#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rgf s VAL 2 N 0.00 5.26 0.30 2.53 1.01 -1.26 -4.56 120.40 123.69 1rgf s VAL 2 Ca 0.00 0.54 0.07 0.00 0.00 0.00 0.00 61.98 62.59 1rgf s VAL 2 Cb 0.00 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.85 1rgf s VAL 2 CO 0.00 0.57 1.72 0.28 0.00 0.00 0.00 175.10 177.67 1rgf h SER 3 N 5.07 0.22 -0.60 3.32 0.02 -1.16 -3.49 113.55 116.93 1rgf h SER 3 Ca -0.52 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 1rgf h SER 3 Cb 1.22 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1rgf h SER 3 CO 0.62 0.61 0.00 0.61 -1.14 0.00 0.00 176.83 177.52 1rgf n GLY 4 N -0.23 -0.72 3.67 -3.77 0.00 -1.26 -5.05 105.19 97.83 1rgf n GLY 4 Ca -0.01 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 1rgf n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rgf s THR 5 N -2.85 4.24 -0.02 2.61 2.01 -1.26 -0.60 115.64 119.76 1rgf s THR 5 Ca 0.00 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.75 1rgf s THR 5 Cb 0.00 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1rgf s THR 5 CO 0.00 0.61 -0.10 0.68 -0.69 0.00 0.00 174.62 175.11 1rgf s VAL 6 N -0.88 0.85 0.41 3.82 -7.23 0.10 -4.89 120.40 112.58 1rgf s VAL 6 Ca 0.13 -0.42 -0.26 0.00 -1.81 0.00 0.00 61.98 59.62 1rgf s VAL 6 Cb -0.11 -0.74 -0.09 0.00 0.56 0.00 0.00 36.38 36.00 1rgf s VAL 6 CO 0.02 0.25 1.31 0.00 -0.31 0.00 0.00 175.10 176.38 1rgf h LEU 8 N 2.66 0.99 -2.41 0.00 5.85 -0.63 -0.64 115.31 121.13 1rgf h LEU 8 Ca -0.50 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1rgf h LEU 8 Cb 1.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1rgf h LEU 8 CO 0.62 0.65 0.00 0.77 -0.34 0.00 0.00 178.44 180.14 1rgf h SER 9 N 1.13 0.00 0.24 1.25 4.64 -1.69 -1.91 113.55 117.22 1rgf h SER 9 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1rgf h SER 9 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1rgf h SER 9 CO -0.14 0.00 -0.31 0.00 -0.87 0.00 0.00 176.83 175.51 1rgf n ALA 10 N -2.06 3.19 -2.31 5.18 0.00 -0.25 -4.92 120.51 119.35 1rgf n ALA 10 Ca -0.02 -0.42 -0.21 0.00 0.00 0.00 0.00 53.44 52.80 1rgf n ALA 10 Cb 0.14 -1.10 0.01 0.00 0.00 0.00 0.00 19.45 18.50 1rgf n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rgf s LEU 11 N -2.56 3.72 0.54 0.00 1.43 -0.72 -5.01 118.68 116.09 1rgf s LEU 11 Ca 0.22 0.01 -0.21 0.00 -1.03 0.00 0.00 54.13 53.12 1rgf s LEU 11 Cb 0.19 -2.93 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 1rgf s LEU 11 CO 0.55 -0.66 1.03 -2.65 0.23 0.00 0.00 176.35 174.85 1rgf n PRO 12 N -1.93 1.16 0.16 1.29 -0.02 -1.26 -4.85 135.00 129.56 1rgf n PRO 12 Ca 0.02 0.43 0.15 0.00 -2.02 0.00 0.00 63.50 62.09 1rgf n PRO 12 Cb 0.58 -2.19 0.73 0.00 -0.02 0.00 0.00 33.50 32.60 1rgf n PRO 12 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1rgf h PRO 13 N 0.95 0.00 0.00 0.52 0.13 -1.95 0.04 132.00 131.70 1rgf h PRO 13 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1rgf h PRO 13 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1rgf h PRO 13 CO 0.53 0.00 -0.07 0.93 -0.23 0.00 0.00 178.00 179.17 1rgf h GLU 14 N 0.00 0.00 -0.41 0.86 3.07 -1.88 -1.59 114.58 114.62 1rgf h GLU 14 Ca 0.11 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.86 1rgf h GLU 14 Cb 0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1rgf h GLU 14 CO -0.00 0.07 -0.16 0.00 -1.40 0.00 0.00 179.01 177.52 1rgf h ALA 15 N 1.93 0.95 -0.71 3.43 0.00 -1.31 -1.69 119.26 121.86 1rgf h ALA 15 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1rgf h ALA 15 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1rgf h ALA 15 CO 0.01 0.61 0.33 1.15 0.00 0.00 0.00 179.25 181.35 1rgf h THR 16 N 0.69 1.24 -0.34 0.00 2.02 -1.41 -1.35 112.91 113.75 1rgf h THR 16 Ca 0.11 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1rgf h THR 16 Cb 0.65 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1rgf h THR 16 CO 0.05 0.28 0.22 0.44 0.37 0.00 0.00 175.52 176.88 1rgf h ASP 17 N 0.99 0.39 -0.55 4.18 3.32 -1.22 -1.15 116.42 122.39 1rgf h ASP 17 Ca 0.24 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1rgf h ASP 17 Cb 0.14 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1rgf h ASP 17 CO -0.03 0.28 0.25 0.74 -1.72 0.00 0.00 179.24 178.76 1rgf h THR 18 N 0.46 1.21 -0.71 0.35 2.02 -1.08 -1.68 112.91 113.48 1rgf h THR 18 Ca 0.13 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.69 1rgf h THR 18 Cb -0.05 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 1rgf h THR 18 CO -0.03 0.24 0.44 -0.07 0.37 0.00 0.00 175.52 176.47 1rgf h LEU 19 N 0.74 0.84 -0.92 2.58 3.38 -0.97 -0.46 115.31 120.51 1rgf h LEU 19 Ca 0.19 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1rgf h LEU 19 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1rgf h LEU 19 CO -0.02 0.64 0.19 0.78 0.09 0.00 0.00 178.44 180.13 1rgf h ASN 20 N 0.98 0.92 -0.43 -0.43 2.35 -0.75 -1.35 115.58 116.86 1rgf h ASN 20 Ca 0.26 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.73 1rgf h ASN 20 Cb -0.05 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1rgf h ASN 20 CO -0.05 0.86 -0.18 -0.07 -1.65 0.00 0.00 177.43 176.35 1rgf h LEU 21 N 0.95 0.94 -0.66 1.61 3.38 -0.57 -2.57 115.31 118.39 1rgf h LEU 21 Ca 0.21 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1rgf h LEU 21 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1rgf h LEU 21 CO -0.01 1.09 0.30 0.40 0.09 0.00 0.00 178.44 180.32 1rgf h ILE 22 N 0.81 1.23 -0.08 1.22 2.04 -0.82 0.79 117.51 122.69 1rgf h ILE 22 Ca 0.12 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1rgf h ILE 22 Cb 0.73 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1rgf h ILE 22 CO 0.06 0.27 -0.11 0.00 0.00 0.00 0.00 178.15 178.36 1rgf h ALA 23 N 1.14 1.66 -0.29 1.87 0.00 -1.01 -2.48 119.26 120.14 1rgf h ALA 23 Ca 0.22 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1rgf h ALA 23 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1rgf h ALA 23 CO -0.03 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1rgf n SER 24 N -4.34 2.99 -3.53 0.00 3.41 -0.99 -4.96 113.62 106.20 1rgf n SER 24 Ca -0.02 -1.93 -0.23 0.00 -0.26 0.00 0.00 58.87 56.44 1rgf n SER 24 Cb 0.22 -0.18 0.08 0.00 -0.26 0.00 0.00 64.21 64.07 1rgf n SER 24 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1rgf n ASP 25 N 1.21 -5.63 0.00 4.04 8.00 -0.53 -4.76 116.55 118.88 1rgf n ASP 25 Ca 0.18 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.13 1rgf n ASP 25 Cb 0.54 -5.00 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 1rgf n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rgf n GLY 26 N -1.85 -1.71 3.79 0.44 0.00 0.16 -4.84 105.19 101.17 1rgf n GLY 26 Ca -0.04 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 43.92 1rgf n GLY 26 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rgf s PRO 27 N 0.00 3.22 0.08 1.61 0.04 -1.26 -4.90 135.00 133.78 1rgf s PRO 27 Ca 0.00 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.40 1rgf s PRO 27 Cb 0.00 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1rgf s PRO 27 CO 0.00 -0.91 0.05 -0.06 0.04 0.00 0.00 177.00 176.12 1rgf s PHE 28 N -2.29 3.12 0.33 0.56 0.08 -1.26 -4.99 117.98 113.53 1rgf s PHE 28 Ca 0.66 0.05 0.10 0.00 0.12 0.00 0.00 56.93 57.86 1rgf s PHE 28 Cb -0.18 -1.60 0.59 0.00 -0.57 0.00 0.00 43.02 41.26 1rgf s PHE 28 CO 0.35 0.51 1.76 -1.00 -0.10 0.00 0.00 175.22 176.74 1rgf h PRO 29 N 3.42 0.10 -6.33 0.24 0.13 -1.99 -3.44 132.00 124.12 1rgf h PRO 29 Ca -0.47 -0.04 -0.68 0.00 -0.87 0.00 0.00 66.00 63.94 1rgf h PRO 29 Cb 1.16 -0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.10 1rgf h PRO 29 CO 0.63 0.48 -0.73 0.71 -0.23 0.00 0.00 178.00 178.86 1rgf s TYR 30 N -4.14 2.80 0.13 1.56 2.02 -1.26 -5.02 117.35 113.43 1rgf s TYR 30 Ca -0.03 -0.09 0.30 0.00 -0.37 0.00 0.00 57.07 56.87 1rgf s TYR 30 Cb 0.14 -1.60 1.21 0.00 -0.40 0.00 0.00 41.96 41.31 1rgf s TYR 30 CO 0.75 0.31 1.93 0.66 -1.57 0.00 0.00 175.55 177.63 1rgf h SER 31 N 4.79 0.00 1.09 2.29 4.64 -2.05 -2.60 113.55 121.71 1rgf h SER 31 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1rgf h SER 31 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1rgf h SER 31 CO 0.52 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.56 1rgf n GLN 32 N -3.22 0.15 -2.03 4.77 3.00 -1.26 -4.82 117.38 113.96 1rgf n GLN 32 Ca 0.00 0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.78 1rgf n GLN 32 Cb 0.35 -1.70 -0.03 0.00 0.00 0.00 0.00 30.24 28.85 1rgf n GLN 32 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1rgf s ASP 33 N -3.90 6.69 0.00 1.08 1.01 -0.98 -2.50 116.67 118.07 1rgf s ASP 33 Ca 0.10 2.36 0.00 0.00 0.71 0.00 0.00 52.55 55.72 1rgf s ASP 33 Cb 0.13 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.50 1rgf s ASP 33 CO 0.50 -0.82 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1rgf n GLY 34 N 3.86 0.49 3.80 0.21 0.00 0.40 -5.01 105.19 108.94 1rgf n GLY 34 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1rgf n GLY 34 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rgf s VAL 35 N -2.15 3.77 0.28 1.61 -7.23 -1.04 -4.70 120.40 110.95 1rgf s VAL 35 Ca 0.00 0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 60.51 1rgf s VAL 35 Cb 0.00 -3.26 -0.10 0.00 0.56 0.00 0.00 36.38 33.58 1rgf s VAL 35 CO 0.00 -0.69 1.36 -0.69 -0.31 0.00 0.00 175.10 174.77 1rgf s VAL 36 N -2.86 2.73 -0.33 1.32 1.01 -1.26 -1.09 120.40 119.92 1rgf s VAL 36 Ca 0.60 0.67 -0.14 0.00 0.00 0.00 0.00 61.98 63.11 1rgf s VAL 36 Cb -0.15 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1rgf s VAL 36 CO 0.51 0.13 0.30 0.12 0.00 0.00 0.00 175.10 176.17 1rgf s PHE 37 N -0.55 3.22 -0.22 5.22 5.36 -0.08 -4.73 117.98 126.19 1rgf s PHE 37 Ca 0.54 -0.06 0.28 0.00 -0.96 0.00 0.00 56.93 56.73 1rgf s PHE 37 Cb -0.40 -2.57 0.91 0.00 -0.34 0.00 0.00 43.02 40.62 1rgf s PHE 37 CO 0.48 -0.38 1.81 1.96 -1.46 0.00 0.00 175.22 177.63 1rgf h GLN 38 N 8.45 0.00 -6.18 10.12 4.20 -1.95 -3.40 115.11 126.36 1rgf h GLN 38 Ca -0.31 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 57.96 1rgf h GLN 38 Cb 1.15 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.95 1rgf h GLN 38 CO 0.66 0.00 -0.79 -1.71 -0.67 0.00 0.00 178.83 176.31 1rgf n ASN 39 N -2.93 -2.92 0.11 1.46 5.15 -1.26 -4.86 115.26 110.01 1rgf n ASN 39 Ca 0.02 -0.79 0.04 0.00 -0.60 0.00 0.00 54.58 53.25 1rgf n ASN 39 Cb 0.39 -4.01 0.46 0.00 -0.53 0.00 0.00 39.78 36.09 1rgf n ASN 39 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 1rgf h ARG 40 N -2.00 0.30 -0.01 1.20 2.43 -2.00 -1.99 114.38 112.32 1rgf h ARG 40 Ca -0.60 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 1rgf h ARG 40 Cb 1.37 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1rgf h ARG 40 CO 0.61 0.29 -0.02 0.39 -1.51 0.00 0.00 179.97 179.73 1rgf n GLU 41 N -4.41 1.50 -2.97 0.20 4.71 -1.26 -4.94 120.64 113.48 1rgf n GLU 41 Ca 0.00 -0.78 -0.22 0.00 -0.01 0.00 0.00 57.16 56.15 1rgf n GLU 41 Cb 0.15 -1.48 0.03 0.00 -1.01 0.00 0.00 31.44 29.13 1rgf n GLU 41 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1rgf n SER 42 N -0.07 -6.14 0.03 1.62 7.64 -0.75 -4.91 113.62 111.04 1rgf n SER 42 Ca 0.19 -0.27 -0.13 0.00 1.01 0.00 0.00 58.87 59.68 1rgf n SER 42 Cb 0.32 -4.96 -0.01 0.00 -1.01 0.00 0.00 64.21 58.54 1rgf n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1rgf h VAL 43 N -1.29 1.34 -2.48 0.44 2.07 -1.92 -3.39 116.25 111.02 1rgf h VAL 43 Ca -0.53 -2.11 -0.45 0.00 0.82 0.00 0.00 66.70 64.43 1rgf h VAL 43 Cb 1.37 2.10 0.03 0.00 -1.52 0.00 0.00 31.29 33.26 1rgf h VAL 43 CO 0.57 0.65 -0.15 -0.76 0.02 0.00 0.00 177.57 177.90 1rgf s LEU 44 N -8.09 3.68 0.35 2.57 1.43 -1.26 -0.05 118.68 117.31 1rgf s LEU 44 Ca -0.07 0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 52.89 1rgf s LEU 44 Cb 0.10 -3.03 -0.12 0.00 0.03 0.00 0.00 46.19 43.17 1rgf s LEU 44 CO 0.86 -0.69 1.15 -2.65 0.23 0.00 0.00 176.35 175.25 1rgf n PRO 45 N -2.01 1.73 -1.91 1.29 -0.02 -1.26 -4.87 135.00 127.95 1rgf n PRO 45 Ca 0.02 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.69 1rgf n PRO 45 Cb 0.58 -2.14 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1rgf n PRO 45 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rgf s THR 46 N -1.14 2.79 0.20 3.45 2.01 -1.26 -4.99 115.64 116.71 1rgf s THR 46 Ca 0.59 0.42 -0.06 0.00 0.31 0.00 0.00 61.69 62.95 1rgf s THR 46 Cb -0.59 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 1rgf s THR 46 CO 0.60 0.01 0.25 -1.10 -0.69 0.00 0.00 174.62 173.70 1rgf s GLN 47 N 1.96 1.26 0.81 4.92 -1.52 -1.26 -5.15 119.66 120.67 1rgf s GLN 47 Ca 0.73 -1.41 -0.13 0.00 -1.95 0.00 0.00 55.36 52.60 1rgf s GLN 47 Cb -0.42 0.35 0.08 0.00 -0.22 0.00 0.00 33.01 32.80 1rgf s GLN 47 CO 0.32 -0.45 1.20 -1.54 -0.25 0.00 0.00 175.29 174.56 1rgf s SER 48 N -3.07 3.60 0.09 5.90 1.04 -1.26 -4.92 113.70 115.09 1rgf s SER 48 Ca 0.28 2.34 -0.31 0.00 0.48 0.00 0.00 55.95 58.74 1rgf s SER 48 Cb 0.04 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.48 1rgf s SER 48 CO 0.08 -2.66 1.87 -0.47 0.98 0.00 0.00 173.24 173.03 1rgf s TYR 49 N -2.20 1.89 0.00 5.02 5.04 -1.26 -2.12 117.35 123.72 1rgf s TYR 49 Ca 0.72 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 1rgf s TYR 49 Cb -0.28 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 37.84 1rgf s TYR 49 CO 0.51 -5.05 0.00 0.41 -1.34 0.00 0.00 175.55 170.08 1rgf n GLY 50 N 4.32 0.28 0.28 8.97 0.00 -1.26 -4.94 105.19 112.84 1rgf n GLY 50 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 1rgf n GLY 50 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1rgf h TYR 51 N 0.00 0.90 -3.35 1.61 5.03 -1.76 -3.44 116.97 115.96 1rgf h TYR 51 Ca 0.00 -0.17 -0.68 0.00 2.58 0.00 0.00 58.73 60.46 1rgf h TYR 51 Cb 0.00 -0.23 -0.15 0.00 1.55 0.00 0.00 36.73 37.91 1rgf h TYR 51 CO 0.00 0.89 -0.63 0.71 -1.32 0.00 0.00 178.16 177.81 1rgf s TYR 52 N -4.77 3.12 0.08 -3.82 2.02 -1.26 -2.70 117.35 110.02 1rgf s TYR 52 Ca -0.10 0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.79 1rgf s TYR 52 Cb 0.14 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.92 1rgf s TYR 52 CO 0.83 0.46 -0.11 -1.01 -1.57 0.00 0.00 175.55 174.15 1rgf s HIS 53 N -0.96 1.07 0.03 2.71 3.76 -0.87 -0.90 115.29 120.14 1rgf s HIS 53 Ca 0.16 -0.55 0.08 0.00 -0.15 0.00 0.00 55.06 54.59 1rgf s HIS 53 Cb -0.11 -0.59 -0.03 0.00 1.11 0.00 0.00 32.58 32.95 1rgf s HIS 53 CO 0.05 0.01 -0.24 -1.83 -0.85 0.00 0.00 174.74 171.89 1rgf s GLU 54 N -2.22 1.96 0.00 1.40 -1.05 -0.25 -0.99 118.70 117.55 1rgf s GLU 54 Ca 0.00 -1.03 0.01 0.00 -0.15 0.00 0.00 54.97 53.81 1rgf s GLU 54 Cb -0.07 -2.06 -0.01 0.00 -0.44 0.00 0.00 34.13 31.55 1rgf s GLU 54 CO 0.01 0.53 -0.04 0.71 0.95 0.00 0.00 175.26 177.42 1rgf s TYR 55 N -0.80 0.39 0.25 4.83 1.51 -0.07 -0.45 117.35 123.00 1rgf s TYR 55 Ca 0.12 -0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1rgf s TYR 55 Cb -0.10 -0.25 -0.09 0.00 -0.11 0.00 0.00 41.96 41.41 1rgf s TYR 55 CO 0.02 -0.03 1.18 0.99 -1.11 0.00 0.00 175.55 176.60 1rgf s THR 56 N -0.33 3.38 -0.32 -0.71 2.01 -1.26 -0.84 115.64 117.57 1rgf s THR 56 Ca -0.01 1.29 -0.08 0.00 0.31 0.00 0.00 61.69 63.20 1rgf s THR 56 Cb -0.03 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.67 1rgf s THR 56 CO -0.00 0.27 0.12 -0.69 -0.69 0.00 0.00 174.62 173.62 1rgf s VAL 57 N -0.70 4.18 0.31 3.82 1.01 -0.85 -4.78 120.40 123.40 1rgf s VAL 57 Ca 0.49 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 61.47 1rgf s VAL 57 Cb -0.34 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.74 1rgf s VAL 57 CO 0.41 -0.00 1.40 -0.63 0.00 0.00 0.00 175.10 176.28 1rgf s ILE 58 N 1.52 2.55 -0.35 2.22 1.01 -1.26 -4.36 121.20 122.53 1rgf s ILE 58 Ca 0.02 0.52 -0.13 0.00 0.00 0.00 0.00 60.65 61.06 1rgf s ILE 58 Cb -0.18 -3.33 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1rgf s ILE 58 CO 0.04 0.11 0.25 -0.89 0.00 0.00 0.00 174.94 174.44 1rgf s THR 59 N -0.69 5.27 0.17 2.92 2.01 -1.26 -4.81 115.64 119.25 1rgf s THR 59 Ca 0.54 -0.26 -0.33 0.00 0.31 0.00 0.00 61.69 61.94 1rgf s THR 59 Cb -0.42 -3.73 -0.14 0.00 0.01 0.00 0.00 72.50 68.22 1rgf s THR 59 CO 0.51 -0.04 1.48 -2.65 -0.69 0.00 0.00 174.62 173.24 1rgf n PRO 60 N 5.11 1.95 0.00 4.92 -0.02 -1.26 -2.25 135.00 143.45 1rgf n PRO 60 Ca -0.12 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1rgf n PRO 60 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1rgf n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rgf n GLY 61 N 2.87 2.80 3.77 -1.23 0.00 -1.26 -5.02 105.19 107.12 1rgf n GLY 61 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1rgf n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rgf s ALA 62 N -2.04 3.19 -0.19 4.61 0.00 -0.95 -4.92 121.76 121.45 1rgf s ALA 62 Ca 0.00 1.01 0.17 0.00 0.00 0.00 0.00 51.96 53.14 1rgf s ALA 62 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1rgf s ALA 62 CO 0.00 -0.56 1.25 0.00 0.00 0.00 0.00 175.76 176.45 1rgf h ARG 63 N 2.71 0.00 -5.96 0.00 3.08 -1.95 -3.47 114.38 108.79 1rgf h ARG 63 Ca -0.49 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 58.98 1rgf h ARG 63 Cb 1.23 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 1rgf h ARG 63 CO 0.63 0.32 -0.29 0.95 -1.07 0.00 0.00 179.97 180.51 1rgf s THR 64 N -3.03 1.67 -0.06 2.04 -4.23 -1.26 -5.01 115.64 105.76 1rgf s THR 64 Ca 0.02 -1.47 0.30 0.00 -1.18 0.00 0.00 61.69 59.35 1rgf s THR 64 Cb 0.08 -2.14 0.31 0.00 1.34 0.00 0.00 72.50 72.09 1rgf s THR 64 CO 0.76 0.00 1.89 0.03 -0.54 0.00 0.00 174.62 176.76 1rgf h ARG 65 N 0.73 0.00 0.00 3.99 3.08 -1.99 -3.46 114.38 116.73 1rgf h ARG 65 Ca -0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1rgf h ARG 65 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1rgf h ARG 65 CO 0.57 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.88 1rgf n GLY 66 N -0.48 -0.26 0.25 0.04 0.00 -1.26 -4.44 105.19 99.03 1rgf n GLY 66 Ca -0.00 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 45.00 1rgf n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rgf n THR 67 N 0.00 0.46 -3.90 2.61 -2.24 -1.26 -4.96 114.28 104.98 1rgf n THR 67 Ca 0.00 -0.73 -0.35 0.00 -2.27 0.00 0.00 64.05 60.70 1rgf n THR 67 Cb 0.00 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 68.98 1rgf n THR 67 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rgf s ARG 68 N -0.69 3.82 0.07 -0.78 0.52 -1.26 -1.32 118.95 119.30 1rgf s ARG 68 Ca 0.08 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 54.95 1rgf s ARG 68 Cb 0.05 -3.24 0.00 0.00 0.52 0.00 0.00 34.95 32.28 1rgf s ARG 68 CO 0.07 0.46 0.20 1.03 0.02 0.00 0.00 175.30 177.08 1rgf s ARG 69 N -0.14 0.79 -0.12 3.54 1.81 0.04 -2.00 118.95 122.88 1rgf s ARG 69 Ca 0.09 -0.81 0.01 0.00 -1.72 0.00 0.00 55.73 53.30 1rgf s ARG 69 Cb -0.12 0.33 -0.01 0.00 -0.45 0.00 0.00 34.95 34.70 1rgf s ARG 69 CO 0.01 -0.25 -0.16 0.42 -0.68 0.00 0.00 175.30 174.64 1rgf s ILE 70 N -3.33 2.76 -0.23 1.52 1.01 -0.02 -1.68 121.20 121.23 1rgf s ILE 70 Ca 0.01 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 1rgf s ILE 70 Cb 0.02 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1rgf s ILE 70 CO -0.08 0.54 0.02 -0.63 0.00 0.00 0.00 174.94 174.78 1rgf s ILE 71 N 0.28 3.92 0.15 2.92 -1.09 0.15 -0.89 121.20 126.64 1rgf s ILE 71 Ca -0.12 -0.31 -0.10 0.00 -2.23 0.00 0.00 60.65 57.90 1rgf s ILE 71 Cb -0.16 -2.81 -0.06 0.00 -1.58 0.00 0.00 42.46 37.85 1rgf s ILE 71 CO 0.06 0.39 0.47 0.42 -1.23 0.00 0.00 174.94 175.05 1rgf s THR 72 N 1.41 5.01 0.36 2.92 -4.23 -0.16 -0.59 115.64 120.36 1rgf s THR 72 Ca 0.05 0.45 0.08 0.00 -1.18 0.00 0.00 61.69 61.08 1rgf s THR 72 Cb -0.15 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 1rgf s THR 72 CO 0.01 0.12 0.23 -0.83 -0.54 0.00 0.00 174.62 173.61 1rgf s GLY 73 N -2.06 1.98 0.48 3.99 0.00 -0.15 -2.04 107.32 109.53 1rgf s GLY 73 Ca 0.40 -1.83 0.27 0.00 0.00 0.00 0.00 44.72 43.56 1rgf s GLY 73 CO 0.20 -1.72 1.88 0.83 0.00 0.00 0.00 173.10 174.30 1rgf h GLU 74 N 1.36 0.00 -7.17 2.90 3.07 -1.80 -3.42 114.58 109.52 1rgf h GLU 74 Ca -0.43 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 57.92 1rgf h GLU 74 Cb 1.26 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 29.25 1rgf h GLU 74 CO 0.62 0.14 0.39 0.00 -1.40 0.00 0.00 179.01 178.75 1rgf s ALA 75 N -3.67 2.58 0.04 3.43 0.00 -1.26 -4.94 121.76 117.94 1rgf s ALA 75 Ca 0.01 0.57 -0.34 0.00 0.00 0.00 0.00 51.96 52.20 1rgf s ALA 75 Cb 0.10 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.79 1rgf s ALA 75 CO 0.60 -1.06 1.76 2.41 0.00 0.00 0.00 175.76 179.47 1rgf n THR 76 N -2.09 0.34 -1.37 0.00 -1.04 -1.26 -1.78 114.28 107.07 1rgf n THR 76 Ca 0.10 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 1rgf n THR 76 Cb 0.52 -1.79 -0.05 0.00 -1.82 0.00 0.00 70.33 67.19 1rgf n THR 76 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1rgf n GLN 77 N 5.29 -1.16 -3.08 -2.82 1.13 -1.26 -4.94 117.38 110.55 1rgf n GLN 77 Ca 0.20 0.92 -0.45 0.00 -1.94 0.00 0.00 57.00 55.73 1rgf n GLN 77 Cb 0.31 -5.07 -0.04 0.00 0.11 0.00 0.00 30.24 25.54 1rgf n GLN 77 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1rgf s GLU 78 N -2.97 3.13 -0.02 -1.09 2.12 -0.74 -4.87 118.70 114.27 1rgf s GLU 78 Ca 0.00 -1.37 -0.00 0.00 0.36 0.00 0.00 54.97 53.96 1rgf s GLU 78 Cb 0.00 -4.33 0.02 0.00 0.26 0.00 0.00 34.13 30.08 1rgf s GLU 78 CO 0.00 -1.58 0.02 -0.51 -0.54 0.00 0.00 175.26 172.65 1rgf s ASP 79 N 3.55 0.05 -0.07 -1.70 1.01 -1.26 -0.97 116.67 117.28 1rgf s ASP 79 Ca 0.15 0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.48 1rgf s ASP 79 Cb -0.21 -0.05 -0.02 0.00 1.01 0.00 0.00 42.92 43.65 1rgf s ASP 79 CO 0.04 -0.10 -0.18 -0.31 0.21 0.00 0.00 175.17 174.83 1rgf s TYR 80 N 0.84 2.62 -0.12 4.23 2.02 0.24 -0.79 117.35 126.39 1rgf s TYR 80 Ca -0.07 -0.47 -0.05 0.00 -0.37 0.00 0.00 57.07 56.12 1rgf s TYR 80 Cb -0.10 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.76 1rgf s TYR 80 CO -0.02 -0.05 0.06 -0.47 -1.57 0.00 0.00 175.55 173.50 1rgf s TYR 81 N -0.29 3.31 -0.04 2.71 5.04 0.44 -0.67 117.35 127.84 1rgf s TYR 81 Ca 0.01 0.26 0.03 0.00 -2.44 0.00 0.00 57.07 54.93 1rgf s TYR 81 Cb -0.13 -1.90 0.00 0.00 0.35 0.00 0.00 41.96 40.28 1rgf s TYR 81 CO 0.03 0.47 -0.13 -0.08 -1.34 0.00 0.00 175.55 174.50 1rgf s THR 82 N -0.63 1.10 -0.83 4.34 -1.32 -0.68 -1.36 115.64 116.26 1rgf s THR 82 Ca 0.11 -0.51 0.07 0.00 -1.21 0.00 0.00 61.69 60.15 1rgf s THR 82 Cb -0.12 -0.97 0.10 0.00 -1.51 0.00 0.00 72.50 70.00 1rgf s THR 82 CO 0.02 0.33 0.87 0.61 -2.21 0.00 0.00 174.62 174.24 1rgf n GLY 83 N 3.39 0.35 1.61 6.08 0.00 -1.26 -0.78 105.19 114.57 1rgf n GLY 83 Ca -0.20 -0.22 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 1rgf n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rgf n ASP 84 N 0.34 2.84 -3.45 1.61 5.68 -1.22 -4.46 116.55 117.90 1rgf n ASP 84 Ca 0.05 -3.31 -0.19 0.00 -0.50 0.00 0.00 54.79 50.84 1rgf n ASP 84 Cb 0.24 -0.42 0.07 0.00 -1.14 0.00 0.00 41.12 39.87 1rgf n ASP 84 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1rgf n HIS 85 N -0.67 -2.19 -1.08 2.11 -0.00 -0.43 -3.20 115.22 109.76 1rgf n HIS 85 Ca 0.25 0.85 -0.03 0.00 -0.00 0.00 0.00 57.72 58.79 1rgf n HIS 85 Cb 0.87 -4.47 -0.01 0.00 -0.00 0.00 0.00 29.99 26.38 1rgf n HIS 85 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1rgf n TYR 86 N -3.88 0.00 -0.04 1.57 4.01 -1.26 -4.92 117.16 112.64 1rgf n TYR 86 Ca -0.20 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.39 1rgf n TYR 86 Cb 0.65 -0.98 -0.12 0.00 -0.31 0.00 0.00 39.34 38.58 1rgf n TYR 86 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rgf h ALA 87 N 0.00 0.01 -3.04 -0.72 0.00 -1.96 -3.47 119.26 110.08 1rgf h ALA 87 Ca -0.05 -0.43 -0.35 0.00 0.00 0.00 0.00 54.91 54.07 1rgf h ALA 87 Cb 0.38 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.98 1rgf h ALA 87 CO 0.08 -0.02 -0.75 0.95 0.00 0.00 0.00 179.25 179.51 1rgf s THR 88 N -3.02 0.97 0.03 0.00 -4.23 -1.26 -5.04 115.64 103.09 1rgf s THR 88 Ca -0.17 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1rgf s THR 88 Cb -0.00 -1.16 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 1rgf s THR 88 CO 0.71 -0.41 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.96 1rgf s PHE 89 N -1.86 0.53 0.04 3.99 0.08 -1.26 -4.38 117.98 115.12 1rgf s PHE 89 Ca 0.01 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 56.60 1rgf s PHE 89 Cb -0.07 -0.33 -0.02 0.00 -0.57 0.00 0.00 43.02 42.04 1rgf s PHE 89 CO 0.01 -0.12 -0.14 -1.12 -0.10 0.00 0.00 175.22 173.74 1rgf s SER 90 N -1.54 1.71 0.17 1.36 0.01 -0.46 -0.47 113.70 114.48 1rgf s SER 90 Ca -0.12 -0.45 -0.30 0.00 1.31 0.00 0.00 55.95 56.39 1rgf s SER 90 Cb -0.10 -0.12 -0.07 0.00 0.21 0.00 0.00 66.02 65.94 1rgf s SER 90 CO -0.00 0.05 0.96 -0.76 0.41 0.00 0.00 173.24 173.90 1rgf s LEU 91 N -1.08 4.56 -0.11 2.44 1.43 0.23 -0.42 118.68 125.73 1rgf s LEU 91 Ca 0.02 1.87 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 1rgf s LEU 91 Cb -0.08 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1rgf s LEU 91 CO 0.01 0.02 0.60 -0.63 0.23 0.00 0.00 176.35 176.58 1rgf s ILE 92 N -0.48 5.10 -0.43 -0.59 1.01 0.03 -0.72 121.20 125.12 1rgf s ILE 92 Ca 0.45 1.21 -0.13 0.00 0.00 0.00 0.00 60.65 62.18 1rgf s ILE 92 Cb -0.25 -3.94 0.06 0.00 0.01 0.00 0.00 42.46 38.35 1rgf s ILE 92 CO 0.31 0.26 0.31 -0.62 0.00 0.00 0.00 174.94 175.20 1rgf s ASP 93 N 0.79 5.94 0.00 3.58 -1.08 0.12 -4.70 116.67 121.32 1rgf s ASP 93 Ca 0.32 -1.26 0.26 0.00 -0.52 0.00 0.00 52.55 51.34 1rgf s ASP 93 Cb -0.16 -2.10 1.34 0.00 -1.46 0.00 0.00 42.92 40.53 1rgf s ASP 93 CO 0.14 -0.55 1.87 0.00 0.52 0.00 0.00 175.17 177.15 1rgf n GLN 94 N 5.09 0.44 0.00 4.34 6.02 -1.26 -1.15 117.38 130.85 1rgf n GLN 94 Ca -0.11 0.04 0.14 0.00 -0.01 0.00 0.00 57.00 57.05 1rgf n GLN 94 Cb 0.44 -1.50 0.49 0.00 1.02 0.00 0.00 30.24 30.69 1rgf n GLN 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1rgf n THR 95 N -1.24 0.00 -1.27 5.09 -2.24 -1.26 -4.89 114.28 108.47 1rgf n THR 95 Ca 0.13 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1rgf n THR 95 Cb 0.18 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1rgf n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50