#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b21 s VAL 3 N 0.00 4.50 -0.05 5.09 1.01 -1.26 -1.00 120.40 128.69 1b21 s VAL 3 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.62 1b21 s VAL 3 Cb 0.00 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.29 1b21 s VAL 3 CO 0.00 0.29 0.46 -0.63 0.00 0.00 0.00 175.10 175.22 1b21 s ILE 4 N 1.64 0.03 0.00 2.22 1.09 -1.26 -5.03 121.20 119.89 1b21 s ILE 4 Ca 0.06 -0.25 0.05 0.00 -1.10 0.00 0.00 60.65 59.41 1b21 s ILE 4 Cb -0.15 -0.75 0.09 0.00 -1.06 0.00 0.00 42.46 40.58 1b21 s ILE 4 CO 0.05 -0.14 0.94 -0.46 -0.10 0.00 0.00 174.94 175.23 1b21 n ASN 5 N 1.35 0.13 -4.97 3.58 6.94 -1.26 -4.79 115.26 116.25 1b21 n ASN 5 Ca -0.20 -1.81 -0.21 0.00 -0.02 0.00 0.00 54.58 52.34 1b21 n ASN 5 Cb 0.56 -0.14 -0.00 0.00 -2.36 0.00 0.00 39.78 37.84 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 4.32 0.11 5.53 -4.23 -1.26 -1.10 115.64 119.00 1b21 s THR 6 Ca 0.07 -0.72 -0.20 0.00 -1.18 0.00 0.00 61.69 59.66 1b21 s THR 6 Cb 0.08 -3.55 -0.09 0.00 1.34 0.00 0.00 72.50 70.29 1b21 s THR 6 CO -0.04 -0.30 1.72 -0.26 -0.54 0.00 0.00 174.62 175.20 1b21 h PHE 7 N 0.70 0.24 -0.26 3.99 0.04 -1.99 -1.45 116.94 118.21 1b21 h PHE 7 Ca -0.47 -0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.18 1b21 h PHE 7 Cb 1.25 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.32 1b21 h PHE 7 CO 0.45 0.21 -0.29 -0.44 -0.60 0.00 0.00 178.31 177.64 1b21 h ASP 8 N 0.20 0.70 -0.11 2.17 3.32 -1.98 -1.98 116.42 118.73 1b21 h ASP 8 Ca 0.06 -0.49 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1b21 h ASP 8 Cb 0.05 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1b21 h ASP 8 CO -0.01 1.05 0.06 1.23 -1.72 0.00 0.00 179.24 179.84 1b21 h GLY 9 N 0.38 0.17 1.43 2.75 0.00 -1.95 -1.54 103.07 104.30 1b21 h GLY 9 Ca 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 1b21 h GLY 9 CO 0.07 0.08 -0.41 -2.08 0.00 0.00 0.00 176.54 174.21 1b21 h VAL 10 N 0.07 1.30 -0.33 4.60 2.07 -1.34 -2.24 116.25 120.38 1b21 h VAL 10 Ca 0.04 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 1b21 h VAL 10 Cb 0.10 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1b21 h VAL 10 CO -0.01 0.50 0.18 0.00 0.02 0.00 0.00 177.57 178.27 1b21 h ALA 11 N 1.03 0.42 -0.31 1.67 0.00 -1.22 -0.56 119.26 120.29 1b21 h ALA 11 Ca 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1b21 h ALA 11 Cb 0.92 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1b21 h ALA 11 CO 0.08 -0.05 0.11 -0.44 0.00 0.00 0.00 179.25 178.95 1b21 h ASP 12 N 0.41 0.44 -0.81 0.00 3.32 -1.26 -2.20 116.42 116.33 1b21 h ASP 12 Ca 0.12 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1b21 h ASP 12 Cb 0.06 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1b21 h ASP 12 CO -0.02 0.51 0.53 0.22 -1.72 0.00 0.00 179.24 178.76 1b21 h TYR 13 N 0.35 1.04 -0.18 4.55 5.03 -1.28 0.09 116.97 126.57 1b21 h TYR 13 Ca 0.10 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.40 1b21 h TYR 13 Cb 0.22 -0.35 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1b21 h TYR 13 CO 0.00 0.67 0.01 -0.07 -1.32 0.00 0.00 178.16 177.45 1b21 h LEU 14 N 1.11 0.31 -1.14 2.82 3.38 -1.02 0.97 115.31 121.74 1b21 h LEU 14 Ca 0.30 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1b21 h LEU 14 Cb -0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1b21 h LEU 14 CO -0.06 0.53 -0.37 1.56 0.09 0.00 0.00 178.44 180.19 1b21 h GLN 15 N 0.08 0.11 0.02 1.13 4.20 -1.17 0.17 115.11 119.65 1b21 h GLN 15 Ca 0.05 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 1b21 h GLN 15 Cb 0.37 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1b21 h GLN 15 CO 0.01 0.47 -0.74 1.15 -0.67 0.00 0.00 178.83 179.05 1b21 h THR 16 N 0.10 1.32 -0.02 -0.54 2.02 -0.92 -3.40 112.91 111.47 1b21 h THR 16 Ca 0.01 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1b21 h THR 16 Cb 0.70 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1b21 h THR 16 CO 0.05 0.50 -0.13 -1.22 0.37 0.00 0.00 175.52 175.09 1b21 n TYR 17 N -4.43 0.00 -3.87 3.16 4.01 0.33 -5.01 117.16 111.34 1b21 n TYR 17 Ca -0.21 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.28 1b21 n TYR 17 Cb 0.63 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.66 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 0.62 -1.74 -3.60 -0.72 8.25 0.59 -4.95 115.22 113.67 1b21 n HIS 18 Ca 0.09 0.78 -0.05 0.00 -0.26 0.00 0.00 57.72 58.28 1b21 n HIS 18 Cb 0.43 -3.95 -0.03 0.00 1.12 0.00 0.00 29.99 27.56 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 -6.37 0.35 0.57 -0.41 -2.85 -1.26 -5.07 119.74 104.69 1b21 s LYS 19 Ca 0.02 -0.05 -0.14 0.00 -1.00 0.00 0.00 55.97 54.80 1b21 s LYS 19 Cb -0.01 0.16 -0.06 0.00 -2.06 0.00 0.00 37.83 35.86 1b21 s LYS 19 CO 0.86 -0.14 1.01 -0.51 0.10 0.00 0.00 175.35 176.68 1b21 s LEU 20 N -1.75 3.45 1.08 2.77 1.43 -1.26 -4.22 118.68 120.19 1b21 s LEU 20 Ca 0.07 1.55 -0.12 0.00 -1.03 0.00 0.00 54.13 54.59 1b21 s LEU 20 Cb -0.01 -4.50 0.24 0.00 0.03 0.00 0.00 46.19 41.95 1b21 s LEU 20 CO -0.05 -0.79 1.06 -2.84 0.23 0.00 0.00 176.35 173.97 1b21 s PRO 21 N -4.50 -0.28 0.10 1.29 0.02 -1.26 -4.91 135.00 125.46 1b21 s PRO 21 Ca 0.58 1.01 0.16 0.00 0.02 0.00 0.00 61.00 62.78 1b21 s PRO 21 Cb -0.11 -1.62 0.70 0.00 0.02 0.00 0.00 34.50 33.50 1b21 s PRO 21 CO 0.41 -3.35 1.51 -3.47 -0.33 0.00 0.00 177.00 171.77 1b21 n ASP 22 N -4.67 0.24 -0.05 2.53 2.03 -0.17 -2.85 116.55 113.61 1b21 n ASP 22 Ca 0.06 0.57 0.16 0.00 0.52 0.00 0.00 54.79 56.09 1b21 n ASP 22 Cb 0.54 -0.62 0.90 0.00 -0.72 0.00 0.00 41.12 41.22 1b21 n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1b21 n ASN 23 N -1.78 0.15 -4.84 1.67 6.94 -1.26 -4.83 115.26 111.31 1b21 n ASN 23 Ca 0.02 -1.06 -0.37 0.00 -0.02 0.00 0.00 54.58 53.16 1b21 n ASN 23 Cb 0.16 -0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.52 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 3.54 0.02 -2.53 2.02 -1.13 -1.34 117.35 115.93 1b21 s TYR 24 Ca 0.46 0.47 0.04 0.00 -0.37 0.00 0.00 57.07 57.67 1b21 s TYR 24 Cb 0.22 -1.97 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 1b21 s TYR 24 CO 0.36 0.64 -0.11 0.96 -1.57 0.00 0.00 175.55 175.84 1b21 s ILE 25 N -0.77 0.85 0.92 2.71 -4.36 -0.55 -4.88 121.20 115.12 1b21 s ILE 25 Ca 0.14 -0.74 -0.12 0.00 -0.26 0.00 0.00 60.65 59.66 1b21 s ILE 25 Cb -0.12 -0.76 0.14 0.00 1.25 0.00 0.00 42.46 42.97 1b21 s ILE 25 CO 0.03 0.03 1.12 0.42 0.24 0.00 0.00 174.94 176.77 1b21 s THR 26 N -0.65 2.19 0.19 8.37 -4.23 -1.17 -0.47 115.64 119.87 1b21 s THR 26 Ca 0.01 0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 1b21 s THR 26 Cb -0.06 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.17 1b21 s THR 26 CO 0.00 -0.08 1.85 0.11 -0.54 0.00 0.00 174.62 175.96 1b21 h LYS 27 N -1.57 0.78 -0.54 3.99 1.57 -1.97 0.21 116.57 119.04 1b21 h LYS 27 Ca -0.51 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.28 1b21 h LYS 27 Cb 1.32 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.40 1b21 h LYS 27 CO 0.60 0.52 0.25 1.03 -0.57 0.00 0.00 179.45 181.28 1b21 h SER 28 N 0.81 0.33 -0.44 0.86 0.87 -1.99 0.23 113.55 114.22 1b21 h SER 28 Ca 0.24 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1b21 h SER 28 Cb -0.05 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1b21 h SER 28 CO -0.07 0.22 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.10 1b21 h GLU 29 N 0.47 0.78 -0.00 2.24 5.08 -1.74 -0.75 114.58 120.66 1b21 h GLU 29 Ca 0.25 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1b21 h GLU 29 Cb 0.21 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1b21 h GLU 29 CO -0.21 0.86 -0.00 0.00 -1.00 0.00 0.00 179.01 178.66 1b21 h ALA 30 N 0.90 0.00 -0.47 3.43 0.00 -0.22 -1.76 119.26 121.14 1b21 h ALA 30 Ca 0.12 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1b21 h ALA 30 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1b21 h ALA 30 CO 0.03 -0.50 0.12 1.96 0.00 0.00 0.00 179.25 180.86 1b21 h GLN 31 N -0.00 0.26 0.00 0.00 4.20 -0.36 -0.29 115.11 118.92 1b21 h GLN 31 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1b21 h GLN 31 Cb 0.00 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1b21 h GLN 31 CO -0.00 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 178.33 1b21 h ALA 32 N 1.34 1.00 -0.01 3.87 0.00 -0.75 -0.22 119.26 124.49 1b21 h ALA 32 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1b21 h ALA 32 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1b21 h ALA 32 CO -0.28 0.00 -0.25 1.28 0.00 0.00 0.00 179.25 180.00 1b21 n LEU 33 N -2.78 1.19 0.00 0.00 4.77 -0.48 -4.94 117.00 114.75 1b21 n LEU 33 Ca -0.01 -0.34 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 1b21 n LEU 33 Cb 0.15 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1b21 n LEU 33 CO 0.20 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1b21 n GLY 34 N 1.33 1.20 3.71 -0.72 0.00 -0.10 -4.85 105.19 105.77 1b21 n GLY 34 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 2.98 -0.33 1.61 -0.00 -0.24 -4.91 118.94 116.04 1b21 s TRP 35 Ca 0.00 0.73 0.02 0.00 -0.00 0.00 0.00 56.10 56.85 1b21 s TRP 35 Cb 0.00 -3.79 0.10 0.00 -0.00 0.00 0.00 33.47 29.78 1b21 s TRP 35 CO 0.00 -2.93 0.07 0.08 -0.00 0.00 0.00 176.95 174.17 1b21 s VAL 36 N 1.61 1.81 0.24 5.86 1.01 -1.26 -4.48 120.40 125.19 1b21 s VAL 36 Ca 0.68 -2.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 1b21 s VAL 36 Cb -0.38 -2.35 0.34 0.00 0.00 0.00 0.00 36.38 33.99 1b21 s VAL 36 CO 0.30 -0.63 1.59 0.00 0.00 0.00 0.00 175.10 176.36 1b21 h ALA 37 N 7.74 0.49 0.00 5.51 0.00 -1.98 -1.18 119.26 129.84 1b21 h ALA 37 Ca -0.07 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1b21 h ALA 37 Cb 1.01 0.67 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1b21 h ALA 37 CO 0.51 -0.43 -0.02 0.77 0.00 0.00 0.00 179.25 180.07 1b21 h SER 38 N -0.01 0.00 0.07 0.00 0.02 -2.03 -0.69 113.55 110.91 1b21 h SER 38 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1b21 h SER 38 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 1b21 h SER 38 CO -0.86 0.02 -0.18 0.29 -1.14 0.00 0.00 176.83 174.96 1b21 n LYS 39 N -3.19 1.40 -3.91 3.45 5.02 -0.46 -4.97 118.16 115.50 1b21 n LYS 39 Ca -0.01 -0.96 -0.26 0.00 -2.02 0.00 0.00 58.31 55.06 1b21 n LYS 39 Cb 0.21 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.31 -0.30 1.10 0.72 0.00 -0.27 -4.90 105.19 102.85 1b21 n GLY 40 Ca 0.14 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.42 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 -2.95 4.26 -0.24 1.61 6.94 -1.25 -3.99 115.26 119.64 1b21 n ASN 41 Ca -0.29 -2.96 -0.01 0.00 -0.02 0.00 0.00 54.58 51.30 1b21 n ASN 41 Cb 0.68 -0.56 0.11 0.00 -2.36 0.00 0.00 39.78 37.64 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 2.30 0.54 -0.50 -4.53 5.85 -1.87 -1.40 115.31 115.69 1b21 h LEU 42 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1b21 h LEU 42 Cb 1.53 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.50 1b21 h LEU 42 CO 0.27 0.34 0.00 0.00 -0.34 0.00 0.00 178.44 178.71 1b21 n ALA 43 N -2.37 1.86 0.10 1.25 0.00 -1.26 -0.01 120.51 120.08 1b21 n ALA 43 Ca 0.09 0.05 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 1b21 n ALA 43 Cb 0.20 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.11 1b21 n ALA 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1b21 h ASP 44 N 0.00 0.46 0.08 0.00 3.32 -1.62 -2.78 116.42 115.88 1b21 h ASP 44 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1b21 h ASP 44 Cb 0.49 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1b21 h ASP 44 CO 0.00 1.35 -1.32 1.33 -1.72 0.00 0.00 179.24 178.88 1b21 n VAL 45 N -3.58 0.03 -2.88 -1.35 0.24 -0.95 -4.70 118.33 105.13 1b21 n VAL 45 Ca -0.08 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.34 61.88 1b21 n VAL 45 Cb 0.99 0.52 0.02 0.00 -1.47 0.00 0.00 33.84 33.91 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 -1.80 -0.21 -1.67 2.33 0.00 0.99 -4.91 120.51 115.25 1b21 n ALA 46 Ca 0.01 -2.02 -0.45 0.00 0.00 0.00 0.00 53.44 50.98 1b21 n ALA 46 Cb 0.43 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1b21 n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1b21 n PRO 47 N 1.44 2.01 0.00 0.00 -0.02 -1.05 -1.62 135.00 135.76 1b21 n PRO 47 Ca 0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1b21 n PRO 47 Cb 0.61 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1b21 n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b21 n GLY 48 N 2.44 2.51 3.92 -1.23 0.00 -1.26 -5.02 105.19 106.55 1b21 n GLY 48 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.23 3.55 0.08 1.61 -0.14 -0.64 -4.88 119.74 119.09 1b21 s LYS 49 Ca 0.00 -0.08 0.02 0.00 -1.36 0.00 0.00 55.97 54.56 1b21 s LYS 49 Cb 0.00 -2.57 -0.03 0.00 -1.68 0.00 0.00 37.83 33.55 1b21 s LYS 49 CO 0.00 0.06 -0.08 -1.12 -0.76 0.00 0.00 175.35 173.45 1b21 s SER 50 N -3.81 1.09 0.22 2.83 0.01 -0.45 -4.83 113.70 108.76 1b21 s SER 50 Ca 0.43 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 1b21 s SER 50 Cb -0.10 0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 1b21 s SER 50 CO 0.37 -0.32 1.27 -0.63 0.41 0.00 0.00 173.24 174.33 1b21 s ILE 51 N -2.52 3.23 -0.25 1.44 -1.09 -1.26 -1.48 121.20 119.28 1b21 s ILE 51 Ca 0.02 1.06 -0.32 0.00 -2.23 0.00 0.00 60.65 59.18 1b21 s ILE 51 Cb -0.02 -3.68 0.17 0.00 -1.58 0.00 0.00 42.46 37.35 1b21 s ILE 51 CO -0.02 0.18 1.28 -0.83 -1.23 0.00 0.00 174.94 174.32 1b21 s GLY 52 N 0.08 -0.08 0.00 6.18 0.00 0.38 -0.49 107.32 113.39 1b21 s GLY 52 Ca 0.54 2.32 0.00 0.00 0.00 0.00 0.00 44.72 47.58 1b21 s GLY 52 CO 0.40 0.90 0.00 0.61 0.00 0.00 0.00 173.10 175.01 1b21 n GLY 53 N 0.34 0.50 3.84 0.20 0.00 0.52 -3.04 105.19 107.54 1b21 n GLY 53 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.70 6.76 0.21 1.61 1.01 -1.21 -4.79 116.67 117.57 1b21 s ASP 54 Ca 0.00 1.44 -0.31 0.00 0.71 0.00 0.00 52.55 54.39 1b21 s ASP 54 Cb 0.00 -2.44 -0.10 0.00 1.01 0.00 0.00 42.92 41.38 1b21 s ASP 54 CO 0.00 -0.35 1.56 -0.63 0.21 0.00 0.00 175.17 175.96 1b21 s ILE 55 N -2.22 2.47 -0.27 0.77 1.01 -1.26 -1.12 121.20 120.59 1b21 s ILE 55 Ca 0.57 0.36 -0.06 0.00 0.00 0.00 0.00 60.65 61.52 1b21 s ILE 55 Cb -0.10 -3.23 -0.00 0.00 0.01 0.00 0.00 42.46 39.14 1b21 s ILE 55 CO 0.20 0.04 0.05 0.12 0.00 0.00 0.00 174.94 175.35 1b21 s PHE 56 N 0.69 3.09 0.39 3.97 5.36 0.88 -4.84 117.98 127.51 1b21 s PHE 56 Ca 0.67 -0.88 0.06 0.00 -0.96 0.00 0.00 56.93 55.82 1b21 s PHE 56 Cb -0.45 -2.21 0.77 0.00 -0.34 0.00 0.00 43.02 40.80 1b21 s PHE 56 CO 0.37 -0.53 2.02 0.77 -1.46 0.00 0.00 175.22 176.39 1b21 h SER 57 N 8.20 0.52 -5.92 6.13 0.02 -1.95 -3.37 113.55 117.18 1b21 h SER 57 Ca -0.35 -0.03 -0.43 0.00 -0.84 0.00 0.00 61.79 60.14 1b21 h SER 57 Cb 1.14 -0.13 0.07 0.00 0.14 0.00 0.00 62.40 63.62 1b21 h SER 57 CO 0.60 0.42 -0.70 -3.20 -1.14 0.00 0.00 176.83 172.80 1b21 n ASN 58 N -4.43 -5.83 0.25 3.07 5.15 -1.26 -4.88 115.26 107.34 1b21 n ASN 58 Ca 0.03 -0.60 0.12 0.00 -0.60 0.00 0.00 54.58 53.53 1b21 n ASN 58 Cb 0.09 -4.61 0.67 0.00 -0.53 0.00 0.00 39.78 35.40 1b21 n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1b21 h ARG 59 N -2.40 0.00 -0.05 1.20 3.08 -1.99 -1.98 114.38 112.23 1b21 h ARG 59 Ca -0.57 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1b21 h ARG 59 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1b21 h ARG 59 CO 0.60 0.15 0.00 0.39 -1.07 0.00 0.00 179.97 180.04 1b21 n GLU 60 N -3.60 1.47 -2.07 0.04 1.02 -1.26 -4.92 120.64 111.32 1b21 n GLU 60 Ca -0.01 -0.69 -0.16 0.00 -0.02 0.00 0.00 57.16 56.27 1b21 n GLU 60 Cb 0.28 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 1b21 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b21 n GLY 61 N 1.08 0.26 0.08 0.62 0.00 -0.75 -4.90 105.19 101.58 1b21 n GLY 61 Ca 0.19 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.01 -5.93 1.61 1.57 -1.92 -3.43 116.57 108.48 1b21 h LYS 62 Ca -0.37 -0.02 -0.62 0.00 -1.87 0.00 0.00 60.65 57.77 1b21 h LYS 62 Cb 1.23 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 1b21 h LYS 62 CO 0.47 0.92 -0.40 -0.51 -0.57 0.00 0.00 179.45 179.36 1b21 s LEU 63 N -6.95 4.35 0.31 2.94 1.43 -1.26 -4.92 118.68 114.59 1b21 s LEU 63 Ca 0.00 0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 53.33 1b21 s LEU 63 Cb 0.11 -2.79 -0.13 0.00 0.03 0.00 0.00 46.19 43.41 1b21 s LEU 63 CO 0.81 0.22 1.16 -0.81 0.23 0.00 0.00 176.35 177.95 1b21 n PRO 64 N 0.86 1.75 -4.32 1.29 -0.04 -1.26 -5.01 135.00 128.27 1b21 n PRO 64 Ca -0.09 0.61 -0.24 0.00 -0.04 0.00 0.00 63.50 63.74 1b21 n PRO 64 Cb 0.52 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.81 1b21 n PRO 64 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1b21 s GLY 65 N -0.42 1.98 -0.12 0.55 0.00 -1.26 -5.07 107.32 102.98 1b21 s GLY 65 Ca 0.57 -1.89 -0.15 0.00 0.00 0.00 0.00 44.72 43.25 1b21 s GLY 65 CO 0.61 -1.86 0.39 1.25 0.00 0.00 0.00 173.10 173.49 1b21 s LYS 66 N -3.71 0.52 -0.07 2.90 2.20 -1.26 -5.09 119.74 115.23 1b21 s LYS 66 Ca 0.34 0.42 -0.36 0.00 -0.36 0.00 0.00 55.97 56.01 1b21 s LYS 66 Cb -0.02 0.25 -0.13 0.00 -1.51 0.00 0.00 37.83 36.42 1b21 s LYS 66 CO 0.19 -0.09 1.75 0.43 -0.36 0.00 0.00 175.35 177.28 1b21 n SER 67 N 2.53 2.99 0.00 1.43 7.64 -1.26 -1.26 113.62 125.69 1b21 n SER 67 Ca -0.15 1.03 0.00 0.00 1.01 0.00 0.00 58.87 60.76 1b21 n SER 67 Cb 0.57 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1b21 n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b21 n GLY 68 N 4.02 0.56 3.91 0.23 0.00 -1.26 -5.02 105.19 107.64 1b21 n GLY 68 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.45 6.43 0.02 1.61 0.15 -0.39 -5.07 113.70 114.01 1b21 s SER 69 Ca 0.00 0.50 0.08 0.00 0.70 0.00 0.00 55.95 57.23 1b21 s SER 69 Cb 0.00 -2.05 -0.02 0.00 -1.71 0.00 0.00 66.02 62.23 1b21 s SER 69 CO 0.00 -0.02 -0.23 0.42 1.20 0.00 0.00 173.24 174.61 1b21 s THR 70 N -1.81 1.82 0.01 6.45 -4.23 -1.26 -4.79 115.64 111.83 1b21 s THR 70 Ca 0.40 -1.17 -0.07 0.00 -1.18 0.00 0.00 61.69 59.67 1b21 s THR 70 Cb -0.11 -1.55 -0.05 0.00 1.34 0.00 0.00 72.50 72.12 1b21 s THR 70 CO 0.28 0.35 0.28 0.26 -0.54 0.00 0.00 174.62 175.24 1b21 s TRP 71 N -0.71 3.58 0.06 3.99 0.52 -1.26 -1.77 118.94 123.35 1b21 s TRP 71 Ca 0.09 0.59 0.02 0.00 0.02 0.00 0.00 56.10 56.82 1b21 s TRP 71 Cb -0.09 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.19 1b21 s TRP 71 CO 0.01 0.61 -0.07 1.03 0.02 0.00 0.00 176.95 178.55 1b21 s ARG 72 N -1.76 0.60 0.24 4.98 0.52 -0.40 -0.08 118.95 123.04 1b21 s ARG 72 Ca 0.28 -0.92 0.07 0.00 -0.52 0.00 0.00 55.73 54.63 1b21 s ARG 72 Cb -0.13 -0.22 -0.05 0.00 0.52 0.00 0.00 34.95 35.07 1b21 s ARG 72 CO 0.16 0.02 -0.08 -1.83 0.02 0.00 0.00 175.30 173.59 1b21 s GLU 73 N -2.27 1.43 -0.04 3.54 -1.05 -0.28 -0.73 118.70 119.30 1b21 s GLU 73 Ca -0.04 -1.69 -0.16 0.00 -0.15 0.00 0.00 54.97 52.93 1b21 s GLU 73 Cb -0.05 -1.06 0.03 0.00 -0.44 0.00 0.00 34.13 32.61 1b21 s GLU 73 CO -0.02 0.07 0.36 0.00 0.95 0.00 0.00 175.26 176.63 1b21 s ALA 74 N -3.06 -0.91 0.23 -0.84 0.00 -0.42 -0.36 121.76 116.41 1b21 s ALA 74 Ca 0.26 0.58 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 1b21 s ALA 74 Cb 0.02 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.98 1b21 s ALA 74 CO 0.09 -0.25 0.90 -0.51 0.00 0.00 0.00 175.76 175.98 1b21 s ASP 75 N -1.00 7.55 0.04 0.00 1.11 0.36 -0.41 116.67 124.32 1b21 s ASP 75 Ca -0.11 1.86 0.09 0.00 0.18 0.00 0.00 52.55 54.57 1b21 s ASP 75 Cb -0.04 -2.58 -0.03 0.00 1.07 0.00 0.00 42.92 41.34 1b21 s ASP 75 CO 0.04 0.15 -0.25 -0.63 1.18 0.00 0.00 175.17 175.66 1b21 s ILE 76 N -1.21 2.20 -0.66 0.77 -1.09 -0.86 -4.75 121.20 115.61 1b21 s ILE 76 Ca 0.40 -1.34 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1b21 s ILE 76 Cb -0.25 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.78 1b21 s ILE 76 CO 0.30 0.39 0.00 0.59 -1.23 0.00 0.00 174.94 174.99 1b21 n ASN 77 N 1.83 -4.63 -4.77 3.58 3.02 -0.26 -4.51 115.26 109.51 1b21 n ASN 77 Ca -0.17 0.15 -0.39 0.00 -0.03 0.00 0.00 54.58 54.14 1b21 n ASN 77 Cb 0.52 -2.68 -0.06 0.00 -0.61 0.00 0.00 39.78 36.95 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 -1.93 3.86 0.10 3.10 5.04 -1.26 -4.96 117.35 121.29 1b21 s TYR 78 Ca 0.00 1.56 0.00 0.00 -2.44 0.00 0.00 57.07 56.19 1b21 s TYR 78 Cb 0.00 -2.76 0.00 0.00 0.35 0.00 0.00 41.96 39.55 1b21 s TYR 78 CO 0.00 0.46 0.00 2.41 -1.34 0.00 0.00 175.55 177.08 1b21 n THR 79 N 1.92 0.80 -3.87 4.34 -1.04 -1.26 -4.93 114.28 110.24 1b21 n THR 79 Ca -0.05 0.27 -0.08 0.00 -2.04 0.00 0.00 64.05 62.14 1b21 n THR 79 Cb 0.49 -1.40 -0.01 0.00 -1.82 0.00 0.00 70.33 67.59 1b21 n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1b21 s SER 80 N -5.65 -0.09 0.00 8.00 1.04 -1.26 -4.67 113.70 111.07 1b21 s SER 80 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1b21 s SER 80 Cb 0.00 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.87 1b21 s SER 80 CO 0.00 -1.43 0.00 0.61 0.98 0.00 0.00 173.24 173.40 1b21 n GLY 81 N -0.48 -1.66 3.73 7.32 0.00 -1.26 -4.86 105.19 107.98 1b21 n GLY 81 Ca -0.05 -1.44 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 2.20 0.48 1.61 0.40 -1.26 -4.53 117.98 116.89 1b21 s PHE 82 Ca 0.00 1.65 -0.23 0.00 -0.60 0.00 0.00 56.93 57.75 1b21 s PHE 82 Cb 0.00 -3.18 -0.07 0.00 0.51 0.00 0.00 43.02 40.28 1b21 s PHE 82 CO 0.00 -2.20 1.24 1.03 0.70 0.00 0.00 175.22 175.99 1b21 s ARG 83 N -4.74 3.58 0.00 0.44 0.52 -1.26 -5.01 118.95 112.48 1b21 s ARG 83 Ca 0.64 1.97 0.00 0.00 -0.52 0.00 0.00 55.73 57.82 1b21 s ARG 83 Cb -0.20 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 32.87 1b21 s ARG 83 CO 0.56 -0.75 0.00 0.27 0.02 0.00 0.00 175.30 175.40 1b21 n ASN 84 N -0.59 0.00 -1.19 0.23 0.23 -1.26 -5.00 115.26 107.68 1b21 n ASN 84 Ca 0.08 -0.62 0.12 0.00 -0.53 0.00 0.00 54.58 53.63 1b21 n ASN 84 Cb 0.47 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.39 1b21 n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1b21 n SER 85 N -1.86 3.55 -4.68 0.53 7.64 -1.26 -4.93 113.62 112.60 1b21 n SER 85 Ca 0.00 -2.00 -0.39 0.00 1.01 0.00 0.00 58.87 57.49 1b21 n SER 85 Cb 0.00 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 1b21 n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1b21 s ASP 86 N -1.43 6.66 -0.01 6.43 1.01 -1.26 -1.87 116.67 126.21 1b21 s ASP 86 Ca 0.40 0.80 -0.06 0.00 0.71 0.00 0.00 52.55 54.40 1b21 s ASP 86 Cb 0.23 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1b21 s ASP 86 CO 0.32 -0.14 0.11 -0.13 0.21 0.00 0.00 175.17 175.54 1b21 s ARG 87 N 1.34 0.38 -0.15 8.23 1.81 0.72 -2.02 118.95 129.25 1b21 s ARG 87 Ca 0.27 -0.31 -0.04 0.00 -1.72 0.00 0.00 55.73 53.93 1b21 s ARG 87 Cb -0.16 0.16 -0.03 0.00 -0.45 0.00 0.00 34.95 34.47 1b21 s ARG 87 CO 0.11 -0.08 -0.02 -1.50 -0.68 0.00 0.00 175.30 173.12 1b21 s ILE 88 N -1.08 4.06 -0.10 1.52 2.07 0.45 -0.92 121.20 127.20 1b21 s ILE 88 Ca -0.12 -0.30 0.01 0.00 -1.41 0.00 0.00 60.65 58.83 1b21 s ILE 88 Cb -0.07 -2.78 -0.02 0.00 0.13 0.00 0.00 42.46 39.72 1b21 s ILE 88 CO 0.01 0.50 -0.11 -0.76 -1.91 0.00 0.00 174.94 172.67 1b21 s LEU 89 N 0.25 2.87 -0.05 8.50 2.01 0.89 -1.30 118.68 131.85 1b21 s LEU 89 Ca -0.02 -0.21 -0.02 0.00 0.01 0.00 0.00 54.13 53.89 1b21 s LEU 89 Cb -0.14 -1.63 0.03 0.00 0.01 0.00 0.00 46.19 44.47 1b21 s LEU 89 CO 0.02 0.25 0.11 -0.72 1.01 0.00 0.00 176.35 177.02 1b21 s TYR 90 N -0.13 -0.10 0.84 0.29 1.13 0.09 -0.63 117.35 118.82 1b21 s TYR 90 Ca -0.00 0.36 -0.12 0.00 -1.41 0.00 0.00 57.07 55.91 1b21 s TYR 90 Cb -0.13 -0.12 0.12 0.00 -1.10 0.00 0.00 41.96 40.72 1b21 s TYR 90 CO 0.03 -0.14 1.19 -1.54 -2.51 0.00 0.00 175.55 172.58 1b21 s SER 91 N 1.08 4.07 0.40 -0.18 1.04 -0.67 -1.28 113.70 118.16 1b21 s SER 91 Ca -0.09 0.46 0.08 0.00 0.48 0.00 0.00 55.95 56.89 1b21 s SER 91 Cb -0.11 -0.82 0.85 0.00 0.10 0.00 0.00 66.02 66.04 1b21 s SER 91 CO -0.05 -2.14 2.00 0.28 0.98 0.00 0.00 173.24 174.31 1b21 h SER 92 N -1.14 0.53 -0.09 7.02 0.02 -1.70 -0.89 113.55 117.30 1b21 h SER 92 Ca -0.44 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1b21 h SER 92 Cb 1.29 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1b21 h SER 92 CO 0.53 0.35 0.00 -0.46 -1.14 0.00 0.00 176.83 176.12 1b21 n ASN 93 N -4.47 0.97 -1.41 3.07 2.04 -1.26 -4.92 115.26 109.28 1b21 n ASN 93 Ca 0.08 -1.57 -0.13 0.00 -0.44 0.00 0.00 54.58 52.51 1b21 n ASN 93 Cb 0.21 -0.06 -0.02 0.00 -2.53 0.00 0.00 39.78 37.38 1b21 n ASN 93 CO 0.00 0.00 0.00 0.79 -0.44 0.00 0.00 177.26 177.61 1b21 n TRP 94 N -0.14 -0.49 -2.44 -2.53 7.02 -0.34 -5.01 117.44 113.51 1b21 n TRP 94 Ca 0.16 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.22 1b21 n TRP 94 Cb 0.22 -2.79 -0.03 0.00 -2.42 0.00 0.00 31.31 26.29 1b21 n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1b21 s LEU 95 N -3.66 4.44 -0.09 -0.99 1.43 -1.26 -4.81 118.68 113.75 1b21 s LEU 95 Ca 0.00 2.12 0.04 0.00 -1.03 0.00 0.00 54.13 55.26 1b21 s LEU 95 Cb 0.00 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1b21 s LEU 95 CO 0.00 -0.34 -0.22 -0.63 0.23 0.00 0.00 176.35 175.39 1b21 s ILE 96 N 0.18 1.87 0.13 -0.59 -1.09 -0.87 -1.67 121.20 119.16 1b21 s ILE 96 Ca 0.53 -0.92 0.04 0.00 -2.23 0.00 0.00 60.65 58.08 1b21 s ILE 96 Cb -0.31 -1.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.91 1b21 s ILE 96 CO 0.34 0.52 -0.10 -0.31 -1.23 0.00 0.00 174.94 174.16 1b21 s TYR 97 N 0.31 1.21 0.22 3.97 1.51 0.20 -0.64 117.35 124.14 1b21 s TYR 97 Ca -0.15 -0.74 0.07 0.00 -1.01 0.00 0.00 57.07 55.25 1b21 s TYR 97 Cb -0.17 -0.63 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1b21 s TYR 97 CO 0.07 0.06 -0.12 -1.59 -1.11 0.00 0.00 175.55 172.85 1b21 s LYS 98 N -3.50 1.39 -0.09 -0.62 -2.85 0.80 -0.08 119.74 114.79 1b21 s LYS 98 Ca 0.14 -1.64 -0.06 0.00 -1.00 0.00 0.00 55.97 53.41 1b21 s LYS 98 Cb 0.01 -1.13 0.03 0.00 -2.06 0.00 0.00 37.83 34.69 1b21 s LYS 98 CO 0.00 0.15 0.22 -0.08 0.10 0.00 0.00 175.35 175.74 1b21 s THR 99 N -2.98 -0.02 -0.09 3.79 -1.32 -0.10 -1.05 115.64 113.86 1b21 s THR 99 Ca 0.24 0.08 0.13 0.00 -1.21 0.00 0.00 61.69 60.93 1b21 s THR 99 Cb 0.00 -0.33 0.20 0.00 -1.51 0.00 0.00 72.50 70.86 1b21 s THR 99 CO 0.08 0.03 1.10 0.35 -2.21 0.00 0.00 174.62 173.98 1b21 n THR 100 N 3.62 1.60 -2.77 5.08 -2.24 -1.26 -0.20 114.28 118.11 1b21 n THR 100 Ca -0.19 -1.84 -0.03 0.00 -2.27 0.00 0.00 64.05 59.72 1b21 n THR 100 Cb 0.55 0.01 0.06 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.11 1.08 -3.46 3.42 5.68 -1.12 -4.59 116.55 116.45 1b21 n ASP 101 Ca 0.11 -2.23 -0.21 0.00 -0.50 0.00 0.00 54.79 51.96 1b21 n ASP 101 Cb 0.51 -0.31 0.04 0.00 -1.14 0.00 0.00 41.12 40.23 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 -0.57 -2.27 -2.09 2.11 8.25 -0.78 -2.99 115.22 116.88 1b21 n HIS 102 Ca 0.04 0.72 -0.18 0.00 -0.26 0.00 0.00 57.72 58.04 1b21 n HIS 102 Cb 0.82 -3.70 -0.03 0.00 1.12 0.00 0.00 29.99 28.19 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 -3.35 -0.76 -0.04 4.41 4.01 -1.26 -4.88 117.16 115.28 1b21 n TYR 103 Ca -0.09 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.44 1b21 n TYR 103 Cb 0.59 -3.45 -0.13 0.00 -0.31 0.00 0.00 39.34 36.04 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 0.14 -5.35 -0.72 4.20 -1.95 -3.47 115.11 107.97 1b21 h GLN 104 Ca -0.41 -0.25 -0.41 0.00 0.06 0.00 0.00 58.65 57.64 1b21 h GLN 104 Cb 1.27 0.09 -0.20 0.00 0.30 0.00 0.00 27.48 28.94 1b21 h GLN 104 CO 0.53 1.12 -0.77 0.95 -0.67 0.00 0.00 178.83 179.98 1b21 s THR 105 N -2.45 1.17 0.10 -0.54 -4.23 -1.26 -5.10 115.64 103.33 1b21 s THR 105 Ca -0.25 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 58.87 1b21 s THR 105 Cb 0.06 -1.25 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 1b21 s THR 105 CO 0.69 -0.31 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.93 1b21 s PHE 106 N -1.64 1.51 -0.07 3.99 0.08 -1.26 -4.45 117.98 116.15 1b21 s PHE 106 Ca 0.02 -0.47 -0.00 0.00 0.12 0.00 0.00 56.93 56.60 1b21 s PHE 106 Cb -0.08 -0.82 0.02 0.00 -0.57 0.00 0.00 43.02 41.58 1b21 s PHE 106 CO 0.02 0.15 -0.03 0.99 -0.10 0.00 0.00 175.22 176.26 1b21 s THR 107 N -1.49 0.54 0.22 0.64 2.01 -0.21 -4.94 115.64 112.40 1b21 s THR 107 Ca 0.05 -0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.70 1b21 s THR 107 Cb -0.09 -0.62 -0.10 0.00 0.01 0.00 0.00 72.50 71.71 1b21 s THR 107 CO 0.03 0.26 1.47 -0.75 -0.69 0.00 0.00 174.62 174.94 1b21 s LYS 108 N 1.48 4.26 0.00 4.92 2.20 -1.26 -0.14 119.74 131.20 1b21 s LYS 108 Ca -0.02 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 1b21 s LYS 108 Cb -0.13 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1b21 s LYS 108 CO -0.03 -0.47 0.00 0.44 -0.36 0.00 0.00 175.35 174.93 1b21 n ILE 109 N 2.88 0.00 -1.44 5.43 -5.35 0.19 -4.88 119.36 116.19 1b21 n ILE 109 Ca 0.09 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1b21 n ILE 109 Cb 0.40 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1b21 n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33