#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2u s GLN 2 N 0.00 4.22 -0.02 0.00 -0.21 -1.26 -5.04 119.66 117.34 1b2u s GLN 2 Ca 0.00 1.02 0.02 0.00 0.02 0.00 0.00 55.36 56.43 1b2u s GLN 2 Cb 0.00 -3.63 0.00 0.00 1.00 0.00 0.00 33.01 30.38 1b2u s GLN 2 CO 0.00 -0.49 -0.08 0.08 -2.12 0.00 0.00 175.29 172.68 1b2u s VAL 3 N 2.74 0.69 -0.19 1.09 1.01 -1.26 -4.43 120.40 120.04 1b2u s VAL 3 Ca 0.37 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1b2u s VAL 3 Cb -0.16 -0.62 0.06 0.00 0.00 0.00 0.00 36.38 35.67 1b2u s VAL 3 CO 0.08 0.22 0.03 -0.63 0.00 0.00 0.00 175.10 174.80 1b2u s ILE 4 N 0.17 0.58 0.00 2.22 1.01 -1.26 -5.04 121.20 118.88 1b2u s ILE 4 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1b2u s ILE 4 Cb -0.08 -1.07 0.00 0.00 0.01 0.00 0.00 42.46 41.33 1b2u s ILE 4 CO 0.00 -0.20 0.62 -0.46 0.00 0.00 0.00 174.94 174.91 1b2u n ASN 5 N 5.03 0.00 -4.97 3.58 6.94 -1.26 -4.79 115.26 119.79 1b2u n ASN 5 Ca -0.09 -1.33 -0.21 0.00 -0.02 0.00 0.00 54.58 52.93 1b2u n ASN 5 Cb 0.47 -0.07 0.01 0.00 -2.36 0.00 0.00 39.78 37.83 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 0.00 3.85 0.09 5.53 -4.23 -1.26 -0.33 115.64 119.29 1b2u s THR 6 Ca 0.00 -0.72 -0.20 0.00 -1.18 0.00 0.00 61.69 59.59 1b2u s THR 6 Cb 0.00 -3.39 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 1b2u s THR 6 CO 0.00 -0.22 1.62 -0.26 -0.54 0.00 0.00 174.62 175.22 1b2u h PHE 7 N 0.56 0.29 -0.15 3.99 0.04 -1.99 -0.36 116.94 119.32 1b2u h PHE 7 Ca -0.45 -0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.14 1b2u h PHE 7 Cb 1.26 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.31 1b2u h PHE 7 CO 0.43 0.35 -0.55 -0.44 -0.60 0.00 0.00 178.31 177.50 1b2u h ASP 8 N 0.15 0.50 -0.59 2.17 3.32 -1.98 -1.33 116.42 118.65 1b2u h ASP 8 Ca 0.06 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 1b2u h ASP 8 Cb 0.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1b2u h ASP 8 CO -0.00 0.95 0.00 1.23 -1.72 0.00 0.00 179.24 179.70 1b2u h GLY 9 N 1.18 1.12 1.35 2.75 0.00 -1.94 0.21 103.07 107.75 1b2u h GLY 9 Ca 0.01 -0.82 -0.31 0.00 0.00 0.00 0.00 47.33 46.21 1b2u h GLY 9 CO 0.10 0.76 -1.44 -2.08 0.00 0.00 0.00 176.54 173.87 1b2u h VAL 10 N 0.93 1.28 -0.12 4.60 2.07 -1.06 -1.39 116.25 122.57 1b2u h VAL 10 Ca 0.17 -2.85 0.02 0.00 0.82 0.00 0.00 66.70 64.86 1b2u h VAL 10 Cb 0.55 2.89 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 1b2u h VAL 10 CO 0.03 0.85 0.00 0.00 0.02 0.00 0.00 177.57 178.47 1b2u h ALA 11 N 0.42 0.10 -0.82 1.67 0.00 -1.18 0.38 119.26 119.82 1b2u h ALA 11 Ca -0.22 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1b2u h ALA 11 Cb 2.04 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.84 1b2u h ALA 11 CO 0.20 -0.45 0.38 -0.44 0.00 0.00 0.00 179.25 178.94 1b2u h ASP 12 N 0.05 1.09 -0.03 0.00 3.32 -0.61 -1.79 116.42 118.45 1b2u h ASP 12 Ca 0.05 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1b2u h ASP 12 Cb 0.06 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 1b2u h ASP 12 CO -0.09 0.93 0.01 0.22 -1.72 0.00 0.00 179.24 178.59 1b2u h TYR 13 N 1.17 0.04 -0.60 4.55 5.03 -0.89 -0.50 116.97 125.77 1b2u h TYR 13 Ca 0.28 -0.00 0.09 0.00 2.58 0.00 0.00 58.73 61.68 1b2u h TYR 13 Cb 0.14 -0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.34 1b2u h TYR 13 CO 0.02 0.15 0.23 -0.07 -1.32 0.00 0.00 178.16 177.17 1b2u h LEU 14 N -0.08 0.25 -0.43 2.82 3.38 -0.03 0.15 115.31 121.36 1b2u h LEU 14 Ca 0.01 0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.87 1b2u h LEU 14 Cb 0.13 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1b2u h LEU 14 CO -0.00 0.15 -0.76 1.56 0.09 0.00 0.00 178.44 179.48 1b2u h GLN 15 N 0.42 0.24 0.01 1.13 4.20 -1.11 0.25 115.11 120.24 1b2u h GLN 15 Ca 0.30 -0.21 -0.00 0.00 0.06 0.00 0.00 58.65 58.80 1b2u h GLN 15 Cb 0.35 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1b2u h GLN 15 CO -0.29 0.89 -0.01 1.15 -0.67 0.00 0.00 178.83 179.90 1b2u h THR 16 N 0.15 1.56 -0.00 -0.54 2.02 -0.89 -3.38 112.91 111.82 1b2u h THR 16 Ca -0.03 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.22 1b2u h THR 16 Cb 1.34 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.57 1b2u h THR 16 CO 0.12 0.48 -0.86 -1.22 0.37 0.00 0.00 175.52 174.41 1b2u n TYR 17 N -4.70 0.00 -3.45 3.16 4.01 0.49 -4.98 117.16 111.69 1b2u n TYR 17 Ca -0.09 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.44 1b2u n TYR 17 Cb 0.39 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.46 1b2u n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b2u n HIS 18 N -1.28 -2.50 -3.55 -0.72 8.25 0.86 -4.97 115.22 111.31 1b2u n HIS 18 Ca 0.05 0.88 -0.07 0.00 -0.26 0.00 0.00 57.72 58.32 1b2u n HIS 18 Cb 0.35 -4.50 -0.02 0.00 1.12 0.00 0.00 29.99 26.94 1b2u n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b2u s LYS 19 N -6.14 0.73 0.55 -0.41 -2.85 -1.25 -5.07 119.74 105.30 1b2u s LYS 19 Ca 0.51 -0.29 -0.15 0.00 -1.00 0.00 0.00 55.97 55.03 1b2u s LYS 19 Cb -0.22 0.32 -0.06 0.00 -2.06 0.00 0.00 37.83 35.80 1b2u s LYS 19 CO 0.63 -0.32 1.00 -0.51 0.10 0.00 0.00 175.35 176.25 1b2u s LEU 20 N -2.48 3.53 0.85 2.77 1.43 -1.26 -3.93 118.68 119.58 1b2u s LEU 20 Ca 0.07 1.58 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 1b2u s LEU 20 Cb -0.01 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.80 1b2u s LEU 20 CO -0.07 -0.74 1.08 -2.65 0.23 0.00 0.00 176.35 174.20 1b2u n PRO 21 N -1.87 -0.02 0.00 1.29 -0.02 -1.26 -4.89 135.00 128.22 1b2u n PRO 21 Ca 0.07 0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.66 1b2u n PRO 21 Cb 0.54 -2.34 0.23 0.00 -0.02 0.00 0.00 33.50 31.91 1b2u n PRO 21 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1b2u n ASP 22 N -3.19 0.00 -0.63 2.55 9.92 -1.26 -2.56 116.55 121.39 1b2u n ASP 22 Ca 0.12 0.14 0.03 0.00 -0.53 0.00 0.00 54.79 54.55 1b2u n ASP 22 Cb 0.51 -0.27 0.11 0.00 -0.64 0.00 0.00 41.12 40.82 1b2u n ASP 22 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1b2u n ASN 23 N -1.27 1.71 -4.54 -2.24 6.94 -1.26 -4.86 115.26 109.74 1b2u n ASN 23 Ca 0.04 -2.12 -0.34 0.00 -0.02 0.00 0.00 54.58 52.15 1b2u n ASN 23 Cb 0.07 -0.33 -0.12 0.00 -2.36 0.00 0.00 39.78 37.04 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 -1.62 2.90 0.05 -2.53 2.02 -1.06 -1.17 117.35 115.95 1b2u s TYR 24 Ca 0.15 -0.10 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 1b2u s TYR 24 Cb 0.10 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.89 1b2u s TYR 24 CO 0.08 0.22 -0.10 0.96 -1.57 0.00 0.00 175.55 175.14 1b2u s ILE 25 N -0.56 0.71 0.84 2.71 -4.36 0.19 -4.83 121.20 115.90 1b2u s ILE 25 Ca 0.08 -1.20 -0.11 0.00 -0.26 0.00 0.00 60.65 59.16 1b2u s ILE 25 Cb -0.12 -0.80 0.09 0.00 1.25 0.00 0.00 42.46 42.88 1b2u s ILE 25 CO 0.02 -0.37 1.09 0.42 0.24 0.00 0.00 174.94 176.34 1b2u s THR 26 N -1.48 2.97 0.37 8.37 -4.23 -1.18 0.33 115.64 120.79 1b2u s THR 26 Ca -0.06 0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.84 1b2u s THR 26 Cb -0.09 -2.89 0.30 0.00 1.34 0.00 0.00 72.50 71.16 1b2u s THR 26 CO 0.01 -0.41 1.95 0.00 -0.54 0.00 0.00 174.62 175.63 1b2u h ALA 27 N -1.30 1.78 0.03 3.99 0.00 -1.95 -1.18 119.26 120.63 1b2u h ALA 27 Ca -0.47 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 1b2u h ALA 27 Cb 1.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1b2u h ALA 27 CO 0.56 0.08 -1.03 0.66 0.00 0.00 0.00 179.25 179.52 1b2u h SER 28 N 0.68 0.11 -0.66 0.00 4.64 -1.98 0.77 113.55 117.10 1b2u h SER 28 Ca 0.32 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.48 1b2u h SER 28 Cb 0.38 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.40 1b2u h SER 28 CO -0.11 1.06 0.23 -0.33 -0.87 0.00 0.00 176.83 176.81 1b2u h GLU 29 N 0.02 1.04 -0.18 4.77 5.08 -1.87 0.47 114.58 123.92 1b2u h GLU 29 Ca -0.04 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1b2u h GLU 29 Cb 1.77 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 1b2u h GLU 29 CO 0.14 0.88 -0.07 0.00 -1.00 0.00 0.00 179.01 178.97 1b2u h ALA 30 N 1.24 0.25 -0.45 3.43 0.00 -0.90 -2.43 119.26 120.38 1b2u h ALA 30 Ca 0.23 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1b2u h ALA 30 Cb 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1b2u h ALA 30 CO -0.01 0.04 0.28 1.96 0.00 0.00 0.00 179.25 181.52 1b2u h GLN 31 N 0.05 0.55 -0.19 0.00 4.20 -0.73 0.15 115.11 119.14 1b2u h GLN 31 Ca 0.04 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1b2u h GLN 31 Cb 0.54 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1b2u h GLN 31 CO 0.02 0.36 0.14 0.00 -0.67 0.00 0.00 178.83 178.68 1b2u h ALA 32 N 1.19 2.16 0.00 3.87 0.00 -0.79 0.20 119.26 125.90 1b2u h ALA 32 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1b2u h ALA 32 Cb -0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1b2u h ALA 32 CO -0.07 -0.23 0.00 -0.07 0.00 0.00 0.00 179.25 178.88 1b2u h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -0.83 -3.46 115.31 114.40 1b2u h LEU 33 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1b2u h LEU 33 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1b2u h LEU 33 CO -0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1b2u n GLY 34 N 1.03 0.53 3.78 0.83 0.00 0.06 -4.85 105.19 106.56 1b2u n GLY 34 Ca 0.05 0.00 -0.41 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 -1.42 2.58 -0.30 1.61 -0.00 0.44 -4.96 118.94 116.90 1b2u s TRP 35 Ca 0.00 1.15 -0.02 0.00 -0.00 0.00 0.00 56.10 57.23 1b2u s TRP 35 Cb 0.00 -4.03 0.10 0.00 -0.00 0.00 0.00 33.47 29.53 1b2u s TRP 35 CO 0.00 -3.04 0.10 0.08 -0.00 0.00 0.00 176.95 174.09 1b2u s VAL 36 N -1.07 0.58 0.30 5.86 1.01 -1.26 -4.48 120.40 121.34 1b2u s VAL 36 Ca 0.53 -1.17 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1b2u s VAL 36 Cb -0.47 -1.44 0.29 0.00 0.00 0.00 0.00 36.38 34.77 1b2u s VAL 36 CO 0.63 -0.67 1.71 0.00 0.00 0.00 0.00 175.10 176.77 1b2u h ALA 37 N 8.19 1.56 0.00 5.51 0.00 -1.99 0.35 119.26 132.88 1b2u h ALA 37 Ca -0.16 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b2u h ALA 37 Cb 1.02 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1b2u h ALA 37 CO 0.46 -0.29 0.00 0.66 0.00 0.00 0.00 179.25 180.07 1b2u h SER 38 N 0.49 0.00 1.75 0.00 4.64 -2.02 -2.33 113.55 116.08 1b2u h SER 38 Ca 0.59 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.90 1b2u h SER 38 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1b2u h SER 38 CO -0.50 0.00 -0.25 0.11 -0.87 0.00 0.00 176.83 175.33 1b2u h LYS 39 N 0.00 0.00 -5.55 4.77 1.57 -1.37 -3.48 116.57 112.51 1b2u h LYS 39 Ca 0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1b2u h LYS 39 Cb 0.57 0.00 0.15 0.00 0.08 0.00 0.00 32.23 33.02 1b2u h LYS 39 CO 0.00 0.03 -0.69 0.41 -0.57 0.00 0.00 179.45 178.63 1b2u n GLY 40 N 1.13 -0.41 1.23 3.86 0.00 -0.88 -4.92 105.19 105.19 1b2u n GLY 40 Ca 0.03 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.90 3.90 -0.12 1.61 6.94 -1.26 -3.83 115.26 119.59 1b2u n ASN 41 Ca -0.12 -3.21 -0.05 0.00 -0.02 0.00 0.00 54.58 51.18 1b2u n ASN 41 Cb 0.60 -0.61 0.03 0.00 -2.36 0.00 0.00 39.78 37.44 1b2u n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b2u h LEU 42 N 1.92 0.05 -2.71 -4.53 5.85 -1.88 -1.04 115.31 112.97 1b2u h LEU 42 Ca 0.10 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1b2u h LEU 42 Cb 1.71 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 1b2u h LEU 42 CO 0.38 0.06 -0.01 0.00 -0.34 0.00 0.00 178.44 178.54 1b2u h ALA 43 N 1.30 1.19 0.00 1.25 0.00 -1.84 0.26 119.26 121.41 1b2u h ALA 43 Ca 0.19 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1b2u h ALA 43 Cb 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1b2u h ALA 43 CO -0.24 0.01 -0.92 -0.44 0.00 0.00 0.00 179.25 177.66 1b2u h ASP 44 N 0.00 0.00 0.15 0.00 3.32 -1.56 -2.91 116.42 115.42 1b2u h ASP 44 Ca -0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1b2u h ASP 44 Cb 0.04 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.56 1b2u h ASP 44 CO 0.00 0.92 -1.99 1.33 -1.72 0.00 0.00 179.24 177.78 1b2u n VAL 45 N -3.36 0.62 -3.06 -1.35 0.24 -0.81 -4.74 118.33 105.88 1b2u n VAL 45 Ca 0.00 -0.64 -0.17 0.00 -2.04 0.00 0.00 64.34 61.49 1b2u n VAL 45 Cb 0.90 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.97 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 -2.42 0.82 -1.75 2.33 0.00 0.84 -4.92 120.51 115.40 1b2u n ALA 46 Ca -0.14 -2.41 -0.42 0.00 0.00 0.00 0.00 53.44 50.47 1b2u n ALA 46 Cb 0.79 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 19.16 1b2u n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1b2u s PRO 47 N -0.05 4.13 0.00 0.00 0.04 -1.10 -1.45 135.00 136.57 1b2u s PRO 47 Ca 0.33 2.58 0.00 0.00 0.04 0.00 0.00 61.00 63.95 1b2u s PRO 47 Cb 0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1b2u s PRO 47 CO -0.16 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.57 1b2u n GLY 48 N 3.78 0.53 3.88 0.56 0.00 -1.26 -5.00 105.19 107.67 1b2u n GLY 48 Ca 0.15 0.00 -0.28 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 -0.27 3.24 0.15 1.61 -0.14 -0.53 -4.82 119.74 118.99 1b2u s LYS 49 Ca 0.00 -0.62 0.08 0.00 -1.36 0.00 0.00 55.97 54.07 1b2u s LYS 49 Cb 0.00 -2.89 -0.04 0.00 -1.68 0.00 0.00 37.83 33.22 1b2u s LYS 49 CO 0.00 0.55 -0.17 -1.12 -0.76 0.00 0.00 175.35 173.85 1b2u s SER 50 N -2.83 2.51 -0.08 2.83 0.01 -0.32 -4.81 113.70 111.01 1b2u s SER 50 Ca 0.33 -0.85 -0.30 0.00 1.31 0.00 0.00 55.95 56.45 1b2u s SER 50 Cb -0.12 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1b2u s SER 50 CO 0.26 -0.06 1.36 -0.63 0.41 0.00 0.00 173.24 174.59 1b2u s ILE 51 N -2.05 3.99 0.17 1.44 -1.09 -1.26 -0.64 121.20 121.75 1b2u s ILE 51 Ca 0.14 1.27 -0.24 0.00 -2.23 0.00 0.00 60.65 59.59 1b2u s ILE 51 Cb -0.06 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 1b2u s ILE 51 CO 0.06 -0.06 0.71 -0.83 -1.23 0.00 0.00 174.94 173.58 1b2u s GLY 52 N 2.12 -0.42 0.00 6.18 0.00 0.15 -0.91 107.32 114.45 1b2u s GLY 52 Ca 0.61 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.65 1b2u s GLY 52 CO 0.22 0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.03 1b2u n GLY 53 N -0.39 0.49 3.82 0.20 0.00 0.18 -3.12 105.19 106.37 1b2u n GLY 53 Ca -0.11 0.00 -0.33 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 -2.70 6.64 0.30 1.61 1.01 -1.21 -4.75 116.67 117.57 1b2u s ASP 54 Ca 0.00 1.72 -0.30 0.00 0.71 0.00 0.00 52.55 54.68 1b2u s ASP 54 Cb 0.00 -2.54 -0.12 0.00 1.01 0.00 0.00 42.92 41.28 1b2u s ASP 54 CO 0.00 -0.57 1.59 -0.38 0.21 0.00 0.00 175.17 176.01 1b2u n ILE 55 N -1.06 1.08 -3.84 0.77 5.41 -1.26 -1.63 119.36 118.82 1b2u n ILE 55 Ca 0.08 -0.27 -0.36 0.00 1.00 0.00 0.00 62.75 63.20 1b2u n ILE 55 Cb 0.54 -1.96 -0.13 0.00 -0.71 0.00 0.00 39.64 37.38 1b2u n ILE 55 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1b2u s PHE 56 N -0.07 3.09 0.06 1.39 5.36 -0.18 -4.74 117.98 122.89 1b2u s PHE 56 Ca 0.63 -1.12 0.25 0.00 -0.96 0.00 0.00 56.93 55.74 1b2u s PHE 56 Cb -0.50 -2.17 0.88 0.00 -0.34 0.00 0.00 43.02 40.89 1b2u s PHE 56 CO 0.49 -0.61 1.81 0.77 -1.46 0.00 0.00 175.22 176.22 1b2u h SER 57 N 8.15 0.00 -6.15 6.13 0.02 -1.94 -3.36 113.55 116.40 1b2u h SER 57 Ca -0.34 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.18 1b2u h SER 57 Cb 1.13 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.70 1b2u h SER 57 CO 0.59 0.19 -0.83 -3.20 -1.14 0.00 0.00 176.83 172.44 1b2u n ASN 58 N -3.30 -1.35 -0.26 3.07 5.15 -1.26 -4.87 115.26 112.43 1b2u n ASN 58 Ca 0.01 -0.84 -0.04 0.00 -0.60 0.00 0.00 54.58 53.11 1b2u n ASN 58 Cb 0.44 -3.94 0.07 0.00 -0.53 0.00 0.00 39.78 35.82 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 -1.88 0.93 -0.20 1.20 3.08 -1.99 -1.94 114.38 113.58 1b2u h ARG 59 Ca -0.61 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1b2u h ARG 59 Cb 1.36 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1b2u h ARG 59 CO 0.58 0.61 0.00 0.39 -1.07 0.00 0.00 179.97 180.48 1b2u n GLU 60 N -4.60 1.68 -1.66 0.04 1.02 -1.26 -4.93 120.64 110.92 1b2u n GLU 60 Ca 0.07 -1.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.03 1b2u n GLU 60 Cb 0.05 -1.35 -0.05 0.00 -0.02 0.00 0.00 31.44 30.07 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 1.07 1.12 0.21 0.62 0.00 -0.73 -4.90 105.19 102.58 1b2u n GLY 61 Ca 0.14 -0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.00 -5.89 1.61 1.57 -1.92 -3.43 116.57 108.51 1b2u h LYS 62 Ca -0.33 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.77 1b2u h LYS 62 Cb 1.08 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.26 1b2u h LYS 62 CO 0.46 0.00 -0.59 -0.51 -0.57 0.00 0.00 179.45 178.24 1b2u s LEU 63 N -5.67 3.77 -0.16 2.94 1.43 -1.26 -4.97 118.68 114.75 1b2u s LEU 63 Ca 0.05 0.22 -0.37 0.00 -1.03 0.00 0.00 54.13 53.00 1b2u s LEU 63 Cb 0.08 -1.88 -0.14 0.00 0.03 0.00 0.00 46.19 44.29 1b2u s LEU 63 CO 0.58 0.38 1.81 -2.65 0.23 0.00 0.00 176.35 176.70 1b2u n PRO 64 N 2.12 1.72 -4.22 1.29 -0.02 -1.26 -4.97 135.00 129.66 1b2u n PRO 64 Ca -0.19 0.63 -0.32 0.00 -2.02 0.00 0.00 63.50 61.60 1b2u n PRO 64 Cb 0.54 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.53 1b2u n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1b2u s GLY 65 N 3.72 1.91 -0.01 -1.23 0.00 -1.26 -5.10 107.32 105.35 1b2u s GLY 65 Ca 0.95 -0.98 -0.20 0.00 0.00 0.00 0.00 44.72 44.49 1b2u s GLY 65 CO 0.57 -0.88 0.43 -1.59 0.00 0.00 0.00 173.10 171.64 1b2u s LYS 66 N -1.77 0.83 0.33 2.90 -2.85 -1.26 -5.08 119.74 112.84 1b2u s LYS 66 Ca 0.22 -0.10 -0.28 0.00 -1.00 0.00 0.00 55.97 54.81 1b2u s LYS 66 Cb -0.12 0.37 -0.13 0.00 -2.06 0.00 0.00 37.83 35.90 1b2u s LYS 66 CO 0.13 -0.25 1.23 0.45 0.10 0.00 0.00 175.35 177.01 1b2u n SER 67 N 1.02 2.46 0.00 0.03 2.88 -1.26 -1.22 113.62 117.54 1b2u n SER 67 Ca -0.20 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1b2u n SER 67 Cb 0.57 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1b2u n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b2u n GLY 68 N 0.86 2.79 3.61 0.46 0.00 -1.26 -5.04 105.19 106.61 1b2u n GLY 68 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.07 3.95 0.25 1.61 3.52 -0.35 -4.97 118.95 122.87 1b2u s ARG 69 Ca 0.00 -0.34 0.10 0.00 -0.13 0.00 0.00 55.73 55.36 1b2u s ARG 69 Cb 0.00 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1b2u s ARG 69 CO 0.00 0.10 -0.10 0.95 -0.81 0.00 0.00 175.30 175.44 1b2u s THR 70 N 0.89 3.03 0.14 4.11 -4.23 -1.26 -4.62 115.64 113.70 1b2u s THR 70 Ca 0.05 -2.01 0.11 0.00 -1.18 0.00 0.00 61.69 58.66 1b2u s THR 70 Cb -0.13 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.09 1b2u s THR 70 CO 0.03 -0.30 -0.25 0.26 -0.54 0.00 0.00 174.62 173.81 1b2u s TRP 71 N -2.19 2.21 0.10 3.99 0.52 -1.26 -1.06 118.94 121.25 1b2u s TRP 71 Ca 0.29 -0.38 -0.01 0.00 0.02 0.00 0.00 56.10 56.01 1b2u s TRP 71 Cb -0.07 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 1b2u s TRP 71 CO 0.17 0.36 0.02 1.03 0.02 0.00 0.00 176.95 178.55 1b2u s ARG 72 N -2.21 0.81 0.12 4.98 0.52 -0.57 -1.02 118.95 121.59 1b2u s ARG 72 Ca 0.15 -1.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.00 1b2u s ARG 72 Cb -0.09 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.56 1b2u s ARG 72 CO 0.07 -0.20 -0.01 -1.83 0.02 0.00 0.00 175.30 173.34 1b2u s GLU 73 N -4.00 0.92 -0.12 3.54 -1.05 -0.65 -2.21 118.70 115.13 1b2u s GLU 73 Ca 0.18 -1.41 -0.23 0.00 -0.15 0.00 0.00 54.97 53.36 1b2u s GLU 73 Cb 0.08 -0.06 0.06 0.00 -0.44 0.00 0.00 34.13 33.76 1b2u s GLU 73 CO -0.03 -0.13 0.57 0.00 0.95 0.00 0.00 175.26 176.63 1b2u s ALA 74 N -3.78 -1.44 0.40 -0.84 0.00 -0.43 0.51 121.76 116.17 1b2u s ALA 74 Ca 0.18 1.28 -0.25 0.00 0.00 0.00 0.00 51.96 53.17 1b2u s ALA 74 Cb 0.06 -0.41 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 1b2u s ALA 74 CO -0.01 -0.31 1.13 -0.51 0.00 0.00 0.00 175.76 176.06 1b2u s ASP 75 N -0.56 6.58 0.05 0.00 1.11 -0.09 -0.35 116.67 123.41 1b2u s ASP 75 Ca -0.07 2.25 0.07 0.00 0.18 0.00 0.00 52.55 54.98 1b2u s ASP 75 Cb -0.03 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.33 1b2u s ASP 75 CO 0.05 -0.63 -0.20 -0.63 1.18 0.00 0.00 175.17 174.94 1b2u s ILE 76 N -1.49 1.62 -1.40 0.77 -1.09 -0.73 -4.71 121.20 114.16 1b2u s ILE 76 Ca 0.57 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1b2u s ILE 76 Cb -0.28 -1.42 0.00 0.00 -1.58 0.00 0.00 42.46 39.18 1b2u s ILE 76 CO 0.35 0.15 0.00 0.59 -1.23 0.00 0.00 174.94 174.80 1b2u n ASN 77 N 1.75 -4.78 -4.88 3.58 3.02 0.55 -4.61 115.26 109.88 1b2u n ASN 77 Ca -0.18 0.03 -0.35 0.00 -0.03 0.00 0.00 54.58 54.05 1b2u n ASN 77 Cb 0.53 -3.88 -0.06 0.00 -0.61 0.00 0.00 39.78 35.77 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 -2.78 3.56 0.00 3.10 5.04 -1.26 -4.96 117.35 120.05 1b2u s TYR 78 Ca 0.00 0.43 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 1b2u s TYR 78 Cb 0.00 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.43 1b2u s TYR 78 CO 0.00 0.68 0.00 2.41 -1.34 0.00 0.00 175.55 177.30 1b2u n THR 79 N 1.47 0.00 -3.78 4.34 -1.04 -1.26 -4.89 114.28 109.11 1b2u n THR 79 Ca -0.15 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.82 1b2u n THR 79 Cb 0.54 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 68.15 1b2u n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b2u s SER 80 N -4.65 -0.16 0.00 8.00 1.04 -1.26 -4.72 113.70 111.94 1b2u s SER 80 Ca 0.00 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1b2u s SER 80 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1b2u s SER 80 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 1b2u n GLY 81 N -0.49 -1.54 3.77 7.32 0.00 -1.25 -4.88 105.19 108.12 1b2u n GLY 81 Ca -0.06 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 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 2.98 0.63 1.61 0.08 -1.26 -4.67 117.98 117.35 1b2u s PHE 82 Ca 0.00 1.52 -0.17 0.00 0.12 0.00 0.00 56.93 58.40 1b2u s PHE 82 Cb 0.00 -3.45 -0.02 0.00 -0.57 0.00 0.00 43.02 38.98 1b2u s PHE 82 CO 0.00 -1.52 1.19 1.03 -0.10 0.00 0.00 175.22 175.82 1b2u s ARG 83 N -2.35 2.78 0.00 0.44 0.52 -1.26 -5.04 118.95 114.04 1b2u s ARG 83 Ca 0.58 1.75 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 1b2u s ARG 83 Cb -0.32 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.24 1b2u s ARG 83 CO 0.40 -1.34 0.00 0.27 0.02 0.00 0.00 175.30 174.65 1b2u n ASN 84 N -1.93 0.00 -1.87 0.23 0.23 -1.26 -5.03 115.26 105.62 1b2u n ASN 84 Ca 0.13 -0.61 0.07 0.00 -0.53 0.00 0.00 54.58 53.65 1b2u n ASN 84 Cb 0.50 0.00 0.40 0.00 -2.08 0.00 0.00 39.78 38.60 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 -1.82 5.66 -4.44 0.53 3.41 -1.26 -4.97 113.62 110.72 1b2u n SER 85 Ca 0.00 -2.88 -0.33 0.00 -0.26 0.00 0.00 58.87 55.41 1b2u n SER 85 Cb 0.00 -0.68 -0.13 0.00 -0.26 0.00 0.00 64.21 63.14 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 4.09 0.03 4.04 1.01 -1.26 -1.76 116.67 122.01 1b2u s ASP 86 Ca 0.55 -0.23 -0.12 0.00 0.71 0.00 0.00 52.55 53.46 1b2u s ASP 86 Cb 0.41 -1.21 0.01 0.00 1.01 0.00 0.00 42.92 43.14 1b2u s ASP 86 CO 0.17 0.27 0.24 -0.13 0.21 0.00 0.00 175.17 175.93 1b2u s ARG 87 N -0.26 0.70 0.02 8.23 1.81 -0.50 -1.78 118.95 127.16 1b2u s ARG 87 Ca 0.02 -0.48 0.05 0.00 -1.72 0.00 0.00 55.73 53.60 1b2u s ARG 87 Cb -0.13 0.30 -0.03 0.00 -0.45 0.00 0.00 34.95 34.64 1b2u s ARG 87 CO 0.03 -0.20 -0.13 -1.50 -0.68 0.00 0.00 175.30 172.81 1b2u s ILE 88 N -2.18 3.15 -0.09 1.52 2.07 0.52 -1.57 121.20 124.63 1b2u s ILE 88 Ca -0.08 -0.97 0.04 0.00 -1.41 0.00 0.00 60.65 58.23 1b2u s ILE 88 Cb -0.03 -2.34 0.00 0.00 0.13 0.00 0.00 42.46 40.23 1b2u s ILE 88 CO -0.01 0.39 -0.22 -0.76 -1.91 0.00 0.00 174.94 172.43 1b2u s LEU 89 N -1.34 1.99 -0.03 8.50 2.01 0.47 -1.32 118.68 128.97 1b2u s LEU 89 Ca 0.15 -0.50 -0.03 0.00 0.01 0.00 0.00 54.13 53.77 1b2u s LEU 89 Cb -0.11 -1.28 0.01 0.00 0.01 0.00 0.00 46.19 44.82 1b2u s LEU 89 CO 0.06 0.14 0.08 -0.72 1.01 0.00 0.00 176.35 176.92 1b2u s TYR 90 N 0.38 -0.09 0.63 0.29 1.13 -0.94 0.37 117.35 119.12 1b2u s TYR 90 Ca -0.17 0.23 0.03 0.00 -1.41 0.00 0.00 57.07 55.75 1b2u s TYR 90 Cb -0.17 0.01 0.09 0.00 -1.10 0.00 0.00 41.96 40.79 1b2u s TYR 90 CO 0.08 -0.05 0.88 -1.54 -2.51 0.00 0.00 175.55 172.40 1b2u s SER 91 N 0.18 4.78 0.54 -0.18 1.04 -0.55 -1.51 113.70 118.00 1b2u s SER 91 Ca -0.01 -0.47 0.33 0.00 0.48 0.00 0.00 55.95 56.27 1b2u s SER 91 Cb -0.02 -0.07 1.35 0.00 0.10 0.00 0.00 66.02 67.38 1b2u s SER 91 CO -0.01 -1.54 1.98 0.77 0.98 0.00 0.00 173.24 175.43 1b2u h SER 92 N -0.16 0.00 -0.48 7.02 4.64 -1.46 -1.83 113.55 121.29 1b2u h SER 92 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1b2u h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1b2u h SER 92 CO 0.42 0.03 0.00 -0.90 -0.87 0.00 0.00 176.83 175.52 1b2u n ASP 93 N -3.15 5.01 -2.14 4.97 5.75 -1.26 -4.97 116.55 120.75 1b2u n ASP 93 Ca 0.00 -2.90 -0.16 0.00 -0.01 0.00 0.00 54.79 51.72 1b2u n ASP 93 Cb 0.31 -0.62 0.02 0.00 -1.03 0.00 0.00 41.12 39.80 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 0.30 -1.23 -2.72 2.11 7.02 -0.69 -5.04 117.44 117.19 1b2u n TRP 94 Ca 0.25 0.26 -0.33 0.00 -1.02 0.00 0.00 57.50 56.66 1b2u n TRP 94 Cb 1.06 -3.51 -0.06 0.00 -2.42 0.00 0.00 31.31 26.38 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 -4.94 3.90 -0.07 -0.99 1.43 -1.26 -4.79 118.68 111.96 1b2u s LEU 95 Ca 0.15 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 1b2u s LEU 95 Cb -0.07 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.63 1b2u s LEU 95 CO 0.18 -0.50 -0.04 -0.63 0.23 0.00 0.00 176.35 175.59 1b2u s ILE 96 N -2.13 0.61 0.37 -0.59 -1.09 -1.26 -1.48 121.20 115.62 1b2u s ILE 96 Ca 0.64 -0.10 0.04 0.00 -2.23 0.00 0.00 60.65 59.00 1b2u s ILE 96 Cb -0.11 -0.66 -0.05 0.00 -1.58 0.00 0.00 42.46 40.05 1b2u s ILE 96 CO 0.16 0.27 0.06 -0.31 -1.23 0.00 0.00 174.94 173.88 1b2u s TYR 97 N 1.36 2.03 0.18 3.97 1.51 0.16 -1.80 117.35 124.77 1b2u s TYR 97 Ca -0.04 -0.96 -0.02 0.00 -1.01 0.00 0.00 57.07 55.04 1b2u s TYR 97 Cb -0.13 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1b2u s TYR 97 CO -0.03 0.06 0.14 -1.59 -1.11 0.00 0.00 175.55 173.02 1b2u s LYS 98 N -3.83 1.15 0.01 -0.62 -2.85 0.09 -0.39 119.74 113.30 1b2u s LYS 98 Ca 0.31 -1.54 0.01 0.00 -1.00 0.00 0.00 55.97 53.75 1b2u s LYS 98 Cb 0.07 0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 1b2u s LYS 98 CO 0.15 -0.38 -0.04 -0.08 0.10 0.00 0.00 175.35 175.10 1b2u s THR 99 N -4.12 0.24 -0.13 3.79 -1.32 -0.61 -0.85 115.64 112.65 1b2u s THR 99 Ca 0.34 -0.49 0.01 0.00 -1.21 0.00 0.00 61.69 60.34 1b2u s THR 99 Cb 0.06 -0.28 0.02 0.00 -1.51 0.00 0.00 72.50 70.79 1b2u s THR 99 CO 0.09 -0.17 0.68 0.35 -2.21 0.00 0.00 174.62 173.37 1b2u n THR 100 N 2.37 0.30 -2.22 5.08 -2.24 -1.26 -1.41 114.28 114.91 1b2u n THR 100 Ca -0.17 -0.65 -0.19 0.00 -2.27 0.00 0.00 64.05 60.77 1b2u n THR 100 Cb 0.57 0.87 0.03 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.07 4.17 -3.50 3.42 5.68 -1.24 -4.66 116.55 120.35 1b2u n ASP 101 Ca 0.01 -3.37 -0.23 0.00 -0.50 0.00 0.00 54.79 50.70 1b2u n ASP 101 Cb 0.10 -0.38 0.04 0.00 -1.14 0.00 0.00 41.12 39.75 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 -0.67 -2.20 -1.24 2.11 -0.00 -0.72 -3.00 115.22 109.49 1b2u n HIS 102 Ca 0.36 0.67 -0.08 0.00 -0.00 0.00 0.00 57.72 58.66 1b2u n HIS 102 Cb 0.92 -3.65 -0.04 0.00 -0.00 0.00 0.00 29.99 27.23 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 -3.52 0.00 0.06 1.57 4.01 -1.26 -4.87 117.16 113.15 1b2u n TYR 103 Ca -0.09 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.52 1b2u n TYR 103 Cb 0.59 -2.53 -0.08 0.00 -0.31 0.00 0.00 39.34 37.01 1b2u n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b2u h GLN 104 N 0.02 -0.14 -5.12 -0.72 4.20 -1.96 -3.45 115.11 107.95 1b2u h GLN 104 Ca -0.17 0.01 -0.39 0.00 0.06 0.00 0.00 58.65 58.16 1b2u h GLN 104 Cb 1.11 0.03 -0.23 0.00 0.30 0.00 0.00 27.48 28.69 1b2u h GLN 104 CO 0.25 0.14 -0.77 0.95 -0.67 0.00 0.00 178.83 178.72 1b2u s THR 105 N -5.07 0.96 -0.03 -0.54 -4.23 -1.26 -5.11 115.64 100.37 1b2u s THR 105 Ca -0.15 -1.07 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 1b2u s THR 105 Cb 0.03 -0.91 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 1b2u s THR 105 CO 0.64 -0.14 -0.23 -0.36 -0.54 0.00 0.00 174.62 173.98 1b2u s PHE 106 N -1.05 2.14 -0.13 3.99 0.40 -1.26 -4.41 117.98 117.67 1b2u s PHE 106 Ca -0.02 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 1b2u s PHE 106 Cb -0.09 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1b2u s PHE 106 CO 0.01 -0.07 -0.20 0.99 0.70 0.00 0.00 175.22 176.65 1b2u s THR 107 N -0.46 1.88 0.20 0.64 2.01 -0.03 -4.92 115.64 114.97 1b2u s THR 107 Ca 0.06 -0.88 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1b2u s THR 107 Cb -0.10 -1.68 -0.09 0.00 0.01 0.00 0.00 72.50 70.64 1b2u s THR 107 CO 0.00 0.52 1.29 -0.75 -0.69 0.00 0.00 174.62 174.98 1b2u s LYS 108 N 0.86 4.41 0.00 4.92 2.20 -1.26 -0.73 119.74 130.13 1b2u s LYS 108 Ca -0.07 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 57.56 1b2u s LYS 108 Cb -0.15 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1b2u s LYS 108 CO -0.02 -0.22 0.22 0.44 -0.36 0.00 0.00 175.35 175.41 1b2u n ILE 109 N 2.53 0.00 -0.85 5.43 -5.35 -0.74 -4.92 119.36 115.45 1b2u n ILE 109 Ca 0.06 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1b2u n ILE 109 Cb 0.43 1.54 0.00 0.00 -1.74 0.00 0.00 39.64 39.87 1b2u n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33