#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b2x s ILE 4 N 0.00 4.03 0.00 2.52 1.01 -1.26 -4.65 121.20 122.86 1b2x s ILE 4 Ca 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.36 1b2x s ILE 4 Cb 0.00 -4.88 0.03 0.00 0.01 0.00 0.00 42.46 37.62 1b2x s ILE 4 CO 0.00 -1.74 0.88 -0.46 0.00 0.00 0.00 174.94 173.62 1b2x n ASN 5 N 8.52 0.04 -4.98 3.58 6.94 -1.26 -4.78 115.26 123.33 1b2x n ASN 5 Ca 0.11 -1.75 -0.20 0.00 -0.02 0.00 0.00 54.58 52.72 1b2x n ASN 5 Cb 0.49 -0.14 -0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1b2x n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b2x s THR 6 N 0.00 4.33 0.11 5.53 -4.23 -1.26 -0.71 115.64 119.41 1b2x s THR 6 Ca 0.02 -0.85 -0.28 0.00 -1.18 0.00 0.00 61.69 59.40 1b2x s THR 6 Cb 0.03 -3.53 -0.09 0.00 1.34 0.00 0.00 72.50 70.24 1b2x s THR 6 CO -0.01 -0.25 1.63 -0.26 -0.54 0.00 0.00 174.62 175.18 1b2x h PHE 7 N 0.82 -0.81 -0.67 3.99 0.04 -1.98 -0.71 116.94 117.61 1b2x h PHE 7 Ca -0.47 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.25 1b2x h PHE 7 Cb 1.25 0.34 -0.03 0.00 2.20 0.00 0.00 35.95 39.71 1b2x h PHE 7 CO 0.44 -0.41 0.17 -0.44 -0.60 0.00 0.00 178.31 177.47 1b2x h ASP 8 N -0.55 1.01 0.30 2.17 3.32 -1.99 -0.96 116.42 119.72 1b2x h ASP 8 Ca 0.02 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1b2x h ASP 8 Cb 0.56 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1b2x h ASP 8 CO -0.15 0.98 -0.24 1.23 -1.72 0.00 0.00 179.24 179.34 1b2x h GLY 9 N 1.00 -0.57 1.25 2.75 0.00 -1.90 -1.41 103.07 104.19 1b2x h GLY 9 Ca 0.21 0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.71 1b2x h GLY 9 CO 0.00 -0.23 -0.13 -2.08 0.00 0.00 0.00 176.54 174.11 1b2x h VAL 10 N -0.55 1.26 -0.56 4.60 2.07 -1.17 -1.98 116.25 119.93 1b2x h VAL 10 Ca -0.02 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.23 1b2x h VAL 10 Cb 0.48 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1b2x h VAL 10 CO -0.02 0.43 0.21 0.00 0.02 0.00 0.00 177.57 178.21 1b2x h ALA 11 N 1.07 0.72 -0.42 1.67 0.00 -1.01 1.00 119.26 122.28 1b2x h ALA 11 Ca 0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1b2x h ALA 11 Cb 0.65 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1b2x h ALA 11 CO 0.04 0.35 0.01 -0.44 0.00 0.00 0.00 179.25 179.21 1b2x h ASP 12 N 0.76 0.73 -0.49 0.00 3.32 -1.28 -1.87 116.42 117.59 1b2x h ASP 12 Ca 0.18 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.96 1b2x h ASP 12 Cb 0.22 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 1b2x h ASP 12 CO -0.01 0.85 0.28 0.22 -1.72 0.00 0.00 179.24 178.86 1b2x h TYR 13 N 0.58 0.52 -0.55 4.55 5.03 -1.05 -0.96 116.97 125.09 1b2x h TYR 13 Ca 0.12 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1b2x h TYR 13 Cb 0.48 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.57 1b2x h TYR 13 CO 0.04 0.29 0.26 -0.07 -1.32 0.00 0.00 178.16 177.35 1b2x h LEU 14 N 0.55 0.72 -1.00 2.82 3.38 -0.62 0.74 115.31 121.91 1b2x h LEU 14 Ca 0.20 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1b2x h LEU 14 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1b2x h LEU 14 CO -0.11 0.66 -0.32 1.56 0.09 0.00 0.00 178.44 180.32 1b2x h GLN 15 N 0.74 0.00 0.01 1.13 4.20 -0.70 0.24 115.11 120.73 1b2x h GLN 15 Ca 0.19 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.77 1b2x h GLN 15 Cb 0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1b2x h GLN 15 CO -0.02 0.32 -0.71 1.15 -0.67 0.00 0.00 178.83 178.89 1b2x h THR 16 N 0.00 1.33 -0.00 -0.54 2.02 -0.99 -3.42 112.91 111.30 1b2x h THR 16 Ca -0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1b2x h THR 16 Cb 0.84 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1b2x h THR 16 CO 0.04 0.48 -0.57 -1.22 0.37 0.00 0.00 175.52 174.62 1b2x n TYR 17 N -4.46 0.00 -3.62 3.16 4.01 0.23 -5.00 117.16 111.48 1b2x n TYR 17 Ca -0.21 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.29 1b2x n TYR 17 Cb 0.61 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.71 1b2x n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b2x n HIS 18 N -1.00 -2.57 -3.56 -0.72 8.25 0.83 -4.96 115.22 111.49 1b2x n HIS 18 Ca 0.04 0.97 -0.08 0.00 -0.26 0.00 0.00 57.72 58.38 1b2x n HIS 18 Cb 0.25 -4.83 -0.03 0.00 1.12 0.00 0.00 29.99 26.49 1b2x n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b2x s LYS 19 N -6.13 0.60 0.57 -0.41 -2.85 -1.26 -5.07 119.74 105.19 1b2x s LYS 19 Ca 0.43 -0.06 -0.17 0.00 -1.00 0.00 0.00 55.97 55.16 1b2x s LYS 19 Cb -0.19 0.28 -0.05 0.00 -2.06 0.00 0.00 37.83 35.81 1b2x s LYS 19 CO 0.75 -0.23 1.08 -0.51 0.10 0.00 0.00 175.35 176.54 1b2x s LEU 20 N -1.77 3.61 0.86 2.77 1.43 -1.26 -4.17 118.68 120.15 1b2x s LEU 20 Ca 0.03 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.96 1b2x s LEU 20 Cb -0.01 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.75 1b2x s LEU 20 CO -0.04 -1.17 1.03 -2.65 0.23 0.00 0.00 176.35 173.75 1b2x n PRO 21 N -1.70 -0.10 0.19 1.29 -0.02 -1.26 -4.90 135.00 128.51 1b2x n PRO 21 Ca 0.10 0.04 0.13 0.00 -2.02 0.00 0.00 63.50 61.75 1b2x n PRO 21 Cb 0.52 -2.29 0.69 0.00 -0.02 0.00 0.00 33.50 32.40 1b2x n PRO 21 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1b2x h ASP 22 N -1.30 0.00 0.00 2.55 3.32 -1.96 -2.70 116.42 116.33 1b2x h ASP 22 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1b2x h ASP 22 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 1b2x h ASP 22 CO 0.42 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.48 1b2x n ASN 23 N -2.43 0.00 -4.64 6.45 6.94 -1.26 -4.83 115.26 115.48 1b2x n ASN 23 Ca -0.01 -1.76 -0.35 0.00 -0.02 0.00 0.00 54.58 52.44 1b2x n ASN 23 Cb 0.08 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.40 1b2x n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b2x s TYR 24 N -2.00 3.21 0.11 -2.53 2.02 -1.02 -0.49 117.35 116.65 1b2x s TYR 24 Ca 0.05 0.08 0.06 0.00 -0.37 0.00 0.00 57.07 56.89 1b2x s TYR 24 Cb 0.03 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 1b2x s TYR 24 CO 0.04 0.27 -0.15 0.96 -1.57 0.00 0.00 175.55 175.10 1b2x s ILE 25 N -0.17 1.33 0.76 2.71 -4.36 -0.69 -4.93 121.20 115.86 1b2x s ILE 25 Ca 0.06 -1.60 -0.12 0.00 -0.26 0.00 0.00 60.65 58.73 1b2x s ILE 25 Cb -0.12 -1.43 0.05 0.00 1.25 0.00 0.00 42.46 42.20 1b2x s ILE 25 CO 0.02 -0.33 1.11 0.42 0.24 0.00 0.00 174.94 176.40 1b2x s THR 26 N -1.82 3.04 0.23 8.37 -4.23 -1.21 -0.65 115.64 119.36 1b2x s THR 26 Ca 0.06 0.34 -0.07 0.00 -1.18 0.00 0.00 61.69 60.84 1b2x s THR 26 Cb -0.07 -3.25 0.18 0.00 1.34 0.00 0.00 72.50 70.70 1b2x s THR 26 CO 0.03 -0.44 1.82 0.50 -0.54 0.00 0.00 174.62 175.99 1b2x h LYS 27 N -0.88 0.77 -0.40 3.99 3.64 -1.95 0.14 116.57 121.87 1b2x h LYS 27 Ca -0.46 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.76 1b2x h LYS 27 Cb 1.27 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1b2x h LYS 27 CO 0.63 0.51 -0.21 0.77 -2.27 0.00 0.00 179.45 178.88 1b2x h SER 28 N 0.79 0.79 -0.63 4.20 0.02 -1.99 -0.02 113.55 116.71 1b2x h SER 28 Ca 0.34 -0.28 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1b2x h SER 28 Cb 0.21 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1b2x h SER 28 CO -0.19 0.98 0.24 -0.33 -1.14 0.00 0.00 176.83 176.39 1b2x h GLU 29 N 0.69 0.96 -0.19 3.45 5.08 -1.71 -1.60 114.58 121.26 1b2x h GLU 29 Ca 0.10 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1b2x h GLU 29 Cb 0.72 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1b2x h GLU 29 CO 0.06 0.82 0.07 0.00 -1.00 0.00 0.00 179.01 178.96 1b2x h ALA 30 N 1.09 0.25 -0.98 3.43 0.00 -0.56 -2.42 119.26 120.07 1b2x h ALA 30 Ca 0.21 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.10 1b2x h ALA 30 Cb 0.23 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1b2x h ALA 30 CO -0.01 -0.15 0.61 1.96 0.00 0.00 0.00 179.25 181.66 1b2x h GLN 31 N 0.16 1.01 -0.01 0.00 4.20 -0.79 -1.55 115.11 118.12 1b2x h GLN 31 Ca 0.06 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1b2x h GLN 31 Cb 0.18 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1b2x h GLN 31 CO -0.00 0.67 0.01 0.00 -0.67 0.00 0.00 178.83 178.83 1b2x h ALA 32 N 1.49 1.78 -0.01 3.87 0.00 -0.91 -0.42 119.26 125.06 1b2x h ALA 32 Ca 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1b2x h ALA 32 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1b2x h ALA 32 CO -0.23 -0.01 -0.04 1.28 0.00 0.00 0.00 179.25 180.25 1b2x n LEU 33 N -4.19 0.98 0.00 0.00 4.77 -0.72 -4.92 117.00 112.92 1b2x n LEU 33 Ca -0.03 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1b2x n LEU 33 Cb 0.10 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1b2x n LEU 33 CO 0.31 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1b2x n GLY 34 N 1.16 0.95 3.72 -0.72 0.00 -0.17 -4.90 105.19 105.23 1b2x n GLY 34 Ca 0.19 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1b2x n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b2x s TRP 35 N -2.00 3.30 -0.22 1.61 -0.00 -0.67 -4.96 118.94 116.00 1b2x s TRP 35 Ca 0.00 1.05 0.02 0.00 -0.00 0.00 0.00 56.10 57.17 1b2x s TRP 35 Cb 0.00 -3.61 0.05 0.00 -0.00 0.00 0.00 33.47 29.91 1b2x s TRP 35 CO 0.00 -2.08 -0.12 0.14 -0.00 0.00 0.00 176.95 174.89 1b2x s VAL 36 N 1.08 1.89 0.21 5.86 -7.23 -1.26 -4.44 120.40 116.50 1b2x s VAL 36 Ca 0.63 -1.23 -0.09 0.00 -1.81 0.00 0.00 61.98 59.48 1b2x s VAL 36 Cb -0.35 -1.94 0.15 0.00 0.56 0.00 0.00 36.38 34.80 1b2x s VAL 36 CO 0.30 0.14 1.83 0.00 -0.31 0.00 0.00 175.10 177.07 1b2x h ALA 37 N 7.90 0.94 0.00 1.32 0.00 -1.99 -1.10 119.26 126.33 1b2x h ALA 37 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1b2x h ALA 37 Cb 1.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1b2x h ALA 37 CO 0.49 0.16 0.00 0.43 0.00 0.00 0.00 179.25 180.33 1b2x n SER 38 N -4.71 0.00 -0.00 0.00 7.64 -1.26 -1.84 113.62 113.45 1b2x n SER 38 Ca 0.08 0.13 0.08 0.00 1.01 0.00 0.00 58.87 60.18 1b2x n SER 38 Cb 0.13 -0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 62.90 1b2x n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b2x n LYS 39 N -1.33 1.21 -3.28 1.43 5.02 -0.44 -5.00 118.16 115.77 1b2x n LYS 39 Ca 0.07 -0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 1b2x n LYS 39 Cb 0.15 -1.33 0.06 0.00 -0.02 0.00 0.00 35.03 33.89 1b2x n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b2x n GLY 40 N 1.42 -0.33 1.51 0.72 0.00 -0.77 -4.87 105.19 102.87 1b2x n GLY 40 Ca 0.02 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 1b2x n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b2x n ASN 41 N -2.21 4.16 -0.14 1.61 6.94 -1.25 -3.67 115.26 120.71 1b2x n ASN 41 Ca -0.02 -3.25 -0.03 0.00 -0.02 0.00 0.00 54.58 51.25 1b2x n ASN 41 Cb 0.57 -0.66 0.05 0.00 -2.36 0.00 0.00 39.78 37.37 1b2x n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b2x h LEU 42 N 2.15 -0.03 -1.69 -4.53 5.85 -1.87 -1.53 115.31 113.66 1b2x h LEU 42 Ca 0.17 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1b2x h LEU 42 Cb 1.94 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 43.08 1b2x h LEU 42 CO 0.51 0.02 -0.13 0.00 -0.34 0.00 0.00 178.44 178.51 1b2x h ALA 43 N 1.35 1.14 -0.18 1.25 0.00 -1.83 0.37 119.26 121.36 1b2x h ALA 43 Ca 0.22 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1b2x h ALA 43 Cb 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b2x h ALA 43 CO -0.30 0.16 -0.28 0.22 0.00 0.00 0.00 179.25 179.05 1b2x h ASP 44 N 0.00 0.55 0.84 0.00 3.58 -1.65 -2.77 116.42 116.97 1b2x h ASP 44 Ca -0.00 -0.53 -0.11 0.00 0.42 0.00 0.00 57.03 56.81 1b2x h ASP 44 Cb 0.46 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 1b2x h ASP 44 CO 0.02 0.97 -1.24 -0.37 -2.88 0.00 0.00 179.24 175.74 1b2x h VAL 45 N 0.15 0.35 -2.16 2.25 -1.51 -0.89 -3.40 116.25 111.03 1b2x h VAL 45 Ca 0.02 -1.68 -0.57 0.00 -1.23 0.00 0.00 66.70 63.23 1b2x h VAL 45 Cb 0.86 1.88 -0.39 0.00 -2.13 0.00 0.00 31.29 31.51 1b2x h VAL 45 CO 0.06 0.20 -1.04 0.00 -1.23 0.00 0.00 177.57 175.56 1b2x n ALA 46 N -2.32 2.64 -1.64 5.19 0.00 0.12 -5.01 120.51 119.50 1b2x n ALA 46 Ca -0.06 -3.30 -0.47 0.00 0.00 0.00 0.00 53.44 49.61 1b2x n ALA 46 Cb 0.74 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 1b2x n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b2x n PRO 47 N 2.01 1.75 -0.18 0.00 -0.04 -1.04 -1.41 135.00 136.10 1b2x n PRO 47 Ca 0.25 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.34 1b2x n PRO 47 Cb 0.51 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 1b2x n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b2x n GLY 48 N 2.71 1.68 3.96 0.55 0.00 -1.26 -5.03 105.19 107.80 1b2x n GLY 48 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 1b2x n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b2x s LYS 49 N -0.34 3.45 0.11 1.61 -0.14 -0.50 -4.80 119.74 119.14 1b2x s LYS 49 Ca 0.00 -0.65 0.05 0.00 -1.36 0.00 0.00 55.97 54.00 1b2x s LYS 49 Cb 0.00 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 33.27 1b2x s LYS 49 CO 0.00 0.38 -0.12 -1.12 -0.76 0.00 0.00 175.35 173.73 1b2x s SER 50 N -3.93 1.74 0.19 2.83 0.01 0.36 -4.81 113.70 110.09 1b2x s SER 50 Ca 0.35 -0.83 -0.30 0.00 1.31 0.00 0.00 55.95 56.49 1b2x s SER 50 Cb -0.09 -0.03 -0.08 0.00 0.21 0.00 0.00 66.02 66.03 1b2x s SER 50 CO 0.30 -0.21 1.05 -0.63 0.41 0.00 0.00 173.24 174.16 1b2x s ILE 51 N -2.37 3.95 -0.27 1.44 -1.09 -1.26 -1.70 121.20 119.90 1b2x s ILE 51 Ca 0.08 1.76 -0.36 0.00 -2.23 0.00 0.00 60.65 59.89 1b2x s ILE 51 Cb -0.03 -4.12 0.16 0.00 -1.58 0.00 0.00 42.46 36.89 1b2x s ILE 51 CO 0.02 0.33 1.35 -0.83 -1.23 0.00 0.00 174.94 174.58 1b2x s GLY 52 N -0.39 -0.16 0.00 6.18 0.00 0.17 -0.31 107.32 112.81 1b2x s GLY 52 Ca 0.47 2.03 0.00 0.00 0.00 0.00 0.00 44.72 47.22 1b2x s GLY 52 CO 0.34 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.76 1b2x n GLY 53 N 0.07 1.79 3.78 0.20 0.00 0.16 -3.35 105.19 107.84 1b2x n GLY 53 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1b2x n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b2x s ASP 54 N -1.82 6.03 0.30 1.61 1.01 -1.23 -4.74 116.67 117.83 1b2x s ASP 54 Ca 0.00 2.19 -0.30 0.00 0.71 0.00 0.00 52.55 55.16 1b2x s ASP 54 Cb 0.00 -2.59 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 1b2x s ASP 54 CO 0.00 -1.01 1.54 -0.63 0.21 0.00 0.00 175.17 175.28 1b2x s ILE 55 N -1.69 2.22 -0.30 0.77 1.01 -1.26 -0.97 121.20 120.98 1b2x s ILE 55 Ca 0.68 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 61.44 1b2x s ILE 55 Cb -0.25 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1b2x s ILE 55 CO 0.29 0.03 0.11 0.12 0.00 0.00 0.00 174.94 175.49 1b2x s PHE 56 N -0.19 3.15 0.21 3.97 5.36 -0.14 -4.80 117.98 125.53 1b2x s PHE 56 Ca 0.60 -0.80 -0.10 0.00 -0.96 0.00 0.00 56.93 55.67 1b2x s PHE 56 Cb -0.46 -2.29 0.18 0.00 -0.34 0.00 0.00 43.02 40.11 1b2x s PHE 56 CO 0.49 -0.52 1.87 0.66 -1.46 0.00 0.00 175.22 176.26 1b2x h SER 57 N 8.28 0.80 -3.44 6.13 4.64 -1.95 -3.38 113.55 124.63 1b2x h SER 57 Ca -0.32 -0.01 -0.31 0.00 -0.47 0.00 0.00 61.79 60.68 1b2x h SER 57 Cb 1.14 -0.19 0.04 0.00 -0.31 0.00 0.00 62.40 63.08 1b2x h SER 57 CO 0.61 0.57 -0.46 -3.20 -0.87 0.00 0.00 176.83 173.47 1b2x n ASN 58 N -4.61 -5.05 -0.13 4.97 5.15 -1.26 -4.88 115.26 109.45 1b2x n ASN 58 Ca 0.08 -0.21 0.01 0.00 -0.60 0.00 0.00 54.58 53.86 1b2x n ASN 58 Cb 0.05 -3.92 0.29 0.00 -0.53 0.00 0.00 39.78 35.67 1b2x n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b2x h ARG 59 N -1.00 0.81 0.00 1.20 3.08 -2.00 -1.81 114.38 114.66 1b2x h ARG 59 Ca -0.41 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1b2x h ARG 59 Cb 1.28 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1b2x h ARG 59 CO 0.44 0.58 0.00 0.39 -1.07 0.00 0.00 179.97 180.31 1b2x n GLU 60 N -4.40 0.18 -1.41 0.04 1.02 -1.26 -4.92 120.64 109.89 1b2x n GLU 60 Ca 0.06 0.38 -0.08 0.00 -0.02 0.00 0.00 57.16 57.49 1b2x n GLU 60 Cb 0.09 -1.83 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1b2x n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b2x n GLY 61 N 0.18 0.81 0.18 0.62 0.00 -0.68 -4.91 105.19 101.40 1b2x n GLY 61 Ca 0.03 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1b2x n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b2x h LYS 62 N 0.00 0.00 -5.88 1.61 1.57 -1.91 -3.43 116.57 108.53 1b2x h LYS 62 Ca -0.17 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.95 1b2x h LYS 62 Cb 0.65 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.86 1b2x h LYS 62 CO 0.24 0.00 -0.55 -0.51 -0.57 0.00 0.00 179.45 178.06 1b2x s LEU 63 N -5.66 4.01 0.27 2.94 1.43 -1.26 -4.88 118.68 115.53 1b2x s LEU 63 Ca 0.08 0.25 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 1b2x s LEU 63 Cb 0.07 -2.16 -0.11 0.00 0.03 0.00 0.00 46.19 44.03 1b2x s LEU 63 CO 0.64 0.33 1.52 -2.16 0.23 0.00 0.00 176.35 176.91 1b2x s PRO 64 N -1.39 4.19 0.45 1.29 0.04 -1.26 -5.04 135.00 133.29 1b2x s PRO 64 Ca 0.19 2.44 0.07 0.00 0.04 0.00 0.00 61.00 63.74 1b2x s PRO 64 Cb -0.12 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.37 1b2x s PRO 64 CO 0.09 -0.53 0.62 0.20 0.04 0.00 0.00 177.00 177.42 1b2x s GLY 65 N 0.44 1.92 -0.29 0.56 0.00 -1.26 -5.05 107.32 103.64 1b2x s GLY 65 Ca 0.61 -1.67 -0.23 0.00 0.00 0.00 0.00 44.72 43.43 1b2x s GLY 65 CO 0.45 -1.45 1.08 1.25 0.00 0.00 0.00 173.10 174.43 1b2x s LYS 66 N -4.43 0.40 0.29 2.90 2.20 -1.26 -5.04 119.74 114.79 1b2x s LYS 66 Ca 0.56 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 56.40 1b2x s LYS 66 Cb -0.10 0.17 -0.14 0.00 -1.51 0.00 0.00 37.83 36.26 1b2x s LYS 66 CO 0.34 -0.06 1.17 -1.13 -0.36 0.00 0.00 175.35 175.32 1b2x n SER 67 N 2.45 1.99 0.00 1.43 3.41 -1.26 -0.35 113.62 121.28 1b2x n SER 67 Ca -0.13 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 1b2x n SER 67 Cb 0.56 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 1b2x n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b2x n GLY 68 N 1.31 0.55 3.75 5.00 0.00 -1.26 -4.99 105.19 109.56 1b2x n GLY 68 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1b2x n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b2x s ARG 69 N -0.39 4.21 0.12 1.61 3.52 0.52 -4.94 118.95 123.60 1b2x s ARG 69 Ca 0.00 0.36 0.07 0.00 -0.13 0.00 0.00 55.73 56.03 1b2x s ARG 69 Cb 0.00 -3.38 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1b2x s ARG 69 CO 0.00 0.32 -0.17 -0.08 -0.81 0.00 0.00 175.30 174.56 1b2x s THR 70 N 0.13 1.51 0.07 4.11 -1.32 -1.26 -4.75 115.64 114.13 1b2x s THR 70 Ca 0.23 -1.65 0.10 0.00 -1.21 0.00 0.00 61.69 59.16 1b2x s THR 70 Cb -0.15 -1.53 -0.03 0.00 -1.51 0.00 0.00 72.50 69.27 1b2x s THR 70 CO 0.10 -0.27 -0.26 0.26 -2.21 0.00 0.00 174.62 172.24 1b2x s TRP 71 N -1.72 2.32 0.22 9.09 0.52 -1.26 -1.24 118.94 126.87 1b2x s TRP 71 Ca 0.08 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.84 1b2x s TRP 71 Cb -0.07 -1.35 -0.05 0.00 -1.15 0.00 0.00 33.47 30.85 1b2x s TRP 71 CO 0.04 0.19 -0.03 1.03 0.02 0.00 0.00 176.95 178.20 1b2x s ARG 72 N -1.50 1.29 0.24 4.98 0.52 0.66 -0.97 118.95 124.18 1b2x s ARG 72 Ca 0.13 -1.63 0.04 0.00 -0.52 0.00 0.00 55.73 53.74 1b2x s ARG 72 Cb -0.10 -0.67 -0.05 0.00 0.52 0.00 0.00 34.95 34.65 1b2x s ARG 72 CO 0.03 -0.04 -0.00 -1.83 0.02 0.00 0.00 175.30 173.48 1b2x s GLU 73 N -3.82 1.36 -0.22 3.54 -1.05 -0.14 -1.24 118.70 117.12 1b2x s GLU 73 Ca 0.26 -1.69 -0.22 0.00 -0.15 0.00 0.00 54.97 53.17 1b2x s GLU 73 Cb 0.05 -0.64 0.06 0.00 -0.44 0.00 0.00 34.13 33.15 1b2x s GLU 73 CO 0.07 -0.09 0.63 0.00 0.95 0.00 0.00 175.26 176.82 1b2x s ALA 74 N -3.40 -1.56 0.23 -0.84 0.00 -0.66 0.38 121.76 115.90 1b2x s ALA 74 Ca 0.29 1.73 -0.30 0.00 0.00 0.00 0.00 51.96 53.68 1b2x s ALA 74 Cb 0.06 -0.96 -0.09 0.00 0.00 0.00 0.00 23.12 22.13 1b2x s ALA 74 CO 0.09 -0.30 1.17 -0.51 0.00 0.00 0.00 175.76 176.21 1b2x s ASP 75 N 0.22 7.13 0.14 0.00 1.11 0.58 -0.41 116.67 125.43 1b2x s ASP 75 Ca -0.01 2.28 0.09 0.00 0.18 0.00 0.00 52.55 55.09 1b2x s ASP 75 Cb -0.04 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 1b2x s ASP 75 CO 0.01 -0.30 -0.15 -0.63 1.18 0.00 0.00 175.17 175.29 1b2x s ILE 76 N -0.57 2.98 -1.63 0.77 -1.09 -0.91 -4.71 121.20 116.03 1b2x s ILE 76 Ca 0.49 -1.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 1b2x s ILE 76 Cb -0.33 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 1b2x s ILE 76 CO 0.40 0.03 0.00 0.59 -1.23 0.00 0.00 174.94 174.73 1b2x n ASN 77 N 0.55 -5.21 -4.77 3.58 3.02 0.12 -4.59 115.26 107.95 1b2x n ASN 77 Ca -0.14 0.11 -0.36 0.00 -0.03 0.00 0.00 54.58 54.16 1b2x n ASN 77 Cb 0.54 -4.29 -0.07 0.00 -0.61 0.00 0.00 39.78 35.35 1b2x n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b2x s TYR 78 N -2.83 3.49 0.00 3.10 5.04 -1.26 -4.92 117.35 119.96 1b2x s TYR 78 Ca 0.00 0.50 0.00 0.00 -2.44 0.00 0.00 57.07 55.13 1b2x s TYR 78 Cb 0.00 -2.17 0.00 0.00 0.35 0.00 0.00 41.96 40.14 1b2x s TYR 78 CO 0.00 0.40 0.00 0.25 -1.34 0.00 0.00 175.55 174.86 1b2x n THR 79 N 3.07 0.00 -3.75 4.34 -2.24 -1.26 -4.91 114.28 109.53 1b2x n THR 79 Ca -0.16 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1b2x n THR 79 Cb 0.53 -0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 1b2x n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b2x s SER 80 N -4.51 -0.31 0.00 3.42 1.04 -1.26 -4.70 113.70 107.38 1b2x s SER 80 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1b2x s SER 80 Cb 0.00 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1b2x s SER 80 CO 0.00 -1.17 0.00 0.61 0.98 0.00 0.00 173.24 173.66 1b2x n GLY 81 N -0.40 -1.80 3.72 7.32 0.00 -1.24 -4.92 105.19 107.86 1b2x n GLY 81 Ca -0.08 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 1b2x n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b2x s PHE 82 N 0.00 2.07 0.49 1.61 0.08 -1.24 -4.41 117.98 116.57 1b2x s PHE 82 Ca 0.00 1.59 -0.24 0.00 0.12 0.00 0.00 56.93 58.40 1b2x s PHE 82 Cb 0.00 -3.48 -0.07 0.00 -0.57 0.00 0.00 43.02 38.90 1b2x s PHE 82 CO 0.00 -2.60 1.34 1.03 -0.10 0.00 0.00 175.22 174.89 1b2x s ARG 83 N -3.86 3.50 0.00 0.44 0.52 -1.26 -5.01 118.95 113.28 1b2x s ARG 83 Ca 0.75 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 58.17 1b2x s ARG 83 Cb -0.30 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.71 1b2x s ARG 83 CO 0.44 -0.89 0.00 0.27 0.02 0.00 0.00 175.30 175.14 1b2x n ASN 84 N -0.55 0.00 -0.82 0.23 0.23 -1.26 -5.00 115.26 108.09 1b2x n ASN 84 Ca 0.07 -0.47 0.12 0.00 -0.53 0.00 0.00 54.58 53.78 1b2x n ASN 84 Cb 0.44 0.00 0.29 0.00 -2.08 0.00 0.00 39.78 38.43 1b2x n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1b2x n SER 85 N -1.40 2.50 -4.71 0.53 7.64 -1.26 -4.92 113.62 111.99 1b2x n SER 85 Ca 0.00 -1.83 -0.35 0.00 1.01 0.00 0.00 58.87 57.70 1b2x n SER 85 Cb 0.00 -0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.02 1b2x n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1b2x s ASP 86 N -1.74 6.19 0.02 6.43 1.01 -1.26 -1.96 116.67 125.36 1b2x s ASP 86 Ca 0.34 0.21 -0.04 0.00 0.71 0.00 0.00 52.55 53.76 1b2x s ASP 86 Cb 0.20 -2.10 -0.01 0.00 1.01 0.00 0.00 42.92 42.03 1b2x s ASP 86 CO 0.30 0.15 0.07 -0.13 0.21 0.00 0.00 175.17 175.77 1b2x s ARG 87 N 0.53 0.48 -0.13 8.23 1.81 -0.66 -2.15 118.95 127.06 1b2x s ARG 87 Ca 0.08 -0.63 -0.02 0.00 -1.72 0.00 0.00 55.73 53.44 1b2x s ARG 87 Cb -0.12 0.19 -0.02 0.00 -0.45 0.00 0.00 34.95 34.55 1b2x s ARG 87 CO -0.00 -0.11 -0.08 -1.50 -0.68 0.00 0.00 175.30 172.92 1b2x s ILE 88 N -2.00 3.50 -0.21 1.52 2.07 0.45 -1.20 121.20 125.32 1b2x s ILE 88 Ca -0.10 -0.51 -0.04 0.00 -1.41 0.00 0.00 60.65 58.59 1b2x s ILE 88 Cb -0.05 -2.50 -0.01 0.00 0.13 0.00 0.00 42.46 40.03 1b2x s ILE 88 CO -0.02 0.52 -0.02 -0.76 -1.91 0.00 0.00 174.94 172.74 1b2x s LEU 89 N 0.23 3.03 -0.06 8.50 2.01 0.32 -1.66 118.68 131.06 1b2x s LEU 89 Ca -0.05 -0.32 0.03 0.00 0.01 0.00 0.00 54.13 53.79 1b2x s LEU 89 Cb -0.15 -1.77 0.01 0.00 0.01 0.00 0.00 46.19 44.29 1b2x s LEU 89 CO 0.04 0.01 -0.14 -0.72 1.01 0.00 0.00 176.35 176.55 1b2x s TYR 90 N 1.33 1.53 0.74 0.29 1.13 -0.37 -0.23 117.35 121.77 1b2x s TYR 90 Ca 0.04 -0.52 -0.05 0.00 -1.41 0.00 0.00 57.07 55.13 1b2x s TYR 90 Cb -0.14 -1.09 0.11 0.00 -1.10 0.00 0.00 41.96 39.74 1b2x s TYR 90 CO -0.01 -0.24 1.03 -1.54 -2.51 0.00 0.00 175.55 172.29 1b2x s SER 91 N 0.44 4.39 0.44 -0.18 1.04 -0.86 -0.24 113.70 118.72 1b2x s SER 91 Ca -0.11 0.06 0.30 0.00 0.48 0.00 0.00 55.95 56.68 1b2x s SER 91 Cb -0.14 -0.53 1.32 0.00 0.10 0.00 0.00 66.02 66.77 1b2x s SER 91 CO 0.03 -1.85 1.90 0.77 0.98 0.00 0.00 173.24 175.08 1b2x h SER 92 N -0.68 0.00 -0.33 7.02 4.64 -1.53 -2.16 113.55 120.51 1b2x h SER 92 Ca -0.41 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1b2x h SER 92 Cb 1.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 1b2x h SER 92 CO 0.48 0.00 0.01 -0.90 -0.87 0.00 0.00 176.83 175.55 1b2x n ASP 93 N -2.70 3.46 -2.81 4.97 5.75 -1.26 -4.96 116.55 119.00 1b2x n ASP 93 Ca 0.01 -3.29 -0.20 0.00 -0.01 0.00 0.00 54.79 51.29 1b2x n ASP 93 Cb 0.23 -0.59 0.04 0.00 -1.03 0.00 0.00 41.12 39.77 1b2x n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1b2x n TRP 94 N -0.72 -1.93 -2.80 2.11 7.02 -0.81 -5.00 117.44 115.30 1b2x n TRP 94 Ca 0.27 0.56 -0.41 0.00 -1.02 0.00 0.00 57.50 56.91 1b2x n TRP 94 Cb 0.99 -4.22 -0.04 0.00 -2.42 0.00 0.00 31.31 25.61 1b2x n TRP 94 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1b2x s LEU 95 N -6.10 4.45 -0.11 -0.99 2.96 -1.26 -4.85 118.68 112.78 1b2x s LEU 95 Ca 0.32 1.65 0.03 0.00 -0.22 0.00 0.00 54.13 55.92 1b2x s LEU 95 Cb -0.14 -3.47 0.01 0.00 0.50 0.00 0.00 46.19 43.08 1b2x s LEU 95 CO 0.40 -0.09 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.51 1b2x s ILE 96 N 0.22 1.85 0.30 6.68 -1.09 -0.94 -2.03 121.20 126.19 1b2x s ILE 96 Ca 0.45 -0.88 0.09 0.00 -2.23 0.00 0.00 60.65 58.08 1b2x s ILE 96 Cb -0.22 -1.62 -0.06 0.00 -1.58 0.00 0.00 42.46 38.98 1b2x s ILE 96 CO 0.27 0.51 -0.11 -0.31 -1.23 0.00 0.00 174.94 174.08 1b2x s TYR 97 N 0.59 2.16 0.13 3.97 1.51 0.68 -0.44 117.35 125.96 1b2x s TYR 97 Ca -0.14 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.43 1b2x s TYR 97 Cb -0.17 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 1b2x s TYR 97 CO 0.04 0.48 -0.12 -1.59 -1.11 0.00 0.00 175.55 173.26 1b2x s LYS 98 N -3.64 1.02 -0.01 -0.62 -2.85 0.81 -0.52 119.74 113.94 1b2x s LYS 98 Ca 0.30 -1.33 0.02 0.00 -1.00 0.00 0.00 55.97 53.97 1b2x s LYS 98 Cb 0.01 -0.73 -0.01 0.00 -2.06 0.00 0.00 37.83 35.05 1b2x s LYS 98 CO 0.14 0.12 -0.08 -0.08 0.10 0.00 0.00 175.35 175.55 1b2x s THR 99 N -2.71 0.61 -0.05 3.79 -1.32 -0.34 -0.30 115.64 115.32 1b2x s THR 99 Ca 0.12 -0.33 0.07 0.00 -1.21 0.00 0.00 61.69 60.34 1b2x s THR 99 Cb -0.01 -0.52 0.11 0.00 -1.51 0.00 0.00 72.50 70.57 1b2x s THR 99 CO 0.02 0.17 1.00 0.35 -2.21 0.00 0.00 174.62 173.95 1b2x n THR 100 N 2.90 1.13 -2.80 5.08 -2.24 -1.25 -1.65 114.28 115.45 1b2x n THR 100 Ca -0.13 -1.28 -0.02 0.00 -2.27 0.00 0.00 64.05 60.35 1b2x n THR 100 Cb 0.57 0.27 0.05 0.00 -2.10 0.00 0.00 70.33 69.12 1b2x n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b2x n ASP 101 N -0.76 1.63 -3.42 3.42 5.68 -1.14 -4.60 116.55 117.36 1b2x n ASP 101 Ca 0.06 -2.15 -0.18 0.00 -0.50 0.00 0.00 54.79 52.02 1b2x n ASP 101 Cb 0.47 -0.48 0.07 0.00 -1.14 0.00 0.00 41.12 40.04 1b2x n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1b2x n HIS 102 N -0.53 -2.23 -1.09 2.11 8.25 -0.83 -2.81 115.22 118.10 1b2x n HIS 102 Ca 0.08 0.86 -0.03 0.00 -0.26 0.00 0.00 57.72 58.38 1b2x n HIS 102 Cb 0.81 -4.54 -0.01 0.00 1.12 0.00 0.00 29.99 27.36 1b2x n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1b2x n TYR 103 N -3.84 0.00 -0.06 4.41 4.01 -1.26 -4.87 117.16 115.54 1b2x n TYR 103 Ca -0.20 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.40 1b2x n TYR 103 Cb 0.65 -1.92 -0.06 0.00 -0.31 0.00 0.00 39.34 37.70 1b2x n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b2x h GLN 104 N 0.13 0.57 -4.83 -0.72 4.20 -1.94 -3.45 115.11 109.07 1b2x h GLN 104 Ca -0.06 -0.35 -0.32 0.00 0.06 0.00 0.00 58.65 57.98 1b2x h GLN 104 Cb 0.90 0.03 -0.21 0.00 0.30 0.00 0.00 27.48 28.50 1b2x h GLN 104 CO 0.09 0.95 -0.75 0.95 -0.67 0.00 0.00 178.83 179.40 1b2x s THR 105 N -4.13 0.73 0.02 -0.54 -4.23 -1.26 -5.12 115.64 101.11 1b2x s THR 105 Ca -0.13 -1.14 0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1b2x s THR 105 Cb 0.07 -0.76 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 1b2x s THR 105 CO 0.81 -0.32 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.05 1b2x s PHE 106 N -1.32 1.44 -0.12 3.99 0.08 -1.26 -4.42 117.98 116.37 1b2x s PHE 106 Ca -0.07 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 56.67 1b2x s PHE 106 Cb -0.10 -0.88 0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1b2x s PHE 106 CO 0.01 0.03 -0.20 0.99 -0.10 0.00 0.00 175.22 175.95 1b2x s THR 107 N -0.68 1.86 0.24 0.64 2.01 0.59 -4.94 115.64 115.36 1b2x s THR 107 Ca 0.05 -0.87 -0.30 0.00 0.31 0.00 0.00 61.69 60.88 1b2x s THR 107 Cb -0.07 -1.65 -0.10 0.00 0.01 0.00 0.00 72.50 70.69 1b2x s THR 107 CO 0.01 0.51 1.41 -0.75 -0.69 0.00 0.00 174.62 175.11 1b2x s LYS 108 N 0.79 4.30 0.00 4.92 2.20 -1.26 -0.13 119.74 130.55 1b2x s LYS 108 Ca -0.09 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 1b2x s LYS 108 Cb -0.16 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1b2x s LYS 108 CO 0.00 -0.38 0.00 0.44 -0.36 0.00 0.00 175.35 175.05 1b2x n ILE 109 N 2.42 0.00 -0.91 5.43 -5.35 0.42 -4.88 119.36 116.50 1b2x n ILE 109 Ca 0.07 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 1b2x n ILE 109 Cb 0.41 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 1b2x n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33