#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f5r n GLY 0 N 0.00 1.95 0.00 1.69 0.00 -1.26 -5.20 105.19 102.37 3f5r n GLY 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3f5r n GLY 0 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f5r n SER 2 N 0.00 0.00 -4.46 1.61 3.41 -1.26 -5.19 113.62 107.73 3f5r n SER 2 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 3f5r n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3f5r n SER 2 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3f5r s THR 3 N 0.00 4.20 0.04 6.66 2.01 0.17 -4.91 115.64 123.82 3f5r s THR 3 Ca 0.00 -0.22 0.08 0.00 0.31 0.00 0.00 61.69 61.86 3f5r s THR 3 Cb 0.00 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 3f5r s THR 3 CO 0.00 0.38 -0.22 -1.81 -0.69 0.00 0.00 174.62 172.29 3f5r s ASP 4 N 1.27 3.52 -0.04 3.53 1.01 -1.26 -0.51 116.67 124.20 3f5r s ASP 4 Ca 0.04 -0.50 0.01 0.00 0.71 0.00 0.00 52.55 52.82 3f5r s ASP 4 Cb -0.15 -0.47 0.02 0.00 1.01 0.00 0.00 42.92 43.34 3f5r s ASP 4 CO 0.02 0.26 -0.05 -0.36 0.21 0.00 0.00 175.17 175.25 3f5r s PHE 5 N -0.87 0.75 0.32 4.23 0.08 0.41 -4.99 117.98 117.90 3f5r s PHE 5 Ca 0.13 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.02 3f5r s PHE 5 Cb -0.10 -0.63 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 3f5r s PHE 5 CO 0.04 -0.16 0.47 -0.51 -0.10 0.00 0.00 175.22 174.96 3f5r s ASP 6 N 0.70 6.13 -1.29 1.36 1.01 -1.26 -0.35 116.67 122.97 3f5r s ASP 6 Ca -0.10 0.06 -0.04 0.00 0.71 0.00 0.00 52.55 53.18 3f5r s ASP 6 Cb -0.13 -1.61 0.01 0.00 1.01 0.00 0.00 42.92 42.20 3f5r s ASP 6 CO 0.00 -0.32 1.01 0.54 0.21 0.00 0.00 175.17 176.62 3f5r n ARG 7 N -1.63 -6.68 -4.34 8.23 5.12 -1.04 -4.94 116.66 111.38 3f5r n ARG 7 Ca -0.04 0.79 -0.33 0.00 -1.93 0.00 0.00 57.85 56.34 3f5r n ARG 7 Cb 0.57 -5.74 -0.09 0.00 -1.16 0.00 0.00 32.46 26.04 3f5r n ARG 7 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3f5r s ILE 8 N -3.39 4.11 -0.08 0.55 -1.09 -0.46 -4.70 121.20 116.14 3f5r s ILE 8 Ca 0.23 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.11 3f5r s ILE 8 Cb -0.10 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 3f5r s ILE 8 CO 0.75 0.43 -0.07 -0.31 -1.23 0.00 0.00 174.94 174.51 3f5r s TYR 9 N -1.03 2.93 -0.27 3.97 2.02 -0.03 -0.20 117.35 124.76 3f5r s TYR 9 Ca 0.18 -0.07 -0.07 0.00 -0.37 0.00 0.00 57.07 56.73 3f5r s TYR 9 Cb -0.11 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.68 3f5r s TYR 9 CO 0.08 0.24 0.08 -1.17 -1.57 0.00 0.00 175.55 173.21 3f5r s LEU 10 N -0.57 3.61 -1.46 -1.29 2.96 -1.26 -1.09 118.68 119.58 3f5r s LEU 10 Ca 0.09 -0.38 -0.07 0.00 -0.22 0.00 0.00 54.13 53.55 3f5r s LEU 10 Cb -0.12 -1.92 0.05 0.00 0.50 0.00 0.00 46.19 44.70 3f5r s LEU 10 CO 0.02 -0.09 0.70 0.59 -1.32 0.00 0.00 176.35 176.25 3f5r n ASN 11 N 4.92 -2.21 -2.74 3.68 3.02 0.51 -1.30 115.26 121.13 3f5r n ASN 11 Ca -0.16 -0.90 -0.22 0.00 -0.03 0.00 0.00 54.58 53.28 3f5r n ASN 11 Cb 0.50 -3.49 0.02 0.00 -0.61 0.00 0.00 39.78 36.20 3f5r n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f5r n GLN 12 N -4.44 -3.68 -1.61 3.52 1.13 -1.26 -4.94 117.38 106.09 3f5r n GLN 12 Ca -0.15 0.94 -0.40 0.00 -1.94 0.00 0.00 57.00 55.45 3f5r n GLN 12 Cb 0.61 -5.71 0.03 0.00 0.11 0.00 0.00 30.24 25.28 3f5r n GLN 12 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3f5r n SER 13 N -2.27 1.10 -0.08 1.08 3.41 -0.42 -4.94 113.62 111.50 3f5r n SER 13 Ca -0.16 0.96 -0.12 0.00 -0.26 0.00 0.00 58.87 59.28 3f5r n SER 13 Cb 0.64 -1.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.18 3f5r n SER 13 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3f5r h LYS 14 N 1.21 0.49 -6.99 4.33 1.79 -1.92 -3.44 116.57 112.04 3f5r h LYS 14 Ca -0.46 -0.21 -0.50 0.00 -2.18 0.00 0.00 60.65 57.30 3f5r h LYS 14 Cb 1.34 -0.02 0.05 0.00 -1.58 0.00 0.00 32.23 32.03 3f5r h LYS 14 CO 0.55 0.75 0.46 -0.06 -1.08 0.00 0.00 179.45 180.07 3f5r s PHE 15 N -4.61 3.01 0.47 -1.35 0.08 -1.26 -5.08 117.98 109.24 3f5r s PHE 15 Ca -0.13 1.57 0.03 0.00 0.12 0.00 0.00 56.93 58.51 3f5r s PHE 15 Cb 0.07 -3.30 0.01 0.00 -0.57 0.00 0.00 43.02 39.23 3f5r s PHE 15 CO 0.77 -1.22 0.67 -1.54 -0.10 0.00 0.00 175.22 173.80 3f5r s SER 16 N -1.41 5.60 0.29 1.36 1.04 -1.26 -4.67 113.70 114.65 3f5r s SER 16 Ca 0.61 0.00 -0.07 0.00 0.48 0.00 0.00 55.95 56.98 3f5r s SER 16 Cb -0.27 -1.11 0.03 0.00 0.10 0.00 0.00 66.02 64.78 3f5r s SER 16 CO 0.33 -0.85 0.51 0.61 0.98 0.00 0.00 173.24 174.82 3f5r n GLY 17 N -2.09 1.69 3.70 7.32 0.00 0.72 -1.58 105.19 114.96 3f5r n GLY 17 Ca 0.05 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 3f5r n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3f5r s ARG 18 N -2.31 4.30 -0.19 1.61 3.52 -0.06 -1.36 118.95 124.46 3f5r s ARG 18 Ca 0.17 0.47 -0.09 0.00 -0.13 0.00 0.00 55.73 56.14 3f5r s ARG 18 Cb -0.02 -3.47 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 3f5r s ARG 18 CO 0.12 0.06 0.12 0.12 -0.81 0.00 0.00 175.30 174.92 3f5r s PHE 19 N 0.93 3.40 -0.06 5.12 5.36 0.53 -1.68 117.98 131.58 3f5r s PHE 19 Ca 0.26 0.31 0.03 0.00 -0.96 0.00 0.00 56.93 56.57 3f5r s PHE 19 Cb -0.15 -2.13 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 3f5r s PHE 19 CO 0.10 0.30 -0.16 1.03 -1.46 0.00 0.00 175.22 175.04 3f5r s ARG 20 N 0.26 1.92 -0.30 10.12 0.52 0.17 -0.45 118.95 131.19 3f5r s ARG 20 Ca 0.08 -0.56 -0.08 0.00 -0.52 0.00 0.00 55.73 54.65 3f5r s ARG 20 Cb -0.11 -1.59 -0.00 0.00 0.52 0.00 0.00 34.95 33.77 3f5r s ARG 20 CO -0.01 0.14 0.11 0.42 0.02 0.00 0.00 175.30 175.98 3f5r s ILE 21 N 0.34 4.30 0.32 1.52 1.01 0.34 -0.63 121.20 128.39 3f5r s ILE 21 Ca -0.10 -0.50 0.09 0.00 0.00 0.00 0.00 60.65 60.13 3f5r s ILE 21 Cb -0.14 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 3f5r s ILE 21 CO 0.04 0.11 -0.09 0.00 0.00 0.00 0.00 174.94 175.00 3f5r s ALA 22 N 1.57 2.74 0.50 9.38 0.00 -0.38 -0.65 121.76 134.92 3f5r s ALA 22 Ca 0.04 -2.02 0.16 0.00 0.00 0.00 0.00 51.96 50.15 3f5r s ALA 22 Cb -0.17 0.02 1.21 0.00 0.00 0.00 0.00 23.12 24.18 3f5r s ALA 22 CO 0.04 0.04 2.09 -0.44 0.00 0.00 0.00 175.76 177.50 3f5r h ASP 23 N 2.12 0.10 1.09 0.00 3.32 -1.98 -1.81 116.42 119.26 3f5r h ASP 23 Ca -0.41 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3f5r h ASP 23 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3f5r h ASP 23 CO 0.69 0.07 0.00 -1.54 -1.72 0.00 0.00 179.24 176.74 3f5r n SER 24 N -4.49 0.49 0.00 6.45 3.41 -1.26 -4.81 113.62 113.41 3f5r n SER 24 Ca 0.02 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3f5r n SER 24 Cb 0.21 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 3f5r n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f5r n GLY 25 N 0.94 0.92 3.66 5.00 0.00 -0.68 -0.95 105.19 114.07 3f5r n GLY 25 Ca 0.05 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 3f5r n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f5r s LEU 26 N 0.00 3.36 0.06 0.99 1.43 0.21 -1.25 118.68 123.49 3f5r s LEU 26 Ca 0.00 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3f5r s LEU 26 Cb 0.00 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3f5r s LEU 26 CO 0.00 0.17 -0.06 -0.83 0.23 0.00 0.00 176.35 175.86 3f5r s GLY 27 N -2.33 0.58 -0.08 -3.19 0.00 0.20 -0.36 107.32 102.14 3f5r s GLY 27 Ca 0.25 -1.04 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 3f5r s GLY 27 CO 0.17 -1.12 0.19 0.86 0.00 0.00 0.00 173.10 173.20 3f5r s TRP 28 N -2.61 -0.22 -0.03 1.90 -0.00 -0.07 -0.66 118.94 117.25 3f5r s TRP 28 Ca 0.00 0.55 -0.01 0.00 -0.00 0.00 0.00 56.10 56.65 3f5r s TRP 28 Cb -0.02 0.04 0.02 0.00 -0.00 0.00 0.00 33.47 33.52 3f5r s TRP 28 CO -0.03 -0.14 0.05 0.21 -0.00 0.00 0.00 176.95 177.05 3f5r s LYS 29 N 0.49 0.00 0.14 5.86 2.20 -0.68 -0.23 119.74 127.54 3f5r s LYS 29 Ca -0.03 0.19 -0.34 0.00 -0.36 0.00 0.00 55.97 55.42 3f5r s LYS 29 Cb -0.05 -0.17 -0.16 0.00 -1.51 0.00 0.00 37.83 35.94 3f5r s LYS 29 CO -0.02 -0.13 1.24 -0.89 -0.36 0.00 0.00 175.35 175.19 3f5r n ILE 30 N 3.91 0.56 -4.10 5.43 5.41 -1.26 -0.88 119.36 128.44 3f5r n ILE 30 Ca -0.24 -0.14 -0.26 0.00 1.00 0.00 0.00 62.75 63.11 3f5r n ILE 30 Cb 0.53 -0.88 -0.17 0.00 -0.71 0.00 0.00 39.64 38.41 3f5r n ILE 30 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3f5r s SER 31 N 0.20 2.04 0.00 4.38 0.15 -0.62 -4.80 113.70 115.06 3f5r s SER 31 Ca 0.77 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.12 3f5r s SER 31 Cb -0.87 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.60 3f5r s SER 31 CO 0.50 -0.08 0.00 1.07 1.20 0.00 0.00 173.24 175.93 3f5r n THR 32 N 4.61 0.00 -3.09 6.45 5.66 -1.26 -4.58 114.28 122.07 3f5r n THR 32 Ca -0.16 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.66 3f5r n THR 32 Cb 0.50 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.31 3f5r n THR 32 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3f5r s SER 33 N 1.32 5.39 0.00 1.09 1.04 -1.26 -4.62 113.70 116.65 3f5r s SER 33 Ca 0.00 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.81 3f5r s SER 33 Cb 0.00 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3f5r s SER 33 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 3f5r n GLY 34 N -1.96 1.44 7.00 7.32 0.00 -1.26 -4.40 105.19 113.33 3f5r n GLY 34 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3f5r n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f5r n GLY 35 N -2.00 2.23 0.39 -0.02 0.00 -1.26 -3.01 105.19 101.51 3f5r n GLY 35 Ca 0.00 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.30 3f5r n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3f5r n SER 36 N 10.72 1.17 0.00 1.61 7.64 -1.26 -1.61 113.62 131.89 3f5r n SER 36 Ca 0.00 -1.65 0.00 0.00 1.01 0.00 0.00 58.87 58.23 3f5r n SER 36 Cb 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3f5r n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f5r n ALA 37 N 0.00 0.00 -0.08 -0.43 0.00 -1.17 -4.28 120.51 114.55 3f5r n ALA 37 Ca 0.15 -0.02 -0.12 0.00 0.00 0.00 0.00 53.44 53.45 3f5r n ALA 37 Cb 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.65 3f5r n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3f5r h ALA 38 N -2.00 0.33 0.00 0.00 0.00 -1.76 -2.97 119.26 112.87 3f5r h ALA 38 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3f5r h ALA 38 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3f5r h ALA 38 CO 0.00 0.14 -0.13 -0.91 0.00 0.00 0.00 179.25 178.35 3f5r h ASN 39 N 0.20 0.00 0.84 0.00 2.35 -1.51 -3.22 115.58 114.24 3f5r h ASN 39 Ca 0.06 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.57 3f5r h ASN 39 Cb 0.55 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.90 3f5r h ASN 39 CO 0.03 0.13 -1.15 -0.61 -1.65 0.00 0.00 177.43 174.18 3f5r h GLN 40 N 0.00 0.07 0.00 0.81 -0.00 -1.63 -3.15 115.11 111.21 3f5r h GLN 40 Ca -0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 3f5r h GLN 40 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.83 3f5r h GLN 40 CO 0.02 1.00 0.00 0.00 0.00 0.00 0.00 178.83 179.85 3f5r h ALA 41 N 0.88 1.00 -2.82 3.38 0.00 -1.55 -3.46 119.26 116.70 3f5r h ALA 41 Ca -0.08 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.32 3f5r h ALA 41 Cb 1.85 0.00 0.06 0.00 0.00 0.00 0.00 17.79 19.70 3f5r h ALA 41 CO 0.14 0.00 0.56 1.03 0.00 0.00 0.00 179.25 180.99 3f5r s ARG 42 N -3.28 4.17 0.05 0.00 1.81 -1.19 -5.03 118.95 115.47 3f5r s ARG 42 Ca 0.07 2.02 0.04 0.00 -1.72 0.00 0.00 55.73 56.14 3f5r s ARG 42 Cb 0.09 -2.85 -0.04 0.00 -0.45 0.00 0.00 34.95 31.70 3f5r s ARG 42 CO 0.59 -0.28 -0.06 0.15 -0.68 0.00 0.00 175.30 175.02 3f5r s LYS 43 N -2.06 2.45 0.39 3.54 -0.14 -1.26 -5.04 119.74 117.61 3f5r s LYS 43 Ca 0.54 -0.82 -0.15 0.00 -1.36 0.00 0.00 55.97 54.17 3f5r s LYS 43 Cb -0.35 -2.46 -0.09 0.00 -1.68 0.00 0.00 37.83 33.25 3f5r s LYS 43 CO 0.45 0.57 0.82 -1.25 -0.76 0.00 0.00 175.35 175.18 3f5r s PRO 44 N -1.80 3.99 -0.04 -1.68 0.04 -1.26 -4.68 135.00 129.57 3f5r s PRO 44 Ca 0.20 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.69 3f5r s PRO 44 Cb -0.11 -2.33 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3f5r s PRO 44 CO 0.11 0.02 1.00 0.12 0.04 0.00 0.00 177.00 178.29 3f5r s PHE 45 N -2.20 3.59 -0.10 0.56 5.36 0.69 -4.94 117.98 120.94 3f5r s PHE 45 Ca 0.56 1.64 0.01 0.00 -0.96 0.00 0.00 56.93 58.18 3f5r s PHE 45 Cb -0.10 -3.16 0.02 0.00 -0.34 0.00 0.00 43.02 39.44 3f5r s PHE 45 CO 0.22 -0.14 -0.13 -0.51 -1.46 0.00 0.00 175.22 173.20 3f5r s LEU 46 N 1.39 1.60 -0.28 6.12 1.43 -1.26 -0.90 118.68 126.78 3f5r s LEU 46 Ca 0.51 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3f5r s LEU 46 Cb -0.20 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.09 3f5r s LEU 46 CO 0.24 -0.01 -0.06 -0.22 0.23 0.00 0.00 176.35 176.53 3f5r s LEU 47 N 1.10 3.74 0.56 1.79 2.96 0.52 -4.99 118.68 124.35 3f5r s LEU 47 Ca -0.05 -1.46 -0.21 0.00 -0.22 0.00 0.00 54.13 52.18 3f5r s LEU 47 Cb -0.14 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3f5r s LEU 47 CO -0.02 -0.24 1.32 -2.84 -1.32 0.00 0.00 176.35 173.25 3f5r s PRO 48 N 1.12 3.08 0.50 0.98 0.02 -1.26 -0.62 135.00 138.82 3f5r s PRO 48 Ca -0.06 2.13 0.16 0.00 0.02 0.00 0.00 61.00 63.26 3f5r s PRO 48 Cb -0.20 -2.17 1.21 0.00 0.02 0.00 0.00 34.50 33.36 3f5r s PRO 48 CO -0.04 -1.20 2.10 0.00 -0.33 0.00 0.00 177.00 177.52 3f5r h ALA 49 N 1.31 2.05 0.00 -1.55 0.00 -1.36 -0.32 119.26 119.39 3f5r h ALA 49 Ca -0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3f5r h ALA 49 Cb 1.30 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3f5r h ALA 49 CO 0.57 -0.09 -0.01 0.00 0.00 0.00 0.00 179.25 179.72 3f5r h THR 50 N 0.11 0.23 0.00 0.00 1.03 -1.89 -1.93 112.91 110.46 3f5r h THR 50 Ca 0.09 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3f5r h THR 50 Cb 0.21 1.07 0.00 0.00 -1.07 0.00 0.00 68.15 68.36 3f5r h THR 50 CO -0.01 0.01 0.00 -0.33 -0.01 0.00 0.00 175.52 175.18 3f5r h GLU 51 N 0.00 0.00 -6.65 0.00 4.39 -1.40 -3.47 114.58 107.46 3f5r h GLU 51 Ca -0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 3f5r h GLU 51 Cb 0.07 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3f5r h GLU 51 CO 0.00 0.00 0.57 -0.51 -1.16 0.00 0.00 179.01 177.91 3f5r s LEU 52 N -5.89 4.44 0.00 1.33 1.43 -0.73 -0.91 118.68 118.35 3f5r s LEU 52 Ca 0.07 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 3f5r s LEU 52 Cb 0.06 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3f5r s LEU 52 CO 0.65 -0.39 0.00 -0.24 0.23 0.00 0.00 176.35 176.60 3f5r n SER 53 N 2.64 0.00 -4.35 2.29 2.88 -0.51 -4.84 113.62 111.72 3f5r n SER 53 Ca 0.05 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.39 3f5r n SER 53 Cb 0.45 -0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 63.70 3f5r n SER 53 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3f5r s THR 54 N -0.75 1.82 -0.06 2.46 -4.23 -1.19 -5.00 115.64 108.68 3f5r s THR 54 Ca 0.00 -2.18 -0.03 0.00 -1.18 0.00 0.00 61.69 58.31 3f5r s THR 54 Cb 0.00 -2.03 0.04 0.00 1.34 0.00 0.00 72.50 71.85 3f5r s THR 54 CO 0.00 -0.53 0.13 -0.69 -0.54 0.00 0.00 174.62 172.99 3f5r s VAL 55 N -2.76 -0.05 0.08 2.29 1.01 -1.26 -1.21 120.40 118.50 3f5r s VAL 55 Ca 0.22 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.45 3f5r s VAL 55 Cb -0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3f5r s VAL 55 CO 0.08 0.07 -0.22 0.00 0.00 0.00 0.00 175.10 175.03 3f5r s GLN 56 N 1.07 1.32 -0.27 2.72 -2.07 -0.55 -0.75 119.66 121.13 3f5r s GLN 56 Ca -0.08 -1.08 -0.14 0.00 -1.82 0.00 0.00 55.36 52.23 3f5r s GLN 56 Cb -0.11 -1.54 -0.04 0.00 -1.09 0.00 0.00 33.01 30.24 3f5r s GLN 56 CO -0.05 0.38 0.33 -0.46 -1.32 0.00 0.00 175.29 174.16 3f5r s TRP 57 N -0.97 3.25 0.00 9.60 -0.11 0.79 -1.10 118.94 130.40 3f5r s TRP 57 Ca 0.08 0.35 0.00 0.00 1.22 0.00 0.00 56.10 57.75 3f5r s TRP 57 Cb -0.09 -2.52 0.00 0.00 -1.50 0.00 0.00 33.47 29.36 3f5r s TRP 57 CO 0.03 -0.20 0.00 -1.13 -4.62 0.00 0.00 176.95 171.04 3f5r n SER 58 N 5.20 0.00 -4.59 5.86 3.41 -0.36 -0.66 113.62 122.48 3f5r n SER 58 Ca -0.10 -0.24 -0.39 0.00 -0.26 0.00 0.00 58.87 57.88 3f5r n SER 58 Cb 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 3f5r n SER 58 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3f5r s ARG 59 N 0.27 3.90 0.59 4.33 6.06 -1.26 -0.77 118.95 132.07 3f5r s ARG 59 Ca 0.00 -0.11 -0.06 0.00 -2.50 0.00 0.00 55.73 53.06 3f5r s ARG 59 Cb 0.00 -3.69 0.13 0.00 0.06 0.00 0.00 34.95 31.45 3f5r s ARG 59 CO 0.00 -0.33 0.81 0.41 -2.50 0.00 0.00 175.30 173.69 3f5r n GLY 60 N 4.80 -0.45 0.17 8.12 0.00 0.06 -4.73 105.19 113.15 3f5r n GLY 60 Ca -0.09 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 3f5r n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f5r s ARG 62 N -4.30 2.90 5.00 0.00 0.52 -1.26 -5.05 118.95 116.76 3f5r s ARG 62 Ca -0.13 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 3f5r s ARG 62 Cb 0.07 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.21 3f5r s ARG 62 CO 0.79 -0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.02 3f5r n GLY 63 N 4.81 1.97 3.93 -3.53 0.00 -1.26 -0.75 105.19 110.35 3f5r n GLY 63 Ca -0.14 -0.52 -0.26 0.00 0.00 0.00 0.00 46.02 45.10 3f5r n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f5r s TYR 64 N 0.00 3.49 0.30 1.61 2.02 -0.57 -0.76 117.35 123.43 3f5r s TYR 64 Ca 0.00 0.43 0.05 0.00 -0.37 0.00 0.00 57.07 57.17 3f5r s TYR 64 Cb 0.00 -1.94 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 3f5r s TYR 64 CO 0.00 0.20 0.01 0.16 -1.57 0.00 0.00 175.55 174.35 3f5r s ASP 65 N -3.60 2.45 -0.15 2.29 1.47 0.05 -2.05 116.67 117.14 3f5r s ASP 65 Ca 0.41 -1.29 -0.03 0.00 1.18 0.00 0.00 52.55 52.81 3f5r s ASP 65 Cb -0.10 -0.10 -0.03 0.00 -0.34 0.00 0.00 42.92 42.35 3f5r s ASP 65 CO 0.33 -0.51 -0.05 -0.76 0.68 0.00 0.00 175.17 174.86 3f5r s LEU 66 N -3.45 3.17 -0.25 2.11 1.43 0.43 -1.22 118.68 120.90 3f5r s LEU 66 Ca 0.33 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.22 3f5r s LEU 66 Cb 0.07 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3f5r s LEU 66 CO 0.13 0.18 0.03 -0.54 0.23 0.00 0.00 176.35 176.38 3f5r s LYS 67 N 0.30 3.39 -0.23 1.70 1.02 -0.26 -1.34 119.74 124.33 3f5r s LYS 67 Ca -0.05 -0.64 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 3f5r s LYS 67 Cb -0.14 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 33.96 3f5r s LYS 67 CO 0.03 -0.26 -0.07 0.42 -0.92 0.00 0.00 175.35 174.54 3f5r s ILE 68 N 1.53 2.94 -0.03 2.17 1.01 0.53 -1.48 121.20 127.87 3f5r s ILE 68 Ca 0.05 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.70 3f5r s ILE 68 Cb -0.15 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3f5r s ILE 68 CO 0.01 0.34 0.54 0.21 0.00 0.00 0.00 174.94 176.03 3f5r s ASN 69 N 1.38 6.88 0.33 3.58 3.04 -0.35 -0.83 114.94 128.97 3f5r s ASN 69 Ca 0.03 1.04 0.09 0.00 0.04 0.00 0.00 52.86 54.07 3f5r s ASN 69 Cb -0.15 -2.33 -0.05 0.00 -1.54 0.00 0.00 41.25 37.18 3f5r s ASN 69 CO -0.05 0.11 -0.03 0.42 -3.04 0.00 0.00 177.10 174.51 3f5r s THR 70 N -0.12 2.64 0.22 -5.21 -4.23 -0.63 -1.42 115.64 106.89 3f5r s THR 70 Ca 0.29 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.76 3f5r s THR 70 Cb -0.17 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 3f5r s THR 70 CO 0.15 -0.24 1.55 0.11 -0.54 0.00 0.00 174.62 175.65 3f5r h LYS 71 N 1.89 0.40 0.00 3.99 1.57 -1.33 -3.39 116.57 119.71 3f5r h LYS 71 Ca -0.43 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 3f5r h LYS 71 Cb 1.25 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3f5r h LYS 71 CO 0.66 0.85 0.00 0.09 -0.57 0.00 0.00 179.45 180.47 3f5r n ASN 72 N -3.94 0.37 -0.27 0.86 3.02 -1.26 -4.83 115.26 109.20 3f5r n ASN 72 Ca -0.03 -1.00 0.06 0.00 -0.03 0.00 0.00 54.58 53.59 3f5r n ASN 72 Cb 0.59 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.85 3f5r n ASN 72 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3f5r n GLN 73 N -0.00 0.76 0.00 3.52 6.02 -1.26 -5.12 117.38 121.30 3f5r n GLN 73 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 3f5r n GLN 73 Cb 0.16 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.33 3f5r n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3f5r n GLY 74 N -0.84 -0.47 3.68 1.08 0.00 -1.26 -4.68 105.19 102.70 3f5r n GLY 74 Ca 0.10 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 3f5r n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f5r s VAL 75 N 0.00 5.36 -0.09 1.61 1.01 -1.26 -1.60 120.40 125.43 3f5r s VAL 75 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 3f5r s VAL 75 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 3f5r s VAL 75 CO 0.00 0.36 0.08 -0.63 0.00 0.00 0.00 175.10 174.91 3f5r s ILE 76 N 0.89 4.96 -0.12 2.22 1.01 -0.01 -4.90 121.20 125.25 3f5r s ILE 76 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3f5r s ILE 76 Cb -0.13 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 3f5r s ILE 76 CO 0.03 0.58 -0.12 -1.58 0.00 0.00 0.00 174.94 173.85 3f5r s GLN 77 N -1.05 3.24 -0.13 2.79 0.74 -1.26 -0.35 119.66 123.64 3f5r s GLN 77 Ca 0.15 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.92 3f5r s GLN 77 Cb -0.12 -2.61 -0.00 0.00 1.10 0.00 0.00 33.01 31.38 3f5r s GLN 77 CO 0.05 0.30 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.39 3f5r s LEU 78 N 0.12 2.35 0.37 3.68 1.43 -0.45 -0.36 118.68 125.81 3f5r s LEU 78 Ca -0.06 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.62 3f5r s LEU 78 Cb -0.15 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3f5r s LEU 78 CO 0.04 0.13 0.22 1.51 0.23 0.00 0.00 176.35 178.49 3f5r s ASP 79 N 0.53 2.21 0.00 2.29 -4.77 -0.25 -0.43 116.67 116.25 3f5r s ASP 79 Ca -0.12 -1.75 0.00 0.00 -3.30 0.00 0.00 52.55 47.38 3f5r s ASP 79 Cb -0.16 0.58 0.00 0.00 -1.09 0.00 0.00 42.92 42.24 3f5r s ASP 79 CO 0.04 -1.03 0.00 0.61 0.70 0.00 0.00 175.17 175.49 3f5r n GLY 80 N -0.77 0.94 3.83 2.12 0.00 0.07 -0.85 105.19 110.54 3f5r n GLY 80 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3f5r n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f5r s PHE 81 N -2.00 3.33 0.31 1.61 0.08 -0.87 -4.85 117.98 115.59 3f5r s PHE 81 Ca 0.00 1.53 0.05 0.00 0.12 0.00 0.00 56.93 58.64 3f5r s PHE 81 Cb 0.00 -2.85 -0.02 0.00 -0.57 0.00 0.00 43.02 39.58 3f5r s PHE 81 CO 0.00 -0.37 0.45 -1.54 -0.10 0.00 0.00 175.22 173.66 3f5r s SER 82 N -2.65 6.10 0.39 1.36 1.04 -1.26 -1.52 113.70 117.16 3f5r s SER 82 Ca 0.61 -0.05 0.06 0.00 0.48 0.00 0.00 55.95 57.05 3f5r s SER 82 Cb -0.11 -1.49 0.80 0.00 0.10 0.00 0.00 66.02 65.32 3f5r s SER 82 CO 0.24 -0.32 2.03 -0.61 0.98 0.00 0.00 173.24 175.56 3f5r h GLN 83 N 0.96 0.63 -0.61 4.02 4.15 -1.98 -0.04 115.11 122.24 3f5r h GLN 83 Ca -0.48 -0.04 0.18 0.00 0.77 0.00 0.00 58.65 59.08 3f5r h GLN 83 Cb 1.25 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 3f5r h GLN 83 CO 0.56 0.42 0.44 -0.44 -1.93 0.00 0.00 178.83 177.88 3f5r h ASP 84 N 0.65 0.00 1.08 -0.69 5.19 -2.04 -2.72 116.42 117.89 3f5r h ASP 84 Ca 0.21 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3f5r h ASP 84 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3f5r h ASP 84 CO -0.05 0.00 0.00 0.44 -3.12 0.00 0.00 179.24 176.51 3f5r h ASP 85 N 0.00 0.00 -0.05 6.45 3.32 -1.39 -3.37 116.42 121.38 3f5r h ASP 85 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 3f5r h ASP 85 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 3f5r h ASP 85 CO -0.00 0.00 0.03 0.22 -1.72 0.00 0.00 179.24 177.76 3f5r h TYR 86 N 0.00 0.07 -0.89 4.55 3.20 -1.63 -2.12 116.97 120.16 3f5r h TYR 86 Ca 0.00 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.91 3f5r h TYR 86 Cb 0.54 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.73 3f5r h TYR 86 CO 0.00 0.14 0.56 -0.91 -1.64 0.00 0.00 178.16 176.32 3f5r h ASN 87 N -0.02 0.92 -0.15 -2.11 2.35 -1.81 0.14 115.58 114.90 3f5r h ASN 87 Ca 0.02 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3f5r h ASN 87 Cb 0.09 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3f5r h ASN 87 CO -0.00 0.61 0.05 0.25 -1.65 0.00 0.00 177.43 176.69 3f5r h LEU 88 N 1.07 0.22 -0.43 1.61 5.85 -1.79 -1.57 115.31 120.26 3f5r h LEU 88 Ca 0.37 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3f5r h LEU 88 Cb 0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3f5r h LEU 88 CO -0.14 0.36 0.25 0.40 -0.34 0.00 0.00 178.44 178.97 3f5r h ILE 89 N 0.07 1.04 -0.48 4.05 2.04 -0.70 -0.59 117.51 122.93 3f5r h ILE 89 Ca 0.05 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.76 3f5r h ILE 89 Cb 0.22 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 3f5r h ILE 89 CO -0.00 0.09 0.28 0.50 0.00 0.00 0.00 178.15 179.02 3f5r h LYS 90 N 0.51 0.55 -0.06 2.37 3.64 -0.58 -0.84 116.57 122.16 3f5r h LYS 90 Ca 0.17 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3f5r h LYS 90 Cb 0.02 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3f5r h LYS 90 CO -0.09 0.36 0.02 -0.97 -2.27 0.00 0.00 179.45 176.51 3f5r h ASN 91 N 0.57 0.08 -0.31 4.20 -0.73 -0.99 -1.91 115.58 116.48 3f5r h ASN 91 Ca 0.19 -0.16 0.01 0.00 1.87 0.00 0.00 56.30 58.21 3f5r h ASN 91 Cb 0.02 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3f5r h ASN 91 CO -0.09 0.22 0.18 0.44 -0.37 0.00 0.00 177.43 177.81 3f5r h ASP 92 N -0.07 0.30 -0.36 1.15 5.19 -0.95 0.38 116.42 122.06 3f5r h ASP 92 Ca 0.02 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 3f5r h ASP 92 Cb 0.17 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 3f5r h ASP 92 CO -0.00 0.22 -0.00 -0.26 -3.12 0.00 0.00 179.24 176.08 3f5r h PHE 93 N 0.38 0.78 0.22 4.55 0.04 -1.08 0.12 116.94 121.96 3f5r h PHE 93 Ca 0.12 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3f5r h PHE 93 Cb -0.01 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 37.93 3f5r h PHE 93 CO -0.07 0.73 -0.11 1.25 -0.60 0.00 0.00 178.31 179.51 3f5r h HIS 94 N 0.69 -0.28 -0.18 -0.55 2.76 -0.96 -1.76 115.15 114.88 3f5r h HIS 94 Ca 0.14 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.17 3f5r h HIS 94 Cb 0.43 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.48 3f5r h HIS 94 CO 0.02 -0.09 -0.39 -0.09 -1.30 0.00 0.00 177.93 176.09 3f5r h ARG 95 N -0.42 0.58 0.07 5.26 9.65 -0.73 -0.13 114.38 128.66 3f5r h ARG 95 Ca -0.03 -0.38 -0.24 0.00 -1.10 0.00 0.00 59.98 58.22 3f5r h ARG 95 Cb 0.32 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3f5r h ARG 95 CO 0.05 1.00 -1.10 0.00 2.80 0.00 0.00 179.97 182.72 3f5r h ARG 96 N 0.24 0.25 0.00 0.20 3.08 -1.09 -3.39 114.38 113.67 3f5r h ARG 96 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.69 3f5r h ARG 96 Cb 0.99 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3f5r h ARG 96 CO 0.09 1.13 0.00 1.19 -1.07 0.00 0.00 179.97 181.30 3f5r n PHE 97 N -3.57 0.00 -4.10 3.04 3.72 -0.90 -4.97 117.46 110.69 3f5r n PHE 97 Ca -0.06 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.01 3f5r n PHE 97 Cb 0.94 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.47 3f5r n PHE 97 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3f5r n ASN 98 N -0.18 -3.16 -4.45 4.37 5.15 -0.06 -4.98 115.26 111.94 3f5r n ASN 98 Ca 0.00 -0.95 -0.34 0.00 -0.60 0.00 0.00 54.58 52.69 3f5r n ASN 98 Cb 0.06 -3.11 -0.13 0.00 -0.53 0.00 0.00 39.78 36.07 3f5r n ASN 98 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3f5r s ILE 99 N -3.41 3.88 -0.32 -1.44 1.01 -0.71 -4.95 121.20 115.25 3f5r s ILE 99 Ca 0.59 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.68 3f5r s ILE 99 Cb -0.31 -2.73 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 3f5r s ILE 99 CO 0.90 0.45 0.66 -1.58 0.00 0.00 0.00 174.94 175.37 3f5r s GLN 100 N 0.79 3.84 0.03 2.79 0.74 -1.26 -2.37 119.66 124.21 3f5r s GLN 100 Ca -0.00 0.27 -0.30 0.00 0.05 0.00 0.00 55.36 55.37 3f5r s GLN 100 Cb -0.14 -3.76 -0.06 0.00 1.10 0.00 0.00 33.01 30.15 3f5r s GLN 100 CO 0.02 -0.65 1.37 0.08 -0.55 0.00 0.00 175.29 175.56 3f5r s VAL 101 N 2.71 3.68 0.08 1.34 1.01 -1.26 -4.64 120.40 123.33 3f5r s VAL 101 Ca 0.26 1.12 -0.28 0.00 0.00 0.00 0.00 61.98 63.08 3f5r s VAL 101 Cb -0.15 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 3f5r s VAL 101 CO 0.13 0.02 0.87 -1.61 0.00 0.00 0.00 175.10 174.52 3f5r s GLU 102 N 2.01 4.61 -0.54 2.72 2.02 0.07 -4.88 118.70 124.71 3f5r s GLU 102 Ca 0.63 1.28 -0.22 0.00 0.02 0.00 0.00 54.97 56.68 3f5r s GLU 102 Cb -0.32 -3.37 0.05 0.00 0.10 0.00 0.00 34.13 30.59 3f5r s GLU 102 CO 0.27 0.24 0.80 -0.65 0.02 0.00 0.00 175.26 175.94 3f5r s GLN 103 N -0.02 3.21 -0.29 1.61 -0.21 -1.26 -0.15 119.66 122.55 3f5r s GLN 103 Ca 0.43 -0.62 0.19 0.00 0.02 0.00 0.00 55.36 55.38 3f5r s GLN 103 Cb -0.22 -4.09 0.48 0.00 1.00 0.00 0.00 33.01 30.18 3f5r s GLN 103 CO 0.27 -1.40 1.07 0.54 -2.12 0.00 0.00 175.29 173.64 3f5r n ARG 104 N 6.89 1.81 0.00 2.91 1.74 0.16 -4.88 116.66 125.29 3f5r n ARG 104 Ca -0.03 -3.54 0.10 0.00 -0.77 0.00 0.00 57.85 53.61 3f5r n ARG 104 Cb 0.46 -1.59 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 3f5r n ARG 104 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3f5r n GLU 105 N -0.43 1.26 -3.86 5.56 0.00 -1.14 -4.45 120.64 117.58 3f5r n GLU 105 Ca 0.13 -0.90 -0.09 0.00 0.00 0.00 0.00 57.16 56.30 3f5r n GLU 105 Cb 0.81 -1.43 -0.06 0.00 0.00 0.00 0.00 31.44 30.76 3f5r n GLU 105 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 3f5r s HIS 106 N -2.39 0.17 -1.32 -1.84 -3.43 -1.26 -4.47 115.29 100.76 3f5r s HIS 106 Ca 0.17 -0.54 0.24 0.00 -0.80 0.00 0.00 55.06 54.13 3f5r s HIS 106 Cb 0.17 0.07 1.18 0.00 -1.43 0.00 0.00 32.58 32.57 3f5r s HIS 106 CO 0.55 -0.72 1.80 -1.13 -2.00 0.00 0.00 174.74 173.25 3f5r n SER 107 N -0.21 0.00 -0.41 7.38 3.41 -1.26 -2.48 113.62 120.04 3f5r n SER 107 Ca -0.10 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.72 3f5r n SER 107 Cb 0.63 -0.34 0.36 0.00 -0.26 0.00 0.00 64.21 64.60 3f5r n SER 107 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3f5r n LEU 108 N -1.34 1.46 -4.68 1.04 4.77 -1.26 -4.92 117.00 112.07 3f5r n LEU 108 Ca 0.10 -0.46 -0.45 0.00 -0.03 0.00 0.00 56.01 55.17 3f5r n LEU 108 Cb 0.22 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.21 3f5r n LEU 108 CO 0.20 0.26 1.20 0.54 -1.33 0.00 0.00 177.39 178.25 3f5r n ARG 109 N -0.13 2.28 -0.25 3.23 5.12 -1.04 -2.19 116.66 123.69 3f5r n ARG 109 Ca 0.14 0.82 0.00 0.00 -1.93 0.00 0.00 57.85 56.88 3f5r n ARG 109 Cb 0.38 -2.59 0.00 0.00 -1.16 0.00 0.00 32.46 29.10 3f5r n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3f5r n GLY 110 N 3.22 1.44 0.00 -0.13 0.00 -1.26 -5.09 105.19 103.36 3f5r n GLY 110 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.18 3f5r n GLY 110 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19