#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2u s ILE 4 N 0.00 4.96 -0.04 1.34 1.01 -1.26 -4.79 121.20 122.42 1b2u s ILE 4 Ca 0.00 -1.68 0.19 0.00 0.00 0.00 0.00 60.65 59.16 1b2u s ILE 4 Cb 0.00 -4.65 0.35 0.00 0.01 0.00 0.00 42.46 38.17 1b2u s ILE 4 CO 0.00 -1.32 1.15 -0.46 0.00 0.00 0.00 174.94 174.31 1b2u n ASN 5 N 5.88 1.03 -4.64 3.58 6.94 -1.26 -4.69 115.26 122.09 1b2u n ASN 5 Ca 0.15 -2.40 -0.24 0.00 -0.02 0.00 0.00 54.58 52.08 1b2u n ASN 5 Cb 0.47 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.49 1b2u n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b2u s THR 6 N -0.72 3.05 0.11 5.53 -4.23 -1.26 -0.93 115.64 117.19 1b2u s THR 6 Ca 0.29 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 1b2u s THR 6 Cb 0.32 -2.80 -0.10 0.00 1.34 0.00 0.00 72.50 71.26 1b2u s THR 6 CO -0.11 -0.30 1.60 -0.26 -0.54 0.00 0.00 174.62 175.01 1b2u h PHE 7 N 1.85 -1.08 -0.79 3.99 0.04 -1.98 0.22 116.94 119.18 1b2u h PHE 7 Ca -0.43 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 1b2u h PHE 7 Cb 1.25 0.45 -0.04 0.00 2.20 0.00 0.00 35.95 39.82 1b2u h PHE 7 CO 0.69 -0.50 0.39 0.22 -0.60 0.00 0.00 178.31 178.52 1b2u h ASP 8 N -0.64 1.03 -0.01 2.17 3.58 -1.99 -1.22 116.42 119.35 1b2u h ASP 8 Ca 0.02 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.34 1b2u h ASP 8 Cb 0.66 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.44 1b2u h ASP 8 CO -0.21 0.87 -0.01 1.23 -2.88 0.00 0.00 179.24 178.25 1b2u h GLY 9 N 1.12 0.02 1.03 -0.78 0.00 -1.93 -0.74 103.07 101.79 1b2u h GLY 9 Ca 0.27 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.51 1b2u h GLY 9 CO -0.04 0.02 0.06 -2.08 0.00 0.00 0.00 176.54 174.50 1b2u h VAL 10 N -0.50 1.26 -0.54 4.60 2.07 -0.60 0.47 116.25 123.00 1b2u h VAL 10 Ca 0.00 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.55 1b2u h VAL 10 Cb 0.53 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1b2u h VAL 10 CO 0.00 0.37 0.27 0.00 0.02 0.00 0.00 177.57 178.24 1b2u h ALA 11 N 0.99 0.70 -0.70 1.67 0.00 -1.23 0.92 119.26 121.61 1b2u h ALA 11 Ca 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1b2u h ALA 11 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1b2u h ALA 11 CO 0.02 -0.07 0.35 0.22 0.00 0.00 0.00 179.25 179.77 1b2u h ASP 12 N 0.52 0.91 -0.40 0.00 3.58 -0.81 -0.78 116.42 119.44 1b2u h ASP 12 Ca 0.24 -0.12 -0.13 0.00 0.42 0.00 0.00 57.03 57.44 1b2u h ASP 12 Cb 0.16 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 1b2u h ASP 12 CO -0.17 0.77 -0.26 0.22 -2.88 0.00 0.00 179.24 176.91 1b2u h TYR 13 N 0.98 1.03 -0.77 0.28 5.03 -0.33 -2.56 116.97 120.63 1b2u h TYR 13 Ca 0.24 -0.28 -0.01 0.00 2.58 0.00 0.00 58.73 61.26 1b2u h TYR 13 Cb 0.09 -0.23 -0.04 0.00 1.55 0.00 0.00 36.73 38.11 1b2u h TYR 13 CO 0.00 1.07 0.42 -0.07 -1.32 0.00 0.00 178.16 178.27 1b2u h LEU 14 N 0.70 0.96 -1.34 2.82 3.38 -0.61 -0.69 115.31 120.53 1b2u h LEU 14 Ca 0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1b2u h LEU 14 Cb 0.84 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1b2u h LEU 14 CO 0.07 0.78 -0.27 1.56 0.09 0.00 0.00 178.44 180.67 1b2u h GLN 15 N 1.06 0.00 0.00 1.13 4.20 -0.94 0.78 115.11 121.34 1b2u h GLN 15 Ca 0.27 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.90 1b2u h GLN 15 Cb 0.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1b2u h GLN 15 CO -0.04 0.27 -0.78 2.41 -0.67 0.00 0.00 178.83 180.02 1b2u n THR 16 N -3.66 1.46 0.39 -0.54 -1.04 -0.98 -4.52 114.28 105.38 1b2u n THR 16 Ca -0.01 0.13 0.12 0.00 -2.04 0.00 0.00 64.05 62.25 1b2u n THR 16 Cb 0.39 -2.27 0.14 0.00 -1.82 0.00 0.00 70.33 66.77 1b2u n THR 16 CO 0.00 0.00 0.00 1.88 -0.64 0.00 0.00 175.07 176.31 1b2u h TYR 17 N -1.00 0.00 -5.76 -1.42 -1.99 -1.26 -3.48 116.97 102.05 1b2u h TYR 17 Ca -0.13 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.28 1b2u h TYR 17 Cb 0.79 0.00 0.15 0.00 2.00 0.00 0.00 36.73 39.67 1b2u h TYR 17 CO -0.11 0.00 -0.88 0.72 -0.00 0.00 0.00 178.16 177.89 1b2u n HIS 18 N -2.42 -2.24 0.00 4.88 8.25 0.27 -4.98 115.22 118.98 1b2u n HIS 18 Ca 0.02 0.72 0.00 0.00 -0.26 0.00 0.00 57.72 58.20 1b2u n HIS 18 Cb 0.48 -3.94 0.00 0.00 1.12 0.00 0.00 29.99 27.66 1b2u n HIS 18 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1b2u n LYS 19 N -3.65 0.00 -2.77 -0.41 2.85 -1.25 -5.07 118.16 107.86 1b2u n LYS 19 Ca -0.10 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.88 1b2u n LYS 19 Cb 0.61 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.98 1b2u n LYS 19 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1b2u s LEU 20 N 0.00 3.73 1.06 -5.58 1.43 -1.26 -3.89 118.68 114.17 1b2u s LEU 20 Ca 0.00 0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 1b2u s LEU 20 Cb 0.00 -3.87 0.21 0.00 0.03 0.00 0.00 46.19 42.56 1b2u s LEU 20 CO 0.00 -0.49 0.99 -2.65 0.23 0.00 0.00 176.35 174.42 1b2u n PRO 21 N -1.88 -1.51 0.25 1.29 -0.02 -1.26 -4.89 135.00 126.98 1b2u n PRO 21 Ca 0.01 -0.40 0.17 0.00 -2.02 0.00 0.00 63.50 61.26 1b2u n PRO 21 Cb 0.55 -2.21 0.84 0.00 -0.02 0.00 0.00 33.50 32.65 1b2u n PRO 21 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b2u h ASP 22 N -2.29 0.00 -0.10 2.55 5.19 -1.96 -2.93 116.42 116.88 1b2u h ASP 22 Ca -0.53 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 1b2u h ASP 22 Cb 1.31 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.82 1b2u h ASP 22 CO 0.44 0.00 0.00 -0.46 -3.12 0.00 0.00 179.24 176.10 1b2u n ASN 23 N -2.74 0.66 -4.51 6.45 6.94 -1.26 -4.82 115.26 115.99 1b2u n ASN 23 Ca -0.01 -1.80 -0.34 0.00 -0.02 0.00 0.00 54.58 52.40 1b2u n ASN 23 Cb 0.13 -0.07 -0.12 0.00 -2.36 0.00 0.00 39.78 37.37 1b2u n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b2u s TYR 24 N -1.87 3.07 -0.03 -2.53 2.02 -1.11 -1.93 117.35 114.97 1b2u s TYR 24 Ca 0.17 -0.27 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 1b2u s TYR 24 Cb 0.09 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.62 1b2u s TYR 24 CO 0.13 -0.05 -0.24 0.96 -1.57 0.00 0.00 175.55 174.78 1b2u s ILE 25 N 0.53 1.94 1.10 2.71 -4.36 -0.33 -4.82 121.20 117.96 1b2u s ILE 25 Ca -0.01 -1.03 -0.13 0.00 -0.26 0.00 0.00 60.65 59.22 1b2u s ILE 25 Cb -0.14 -1.62 0.25 0.00 1.25 0.00 0.00 42.46 42.20 1b2u s ILE 25 CO 0.02 0.55 1.05 0.42 0.24 0.00 0.00 174.94 177.22 1b2u s THR 26 N -0.41 2.04 0.29 8.37 -4.23 -1.16 -1.32 115.64 119.23 1b2u s THR 26 Ca 0.05 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 1b2u s THR 26 Cb -0.11 -2.25 0.14 0.00 1.34 0.00 0.00 72.50 71.63 1b2u s THR 26 CO 0.01 -0.02 1.82 0.00 -0.54 0.00 0.00 174.62 175.89 1b2u h ALA 27 N -2.34 1.23 0.44 3.99 0.00 -1.96 -0.50 119.26 120.12 1b2u h ALA 27 Ca -0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1b2u h ALA 27 Cb 1.33 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1b2u h ALA 27 CO 0.53 0.52 -0.40 1.03 0.00 0.00 0.00 179.25 180.93 1b2u h SER 28 N 0.69 -1.07 -0.69 0.00 0.87 -1.99 0.11 113.55 111.48 1b2u h SER 28 Ca 0.15 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1b2u h SER 28 Cb 0.35 0.35 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1b2u h SER 28 CO 0.01 -0.56 0.36 -0.33 -0.53 0.00 0.00 176.83 175.77 1b2u h GLU 29 N -0.85 1.00 -0.31 2.24 5.08 -1.91 -1.45 114.58 118.38 1b2u h GLU 29 Ca -0.04 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1b2u h GLU 29 Cb 0.74 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1b2u h GLU 29 CO -0.04 0.75 0.08 0.00 -1.00 0.00 0.00 179.01 178.81 1b2u h ALA 30 N 1.40 0.41 -0.96 3.43 0.00 -0.86 -2.79 119.26 119.89 1b2u h ALA 30 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1b2u h ALA 30 Cb 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1b2u h ALA 30 CO -0.04 0.06 0.60 1.96 0.00 0.00 0.00 179.25 181.84 1b2u h GLN 31 N 0.34 1.28 -0.03 0.00 4.20 -0.30 -0.70 115.11 119.91 1b2u h GLN 31 Ca 0.10 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1b2u h GLN 31 Cb 0.28 -0.28 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1b2u h GLN 31 CO -0.00 0.88 0.03 0.00 -0.67 0.00 0.00 178.83 179.07 1b2u h ALA 32 N 1.35 1.87 0.00 3.87 0.00 -1.07 -0.45 119.26 124.83 1b2u h ALA 32 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1b2u h ALA 32 Cb -0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1b2u h ALA 32 CO -0.07 -0.04 -0.14 -0.07 0.00 0.00 0.00 179.25 178.93 1b2u h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -0.87 -3.47 115.31 114.35 1b2u h LEU 33 Ca 0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1b2u h LEU 33 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1b2u h LEU 33 CO -0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1b2u n GLY 34 N 1.29 1.30 3.71 0.83 0.00 -0.18 -4.83 105.19 107.31 1b2u n GLY 34 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1b2u n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b2u s TRP 35 N -2.00 3.02 -0.46 1.61 -0.00 -0.99 -4.96 118.94 115.16 1b2u s TRP 35 Ca 0.00 0.66 0.03 0.00 -0.00 0.00 0.00 56.10 56.79 1b2u s TRP 35 Cb 0.00 -3.88 0.13 0.00 -0.00 0.00 0.00 33.47 29.72 1b2u s TRP 35 CO 0.00 -3.25 0.22 0.08 -0.00 0.00 0.00 176.95 174.00 1b2u s VAL 36 N 1.34 2.05 0.11 5.86 1.01 -1.26 -4.56 120.40 124.95 1b2u s VAL 36 Ca 0.69 -2.84 -0.13 0.00 0.00 0.00 0.00 61.98 59.70 1b2u s VAL 36 Cb -0.42 -2.44 0.06 0.00 0.00 0.00 0.00 36.38 33.58 1b2u s VAL 36 CO 0.31 -0.80 0.87 0.00 0.00 0.00 0.00 175.10 175.47 1b2u n ALA 37 N 3.49 -0.19 0.35 5.51 0.00 -1.26 0.27 120.51 128.67 1b2u n ALA 37 Ca 0.06 0.52 0.07 0.00 0.00 0.00 0.00 53.44 54.09 1b2u n ALA 37 Cb 0.35 -0.18 0.31 0.00 0.00 0.00 0.00 19.45 19.93 1b2u n ALA 37 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1b2u n SER 38 N -4.77 0.20 0.02 0.00 3.41 -1.26 -0.77 113.62 110.45 1b2u n SER 38 Ca 0.04 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.32 1b2u n SER 38 Cb 0.19 -0.60 -0.05 0.00 -0.26 0.00 0.00 64.21 63.49 1b2u n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1b2u n LYS 39 N -1.73 0.38 -3.79 4.33 5.02 0.75 -5.01 118.16 118.12 1b2u n LYS 39 Ca 0.02 -0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.92 1b2u n LYS 39 Cb 0.14 -1.58 0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1b2u n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b2u n GLY 40 N 1.34 -1.00 2.23 0.72 0.00 0.05 -4.93 105.19 103.60 1b2u n GLY 40 Ca 0.00 0.44 -0.02 0.00 0.00 0.00 0.00 46.02 46.44 1b2u n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b2u n ASN 41 N -2.46 1.95 -0.26 1.61 0.23 -1.26 -4.18 115.26 110.89 1b2u n ASN 41 Ca -0.12 -2.41 -0.01 0.00 -0.53 0.00 0.00 54.58 51.51 1b2u n ASN 41 Cb 0.59 -0.42 0.19 0.00 -2.08 0.00 0.00 39.78 38.06 1b2u n ASN 41 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1b2u h LEU 42 N 2.04 0.96 -1.50 -4.53 5.85 -1.92 -1.51 115.31 114.70 1b2u h LEU 42 Ca -0.08 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1b2u h LEU 42 Cb 1.45 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1b2u h LEU 42 CO 0.24 0.73 -0.01 0.00 -0.34 0.00 0.00 178.44 179.05 1b2u h ALA 43 N 1.44 1.00 0.07 1.25 0.00 -1.87 0.89 119.26 122.04 1b2u h ALA 43 Ca 0.29 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 1b2u h ALA 43 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1b2u h ALA 43 CO -0.06 0.01 -1.09 -0.44 0.00 0.00 0.00 179.25 177.68 1b2u h ASP 44 N 0.00 0.45 -0.02 0.00 3.32 -1.66 -2.46 116.42 116.06 1b2u h ASP 44 Ca -0.00 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1b2u h ASP 44 Cb 0.51 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1b2u h ASP 44 CO 0.00 1.27 -0.35 1.33 -1.72 0.00 0.00 179.24 179.77 1b2u n VAL 45 N -3.63 0.00 -2.90 -1.35 0.24 -1.03 -4.67 118.33 104.99 1b2u n VAL 45 Ca -0.07 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 1b2u n VAL 45 Cb 0.93 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.56 1b2u n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b2u n ALA 46 N 0.10 -0.36 -1.65 2.33 0.00 0.31 -4.90 120.51 116.34 1b2u n ALA 46 Ca 0.09 -1.86 -0.48 0.00 0.00 0.00 0.00 53.44 51.18 1b2u n ALA 46 Cb 0.42 -1.22 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1b2u n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b2u n PRO 47 N 2.07 1.80 -1.23 0.00 -0.02 -0.93 -0.52 135.00 136.18 1b2u n PRO 47 Ca 0.16 0.65 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 1b2u n PRO 47 Cb 0.58 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 1b2u n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b2u n GLY 48 N 3.19 0.86 3.99 -1.23 0.00 -1.26 -4.99 105.19 105.75 1b2u n GLY 48 Ca 0.18 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1b2u n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b2u s LYS 49 N -2.41 2.79 -0.04 1.61 -0.14 0.32 -4.38 119.74 117.48 1b2u s LYS 49 Ca 0.00 -1.28 -0.12 0.00 -1.36 0.00 0.00 55.97 53.21 1b2u s LYS 49 Cb 0.00 -2.71 0.02 0.00 -1.68 0.00 0.00 37.83 33.46 1b2u s LYS 49 CO 0.00 -0.27 0.27 -1.12 -0.76 0.00 0.00 175.35 173.47 1b2u s SER 50 N -4.33 -0.18 0.09 2.83 0.01 -0.81 -4.79 113.70 106.53 1b2u s SER 50 Ca 0.54 0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.66 1b2u s SER 50 Cb -0.09 0.37 -0.07 0.00 0.21 0.00 0.00 66.02 66.44 1b2u s SER 50 CO 0.32 -0.33 1.38 -0.63 0.41 0.00 0.00 173.24 174.40 1b2u s ILE 51 N -0.91 3.43 0.02 1.44 -1.09 -1.25 -1.18 121.20 121.65 1b2u s ILE 51 Ca -0.10 0.99 -0.28 0.00 -2.23 0.00 0.00 60.65 59.04 1b2u s ILE 51 Cb -0.05 -3.64 0.09 0.00 -1.58 0.00 0.00 42.46 37.29 1b2u s ILE 51 CO 0.03 0.06 0.81 -0.83 -1.23 0.00 0.00 174.94 173.78 1b2u s GLY 52 N 1.28 -0.49 0.00 6.18 0.00 -0.43 -1.40 107.32 112.45 1b2u s GLY 52 Ca 0.64 1.01 0.00 0.00 0.00 0.00 0.00 44.72 46.37 1b2u s GLY 52 CO 0.30 0.41 0.00 0.61 0.00 0.00 0.00 173.10 174.41 1b2u n GLY 53 N -0.09 0.74 3.81 0.20 0.00 0.14 -2.99 105.19 106.99 1b2u n GLY 53 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1b2u n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b2u s ASP 54 N -2.63 5.62 0.40 1.61 1.01 -1.23 -4.68 116.67 116.76 1b2u s ASP 54 Ca 0.00 1.76 -0.26 0.00 0.71 0.00 0.00 52.55 54.76 1b2u s ASP 54 Cb 0.00 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 1b2u s ASP 54 CO 0.00 -1.27 1.27 -0.63 0.21 0.00 0.00 175.17 174.74 1b2u s ILE 55 N -2.64 2.76 -0.26 0.77 1.01 -1.26 -1.51 121.20 120.07 1b2u s ILE 55 Ca 0.62 0.68 0.01 0.00 0.00 0.00 0.00 60.65 61.96 1b2u s ILE 55 Cb -0.15 -3.40 0.05 0.00 0.01 0.00 0.00 42.46 38.97 1b2u s ILE 55 CO 0.43 0.10 -0.09 0.12 0.00 0.00 0.00 174.94 175.49 1b2u s PHE 56 N -1.29 3.19 0.30 3.97 5.36 0.43 -4.73 117.98 125.21 1b2u s PHE 56 Ca 0.56 -2.05 0.34 0.00 -0.96 0.00 0.00 56.93 54.82 1b2u s PHE 56 Cb -0.36 -1.98 1.59 0.00 -0.34 0.00 0.00 43.02 41.92 1b2u s PHE 56 CO 0.46 -0.84 2.08 0.77 -1.46 0.00 0.00 175.22 176.24 1b2u h SER 57 N 7.87 0.00 -5.32 6.13 0.02 -1.95 -3.35 113.55 116.95 1b2u h SER 57 Ca -0.24 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.30 1b2u h SER 57 Cb 1.06 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.68 1b2u h SER 57 CO 0.51 0.05 -0.65 -3.20 -1.14 0.00 0.00 176.83 172.40 1b2u n ASN 58 N -3.23 -5.97 -0.07 3.07 5.15 -1.26 -4.85 115.26 108.10 1b2u n ASN 58 Ca -0.01 -0.46 -0.07 0.00 -0.60 0.00 0.00 54.58 53.45 1b2u n ASN 58 Cb 0.25 -4.76 -0.00 0.00 -0.53 0.00 0.00 39.78 34.73 1b2u n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b2u h ARG 59 N -2.00 -0.09 0.00 1.20 3.08 -2.00 -1.34 114.38 113.22 1b2u h ARG 59 Ca -0.55 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.51 1b2u h ARG 59 Cb 1.37 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1b2u h ARG 59 CO 0.58 -0.06 0.00 0.39 -1.07 0.00 0.00 179.97 179.81 1b2u n GLU 60 N -5.31 0.75 -1.29 0.04 1.02 -1.26 -4.87 120.64 109.72 1b2u n GLU 60 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1b2u n GLU 60 Cb 0.23 -1.31 -0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1b2u n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b2u n GLY 61 N 0.41 1.11 0.22 0.62 0.00 -0.51 -4.90 105.19 102.14 1b2u n GLY 61 Ca 0.11 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1b2u n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b2u h LYS 62 N 0.08 0.52 -6.73 1.61 1.57 -1.90 -3.43 116.57 108.29 1b2u h LYS 62 Ca -0.20 -0.28 -0.50 0.00 -1.87 0.00 0.00 60.65 57.80 1b2u h LYS 62 Cb 0.75 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1b2u h LYS 62 CO 0.30 0.87 0.07 -0.51 -0.57 0.00 0.00 179.45 179.61 1b2u s LEU 63 N -8.43 3.99 0.17 2.94 1.43 -1.26 -5.01 118.68 112.51 1b2u s LEU 63 Ca -0.07 1.17 -0.32 0.00 -1.03 0.00 0.00 54.13 53.88 1b2u s LEU 63 Cb 0.12 -3.99 -0.11 0.00 0.03 0.00 0.00 46.19 42.24 1b2u s LEU 63 CO 0.82 -0.26 1.74 -2.84 0.23 0.00 0.00 176.35 176.04 1b2u s PRO 64 N -3.30 4.14 -0.03 1.29 0.02 -1.26 -4.98 135.00 130.87 1b2u s PRO 64 Ca 0.52 2.57 -0.01 0.00 0.02 0.00 0.00 61.00 64.11 1b2u s PRO 64 Cb -0.10 -3.27 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 1b2u s PRO 64 CO 0.23 -0.77 0.04 0.20 -0.33 0.00 0.00 177.00 176.37 1b2u s GLY 65 N 1.72 1.94 -0.03 0.52 0.00 -1.26 -5.08 107.32 105.13 1b2u s GLY 65 Ca 0.76 -0.86 -0.11 0.00 0.00 0.00 0.00 44.72 44.51 1b2u s GLY 65 CO 0.33 -0.70 0.25 1.25 0.00 0.00 0.00 173.10 174.23 1b2u s LYS 66 N -1.40 0.53 0.06 2.90 2.20 -1.26 -5.07 119.74 117.69 1b2u s LYS 66 Ca 0.19 -0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 1b2u s LYS 66 Cb -0.12 0.23 -0.09 0.00 -1.51 0.00 0.00 37.83 36.35 1b2u s LYS 66 CO 0.09 -0.13 1.86 -1.54 -0.36 0.00 0.00 175.35 175.28 1b2u s SER 67 N -0.99 6.47 0.00 1.43 1.04 -1.26 -1.47 113.70 118.92 1b2u s SER 67 Ca -0.11 2.65 0.00 0.00 0.48 0.00 0.00 55.95 58.98 1b2u s SER 67 Cb -0.05 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1b2u s SER 67 CO 0.02 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1b2u n GLY 68 N 4.35 2.82 3.69 7.32 0.00 -1.26 -5.05 105.19 117.06 1b2u n GLY 68 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1b2u n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b2u s ARG 69 N -0.35 4.37 0.23 1.61 3.52 -0.54 -4.95 118.95 122.83 1b2u s ARG 69 Ca 0.00 1.73 0.12 0.00 -0.13 0.00 0.00 55.73 57.45 1b2u s ARG 69 Cb 0.00 -3.50 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 1b2u s ARG 69 CO 0.00 -0.40 -0.22 0.95 -0.81 0.00 0.00 175.30 174.81 1b2u s THR 70 N 1.90 2.41 0.12 4.11 -4.23 -1.26 -4.73 115.64 113.96 1b2u s THR 70 Ca 0.58 -2.19 0.10 0.00 -1.18 0.00 0.00 61.69 59.00 1b2u s THR 70 Cb -0.27 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 1b2u s THR 70 CO 0.25 -0.24 -0.25 0.26 -0.54 0.00 0.00 174.62 174.09 1b2u s TRP 71 N -2.03 2.35 0.19 3.99 0.52 -1.26 -0.29 118.94 122.41 1b2u s TRP 71 Ca 0.25 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 56.02 1b2u s TRP 71 Cb -0.07 -1.28 -0.05 0.00 -1.15 0.00 0.00 33.47 30.93 1b2u s TRP 71 CO 0.12 0.33 0.02 1.03 0.02 0.00 0.00 176.95 178.47 1b2u s ARG 72 N -1.99 1.15 0.23 4.98 0.52 -0.79 -0.43 118.95 122.63 1b2u s ARG 72 Ca 0.14 -1.57 0.00 0.00 -0.52 0.00 0.00 55.73 53.79 1b2u s ARG 72 Cb -0.10 -0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.10 1b2u s ARG 72 CO 0.06 -0.17 0.12 -1.83 0.02 0.00 0.00 175.30 173.50 1b2u s GLU 73 N -3.95 1.33 -0.23 3.54 -1.05 -0.57 -1.52 118.70 116.24 1b2u s GLU 73 Ca 0.27 -1.71 -0.24 0.00 -0.15 0.00 0.00 54.97 53.13 1b2u s GLU 73 Cb 0.06 0.00 0.07 0.00 -0.44 0.00 0.00 34.13 33.82 1b2u s GLU 73 CO 0.06 -0.35 0.67 0.00 0.95 0.00 0.00 175.26 176.59 1b2u s ALA 74 N -3.93 -1.68 0.51 -0.84 0.00 -0.39 0.25 121.76 115.68 1b2u s ALA 74 Ca 0.38 1.82 -0.22 0.00 0.00 0.00 0.00 51.96 53.95 1b2u s ALA 74 Cb 0.07 -0.96 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 1b2u s ALA 74 CO 0.13 -0.33 1.22 -0.51 0.00 0.00 0.00 175.76 176.28 1b2u s ASP 75 N 0.14 5.74 0.02 0.00 1.11 -0.50 -1.61 116.67 121.57 1b2u s ASP 75 Ca -0.02 2.43 0.06 0.00 0.18 0.00 0.00 52.55 55.21 1b2u s ASP 75 Cb -0.04 -2.61 -0.02 0.00 1.07 0.00 0.00 42.92 41.32 1b2u s ASP 75 CO 0.02 -1.22 -0.19 -0.63 1.18 0.00 0.00 175.17 174.32 1b2u s ILE 76 N -1.50 1.53 -1.50 0.77 -1.09 -0.52 -4.67 121.20 114.21 1b2u s ILE 76 Ca 0.69 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.10 1b2u s ILE 76 Cb -0.32 -1.31 0.00 0.00 -1.58 0.00 0.00 42.46 39.25 1b2u s ILE 76 CO 0.37 0.28 0.00 0.59 -1.23 0.00 0.00 174.94 174.95 1b2u n ASN 77 N 2.19 -4.88 -4.86 3.58 3.02 -0.11 -4.51 115.26 109.69 1b2u n ASN 77 Ca -0.16 0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 54.13 1b2u n ASN 77 Cb 0.54 -3.93 -0.06 0.00 -0.61 0.00 0.00 39.78 35.71 1b2u n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b2u s TYR 78 N -2.74 3.67 0.00 3.10 5.04 -1.26 -4.92 117.35 120.24 1b2u s TYR 78 Ca 0.00 0.80 0.00 0.00 -2.44 0.00 0.00 57.07 55.43 1b2u s TYR 78 Cb 0.00 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.17 1b2u s TYR 78 CO 0.00 0.68 0.00 0.25 -1.34 0.00 0.00 175.55 175.14 1b2u n THR 79 N 1.84 0.00 -3.70 4.34 -2.24 -1.26 -4.95 114.28 108.31 1b2u n THR 79 Ca -0.16 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.55 1b2u n THR 79 Cb 0.53 -1.05 -0.02 0.00 -2.10 0.00 0.00 70.33 67.70 1b2u n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b2u s SER 80 N -4.89 -0.29 0.00 3.42 1.04 -1.26 -4.79 113.70 106.94 1b2u s SER 80 Ca 0.00 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1b2u s SER 80 Cb 0.00 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1b2u s SER 80 CO 0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1b2u n GLY 81 N -0.42 -0.07 3.80 7.32 0.00 -1.26 -4.90 105.19 109.66 1b2u n GLY 81 Ca -0.07 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 1b2u n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b2u s PHE 82 N 0.00 3.59 0.82 1.61 0.08 -1.26 -4.51 117.98 118.31 1b2u s PHE 82 Ca 0.00 1.66 -0.12 0.00 0.12 0.00 0.00 56.93 58.59 1b2u s PHE 82 Cb 0.00 -2.84 0.09 0.00 -0.57 0.00 0.00 43.02 39.70 1b2u s PHE 82 CO 0.00 0.16 1.15 1.03 -0.10 0.00 0.00 175.22 177.46 1b2u s ARG 83 N -2.32 1.67 0.01 0.44 0.52 -1.26 -5.04 118.95 112.97 1b2u s ARG 83 Ca 0.52 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 57.25 1b2u s ARG 83 Cb -0.16 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 33.51 1b2u s ARG 83 CO 0.21 -2.14 0.01 0.27 0.02 0.00 0.00 175.30 173.67 1b2u n ASN 84 N -3.58 0.90 -1.57 0.23 0.23 -1.26 -5.04 115.26 105.17 1b2u n ASN 84 Ca 0.12 -1.05 0.08 0.00 -0.53 0.00 0.00 54.58 53.20 1b2u n ASN 84 Cb 0.52 -0.00 0.34 0.00 -2.08 0.00 0.00 39.78 38.55 1b2u n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b2u n SER 85 N -2.14 4.67 -4.55 0.53 3.41 -1.26 -4.95 113.62 109.33 1b2u n SER 85 Ca 0.00 -2.54 -0.34 0.00 -0.26 0.00 0.00 58.87 55.73 1b2u n SER 85 Cb 0.02 -0.59 -0.11 0.00 -0.26 0.00 0.00 64.21 63.26 1b2u n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b2u s ASP 86 N -0.80 5.10 0.00 4.04 1.01 -1.26 -2.41 116.67 122.35 1b2u s ASP 86 Ca 0.47 -0.05 -0.03 0.00 0.71 0.00 0.00 52.55 53.65 1b2u s ASP 86 Cb 0.32 -1.85 -0.01 0.00 1.01 0.00 0.00 42.92 42.40 1b2u s ASP 86 CO 0.20 0.17 0.05 -0.13 0.21 0.00 0.00 175.17 175.67 1b2u s ARG 87 N 0.35 0.30 -0.08 8.23 1.81 -0.66 -1.44 118.95 127.45 1b2u s ARG 87 Ca -0.02 -0.35 -0.00 0.00 -1.72 0.00 0.00 55.73 53.64 1b2u s ARG 87 Cb -0.13 0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.45 1b2u s ARG 87 CO 0.02 -0.06 -0.06 -1.50 -0.68 0.00 0.00 175.30 173.02 1b2u s ILE 88 N -1.03 3.79 -0.08 1.52 2.07 -0.64 -0.64 121.20 126.21 1b2u s ILE 88 Ca -0.11 -0.44 0.04 0.00 -1.41 0.00 0.00 60.65 58.72 1b2u s ILE 88 Cb -0.07 -2.57 0.00 0.00 0.13 0.00 0.00 42.46 39.96 1b2u s ILE 88 CO 0.00 0.58 -0.19 -0.76 -1.91 0.00 0.00 174.94 172.67 1b2u s LEU 89 N -0.64 1.90 -0.02 8.50 2.01 0.17 -1.26 118.68 129.34 1b2u s LEU 89 Ca 0.10 -0.43 0.00 0.00 0.01 0.00 0.00 54.13 53.81 1b2u s LEU 89 Cb -0.12 -1.13 0.02 0.00 0.01 0.00 0.00 46.19 44.98 1b2u s LEU 89 CO 0.02 0.12 0.01 -0.72 1.01 0.00 0.00 176.35 176.79 1b2u s TYR 90 N 0.38 0.08 0.58 0.29 1.13 -0.58 0.90 117.35 120.13 1b2u s TYR 90 Ca -0.14 0.07 -0.02 0.00 -1.41 0.00 0.00 57.07 55.56 1b2u s TYR 90 Cb -0.16 -0.20 0.03 0.00 -1.10 0.00 0.00 41.96 40.53 1b2u s TYR 90 CO 0.06 -0.07 0.84 -1.54 -2.51 0.00 0.00 175.55 172.33 1b2u s SER 91 N 0.74 5.30 0.51 -0.18 1.04 -0.35 -1.89 113.70 118.87 1b2u s SER 91 Ca -0.06 0.29 0.30 0.00 0.48 0.00 0.00 55.95 56.96 1b2u s SER 91 Cb -0.09 -1.19 1.26 0.00 0.10 0.00 0.00 66.02 66.10 1b2u s SER 91 CO -0.02 -1.18 1.95 0.77 0.98 0.00 0.00 173.24 175.75 1b2u h SER 92 N -0.10 0.00 -0.84 7.02 4.64 -0.99 -0.97 113.55 122.31 1b2u h SER 92 Ca -0.44 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.46 1b2u h SER 92 Cb 1.29 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.12 1b2u h SER 92 CO 0.57 0.09 0.47 -0.90 -0.87 0.00 0.00 176.83 176.19 1b2u n ASP 93 N -3.26 3.53 -3.01 4.97 5.75 -1.26 -4.96 116.55 118.31 1b2u n ASP 93 Ca -0.00 -3.62 -0.22 0.00 -0.01 0.00 0.00 54.79 50.93 1b2u n ASP 93 Cb 0.33 -0.79 0.03 0.00 -1.03 0.00 0.00 41.12 39.67 1b2u n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b2u n TRP 94 N -1.08 -1.93 -2.64 2.11 7.02 -0.37 -5.01 117.44 115.54 1b2u n TRP 94 Ca 0.53 0.50 -0.39 0.00 -1.02 0.00 0.00 57.50 57.11 1b2u n TRP 94 Cb 1.52 -4.41 -0.05 0.00 -2.42 0.00 0.00 31.31 25.94 1b2u n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b2u s LEU 95 N -6.66 4.54 -0.05 -0.99 1.43 -1.26 -4.80 118.68 110.89 1b2u s LEU 95 Ca 0.30 2.05 0.01 0.00 -1.03 0.00 0.00 54.13 55.46 1b2u s LEU 95 Cb -0.13 -3.71 0.02 0.00 0.03 0.00 0.00 46.19 42.39 1b2u s LEU 95 CO 0.37 -0.02 -0.07 -0.63 0.23 0.00 0.00 176.35 176.23 1b2u s ILE 96 N -1.27 0.71 0.21 -0.59 1.01 -1.24 -1.21 121.20 118.82 1b2u s ILE 96 Ca 0.45 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.91 1b2u s ILE 96 Cb -0.27 -0.70 -0.05 0.00 0.01 0.00 0.00 42.46 41.45 1b2u s ILE 96 CO 0.34 0.26 -0.02 -0.31 0.00 0.00 0.00 174.94 175.21 1b2u s TYR 97 N 0.89 1.50 0.18 3.97 1.51 0.26 -1.01 117.35 124.65 1b2u s TYR 97 Ca -0.11 -0.89 0.03 0.00 -1.01 0.00 0.00 57.07 55.08 1b2u s TYR 97 Cb -0.15 -0.85 -0.05 0.00 -0.11 0.00 0.00 41.96 40.80 1b2u s TYR 97 CO 0.01 -0.02 -0.03 -1.59 -1.11 0.00 0.00 175.55 172.81 1b2u s LYS 98 N -3.84 1.15 -0.03 -0.62 -2.85 -0.61 0.46 119.74 113.41 1b2u s LYS 98 Ca 0.26 -1.55 -0.02 0.00 -1.00 0.00 0.00 55.97 53.66 1b2u s LYS 98 Cb 0.05 -0.47 0.01 0.00 -2.06 0.00 0.00 37.83 35.36 1b2u s LYS 98 CO 0.07 -0.06 0.07 -0.08 0.10 0.00 0.00 175.35 175.45 1b2u s THR 99 N -3.49 -0.00 -0.37 3.79 -1.32 0.19 -1.98 115.64 112.46 1b2u s THR 99 Ca 0.23 0.02 0.04 0.00 -1.21 0.00 0.00 61.69 60.76 1b2u s THR 99 Cb 0.05 -0.10 0.06 0.00 -1.51 0.00 0.00 72.50 71.00 1b2u s THR 99 CO 0.04 0.01 0.85 0.35 -2.21 0.00 0.00 174.62 173.66 1b2u n THR 100 N 3.14 0.51 -2.32 5.08 -2.24 -1.26 -1.65 114.28 115.54 1b2u n THR 100 Ca -0.13 -0.76 -0.21 0.00 -2.27 0.00 0.00 64.05 60.68 1b2u n THR 100 Cb 0.59 0.78 0.02 0.00 -2.10 0.00 0.00 70.33 69.62 1b2u n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b2u n ASP 101 N 0.01 4.14 -3.58 3.42 5.68 -1.24 -4.61 116.55 120.36 1b2u n ASP 101 Ca 0.03 -3.43 -0.28 0.00 -0.50 0.00 0.00 54.79 50.61 1b2u n ASP 101 Cb 0.20 -0.41 0.05 0.00 -1.14 0.00 0.00 41.12 39.82 1b2u n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1b2u n HIS 102 N -0.57 -2.04 -1.13 2.11 -0.00 -1.01 -2.77 115.22 109.82 1b2u n HIS 102 Ca 0.35 0.55 -0.04 0.00 -0.00 0.00 0.00 57.72 58.57 1b2u n HIS 102 Cb 0.84 -3.61 -0.02 0.00 -0.00 0.00 0.00 29.99 27.19 1b2u n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1b2u n TYR 103 N -3.97 0.00 -0.09 1.57 4.02 -1.26 -4.86 117.16 112.56 1b2u n TYR 103 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.68 1b2u n TYR 103 Cb 0.60 -2.00 -0.04 0.00 -0.02 0.00 0.00 39.34 37.88 1b2u n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1b2u h GLN 104 N 0.13 0.58 -4.67 -0.72 4.20 -1.94 -3.45 115.11 109.24 1b2u h GLN 104 Ca -0.09 -0.27 -0.28 0.00 0.06 0.00 0.00 58.65 58.08 1b2u h GLN 104 Cb 0.91 -0.01 -0.19 0.00 0.30 0.00 0.00 27.48 28.48 1b2u h GLN 104 CO 0.13 0.84 -0.73 0.95 -0.67 0.00 0.00 178.83 179.35 1b2u s THR 105 N -4.54 0.65 -0.01 -0.54 -4.23 -1.26 -5.12 115.64 100.59 1b2u s THR 105 Ca -0.13 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1b2u s THR 105 Cb 0.08 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.96 1b2u s THR 105 CO 0.79 -0.50 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.90 1b2u s PHE 106 N -1.97 1.04 -0.00 3.99 0.08 -1.26 -4.37 117.98 115.48 1b2u s PHE 106 Ca -0.03 -0.20 0.02 0.00 0.12 0.00 0.00 56.93 56.84 1b2u s PHE 106 Cb -0.06 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.72 1b2u s PHE 106 CO -0.01 -0.02 -0.07 0.95 -0.10 0.00 0.00 175.22 175.97 1b2u s THR 107 N -0.27 0.56 0.19 0.64 -4.23 -0.84 -4.95 115.64 106.74 1b2u s THR 107 Ca 0.04 -0.37 -0.32 0.00 -1.18 0.00 0.00 61.69 59.87 1b2u s THR 107 Cb -0.04 -0.48 -0.11 0.00 1.34 0.00 0.00 72.50 73.21 1b2u s THR 107 CO -0.00 0.11 1.61 -0.75 -0.54 0.00 0.00 174.62 175.04 1b2u s LYS 108 N -0.29 4.19 -0.17 3.99 2.20 -1.26 -1.58 119.74 126.82 1b2u s LYS 108 Ca 0.02 2.44 -0.14 0.00 -0.36 0.00 0.00 55.97 57.92 1b2u s LYS 108 Cb -0.03 -3.12 -0.06 0.00 -1.51 0.00 0.00 37.83 33.10 1b2u s LYS 108 CO -0.00 -0.64 -0.22 -0.89 -0.36 0.00 0.00 175.35 173.24 1b2u n ILE 109 N 3.83 1.47 -1.61 5.43 5.41 -0.18 -4.90 119.36 128.81 1b2u n ILE 109 Ca 0.14 0.12 0.00 0.00 1.00 0.00 0.00 62.75 64.01 1b2u n ILE 109 Cb 0.38 -2.30 0.00 0.00 -0.71 0.00 0.00 39.64 37.00 1b2u n ILE 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09