#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rnb s VAL 3 N 0.00 2.99 -0.36 5.09 1.01 -1.26 -4.56 120.40 123.32 1rnb s VAL 3 Ca 0.00 -1.25 -0.06 0.00 0.00 0.00 0.00 61.98 60.66 1rnb s VAL 3 Cb 0.00 -2.65 0.05 0.00 0.00 0.00 0.00 36.38 33.78 1rnb s VAL 3 CO 0.00 -0.01 0.13 -0.63 0.00 0.00 0.00 175.10 174.59 1rnb s ILE 4 N 1.28 3.75 0.00 2.22 1.01 -1.26 -4.91 121.20 123.29 1rnb s ILE 4 Ca -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 60.65 59.36 1rnb s ILE 4 Cb -0.19 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.15 1rnb s ILE 4 CO -0.02 -0.28 0.95 -0.46 0.00 0.00 0.00 174.94 175.13 1rnb n ASN 5 N 4.79 0.12 -4.86 3.58 6.94 -1.26 -4.78 115.26 119.79 1rnb n ASN 5 Ca -0.11 -1.84 -0.21 0.00 -0.02 0.00 0.00 54.58 52.40 1rnb n ASN 5 Cb 0.44 -0.16 -0.04 0.00 -2.36 0.00 0.00 39.78 37.66 1rnb n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1rnb s THR 6 N 0.00 3.99 0.23 5.53 -4.23 -1.26 -0.10 115.64 119.80 1rnb s THR 6 Ca 0.05 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.18 1rnb s THR 6 Cb 0.06 -3.31 0.14 0.00 1.34 0.00 0.00 72.50 70.73 1rnb s THR 6 CO -0.03 -0.24 1.77 -0.26 -0.54 0.00 0.00 174.62 175.33 1rnb h PHE 7 N 1.30 1.08 -0.00 3.99 0.04 -1.98 -1.35 116.94 120.01 1rnb h PHE 7 Ca -0.46 -0.11 -0.23 0.00 2.80 0.00 0.00 57.97 59.97 1rnb h PHE 7 Cb 1.25 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1rnb h PHE 7 CO 0.53 0.86 -0.95 -0.44 -0.60 0.00 0.00 178.31 177.71 1rnb h ASP 8 N 1.00 0.58 -0.64 2.17 3.32 -1.99 -2.35 116.42 118.51 1rnb h ASP 8 Ca 0.22 -0.47 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 1rnb h ASP 8 Cb 0.30 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1rnb h ASP 8 CO -0.01 1.27 0.11 1.23 -1.72 0.00 0.00 179.24 180.12 1rnb h GLY 9 N 1.13 1.14 0.66 2.75 0.00 -1.94 -0.77 103.07 106.04 1rnb h GLY 9 Ca -0.09 -0.75 -0.13 0.00 0.00 0.00 0.00 47.33 46.36 1rnb h GLY 9 CO 0.17 0.70 -0.52 -2.08 0.00 0.00 0.00 176.54 174.81 1rnb h VAL 10 N 0.97 1.48 -0.49 4.60 2.07 -1.34 -1.83 116.25 121.72 1rnb h VAL 10 Ca 0.20 -2.11 0.10 0.00 0.82 0.00 0.00 66.70 65.70 1rnb h VAL 10 Cb 0.42 2.75 -0.10 0.00 -1.52 0.00 0.00 31.29 32.85 1rnb h VAL 10 CO 0.01 0.60 -0.16 0.00 0.02 0.00 0.00 177.57 178.04 1rnb h ALA 11 N 0.26 0.25 -0.18 1.67 0.00 -1.36 -0.28 119.26 119.62 1rnb h ALA 11 Ca -0.07 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1rnb h ALA 11 Cb 1.27 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 1rnb h ALA 11 CO 0.10 -0.49 -0.21 0.22 0.00 0.00 0.00 179.25 178.88 1rnb h ASP 12 N -0.05 -0.70 -0.46 0.00 3.58 -1.13 0.11 116.42 117.77 1rnb h ASP 12 Ca 0.23 0.09 0.08 0.00 0.42 0.00 0.00 57.03 57.86 1rnb h ASP 12 Cb 0.40 0.29 -0.07 0.00 1.72 0.00 0.00 39.33 41.68 1rnb h ASP 12 CO -0.52 -0.14 0.07 0.22 -2.88 0.00 0.00 179.24 175.99 1rnb h TYR 13 N -0.13 0.11 0.26 0.28 5.03 -0.99 -1.25 116.97 120.29 1rnb h TYR 13 Ca 0.03 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.36 1rnb h TYR 13 Cb 0.21 0.02 0.00 0.00 1.55 0.00 0.00 36.73 38.51 1rnb h TYR 13 CO -0.69 -0.02 -0.12 -0.07 -1.32 0.00 0.00 178.16 175.94 1rnb h LEU 14 N 0.20 -0.29 -0.64 2.82 3.38 -0.83 0.66 115.31 120.60 1rnb h LEU 14 Ca 0.23 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1rnb h LEU 14 Cb 0.30 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1rnb h LEU 14 CO -0.32 -0.19 0.35 -0.61 0.09 0.00 0.00 178.44 177.76 1rnb h GLN 15 N -0.37 0.62 0.04 1.13 4.15 -0.76 0.52 115.11 120.44 1rnb h GLN 15 Ca -0.04 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 1rnb h GLN 15 Cb 0.28 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 27.84 1rnb h GLN 15 CO 0.06 0.41 -0.37 1.15 -1.93 0.00 0.00 178.83 178.15 1rnb h THR 16 N 0.64 1.58 -0.00 2.39 2.02 -1.00 -3.38 112.91 115.16 1rnb h THR 16 Ca 0.29 -2.21 0.00 0.00 0.77 0.00 0.00 66.41 65.26 1rnb h THR 16 Cb 0.19 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1rnb h THR 16 CO -0.19 0.61 -0.97 -1.22 0.37 0.00 0.00 175.52 174.12 1rnb n TYR 17 N -4.40 0.00 -3.88 3.16 4.01 0.23 -5.01 117.16 111.26 1rnb n TYR 17 Ca -0.11 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.34 1rnb n TYR 17 Cb 0.60 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.65 1rnb n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1rnb n HIS 18 N -1.46 -2.32 -3.55 -0.72 8.25 0.18 -4.95 115.22 110.66 1rnb n HIS 18 Ca 0.04 0.91 -0.08 0.00 -0.26 0.00 0.00 57.72 58.33 1rnb n HIS 18 Cb 0.33 -4.07 -0.02 0.00 1.12 0.00 0.00 29.99 27.35 1rnb n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1rnb s LYS 19 N -6.56 0.99 0.40 -0.41 -2.85 -1.26 -5.07 119.74 104.98 1rnb s LYS 19 Ca 0.62 -0.42 -0.16 0.00 -1.00 0.00 0.00 55.97 55.01 1rnb s LYS 19 Cb -0.31 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 35.80 1rnb s LYS 19 CO 0.82 -0.44 0.85 -0.51 0.10 0.00 0.00 175.35 176.17 1rnb s LEU 20 N -2.62 3.92 0.96 2.77 1.43 -1.26 -4.06 118.68 119.82 1rnb s LEU 20 Ca 0.06 1.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.48 1rnb s LEU 20 Cb -0.01 -4.29 0.14 0.00 0.03 0.00 0.00 46.19 42.06 1rnb s LEU 20 CO -0.07 -0.34 0.91 -2.65 0.23 0.00 0.00 176.35 174.42 1rnb n PRO 21 N -0.78 -0.69 0.17 1.29 -0.02 -1.26 -4.88 135.00 128.83 1rnb n PRO 21 Ca 0.05 -0.15 0.10 0.00 -2.02 0.00 0.00 63.50 61.48 1rnb n PRO 21 Cb 0.54 -2.20 0.52 0.00 -0.02 0.00 0.00 33.50 32.33 1rnb n PRO 21 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1rnb h ASN 22 N -1.92 0.00 -0.44 2.55 4.21 -1.95 -2.99 115.58 115.04 1rnb h ASN 22 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 1rnb h ASN 22 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1rnb h ASN 22 CO 0.40 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.64 1rnb n ASP 23 N -2.21 3.59 -4.66 5.81 5.75 -1.26 -4.92 116.55 118.66 1rnb n ASP 23 Ca -0.01 -2.37 -0.35 0.00 -0.01 0.00 0.00 54.79 52.05 1rnb n ASP 23 Cb 0.16 -0.51 -0.10 0.00 -1.03 0.00 0.00 41.12 39.64 1rnb n ASP 23 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1rnb s TYR 24 N -1.83 3.12 0.05 2.11 2.02 -1.13 -1.18 117.35 120.49 1rnb s TYR 24 Ca 0.36 0.14 -0.00 0.00 -0.37 0.00 0.00 57.07 57.20 1rnb s TYR 24 Cb 0.24 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 1rnb s TYR 24 CO 0.16 0.42 -0.04 0.96 -1.57 0.00 0.00 175.55 175.49 1rnb s ILE 25 N -0.82 0.27 0.71 2.71 -4.36 0.21 -4.89 121.20 115.04 1rnb s ILE 25 Ca 0.12 -1.45 -0.11 0.00 -0.26 0.00 0.00 60.65 58.95 1rnb s ILE 25 Cb -0.11 -1.03 0.02 0.00 1.25 0.00 0.00 42.46 42.58 1rnb s ILE 25 CO 0.02 -0.76 1.10 0.42 0.24 0.00 0.00 174.94 175.96 1rnb s THR 26 N -2.82 3.48 0.30 8.37 -4.23 -1.21 -0.81 115.64 118.74 1rnb s THR 26 Ca -0.02 0.48 0.05 0.00 -1.18 0.00 0.00 61.69 61.03 1rnb s THR 26 Cb -0.00 -3.45 0.30 0.00 1.34 0.00 0.00 72.50 70.69 1rnb s THR 26 CO -0.05 -0.63 1.80 0.11 -0.54 0.00 0.00 174.62 175.31 1rnb h LYS 27 N -0.69 0.79 0.00 3.99 1.57 -1.96 -0.71 116.57 119.56 1rnb h LYS 27 Ca -0.45 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1rnb h LYS 27 Cb 1.25 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1rnb h LYS 27 CO 0.63 0.52 -0.05 1.03 -0.57 0.00 0.00 179.45 181.01 1rnb h SER 28 N 0.81 -0.14 -0.18 0.86 0.87 -1.99 0.46 113.55 114.24 1rnb h SER 28 Ca 0.55 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.12 1rnb h SER 28 Cb 0.80 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1rnb h SER 28 CO -0.34 -0.08 0.06 -0.33 -0.53 0.00 0.00 176.83 175.62 1rnb h GLU 29 N -0.09 0.27 -0.37 2.24 5.08 -1.85 -0.27 114.58 119.59 1rnb h GLU 29 Ca 0.02 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 1rnb h GLU 29 Cb 0.12 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1rnb h GLU 29 CO -0.05 0.36 0.09 0.00 -1.00 0.00 0.00 179.01 178.41 1rnb h ALA 30 N 0.90 0.41 -0.91 3.43 0.00 -0.81 -0.84 119.26 121.43 1rnb h ALA 30 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1rnb h ALA 30 Cb 0.20 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1rnb h ALA 30 CO -0.00 -0.31 0.59 1.96 0.00 0.00 0.00 179.25 181.48 1rnb h GLN 31 N 0.22 1.21 -0.73 0.00 4.20 0.16 -0.99 115.11 119.18 1rnb h GLN 31 Ca 0.18 -0.08 0.11 0.00 0.06 0.00 0.00 58.65 58.91 1rnb h GLN 31 Cb 0.19 -0.27 -0.05 0.00 0.30 0.00 0.00 27.48 27.66 1rnb h GLN 31 CO -0.22 0.81 0.48 0.00 -0.67 0.00 0.00 178.83 179.24 1rnb h ALA 32 N 1.32 1.91 -0.00 3.87 0.00 0.18 -0.15 119.26 126.40 1rnb h ALA 32 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1rnb h ALA 32 Cb -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1rnb h ALA 32 CO -0.07 -0.07 -0.03 1.28 0.00 0.00 0.00 179.25 180.36 1rnb n LEU 33 N -4.49 0.10 0.00 0.00 4.32 -0.44 -4.92 117.00 111.57 1rnb n LEU 33 Ca 0.13 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.34 1rnb n LEU 33 Cb 0.38 -0.27 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1rnb n LEU 33 CO 0.33 0.02 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 1rnb n GLY 34 N 1.29 0.85 3.76 -0.72 0.00 -0.07 -4.80 105.19 105.50 1rnb n GLY 34 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1rnb n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1rnb s TRP 35 N -2.00 3.03 -0.34 1.61 -0.00 -0.83 -4.95 118.94 115.46 1rnb s TRP 35 Ca 0.00 1.25 0.00 0.00 -0.00 0.00 0.00 56.10 57.36 1rnb s TRP 35 Cb 0.00 -3.74 0.11 0.00 -0.00 0.00 0.00 33.47 29.84 1rnb s TRP 35 CO 0.00 -2.19 0.12 0.08 -0.00 0.00 0.00 176.95 174.96 1rnb s VAL 36 N -0.64 1.16 0.30 5.86 1.01 -1.26 -4.58 120.40 122.25 1rnb s VAL 36 Ca 0.53 -1.74 0.03 0.00 0.00 0.00 0.00 61.98 60.80 1rnb s VAL 36 Cb -0.40 -1.86 0.41 0.00 0.00 0.00 0.00 36.38 34.53 1rnb s VAL 36 CO 0.49 -0.71 1.53 0.00 0.00 0.00 0.00 175.10 176.41 1rnb n ALA 37 N 4.53 0.51 0.36 5.51 0.00 -1.26 0.24 120.51 130.41 1rnb n ALA 37 Ca 0.01 1.04 0.13 0.00 0.00 0.00 0.00 53.44 54.62 1rnb n ALA 37 Cb 0.41 -0.77 0.55 0.00 0.00 0.00 0.00 19.45 19.63 1rnb n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rnb h SER 38 N 0.00 0.00 0.87 0.00 4.64 -2.02 -1.71 113.55 115.33 1rnb h SER 38 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1rnb h SER 38 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1rnb h SER 38 CO -0.91 0.00 -0.78 0.07 -0.87 0.00 0.00 176.83 174.34 1rnb h LYS 39 N 0.00 0.00 -1.34 4.77 -0.00 0.28 -3.48 116.57 116.80 1rnb h LYS 39 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 60.65 60.45 1rnb h LYS 39 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.59 1rnb h LYS 39 CO 0.00 0.00 -0.25 0.41 -0.00 0.00 0.00 179.45 179.61 1rnb n GLY 40 N 1.29 0.04 1.89 0.07 0.00 -0.64 -4.94 105.19 102.90 1rnb n GLY 40 Ca 0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1rnb n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rnb n ASN 41 N 0.14 3.62 -0.11 1.61 6.94 -1.26 -4.06 115.26 122.14 1rnb n ASN 41 Ca -0.12 -3.57 -0.08 0.00 -0.02 0.00 0.00 54.58 50.80 1rnb n ASN 41 Cb 0.57 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.23 1rnb n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1rnb h LEU 42 N 1.30 0.34 -2.50 -4.53 5.85 -1.90 -1.47 115.31 112.41 1rnb h LEU 42 Ca 0.46 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.17 1rnb h LEU 42 Cb 2.45 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 43.41 1rnb h LEU 42 CO 0.84 0.25 -0.02 0.00 -0.34 0.00 0.00 178.44 179.17 1rnb h ALA 43 N 1.16 1.15 0.00 1.25 0.00 -1.84 0.26 119.26 121.24 1rnb h ALA 43 Ca 0.14 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 1rnb h ALA 43 Cb 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1rnb h ALA 43 CO -0.07 0.03 -1.17 -0.44 0.00 0.00 0.00 179.25 177.59 1rnb h ASP 44 N 0.00 0.00 0.20 0.00 5.19 -1.62 -3.08 116.42 117.11 1rnb h ASP 44 Ca -0.00 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.36 1rnb h ASP 44 Cb 0.13 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1rnb h ASP 44 CO 0.00 0.81 -1.85 1.33 -3.12 0.00 0.00 179.24 176.41 1rnb n VAL 45 N -3.15 0.34 -3.17 -1.35 0.24 -0.89 -4.69 118.33 105.66 1rnb n VAL 45 Ca -0.06 -0.56 -0.21 0.00 -2.04 0.00 0.00 64.34 61.47 1rnb n VAL 45 Cb 0.91 -0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.06 1rnb n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rnb n ALA 46 N -2.31 1.58 -1.90 2.33 0.00 0.85 -4.93 120.51 116.14 1rnb n ALA 46 Ca -0.07 -2.70 -0.42 0.00 0.00 0.00 0.00 53.44 50.25 1rnb n ALA 46 Cb 0.65 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1rnb n ALA 46 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rnb s PRO 47 N -0.11 4.24 0.00 0.00 0.04 -1.16 -2.09 135.00 135.92 1rnb s PRO 47 Ca 0.33 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1rnb s PRO 47 Cb 0.09 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.51 1rnb s PRO 47 CO -0.16 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1rnb n GLY 48 N 2.78 1.99 3.93 0.56 0.00 -1.26 -5.04 105.19 108.15 1rnb n GLY 48 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 1rnb n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rnb s LYS 49 N -0.34 3.49 0.13 1.61 -0.14 -0.89 -4.81 119.74 118.78 1rnb s LYS 49 Ca 0.00 -0.43 0.07 0.00 -1.36 0.00 0.00 55.97 54.25 1rnb s LYS 49 Cb 0.00 -2.91 -0.04 0.00 -1.68 0.00 0.00 37.83 33.20 1rnb s LYS 49 CO 0.00 0.48 -0.16 -1.12 -0.76 0.00 0.00 175.35 173.79 1rnb s SER 50 N -3.05 2.22 0.16 2.83 0.01 -0.33 -4.83 113.70 110.71 1rnb s SER 50 Ca 0.37 -0.80 -0.30 0.00 1.31 0.00 0.00 55.95 56.53 1rnb s SER 50 Cb -0.11 -0.10 -0.07 0.00 0.21 0.00 0.00 66.02 65.95 1rnb s SER 50 CO 0.28 -0.09 1.08 -0.63 0.41 0.00 0.00 173.24 174.29 1rnb s ILE 51 N -1.96 3.98 -0.22 1.44 -1.09 -1.26 -0.62 121.20 121.48 1rnb s ILE 51 Ca 0.10 1.69 -0.34 0.00 -2.23 0.00 0.00 60.65 59.87 1rnb s ILE 51 Cb -0.06 -4.08 0.15 0.00 -1.58 0.00 0.00 42.46 36.89 1rnb s ILE 51 CO 0.04 0.28 1.24 -0.83 -1.23 0.00 0.00 174.94 174.44 1rnb s GLY 52 N -0.06 -0.20 0.00 6.18 0.00 0.01 -1.38 107.32 111.87 1rnb s GLY 52 Ca 0.49 1.93 0.00 0.00 0.00 0.00 0.00 44.72 47.14 1rnb s GLY 52 CO 0.34 0.71 0.00 0.61 0.00 0.00 0.00 173.10 174.76 1rnb n GLY 53 N 0.12 0.73 3.84 0.20 0.00 0.23 -3.29 105.19 107.01 1rnb n GLY 53 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1rnb n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1rnb s ASP 54 N -1.96 6.69 0.33 1.61 1.01 -1.24 -4.81 116.67 118.30 1rnb s ASP 54 Ca 0.00 1.60 -0.29 0.00 0.71 0.00 0.00 52.55 54.57 1rnb s ASP 54 Cb 0.00 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.31 1rnb s ASP 54 CO 0.00 -0.54 1.42 -0.63 0.21 0.00 0.00 175.17 175.63 1rnb s ILE 55 N -2.52 2.40 -0.20 0.77 1.09 -1.26 -1.87 121.20 119.62 1rnb s ILE 55 Ca 0.60 0.39 -0.02 0.00 -1.10 0.00 0.00 60.65 60.51 1rnb s ILE 55 Cb -0.10 -3.25 -0.00 0.00 -1.06 0.00 0.00 42.46 38.05 1rnb s ILE 55 CO 0.27 0.09 -0.09 0.12 -0.10 0.00 0.00 174.94 175.23 1rnb s PHE 56 N -0.89 2.90 0.08 3.97 5.36 -0.06 -4.80 117.98 124.53 1rnb s PHE 56 Ca 0.53 -1.02 -0.07 0.00 -0.96 0.00 0.00 56.93 55.40 1rnb s PHE 56 Cb -0.43 -2.02 -0.26 0.00 -0.34 0.00 0.00 43.02 39.97 1rnb s PHE 56 CO 0.55 -0.54 1.15 0.66 -1.46 0.00 0.00 175.22 175.58 1rnb h SER 57 N 7.83 0.56 -5.76 6.13 4.64 -1.95 -3.35 113.55 121.66 1rnb h SER 57 Ca -0.40 -0.56 -0.36 0.00 -0.47 0.00 0.00 61.79 60.01 1rnb h SER 57 Cb 1.17 -0.18 0.14 0.00 -0.31 0.00 0.00 62.40 63.22 1rnb h SER 57 CO 0.60 1.41 -0.77 -3.20 -0.87 0.00 0.00 176.83 174.01 1rnb n ASN 58 N -3.63 -2.48 -0.74 4.97 5.15 -1.26 -4.83 115.26 112.44 1rnb n ASN 58 Ca -0.10 -0.65 0.13 0.00 -0.60 0.00 0.00 54.58 53.36 1rnb n ASN 58 Cb 1.00 -4.92 0.31 0.00 -0.53 0.00 0.00 39.78 35.63 1rnb n ASN 58 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1rnb n ARG 59 N -4.27 2.01 0.00 1.20 3.00 -1.26 -3.73 116.66 113.62 1rnb n ARG 59 Ca -0.25 -1.48 0.13 0.00 -0.00 0.00 0.00 57.85 56.26 1rnb n ARG 59 Cb 0.65 -1.47 0.34 0.00 0.00 0.00 0.00 32.46 31.98 1rnb n ARG 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1rnb n GLU 60 N 0.78 1.59 -4.07 -0.14 1.02 -1.26 -5.01 120.64 113.56 1rnb n GLU 60 Ca 0.17 -1.09 -0.27 0.00 -0.02 0.00 0.00 57.16 55.94 1rnb n GLU 60 Cb 0.48 -1.48 -0.05 0.00 -0.02 0.00 0.00 31.44 30.38 1rnb n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rnb n GLY 61 N 1.28 -0.19 0.16 0.62 0.00 -1.24 -4.89 105.19 100.92 1rnb n GLY 61 Ca 0.15 0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.38 1rnb n GLY 61 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1rnb h LYS 62 N -1.82 0.00 -6.37 1.61 2.10 -1.95 -3.44 116.57 106.70 1rnb h LYS 62 Ca -0.64 0.00 -0.68 0.00 -2.00 0.00 0.00 60.65 57.33 1rnb h LYS 62 Cb 1.38 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.52 1rnb h LYS 62 CO 0.65 0.39 -0.74 -0.51 -2.00 0.00 0.00 179.45 177.24 1rnb s LEU 63 N -6.44 2.95 0.29 7.07 1.43 -1.26 -4.91 118.68 117.81 1rnb s LEU 63 Ca 0.04 -0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1rnb s LEU 63 Cb 0.07 -1.69 -0.12 0.00 0.03 0.00 0.00 46.19 44.48 1rnb s LEU 63 CO 0.72 0.29 1.56 -2.65 0.23 0.00 0.00 176.35 176.51 1rnb n PRO 64 N 1.68 2.61 -4.20 1.29 -0.02 -1.26 -4.99 135.00 130.10 1rnb n PRO 64 Ca -0.16 0.93 -0.24 0.00 -2.02 0.00 0.00 63.50 62.01 1rnb n PRO 64 Cb 0.52 -2.69 -0.06 0.00 -0.02 0.00 0.00 33.50 31.25 1rnb n PRO 64 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1rnb s GLY 65 N 0.44 1.60 -0.11 -1.23 0.00 -1.26 -5.12 107.32 101.64 1rnb s GLY 65 Ca 0.64 -1.47 -0.16 0.00 0.00 0.00 0.00 44.72 43.73 1rnb s GLY 65 CO 0.49 -1.52 0.40 0.54 0.00 0.00 0.00 173.10 173.02 1rnb s LYS 66 N -3.50 0.58 0.11 2.90 3.01 -1.26 -5.08 119.74 116.49 1rnb s LYS 66 Ca 0.31 0.33 -0.31 0.00 -1.01 0.00 0.00 55.97 55.29 1rnb s LYS 66 Cb -0.08 0.27 -0.09 0.00 -1.01 0.00 0.00 37.83 36.92 1rnb s LYS 66 CO 0.21 -0.11 1.72 0.45 0.51 0.00 0.00 175.35 178.13 1rnb s SER 67 N -0.33 6.52 0.00 2.83 0.15 -1.26 -2.29 113.70 119.33 1rnb s SER 67 Ca -0.05 2.62 0.00 0.00 0.70 0.00 0.00 55.95 59.22 1rnb s SER 67 Cb -0.03 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1rnb s SER 67 CO 0.02 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.14 1rnb n GLY 68 N 4.06 0.21 3.73 9.45 0.00 -1.26 -5.05 105.19 116.33 1rnb n GLY 68 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1rnb n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rnb s ARG 69 N -0.97 4.42 -0.02 1.61 3.52 -0.97 -5.00 118.95 121.54 1rnb s ARG 69 Ca 0.00 0.85 0.03 0.00 -0.13 0.00 0.00 55.73 56.48 1rnb s ARG 69 Cb 0.00 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1rnb s ARG 69 CO 0.00 0.14 -0.10 0.99 -0.81 0.00 0.00 175.30 175.52 1rnb s THR 70 N 0.56 3.42 -0.01 4.11 2.01 -1.26 -4.88 115.64 119.59 1rnb s THR 70 Ca 0.36 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1rnb s THR 70 Cb -0.18 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1rnb s THR 70 CO 0.18 0.48 -0.02 0.26 -0.69 0.00 0.00 174.62 174.83 1rnb s TRP 71 N -0.88 3.03 0.13 4.92 0.52 -1.26 -2.26 118.94 123.14 1rnb s TRP 71 Ca 0.14 0.06 0.06 0.00 0.02 0.00 0.00 56.10 56.38 1rnb s TRP 71 Cb -0.11 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 1rnb s TRP 71 CO 0.04 0.43 -0.15 1.03 0.02 0.00 0.00 176.95 178.33 1rnb s ARG 72 N -1.43 1.07 0.21 4.98 0.52 0.14 -0.88 118.95 123.56 1rnb s ARG 72 Ca 0.18 -1.27 0.06 0.00 -0.52 0.00 0.00 55.73 54.18 1rnb s ARG 72 Cb -0.11 -0.99 -0.05 0.00 0.52 0.00 0.00 34.95 34.32 1rnb s ARG 72 CO 0.08 0.19 -0.09 -1.83 0.02 0.00 0.00 175.30 173.68 1rnb s GLU 73 N -2.67 1.29 -0.10 3.54 -1.05 -0.78 -0.39 118.70 118.54 1rnb s GLU 73 Ca 0.10 -1.60 -0.09 0.00 -0.15 0.00 0.00 54.97 53.23 1rnb s GLU 73 Cb -0.05 -0.86 0.03 0.00 -0.44 0.00 0.00 34.13 32.80 1rnb s GLU 73 CO 0.04 0.06 0.27 0.00 0.95 0.00 0.00 175.26 176.58 1rnb s ALA 74 N -3.19 -0.66 0.27 -0.84 0.00 0.53 -0.60 121.76 117.27 1rnb s ALA 74 Ca 0.23 0.74 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 1rnb s ALA 74 Cb 0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 1rnb s ALA 74 CO 0.06 -0.13 1.09 -0.51 0.00 0.00 0.00 175.76 176.28 1rnb s ASP 75 N 0.12 7.28 0.01 0.00 1.11 -0.48 -1.05 116.67 123.67 1rnb s ASP 75 Ca -0.00 2.24 0.08 0.00 0.18 0.00 0.00 52.55 55.05 1rnb s ASP 75 Cb -0.02 -2.62 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1rnb s ASP 75 CO 0.00 -0.14 -0.23 -0.63 1.18 0.00 0.00 175.17 175.36 1rnb s ILE 76 N -1.07 2.39 -1.01 0.77 -1.09 -0.78 -4.70 121.20 115.70 1rnb s ILE 76 Ca 0.45 -1.18 -0.02 0.00 -2.23 0.00 0.00 60.65 57.67 1rnb s ILE 76 Cb -0.32 -1.92 0.00 0.00 -1.58 0.00 0.00 42.46 38.64 1rnb s ILE 76 CO 0.40 0.45 0.25 0.59 -1.23 0.00 0.00 174.94 175.40 1rnb n ASN 77 N 1.97 -4.26 -4.78 3.58 3.02 0.86 -4.51 115.26 111.15 1rnb n ASN 77 Ca -0.16 -0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 53.89 1rnb n ASN 77 Cb 0.52 -3.24 -0.06 0.00 -0.61 0.00 0.00 39.78 36.38 1rnb n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1rnb s TYR 78 N -2.83 3.56 0.04 3.10 5.04 -1.26 -4.94 117.35 120.06 1rnb s TYR 78 Ca 0.12 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 55.47 1rnb s TYR 78 Cb -0.05 -2.30 -0.00 0.00 0.35 0.00 0.00 41.96 39.95 1rnb s TYR 78 CO 0.15 0.41 -0.02 2.41 -1.34 0.00 0.00 175.55 177.16 1rnb n THR 79 N 2.89 0.77 -3.72 4.34 -1.04 -1.26 -4.90 114.28 111.36 1rnb n THR 79 Ca -0.13 0.22 -0.04 0.00 -2.04 0.00 0.00 64.05 62.06 1rnb n THR 79 Cb 0.52 -1.58 -0.01 0.00 -1.82 0.00 0.00 70.33 67.43 1rnb n THR 79 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1rnb s SER 80 N -5.64 -0.21 0.00 8.00 1.04 -1.26 -4.76 113.70 110.88 1rnb s SER 80 Ca -0.02 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1rnb s SER 80 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1rnb s SER 80 CO 0.02 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.97 1rnb n GLY 81 N -0.44 -1.56 3.77 7.32 0.00 -1.26 -4.93 105.19 108.09 1rnb n GLY 81 Ca -0.06 -1.87 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1rnb n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rnb s PHE 82 N 0.00 2.60 0.53 1.61 0.08 -1.26 -4.47 117.98 117.06 1rnb s PHE 82 Ca 0.00 1.55 -0.20 0.00 0.12 0.00 0.00 56.93 58.40 1rnb s PHE 82 Cb 0.00 -3.13 -0.06 0.00 -0.57 0.00 0.00 43.02 39.26 1rnb s PHE 82 CO 0.00 -1.74 1.13 1.03 -0.10 0.00 0.00 175.22 175.53 1rnb s ARG 83 N -4.37 3.45 0.00 0.44 0.52 -1.26 -5.03 118.95 112.70 1rnb s ARG 83 Ca 0.65 1.61 0.00 0.00 -0.52 0.00 0.00 55.73 57.47 1rnb s ARG 83 Cb -0.19 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.21 1rnb s ARG 83 CO 0.47 -0.77 0.00 0.27 0.02 0.00 0.00 175.30 175.28 1rnb n ASN 84 N -1.16 0.00 -1.09 0.23 0.23 -1.26 -5.04 115.26 107.17 1rnb n ASN 84 Ca 0.11 -0.49 0.11 0.00 -0.53 0.00 0.00 54.58 53.78 1rnb n ASN 84 Cb 0.51 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.46 1rnb n ASN 84 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1rnb n SER 85 N -1.47 3.23 -4.69 0.53 7.64 -1.26 -4.95 113.62 112.65 1rnb n SER 85 Ca 0.00 -1.96 -0.39 0.00 1.01 0.00 0.00 58.87 57.53 1rnb n SER 85 Cb 0.00 -0.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.87 1rnb n SER 85 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1rnb s ASP 86 N -1.40 6.64 -0.00 6.43 1.01 -1.26 -2.06 116.67 126.02 1rnb s ASP 86 Ca 0.39 0.77 -0.08 0.00 0.71 0.00 0.00 52.55 54.34 1rnb s ASP 86 Cb 0.22 -2.30 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1rnb s ASP 86 CO 0.31 -0.12 0.15 -0.13 0.21 0.00 0.00 175.17 175.59 1rnb s ARG 87 N 1.24 0.49 -0.15 8.23 1.81 0.12 -1.86 118.95 128.82 1rnb s ARG 87 Ca 0.26 -0.36 -0.02 0.00 -1.72 0.00 0.00 55.73 53.89 1rnb s ARG 87 Cb -0.15 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1rnb s ARG 87 CO 0.10 -0.12 -0.09 -1.50 -0.68 0.00 0.00 175.30 173.01 1rnb s ILE 88 N -1.33 3.29 -0.18 1.52 2.07 -0.21 -0.61 121.20 125.75 1rnb s ILE 88 Ca -0.14 -0.56 -0.02 0.00 -1.41 0.00 0.00 60.65 58.52 1rnb s ILE 88 Cb -0.07 -2.42 -0.01 0.00 0.13 0.00 0.00 42.46 40.09 1rnb s ILE 88 CO 0.02 0.50 -0.09 -0.76 -1.91 0.00 0.00 174.94 172.69 1rnb s LEU 89 N 0.59 2.77 -0.01 8.50 2.01 0.54 -0.35 118.68 132.73 1rnb s LEU 89 Ca -0.06 -0.38 0.01 0.00 0.01 0.00 0.00 54.13 53.72 1rnb s LEU 89 Cb -0.15 -1.66 -0.00 0.00 0.01 0.00 0.00 46.19 44.38 1rnb s LEU 89 CO 0.03 0.07 -0.04 -0.72 1.01 0.00 0.00 176.35 176.69 1rnb s TYR 90 N 0.94 0.43 0.41 0.29 1.13 0.48 0.11 117.35 121.13 1rnb s TYR 90 Ca -0.02 -0.08 0.03 0.00 -1.41 0.00 0.00 57.07 55.59 1rnb s TYR 90 Cb -0.15 -0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 40.41 1rnb s TYR 90 CO -0.00 -0.02 0.59 -1.54 -2.51 0.00 0.00 175.55 172.07 1rnb s SER 91 N 0.01 5.87 0.25 -0.18 1.04 -0.74 0.26 113.70 120.21 1rnb s SER 91 Ca 0.00 0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 1rnb s SER 91 Cb -0.03 -1.39 0.46 0.00 0.10 0.00 0.00 66.02 65.16 1rnb s SER 91 CO -0.00 -0.61 1.63 0.28 0.98 0.00 0.00 173.24 175.52 1rnb h SER 92 N 0.58 -0.32 -0.73 7.02 0.02 -1.80 -0.55 113.55 117.77 1rnb h SER 92 Ca -0.46 0.20 -0.25 0.00 -0.84 0.00 0.00 61.79 60.44 1rnb h SER 92 Cb 1.26 0.34 -0.15 0.00 0.14 0.00 0.00 62.40 63.99 1rnb h SER 92 CO 0.55 -0.18 0.30 -0.90 -1.14 0.00 0.00 176.83 175.46 1rnb n ASP 93 N -5.34 4.47 -2.78 3.07 5.75 -1.26 -4.99 116.55 115.46 1rnb n ASP 93 Ca 0.14 -3.32 -0.20 0.00 -0.01 0.00 0.00 54.79 51.41 1rnb n ASP 93 Cb 0.50 -0.74 0.01 0.00 -1.03 0.00 0.00 41.12 39.85 1rnb n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1rnb n TRP 94 N -0.40 -1.56 -2.83 2.11 7.02 -0.21 -5.02 117.44 116.54 1rnb n TRP 94 Ca 0.43 0.27 -0.39 0.00 -1.02 0.00 0.00 57.50 56.79 1rnb n TRP 94 Cb 1.39 -3.82 -0.06 0.00 -2.42 0.00 0.00 31.31 26.40 1rnb n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1rnb s LEU 95 N -6.28 4.54 -0.09 -0.99 1.43 -1.26 -4.83 118.68 111.20 1rnb s LEU 95 Ca 0.17 1.82 0.01 0.00 -1.03 0.00 0.00 54.13 55.11 1rnb s LEU 95 Cb -0.08 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.50 1rnb s LEU 95 CO 0.21 0.10 -0.10 -0.63 0.23 0.00 0.00 176.35 176.17 1rnb s ILE 96 N -1.31 1.06 0.22 -0.59 1.01 2.36 -1.79 121.20 122.15 1rnb s ILE 96 Ca 0.43 -0.37 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1rnb s ILE 96 Cb -0.23 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 1rnb s ILE 96 CO 0.28 0.36 -0.15 -0.31 0.00 0.00 0.00 174.94 175.11 1rnb s TYR 97 N 1.21 1.83 0.08 3.97 1.51 0.12 0.08 117.35 126.14 1rnb s TYR 97 Ca -0.04 -0.53 0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1rnb s TYR 97 Cb -0.14 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 1rnb s TYR 97 CO -0.03 0.42 -0.10 -1.59 -1.11 0.00 0.00 175.55 173.15 1rnb s LYS 98 N -3.62 0.75 -0.02 -0.62 -2.85 0.45 -0.34 119.74 113.49 1rnb s LYS 98 Ca 0.24 -1.03 -0.01 0.00 -1.00 0.00 0.00 55.97 54.18 1rnb s LYS 98 Cb -0.01 -0.49 0.01 0.00 -2.06 0.00 0.00 37.83 35.28 1rnb s LYS 98 CO 0.09 0.08 0.04 -0.08 0.10 0.00 0.00 175.35 175.58 1rnb s THR 99 N -2.05 -0.02 -0.12 3.79 -1.32 0.22 -0.47 115.64 115.67 1rnb s THR 99 Ca 0.00 0.09 0.07 0.00 -1.21 0.00 0.00 61.69 60.64 1rnb s THR 99 Cb -0.05 -0.08 0.14 0.00 -1.51 0.00 0.00 72.50 71.00 1rnb s THR 99 CO 0.00 0.04 1.08 0.35 -2.21 0.00 0.00 174.62 173.88 1rnb n THR 100 N 3.53 1.32 -2.79 5.08 -2.24 -1.26 -0.70 114.28 117.23 1rnb n THR 100 Ca -0.19 -1.42 -0.00 0.00 -2.27 0.00 0.00 64.05 60.17 1rnb n THR 100 Cb 0.56 0.24 0.05 0.00 -2.10 0.00 0.00 70.33 69.08 1rnb n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rnb n ASP 101 N -0.70 1.63 -3.46 3.42 5.68 -1.18 -4.62 116.55 117.32 1rnb n ASP 101 Ca 0.07 -2.07 -0.22 0.00 -0.50 0.00 0.00 54.79 52.06 1rnb n ASP 101 Cb 0.41 -0.46 0.05 0.00 -1.14 0.00 0.00 41.12 39.97 1rnb n ASP 101 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1rnb n HIS 102 N -0.53 -2.24 -1.89 2.11 -0.00 -0.87 -2.52 115.22 109.27 1rnb n HIS 102 Ca 0.08 0.69 -0.18 0.00 -0.00 0.00 0.00 57.72 58.31 1rnb n HIS 102 Cb 0.83 -3.74 -0.05 0.00 -0.00 0.00 0.00 29.99 27.03 1rnb n HIS 102 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1rnb n TYR 103 N -3.51 -0.39 0.03 1.57 4.01 -1.26 -4.89 117.16 112.72 1rnb n TYR 103 Ca -0.08 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.47 1rnb n TYR 103 Cb 0.60 -3.30 -0.14 0.00 -0.31 0.00 0.00 39.34 36.18 1rnb n TYR 103 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1rnb h GLN 104 N 0.00 0.26 -4.12 -0.72 7.50 -1.90 -3.47 115.11 112.67 1rnb h GLN 104 Ca -0.40 -0.43 -0.17 0.00 0.50 0.00 0.00 58.65 58.15 1rnb h GLN 104 Cb 1.24 0.16 -0.20 0.00 0.05 0.00 0.00 27.48 28.73 1rnb h GLN 104 CO 0.53 1.19 -0.70 0.95 -1.50 0.00 0.00 178.83 179.30 1rnb s THR 105 N -2.49 0.20 0.05 -0.54 -4.23 -1.26 -5.09 115.64 102.27 1rnb s THR 105 Ca -0.14 -1.15 0.04 0.00 -1.18 0.00 0.00 61.69 59.26 1rnb s THR 105 Cb 0.01 -0.60 -0.02 0.00 1.34 0.00 0.00 72.50 73.22 1rnb s THR 105 CO 0.81 -0.60 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.81 1rnb s PHE 106 N -2.03 0.98 -0.05 3.99 0.08 -1.26 -4.24 117.98 115.46 1rnb s PHE 106 Ca -0.10 -0.42 0.04 0.00 0.12 0.00 0.00 56.93 56.57 1rnb s PHE 106 Cb -0.06 -0.57 -0.00 0.00 -0.57 0.00 0.00 43.02 41.82 1rnb s PHE 106 CO -0.03 0.00 -0.18 0.99 -0.10 0.00 0.00 175.22 175.90 1rnb s THR 107 N -1.13 1.49 0.26 0.64 2.01 0.38 -4.92 115.64 114.37 1rnb s THR 107 Ca -0.04 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1rnb s THR 107 Cb -0.09 -1.29 -0.10 0.00 0.01 0.00 0.00 72.50 71.04 1rnb s THR 107 CO 0.01 0.43 1.31 -0.75 -0.69 0.00 0.00 174.62 174.93 1rnb s LYS 108 N 0.09 4.38 -0.04 4.92 2.20 -1.26 -0.41 119.74 129.63 1rnb s LYS 108 Ca -0.06 2.13 -0.01 0.00 -0.36 0.00 0.00 55.97 57.67 1rnb s LYS 108 Cb -0.12 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1rnb s LYS 108 CO 0.03 -0.22 -0.04 -0.89 -0.36 0.00 0.00 175.35 173.87 1rnb n ILE 109 N 1.83 0.19 -0.91 5.43 5.41 0.11 -4.89 119.36 126.53 1rnb n ILE 109 Ca 0.03 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1rnb n ILE 109 Cb 0.42 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 1rnb n ILE 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41