#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b21 s ILE 4 N 0.00 4.90 0.00 2.52 1.01 -1.26 -4.81 121.20 123.56 1b21 s ILE 4 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.53 1b21 s ILE 4 Cb 0.00 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.28 1b21 s ILE 4 CO 0.00 -0.60 0.47 -0.46 0.00 0.00 0.00 174.94 174.35 1b21 n ASN 5 N 6.09 0.00 -4.94 3.58 6.94 -1.26 -4.82 115.26 120.86 1b21 n ASN 5 Ca -0.04 -1.19 -0.21 0.00 -0.02 0.00 0.00 54.58 53.12 1b21 n ASN 5 Cb 0.47 -0.04 -0.02 0.00 -2.36 0.00 0.00 39.78 37.83 1b21 n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1b21 s THR 6 N 0.00 4.62 0.14 5.53 -4.23 -1.26 -0.24 115.64 120.19 1b21 s THR 6 Ca 0.00 -1.10 -0.25 0.00 -1.18 0.00 0.00 61.69 59.16 1b21 s THR 6 Cb 0.00 -3.59 -0.02 0.00 1.34 0.00 0.00 72.50 70.23 1b21 s THR 6 CO 0.00 -0.27 1.62 -0.26 -0.54 0.00 0.00 174.62 175.17 1b21 h PHE 7 N 1.16 -0.80 -0.21 3.99 0.04 -1.98 0.26 116.94 119.39 1b21 h PHE 7 Ca -0.49 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.29 1b21 h PHE 7 Cb 1.24 0.37 -0.01 0.00 2.20 0.00 0.00 35.95 39.76 1b21 h PHE 7 CO 0.47 -0.38 0.02 -0.44 -0.60 0.00 0.00 178.31 177.38 1b21 h ASP 8 N -0.37 0.35 0.02 2.17 3.32 -1.98 -0.28 116.42 119.65 1b21 h ASP 8 Ca 0.10 -0.28 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1b21 h ASP 8 Cb 0.52 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1b21 h ASP 8 CO -0.33 0.54 -0.19 1.23 -1.72 0.00 0.00 179.24 178.77 1b21 h GLY 9 N 0.15 -0.27 1.29 2.75 0.00 -1.91 -0.69 103.07 104.38 1b21 h GLY 9 Ca 0.06 0.22 -0.15 0.00 0.00 0.00 0.00 47.33 47.46 1b21 h GLY 9 CO 0.01 -0.17 -0.41 -2.08 0.00 0.00 0.00 176.54 173.88 1b21 h VAL 10 N -0.31 1.29 -0.67 4.60 2.07 -0.98 -2.44 116.25 119.80 1b21 h VAL 10 Ca 0.05 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 1b21 h VAL 10 Cb 0.38 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1b21 h VAL 10 CO -0.16 0.52 0.17 0.00 0.02 0.00 0.00 177.57 178.11 1b21 h ALA 11 N 0.90 1.03 -0.35 1.67 0.00 -0.79 -0.69 119.26 121.02 1b21 h ALA 11 Ca 0.05 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1b21 h ALA 11 Cb 0.97 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1b21 h ALA 11 CO 0.09 0.64 -0.22 -0.44 0.00 0.00 0.00 179.25 179.32 1b21 h ASP 12 N 1.01 0.70 -0.31 0.00 3.32 -1.16 -2.60 116.42 117.37 1b21 h ASP 12 Ca 0.21 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1b21 h ASP 12 Cb 0.35 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1b21 h ASP 12 CO 0.00 0.91 0.03 0.22 -1.72 0.00 0.00 179.24 178.68 1b21 h TYR 13 N 0.61 0.57 -0.74 4.55 5.03 -1.03 -2.35 116.97 123.61 1b21 h TYR 13 Ca 0.09 -0.09 -0.05 0.00 2.58 0.00 0.00 58.73 61.25 1b21 h TYR 13 Cb 0.71 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.80 1b21 h TYR 13 CO 0.03 0.64 0.26 -0.07 -1.32 0.00 0.00 178.16 177.70 1b21 h LEU 14 N 0.34 1.05 -0.88 2.82 3.38 -1.09 0.10 115.31 121.03 1b21 h LEU 14 Ca 0.09 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1b21 h LEU 14 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1b21 h LEU 14 CO 0.01 0.96 -0.32 1.56 0.09 0.00 0.00 178.44 180.74 1b21 h GLN 15 N 1.08 0.44 0.00 1.13 4.20 -1.38 -0.11 115.11 120.46 1b21 h GLN 15 Ca 0.24 -0.19 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 1b21 h GLN 15 Cb 0.27 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1b21 h GLN 15 CO -0.01 0.72 -0.78 1.15 -0.67 0.00 0.00 178.83 179.23 1b21 h THR 16 N 0.38 1.19 -0.00 -0.54 2.02 -1.30 -3.41 112.91 111.25 1b21 h THR 16 Ca 0.05 -2.19 0.00 0.00 0.77 0.00 0.00 66.41 65.03 1b21 h THR 16 Cb 0.75 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1b21 h THR 16 CO 0.06 0.40 -0.88 -1.22 0.37 0.00 0.00 175.52 174.25 1b21 n TYR 17 N -4.50 0.00 -3.59 3.16 4.01 0.35 -5.02 117.16 111.57 1b21 n TYR 17 Ca -0.23 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.29 1b21 n TYR 17 Cb 0.59 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.69 1b21 n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1b21 n HIS 18 N -1.26 -2.35 -3.61 -0.72 8.25 -0.05 -4.98 115.22 110.50 1b21 n HIS 18 Ca 0.05 0.94 -0.02 0.00 -0.26 0.00 0.00 57.72 58.43 1b21 n HIS 18 Cb 0.34 -4.81 -0.01 0.00 1.12 0.00 0.00 29.99 26.62 1b21 n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1b21 s LYS 19 N -5.91 0.30 0.51 -0.41 -2.85 -1.26 -5.07 119.74 105.06 1b21 s LYS 19 Ca 0.25 -0.14 -0.17 0.00 -1.00 0.00 0.00 55.97 54.91 1b21 s LYS 19 Cb -0.12 0.12 -0.08 0.00 -2.06 0.00 0.00 37.83 35.70 1b21 s LYS 19 CO 0.76 -0.14 0.99 -0.51 0.10 0.00 0.00 175.35 176.55 1b21 s LEU 20 N -2.46 3.65 0.96 2.77 1.43 -1.26 -4.20 118.68 119.58 1b21 s LEU 20 Ca 0.11 1.62 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 1b21 s LEU 20 Cb 0.01 -4.52 0.11 0.00 0.03 0.00 0.00 46.19 41.82 1b21 s LEU 20 CO -0.04 -0.63 0.74 -0.81 0.23 0.00 0.00 176.35 175.84 1b21 n PRO 21 N -1.50 -0.60 0.00 1.29 -0.04 -1.26 -4.89 135.00 128.00 1b21 n PRO 21 Ca 0.07 -0.12 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1b21 n PRO 21 Cb 0.54 -2.09 0.35 0.00 -0.04 0.00 0.00 33.50 32.25 1b21 n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1b21 n ASP 22 N -2.85 0.00 -0.13 3.54 8.00 -1.26 -2.83 116.55 121.02 1b21 n ASP 22 Ca 0.08 0.16 0.15 0.00 0.71 0.00 0.00 54.79 55.90 1b21 n ASP 22 Cb 0.53 -0.33 0.83 0.00 -0.02 0.00 0.00 41.12 42.14 1b21 n ASP 22 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1b21 n ASN 23 N -1.33 0.39 -4.75 -2.24 6.94 -1.26 -4.83 115.26 108.18 1b21 n ASN 23 Ca 0.06 -1.14 -0.36 0.00 -0.02 0.00 0.00 54.58 53.12 1b21 n ASN 23 Cb 0.12 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.46 1b21 n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1b21 s TYR 24 N -2.00 3.40 0.07 -2.53 2.02 -1.13 -0.72 117.35 116.46 1b21 s TYR 24 Ca 0.45 0.31 0.03 0.00 -0.37 0.00 0.00 57.07 57.49 1b21 s TYR 24 Cb 0.21 -2.00 -0.03 0.00 -0.40 0.00 0.00 41.96 39.74 1b21 s TYR 24 CO 0.36 0.44 -0.10 0.96 -1.57 0.00 0.00 175.55 175.64 1b21 s ILE 25 N -0.31 0.81 0.91 2.71 -4.36 -0.61 -4.92 121.20 115.43 1b21 s ILE 25 Ca 0.10 -1.40 -0.13 0.00 -0.26 0.00 0.00 60.65 58.95 1b21 s ILE 25 Cb -0.12 -1.07 0.14 0.00 1.25 0.00 0.00 42.46 42.66 1b21 s ILE 25 CO 0.01 -0.46 1.16 0.42 0.24 0.00 0.00 174.94 176.32 1b21 s THR 26 N -1.95 1.98 0.21 8.37 -4.23 -1.19 -1.13 115.64 117.71 1b21 s THR 26 Ca -0.01 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.40 1b21 s THR 26 Cb -0.06 -2.81 0.15 0.00 1.34 0.00 0.00 72.50 71.12 1b21 s THR 26 CO 0.00 0.00 1.85 0.11 -0.54 0.00 0.00 174.62 176.05 1b21 h LYS 27 N -1.49 1.01 -0.44 3.99 1.57 -1.97 -0.83 116.57 118.42 1b21 h LYS 27 Ca -0.49 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.17 1b21 h LYS 27 Cb 1.32 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 1b21 h LYS 27 CO 0.59 0.71 0.12 0.77 -0.57 0.00 0.00 179.45 181.07 1b21 h SER 28 N 1.02 0.65 -0.79 0.86 0.02 -1.98 -0.77 113.55 112.55 1b21 h SER 28 Ca 0.27 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1b21 h SER 28 Cb -0.05 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.28 1b21 h SER 28 CO -0.05 0.70 0.45 -0.33 -1.14 0.00 0.00 176.83 176.46 1b21 h GLU 29 N 0.57 1.09 -0.10 3.45 5.08 -1.87 0.18 114.58 122.98 1b21 h GLU 29 Ca 0.14 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1b21 h GLU 29 Cb 0.29 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1b21 h GLU 29 CO -0.00 0.79 0.01 0.00 -1.00 0.00 0.00 179.01 178.81 1b21 h ALA 30 N 1.24 0.13 -0.88 3.43 0.00 -0.95 -2.78 119.26 119.45 1b21 h ALA 30 Ca 0.28 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.15 1b21 h ALA 30 Cb 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 1b21 h ALA 30 CO -0.05 -0.20 0.49 1.96 0.00 0.00 0.00 179.25 181.46 1b21 h GLN 31 N -0.09 0.72 0.00 0.00 4.20 -0.83 0.69 115.11 119.79 1b21 h GLN 31 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1b21 h GLN 31 Cb 0.33 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1b21 h GLN 31 CO 0.00 0.48 -0.07 0.00 -0.67 0.00 0.00 178.83 178.58 1b21 h ALA 32 N 1.53 1.68 -0.11 3.87 0.00 -0.78 -1.56 119.26 123.89 1b21 h ALA 32 Ca 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1b21 h ALA 32 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1b21 h ALA 32 CO -0.31 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.30 1b21 n LEU 33 N -4.15 1.44 0.00 0.00 4.77 0.13 -4.90 117.00 114.29 1b21 n LEU 33 Ca -0.03 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 1b21 n LEU 33 Cb 0.15 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1b21 n LEU 33 CO 0.32 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1b21 n GLY 34 N 1.11 0.88 3.68 -0.72 0.00 -0.59 -4.85 105.19 104.70 1b21 n GLY 34 Ca 0.17 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1b21 n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b21 s TRP 35 N -2.00 2.72 -0.30 1.61 -0.00 -0.59 -4.96 118.94 115.41 1b21 s TRP 35 Ca 0.00 0.79 -0.02 0.00 -0.00 0.00 0.00 56.10 56.87 1b21 s TRP 35 Cb 0.00 -3.65 0.05 0.00 -0.00 0.00 0.00 33.47 29.88 1b21 s TRP 35 CO 0.00 -2.41 0.01 0.08 -0.00 0.00 0.00 176.95 174.62 1b21 s VAL 36 N 2.96 2.99 0.25 5.86 1.01 -1.26 -4.44 120.40 127.77 1b21 s VAL 36 Ca 0.63 -1.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 1b21 s VAL 36 Cb -0.29 -2.74 0.23 0.00 0.00 0.00 0.00 36.38 33.58 1b21 s VAL 36 CO 0.24 -0.14 1.78 0.00 0.00 0.00 0.00 175.10 176.98 1b21 h ALA 37 N 7.99 1.23 0.00 5.51 0.00 -1.99 -0.61 119.26 131.39 1b21 h ALA 37 Ca -0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1b21 h ALA 37 Cb 1.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1b21 h ALA 37 CO 0.54 -0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.22 1b21 n SER 38 N -4.81 0.12 -0.26 0.00 7.64 -1.26 -1.75 113.62 113.29 1b21 n SER 38 Ca 0.15 0.53 0.08 0.00 1.01 0.00 0.00 58.87 60.65 1b21 n SER 38 Cb 0.36 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 1b21 n SER 38 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b21 n LYS 39 N -1.63 1.71 -3.81 1.43 5.02 -0.27 -5.01 118.16 115.60 1b21 n LYS 39 Ca 0.03 -0.57 -0.24 0.00 -2.02 0.00 0.00 58.31 55.51 1b21 n LYS 39 Cb 0.15 -1.27 0.02 0.00 -0.02 0.00 0.00 35.03 33.91 1b21 n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b21 n GLY 40 N 1.23 -0.32 0.85 0.72 0.00 -0.72 -4.87 105.19 102.08 1b21 n GLY 40 Ca 0.06 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1b21 n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b21 n ASN 41 N -2.99 3.64 -0.23 1.61 6.94 -1.25 -3.88 115.26 119.11 1b21 n ASN 41 Ca -0.23 -2.67 -0.01 0.00 -0.02 0.00 0.00 54.58 51.66 1b21 n ASN 41 Cb 0.65 -0.45 0.06 0.00 -2.36 0.00 0.00 39.78 37.68 1b21 n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1b21 h LEU 42 N 1.99 -0.72 -1.86 -4.53 5.85 -1.87 0.16 115.31 114.33 1b21 h LEU 42 Ca 0.00 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1b21 h LEU 42 Cb 1.22 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 1b21 h LEU 42 CO 0.16 -0.24 -0.13 0.00 -0.34 0.00 0.00 178.44 177.88 1b21 h ALA 43 N 1.58 1.36 -0.04 1.25 0.00 -1.83 0.12 119.26 121.69 1b21 h ALA 43 Ca 0.31 -0.12 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 1b21 h ALA 43 Cb 0.51 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1b21 h ALA 43 CO -0.70 0.17 -0.92 0.22 0.00 0.00 0.00 179.25 178.01 1b21 h ASP 44 N 0.00 0.78 0.47 0.00 3.58 -1.33 -2.92 116.42 117.00 1b21 h ASP 44 Ca -0.00 -0.58 -0.28 0.00 0.42 0.00 0.00 57.03 56.59 1b21 h ASP 44 Cb 0.33 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.10 1b21 h ASP 44 CO 0.02 1.38 -1.73 1.33 -2.88 0.00 0.00 179.24 177.35 1b21 n VAL 45 N -3.84 1.51 -3.25 2.25 0.24 -0.90 -4.64 118.33 109.70 1b21 n VAL 45 Ca -0.08 -0.78 -0.25 0.00 -2.04 0.00 0.00 64.34 61.19 1b21 n VAL 45 Cb 0.82 -0.93 -0.08 0.00 -1.47 0.00 0.00 33.84 32.19 1b21 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b21 n ALA 46 N -2.55 2.65 -1.66 2.33 0.00 0.38 -5.01 120.51 116.66 1b21 n ALA 46 Ca -0.17 -3.51 -0.49 0.00 0.00 0.00 0.00 53.44 49.28 1b21 n ALA 46 Cb 1.03 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 19.61 1b21 n ALA 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1b21 n PRO 47 N 1.55 1.85 -0.47 0.00 -0.04 -1.10 -1.77 135.00 135.02 1b21 n PRO 47 Ca 0.23 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 1b21 n PRO 47 Cb 0.51 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 1b21 n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b21 n GLY 48 N 3.41 0.94 3.92 0.55 0.00 -1.26 -5.04 105.19 107.71 1b21 n GLY 48 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1b21 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b21 s LYS 49 N -0.43 3.55 0.10 1.61 -0.14 -0.73 -4.78 119.74 118.92 1b21 s LYS 49 Ca 0.00 -0.26 0.06 0.00 -1.36 0.00 0.00 55.97 54.41 1b21 s LYS 49 Cb 0.00 -2.79 -0.03 0.00 -1.68 0.00 0.00 37.83 33.33 1b21 s LYS 49 CO 0.00 0.35 -0.14 -1.12 -0.76 0.00 0.00 175.35 173.68 1b21 s SER 50 N -3.20 1.87 0.23 2.83 0.01 0.11 -4.78 113.70 110.76 1b21 s SER 50 Ca 0.40 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 1b21 s SER 50 Cb -0.11 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 65.98 1b21 s SER 50 CO 0.29 -0.12 0.96 -0.63 0.41 0.00 0.00 173.24 174.15 1b21 s ILE 51 N -1.84 4.06 0.00 1.44 -1.09 -1.26 -1.58 121.20 120.93 1b21 s ILE 51 Ca 0.05 2.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.49 1b21 s ILE 51 Cb -0.07 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.53 1b21 s ILE 51 CO 0.03 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1b21 n GLY 52 N 1.56 1.44 0.00 6.18 0.00 -0.28 -0.08 105.19 114.01 1b21 n GLY 52 Ca -0.01 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1b21 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b21 n GLY 53 N -0.29 2.28 3.79 -0.02 0.00 0.94 -3.14 105.19 108.76 1b21 n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1b21 n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1b21 s ASP 54 N -1.78 6.30 0.23 1.61 1.01 -1.24 -4.71 116.67 118.10 1b21 s ASP 54 Ca 0.00 1.96 -0.30 0.00 0.71 0.00 0.00 52.55 54.92 1b21 s ASP 54 Cb 0.00 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.27 1b21 s ASP 54 CO 0.00 -0.81 1.43 -0.63 0.21 0.00 0.00 175.17 175.38 1b21 s ILE 55 N -1.94 2.74 -0.22 0.77 1.01 -1.26 -1.20 121.20 121.09 1b21 s ILE 55 Ca 0.67 0.61 -0.06 0.00 0.00 0.00 0.00 60.65 61.87 1b21 s ILE 55 Cb -0.17 -3.39 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 1b21 s ILE 55 CO 0.21 0.09 0.04 0.12 0.00 0.00 0.00 174.94 175.40 1b21 s PHE 56 N 0.13 3.09 0.13 3.97 5.36 -0.18 -4.82 117.98 125.66 1b21 s PHE 56 Ca 0.60 -0.38 -0.17 0.00 -0.96 0.00 0.00 56.93 56.02 1b21 s PHE 56 Cb -0.41 -2.16 -0.01 0.00 -0.34 0.00 0.00 43.02 40.10 1b21 s PHE 56 CO 0.41 -0.26 1.73 1.03 -1.46 0.00 0.00 175.22 176.67 1b21 h SER 57 N 7.78 0.47 -3.82 6.13 0.87 -1.95 -3.37 113.55 119.66 1b21 h SER 57 Ca -0.37 -0.10 -0.30 0.00 -1.23 0.00 0.00 61.79 59.79 1b21 h SER 57 Cb 1.18 -0.12 0.07 0.00 -0.44 0.00 0.00 62.40 63.08 1b21 h SER 57 CO 0.60 0.44 -0.46 -3.20 -0.53 0.00 0.00 176.83 173.68 1b21 n ASN 58 N -4.74 -5.03 -0.14 6.23 5.15 -1.26 -4.90 115.26 110.56 1b21 n ASN 58 Ca -0.00 -0.28 -0.01 0.00 -0.60 0.00 0.00 54.58 53.69 1b21 n ASN 58 Cb 0.09 -3.79 0.23 0.00 -0.53 0.00 0.00 39.78 35.78 1b21 n ASN 58 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1b21 h ARG 59 N -1.38 0.85 0.00 1.20 2.43 -2.01 -1.20 114.38 114.28 1b21 h ARG 59 Ca -0.40 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1b21 h ARG 59 Cb 1.27 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 1b21 h ARG 59 CO 0.42 0.68 0.00 0.93 -1.51 0.00 0.00 179.97 180.48 1b21 h GLU 60 N 0.84 0.00 -1.71 0.20 5.08 -2.01 -3.47 114.58 113.51 1b21 h GLU 60 Ca 0.21 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.35 1b21 h GLU 60 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1b21 h GLU 60 CO -0.02 0.00 -0.29 0.41 -1.00 0.00 0.00 179.01 178.11 1b21 n GLY 61 N 0.47 -0.06 0.17 -3.84 0.00 -0.45 -4.91 105.19 96.55 1b21 n GLY 61 Ca 0.03 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.77 1b21 n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b21 h LYS 62 N -0.11 0.00 -6.18 1.61 1.79 -1.91 -3.44 116.57 108.33 1b21 h LYS 62 Ca -0.26 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.59 1b21 h LYS 62 Cb 1.19 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.76 1b21 h LYS 62 CO 0.31 0.00 -0.59 -0.51 -1.08 0.00 0.00 179.45 177.58 1b21 s LEU 63 N -5.38 3.83 -0.43 2.94 1.43 -1.26 -4.92 118.68 114.89 1b21 s LEU 63 Ca 0.08 -0.03 -0.36 0.00 -1.03 0.00 0.00 54.13 52.79 1b21 s LEU 63 Cb 0.09 -2.48 -0.13 0.00 0.03 0.00 0.00 46.19 43.69 1b21 s LEU 63 CO 0.61 0.14 2.23 -2.65 0.23 0.00 0.00 176.35 176.91 1b21 n PRO 64 N 0.20 0.79 -3.22 1.29 -0.02 -1.26 -4.86 135.00 127.92 1b21 n PRO 64 Ca -0.08 0.20 -0.46 0.00 -2.02 0.00 0.00 63.50 61.13 1b21 n PRO 64 Cb 0.52 -2.26 -0.02 0.00 -0.02 0.00 0.00 33.50 31.72 1b21 n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1b21 s GLY 65 N 7.45 2.53 0.32 -1.23 0.00 -1.26 -5.04 107.32 110.09 1b21 s GLY 65 Ca 1.13 -3.24 -0.27 0.00 0.00 0.00 0.00 44.72 42.34 1b21 s GLY 65 CO 0.51 1.47 0.97 1.25 0.00 0.00 0.00 173.10 177.29 1b21 s LYS 66 N 0.68 4.59 -0.88 2.90 2.20 -1.26 -4.97 119.74 123.00 1b21 s LYS 66 Ca 0.23 1.41 -0.25 0.00 -0.36 0.00 0.00 55.97 57.00 1b21 s LYS 66 Cb -0.09 -2.87 0.02 0.00 -1.51 0.00 0.00 37.83 33.38 1b21 s LYS 66 CO -0.09 0.27 1.53 -1.54 -0.36 0.00 0.00 175.35 175.16 1b21 s SER 67 N -1.49 6.05 0.00 1.43 1.04 -1.26 -3.48 113.70 115.98 1b21 s SER 67 Ca 0.49 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1b21 s SER 67 Cb -0.21 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.35 1b21 s SER 67 CO 0.27 -1.90 0.00 0.61 0.98 0.00 0.00 173.24 173.19 1b21 n GLY 68 N 6.32 3.98 3.75 7.32 0.00 -1.26 -5.12 105.19 120.18 1b21 n GLY 68 Ca 0.24 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1b21 n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1b21 s SER 69 N -0.03 3.74 0.00 1.61 0.15 -1.23 -5.06 113.70 112.89 1b21 s SER 69 Ca 0.00 1.35 0.08 0.00 0.70 0.00 0.00 55.95 58.08 1b21 s SER 69 Cb 0.00 -2.03 -0.02 0.00 -1.71 0.00 0.00 66.02 62.25 1b21 s SER 69 CO 0.00 -2.45 -0.25 -0.89 1.20 0.00 0.00 173.24 170.85 1b21 s THR 70 N -3.05 1.98 0.02 6.45 2.01 -1.26 -4.88 115.64 116.92 1b21 s THR 70 Ca 0.63 -1.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 1b21 s THR 70 Cb -0.16 -1.66 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 1b21 s THR 70 CO 0.56 0.49 0.28 0.26 -0.69 0.00 0.00 174.62 175.51 1b21 s TRP 71 N -0.65 3.56 0.12 4.92 0.52 -1.26 -1.98 118.94 124.17 1b21 s TRP 71 Ca 0.10 0.55 0.02 0.00 0.02 0.00 0.00 56.10 56.79 1b21 s TRP 71 Cb -0.10 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.20 1b21 s TRP 71 CO -0.00 0.59 -0.06 1.03 0.02 0.00 0.00 176.95 178.54 1b21 s ARG 72 N -1.89 0.93 0.24 4.98 0.52 0.75 -1.01 118.95 123.47 1b21 s ARG 72 Ca 0.29 -1.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.15 1b21 s ARG 72 Cb -0.13 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.01 1b21 s ARG 72 CO 0.18 -0.03 -0.01 -1.83 0.02 0.00 0.00 175.30 173.62 1b21 s GLU 73 N -3.84 1.39 -0.19 3.54 -1.05 -0.34 -0.87 118.70 117.34 1b21 s GLU 73 Ca 0.15 -1.71 -0.20 0.00 -0.15 0.00 0.00 54.97 53.06 1b21 s GLU 73 Cb 0.05 -0.74 0.06 0.00 -0.44 0.00 0.00 34.13 33.06 1b21 s GLU 73 CO -0.02 -0.07 0.57 0.00 0.95 0.00 0.00 175.26 176.69 1b21 s ALA 74 N -3.33 -1.41 0.30 -0.84 0.00 -0.79 -0.04 121.76 115.65 1b21 s ALA 74 Ca 0.29 1.53 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 1b21 s ALA 74 Cb 0.05 -0.82 -0.10 0.00 0.00 0.00 0.00 23.12 22.26 1b21 s ALA 74 CO 0.10 -0.28 1.12 -0.51 0.00 0.00 0.00 175.76 176.19 1b21 s ASP 75 N 0.11 7.14 0.10 0.00 1.11 0.89 0.09 116.67 126.11 1b21 s ASP 75 Ca -0.01 2.31 0.09 0.00 0.18 0.00 0.00 52.55 55.11 1b21 s ASP 75 Cb -0.04 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 1b21 s ASP 75 CO 0.02 -0.24 -0.20 -0.63 1.18 0.00 0.00 175.17 175.30 1b21 s ILE 76 N -1.20 2.69 -1.43 0.77 -1.09 -0.64 -4.70 121.20 115.59 1b21 s ILE 76 Ca 0.46 -1.48 0.00 0.00 -2.23 0.00 0.00 60.65 57.41 1b21 s ILE 76 Cb -0.32 -2.20 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1b21 s ILE 76 CO 0.42 0.16 0.00 0.59 -1.23 0.00 0.00 174.94 174.88 1b21 n ASN 77 N 1.03 -4.67 -4.75 3.58 3.02 0.66 -4.55 115.26 109.58 1b21 n ASN 77 Ca -0.16 0.16 -0.35 0.00 -0.03 0.00 0.00 54.58 54.19 1b21 n ASN 77 Cb 0.53 -3.66 -0.08 0.00 -0.61 0.00 0.00 39.78 35.95 1b21 n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b21 s TYR 78 N -2.66 3.44 0.00 3.10 5.04 -1.26 -4.93 117.35 120.08 1b21 s TYR 78 Ca 0.00 0.36 0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1b21 s TYR 78 Cb 0.00 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 40.18 1b21 s TYR 78 CO 0.00 0.36 0.00 0.25 -1.34 0.00 0.00 175.55 174.82 1b21 n THR 79 N 3.29 0.00 -3.50 4.34 -2.24 -1.26 -4.87 114.28 110.05 1b21 n THR 79 Ca -0.17 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1b21 n THR 79 Cb 0.52 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1b21 n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1b21 s SER 80 N -3.41 -0.42 0.00 3.42 1.04 -1.26 -4.68 113.70 108.38 1b21 s SER 80 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1b21 s SER 80 Cb 0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1b21 s SER 80 CO 0.00 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1b21 n GLY 81 N -0.31 -1.86 3.77 7.32 0.00 -1.25 -4.93 105.19 107.92 1b21 n GLY 81 Ca -0.11 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1b21 n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b21 s PHE 82 N 0.00 2.67 0.48 1.61 0.40 -1.25 -4.35 117.98 117.53 1b21 s PHE 82 Ca 0.00 1.55 -0.23 0.00 -0.60 0.00 0.00 56.93 57.64 1b21 s PHE 82 Cb 0.00 -3.16 -0.08 0.00 0.51 0.00 0.00 43.02 40.28 1b21 s PHE 82 CO 0.00 -1.61 1.15 0.54 0.70 0.00 0.00 175.22 176.00 1b21 n ARG 83 N -2.25 1.53 -0.26 0.44 1.74 -1.26 -5.01 116.66 111.58 1b21 n ARG 83 Ca 0.10 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 1b21 n ARG 83 Cb 0.52 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 1b21 n ARG 83 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1b21 n ASN 84 N -0.10 0.00 -1.32 0.55 0.23 -1.26 -5.01 115.26 108.35 1b21 n ASN 84 Ca 0.09 -0.58 0.12 0.00 -0.53 0.00 0.00 54.58 53.69 1b21 n ASN 84 Cb 0.42 0.00 0.31 0.00 -2.08 0.00 0.00 39.78 38.43 1b21 n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1b21 n SER 85 N -1.73 3.89 -4.72 0.53 3.41 -1.26 -4.93 113.62 108.81 1b21 n SER 85 Ca 0.00 -2.00 -0.36 0.00 -0.26 0.00 0.00 58.87 56.25 1b21 n SER 85 Cb 0.00 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 63.42 1b21 n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1b21 s ASP 86 N -1.06 6.31 0.01 4.04 1.01 -1.26 -2.01 116.67 123.71 1b21 s ASP 86 Ca 0.47 0.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.06 1b21 s ASP 86 Cb 0.25 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 42.03 1b21 s ASP 86 CO 0.33 0.12 0.06 -0.13 0.21 0.00 0.00 175.17 175.76 1b21 s ARG 87 N 0.53 0.38 -0.12 8.23 1.81 -0.84 -1.63 118.95 127.31 1b21 s ARG 87 Ca 0.12 -0.45 -0.03 0.00 -1.72 0.00 0.00 55.73 53.65 1b21 s ARG 87 Cb -0.12 0.15 -0.03 0.00 -0.45 0.00 0.00 34.95 34.50 1b21 s ARG 87 CO 0.02 -0.08 -0.01 -1.50 -0.68 0.00 0.00 175.30 173.05 1b21 s ILE 88 N -1.31 4.21 -0.16 1.52 2.07 0.11 -1.60 121.20 126.04 1b21 s ILE 88 Ca -0.14 -0.27 -0.04 0.00 -1.41 0.00 0.00 60.65 58.80 1b21 s ILE 88 Cb -0.08 -2.81 -0.02 0.00 0.13 0.00 0.00 42.46 39.67 1b21 s ILE 88 CO 0.00 0.54 -0.04 -0.76 -1.91 0.00 0.00 174.94 172.78 1b21 s LEU 89 N -0.26 3.19 -0.01 8.50 2.01 0.07 -1.89 118.68 130.28 1b21 s LEU 89 Ca 0.06 -0.17 0.00 0.00 0.01 0.00 0.00 54.13 54.03 1b21 s LEU 89 Cb -0.12 -1.77 0.01 0.00 0.01 0.00 0.00 46.19 44.32 1b21 s LEU 89 CO 0.02 0.15 0.01 -0.72 1.01 0.00 0.00 176.35 176.82 1b21 s TYR 90 N 0.49 0.05 0.63 0.29 1.13 -0.05 -0.62 117.35 119.27 1b21 s TYR 90 Ca -0.04 0.05 0.07 0.00 -1.41 0.00 0.00 57.07 55.74 1b21 s TYR 90 Cb -0.14 -0.14 0.11 0.00 -1.10 0.00 0.00 41.96 40.69 1b21 s TYR 90 CO 0.03 -0.05 0.87 -1.54 -2.51 0.00 0.00 175.55 172.36 1b21 s SER 91 N 0.51 4.81 0.40 -0.18 1.04 -1.01 -0.18 113.70 119.09 1b21 s SER 91 Ca -0.04 -0.78 0.07 0.00 0.48 0.00 0.00 55.95 55.68 1b21 s SER 91 Cb -0.06 0.34 0.82 0.00 0.10 0.00 0.00 66.02 67.22 1b21 s SER 91 CO -0.01 -1.56 2.04 0.28 0.98 0.00 0.00 173.24 174.96 1b21 h SER 92 N -0.07 0.53 -0.67 7.02 0.02 -1.75 -2.19 113.55 116.44 1b21 h SER 92 Ca -0.30 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.46 1b21 h SER 92 Cb 1.28 -0.13 -0.11 0.00 0.14 0.00 0.00 62.40 63.59 1b21 h SER 92 CO 0.39 0.38 0.23 0.59 -1.14 0.00 0.00 176.83 177.28 1b21 n ASN 93 N -4.47 4.68 -2.73 3.07 3.02 -1.26 -4.93 115.26 112.65 1b21 n ASN 93 Ca 0.05 -3.08 -0.19 0.00 -0.03 0.00 0.00 54.58 51.32 1b21 n ASN 93 Cb 0.09 -0.72 0.01 0.00 -0.61 0.00 0.00 39.78 38.54 1b21 n ASN 93 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1b21 n TRP 94 N -0.03 -1.50 -2.29 3.10 7.02 -0.82 -4.97 117.44 117.95 1b21 n TRP 94 Ca 0.36 0.22 -0.42 0.00 -1.02 0.00 0.00 57.50 56.64 1b21 n TRP 94 Cb 1.29 -3.67 -0.03 0.00 -2.42 0.00 0.00 31.31 26.48 1b21 n TRP 94 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1b21 s LEU 95 N -6.18 4.35 -0.08 -0.99 0.20 -1.26 -4.84 118.68 109.87 1b21 s LEU 95 Ca 0.14 2.12 0.04 0.00 0.69 0.00 0.00 54.13 57.13 1b21 s LEU 95 Cb -0.07 -3.57 -0.01 0.00 -0.43 0.00 0.00 46.19 42.11 1b21 s LEU 95 CO 0.18 -0.61 -0.21 -0.63 -0.29 0.00 0.00 176.35 174.79 1b21 s ILE 96 N 1.55 2.39 0.25 6.68 -1.09 -0.92 -2.40 121.20 127.66 1b21 s ILE 96 Ca 0.62 -0.93 0.05 0.00 -2.23 0.00 0.00 60.65 58.16 1b21 s ILE 96 Cb -0.32 -1.92 -0.05 0.00 -1.58 0.00 0.00 42.46 38.59 1b21 s ILE 96 CO 0.28 0.56 -0.05 -0.31 -1.23 0.00 0.00 174.94 174.20 1b21 s TYR 97 N -0.06 1.74 0.06 3.97 1.51 0.20 -0.93 117.35 123.84 1b21 s TYR 97 Ca -0.06 -0.78 0.02 0.00 -1.01 0.00 0.00 57.07 55.25 1b21 s TYR 97 Cb -0.14 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.70 1b21 s TYR 97 CO 0.05 0.15 -0.07 -1.59 -1.11 0.00 0.00 175.55 172.98 1b21 s LYS 98 N -3.77 0.60 -0.01 -0.62 -2.85 0.26 -0.75 119.74 112.59 1b21 s LYS 98 Ca 0.28 -0.91 0.02 0.00 -1.00 0.00 0.00 55.97 54.36 1b21 s LYS 98 Cb 0.04 -0.24 0.00 0.00 -2.06 0.00 0.00 37.83 35.57 1b21 s LYS 98 CO 0.09 0.02 -0.05 -0.08 0.10 0.00 0.00 175.35 175.44 1b21 s THR 99 N -2.01 0.44 0.00 3.79 -1.32 -0.63 -0.96 115.64 114.95 1b21 s THR 99 Ca -0.04 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.23 1b21 s THR 99 Cb -0.06 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.54 1b21 s THR 99 CO -0.01 0.14 0.90 0.35 -2.21 0.00 0.00 174.62 173.78 1b21 n THR 100 N 3.13 0.81 -2.73 5.08 -2.24 -1.26 -1.99 114.28 115.08 1b21 n THR 100 Ca -0.15 -0.83 -0.05 0.00 -2.27 0.00 0.00 64.05 60.75 1b21 n THR 100 Cb 0.57 0.61 0.04 0.00 -2.10 0.00 0.00 70.33 69.44 1b21 n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1b21 n ASP 101 N -0.40 1.76 -3.46 3.42 5.68 -1.16 -4.55 116.55 117.85 1b21 n ASP 101 Ca 0.00 -2.40 -0.23 0.00 -0.50 0.00 0.00 54.79 51.67 1b21 n ASP 101 Cb 0.27 -0.49 0.05 0.00 -1.14 0.00 0.00 41.12 39.82 1b21 n ASP 101 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1b21 n HIS 102 N -0.41 -2.22 -1.39 2.11 8.25 -0.85 -2.98 115.22 117.74 1b21 n HIS 102 Ca 0.10 0.67 -0.14 0.00 -0.26 0.00 0.00 57.72 58.10 1b21 n HIS 102 Cb 0.81 -3.77 -0.06 0.00 1.12 0.00 0.00 29.99 28.10 1b21 n HIS 102 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1b21 n TYR 103 N -3.61 -0.03 -0.03 4.41 4.01 -1.26 -4.88 117.16 115.77 1b21 n TYR 103 Ca -0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 1b21 n TYR 103 Cb 0.60 -2.94 -0.11 0.00 -0.31 0.00 0.00 39.34 36.58 1b21 n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1b21 h GLN 104 N 0.00 -0.02 -5.20 -0.72 4.20 -1.95 -3.46 115.11 107.97 1b21 h GLN 104 Ca -0.28 0.00 -0.41 0.00 0.06 0.00 0.00 58.65 58.02 1b21 h GLN 104 Cb 1.20 0.01 -0.24 0.00 0.30 0.00 0.00 27.48 28.75 1b21 h GLN 104 CO 0.41 0.68 -0.78 0.95 -0.67 0.00 0.00 178.83 179.42 1b21 s THR 105 N -3.21 1.02 0.10 -0.54 -4.23 -1.26 -5.12 115.64 102.39 1b21 s THR 105 Ca -0.17 -1.04 0.08 0.00 -1.18 0.00 0.00 61.69 59.38 1b21 s THR 105 Cb -0.01 -0.95 -0.03 0.00 1.34 0.00 0.00 72.50 72.85 1b21 s THR 105 CO 0.65 -0.08 -0.21 -0.36 -0.54 0.00 0.00 174.62 174.07 1b21 s PHE 106 N -0.97 1.79 -0.07 3.99 0.08 -1.26 -4.36 117.98 117.18 1b21 s PHE 106 Ca -0.00 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.64 1b21 s PHE 106 Cb -0.08 -0.99 0.02 0.00 -0.57 0.00 0.00 43.02 41.40 1b21 s PHE 106 CO 0.01 0.20 -0.10 0.99 -0.10 0.00 0.00 175.22 176.22 1b21 s THR 107 N -1.14 1.01 0.18 0.64 2.01 -0.14 -4.96 115.64 113.24 1b21 s THR 107 Ca 0.06 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 1b21 s THR 107 Cb -0.10 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.37 1b21 s THR 107 CO 0.04 0.34 1.28 -0.75 -0.69 0.00 0.00 174.62 174.84 1b21 s LYS 108 N 0.96 4.41 0.00 4.92 2.20 -1.26 -0.58 119.74 130.39 1b21 s LYS 108 Ca -0.09 2.00 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 1b21 s LYS 108 Cb -0.15 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1b21 s LYS 108 CO 0.00 -0.24 0.00 0.44 -0.36 0.00 0.00 175.35 175.20 1b21 n ILE 109 N 2.84 0.00 -0.88 5.43 -5.35 -0.11 -4.90 119.36 116.38 1b21 n ILE 109 Ca 0.06 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1b21 n ILE 109 Cb 0.43 0.47 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 1b21 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33