#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c s ARG 3 N 0.00 3.40 -0.10 0.00 3.00 -1.26 -4.60 118.95 119.40 3i9c s ARG 3 Ca 0.00 0.44 -0.03 0.00 -1.00 0.00 0.00 55.73 55.15 3i9c s ARG 3 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 34.95 32.77 3i9c s ARG 3 CO 0.00 -0.53 0.05 -0.11 0.00 0.00 0.00 175.30 174.71 3i9c n LEU 4 N -2.60 -5.27 -4.73 -0.88 7.94 -1.26 -4.84 117.00 105.36 3i9c n LEU 4 Ca 0.04 1.16 -0.40 0.00 -1.11 0.00 0.00 56.01 55.71 3i9c n LEU 4 Cb 0.55 -2.24 0.03 0.00 0.53 0.00 0.00 43.42 42.29 3i9c n LEU 4 CO 0.56 -2.74 0.96 0.35 -1.11 0.00 0.00 177.39 175.41 3i9c n THR 5 N 1.67 3.08 0.23 1.96 -2.24 -1.26 -4.84 114.28 112.88 3i9c n THR 5 Ca -0.09 -0.50 0.14 0.00 -2.27 0.00 0.00 64.05 61.33 3i9c n THR 5 Cb 0.28 -1.67 0.76 0.00 -2.10 0.00 0.00 70.33 67.61 3i9c n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i9c h ALA 6 N 1.87 1.07 -3.00 6.98 0.00 -1.95 -3.12 119.26 121.11 3i9c h ALA 6 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3i9c h ALA 6 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3i9c h ALA 6 CO 0.59 -0.07 0.00 0.98 0.00 0.00 0.00 179.25 180.75 3i9c n TYR 7 N -2.53 0.00 0.12 0.00 4.19 -1.26 -3.53 117.16 114.15 3i9c n TYR 7 Ca -0.02 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.20 3i9c n TYR 7 Cb 0.13 0.00 0.03 0.00 0.49 0.00 0.00 39.34 39.99 3i9c n TYR 7 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 3i9c n GLU 8 N -0.06 0.02 0.13 2.98 0.28 -1.21 0.34 120.64 123.11 3i9c n GLU 8 Ca 0.00 0.36 0.12 0.00 -0.16 0.00 0.00 57.16 57.49 3i9c n GLU 8 Cb 0.00 -2.18 0.48 0.00 1.43 0.00 0.00 31.44 31.17 3i9c n GLU 8 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 3i9c n ARG 9 N -1.58 0.21 -0.12 3.44 0.63 -1.18 -2.91 116.66 115.14 3i9c n ARG 9 Ca -0.00 0.38 -0.17 0.00 -0.92 0.00 0.00 57.85 57.15 3i9c n ARG 9 Cb 0.63 -1.86 -0.11 0.00 0.45 0.00 0.00 32.46 31.57 3i9c n ARG 9 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3i9c n ARG 10 N -2.24 0.61 0.00 -0.14 1.74 0.15 -3.15 116.66 113.63 3i9c n ARG 10 Ca 0.03 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3i9c n ARG 10 Cb 0.27 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3i9c n ARG 10 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3i9c n LYS 11 N -3.21 0.59 0.13 5.56 4.81 -1.15 -2.61 118.16 122.28 3i9c n LYS 11 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.01 3i9c n LYS 11 Cb 0.96 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 34.77 3i9c n LYS 11 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i9c n PHE 12 N 0.50 -2.14 -0.38 5.64 0.99 -1.19 -4.40 117.46 116.48 3i9c n PHE 12 Ca 0.00 0.38 0.31 0.00 -0.00 0.00 0.00 57.45 58.14 3i9c n PHE 12 Cb 0.24 0.48 0.61 0.00 -1.00 0.00 0.00 39.48 39.81 3i9c n PHE 12 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 3i9c h ARG 13 N 0.00 0.19 0.00 -1.08 2.43 -1.45 0.44 114.38 114.91 3i9c h ARG 13 Ca 0.00 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 3i9c h ARG 13 Cb 0.00 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3i9c h ARG 13 CO 0.00 0.13 -1.89 1.55 -1.51 0.00 0.00 179.97 178.25 3i9c n VAL 14 N -4.54 0.40 0.22 0.20 3.14 -1.07 -3.92 118.33 112.76 3i9c n VAL 14 Ca 0.30 -0.49 -0.13 0.00 -2.96 0.00 0.00 64.34 61.06 3i9c n VAL 14 Cb 1.19 -0.14 -0.07 0.00 -1.06 0.00 0.00 33.84 33.75 3i9c n VAL 14 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3i9c h ARG 15 N 0.00 -0.57 -0.35 1.45 9.65 -0.80 -2.66 114.38 121.11 3i9c h ARG 15 Ca -0.16 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 3i9c h ARG 15 Cb 1.22 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 3i9c h ARG 15 CO 0.01 -0.26 0.06 -0.91 2.80 0.00 0.00 179.97 181.67 3i9c h ASN 16 N -0.95 0.55 -0.11 -3.80 2.35 -0.54 -2.55 115.58 110.53 3i9c h ASN 16 Ca -0.06 -0.26 0.02 0.00 -0.55 0.00 0.00 56.30 55.45 3i9c h ASN 16 Cb 0.57 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.75 3i9c h ASN 16 CO 0.10 0.67 -0.38 -0.09 -1.65 0.00 0.00 177.43 176.08 3i9c h ARG 17 N 0.41 -0.38 0.06 0.81 9.65 -1.68 -2.79 114.38 120.47 3i9c h ARG 17 Ca 0.11 0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.04 3i9c h ARG 17 Cb 0.35 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.96 3i9c h ARG 17 CO 0.01 -0.25 -0.45 0.82 2.80 0.00 0.00 179.97 182.90 3i9c h ILE 18 N -0.39 0.12 -3.40 1.20 2.04 -1.51 -3.41 117.51 112.15 3i9c h ILE 18 Ca 0.02 0.00 -0.54 0.00 1.00 0.00 0.00 64.86 65.34 3i9c h ILE 18 Cb 0.47 0.12 0.20 0.00 -0.74 0.00 0.00 36.82 36.87 3i9c h ILE 18 CO -0.31 0.00 -0.45 0.29 0.00 0.00 0.00 178.15 177.68 3i9c n LYS 19 N -5.46 -0.07 0.00 2.37 5.02 -0.96 -2.52 118.16 116.54 3i9c n LYS 19 Ca -0.07 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 3i9c n LYS 19 Cb 0.38 -1.89 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3i9c n LYS 19 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 3i9c n ARG 20 N -1.49 0.00 0.00 1.97 0.00 -1.26 -4.79 116.66 111.09 3i9c n ARG 20 Ca 0.08 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.00 3i9c n ARG 20 Cb 0.52 0.00 0.43 0.00 0.00 0.00 0.00 32.46 33.41 3i9c n ARG 20 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 3i9c n THR 21 N 0.00 0.00 0.00 5.15 -2.24 -1.05 -4.82 114.28 111.33 3i9c n THR 21 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i9c n THR 21 Cb 0.00 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 3i9c n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i9c n GLY 22 N 0.20 2.87 0.00 3.38 0.00 -1.26 -5.02 105.19 105.36 3i9c n GLY 22 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3i9c n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c n ARG 23 N -2.00 -1.01 -3.98 1.61 3.00 -1.26 -5.02 116.66 108.00 3i9c n ARG 23 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.85 57.49 3i9c n ARG 23 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.32 3i9c n ARG 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3i9c s LEU 24 N 0.00 2.84 -0.35 0.55 2.01 -1.26 -4.85 118.68 117.62 3i9c s LEU 24 Ca 0.00 -0.40 -0.29 0.00 0.01 0.00 0.00 54.13 53.46 3i9c s LEU 24 Cb 0.00 -1.71 -0.01 0.00 0.01 0.00 0.00 46.19 44.48 3i9c s LEU 24 CO 0.00 -0.00 1.58 -0.60 1.01 0.00 0.00 176.35 178.34 3i9c s ARG 25 N 1.37 3.52 -1.16 1.70 3.52 -1.14 -0.70 118.95 126.06 3i9c s ARG 25 Ca 0.05 1.23 -0.10 0.00 -0.13 0.00 0.00 55.73 56.78 3i9c s ARG 25 Cb -0.14 -4.09 0.23 0.00 -1.56 0.00 0.00 34.95 29.39 3i9c s ARG 25 CO -0.03 -1.63 1.33 -0.11 -0.81 0.00 0.00 175.30 174.06 3i9c n LEU 26 N 9.29 5.58 -4.77 -0.88 0.00 -1.26 -0.66 117.00 124.30 3i9c n LEU 26 Ca 0.19 -4.81 -0.41 0.00 0.00 0.00 0.00 56.01 50.99 3i9c n LEU 26 Cb 0.47 -1.51 -0.02 0.00 0.00 0.00 0.00 43.42 42.36 3i9c n LEU 26 CO 0.69 1.15 0.98 -0.44 0.00 0.00 0.00 177.39 179.76 3i9c s SER 27 N 1.56 6.78 -0.24 1.96 0.01 -1.16 -0.86 113.70 121.75 3i9c s SER 27 Ca 0.36 2.69 0.02 0.00 1.31 0.00 0.00 55.95 60.33 3i9c s SER 27 Cb -0.04 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.59 3i9c s SER 27 CO -0.02 -0.53 -0.11 -0.69 0.41 0.00 0.00 173.24 172.29 3i9c s VAL 28 N -1.14 1.98 -0.16 3.43 1.01 -1.26 -2.58 120.40 121.68 3i9c s VAL 28 Ca 0.49 -1.39 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 3i9c s VAL 28 Cb -0.40 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3i9c s VAL 28 CO 0.53 0.06 0.27 0.12 0.00 0.00 0.00 175.10 176.08 3i9c s PHE 29 N 1.21 3.47 -0.36 5.22 5.99 -0.81 -4.64 117.98 128.06 3i9c s PHE 29 Ca -0.06 0.57 0.01 0.00 0.00 0.00 0.00 56.93 57.45 3i9c s PHE 29 Cb -0.18 -2.29 0.11 0.00 0.00 0.00 0.00 43.02 40.66 3i9c s PHE 29 CO -0.07 0.29 0.15 0.50 -0.00 0.00 0.00 175.22 176.10 3i9c s ARG 30 N 0.30 0.95 0.22 10.12 3.52 -1.26 -1.65 118.95 131.14 3i9c s ARG 30 Ca 0.15 -1.46 -0.04 0.00 -0.13 0.00 0.00 55.73 54.25 3i9c s ARG 30 Cb -0.13 -2.14 -0.05 0.00 -1.56 0.00 0.00 34.95 31.07 3i9c s ARG 30 CO 0.03 -1.06 0.46 -1.54 -0.81 0.00 0.00 175.30 172.38 3i9c s SER 31 N 1.10 6.46 0.23 -2.12 1.04 -1.24 -4.95 113.70 114.22 3i9c s SER 31 Ca 0.13 0.62 0.08 0.00 0.48 0.00 0.00 55.95 57.26 3i9c s SER 31 Cb -0.20 -2.10 0.43 0.00 0.10 0.00 0.00 66.02 64.25 3i9c s SER 31 CO -0.14 -0.07 1.08 0.18 0.98 0.00 0.00 173.24 175.27 3i9c n LEU 32 N -0.47 0.21 -0.00 2.42 4.77 -1.26 -1.04 117.00 121.63 3i9c n LEU 32 Ca -0.02 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3i9c n LEU 32 Cb 0.53 -0.38 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3i9c n LEU 32 CO 0.48 -0.51 -0.06 0.29 -1.33 0.00 0.00 177.39 176.26 3i9c n LYS 33 N -1.79 5.95 0.00 3.23 5.02 -1.26 -5.11 118.16 124.20 3i9c n LYS 33 Ca -0.01 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3i9c n LYS 33 Cb 0.34 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.76 3i9c n LYS 33 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3i9c n HIS 34 N -1.08 0.00 -3.27 2.13 8.25 -0.20 -4.99 115.22 116.06 3i9c n HIS 34 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 3i9c n HIS 34 Cb 0.01 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 3i9c n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3i9c s ILE 35 N 0.11 -0.18 -0.18 1.59 2.07 -1.26 -3.71 121.20 119.64 3i9c s ILE 35 Ca 0.00 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 3i9c s ILE 35 Cb 0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.62 3i9c s ILE 35 CO 0.00 0.00 -0.16 -0.31 -1.91 0.00 0.00 174.94 172.56 3i9c s TYR 36 N 2.12 2.57 0.06 3.50 1.51 -0.66 -0.80 117.35 125.65 3i9c s TYR 36 Ca -0.01 -1.57 -0.06 0.00 -1.01 0.00 0.00 57.07 54.43 3i9c s TYR 36 Cb -0.02 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 40.01 3i9c s TYR 36 CO -0.16 -0.76 0.30 0.00 -1.11 0.00 0.00 175.55 173.82 3i9c s ALA 37 N 1.35 3.84 -0.28 3.71 0.00 -0.87 -1.93 121.76 127.58 3i9c s ALA 37 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3i9c s ALA 37 Cb -0.14 -2.07 0.15 0.00 0.00 0.00 0.00 23.12 21.05 3i9c s ALA 37 CO -0.11 0.67 0.35 -1.14 0.00 0.00 0.00 175.76 175.54 3i9c s GLN 38 N -2.11 0.37 -0.79 0.00 0.74 -1.06 -3.22 119.66 113.58 3i9c s GLN 38 Ca 0.33 0.05 -0.25 0.00 0.05 0.00 0.00 55.36 55.53 3i9c s GLN 38 Cb -0.13 -0.49 -0.01 0.00 1.10 0.00 0.00 33.01 33.48 3i9c s GLN 38 CO 0.20 -0.99 1.76 0.42 -0.55 0.00 0.00 175.29 176.13 3i9c s ILE 39 N 2.46 3.52 0.65 -2.34 -1.09 -1.09 -2.98 121.20 120.33 3i9c s ILE 39 Ca 0.10 -0.11 -0.00 0.00 -2.23 0.00 0.00 60.65 58.40 3i9c s ILE 39 Cb -0.13 -4.25 0.09 0.00 -1.58 0.00 0.00 42.46 36.58 3i9c s ILE 39 CO -0.30 -1.19 0.91 -0.63 -1.23 0.00 0.00 174.94 172.50 3i9c s ILE 40 N 8.43 2.35 -0.33 2.92 1.01 0.16 -2.36 121.20 133.39 3i9c s ILE 40 Ca 0.61 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.72 3i9c s ILE 40 Cb -0.08 -2.75 0.19 0.00 0.01 0.00 0.00 42.46 39.82 3i9c s ILE 40 CO 0.08 0.00 0.57 -0.62 0.00 0.00 0.00 174.94 174.96 3i9c s ASP 41 N -4.60 -1.19 1.28 3.58 2.15 -0.83 -2.89 116.67 114.17 3i9c s ASP 41 Ca 0.62 -0.24 -0.16 0.00 0.43 0.00 0.00 52.55 53.21 3i9c s ASP 41 Cb -0.08 1.82 0.24 0.00 -0.30 0.00 0.00 42.92 44.60 3i9c s ASP 41 CO 0.42 -0.27 0.64 0.47 -0.17 0.00 0.00 175.17 176.26 3i9c n ASP 42 N 5.09 -2.90 0.00 -0.34 9.92 -1.26 -1.81 116.55 125.24 3i9c n ASP 42 Ca 0.06 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.61 3i9c n ASP 42 Cb 0.54 -0.68 0.00 0.00 -0.64 0.00 0.00 41.12 40.34 3i9c n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3i9c n GLU 43 N -4.32 0.00 0.00 -1.24 1.02 -1.26 -4.18 120.64 110.66 3i9c n GLU 43 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3i9c n GLU 43 Cb 0.41 -2.87 0.00 0.00 -0.02 0.00 0.00 31.44 28.96 3i9c n GLU 43 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3i9c n LYS 44 N -2.00 0.53 -2.30 3.49 4.81 -1.21 -5.04 118.16 116.43 3i9c n LYS 44 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 3i9c n LYS 44 Cb 0.00 -0.19 -0.02 0.00 0.02 0.00 0.00 35.03 34.84 3i9c n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9c n GLY 45 N -0.10 -0.18 3.73 3.14 0.00 -0.75 -4.99 105.19 106.04 3i9c n GLY 45 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3i9c n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9c s VAL 46 N -2.99 2.10 0.18 1.61 1.01 -1.21 -4.95 120.40 116.14 3i9c s VAL 46 Ca 0.00 -1.77 0.11 0.00 0.00 0.00 0.00 61.98 60.32 3i9c s VAL 46 Cb 0.00 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.47 3i9c s VAL 46 CO 0.00 0.00 -0.21 -0.89 0.00 0.00 0.00 175.10 174.00 3i9c s THR 47 N -2.66 2.55 0.00 3.92 2.01 -1.26 -1.96 115.64 118.24 3i9c s THR 47 Ca 0.36 -1.88 0.00 0.00 0.31 0.00 0.00 61.69 60.48 3i9c s THR 47 Cb 0.05 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.34 3i9c s THR 47 CO 0.20 -0.07 0.04 0.18 -0.69 0.00 0.00 174.62 174.27 3i9c n LEU 48 N 0.35 0.07 -3.79 4.42 4.32 -0.99 -5.03 117.00 116.34 3i9c n LEU 48 Ca -0.13 -0.35 -0.13 0.00 -0.02 0.00 0.00 56.01 55.38 3i9c n LEU 48 Cb 0.55 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.26 3i9c n LEU 48 CO 0.30 0.02 -0.04 -0.69 -1.22 0.00 0.00 177.39 175.75 3i9c s VAL 49 N -0.56 0.06 -0.15 4.08 1.01 -1.25 -5.03 120.40 118.56 3i9c s VAL 49 Ca 0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.22 3i9c s VAL 49 Cb 0.00 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.90 3i9c s VAL 49 CO 0.00 -0.27 0.65 -0.94 0.00 0.00 0.00 175.10 174.53 3i9c s SER 50 N -1.22 -0.64 -0.30 3.32 1.04 -1.26 -2.66 113.70 111.97 3i9c s SER 50 Ca -0.13 0.99 -0.16 0.00 0.48 0.00 0.00 55.95 57.13 3i9c s SER 50 Cb -0.06 0.94 0.17 0.00 0.10 0.00 0.00 66.02 67.17 3i9c s SER 50 CO 0.03 -0.41 1.06 0.00 0.98 0.00 0.00 173.24 174.90 3i9c s ALA 51 N -0.42 -2.61 0.36 5.32 0.00 -1.20 -4.88 121.76 118.34 3i9c s ALA 51 Ca -0.06 2.07 0.04 0.00 0.00 0.00 0.00 51.96 54.01 3i9c s ALA 51 Cb -0.03 -1.94 -0.03 0.00 0.00 0.00 0.00 23.12 21.12 3i9c s ALA 51 CO 0.05 -0.63 0.13 -1.12 0.00 0.00 0.00 175.76 174.19 3i9c s SER 52 N 1.78 2.33 0.43 0.00 0.01 -1.26 -2.05 113.70 114.94 3i9c s SER 52 Ca -0.05 -1.60 0.24 0.00 1.31 0.00 0.00 55.95 55.84 3i9c s SER 52 Cb -0.04 0.39 0.74 0.00 0.21 0.00 0.00 66.02 67.33 3i9c s SER 52 CO -0.15 -0.88 1.75 -1.28 0.41 0.00 0.00 173.24 173.08 3i9c h SER 53 N 1.97 0.00 0.00 2.44 0.87 -1.32 -3.18 113.55 114.33 3i9c h SER 53 Ca -0.35 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 59.86 3i9c h SER 53 Cb 1.26 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.16 3i9c h SER 53 CO 0.56 0.21 -2.33 -0.11 -0.53 0.00 0.00 176.83 174.63 3i9c n LEU 54 N -3.28 2.97 -0.39 2.23 -0.00 -1.26 -3.54 117.00 113.73 3i9c n LEU 54 Ca 0.01 -0.12 0.35 0.00 -0.00 0.00 0.00 56.01 56.25 3i9c n LEU 54 Cb 0.48 -0.82 0.62 0.00 -0.00 0.00 0.00 43.42 43.70 3i9c n LEU 54 CO 0.34 0.89 1.11 0.00 -0.00 0.00 0.00 177.39 179.73 3i9c n ALA 55 N -3.19 1.18 -3.05 1.96 0.00 -1.20 -2.26 120.51 113.93 3i9c n ALA 55 Ca -0.42 0.91 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 3i9c n ALA 55 Cb 0.94 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 3i9c n ALA 55 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 3i9c n LEU 56 N -4.89 -1.04 0.00 0.00 -0.00 -1.20 -4.89 117.00 104.97 3i9c n LEU 56 Ca 0.38 -4.14 0.00 0.00 -0.00 0.00 0.00 56.01 52.25 3i9c n LEU 56 Cb 1.40 0.70 0.00 0.00 -0.00 0.00 0.00 43.42 45.51 3i9c n LEU 56 CO 0.10 2.02 0.00 0.29 -0.00 0.00 0.00 177.39 179.80 3i9c n LYS 57 N 1.72 0.00 -3.70 1.47 5.02 -0.96 -4.91 118.16 116.80 3i9c n LYS 57 Ca 0.18 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.49 3i9c n LYS 57 Cb 0.56 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.57 3i9c n LYS 57 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 3i9c s LEU 58 N 0.00 -0.05 0.00 -0.35 2.34 -1.23 -5.01 118.68 114.38 3i9c s LEU 58 Ca 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 54.13 54.02 3i9c s LEU 58 Cb 0.00 1.41 0.00 0.00 -0.56 0.00 0.00 46.19 47.04 3i9c s LEU 58 CO 0.00 -0.33 0.00 1.17 -1.06 0.00 0.00 176.35 176.13 3i9c n LYS 59 N -0.58 0.00 0.00 1.48 4.81 -1.26 -4.99 118.16 117.63 3i9c n LYS 59 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 3i9c n LYS 59 Cb 0.62 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.67 3i9c n LYS 59 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i9c n GLY 60 N -0.10 -0.09 0.00 3.14 0.00 -1.26 -4.98 105.19 101.90 3i9c n GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9c n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i9c n ASN 61 N 0.00 0.00 -0.35 1.61 2.85 -1.26 -4.83 115.26 113.28 3i9c n ASN 61 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 3i9c n ASN 61 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 3i9c n ASN 61 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3i9c n LYS 62 N -0.30 -0.36 0.30 1.20 5.02 -1.26 0.46 118.16 123.21 3i9c n LYS 62 Ca 0.00 1.40 -0.12 0.00 -2.02 0.00 0.00 58.31 57.57 3i9c n LYS 62 Cb 0.00 -2.06 -0.05 0.00 -0.02 0.00 0.00 35.03 32.90 3i9c n LYS 62 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3i9c h THR 63 N 0.00 0.00 -1.33 -0.18 1.35 -1.94 -2.66 112.91 108.15 3i9c h THR 63 Ca 0.13 -0.01 0.39 0.00 -0.55 0.00 0.00 66.41 66.38 3i9c h THR 63 Cb 0.34 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.68 3i9c h THR 63 CO -0.78 0.00 0.93 -0.33 -0.25 0.00 0.00 175.52 175.09 3i9c h GLU 64 N -0.76 0.09 0.16 4.72 5.08 -1.84 0.42 114.58 122.45 3i9c h GLU 64 Ca -0.08 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3i9c h GLU 64 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3i9c h GLU 64 CO 0.13 0.06 -0.20 0.28 -1.00 0.00 0.00 179.01 178.27 3i9c h VAL 65 N 0.09 0.00 0.00 3.13 2.07 0.35 -3.22 116.25 118.66 3i9c h VAL 65 Ca 0.69 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.21 3i9c h VAL 65 Cb 2.47 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3i9c h VAL 65 CO -0.14 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.45 3i9c n ALA 66 N -2.52 0.00 -0.10 1.67 0.00 0.15 -1.85 120.51 117.85 3i9c n ALA 66 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.38 3i9c n ALA 66 Cb 0.18 0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.84 3i9c n ALA 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i9c n ARG 67 N -1.72 -0.09 -0.14 0.00 0.63 -1.19 0.16 116.66 114.31 3i9c n ARG 67 Ca 0.00 0.38 -0.11 0.00 -0.92 0.00 0.00 57.85 57.21 3i9c n ARG 67 Cb 0.00 -0.56 -0.02 0.00 0.45 0.00 0.00 32.46 32.33 3i9c n ARG 67 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3i9c h GLN 68 N 0.00 0.73 -0.37 -0.14 4.20 -1.45 0.99 115.11 119.07 3i9c h GLN 68 Ca 0.06 -0.26 0.07 0.00 0.06 0.00 0.00 58.65 58.58 3i9c h GLN 68 Cb 0.12 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3i9c h GLN 68 CO -0.24 0.84 0.26 -0.24 -0.67 0.00 0.00 178.83 178.78 3i9c h VAL 69 N 0.55 0.92 0.14 -0.54 3.04 0.18 0.58 116.25 121.12 3i9c h VAL 69 Ca 0.11 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.72 3i9c h VAL 69 Cb 0.54 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 3i9c h VAL 69 CO 0.03 0.04 -0.07 1.23 -1.01 0.00 0.00 177.57 177.79 3i9c h GLY 70 N 0.21 -0.20 -0.55 3.17 0.00 0.12 -1.47 103.07 104.36 3i9c h GLY 70 Ca 0.17 0.07 0.34 0.00 0.00 0.00 0.00 47.33 47.91 3i9c h GLY 70 CO -0.03 -0.07 0.95 3.21 0.00 0.00 0.00 176.54 180.60 3i9c h ARG 71 N -1.02 0.00 0.38 4.80 3.08 0.17 0.59 114.38 122.37 3i9c h ARG 71 Ca -0.02 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3i9c h ARG 71 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3i9c h ARG 71 CO 0.03 0.00 -0.18 0.00 -1.07 0.00 0.00 179.97 178.75 3i9c h ALA 72 N 1.19 -0.67 -1.16 0.04 0.00 0.21 -1.70 119.26 117.17 3i9c h ALA 72 Ca 0.55 -0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.68 3i9c h ALA 72 Cb 2.44 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 20.34 3i9c h ALA 72 CO -0.01 -0.64 0.78 1.25 0.00 0.00 0.00 179.25 180.63 3i9c h LEU 73 N -0.82 0.27 -0.01 0.00 7.12 0.11 0.17 115.31 122.15 3i9c h LEU 73 Ca -0.05 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 3i9c h LEU 73 Cb 0.39 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.55 3i9c h LEU 73 CO 0.08 0.01 -0.00 0.00 -0.13 0.00 0.00 178.44 178.40 3i9c h ALA 74 N 1.54 0.01 -0.40 1.25 0.00 -0.30 -2.82 119.26 118.54 3i9c h ALA 74 Ca 0.64 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.47 3i9c h ALA 74 Cb 1.98 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.68 3i9c h ALA 74 CO -0.23 -0.33 -0.21 0.93 0.00 0.00 0.00 179.25 179.41 3i9c h GLU 75 N -0.30 -0.14 -0.00 0.00 5.08 0.31 -0.01 114.58 119.51 3i9c h GLU 75 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3i9c h GLU 75 Cb 0.32 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3i9c h GLU 75 CO 0.00 -0.09 0.01 0.87 -1.00 0.00 0.00 179.01 178.80 3i9c h LYS 76 N -0.14 0.00 0.10 2.33 1.57 -1.45 -3.09 116.57 115.89 3i9c h LYS 76 Ca 0.19 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3i9c h LYS 76 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3i9c h LYS 76 CO -0.48 0.00 -0.05 0.00 -0.57 0.00 0.00 179.45 178.35 3i9c h ALA 77 N 1.99 -0.36 -0.97 3.86 0.00 -0.73 -3.27 119.26 119.79 3i9c h ALA 77 Ca 0.00 -0.03 0.28 0.00 0.00 0.00 0.00 54.91 55.16 3i9c h ALA 77 Cb 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3i9c h ALA 77 CO -0.00 -0.35 0.85 -0.07 0.00 0.00 0.00 179.25 179.68 3i9c h LEU 78 N -0.34 0.00 -1.82 0.00 3.38 -1.54 1.26 115.31 116.24 3i9c h LEU 78 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3i9c h LEU 78 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3i9c h LEU 78 CO 0.02 0.00 0.05 0.00 0.09 0.00 0.00 178.44 178.60 3i9c n ALA 79 N -2.53 2.82 -1.90 1.53 0.00 -1.17 -2.95 120.51 116.32 3i9c n ALA 79 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3i9c n ALA 79 Cb 1.17 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 19.58 3i9c n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9c n LEU 80 N 0.18 0.00 0.00 0.00 4.77 0.43 -4.99 117.00 117.39 3i9c n LEU 80 Ca 0.06 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3i9c n LEU 80 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3i9c n LEU 80 CO 0.07 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3i9c n GLY 81 N 0.00 0.45 3.56 -0.72 0.00 -1.15 -4.92 105.19 102.41 3i9c n GLY 81 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i9c n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9c s ILE 82 N -2.27 3.40 0.00 -0.61 -1.09 -1.14 -4.86 121.20 114.62 3i9c s ILE 82 Ca 0.00 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 3i9c s ILE 82 Cb 0.00 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3i9c s ILE 82 CO 0.00 -0.82 0.00 1.17 -1.23 0.00 0.00 174.94 174.06 3i9c n LYS 83 N 8.77 0.00 -1.59 2.79 4.81 -1.26 -4.20 118.16 127.48 3i9c n LYS 83 Ca 0.42 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.44 3i9c n LYS 83 Cb 0.46 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.53 3i9c n LYS 83 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3i9c n GLN 84 N 0.00 1.24 -4.03 1.64 6.02 -1.26 -3.44 117.38 117.55 3i9c n GLN 84 Ca 0.00 0.45 -0.10 0.00 -0.01 0.00 0.00 57.00 57.34 3i9c n GLN 84 Cb 0.00 -1.98 -0.06 0.00 1.02 0.00 0.00 30.24 29.22 3i9c n GLN 84 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3i9c s VAL 85 N -1.30 0.00 -0.11 5.09 -7.23 -1.26 -4.64 120.40 110.95 3i9c s VAL 85 Ca 0.64 -1.49 -0.10 0.00 -1.81 0.00 0.00 61.98 59.22 3i9c s VAL 85 Cb -0.56 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 3i9c s VAL 85 CO 0.57 0.00 -0.19 0.00 -0.31 0.00 0.00 175.10 175.17 3i9c n ALA 86 N -0.37 0.47 -0.33 1.32 0.00 0.13 -4.78 120.51 116.94 3i9c n ALA 86 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3i9c n ALA 86 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3i9c n ALA 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i9c n PHE 87 N -3.87 0.00 0.00 0.00 7.35 -1.24 -4.91 117.46 114.79 3i9c n PHE 87 Ca -0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.61 3i9c n PHE 87 Cb 0.28 -0.78 0.00 0.00 0.35 0.00 0.00 39.48 39.33 3i9c n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 3i9c n ASP 88 N 0.00 0.00 0.00 -2.13 4.64 -0.04 -4.79 116.55 114.23 3i9c n ASP 88 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3i9c n ASP 88 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 3i9c n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3i9c n ARG 89 N 0.00 0.00 0.00 -0.67 0.63 -1.26 -4.99 116.66 110.37 3i9c n ARG 89 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i9c n ARG 89 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i9c n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i9c n GLY 90 N 0.00 0.62 0.00 5.14 0.00 -1.26 -1.00 105.19 108.69 3i9c n GLY 90 Ca 0.00 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.28 3i9c n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i9c n PRO 91 N 0.00 0.07 -2.01 1.61 -0.04 -1.26 -4.68 135.00 128.69 3i9c n PRO 91 Ca 0.00 0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 63.21 3i9c n PRO 91 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3i9c n PRO 91 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3i9c s TYR 92 N -2.88 1.87 0.98 0.54 2.02 -0.17 -4.94 117.35 114.78 3i9c s TYR 92 Ca 0.11 0.54 -0.13 0.00 -0.37 0.00 0.00 57.07 57.22 3i9c s TYR 92 Cb 0.12 -4.07 0.06 0.00 -0.40 0.00 0.00 41.96 37.66 3i9c s TYR 92 CO 0.31 -3.10 0.41 1.17 -1.57 0.00 0.00 175.55 172.77 3i9c n LYS 93 N 8.12 -0.54 -2.83 -0.62 4.81 -1.26 -4.76 118.16 121.08 3i9c n LYS 93 Ca 0.21 -0.12 -0.43 0.00 -0.87 0.00 0.00 58.31 57.11 3i9c n LYS 93 Cb 0.46 -1.88 -0.04 0.00 0.02 0.00 0.00 35.03 33.59 3i9c n LYS 93 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3i9c s TYR 94 N -2.39 2.65 -0.07 5.64 5.04 -1.26 -4.79 117.35 122.16 3i9c s TYR 94 Ca 0.58 -0.45 -0.31 0.00 -2.44 0.00 0.00 57.07 54.45 3i9c s TYR 94 Cb -0.20 -4.29 0.12 0.00 0.35 0.00 0.00 41.96 37.93 3i9c s TYR 94 CO 0.67 -1.65 1.04 -1.58 -1.34 0.00 0.00 175.55 172.68 3i9c s HIS 95 N 4.20 -0.23 0.00 4.97 2.46 -1.26 -4.88 115.29 120.55 3i9c s HIS 95 Ca 0.24 0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.90 3i9c s HIS 95 Cb -0.16 0.53 0.00 0.00 -0.13 0.00 0.00 32.58 32.83 3i9c s HIS 95 CO 0.12 -0.41 0.00 0.41 -2.47 0.00 0.00 174.74 172.39 3i9c n GLY 96 N -0.20 0.60 0.00 1.59 0.00 -1.26 -2.19 105.19 103.73 3i9c n GLY 96 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i9c n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c n ARG 97 N 0.00 0.00 -0.21 1.61 5.12 -1.26 0.37 116.66 122.28 3i9c n ARG 97 Ca 0.00 0.25 0.02 0.00 -1.93 0.00 0.00 57.85 56.19 3i9c n ARG 97 Cb 0.00 -0.62 0.13 0.00 -1.16 0.00 0.00 32.46 30.81 3i9c n ARG 97 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 3i9c h VAL 98 N 0.00 0.59 -0.72 1.55 -1.51 -1.84 -0.23 116.25 114.09 3i9c h VAL 98 Ca 0.00 -0.08 0.14 0.00 -1.23 0.00 0.00 66.70 65.52 3i9c h VAL 98 Cb 0.00 0.32 -0.09 0.00 -2.13 0.00 0.00 31.29 29.39 3i9c h VAL 98 CO 0.00 0.04 0.26 0.50 -1.23 0.00 0.00 177.57 177.14 3i9c h LYS 99 N 0.24 0.38 -0.44 5.19 3.64 -0.92 0.12 116.57 124.78 3i9c h LYS 99 Ca 0.34 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 3i9c h LYS 99 Cb 0.54 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3i9c h LYS 99 CO -0.45 0.25 0.21 0.00 -2.27 0.00 0.00 179.45 177.20 3i9c h ALA 100 N 1.54 0.57 -1.22 5.00 0.00 0.16 -2.45 119.26 122.86 3i9c h ALA 100 Ca 0.39 -0.11 0.38 0.00 0.00 0.00 0.00 54.91 55.58 3i9c h ALA 100 Cb 0.60 -0.18 -0.12 0.00 0.00 0.00 0.00 17.79 18.09 3i9c h ALA 100 CO -0.41 0.13 0.78 1.25 0.00 0.00 0.00 179.25 181.01 3i9c h LEU 101 N 0.58 0.31 0.00 0.00 7.12 0.40 0.44 115.31 124.16 3i9c h LEU 101 Ca 0.15 0.13 -0.05 0.00 0.13 0.00 0.00 57.88 58.24 3i9c h LEU 101 Cb 0.12 0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 3i9c h LEU 101 CO -0.02 -0.11 -1.64 0.00 -0.13 0.00 0.00 178.44 176.54 3i9c n ALA 102 N -2.50 2.51 0.19 1.25 0.00 -1.10 -3.27 120.51 117.59 3i9c n ALA 102 Ca 0.34 -0.50 0.08 0.00 0.00 0.00 0.00 53.44 53.36 3i9c n ALA 102 Cb 1.26 -0.84 0.44 0.00 0.00 0.00 0.00 19.45 20.30 3i9c n ALA 102 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i9c h GLU 103 N 0.00 0.00 0.00 0.00 4.39 0.38 0.43 114.58 119.78 3i9c h GLU 103 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3i9c h GLU 103 Cb 1.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3i9c h GLU 103 CO 0.01 0.00 -1.20 0.41 -1.16 0.00 0.00 179.01 177.07 3i9c n GLY 104 N -1.27 -0.21 0.11 -3.84 0.00 -1.16 -4.47 105.19 94.35 3i9c n GLY 104 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3i9c n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9c n ALA 105 N -1.66 0.94 -1.75 4.61 0.00 0.15 -3.81 120.51 118.99 3i9c n ALA 105 Ca -0.01 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.13 3i9c n ALA 105 Cb 0.14 -1.11 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 3i9c n ALA 105 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3i9c s ARG 106 N -3.31 3.40 0.00 0.00 1.70 -1.13 -4.57 118.95 115.04 3i9c s ARG 106 Ca -0.01 1.97 0.00 0.00 -0.47 0.00 0.00 55.73 57.21 3i9c s ARG 106 Cb 0.04 -4.27 0.00 0.00 -0.57 0.00 0.00 34.95 30.15 3i9c s ARG 106 CO 0.12 -1.79 0.00 -1.91 -1.08 0.00 0.00 175.30 170.64 3i9c n GLU 107 N 8.38 0.00 0.00 3.89 4.07 -1.26 -5.01 120.64 130.71 3i9c n GLU 107 Ca 0.26 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 3i9c n GLU 107 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 3i9c n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i9c n GLY 108 N 0.00 3.79 4.52 8.31 0.00 -1.26 -4.76 105.19 115.79 3i9c n GLY 108 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3i9c n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 109 N -0.86 0.92 0.00 -0.02 0.00 -1.22 -4.70 105.19 99.31 3i9c n GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i9c n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9c n LEU 110 N 0.00 0.00 -1.98 0.99 4.77 -1.26 -4.16 117.00 115.35 3i9c n LEU 110 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 3i9c n LEU 110 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3i9c n LEU 110 CO 0.00 0.00 0.03 -0.62 -1.33 0.00 0.00 177.39 175.47 3i9c n GLU 111 N 0.00 -0.58 0.00 3.23 -0.58 -1.26 -4.67 120.64 116.78 3i9c n GLU 111 Ca 0.00 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 57.11 3i9c n GLU 111 Cb 0.00 -2.72 0.00 0.00 -0.57 0.00 0.00 31.44 28.15 3i9c n GLU 111 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62