#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9c s HIS 3 N 0.00 2.60 -0.51 -0.14 3.76 -1.26 -3.93 115.29 115.81 3i9c s HIS 3 Ca 0.00 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 3i9c s HIS 3 Cb 0.00 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 30.17 3i9c s HIS 3 CO 0.00 -2.06 0.00 1.28 -0.85 0.00 0.00 174.74 173.11 3i9c n LEU 4 N -0.89 -0.28 -4.81 0.89 7.99 -1.26 -4.93 117.00 113.70 3i9c n LEU 4 Ca 0.10 0.12 -0.38 0.00 -0.01 0.00 0.00 56.01 55.83 3i9c n LEU 4 Cb 0.48 -1.17 -0.06 0.00 -0.11 0.00 0.00 43.42 42.55 3i9c n LEU 4 CO 0.48 -0.32 0.18 -0.54 -1.51 0.00 0.00 177.39 175.69 3i9c s LYS 5 N -2.09 4.08 -0.12 3.23 1.02 -1.25 -5.07 119.74 119.53 3i9c s LYS 5 Ca 0.00 0.55 0.00 0.00 0.02 0.00 0.00 55.97 56.54 3i9c s LYS 5 Cb 0.00 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 3i9c s LYS 5 CO 0.00 0.60 -0.14 0.45 -0.92 0.00 0.00 175.35 175.34 3i9c s SER 6 N -0.87 3.95 0.00 2.83 0.15 -1.26 -4.98 113.70 113.51 3i9c s SER 6 Ca 0.26 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.58 3i9c s SER 6 Cb -0.18 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 3i9c s SER 6 CO 0.15 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.38 3i9c n GLY 7 N 3.41 2.11 3.56 9.45 0.00 -1.26 -5.10 105.19 117.35 3i9c n GLY 7 Ca -0.18 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 3i9c n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9c n ARG 8 N 0.00 0.73 -0.40 1.61 1.74 -1.26 -4.93 116.66 114.15 3i9c n ARG 8 Ca 0.00 0.28 0.08 0.00 -0.77 0.00 0.00 57.85 57.44 3i9c n ARG 8 Cb 0.00 -1.99 0.23 0.00 -1.02 0.00 0.00 32.46 29.68 3i9c n ARG 8 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i9c n LYS 9 N -0.69 2.44 -0.58 5.56 2.85 -1.26 -5.02 118.16 121.46 3i9c n LYS 9 Ca 0.13 -2.82 0.00 0.00 -1.05 0.00 0.00 58.31 54.57 3i9c n LYS 9 Cb 0.48 -1.77 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 3i9c n LYS 9 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 3i9c n LEU 10 N -0.78 0.00 -2.64 -5.58 4.77 -1.26 -2.10 117.00 109.40 3i9c n LEU 10 Ca 0.21 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 3i9c n LEU 10 Cb 0.85 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3i9c n LEU 10 CO 0.12 0.00 -0.01 0.59 -1.33 0.00 0.00 177.39 176.76 3i9c n ASN 11 N 0.12 0.02 -3.83 -1.43 5.03 -1.26 -4.86 115.26 109.05 3i9c n ASN 11 Ca 0.00 -0.04 -0.12 0.00 0.87 0.00 0.00 54.58 55.29 3i9c n ASN 11 Cb 0.00 -0.05 -0.11 0.00 -1.02 0.00 0.00 39.78 38.60 3i9c n ASN 11 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3i9c s ARG 12 N -3.28 0.36 0.47 3.52 0.52 -0.89 -5.05 118.95 114.60 3i9c s ARG 12 Ca 0.00 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.03 3i9c s ARG 12 Cb -0.00 0.16 -0.08 0.00 0.52 0.00 0.00 34.95 35.55 3i9c s ARG 12 CO 0.03 -0.07 0.94 -3.38 0.02 0.00 0.00 175.30 172.84 3i9c s HIS 13 N -0.57 3.42 0.00 -0.53 -3.43 -1.26 -4.50 115.29 108.42 3i9c s HIS 13 Ca -0.07 1.43 0.00 0.00 -0.80 0.00 0.00 55.06 55.63 3i9c s HIS 13 Cb -0.04 -2.75 0.00 0.00 -1.43 0.00 0.00 32.58 28.36 3i9c s HIS 13 CO 0.01 -0.26 0.19 -1.13 -2.00 0.00 0.00 174.74 171.56 3i9c n SER 14 N -1.27 0.00 -0.29 7.38 3.41 -1.26 -0.18 113.62 121.41 3i9c n SER 14 Ca 0.06 0.19 -0.01 0.00 -0.26 0.00 0.00 58.87 58.85 3i9c n SER 14 Cb 0.54 -0.09 0.05 0.00 -0.26 0.00 0.00 64.21 64.45 3i9c n SER 14 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3i9c h SER 15 N 0.00 -1.11 0.00 4.04 0.87 -2.00 -2.21 113.55 113.14 3i9c h SER 15 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3i9c h SER 15 Cb 0.00 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3i9c h SER 15 CO 0.00 -0.29 0.00 1.57 -0.53 0.00 0.00 176.83 177.58 3i9c n HIS 16 N -5.48 0.00 -0.51 2.24 -0.00 0.74 -1.96 115.22 110.26 3i9c n HIS 16 Ca 0.09 0.00 0.42 0.00 -0.00 0.00 0.00 57.72 58.22 3i9c n HIS 16 Cb 0.39 -0.41 0.64 0.00 -0.00 0.00 0.00 29.99 30.61 3i9c n HIS 16 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 3i9c n ARG 17 N -1.74 0.00 -0.05 1.57 0.63 -0.65 -0.33 116.66 116.10 3i9c n ARG 17 Ca 0.00 0.97 -0.01 0.00 -0.92 0.00 0.00 57.85 57.89 3i9c n ARG 17 Cb 0.00 -2.30 -0.00 0.00 0.45 0.00 0.00 32.46 30.61 3i9c n ARG 17 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 3i9c h LEU 18 N 0.00 0.00 -1.94 6.15 7.12 -1.35 -3.16 115.31 122.13 3i9c h LEU 18 Ca 0.73 0.00 0.34 0.00 0.13 0.00 0.00 57.88 59.08 3i9c h LEU 18 Cb 3.22 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 43.30 3i9c h LEU 18 CO -0.01 0.55 0.84 0.00 -0.13 0.00 0.00 178.44 179.70 3i9c h ALA 19 N -1.01 3.05 0.97 1.25 0.00 -0.01 0.21 119.26 123.73 3i9c h ALA 19 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3i9c h ALA 19 Cb 0.11 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.00 3i9c h ALA 19 CO 0.00 -1.40 -0.47 1.25 0.00 0.00 0.00 179.25 178.63 3i9c h LEU 20 N 0.03 -1.11 -0.67 0.00 5.85 -0.93 -1.58 115.31 116.91 3i9c h LEU 20 Ca 0.57 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.47 3i9c h LEU 20 Cb 2.21 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 43.42 3i9c h LEU 20 CO -0.04 -0.79 0.10 1.88 -0.34 0.00 0.00 178.44 179.25 3i9c h TYR 21 N -1.31 0.14 -0.23 1.25 0.99 -0.58 -1.98 116.97 115.26 3i9c h TYR 21 Ca -0.13 0.04 0.05 0.00 2.00 0.00 0.00 58.73 60.69 3i9c h TYR 21 Cb 1.00 0.04 -0.05 0.00 1.00 0.00 0.00 36.73 38.73 3i9c h TYR 21 CO -0.00 -0.11 -0.07 0.00 -0.00 0.00 0.00 178.16 177.98 3i9c h ARG 22 N 0.21 -0.02 0.00 4.88 3.08 -1.01 -1.65 114.38 119.87 3i9c h ARG 22 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 3i9c h ARG 22 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3i9c h ARG 22 CO -0.50 -0.01 0.00 -0.91 -1.07 0.00 0.00 179.97 177.48 3i9c h ASN 23 N -0.02 0.00 0.00 7.04 -0.26 -0.55 -1.34 115.58 120.45 3i9c h ASN 23 Ca 0.11 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.77 3i9c h ASN 23 Cb 0.19 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 3i9c h ASN 23 CO -0.25 0.00 -0.48 1.56 -1.06 0.00 0.00 177.43 177.20 3i9c h GLN 24 N 0.00 0.00 -0.43 0.81 4.20 -1.16 -3.14 115.11 115.39 3i9c h GLN 24 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 3i9c h GLN 24 Cb 0.44 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3i9c h GLN 24 CO 0.00 0.80 0.30 0.00 -0.67 0.00 0.00 178.83 179.26 3i9c h ALA 25 N -0.37 2.17 -0.22 3.87 0.00 -1.25 0.29 119.26 123.75 3i9c h ALA 25 Ca -0.12 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.65 3i9c h ALA 25 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3i9c h ALA 25 CO -0.07 -0.28 -0.40 0.87 0.00 0.00 0.00 179.25 179.37 3i9c h LYS 26 N 0.17 0.51 0.14 0.00 1.57 -1.35 -1.81 116.57 115.80 3i9c h LYS 26 Ca 0.20 -0.25 -0.30 0.00 -1.87 0.00 0.00 60.65 58.43 3i9c h LYS 26 Cb 0.56 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.90 3i9c h LYS 26 CO -0.03 0.82 -1.24 0.77 -0.57 0.00 0.00 179.45 179.20 3i9c h SER 27 N 0.42 0.85 -0.01 0.86 0.02 -0.90 -3.12 113.55 111.67 3i9c h SER 27 Ca 0.04 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 3i9c h SER 27 Cb 0.88 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 3i9c h SER 27 CO 0.08 1.61 0.01 0.25 -1.14 0.00 0.00 176.83 177.63 3i9c h LEU 28 N 0.21 0.00 -3.27 5.07 7.12 -0.51 0.41 115.31 124.34 3i9c h LEU 28 Ca -0.20 0.00 -0.31 0.00 0.13 0.00 0.00 57.88 57.50 3i9c h LEU 28 Cb 1.93 0.00 -0.19 0.00 -0.53 0.00 0.00 40.66 41.87 3i9c h LEU 28 CO 0.24 0.00 0.40 0.18 -0.13 0.00 0.00 178.44 179.12 3i9c n LEU 29 N -4.48 5.37 0.00 2.25 4.32 -0.69 -1.41 117.00 122.36 3i9c n LEU 29 Ca -0.03 -2.83 0.00 0.00 -0.02 0.00 0.00 56.01 53.13 3i9c n LEU 29 Cb 0.10 -0.72 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 3i9c n LEU 29 CO 0.34 0.83 -0.10 0.41 -1.22 0.00 0.00 177.39 177.64 3i9c n THR 30 N -0.50 0.00 0.07 -5.08 -1.04 0.12 -4.89 114.28 102.96 3i9c n THR 30 Ca 0.38 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.43 3i9c n THR 30 Cb 1.25 -0.12 -0.06 0.00 -1.82 0.00 0.00 70.33 69.57 3i9c n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3i9c n HIS 31 N -1.54 0.00 0.00 -1.42 8.25 0.32 -5.02 115.22 115.82 3i9c n HIS 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i9c n HIS 31 Cb 0.10 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.05 3i9c n HIS 31 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3i9c n GLY 32 N 1.85 1.38 3.13 -1.41 0.00 -0.50 -4.88 105.19 104.76 3i9c n GLY 32 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3i9c n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9c s ARG 33 N 0.00 2.43 0.02 1.61 0.52 -1.25 -1.98 118.95 120.30 3i9c s ARG 33 Ca 0.00 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 3i9c s ARG 33 Cb 0.00 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.56 3i9c s ARG 33 CO 0.00 0.10 -0.05 0.42 0.02 0.00 0.00 175.30 175.79 3i9c s ILE 34 N 0.51 0.32 -0.20 1.52 -1.09 0.46 -4.97 121.20 117.77 3i9c s ILE 34 Ca -0.16 -0.77 0.01 0.00 -2.23 0.00 0.00 60.65 57.50 3i9c s ILE 34 Cb -0.17 -0.39 0.02 0.00 -1.58 0.00 0.00 42.46 40.35 3i9c s ILE 34 CO 0.06 -0.30 -0.17 -0.89 -1.23 0.00 0.00 174.94 172.41 3i9c s THR 35 N -1.05 2.18 0.00 2.92 2.01 -1.26 -0.36 115.64 120.08 3i9c s THR 35 Ca -0.09 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.90 3i9c s THR 35 Cb -0.08 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.46 3i9c s THR 35 CO -0.00 0.44 0.00 0.35 -0.69 0.00 0.00 174.62 174.72 3i9c n THR 36 N 4.61 0.00 -2.59 -0.82 -2.24 -1.20 -4.95 114.28 107.08 3i9c n THR 36 Ca -0.20 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 3i9c n THR 36 Cb 0.49 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.67 3i9c n THR 36 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3i9c s THR 37 N -1.13 3.79 0.28 4.28 2.01 -1.26 -0.72 115.64 122.88 3i9c s THR 37 Ca 0.00 1.75 -0.00 0.00 0.31 0.00 0.00 61.69 63.75 3i9c s THR 37 Cb 0.00 -4.11 0.30 0.00 0.01 0.00 0.00 72.50 68.70 3i9c s THR 37 CO 0.00 0.40 1.64 0.58 -0.69 0.00 0.00 174.62 176.55 3i9c h VAL 38 N 3.25 0.32 -0.05 3.82 2.07 -1.82 0.37 116.25 124.21 3i9c h VAL 38 Ca -0.46 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 3i9c h VAL 38 Cb 1.21 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3i9c h VAL 38 CO 0.68 0.03 -0.14 -0.65 0.02 0.00 0.00 177.57 177.52 3i9c h PRO 39 N 0.19 0.18 0.00 1.57 0.11 -1.92 0.26 132.00 132.39 3i9c h PRO 39 Ca 0.51 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 66.50 3i9c h PRO 39 Cb 1.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3i9c h PRO 39 CO -0.66 0.75 0.41 0.87 -0.21 0.00 0.00 178.00 179.16 3i9c h LYS 40 N -0.35 0.00 0.00 1.05 1.57 -1.29 -1.62 116.57 115.93 3i9c h LYS 40 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3i9c h LYS 40 Cb 0.76 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 3i9c h LYS 40 CO 0.03 0.00 -0.91 0.00 -0.57 0.00 0.00 179.45 178.00 3i9c n ALA 41 N -1.57 0.78 0.23 3.86 0.00 0.11 -3.43 120.51 120.49 3i9c n ALA 41 Ca -0.01 -0.72 0.13 0.00 0.00 0.00 0.00 53.44 52.84 3i9c n ALA 41 Cb 0.43 0.02 0.52 0.00 0.00 0.00 0.00 19.45 20.42 3i9c n ALA 41 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i9c h LYS 42 N -1.00 0.00 0.08 0.00 1.57 0.27 0.85 116.57 118.34 3i9c h LYS 42 Ca -0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.41 3i9c h LYS 42 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 3i9c h LYS 42 CO -0.01 0.00 -1.99 -1.91 -0.57 0.00 0.00 179.45 174.97 3i9c n GLU 43 N -2.94 0.72 -0.07 3.15 4.07 -0.68 -4.32 120.64 120.56 3i9c n GLU 43 Ca 0.03 0.25 0.05 0.00 -0.06 0.00 0.00 57.16 57.43 3i9c n GLU 43 Cb 0.73 -1.71 0.40 0.00 -0.06 0.00 0.00 31.44 30.81 3i9c n GLU 43 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3i9c h LEU 44 N 0.05 0.54 0.04 4.31 7.12 0.71 -3.33 115.31 124.73 3i9c h LEU 44 Ca -0.41 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.59 3i9c h LEU 44 Cb 2.03 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 42.03 3i9c h LEU 44 CO 0.07 0.37 -0.02 0.08 -0.13 0.00 0.00 178.44 178.81 3i9c h ARG 45 N 0.62 -0.05 -1.09 1.25 0.11 -1.67 -2.45 114.38 111.11 3i9c h ARG 45 Ca 0.22 0.00 0.43 0.00 0.10 0.00 0.00 59.98 60.73 3i9c h ARG 45 Cb 0.09 0.01 -0.16 0.00 1.11 0.00 0.00 29.97 31.02 3i9c h ARG 45 CO -0.06 -0.03 0.63 0.41 0.10 0.00 0.00 179.97 181.02 3i9c n GLY 46 N -0.93 -0.76 0.23 0.08 0.00 -1.25 0.88 105.19 103.44 3i9c n GLY 46 Ca -0.01 0.78 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 3i9c n GLY 46 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3i9c h PHE 47 N 0.00 0.90 0.00 1.61 3.57 -1.68 -1.77 116.94 119.58 3i9c h PHE 47 Ca 0.84 -0.22 -0.18 0.00 3.53 0.00 0.00 57.97 61.94 3i9c h PHE 47 Cb 2.38 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.89 3i9c h PHE 47 CO -0.01 0.97 -0.83 0.28 -2.23 0.00 0.00 178.31 176.49 3i9c h VAL 48 N 0.58 1.58 0.37 1.41 2.07 0.34 -2.52 116.25 120.09 3i9c h VAL 48 Ca 0.08 -2.80 -0.02 0.00 0.82 0.00 0.00 66.70 64.78 3i9c h VAL 48 Cb 0.73 2.52 -0.00 0.00 -1.52 0.00 0.00 31.29 33.02 3i9c h VAL 48 CO 0.05 0.80 -0.22 0.44 0.02 0.00 0.00 177.57 178.67 3i9c h ASP 49 N 0.01 -0.56 -0.45 0.57 5.19 0.69 0.15 116.42 122.03 3i9c h ASP 49 Ca -0.01 0.03 0.13 0.00 -0.62 0.00 0.00 57.03 56.56 3i9c h ASP 49 Cb 1.47 0.16 -0.02 0.00 0.18 0.00 0.00 39.33 41.12 3i9c h ASP 49 CO 0.11 -0.34 0.43 -0.74 -3.12 0.00 0.00 179.24 175.58 3i9c h HIS 50 N -0.55 0.00 -0.10 4.55 2.76 -1.40 0.47 115.15 120.88 3i9c h HIS 50 Ca -0.05 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.96 3i9c h HIS 50 Cb 0.44 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 3i9c h HIS 50 CO 0.03 0.00 -0.61 1.25 -1.30 0.00 0.00 177.93 177.29 3i9c h LEU 51 N 0.00 0.40 0.16 0.26 6.46 -0.87 -2.76 115.31 118.95 3i9c h LEU 51 Ca 0.21 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 3i9c h LEU 51 Cb 1.08 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.89 3i9c h LEU 51 CO -0.00 0.91 -0.08 0.40 -0.62 0.00 0.00 178.44 179.05 3i9c h ILE 52 N 0.26 0.00 -0.99 4.05 1.08 0.28 -3.22 117.51 118.96 3i9c h ILE 52 Ca -0.01 -0.40 0.27 0.00 -0.39 0.00 0.00 64.86 64.34 3i9c h ILE 52 Cb 1.14 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.84 3i9c h ILE 52 CO 0.10 0.00 0.69 -0.74 -0.69 0.00 0.00 178.15 177.51 3i9c h HIS 53 N -0.61 0.22 -0.33 1.37 2.76 -1.41 1.42 115.15 118.57 3i9c h HIS 53 Ca -0.02 0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.06 3i9c h HIS 53 Cb 0.16 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3i9c h HIS 53 CO 0.03 0.03 -0.21 1.25 -1.30 0.00 0.00 177.93 177.74 3i9c h LEU 54 N 0.14 0.62 -1.51 0.26 5.85 -1.60 -2.22 115.31 116.86 3i9c h LEU 54 Ca 0.50 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3i9c h LEU 54 Cb 1.71 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.57 3i9c h LEU 54 CO -0.09 0.83 -0.10 0.00 -0.34 0.00 0.00 178.44 178.74 3i9c h ALA 55 N 1.22 1.05 0.00 1.25 0.00 0.19 -2.59 119.26 120.39 3i9c h ALA 55 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i9c h ALA 55 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3i9c h ALA 55 CO 0.05 0.13 0.00 1.63 0.00 0.00 0.00 179.25 181.05 3i9c n LYS 56 N -3.29 0.89 -0.00 0.00 5.02 -0.73 -2.06 118.16 117.98 3i9c n LYS 56 Ca -0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 3i9c n LYS 56 Cb 0.32 -1.17 -0.12 0.00 -0.02 0.00 0.00 35.03 34.05 3i9c n LYS 56 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i9c n ARG 57 N -0.67 0.94 0.00 1.97 1.74 -0.97 -4.97 116.66 114.70 3i9c n ARG 57 Ca 0.07 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3i9c n ARG 57 Cb 0.03 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3i9c n ARG 57 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i9c n GLY 58 N 1.46 0.00 3.67 -0.13 0.00 -0.88 -4.90 105.19 104.42 3i9c n GLY 58 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3i9c n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i9c n ASP 59 N 0.00 2.57 -0.43 1.61 3.85 -1.26 -4.69 116.55 118.19 3i9c n ASP 59 Ca 0.00 1.18 0.38 0.00 -0.71 0.00 0.00 54.79 55.64 3i9c n ASP 59 Cb 0.00 -1.43 0.65 0.00 -1.35 0.00 0.00 41.12 38.99 3i9c n ASP 59 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3i9c n LEU 60 N 1.43 0.24 0.13 -2.12 7.94 -1.26 -0.16 117.00 123.21 3i9c n LEU 60 Ca 0.08 1.45 -0.07 0.00 -1.11 0.00 0.00 56.01 56.36 3i9c n LEU 60 Cb 0.33 -0.71 -0.03 0.00 0.53 0.00 0.00 43.42 43.54 3i9c n LEU 60 CO 0.62 -1.58 0.51 -0.74 -1.11 0.00 0.00 177.39 175.09 3i9c h HIS 61 N 0.00 -0.48 -1.19 1.96 2.76 -1.98 0.24 115.15 116.46 3i9c h HIS 61 Ca 0.87 -0.00 0.38 0.00 -2.20 0.00 0.00 60.37 59.42 3i9c h HIS 61 Cb 2.69 0.18 -0.13 0.00 1.55 0.00 0.00 27.41 31.70 3i9c h HIS 61 CO -0.01 -0.25 0.75 0.00 -1.30 0.00 0.00 177.93 177.12 3i9c h ALA 62 N -1.57 2.48 0.46 5.26 0.00 -0.87 0.33 119.26 125.35 3i9c h ALA 62 Ca -0.03 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3i9c h ALA 62 Cb 0.33 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i9c h ALA 62 CO 0.01 -1.06 -0.22 -0.09 0.00 0.00 0.00 179.25 177.89 3i9c h ARG 63 N 0.19 -0.60 -0.96 0.00 2.43 -0.79 0.32 114.38 114.97 3i9c h ARG 63 Ca 0.76 0.04 0.36 0.00 -0.81 0.00 0.00 59.98 60.33 3i9c h ARG 63 Cb 2.18 0.14 -0.17 0.00 -0.42 0.00 0.00 29.97 31.69 3i9c h ARG 63 CO -0.44 -0.40 0.38 0.54 -1.51 0.00 0.00 179.97 178.54 3i9c n ARG 64 N -3.93 -0.06 0.10 0.20 5.12 0.10 -0.14 116.66 118.05 3i9c n ARG 64 Ca -0.08 1.35 -0.08 0.00 -1.93 0.00 0.00 57.85 57.12 3i9c n ARG 64 Cb 0.25 -2.35 -0.05 0.00 -1.16 0.00 0.00 32.46 29.15 3i9c n ARG 64 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3i9c h LEU 65 N 0.00 -0.28 -1.97 0.55 4.07 -0.88 -3.20 115.31 113.60 3i9c h LEU 65 Ca 0.75 -0.12 0.20 0.00 0.08 0.00 0.00 57.88 58.79 3i9c h LEU 65 Cb 1.89 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.67 3i9c h LEU 65 CO -0.78 0.21 0.55 0.58 -1.08 0.00 0.00 178.44 177.92 3i9c h VAL 66 N -1.03 0.52 0.00 1.22 2.07 0.83 1.54 116.25 121.39 3i9c h VAL 66 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i9c h VAL 66 Cb 0.39 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3i9c h VAL 66 CO 0.06 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.90 3i9c h LEU 67 N 0.00 0.00 -0.19 2.57 7.12 -0.53 -2.95 115.31 121.33 3i9c h LEU 67 Ca 0.33 0.00 -0.05 0.00 0.13 0.00 0.00 57.88 58.30 3i9c h LEU 67 Cb 1.43 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.56 3i9c h LEU 67 CO -0.00 0.00 -0.06 0.03 -0.13 0.00 0.00 178.44 178.28 3i9c h ARG 68 N 0.00 0.38 -1.18 1.25 3.08 0.22 -1.63 114.38 116.50 3i9c h ARG 68 Ca 0.00 -0.15 -0.70 0.00 0.07 0.00 0.00 59.98 59.20 3i9c h ARG 68 Cb 0.35 -0.02 -0.29 0.00 0.08 0.00 0.00 29.97 30.09 3i9c h ARG 68 CO 0.00 0.65 0.89 -0.25 -1.07 0.00 0.00 179.97 180.19 3i9c n ASP 69 N -4.62 7.65 0.00 7.04 10.43 -1.12 -4.52 116.55 131.41 3i9c n ASP 69 Ca -0.05 -3.80 0.00 0.00 2.57 0.00 0.00 54.79 53.51 3i9c n ASP 69 Cb 0.29 -0.99 0.00 0.00 1.84 0.00 0.00 41.12 42.26 3i9c n ASP 69 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3i9c n LEU 70 N -0.85 0.00 0.00 0.64 4.77 -1.21 -4.87 117.00 115.48 3i9c n LEU 70 Ca 0.61 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3i9c n LEU 70 Cb 0.58 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3i9c n LEU 70 CO 0.74 -0.26 0.00 0.00 -1.33 0.00 0.00 177.39 176.54 3i9c n GLN 71 N -2.02 0.00 -2.72 3.23 3.00 -0.62 -4.92 117.38 113.33 3i9c n GLN 71 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3i9c n GLN 71 Cb 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 30.24 29.61 3i9c n GLN 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i9c s ASP 72 N 0.00 6.33 0.26 1.08 3.68 -1.26 -4.85 116.67 121.91 3i9c s ASP 72 Ca 0.00 -0.28 -0.01 0.00 2.13 0.00 0.00 52.55 54.39 3i9c s ASP 72 Cb 0.00 -2.49 0.55 0.00 -1.45 0.00 0.00 42.92 39.53 3i9c s ASP 72 CO 0.00 -1.42 1.74 0.58 0.13 0.00 0.00 175.17 176.21 3i9c h VAL 73 N 6.06 0.67 0.00 1.11 2.07 -1.97 0.71 116.25 124.89 3i9c h VAL 73 Ca -0.26 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3i9c h VAL 73 Cb 1.06 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 3i9c h VAL 73 CO 1.16 0.10 0.00 1.17 0.02 0.00 0.00 177.57 180.01 3i9c n LYS 74 N -4.93 0.00 -0.33 1.57 3.00 -1.26 -1.22 118.16 114.99 3i9c n LYS 74 Ca 0.17 0.62 0.33 0.00 -0.00 0.00 0.00 58.31 59.43 3i9c n LYS 74 Cb 0.47 -1.41 0.70 0.00 0.00 0.00 0.00 35.03 34.78 3i9c n LYS 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3i9c h LEU 75 N 0.00 0.10 -0.07 3.14 7.12 -1.69 -1.18 115.31 122.73 3i9c h LEU 75 Ca 0.00 0.02 -0.04 0.00 0.13 0.00 0.00 57.88 58.00 3i9c h LEU 75 Cb 0.00 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 40.14 3i9c h LEU 75 CO 0.00 0.01 -0.09 1.62 -0.13 0.00 0.00 178.44 179.85 3i9c h VAL 76 N 0.08 1.39 0.55 1.05 3.04 0.11 -2.36 116.25 120.11 3i9c h VAL 76 Ca 0.58 -1.32 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 3i9c h VAL 76 Cb 2.12 2.11 -0.00 0.00 -2.01 0.00 0.00 31.29 33.51 3i9c h VAL 76 CO -0.08 0.37 -0.32 0.03 -1.01 0.00 0.00 177.57 176.56 3i9c h ARG 77 N -0.28 -0.79 -0.96 4.17 3.08 0.07 -0.09 114.38 119.59 3i9c h ARG 77 Ca 0.01 0.05 0.31 0.00 0.07 0.00 0.00 59.98 60.42 3i9c h ARG 77 Cb 0.64 0.18 -0.16 0.00 0.08 0.00 0.00 29.97 30.70 3i9c h ARG 77 CO 0.02 -0.52 0.33 -0.22 -1.07 0.00 0.00 179.97 178.51 3i9c h LYS 78 N -0.82 0.12 0.85 0.04 3.64 -1.51 0.18 116.57 119.07 3i9c h LYS 78 Ca -0.07 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.26 3i9c h LYS 78 Cb 0.66 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3i9c h LYS 78 CO 0.08 0.08 -0.41 1.25 -2.27 0.00 0.00 179.45 178.18 3i9c h LEU 79 N 0.13 -0.97 0.34 5.20 6.46 -0.68 -2.54 115.31 123.25 3i9c h LEU 79 Ca 0.68 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 58.46 3i9c h LEU 79 Cb 1.55 0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.74 3i9c h LEU 79 CO -0.74 -0.69 -0.16 -0.26 -0.62 0.00 0.00 178.44 175.96 3i9c h PHE 80 N -1.14 -0.42 -0.82 1.25 0.05 0.11 -0.39 116.94 115.57 3i9c h PHE 80 Ca -0.12 -0.01 -0.47 0.00 3.82 0.00 0.00 57.97 61.20 3i9c h PHE 80 Cb 0.88 0.14 -0.19 0.00 2.00 0.00 0.00 35.95 38.78 3i9c h PHE 80 CO -0.01 -0.26 0.55 -0.40 -0.18 0.00 0.00 178.31 178.00 3i9c n ASP 81 N -3.39 6.80 0.00 2.17 5.68 -0.40 -3.70 116.55 123.71 3i9c n ASP 81 Ca -0.06 -3.30 0.00 0.00 -0.50 0.00 0.00 54.79 50.93 3i9c n ASP 81 Cb 0.18 -1.08 0.00 0.00 -1.14 0.00 0.00 41.12 39.07 3i9c n ASP 81 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3i9c n GLU 82 N 0.15 0.00 -0.07 0.11 2.13 -1.20 -4.95 120.64 116.82 3i9c n GLU 82 Ca 0.43 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 58.10 3i9c n GLU 82 Cb 0.57 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.23 3i9c n GLU 82 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3i9c n ILE 83 N 0.00 0.82 -0.16 6.31 5.41 -0.96 -4.60 119.36 126.18 3i9c n ILE 83 Ca 0.00 -0.17 -0.02 0.00 1.00 0.00 0.00 62.75 63.56 3i9c n ILE 83 Cb 0.00 -1.71 0.07 0.00 -0.71 0.00 0.00 39.64 37.28 3i9c n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i9c h ALA 84 N -0.52 0.51 -0.56 -1.39 0.00 -1.15 -2.29 119.26 113.87 3i9c h ALA 84 Ca -0.35 0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.82 3i9c h ALA 84 Cb 1.27 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 3i9c h ALA 84 CO -0.21 -0.37 -0.16 -1.35 0.00 0.00 0.00 179.25 177.16 3i9c h PRO 85 N 0.15 -0.03 -0.06 0.00 0.11 -1.84 0.09 132.00 130.43 3i9c h PRO 85 Ca 0.26 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.39 3i9c h PRO 85 Cb 0.39 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3i9c h PRO 85 CO -0.40 -0.02 0.81 0.00 -0.21 0.00 0.00 178.00 178.18 3i9c h ARG 86 N -0.03 0.00 0.00 1.05 3.08 -1.66 0.52 114.38 117.35 3i9c h ARG 86 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3i9c h ARG 86 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3i9c h ARG 86 CO -0.59 0.00 -0.00 0.66 -1.07 0.00 0.00 179.97 178.97 3i9c n TYR 87 N -2.67 0.00 -0.30 3.04 4.01 -0.01 -4.84 117.16 116.39 3i9c n TYR 87 Ca 0.01 -0.47 0.02 0.00 -0.16 0.00 0.00 57.90 57.30 3i9c n TYR 87 Cb 0.84 -0.05 0.08 0.00 -0.31 0.00 0.00 39.34 39.90 3i9c n TYR 87 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3i9c n ARG 88 N -0.48 -0.13 0.11 -0.72 0.00 0.18 -0.18 116.66 115.45 3i9c n ARG 88 Ca 0.00 1.27 0.01 0.00 -0.00 0.00 0.00 57.85 59.13 3i9c n ARG 88 Cb 0.28 -1.89 -0.02 0.00 0.00 0.00 0.00 32.46 30.83 3i9c n ARG 88 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 3i9c h ASP 89 N 0.00 0.00 -3.95 6.15 3.32 -1.88 -3.47 116.42 116.59 3i9c h ASP 89 Ca 0.35 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.86 3i9c h ASP 89 Cb 0.55 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.19 3i9c h ASP 89 CO -0.83 0.59 0.67 -0.60 -1.72 0.00 0.00 179.24 177.35 3i9c s ARG 90 N -2.91 3.95 -0.71 3.56 3.52 0.75 -5.00 118.95 122.10 3i9c s ARG 90 Ca 0.02 2.30 0.01 0.00 -0.13 0.00 0.00 55.73 57.94 3i9c s ARG 90 Cb 0.08 -2.79 0.18 0.00 -1.56 0.00 0.00 34.95 30.86 3i9c s ARG 90 CO 0.77 -0.56 0.53 -1.14 -0.81 0.00 0.00 175.30 174.09 3i9c s GLN 91 N -2.23 2.65 0.00 5.12 0.74 -1.26 -5.02 119.66 119.66 3i9c s GLN 91 Ca 0.57 -3.04 0.00 0.00 0.05 0.00 0.00 55.36 52.94 3i9c s GLN 91 Cb -0.41 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.07 3i9c s GLN 91 CO 0.54 -1.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.46 3i9c n GLY 92 N 2.58 -0.60 2.19 2.59 0.00 -1.26 -5.01 105.19 105.69 3i9c n GLY 92 Ca 0.15 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 3i9c n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i9c n GLY 93 N 0.00 -0.01 0.17 -0.02 0.00 -1.26 -4.69 105.19 99.37 3i9c n GLY 93 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3i9c n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i9c n TYR 94 N -0.97 0.00 -3.68 1.61 4.02 -1.26 -4.67 117.16 112.22 3i9c n TYR 94 Ca -0.01 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.76 3i9c n TYR 94 Cb 0.03 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 39.27 3i9c n TYR 94 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3i9c s THR 95 N -1.67 0.06 0.02 -0.72 -1.32 -1.26 -3.69 115.64 107.06 3i9c s THR 95 Ca 0.00 -0.50 -0.01 0.00 -1.21 0.00 0.00 61.69 59.97 3i9c s THR 95 Cb 0.00 -0.96 -0.02 0.00 -1.51 0.00 0.00 72.50 70.02 3i9c s THR 95 CO 0.00 -0.28 -0.00 -0.60 -2.21 0.00 0.00 174.62 171.53 3i9c s ARG 96 N -2.54 0.37 -0.06 7.08 3.52 -0.51 -4.84 118.95 121.97 3i9c s ARG 96 Ca -0.05 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 54.95 3i9c s ARG 96 Cb -0.01 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.52 3i9c s ARG 96 CO -0.03 -0.07 -0.16 0.08 -0.81 0.00 0.00 175.30 174.31 3i9c s VAL 97 N -1.67 1.41 -0.06 7.11 1.01 -1.25 -1.89 120.40 125.05 3i9c s VAL 97 Ca -0.14 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.21 3i9c s VAL 97 Cb -0.08 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 35.06 3i9c s VAL 97 CO -0.01 0.41 -0.18 -0.76 0.00 0.00 0.00 175.10 174.56 3i9c s LEU 98 N 0.35 1.90 0.17 3.92 1.43 0.06 -4.89 118.68 121.61 3i9c s LEU 98 Ca -0.11 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 3i9c s LEU 98 Cb -0.14 -1.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.92 3i9c s LEU 98 CO 0.04 0.13 1.17 -0.54 0.23 0.00 0.00 176.35 177.38 3i9c s LYS 99 N 0.26 4.51 -0.29 1.70 -0.14 -1.26 0.19 119.74 124.71 3i9c s LYS 99 Ca -0.10 1.82 -0.08 0.00 -1.36 0.00 0.00 55.97 56.25 3i9c s LYS 99 Cb -0.14 -3.26 -0.00 0.00 -1.68 0.00 0.00 37.83 32.74 3i9c s LYS 99 CO 0.04 -0.07 0.10 -0.51 -0.76 0.00 0.00 175.35 174.16 3i9c s LEU 100 N -0.11 3.88 -0.85 3.17 1.43 -0.88 -4.90 118.68 120.43 3i9c s LEU 100 Ca 0.53 -0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 3i9c s LEU 100 Cb -0.31 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 43.94 3i9c s LEU 100 CO 0.35 -0.17 1.94 0.00 0.23 0.00 0.00 176.35 178.69 3i9c s ALA 101 N 1.55 1.74 0.00 4.21 0.00 -1.26 -4.51 121.76 123.50 3i9c s ALA 101 Ca 0.04 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.65 3i9c s ALA 101 Cb -0.17 -4.51 0.00 0.00 0.00 0.00 0.00 23.12 18.44 3i9c s ALA 101 CO 0.04 -4.66 0.00 -0.85 0.00 0.00 0.00 175.76 170.28 3i9c n GLU 102 N 8.91 0.00 0.00 0.00 0.28 -1.26 -5.14 120.64 123.43 3i9c n GLU 102 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 3i9c n GLU 102 Cb 0.48 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.35 3i9c n GLU 102 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3i9c n ARG 103 N -0.09 2.68 -4.66 3.44 5.12 -1.26 -3.99 116.66 117.91 3i9c n ARG 103 Ca 0.00 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.61 3i9c n ARG 103 Cb 0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 32.46 31.13 3i9c n ARG 103 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3i9c s ARG 104 N 2.01 2.78 -0.50 5.56 3.52 -1.26 -4.81 118.95 126.25 3i9c s ARG 104 Ca 0.00 -0.77 -0.27 0.00 -0.13 0.00 0.00 55.73 54.56 3i9c s ARG 104 Cb 0.00 -2.26 -0.03 0.00 -1.56 0.00 0.00 34.95 31.10 3i9c s ARG 104 CO 0.00 -0.01 2.00 0.50 -0.81 0.00 0.00 175.30 176.98 3i9c s ARG 105 N 0.82 2.67 0.00 5.12 3.00 -1.26 -0.21 118.95 129.09 3i9c s ARG 105 Ca -0.08 1.05 0.00 0.00 -1.00 0.00 0.00 55.73 55.70 3i9c s ARG 105 Cb -0.16 -4.40 0.00 0.00 0.00 0.00 0.00 34.95 30.40 3i9c s ARG 105 CO -0.01 -2.66 0.00 0.41 0.00 0.00 0.00 175.30 173.05 3i9c n GLY 106 N 5.72 0.69 0.00 8.12 0.00 -1.26 -4.85 105.19 113.62 3i9c n GLY 106 Ca 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3i9c n GLY 106 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i9c n ASP 107 N 0.00 0.00 -3.32 1.61 3.85 -1.22 -4.97 116.55 112.50 3i9c n ASP 107 Ca 0.00 0.00 -0.16 0.00 -0.71 0.00 0.00 54.79 53.92 3i9c n ASP 107 Cb 0.00 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 3i9c n ASP 107 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3i9c n GLY 108 N 0.00 -0.75 3.42 6.12 0.00 0.71 -4.87 105.19 109.82 3i9c n GLY 108 Ca 0.00 0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.97 3i9c n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9c s ALA 109 N -2.70 3.31 0.09 4.61 0.00 -1.26 -4.64 121.76 121.17 3i9c s ALA 109 Ca 0.02 -1.56 -0.36 0.00 0.00 0.00 0.00 51.96 50.06 3i9c s ALA 109 Cb -0.01 -2.54 -0.17 0.00 0.00 0.00 0.00 23.12 20.40 3i9c s ALA 109 CO 0.53 -1.17 1.30 -0.35 0.00 0.00 0.00 175.76 176.07 3i9c n PRO 110 N 5.01 1.08 -4.14 0.00 -0.04 -1.26 -4.00 135.00 131.65 3i9c n PRO 110 Ca -0.13 0.39 -0.22 0.00 -0.04 0.00 0.00 63.50 63.50 3i9c n PRO 110 Cb 0.48 -2.00 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 3i9c n PRO 110 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3i9c s LEU 111 N 0.49 3.66 0.00 1.53 1.43 -1.26 -3.15 118.68 121.38 3i9c s LEU 111 Ca 0.83 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 3i9c s LEU 111 Cb -0.96 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.07 3i9c s LEU 111 CO 0.48 -0.05 0.17 0.00 0.23 0.00 0.00 176.35 177.19 3i9c n ALA 112 N -1.12 0.14 -2.81 4.21 0.00 0.10 -2.07 120.51 118.96 3i9c n ALA 112 Ca -0.07 -0.85 -0.26 0.00 0.00 0.00 0.00 53.44 52.25 3i9c n ALA 112 Cb 0.58 0.69 -0.16 0.00 0.00 0.00 0.00 19.45 20.56 3i9c n ALA 112 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3i9c s LEU 113 N 0.00 1.95 -0.17 0.00 2.96 0.52 -3.27 118.68 120.67 3i9c s LEU 113 Ca 0.17 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.73 3i9c s LEU 113 Cb 0.00 -1.00 0.02 0.00 0.50 0.00 0.00 46.19 45.72 3i9c s LEU 113 CO 0.12 0.17 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.44 3i9c s VAL 114 N -0.07 1.98 0.05 1.68 1.01 0.52 -0.76 120.40 124.81 3i9c s VAL 114 Ca -0.02 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3i9c s VAL 114 Cb -0.11 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3i9c s VAL 114 CO 0.02 0.53 -0.07 -0.70 0.00 0.00 0.00 175.10 174.88 3i9c s GLU 115 N 1.29 0.59 -0.46 2.72 2.12 -0.79 -0.40 118.70 123.77 3i9c s GLU 115 Ca 0.04 -0.91 -0.19 0.00 0.36 0.00 0.00 54.97 54.27 3i9c s GLU 115 Cb -0.13 -0.21 0.04 0.00 0.26 0.00 0.00 34.13 34.08 3i9c s GLU 115 CO -0.12 0.02 0.56 -0.51 -0.54 0.00 0.00 175.26 174.67 3i9c s LEU 116 N -2.00 4.82 0.01 2.70 1.43 -0.84 -1.43 118.68 123.37 3i9c s LEU 116 Ca -0.04 -0.68 -0.35 0.00 -1.03 0.00 0.00 54.13 52.03 3i9c s LEU 116 Cb -0.05 -2.50 -0.18 0.00 0.03 0.00 0.00 46.19 43.49 3i9c s LEU 116 CO -0.02 -0.75 0.92 0.55 0.23 0.00 0.00 176.35 177.29 3i9c n VAL 117 N 5.61 0.11 0.00 -1.59 3.14 -1.24 -5.00 118.33 119.37 3i9c n VAL 117 Ca -0.05 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 3i9c n VAL 117 Cb 0.47 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 3i9c n VAL 117 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58