#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n ARG 3 N 0.00 0.58 0.00 0.00 3.00 -1.26 -4.59 116.66 114.39 3i9b n ARG 3 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 57.85 57.01 3i9b n ARG 3 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 32.46 30.26 3i9b n ARG 3 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3i9b n ILE 4 N 5.05 0.00 0.00 5.15 3.06 -0.63 -4.60 119.36 127.39 3i9b n ILE 4 Ca 0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.43 3i9b n ILE 4 Cb 0.09 -0.18 0.00 0.00 0.54 0.00 0.00 39.64 40.09 3i9b n ILE 4 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3i9b n ALA 5 N -1.27 0.00 0.64 1.51 0.00 -1.26 -4.80 120.51 115.33 3i9b n ALA 5 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3i9b n ALA 5 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3i9b n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9b n GLY 6 N 3.63 -0.45 3.72 0.00 0.00 -1.26 -4.98 105.19 105.84 3i9b n GLY 6 Ca 0.00 -0.42 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 3i9b n GLY 6 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i9b n VAL 7 N -1.43 0.00 0.00 1.61 0.24 -1.26 -5.10 118.33 112.39 3i9b n VAL 7 Ca 0.02 -2.16 0.00 0.00 -2.04 0.00 0.00 64.34 60.16 3i9b n VAL 7 Cb 0.25 0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 3i9b n VAL 7 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3i9b n GLU 8 N -1.71 0.00 0.00 7.34 2.13 -1.26 -1.60 120.64 125.53 3i9b n GLU 8 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 3i9b n GLU 8 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 3i9b n GLU 8 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3i9b n ILE 9 N -0.05 0.00 0.00 6.31 2.08 -1.26 -4.78 119.36 121.66 3i9b n ILE 9 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i9b n ILE 9 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3i9b n ILE 9 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 3i9b n PRO 10 N 0.00 0.00 -1.35 0.38 -0.02 -1.26 -4.90 135.00 127.85 3i9b n PRO 10 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 3i9b n PRO 10 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 33.71 3i9b n PRO 10 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i9b s ARG 11 N 0.00 -0.86 0.00 -0.52 1.81 -1.26 -4.58 118.95 113.54 3i9b s ARG 11 Ca 0.00 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.74 3i9b s ARG 11 Cb 0.00 -1.66 0.00 0.00 -0.45 0.00 0.00 34.95 32.84 3i9b s ARG 11 CO 0.00 -3.44 0.00 0.27 -0.68 0.00 0.00 175.30 171.45 3i9b n ASN 12 N -4.52 0.00 0.00 0.23 6.94 -1.26 -4.80 115.26 111.84 3i9b n ASN 12 Ca 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.71 3i9b n ASN 12 Cb 0.60 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 3i9b n ASN 12 CO 0.00 0.00 0.00 1.17 -1.03 0.00 0.00 177.26 177.40 3i9b n LYS 13 N 0.00 0.00 0.00 -3.83 4.81 -0.91 -5.00 118.16 113.24 3i9b n LYS 13 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3i9b n LYS 13 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 3i9b n LYS 13 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3i9b n ARG 14 N 0.00 0.00 -0.34 1.64 1.74 -0.83 -3.95 116.66 114.91 3i9b n ARG 14 Ca 0.00 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.22 3i9b n ARG 14 Cb 0.00 0.00 0.33 0.00 -1.02 0.00 0.00 32.46 31.77 3i9b n ARG 14 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3i9b h VAL 15 N 0.01 0.63 -0.60 1.55 -1.51 -1.35 -0.48 116.25 114.49 3i9b h VAL 15 Ca 0.00 -0.22 0.02 0.00 -1.23 0.00 0.00 66.70 65.26 3i9b h VAL 15 Cb 0.00 -0.08 -0.04 0.00 -2.13 0.00 0.00 31.29 29.05 3i9b h VAL 15 CO 0.00 0.12 0.38 -2.24 -1.23 0.00 0.00 177.57 174.60 3i9b h ASP 16 N 0.65 0.64 0.05 4.19 -0.00 -1.86 -2.55 116.42 117.55 3i9b h ASP 16 Ca 0.58 -0.01 -0.17 0.00 -0.00 0.00 0.00 57.03 57.43 3i9b h ASP 16 Cb 0.98 -0.15 -0.00 0.00 -0.00 0.00 0.00 39.33 40.16 3i9b h ASP 16 CO -0.42 0.46 -0.61 0.58 -0.00 0.00 0.00 179.24 179.24 3i9b h VAL 17 N 0.77 1.33 0.00 4.15 2.07 -1.48 -3.32 116.25 119.77 3i9b h VAL 17 Ca 0.23 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3i9b h VAL 17 Cb -0.03 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3i9b h VAL 17 CO -0.08 0.58 0.00 0.00 0.02 0.00 0.00 177.57 178.10 3i9b n ALA 18 N -2.53 -0.11 -0.25 1.67 0.00 -0.32 -2.57 120.51 116.41 3i9b n ALA 18 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 3i9b n ALA 18 Cb 0.64 0.24 -0.05 0.00 0.00 0.00 0.00 19.45 20.29 3i9b n ALA 18 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9b n LEU 19 N -1.83 -0.61 -0.08 0.00 7.99 -1.15 -1.08 117.00 120.24 3i9b n LEU 19 Ca 0.00 1.08 -0.01 0.00 -0.01 0.00 0.00 56.01 57.07 3i9b n LEU 19 Cb 0.00 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.16 3i9b n LEU 19 CO 0.00 -0.89 0.11 0.41 -1.51 0.00 0.00 177.39 175.51 3i9b n THR 20 N -4.78 -0.11 -0.11 -5.08 -1.04 -1.06 -1.55 114.28 100.55 3i9b n THR 20 Ca 0.02 0.48 -0.03 0.00 -2.04 0.00 0.00 64.05 62.48 3i9b n THR 20 Cb 0.17 -0.63 -0.01 0.00 -1.82 0.00 0.00 70.33 68.05 3i9b n THR 20 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3i9b n TYR 21 N -4.29 0.14 -3.65 -1.42 0.53 -0.24 -4.00 117.16 104.23 3i9b n TYR 21 Ca 0.02 -0.51 -0.09 0.00 -1.02 0.00 0.00 57.90 56.29 3i9b n TYR 21 Cb 0.08 -0.67 -0.07 0.00 -1.03 0.00 0.00 39.34 37.64 3i9b n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3i9b s ILE 22 N 4.03 -0.00 -0.62 -0.72 1.01 -0.59 -5.04 121.20 119.27 3i9b s ILE 22 Ca 0.06 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 3i9b s ILE 22 Cb 0.02 -0.95 -0.01 0.00 0.01 0.00 0.00 42.46 41.53 3i9b s ILE 22 CO -0.00 0.00 1.76 -0.47 0.00 0.00 0.00 174.94 176.23 3i9b s TYR 23 N 1.25 1.78 0.00 3.97 6.04 -1.26 -2.02 117.35 127.10 3i9b s TYR 23 Ca -0.07 0.66 0.00 0.00 0.04 0.00 0.00 57.07 57.69 3i9b s TYR 23 Cb -0.05 -4.18 0.00 0.00 -1.04 0.00 0.00 41.96 36.69 3i9b s TYR 23 CO -0.13 -2.29 0.00 0.41 -1.54 0.00 0.00 175.55 172.00 3i9b n GLY 24 N 5.63 0.86 0.74 8.97 0.00 -1.26 -1.62 105.19 118.51 3i9b n GLY 24 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3i9b n GLY 24 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i9b n ILE 25 N 0.00 0.00 -4.31 -0.61 -0.00 -0.86 -4.89 119.36 108.69 3i9b n ILE 25 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 62.75 62.81 3i9b n ILE 25 Cb 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 39.64 38.63 3i9b n ILE 25 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3i9b n GLY 26 N 3.28 -0.11 0.11 7.39 0.00 -1.26 -3.52 105.19 111.08 3i9b n GLY 26 Ca 0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 3i9b n GLY 26 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i9b n LYS 27 N 0.00 0.72 0.07 1.61 3.00 -1.26 -4.19 118.16 118.11 3i9b n LYS 27 Ca 0.00 0.06 -0.03 0.00 -0.00 0.00 0.00 58.31 58.34 3i9b n LYS 27 Cb 0.00 -1.51 -0.01 0.00 0.00 0.00 0.00 35.03 33.51 3i9b n LYS 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9b h ALA 28 N 0.55 -0.64 0.00 3.14 0.00 -2.01 -2.98 119.26 117.32 3i9b h ALA 28 Ca -0.55 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3i9b h ALA 28 Cb 2.07 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.93 3i9b h ALA 28 CO -0.02 -0.63 0.00 0.54 0.00 0.00 0.00 179.25 179.14 3i9b n ARG 29 N -2.80 0.00 0.00 0.00 1.74 -1.23 -2.71 116.66 111.66 3i9b n ARG 29 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3i9b n ARG 29 Cb 0.08 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3i9b n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i9b n ALA 30 N -0.83 -0.01 0.28 7.54 0.00 -1.13 -3.74 120.51 122.63 3i9b n ALA 30 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3i9b n ALA 30 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 3i9b n ALA 30 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i9b h LYS 31 N 0.00 0.00 0.00 0.00 1.57 -1.55 -1.81 116.57 114.79 3i9b h LYS 31 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3i9b h LYS 31 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i9b h LYS 31 CO 0.00 0.02 -0.17 1.49 -0.57 0.00 0.00 179.45 180.22 3i9b h GLU 32 N 0.00 0.00 0.05 3.15 4.22 -1.74 -2.18 114.58 118.09 3i9b h GLU 32 Ca -0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 3i9b h GLU 32 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3i9b h GLU 32 CO 0.00 0.17 -0.02 0.00 -2.18 0.00 0.00 179.01 176.97 3i9b h ALA 33 N 1.83 -0.07 -0.06 2.92 0.00 -1.41 -1.45 119.26 121.03 3i9b h ALA 33 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3i9b h ALA 33 Cb 0.69 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3i9b h ALA 33 CO 0.02 -0.10 -0.05 1.37 0.00 0.00 0.00 179.25 180.50 3i9b h LEU 34 N -0.95 0.07 -0.09 0.00 -0.00 -1.55 0.14 115.31 112.92 3i9b h LEU 34 Ca -0.01 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 3i9b h LEU 34 Cb 0.56 -0.02 -0.00 0.00 -0.00 0.00 0.00 40.66 41.20 3i9b h LEU 34 CO 0.01 0.14 -0.12 1.05 -0.00 0.00 0.00 178.44 179.52 3i9b h GLU 35 N 0.08 0.25 -0.01 0.17 -0.00 -1.47 0.22 114.58 113.82 3i9b h GLU 35 Ca 0.02 -0.14 0.00 0.00 -0.00 0.00 0.00 59.36 59.24 3i9b h GLU 35 Cb 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.90 3i9b h GLU 35 CO 0.01 0.69 0.00 1.17 -0.00 0.00 0.00 179.01 180.88 3i9b n LYS 36 N -4.63 1.05 0.00 1.06 3.00 -0.55 -2.95 118.16 115.15 3i9b n LYS 36 Ca -0.07 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 3i9b n LYS 36 Cb 0.35 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 34.07 3i9b n LYS 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3i9b n THR 37 N -0.72 0.00 -2.58 3.15 -1.04 0.42 -5.02 114.28 108.49 3i9b n THR 37 Ca 0.15 -0.35 -0.04 0.00 -2.04 0.00 0.00 64.05 61.77 3i9b n THR 37 Cb 0.09 1.17 0.00 0.00 -1.82 0.00 0.00 70.33 69.77 3i9b n THR 37 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9b n GLY 38 N 0.29 -1.10 3.41 3.41 0.00 0.33 -4.93 105.19 106.60 3i9b n GLY 38 Ca 0.00 0.68 -0.16 0.00 0.00 0.00 0.00 46.02 46.55 3i9b n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i9b s ILE 39 N -2.52 0.02 0.02 -0.61 -4.36 0.49 -5.02 121.20 109.22 3i9b s ILE 39 Ca 0.11 -0.17 -0.30 0.00 -0.26 0.00 0.00 60.65 60.03 3i9b s ILE 39 Cb -0.03 -0.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.81 3i9b s ILE 39 CO 0.57 -0.09 0.97 0.21 0.24 0.00 0.00 174.94 176.84 3i9b s ASN 40 N -1.05 7.38 0.11 4.36 2.47 -1.26 -4.50 114.94 122.45 3i9b s ASN 40 Ca -0.11 1.67 -0.08 0.00 0.42 0.00 0.00 52.86 54.77 3i9b s ASN 40 Cb -0.02 -2.57 -0.15 0.00 -1.45 0.00 0.00 41.25 37.06 3i9b s ASN 40 CO 0.07 -0.22 1.26 1.55 -3.72 0.00 0.00 177.10 176.04 3i9b h PRO 41 N 6.59 0.53 0.00 0.43 0.13 -1.99 -3.31 132.00 134.37 3i9b h PRO 41 Ca -0.41 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.15 3i9b h PRO 41 Cb 1.22 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3i9b h PRO 41 CO 0.74 1.19 0.00 0.00 -0.23 0.00 0.00 178.00 179.71 3i9b n ALA 42 N -2.58 2.56 -2.23 -0.56 0.00 -1.26 -3.19 120.51 113.25 3i9b n ALA 42 Ca -0.08 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 52.97 3i9b n ALA 42 Cb 0.85 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 19.06 3i9b n ALA 42 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3i9b s THR 43 N -2.00 4.78 0.00 0.00 -4.23 -1.25 -4.79 115.64 108.14 3i9b s THR 43 Ca 0.18 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.40 3i9b s THR 43 Cb 0.08 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.27 3i9b s THR 43 CO 0.14 -0.27 0.00 0.54 -0.54 0.00 0.00 174.62 174.49 3i9b n ARG 44 N -0.62 0.00 0.00 3.99 5.12 -1.26 -1.95 116.66 121.94 3i9b n ARG 44 Ca 0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 3i9b n ARG 44 Cb 0.53 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 3i9b n ARG 44 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3i9b n VAL 45 N 0.00 0.00 -1.52 1.55 0.31 -1.26 -1.97 118.33 115.43 3i9b n VAL 45 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 3i9b n VAL 45 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 3i9b n VAL 45 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3i9b n LYS 46 N 0.00 0.49 0.00 5.55 -0.00 -1.26 -4.17 118.16 118.77 3i9b n LYS 46 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 3i9b n LYS 46 Cb 0.00 -2.44 0.00 0.00 -0.00 0.00 0.00 35.03 32.59 3i9b n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3i9b n ASP 47 N 13.12 0.00 -2.52 -5.58 -0.08 -1.26 -4.86 116.55 115.37 3i9b n ASP 47 Ca 0.52 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 3i9b n ASP 47 Cb 0.28 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.74 3i9b n ASP 47 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3i9b n LEU 48 N 0.00 0.00 -1.55 -2.67 7.99 -1.26 -4.80 117.00 114.72 3i9b n LEU 48 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 3i9b n LEU 48 Cb 0.00 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.26 3i9b n LEU 48 CO 0.00 0.00 0.67 1.07 -1.51 0.00 0.00 177.39 177.62 3i9b n THR 49 N 0.00 0.00 -0.28 -5.08 5.66 -1.26 -4.71 114.28 108.61 3i9b n THR 49 Ca 0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 3i9b n THR 49 Cb 0.00 -0.18 0.24 0.00 -1.55 0.00 0.00 70.33 68.85 3i9b n THR 49 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3i9b h GLU 50 N 3.52 0.21 0.00 1.09 4.22 -2.00 -2.83 114.58 118.78 3i9b h GLU 50 Ca -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.40 3i9b h GLU 50 Cb 0.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3i9b h GLU 50 CO 0.42 0.14 0.00 0.00 -2.18 0.00 0.00 179.01 177.39 3i9b n ALA 51 N -2.73 -0.01 -0.22 2.92 0.00 -1.26 -0.65 120.51 118.57 3i9b n ALA 51 Ca 0.19 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.94 3i9b n ALA 51 Cb 0.60 0.39 0.67 0.00 0.00 0.00 0.00 19.45 21.11 3i9b n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i9b h GLU 52 N 0.00 0.00 0.40 0.00 5.08 -1.86 -1.65 114.58 116.55 3i9b h GLU 52 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3i9b h GLU 52 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i9b h GLU 52 CO 0.00 0.00 -0.19 0.28 -1.00 0.00 0.00 179.01 178.10 3i9b h VAL 53 N 0.00 0.47 -0.88 3.13 2.07 -0.83 -0.79 116.25 119.41 3i9b h VAL 53 Ca 0.48 -0.58 0.13 0.00 0.82 0.00 0.00 66.70 67.56 3i9b h VAL 53 Cb 2.29 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.68 3i9b h VAL 53 CO -0.01 0.08 0.57 0.58 0.02 0.00 0.00 177.57 178.82 3i9b h VAL 54 N -0.93 0.87 0.43 2.57 2.07 -0.92 0.30 116.25 120.63 3i9b h VAL 54 Ca -0.06 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3i9b h VAL 54 Cb 0.55 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3i9b h VAL 54 CO 0.09 0.13 -0.21 0.03 0.02 0.00 0.00 177.57 177.64 3i9b h ARG 55 N 0.73 -0.56 -0.58 1.57 3.08 -1.49 0.73 114.38 117.86 3i9b h ARG 55 Ca 0.43 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.67 3i9b h ARG 55 Cb 0.64 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 3i9b h ARG 55 CO -0.20 -0.26 0.41 1.25 -1.07 0.00 0.00 179.97 180.10 3i9b h LEU 56 N -0.86 0.12 0.29 3.04 7.12 -0.48 0.17 115.31 124.71 3i9b h LEU 56 Ca -0.06 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 3i9b h LEU 56 Cb 0.56 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 3i9b h LEU 56 CO 0.10 0.07 -0.14 0.03 -0.13 0.00 0.00 178.44 178.36 3i9b h ARG 57 N 0.13 -0.38 -0.69 1.25 3.08 0.07 -2.97 114.38 114.86 3i9b h ARG 57 Ca 0.28 0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.44 3i9b h ARG 57 Cb 0.92 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.99 3i9b h ARG 57 CO -0.04 -0.25 0.35 0.93 -1.07 0.00 0.00 179.97 179.89 3i9b h GLU 58 N -0.67 0.58 -0.48 0.04 5.08 1.00 1.33 114.58 121.45 3i9b h GLU 58 Ca -0.04 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3i9b h GLU 58 Cb 0.30 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3i9b h GLU 58 CO 0.07 0.38 0.32 -0.92 -1.00 0.00 0.00 179.01 177.86 3i9b h TYR 59 N 0.60 0.61 0.00 4.33 3.20 -0.82 -2.88 116.97 122.01 3i9b h TYR 59 Ca 0.34 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 3i9b h TYR 59 Cb 0.34 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 3i9b h TYR 59 CO -0.11 0.38 -0.12 0.28 -1.64 0.00 0.00 178.16 176.96 3i9b h VAL 60 N 0.66 0.74 -0.11 1.81 2.07 -1.23 -3.25 116.25 116.94 3i9b h VAL 60 Ca 0.18 -1.58 0.03 0.00 0.82 0.00 0.00 66.70 66.15 3i9b h VAL 60 Cb -0.08 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3i9b h VAL 60 CO -0.04 0.25 0.58 -0.08 0.02 0.00 0.00 177.57 178.30 3i9b h GLU 61 N -1.00 0.00 0.00 1.57 4.81 0.16 -3.38 114.58 116.74 3i9b h GLU 61 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3i9b h GLU 61 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3i9b h GLU 61 CO -0.01 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.36 3i9b n ASN 62 N -2.90 0.00 0.00 1.04 4.13 -1.09 -4.91 115.26 111.53 3i9b n ASN 62 Ca 0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.27 3i9b n ASN 62 Cb 0.65 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.89 3i9b n ASN 62 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3i9b n THR 63 N 0.00 0.00 -0.15 3.41 -1.04 -1.22 -4.42 114.28 110.85 3i9b n THR 63 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3i9b n THR 63 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3i9b n THR 63 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 3i9b n TRP 64 N 1.07 -1.89 -4.65 -1.42 2.14 -1.26 -5.05 117.44 106.38 3i9b n TRP 64 Ca 0.00 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.26 3i9b n TRP 64 Cb 0.00 0.00 -0.17 0.00 -0.81 0.00 0.00 31.31 30.33 3i9b n TRP 64 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 3i9b s LYS 65 N -2.01 2.80 0.26 -2.67 -2.85 -1.26 -5.00 119.74 109.02 3i9b s LYS 65 Ca 0.00 -0.77 -0.03 0.00 -1.00 0.00 0.00 55.97 54.16 3i9b s LYS 65 Cb 0.00 -2.27 -0.02 0.00 -2.06 0.00 0.00 37.83 33.48 3i9b s LYS 65 CO 0.00 -0.02 0.32 -0.48 0.10 0.00 0.00 175.35 175.27 3i9b s LEU 66 N 0.83 0.99 0.00 2.77 0.05 -1.26 -4.61 118.68 117.45 3i9b s LEU 66 Ca -0.08 -1.35 0.00 0.00 0.05 0.00 0.00 54.13 52.76 3i9b s LEU 66 Cb -0.15 1.00 0.00 0.00 -2.05 0.00 0.00 46.19 44.99 3i9b s LEU 66 CO -0.01 -1.05 0.00 1.21 -0.55 0.00 0.00 176.35 175.95 3i9b n GLU 67 N -0.41 0.00 0.12 1.48 4.07 -0.64 -2.67 120.64 122.59 3i9b n GLU 67 Ca 0.02 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.21 3i9b n GLU 67 Cb 0.63 0.00 0.14 0.00 -0.06 0.00 0.00 31.44 32.16 3i9b n GLU 67 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i9b n GLY 68 N 0.00 -0.54 0.00 8.31 0.00 -1.26 -2.52 105.19 109.18 3i9b n GLY 68 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i9b n GLY 68 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i9b n GLU 69 N -2.58 0.00 -0.46 1.61 2.13 -1.09 -2.26 120.64 117.99 3i9b n GLU 69 Ca 0.08 0.00 0.38 0.00 0.66 0.00 0.00 57.16 58.28 3i9b n GLU 69 Cb 1.08 -0.43 0.69 0.00 0.27 0.00 0.00 31.44 33.06 3i9b n GLU 69 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 3i9b h LEU 70 N 0.00 0.16 0.03 4.31 -0.00 -1.63 0.48 115.31 118.67 3i9b h LEU 70 Ca 0.00 0.07 0.02 0.00 -0.00 0.00 0.00 57.88 57.97 3i9b h LEU 70 Cb 0.00 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.68 3i9b h LEU 70 CO 0.00 -0.06 -0.16 0.03 -0.00 0.00 0.00 178.44 178.25 3i9b h ARG 71 N 0.09 -0.27 0.00 0.17 -0.00 -1.60 1.45 114.38 114.22 3i9b h ARG 71 Ca 0.76 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 60.26 3i9b h ARG 71 Cb 2.63 0.06 0.00 0.00 0.00 0.00 0.00 29.97 32.66 3i9b h ARG 71 CO -0.22 -0.18 0.01 0.00 0.00 0.00 0.00 179.97 179.58 3i9b n ALA 72 N -2.47 1.01 -0.13 0.04 0.00 0.17 -1.68 120.51 117.45 3i9b n ALA 72 Ca -0.06 0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 3i9b n ALA 72 Cb 0.21 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 3i9b n ALA 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i9b n GLU 73 N -1.85 0.65 0.29 0.00 0.00 0.95 -3.35 120.64 117.32 3i9b n GLU 73 Ca -0.01 0.15 0.17 0.00 0.00 0.00 0.00 57.16 57.48 3i9b n GLU 73 Cb 0.02 -1.52 0.96 0.00 0.00 0.00 0.00 31.44 30.90 3i9b n GLU 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 3i9b h VAL 74 N -0.02 0.39 0.18 6.31 2.07 0.27 0.78 116.25 126.23 3i9b h VAL 74 Ca -0.58 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 66.62 3i9b h VAL 74 Cb 1.89 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3i9b h VAL 74 CO -0.10 0.00 -1.54 0.00 0.02 0.00 0.00 177.57 175.96 3i9b h ALA 75 N 1.93 0.09 -0.31 1.67 0.00 -1.55 -3.01 119.26 118.07 3i9b h ALA 75 Ca 0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 54.91 53.84 3i9b h ALA 75 Cb 0.13 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3i9b h ALA 75 CO -0.00 0.96 -0.09 0.00 0.00 0.00 0.00 179.25 180.12 3i9b h ALA 76 N 0.31 0.43 -0.71 0.00 0.00 -0.81 1.13 119.26 119.61 3i9b h ALA 76 Ca -0.26 -0.30 0.17 0.00 0.00 0.00 0.00 54.91 54.53 3i9b h ALA 76 Cb 2.08 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.72 3i9b h ALA 76 CO 0.21 0.28 0.49 -0.97 0.00 0.00 0.00 179.25 179.26 3i9b h ASN 77 N 0.39 0.19 1.29 0.00 -0.73 0.36 1.62 115.58 118.69 3i9b h ASN 77 Ca 0.08 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 3i9b h ASN 77 Cb 0.59 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.15 3i9b h ASN 77 CO 0.03 0.09 -0.73 0.40 -0.37 0.00 0.00 177.43 176.85 3i9b h ILE 78 N 0.20 0.19 0.00 2.57 2.04 -1.11 -2.92 117.51 118.47 3i9b h ILE 78 Ca 0.35 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3i9b h ILE 78 Cb 1.08 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 3i9b h ILE 78 CO -0.06 0.11 0.00 1.17 0.00 0.00 0.00 178.15 179.36 3i9b n LYS 79 N -2.90 0.36 0.28 2.37 0.00 0.52 -3.52 118.16 115.27 3i9b n LYS 79 Ca -0.00 0.04 -0.15 0.00 0.00 0.00 0.00 58.31 58.21 3i9b n LYS 79 Cb 0.61 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 34.07 3i9b n LYS 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9b h ARG 80 N 0.00 -0.69 0.00 1.64 3.08 -0.44 -2.62 114.38 115.35 3i9b h ARG 80 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i9b h ARG 80 Cb 0.24 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3i9b h ARG 80 CO 0.00 -0.38 0.00 1.28 -1.07 0.00 0.00 179.97 179.80 3i9b n LEU 81 N -5.30 0.00 0.00 3.04 4.32 -1.23 -3.82 117.00 114.01 3i9b n LEU 81 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 3i9b n LEU 81 Cb 0.33 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 3i9b n LEU 81 CO 0.31 0.00 0.00 0.80 -1.22 0.00 0.00 177.39 177.28 3i9b n MET 82 N -0.79 0.00 0.00 3.23 1.56 -0.99 -1.71 117.12 118.42 3i9b n MET 82 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 3i9b n MET 82 Cb 0.03 -0.37 0.00 0.00 2.15 0.00 0.00 33.22 35.03 3i9b n MET 82 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 3i9b n ASP 83 N 0.00 0.00 -1.67 6.12 3.85 -1.25 -1.56 116.55 122.03 3i9b n ASP 83 Ca 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 54.79 54.05 3i9b n ASP 83 Cb 0.00 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 39.80 3i9b n ASP 83 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3i9b n ILE 84 N 0.00 0.00 -0.51 2.12 5.41 -1.26 -5.16 119.36 119.96 3i9b n ILE 84 Ca 0.00 -0.40 -0.01 0.00 1.00 0.00 0.00 62.75 63.34 3i9b n ILE 84 Cb 0.00 0.64 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 3i9b n ILE 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i9b n GLY 85 N -0.62 -0.73 0.00 7.39 0.00 -0.60 -5.01 105.19 105.62 3i9b n GLY 85 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3i9b n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b n TYR 87 N 0.00 0.24 0.15 0.00 9.36 -1.26 -4.08 117.16 121.58 3i9b n TYR 87 Ca 0.00 0.06 0.05 0.00 3.32 0.00 0.00 57.90 61.33 3i9b n TYR 87 Cb 0.00 -1.04 0.23 0.00 -0.63 0.00 0.00 39.34 37.91 3i9b n TYR 87 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 3i9b n ARG 88 N -3.14 0.05 -0.01 2.98 0.63 -1.26 -1.90 116.66 114.01 3i9b n ARG 88 Ca -0.39 0.49 -0.22 0.00 -0.92 0.00 0.00 57.85 56.81 3i9b n ARG 88 Cb 1.05 -1.64 -0.14 0.00 0.45 0.00 0.00 32.46 32.18 3i9b n ARG 88 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3i9b h GLY 89 N 0.60 0.25 0.83 5.14 0.00 -1.84 -3.34 103.07 104.71 3i9b h GLY 89 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 47.33 46.71 3i9b h GLY 89 CO 0.00 0.57 0.33 1.41 0.00 0.00 0.00 176.54 178.85 3i9b h LEU 90 N -0.21 0.52 -0.98 3.11 3.38 -1.53 -0.12 115.31 119.49 3i9b h LEU 90 Ca -0.38 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3i9b h LEU 90 Cb 1.84 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.49 3i9b h LEU 90 CO 0.03 0.36 0.08 0.54 0.09 0.00 0.00 178.44 179.55 3i9b n ARG 91 N -4.78 0.10 -0.03 1.13 5.12 -0.96 0.16 116.66 117.39 3i9b n ARG 91 Ca 0.05 0.58 -0.19 0.00 -1.93 0.00 0.00 57.85 56.36 3i9b n ARG 91 Cb 0.10 -1.90 -0.14 0.00 -1.16 0.00 0.00 32.46 29.36 3i9b n ARG 91 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3i9b n HIS 92 N -2.02 0.94 0.25 -1.55 8.25 -0.13 -2.33 115.22 118.63 3i9b n HIS 92 Ca -0.01 0.21 0.13 0.00 -0.26 0.00 0.00 57.72 57.79 3i9b n HIS 92 Cb 0.10 -1.13 0.58 0.00 1.12 0.00 0.00 29.99 30.66 3i9b n HIS 92 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3i9b h ARG 93 N 0.05 0.00 -0.52 -0.41 9.65 0.48 -1.13 114.38 122.50 3i9b h ARG 93 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 3i9b h ARG 93 Cb 2.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 3i9b h ARG 93 CO 0.05 0.14 0.00 -2.13 2.80 0.00 0.00 179.97 180.83 3i9b n ARG 94 N -3.32 2.60 -0.32 0.20 3.00 0.85 -4.93 116.66 114.73 3i9b n ARG 94 Ca -0.00 -2.44 0.00 0.00 -0.00 0.00 0.00 57.85 55.41 3i9b n ARG 94 Cb 0.36 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.28 3i9b n ARG 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i9b n GLY 95 N 1.57 0.00 3.82 5.14 0.00 -0.43 -4.92 105.19 110.37 3i9b n GLY 95 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3i9b n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9b s LEU 96 N 0.00 2.21 0.33 0.99 1.43 -0.99 -4.15 118.68 118.50 3i9b s LEU 96 Ca 0.00 0.96 -0.29 0.00 -1.03 0.00 0.00 54.13 53.77 3i9b s LEU 96 Cb 0.00 -3.36 -0.11 0.00 0.03 0.00 0.00 46.19 42.75 3i9b s LEU 96 CO 0.00 -2.31 1.49 -2.16 0.23 0.00 0.00 176.35 173.59 3i9b s PRO 97 N -5.34 4.17 -0.10 1.29 0.04 -1.26 -4.45 135.00 129.35 3i9b s PRO 97 Ca 0.63 2.48 -0.11 0.00 0.04 0.00 0.00 61.00 64.04 3i9b s PRO 97 Cb -0.14 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.29 3i9b s PRO 97 CO 0.52 -0.50 0.37 0.28 0.04 0.00 0.00 177.00 177.72 3i9b h VAL 98 N 3.19 0.55 0.00 -0.36 2.07 -1.93 -3.38 116.25 116.39 3i9b h VAL 98 Ca -0.49 -1.30 -0.36 0.00 0.82 0.00 0.00 66.70 65.37 3i9b h VAL 98 Cb 1.23 1.01 0.06 0.00 -1.52 0.00 0.00 31.29 32.07 3i9b h VAL 98 CO 0.71 0.18 1.58 -1.14 0.02 0.00 0.00 177.57 178.91 3i9b n ARG 99 N -4.80 0.56 -0.07 1.57 0.00 -1.26 -4.68 116.66 107.98 3i9b n ARG 99 Ca -0.04 -1.03 0.00 0.00 -0.00 0.00 0.00 57.85 56.78 3i9b n ARG 99 Cb 0.17 -2.38 0.00 0.00 0.00 0.00 0.00 32.46 30.25 3i9b n ARG 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i9b n GLY 100 N 4.38 0.00 0.00 5.14 0.00 -1.26 -4.87 105.19 108.58 3i9b n GLY 100 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3i9b n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i9b n GLN 101 N 0.05 2.07 -2.56 1.61 6.02 -1.26 -5.08 117.38 118.22 3i9b n GLN 101 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 3i9b n GLN 101 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 3i9b n GLN 101 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3i9b s ARG 102 N -1.36 4.32 0.00 -1.09 3.52 -1.26 -4.87 118.95 118.21 3i9b s ARG 102 Ca 0.00 1.52 0.00 0.00 -0.13 0.00 0.00 55.73 57.12 3i9b s ARG 102 Cb 0.00 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3i9b s ARG 102 CO 0.00 -0.52 0.32 0.25 -0.81 0.00 0.00 175.30 174.54 3i9b n THR 103 N 4.96 0.00 0.05 4.11 -2.24 -1.26 -4.27 114.28 115.63 3i9b n THR 103 Ca 0.11 -0.44 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 3i9b n THR 103 Cb 0.46 1.09 -0.05 0.00 -2.10 0.00 0.00 70.33 69.74 3i9b n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3i9b h ARG 104 N 0.00 -0.21 -5.08 -0.78 2.43 -2.01 -3.43 114.38 105.29 3i9b h ARG 104 Ca 0.00 0.01 -0.62 0.00 -0.81 0.00 0.00 59.98 58.56 3i9b h ARG 104 Cb 0.05 0.05 -0.13 0.00 -0.42 0.00 0.00 29.97 29.51 3i9b h ARG 104 CO 0.00 -0.14 -0.50 0.95 -1.51 0.00 0.00 179.97 178.76 3i9b s THR 105 N -6.14 0.77 0.00 0.20 -4.23 -1.26 -5.08 115.64 99.89 3i9b s THR 105 Ca -0.14 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 3i9b s THR 105 Cb 0.09 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.71 3i9b s THR 105 CO 0.67 0.00 0.00 0.59 -0.54 0.00 0.00 174.62 175.34 3i9b n ASN 106 N -1.36 -2.53 -0.87 3.99 4.13 -1.26 -4.88 115.26 112.49 3i9b n ASN 106 Ca -0.12 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.06 3i9b n ASN 106 Cb 0.66 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.89 3i9b n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i9b n ALA 107 N 0.70 -0.22 0.06 5.41 0.00 -1.26 -4.73 120.51 120.46 3i9b n ALA 107 Ca 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 3i9b n ALA 107 Cb 0.00 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.37 3i9b n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9b h ARG 108 N 0.00 0.36 0.00 0.00 -0.00 -1.89 -3.27 114.38 109.58 3i9b h ARG 108 Ca -0.18 -0.29 0.00 0.00 -0.50 0.00 0.00 59.98 59.01 3i9b h ARG 108 Cb 1.09 0.06 0.00 0.00 0.00 0.00 0.00 29.97 31.12 3i9b h ARG 108 CO 0.22 0.92 0.00 2.41 0.00 0.00 0.00 179.97 183.52 3i9b n THR 109 N -3.84 0.00 0.00 2.04 -1.04 -1.26 -0.05 114.28 110.13 3i9b n THR 109 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3i9b n THR 109 Cb 0.69 -0.66 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 3i9b n THR 109 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i9b n ARG 110 N -0.70 2.31 -0.06 -2.82 1.74 -1.24 -4.85 116.66 111.04 3i9b n ARG 110 Ca 0.01 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.88 3i9b n ARG 110 Cb 0.00 -0.68 -0.13 0.00 -1.02 0.00 0.00 32.46 30.63 3i9b n ARG 110 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i9b h LYS 111 N 0.00 0.09 0.00 5.56 1.57 -1.38 -3.42 116.57 118.98 3i9b h LYS 111 Ca 0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3i9b h LYS 111 Cb 0.24 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3i9b h LYS 111 CO 0.00 1.07 0.00 0.41 -0.57 0.00 0.00 179.45 180.36 3i9b n GLY 112 N 1.59 0.82 3.46 3.86 0.00 0.93 -5.05 105.19 110.79 3i9b n GLY 112 Ca -0.27 -2.22 -0.46 0.00 0.00 0.00 0.00 46.02 43.08 3i9b n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i9b n PRO 113 N -0.45 0.48 -1.55 1.61 -0.02 -1.26 -4.77 135.00 129.05 3i9b n PRO 113 Ca 0.00 0.17 -0.37 0.00 -2.02 0.00 0.00 63.50 61.28 3i9b n PRO 113 Cb 0.00 -1.32 -0.04 0.00 -0.02 0.00 0.00 33.50 32.12 3i9b n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i9b n ARG 114 N 0.89 1.02 -0.21 -0.52 1.74 -1.26 -4.85 116.66 113.48 3i9b n ARG 114 Ca 0.14 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.34 3i9b n ARG 114 Cb 0.30 -3.27 0.37 0.00 -1.02 0.00 0.00 32.46 28.84 3i9b n ARG 114 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3i9b h LYS 115 N 18.62 0.70 -1.51 5.56 1.57 -2.00 -3.48 116.57 136.03 3i9b h LYS 115 Ca -0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3i9b h LYS 115 Cb 1.27 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3i9b h LYS 115 CO 1.16 0.46 -0.36 2.41 -0.57 0.00 0.00 179.45 182.55 3i9b n THR 116 N -4.50 -2.76 -0.00 -0.16 -1.04 -1.26 -5.04 114.28 99.51 3i9b n THR 116 Ca 0.13 0.98 -0.01 0.00 -2.04 0.00 0.00 64.05 63.11 3i9b n THR 116 Cb 0.31 -1.64 -0.00 0.00 -1.82 0.00 0.00 70.33 67.17 3i9b n THR 116 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i9b n VAL 117 N -0.51 0.16 -1.79 12.58 0.31 -1.26 -5.15 118.33 122.67 3i9b n VAL 117 Ca 0.00 0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.57 3i9b n VAL 117 Cb 0.00 -1.33 -0.01 0.00 -0.91 0.00 0.00 33.84 31.59 3i9b n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i9b n ALA 118 N -2.67 -2.85 0.00 3.52 0.00 -1.26 -5.35 120.51 111.90 3i9b n ALA 118 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.04 3i9b n ALA 118 Cb 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.14 3i9b n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91