS 78 Cb -0.18 -1.97 -0.11 0.00 -0.52 0.00 0.00 37.83 35.06 3d4r s LYS 78 CO 0.04 -1.11 1.25 0.00 -0.92 0.00 0.00 175.35 174.62 3d4r n ALA 79 N -1.93 1.18 0.00 5.17 0.00 -1.26 -2.29 120.51 121.39 3d4r n ALA 79 Ca 0.11 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3d4r n ALA 79 Cb 0.51 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 0.83 0.58 3.69 0.00 0.00 0.14 -4.98 105.19 105.45 3d4r n GLY 80 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.10 3.02 -0.06 2.61 2.01 -0.97 -4.70 115.64 115.46 3d4r s THR 81 Ca 0.00 0.52 -0.26 0.00 0.31 0.00 0.00 61.69 62.27 3d4r s THR 81 Cb 0.00 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 3d4r s THR 81 CO 0.00 0.00 0.80 -0.75 -0.69 0.00 0.00 174.62 173.98 3d4r s LYS 82 N 2.41 4.45 0.05 4.92 2.47 -1.26 -1.15 119.74 131.62 3d4r s LYS 82 Ca 0.73 1.05 0.08 0.00 -1.56 0.00 0.00 55.97 56.27 3d4r s LYS 82 Cb -0.40 -3.47 -0.03 0.00 -1.46 0.00 0.00 37.83 32.47 3d4r s LYS 82 CO 0.32 -0.03 -0.21 -0.51 0.16 0.00 0.00 175.35 175.07 3d4r s LEU 83 N 1.07 2.18 -0.18 5.43 1.43 0.58 -4.63 118.68 124.57 3d4r s LEU 83 Ca 0.42 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.88 3d4r s LEU 83 Cb -0.18 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.99 3d4r s LEU 83 CO 0.20 0.16 0.11 -0.63 0.23 0.00 0.00 176.35 176.42 3d4r s ILE 84 N -0.84 5.20 -0.18 -0.59 1.01 -1.26 -4.72 121.20 119.82 3d4r s ILE 84 Ca 0.08 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.75 3d4r s ILE 84 Cb -0.09 -3.35 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 3d4r s ILE 84 CO 0.02 0.47 0.11 -0.94 0.00 0.00 0.00 174.94 174.60 3d4r s SER 85 N 0.16 6.08 -0.39 3.58 1.04 -1.26 -4.23 113.70 118.69 3d4r s SER 85 Ca 0.07 0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.78 3d4r s SER 85 Cb -0.12 -2.04 0.11 0.00 0.10 0.00 0.00 66.02 64.08 3d4r s SER 85 CO -0.01 0.23 0.11 -0.69 0.98 0.00 0.00 173.24 173.86 3d4r s VAL 86 N 0.08 2.25 0.39 5.02 1.01 0.18 -4.96 120.40 124.36 3d4r s VAL 86 Ca 0.08 -2.56 -0.24 0.00 0.00 0.00 0.00 61.98 59.26 3d4r s VAL 86 Cb -0.11 -2.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.54 3d4r s VAL 86 CO -0.00 -0.67 1.03 -2.16 0.00 0.00 0.00 175.10 173.30 3d4r s PRO 87 N 0.61 4.24 -0.41 2.72 0.04 -1.26 -0.70 135.00 140.23 3d4r s PRO 87 Ca 0.13 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.66 3d4r s PRO 87 Cb -0.21 -2.57 0.12 0.00 0.04 0.00 0.00 34.50 31.88 3d4r s PRO 87 CO -0.07 -0.07 0.18 0.00 0.04 0.00 0.00 177.00 177.08 3d4r s ALA 88 N -1.67 2.42 -0.06 8.56 0.00 0.14 -4.95 121.76 126.19 3d4r s ALA 88 Ca 0.57 -2.54 0.04 0.00 0.00 0.00 0.00 51.96 50.03 3d4r s ALA 88 Cb -0.21 -1.91 -0.00 0.00 0.00 0.00 0.00 23.12 21.00 3d4r s ALA 88 CO 0.27 -1.90 -0.19 -1.21 0.00 0.00 0.00 175.76 172.73 3d4r s GLU 89 N 0.58 2.09 0.00 0.00 2.02 -1.26 -1.78 118.70 120.34 3d4r s GLU 89 Ca 0.15 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.47 3d4r s GLU 89 Cb -0.22 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.26 3d4r s GLU 89 CO -0.06 0.22 0.00 0.41 0.02 0.00 0.00 175.26 175.85 3d4r n GLY 90 N 3.28 -0.80 0.26 -1.39 0.00 -1.26 -5.00 105.19 100.28 3d4r n GLY 90 Ca -0.19 -1.01 -0.03 0.00 0.00 0.00 0.00 46.02 44.79 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 0.75 -3.65 1.61 3.20 -1.93 -3.41 116.97 113.54 3d4r h TYR 91 Ca 0.00 0.02 -0.26 0.00 3.14 0.00 0.00 58.73 61.63 3d4r h TYR 91 Cb 0.00 -0.24 -0.30 0.00 1.54 0.00 0.00 36.73 37.73 3d4r h TYR 91 CO 0.00 0.40 -0.73 0.21 -1.64 0.00 0.00 178.16 176.40 3d4r s LYS 92 N -6.11 0.00 -0.07 1.82 2.20 -0.53 -5.00 119.74 112.05 3d4r s LYS 92 Ca -0.13 0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.58 3d4r s LYS 92 Cb 0.16 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 3d4r s LYS 92 CO 0.76 -0.06 -0.17 0.08 -0.36 0.00 0.00 175.35 175.60 3d4r s VAL 93 N 0.43 1.51 -0.56 4.02 1.01 -1.26 -0.13 120.40 125.42 3d4r s VAL 93 Ca -0.04 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3d4r s VAL 93 Cb -0.05 -1.33 0.14 0.00 0.00 0.00 0.00 36.38 35.14 3d4r s VAL 93 CO -0.01 0.44 0.32 -0.31 0.00 0.00 0.00 175.10 175.54 3d4r s TYR 94 N 0.37 3.27 0.39 5.22 1.51 0.15 -4.98 117.35 123.28 3d4r s TYR 94 Ca -0.13 -3.10 -0.04 0.00 -1.01 0.00 0.00 57.07 52.79 3d4r s TYR 94 Cb -0.15 -2.90 -0.04 0.00 -0.11 0.00 0.00 41.96 38.76 3d4r s TYR 94 CO 0.05 -0.75 0.67 -1.25 -1.11 0.00 0.00 175.55 173.16 3d4r s PRO 95 N -0.37 3.58 0.00 -1.71 0.04 -1.26 -1.03 135.00 134.26 3d4r s PRO 95 Ca 0.18 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.28 3d4r s PRO 95 Cb -0.23 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.80 3d4r s PRO 95 CO -0.02 0.00 0.00 -0.89 0.04 0.00 0.00 177.00 176.13 3d4r n ILE 96 N -1.70 0.00 -0.37 0.56 5.41 -0.22 -4.97 119.36 118.06 3d4r n ILE 96 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.79 3d4r n ILE 96 Cb 0.55 -0.24 -0.02 0.00 -0.71 0.00 0.00 39.64 39.22 3d4r n ILE 96 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3d4r n ASP 98 N 0.00 -2.24 -3.41 4.38 -0.08 -1.26 -5.05 116.55 108.89 3d4r n ASP 98 Ca 0.00 0.26 -0.09 0.00 -1.51 0.00 0.00 54.79 53.45 3d4r n ASP 98 Cb 0.00 -1.20 -0.01 0.00 2.34 0.00 0.00 41.12 42.25 3d4r n ASP 98 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 3d4r s PHE 99 N -2.27 0.12 -0.49 -0.67 -0.71 -1.26 -4.95 117.98 107.75 3d4r s PHE 99 Ca 0.00 -0.65 -0.00 0.00 -1.04 0.00 0.00 56.93 55.24 3d4r s PHE 99 Cb 0.00 0.64 -0.00 0.00 -1.21 0.00 0.00 43.02 42.44 3d4r s PHE 99 CO 0.00 -1.35 0.41 0.41 -1.34 0.00 0.00 175.22 173.35 3d4r n GLY 100 N -0.49 0.10 3.26 1.99 0.00 0.96 -4.52 105.19 106.49 3d4r n GLY 100 Ca -0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 3d4r n GLY 100 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3d4r s PHE 101 N -3.15 -0.12 0.26 1.61 -0.71 -1.05 -4.97 117.98 109.85 3d4r s PHE 101 Ca 0.03 -0.03 -0.22 0.00 -1.04 0.00 0.00 56.93 55.67 3d4r s PHE 101 Cb -0.00 0.12 -0.09 0.00 -1.21 0.00 0.00 43.02 41.84 3d4r s PHE 101 CO 0.31 -0.53 0.80 0.50 -1.34 0.00 0.00 175.22 174.95 3d4r s ARG 102 N -2.73 4.37 0.04 1.99 6.06 -1.26 -0.93 118.95 126.49 3d4r s ARG 102 Ca -0.04 1.03 -0.02 0.00 -2.50 0.00 0.00 55.73 54.20 3d4r s ARG 102 Cb -0.00 -2.86 -0.02 0.00 0.06 0.00 0.00 34.95 32.13 3d4r s ARG 102 CO -0.04 0.36 0.01 0.14 -2.50 0.00 0.00 175.30 173.27 3d4r s VAL 103 N -1.55 0.15 0.35 7.11 -7.23 -0.02 -4.93 120.40 114.28 3d4r s VAL 103 Ca 0.45 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 3d4r s VAL 103 Cb -0.17 -0.90 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 3d4r s VAL 103 CO 0.22 -0.70 0.59 -0.76 -0.31 0.00 0.00 175.10 174.14 3d4r s LEU 104 N -2.17 3.96 0.25 1.32 1.43 -1.26 -1.65 118.68 120.56 3d4r s LEU 104 Ca -0.05 0.64 -0.31 0.00 -1.03 0.00 0.00 54.13 53.38 3d4r s LEU 104 Cb -0.01 -3.50 -0.13 0.00 0.03 0.00 0.00 46.19 42.58 3d4r s LEU 104 CO -0.05 -0.31 1.48 1.17 0.23 0.00 0.00 176.35 178.87 3d4r n LYS 105 N -1.55 2.28 0.00 1.70 4.81 -1.23 -1.84 118.16 122.33 3d4r n LYS 105 Ca -0.03 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 3d4r n LYS 105 Cb 0.55 -2.52 0.00 0.00 0.02 0.00 0.00 35.03 33.08 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 2.25 0.92 3.77 3.14 0.00 0.30 -4.92 105.19 110.66 3d4r n GLY 106 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3d4r n GLY 106 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3d4r s TYR 107 N -2.30 2.64 -0.40 1.61 5.04 -0.77 -4.51 117.35 118.66 3d4r s TYR 107 Ca 0.00 1.29 -0.25 0.00 -2.44 0.00 0.00 57.07 55.67 3d4r s TYR 107 Cb 0.00 -3.86 0.02 0.00 0.35 0.00 0.00 41.96 38.47 3d4r s TYR 107 CO 0.00 -2.64 0.91 0.50 -1.34 0.00 0.00 175.55 172.99 3d4r s ARG 108 N -2.25 3.73 -0.05 4.97 3.52 -1.26 -0.20 118.95 127.41 3d4r s ARG 108 Ca 0.57 0.41 0.06 0.00 -0.13 0.00 0.00 55.73 56.64 3d4r s ARG 108 Cb -0.43 -3.85 -0.24 0.00 -1.56 0.00 0.00 34.95 28.88 3d4r s ARG 108 CO 0.56 -1.04 0.64 -0.07 -0.81 0.00 0.00 175.30 174.58 3d4r h LEU 109 N 10.22 0.14 -7.45 -0.88 3.38 -1.23 -3.46 115.31 116.03 3d4r h LEU 109 Ca -0.24 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.38 3d4r h LEU 109 Cb 1.08 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.65 3d4r h LEU 109 CO 0.99 1.26 -0.12 0.00 0.09 0.00 0.00 178.44 180.66 3d4r s ALA 110 N -2.60 -0.85 -0.04 1.53 0.00 -1.02 -1.06 121.76 117.74 3d4r s ALA 110 Ca -0.09 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 51.85 3d4r s ALA 110 Cb 0.08 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 3d4r s ALA 110 CO 0.81 -0.60 -0.23 0.99 0.00 0.00 0.00 175.76 176.73 3d4r s THR 111 N -3.64 2.28 -0.14 0.00 2.01 -0.19 -1.52 115.64 114.43 3d4r s THR 111 Ca 0.02 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 61.01 3d4r s THR 111 Cb 0.02 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 3d4r s THR 111 CO -0.11 0.58 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.50 3d4r s LEU 112 N -0.52 2.59 -0.10 4.42 1.43 -0.27 0.30 118.68 126.53 3d4r s LEU 112 Ca 0.07 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3d4r s LEU 112 Cb -0.11 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3d4r s LEU 112 CO 0.00 0.14 -0.18 -0.70 0.23 0.00 0.00 176.35 175.84 3d4r s GLU 113 N 0.51 3.09 0.69 1.70 2.12 0.81 -1.58 118.70 126.04 3d4r s GLU 113 Ca -0.10 -0.78 -0.10 0.00 0.36 0.00 0.00 54.97 54.36 3d4r s GLU 113 Cb -0.16 -2.44 0.02 0.00 0.26 0.00 0.00 34.13 31.81 3d4r s GLU 113 CO 0.04 0.26 1.05 -1.54 -0.54 0.00 0.00 175.26 174.53 3d4r s SER 114 N 0.18 5.34 0.64 -1.70 1.04 -0.44 -1.46 113.70 117.30 3d4r s SER 114 Ca -0.11 0.93 0.27 0.00 0.48 0.00 0.00 55.95 57.52 3d4r s SER 114 Cb -0.16 -1.74 1.40 0.00 0.10 0.00 0.00 66.02 65.62 3d4r s SER 114 CO 0.06 -1.35 1.80 0.07 0.98 0.00 0.00 173.24 174.80 3d4r h LYS 115 N -0.57 0.00 -0.05 4.02 2.10 -1.94 -0.27 116.57 119.86 3d4r h LYS 115 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3d4r h LYS 115 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3d4r h LYS 115 CO 0.63 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.71 3d4r n LYS 116 N -3.15 2.16 -0.53 0.07 5.02 -1.26 -4.97 118.16 115.50 3d4r n LYS 116 Ca 0.03 -1.69 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 3d4r n LYS 116 Cb 0.58 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3d4r n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4r n GLY 117 N 1.31 0.72 3.85 0.72 0.00 -0.11 -5.07 105.19 106.62 3d4r n GLY 117 Ca 0.16 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 6.77 0.05 1.61 1.01 -1.26 -4.81 116.67 117.95 3d4r s ASP 118 Ca 0.00 1.11 0.04 0.00 0.71 0.00 0.00 52.55 54.41 3d4r s ASP 118 Cb 0.00 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 3d4r s ASP 118 CO 0.00 -0.03 -0.04 -0.76 0.21 0.00 0.00 175.17 174.55 3d4r s LEU 119 N -2.49 3.31 0.08 1.23 1.43 -1.26 -1.32 118.68 119.66 3d4r s LEU 119 Ca 0.45 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3d4r s LEU 119 Cb -0.13 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 3d4r s LEU 119 CO 0.20 0.22 -0.03 -0.13 0.23 0.00 0.00 176.35 176.84 3d4r s ARG 120 N -1.92 0.74 0.05 1.70 0.52 -0.62 -4.99 118.95 114.43 3d4r s ARG 120 Ca 0.22 -1.29 0.06 0.00 -0.52 0.00 0.00 55.73 54.19 3d4r s ARG 120 Cb -0.11 0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 3d4r s ARG 120 CO 0.13 -0.09 -0.16 0.71 0.02 0.00 0.00 175.30 175.91 3d4r s TYR 121 N -3.82 1.41 -0.33 -0.53 2.02 -1.26 -1.12 117.35 113.72 3d4r s TYR 121 Ca 0.11 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.36 3d4r s TYR 121 Cb 0.07 -0.82 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 3d4r s TYR 121 CO -0.07 0.07 0.10 0.08 -1.57 0.00 0.00 175.55 174.17 3d4r s VAL 122 N -0.95 3.83 0.02 0.71 1.01 -0.57 -4.97 120.40 119.48 3d4r s VAL 122 Ca 0.03 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3d4r s VAL 122 Cb -0.09 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3d4r s VAL 122 CO 0.02 -0.11 -0.01 0.20 0.00 0.00 0.00 175.10 175.20 3d4r s ASN 123 N 1.43 5.04 0.05 3.32 0.01 -1.26 -0.64 114.94 122.89 3d4r s ASN 123 Ca -0.01 -0.07 -0.35 0.00 -0.71 0.00 0.00 52.86 51.73 3d4r s ASN 123 Cb -0.19 -1.27 -0.14 0.00 0.41 0.00 0.00 41.25 40.06 3d4r s ASN 123 CO 0.03 0.25 1.61 -0.24 -1.51 0.00 0.00 177.10 177.24 3d4r n SER 124 N 1.19 2.82 0.15 -1.22 2.88 0.72 -4.79 113.62 115.37 3d4r n SER 124 Ca -0.14 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.60 3d4r n SER 124 Cb 0.52 -1.34 0.42 0.00 -0.75 0.00 0.00 64.21 63.06 3d4r n SER 124 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3d4r h PRO 125 N 6.50 0.00 -4.14 -1.46 0.13 -1.91 0.88 132.00 131.99 3d4r h PRO 125 Ca -0.46 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.52 3d4r h PRO 125 Cb 1.28 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 3d4r h PRO 125 CO 0.89 0.00 -0.43 0.14 -0.23 0.00 0.00 178.00 178.37 3d4r s VAL 126 N -3.23 0.04 0.07 1.56 -7.23 -1.26 -4.82 120.40 105.53 3d4r s VAL 126 Ca 0.07 -1.67 -0.24 0.00 -1.81 0.00 0.00 61.98 58.34 3d4r s VAL 126 Cb 0.10 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.83 3d4r s VAL 126 CO 0.55 -0.18 0.72 -0.44 -0.31 0.00 0.00 175.10 175.44 3d4r s SER 127 N -3.05 7.20 0.00 4.85 0.01 -1.26 -3.49 113.70 117.96 3d4r s SER 127 Ca 0.26 1.43 0.00 0.00 1.31 0.00 0.00 55.95 58.95 3d4r s SER 127 Cb 0.04 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.82 3d4r s SER 127 CO 0.06 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.42 3d4r n GLY 128 N 2.14 -0.70 3.12 3.44 0.00 -0.66 -1.97 105.19 110.57 3d4r n GLY 128 Ca -0.05 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.28 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 1.48 -0.15 2.61 2.01 -0.29 -0.84 115.64 116.45 3d4r s THR 129 Ca 0.00 -0.72 -0.29 0.00 0.31 0.00 0.00 61.69 60.99 3d4r s THR 129 Cb 0.00 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 3d4r s THR 129 CO 0.00 0.43 1.18 -0.69 -0.69 0.00 0.00 174.62 174.84 3d4r s VAL 130 N 0.24 4.41 -0.13 3.82 1.01 -0.10 -0.83 120.40 128.83 3d4r s VAL 130 Ca -0.09 1.71 0.03 0.00 0.00 0.00 0.00 61.98 63.63 3d4r s VAL 130 Cb -0.14 -4.10 -0.24 0.00 0.00 0.00 0.00 36.38 31.90 3d4r s VAL 130 CO 0.04 -0.11 0.32 -0.38 0.00 0.00 0.00 175.10 174.97 3d4r n ILE 131 N 5.14 1.65 -2.42 2.22 2.08 0.11 -0.03 119.36 128.11 3d4r n ILE 131 Ca 0.12 -0.70 0.00 0.00 0.56 0.00 0.00 62.75 62.73 3d4r n ILE 131 Cb 0.46 -1.36 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 3d4r n ILE 131 CO 0.00 0.00 0.00 0.33 0.56 0.00 0.00 176.55 177.44 3d4r n PHE 132 N -3.25 -0.21 0.00 1.39 -0.00 -1.13 -3.99 117.46 110.27 3d4r n PHE 132 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.15 3d4r n PHE 132 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.53 3d4r n PHE 132 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 3d4r n ASN 134 N -0.21 0.00 -4.76 -2.13 6.94 -0.73 -1.10 115.26 113.27 3d4r n ASN 134 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 54.58 54.15 3d4r n ASN 134 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 3d4r n ASN 134 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3d4r s GLU 135 N -2.00 4.55 -0.11 -3.83 2.12 -1.26 -0.77 118.70 117.39 3d4r s GLU 135 Ca 0.00 1.91 -0.29 0.00 0.36 0.00 0.00 54.97 56.94 3d4r s GLU 135 Cb 0.00 -3.18 -0.04 0.00 0.26 0.00 0.00 34.13 31.17 3d4r s GLU 135 CO 0.00 0.05 1.52 0.42 -0.54 0.00 0.00 175.26 176.72 3d4r s ILE 136 N -0.87 3.82 0.41 -3.70 1.01 0.07 -4.86 121.20 117.08 3d4r s ILE 136 Ca 0.48 0.98 0.22 0.00 0.00 0.00 0.00 60.65 62.33 3d4r s ILE 136 Cb -0.34 -3.66 0.42 0.00 0.01 0.00 0.00 42.46 38.89 3d4r s ILE 136 CO 0.42 -0.12 1.72 -0.65 0.00 0.00 0.00 174.94 176.31 3d4r h PRO 137 N 9.25 0.28 -0.33 2.79 0.11 -1.93 -0.75 132.00 141.43 3d4r h PRO 137 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3d4r h PRO 137 Cb 1.15 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3d4r h PRO 137 CO 0.97 0.19 0.00 -1.13 -0.21 0.00 0.00 178.00 177.81 3d4r n SER 138 N -4.68 2.99 -3.71 -2.05 3.41 -1.26 -4.79 113.62 103.54 3d4r n SER 138 Ca 0.29 -1.88 -0.29 0.00 -0.26 0.00 0.00 58.87 56.73 3d4r n SER 138 Cb 1.06 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 64.66 3d4r n SER 138 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3d4r s GLU 139 N -1.12 1.35 -0.02 4.33 2.02 -0.29 -5.10 118.70 119.87 3d4r s GLU 139 Ca 0.28 -2.10 -0.39 0.00 0.02 0.00 0.00 54.97 52.78 3d4r s GLU 139 Cb 0.16 -2.36 -0.18 0.00 0.10 0.00 0.00 34.13 31.85 3d4r s GLU 139 CO 0.22 -1.18 1.32 -2.13 0.02 0.00 0.00 175.26 173.51 3d4r n ARG 140 N 3.40 0.70 -2.04 1.61 3.00 -1.26 -1.39 116.66 120.68 3d4r n ARG 140 Ca 0.11 0.25 -0.19 0.00 -0.00 0.00 0.00 57.85 58.02 3d4r n ARG 140 Cb 0.35 -1.84 -0.04 0.00 0.00 0.00 0.00 32.46 30.93 3d4r n ARG 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3d4r n ALA 141 N 2.62 -0.50 -2.51 5.13 0.00 -1.26 -4.99 120.51 119.00 3d4r n ALA 141 Ca 0.21 0.21 -0.32 0.00 0.00 0.00 0.00 53.44 53.54 3d4r n ALA 141 Cb 0.13 -1.94 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 3d4r n ALA 141 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d4r s ASN 142 N -2.27 4.17 0.27 0.00 0.02 -0.48 -4.30 114.94 112.34 3d4r s ASN 142 Ca 0.00 -0.23 0.05 0.00 -1.02 0.00 0.00 52.86 51.66 3d4r s ASN 142 Cb 0.00 -0.87 -0.06 0.00 0.02 0.00 0.00 41.25 40.35 3d4r s ASN 142 CO 0.00 0.31 -0.01 -0.31 0.02 0.00 0.00 177.10 177.11 3d4r s TYR 143 N -0.86 1.79 -0.00 2.20 1.51 -0.74 -0.75 117.35 120.51 3d4r s TYR 143 Ca 0.14 -0.84 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 3d4r s TYR 143 Cb -0.11 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.69 3d4r s TYR 143 CO 0.04 0.09 -0.01 0.54 -1.11 0.00 0.00 175.55 175.10 3d4r s VAL 144 N -3.24 0.10 -0.04 0.71 0.11 0.05 0.23 120.40 118.32 3d4r s VAL 144 Ca 0.30 -0.02 -0.02 0.00 -2.93 0.00 0.00 61.98 59.31 3d4r s VAL 144 Cb 0.06 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.76 3d4r s VAL 144 CO 0.11 0.04 0.10 -0.36 -3.33 0.00 0.00 175.10 171.66 3d4r s PHE 145 N 0.14 3.37 0.28 1.54 0.40 0.13 -1.77 117.98 122.07 3d4r s PHE 145 Ca -0.01 0.29 0.10 0.00 -0.60 0.00 0.00 56.93 56.71 3d4r s PHE 145 Cb -0.03 -1.80 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 3d4r s PHE 145 CO -0.00 0.59 -0.05 0.71 0.70 0.00 0.00 175.22 177.17 3d4r s TYR 146 N -1.14 2.57 -0.28 0.36 2.02 -0.26 0.48 117.35 121.10 3d4r s TYR 146 Ca 0.21 -0.29 -0.02 0.00 -0.37 0.00 0.00 57.07 56.59 3d4r s TYR 146 Cb -0.12 -1.20 0.16 0.00 -0.40 0.00 0.00 41.96 40.40 3d4r s TYR 146 CO 0.11 0.62 0.53 -1.17 -1.57 0.00 0.00 175.55 174.06 3d4r s LEU 148 N -3.64 -1.10 0.49 -1.29 2.96 -0.01 0.06 118.68 116.15 3d4r s LEU 148 Ca 0.32 0.74 -0.23 0.00 -0.22 0.00 0.00 54.13 54.73 3d4r s LEU 148 Cb -0.05 1.82 -0.06 0.00 0.50 0.00 0.00 46.19 48.39 3d4r s LEU 148 CO 0.19 -0.27 1.32 -0.70 -1.32 0.00 0.00 176.35 175.56 3d4r s GLU 149 N 2.75 3.46 0.00 1.98 2.12 -1.26 -1.14 118.70 126.61 3d4r s GLU 149 Ca 0.15 2.14 0.25 0.00 0.36 0.00 0.00 54.97 57.88 3d4r s GLU 149 Cb -0.15 -2.41 1.50 0.00 0.26 0.00 0.00 34.13 33.33 3d4r s GLU 149 CO -0.19 -0.90 1.86 -0.85 -0.54 0.00 0.00 175.26 174.64