#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p n ASN 2 N 0.00 -1.59 -0.96 7.83 6.94 -1.26 -4.95 115.26 121.27 1r6p n ASN 2 Ca 0.00 -2.33 0.07 0.00 -0.02 0.00 0.00 54.58 52.29 1r6p n ASN 2 Cb 0.00 0.81 0.22 0.00 -2.36 0.00 0.00 39.78 38.44 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1r6p n ASP 3 N -1.08 2.79 0.19 0.53 5.75 -1.26 -4.21 116.55 119.27 1r6p n ASP 3 Ca -0.10 -2.12 0.03 0.00 -0.01 0.00 0.00 54.79 52.59 1r6p n ASP 3 Cb 0.86 -0.37 0.39 0.00 -1.03 0.00 0.00 41.12 40.97 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1r6p h ILE 4 N 2.69 1.21 -0.84 2.12 -0.00 -1.98 -1.72 117.51 118.98 1r6p h ILE 4 Ca 0.00 -1.17 -0.03 0.00 -0.00 0.00 0.00 64.86 63.67 1r6p h ILE 4 Cb 0.78 1.63 -0.04 0.00 -0.00 0.00 0.00 36.82 39.20 1r6p h ILE 4 CO 0.06 0.33 0.41 1.88 -0.00 0.00 0.00 178.15 180.83 1r6p h TYR 5 N 0.00 1.20 0.00 0.16 -1.99 -1.98 -2.16 116.97 112.20 1r6p h TYR 5 Ca -0.00 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.54 1r6p h TYR 5 Cb 0.61 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 1r6p h TYR 5 CO 0.00 0.86 -0.63 0.87 -0.00 0.00 0.00 178.16 179.26 1r6p h LYS 6 N 1.19 0.00 0.00 4.88 6.56 -1.79 -3.16 116.57 124.25 1r6p h LYS 6 Ca 0.29 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.83 1r6p h LYS 6 Cb 0.10 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.75 1r6p h LYS 6 CO -0.04 0.63 -0.24 0.00 -2.06 0.00 0.00 179.45 177.74 1r6p h ALA 7 N 1.37 1.17 0.14 3.86 0.00 -0.72 -2.40 119.26 122.69 1r6p h ALA 7 Ca -0.01 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.42 1r6p h ALA 7 Cb 1.48 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.24 1r6p h ALA 7 CO 0.08 0.30 -1.29 0.00 0.00 0.00 0.00 179.25 178.35 1r6p h ALA 8 N 1.76 0.07 0.00 0.00 0.00 -1.42 -3.25 119.26 116.41 1r6p h ALA 8 Ca -0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 54.91 53.92 1r6p h ALA 8 Cb 0.61 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1r6p h ALA 8 CO 0.03 0.71 -0.12 -0.24 0.00 0.00 0.00 179.25 179.63 1r6p h VAL 9 N -0.25 0.49 0.00 0.00 3.04 -1.51 0.19 116.25 118.21 1r6p h VAL 9 Ca -0.26 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1r6p h VAL 9 Cb 1.80 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 32.46 1r6p h VAL 9 CO 0.11 0.11 -0.13 1.05 -1.01 0.00 0.00 177.57 177.71 1r6p h GLU 10 N 0.00 0.00 -0.12 4.17 4.11 -1.54 -3.33 114.58 117.87 1r6p h GLU 10 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1r6p h GLU 10 Cb 0.37 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.34 1r6p h GLU 10 CO 0.02 0.00 -0.87 0.00 0.07 0.00 0.00 179.01 178.22 1r6p n GLN 11 N -3.03 1.00 -1.29 1.06 10.64 -0.78 -5.10 117.38 119.89 1r6p n GLN 11 Ca 0.04 -2.77 -0.30 0.00 -1.83 0.00 0.00 57.00 52.14 1r6p n GLN 11 Cb 0.53 -0.88 0.21 0.00 -0.86 0.00 0.00 30.24 29.24 1r6p n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1r6p s LEU 12 N -1.77 1.32 0.58 2.61 0.05 0.60 -4.99 118.68 117.07 1r6p s LEU 12 Ca 0.36 0.70 -0.05 0.00 0.05 0.00 0.00 54.13 55.19 1r6p s LEU 12 Cb 0.38 -2.63 0.01 0.00 -2.05 0.00 0.00 46.19 41.90 1r6p s LEU 12 CO -0.11 -3.56 0.87 0.42 -0.55 0.00 0.00 176.35 173.43 1r6p s THR 13 N -3.17 3.53 0.32 5.48 -4.23 -1.26 -4.97 115.64 111.34 1r6p s THR 13 Ca 0.70 -0.13 0.08 0.00 -1.18 0.00 0.00 61.69 61.16 1r6p s THR 13 Cb -0.11 -3.39 0.06 0.00 1.34 0.00 0.00 72.50 70.40 1r6p s THR 13 CO 0.55 -0.38 1.75 0.44 -0.54 0.00 0.00 174.62 176.44 1r6p h ASP 14 N -0.11 0.19 0.56 3.99 3.32 -2.00 -2.23 116.42 120.14 1r6p h ASP 14 Ca -0.45 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.41 1r6p h ASP 14 Cb 1.26 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 1r6p h ASP 14 CO 0.60 0.55 -0.56 -0.33 -1.72 0.00 0.00 179.24 177.78 1r6p h GLU 15 N 0.16 0.00 -0.18 3.56 5.08 -1.98 -2.17 114.58 119.05 1r6p h GLU 15 Ca 0.02 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 1r6p h GLU 15 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1r6p h GLU 15 CO 0.06 0.56 -0.40 0.37 -1.00 0.00 0.00 179.01 178.59 1r6p h GLN 16 N 0.00 0.60 -0.52 2.33 4.15 -1.83 0.24 115.11 120.08 1r6p h GLN 16 Ca -0.01 -0.39 -0.02 0.00 0.77 0.00 0.00 58.65 59.00 1r6p h GLN 16 Cb 0.99 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.71 1r6p h GLN 16 CO 0.07 1.01 0.25 0.87 -1.93 0.00 0.00 178.83 179.10 1r6p h LYS 17 N 0.26 0.75 0.00 1.69 1.57 -1.34 -2.56 116.57 116.94 1r6p h LYS 17 Ca 0.00 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1r6p h LYS 17 Cb 1.00 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 1r6p h LYS 17 CO 0.09 0.62 -0.58 -0.91 -0.57 0.00 0.00 179.45 178.10 1r6p h ASN 18 N 0.70 0.00 -0.36 0.86 2.35 -1.39 -0.93 115.58 116.80 1r6p h ASN 18 Ca 0.18 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 1r6p h ASN 18 Cb 0.12 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.42 1r6p h ASN 18 CO -0.02 0.58 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.17 1r6p h GLU 19 N 0.00 -0.00 0.08 0.81 4.57 -0.09 0.22 114.58 120.17 1r6p h GLU 19 Ca -0.01 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.88 1r6p h GLU 19 Cb 1.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 1r6p h GLU 19 CO 0.08 -0.00 -1.59 0.74 -1.18 0.00 0.00 179.01 177.05 1r6p h PHE 20 N -0.00 0.30 -0.93 0.92 0.04 -1.59 -3.38 116.94 112.31 1r6p h PHE 20 Ca 0.17 -0.22 0.14 0.00 2.80 0.00 0.00 57.97 60.86 1r6p h PHE 20 Cb 0.26 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 38.32 1r6p h PHE 20 CO -0.33 1.63 0.59 -0.22 -0.60 0.00 0.00 178.31 179.38 1r6p h LYS 21 N -0.40 0.74 -0.19 1.51 3.11 -1.15 0.44 116.57 120.64 1r6p h LYS 21 Ca -0.37 -0.04 0.05 0.00 -2.81 0.00 0.00 60.65 57.48 1r6p h LYS 21 Cb 1.71 -0.17 -0.05 0.00 -1.00 0.00 0.00 32.23 32.73 1r6p h LYS 21 CO -0.02 0.49 -0.12 0.00 -2.81 0.00 0.00 179.45 176.99 1r6p h ALA 22 N 1.59 0.03 -0.17 5.00 0.00 -1.12 0.77 119.26 125.36 1r6p h ALA 22 Ca 0.47 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.31 1r6p h ALA 22 Cb 0.70 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1r6p h ALA 22 CO -0.24 -0.55 -0.52 0.00 0.00 0.00 0.00 179.25 177.94 1r6p h ALA 23 N 1.04 0.77 -0.21 0.00 0.00 -1.48 -3.04 119.26 116.34 1r6p h ALA 23 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1r6p h ALA 23 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1r6p h ALA 23 CO -0.26 0.68 0.13 0.35 0.00 0.00 0.00 179.25 180.15 1r6p h PHE 24 N 0.38 0.26 -0.82 0.00 3.04 0.91 0.96 116.94 121.67 1r6p h PHE 24 Ca 0.01 0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.98 1r6p h PHE 24 Cb 1.04 -0.09 -0.04 0.00 2.56 0.00 0.00 35.95 39.42 1r6p h PHE 24 CO 0.04 0.18 0.54 0.22 -2.02 0.00 0.00 178.31 177.27 1r6p h ASP 25 N 0.27 0.93 0.25 0.41 1.82 0.56 -0.04 116.42 120.62 1r6p h ASP 25 Ca 0.08 -0.02 -0.32 0.00 -0.39 0.00 0.00 57.03 56.37 1r6p h ASP 25 Cb -0.01 -0.23 0.03 0.00 0.68 0.00 0.00 39.33 39.80 1r6p h ASP 25 CO -0.02 0.66 -1.40 0.16 -1.61 0.00 0.00 179.24 177.04 1r6p h ILE 26 N 1.09 1.30 -0.28 2.25 3.07 -1.38 -2.32 117.51 121.24 1r6p h ILE 26 Ca 0.31 -2.66 -0.13 0.00 1.55 0.00 0.00 64.86 63.92 1r6p h ILE 26 Cb -0.09 2.94 -0.01 0.00 -0.27 0.00 0.00 36.82 39.39 1r6p h ILE 26 CO -0.07 0.80 -0.37 -0.26 -1.05 0.00 0.00 178.15 177.20 1r6p h PHE 27 N 0.18 0.74 -0.28 0.16 0.04 -0.66 -2.80 116.94 114.32 1r6p h PHE 27 Ca -0.23 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1r6p h PHE 27 Cb 2.09 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 40.08 1r6p h PHE 27 CO 0.12 0.90 0.00 0.44 -0.60 0.00 0.00 178.31 179.18 1r6p n ILE 28 N -4.05 0.37 -0.30 -0.55 -6.64 -0.04 -4.37 119.36 103.77 1r6p n ILE 28 Ca -0.01 -0.49 0.12 0.00 -1.77 0.00 0.00 62.75 60.59 1r6p n ILE 28 Cb 0.50 0.48 0.28 0.00 -1.44 0.00 0.00 39.64 39.46 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 -1.77 0.00 0.00 176.55 174.17 1r6p h GLN 29 N 2.77 0.38 -0.76 6.28 5.75 -1.13 0.25 115.11 128.65 1r6p h GLN 29 Ca 0.00 -0.02 -0.31 0.00 -0.15 0.00 0.00 58.65 58.17 1r6p h GLN 29 Cb 0.61 -0.08 -0.18 0.00 1.07 0.00 0.00 27.48 28.90 1r6p h GLN 29 CO 0.00 0.25 0.35 -0.40 -2.65 0.00 0.00 178.83 176.38 1r6p n ASP 30 N -5.06 4.11 -4.92 -0.69 5.75 -1.26 -4.97 116.55 109.51 1r6p n ASP 30 Ca 0.20 -3.42 -0.30 0.00 -0.01 0.00 0.00 54.79 51.26 1r6p n ASP 30 Cb 0.61 -0.75 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r6p s ALA 31 N -3.13 3.99 -0.38 2.12 0.00 0.88 -5.03 121.76 120.21 1r6p s ALA 31 Ca 0.54 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.70 1r6p s ALA 31 Cb 0.45 -1.84 0.44 0.00 0.00 0.00 0.00 23.12 22.16 1r6p s ALA 31 CO 0.11 0.77 1.19 0.39 0.00 0.00 0.00 175.76 178.22 1r6p n GLU 32 N 0.14 3.49 0.00 0.00 1.02 -1.26 -4.70 120.64 119.32 1r6p n GLU 32 Ca -0.05 -4.29 0.00 0.00 -0.02 0.00 0.00 57.16 52.80 1r6p n GLU 32 Cb 0.52 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1r6p n ASP 33 N -0.61 0.00 0.00 1.62 2.03 -1.26 -5.07 116.55 113.27 1r6p n ASP 33 Ca 0.42 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.73 1r6p n ASP 33 Cb 0.80 0.30 0.00 0.00 -0.72 0.00 0.00 41.12 41.50 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1r6p n GLY 34 N -0.88 0.98 3.18 0.27 0.00 -1.26 -5.15 105.19 102.33 1r6p n GLY 34 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1r6p n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r6p s ILE 36 N -0.62 2.84 -0.55 0.00 -5.25 -0.31 -4.68 121.20 112.63 1r6p s ILE 36 Ca -0.07 -0.11 -0.25 0.00 -0.99 0.00 0.00 60.65 59.22 1r6p s ILE 36 Cb -0.04 -3.19 0.04 0.00 2.95 0.00 0.00 42.46 42.21 1r6p s ILE 36 CO 0.02 -0.21 1.00 -0.55 -1.79 0.00 0.00 174.94 173.41 1r6p s SER 37 N -4.43 6.39 0.47 4.36 0.15 -1.26 -1.19 113.70 118.18 1r6p s SER 37 Ca 0.58 -0.17 0.14 0.00 0.70 0.00 0.00 55.95 57.20 1r6p s SER 37 Cb -0.11 -2.47 1.11 0.00 -1.71 0.00 0.00 66.02 62.85 1r6p s SER 37 CO 0.45 -1.27 2.06 0.00 1.20 0.00 0.00 173.24 175.68 1r6p h THR 38 N 6.06 0.96 0.00 6.45 1.03 -1.88 0.16 112.91 125.70 1r6p h THR 38 Ca -0.26 -0.09 -0.08 0.00 -0.01 0.00 0.00 66.41 65.97 1r6p h THR 38 Cb 1.07 0.67 -0.01 0.00 -1.07 0.00 0.00 68.15 68.81 1r6p h THR 38 CO 1.11 0.05 -0.38 0.11 -0.01 0.00 0.00 175.52 176.39 1r6p h LYS 39 N 0.26 0.00 -0.63 0.00 1.79 -1.90 -2.70 116.57 113.40 1r6p h LYS 39 Ca 0.15 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.41 1r6p h LYS 39 Cb 0.28 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.80 1r6p h LYS 39 CO -0.03 0.38 0.21 0.39 -1.08 0.00 0.00 179.45 179.33 1r6p n GLU 40 N -3.74 3.09 0.00 3.15 -0.58 0.49 -4.53 120.64 118.51 1r6p n GLU 40 Ca -0.01 -3.06 0.07 0.00 -0.42 0.00 0.00 57.16 53.74 1r6p n GLU 40 Cb 0.46 -2.08 0.35 0.00 -0.57 0.00 0.00 31.44 29.60 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1r6p n LEU 41 N -0.51 0.00 -0.30 -4.62 0.00 -0.67 -3.00 117.00 107.90 1r6p n LEU 41 Ca 0.39 0.42 0.03 0.00 0.00 0.00 0.00 56.01 56.85 1r6p n LEU 41 Cb 1.29 -0.42 0.23 0.00 0.00 0.00 0.00 43.42 44.52 1r6p n LEU 41 CO 0.37 -0.20 1.25 1.23 0.00 0.00 0.00 177.39 180.04 1r6p h GLY 42 N 2.61 1.30 2.00 -3.96 0.00 -1.84 0.18 103.07 103.36 1r6p h GLY 42 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1r6p h GLY 42 CO 0.00 0.33 -0.03 1.70 0.00 0.00 0.00 176.54 178.53 1r6p h LYS 43 N 1.06 0.00 0.00 4.80 1.63 -1.93 -2.53 116.57 119.60 1r6p h LYS 43 Ca 0.38 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.08 1r6p h LYS 43 Cb 0.14 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1r6p h LYS 43 CO -0.13 0.03 -0.54 0.28 -3.45 0.00 0.00 179.45 175.64 1r6p h VAL 44 N 0.00 1.28 -0.72 2.00 2.07 -0.97 -3.27 116.25 116.64 1r6p h VAL 44 Ca -0.00 -2.16 0.11 0.00 0.82 0.00 0.00 66.70 65.46 1r6p h VAL 44 Cb 0.51 2.62 -0.08 0.00 -1.52 0.00 0.00 31.29 32.82 1r6p h VAL 44 CO 0.00 0.43 0.34 0.24 0.02 0.00 0.00 177.57 178.61 1r6p h MET 45 N -1.00 0.54 -0.41 1.57 2.86 -0.76 0.13 114.93 117.86 1r6p h MET 45 Ca -0.15 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1r6p h MET 45 Cb 1.06 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1r6p h MET 45 CO -0.09 0.36 0.24 0.07 1.06 0.00 0.00 176.91 178.55 1r6p h ARG 46 N 0.56 0.55 0.00 1.72 0.11 -1.05 -0.75 114.38 115.53 1r6p h ARG 46 Ca 0.37 -0.04 -0.13 0.00 0.10 0.00 0.00 59.98 60.27 1r6p h ARG 46 Cb 0.44 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 31.38 1r6p h ARG 46 CO -0.30 0.40 -0.62 0.52 0.10 0.00 0.00 179.97 180.06 1r6p h MET 47 N 0.56 0.00 0.00 0.08 2.86 -1.04 -3.18 114.93 114.22 1r6p h MET 47 Ca 0.15 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.67 1r6p h MET 47 Cb -0.01 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1r6p h MET 47 CO -0.03 0.62 -0.58 -0.07 1.06 0.00 0.00 176.91 177.91 1r6p h LEU 48 N 0.00 0.00 0.00 1.22 4.07 0.26 -3.47 115.31 117.39 1r6p h LEU 48 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1r6p h LEU 48 Cb 1.39 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.13 1r6p h LEU 48 CO 0.08 0.58 0.00 0.61 -1.08 0.00 0.00 178.44 178.63 1r6p n GLY 49 N 0.56 1.48 3.52 0.83 0.00 -0.56 -5.09 105.19 105.94 1r6p n GLY 49 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1r6p n GLY 49 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1r6p s GLN 50 N -0.16 0.85 -0.51 1.61 -2.07 -0.40 -5.03 119.66 113.96 1r6p s GLN 50 Ca 0.00 0.61 0.03 0.00 -1.82 0.00 0.00 55.36 54.19 1r6p s GLN 50 Cb 0.00 0.41 0.16 0.00 -1.09 0.00 0.00 33.01 32.48 1r6p s GLN 50 CO 0.00 -0.17 0.35 1.21 -1.32 0.00 0.00 175.29 175.35 1r6p s ASN 51 N -0.28 3.26 0.00 12.60 2.47 -1.26 -2.34 114.94 129.39 1r6p s ASN 51 Ca -0.05 -3.12 0.00 0.00 0.42 0.00 0.00 52.86 50.12 1r6p s ASN 51 Cb -0.03 -1.00 0.00 0.00 -1.45 0.00 0.00 41.25 38.77 1r6p s ASN 51 CO 0.04 -0.18 0.00 -0.81 -3.72 0.00 0.00 177.10 172.43 1r6p n PRO 52 N 2.87 1.33 -3.21 0.43 -0.04 -1.26 -5.11 135.00 130.00 1r6p n PRO 52 Ca 0.19 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.45 1r6p n PRO 52 Cb 0.39 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.88 1r6p n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r6p s THR 53 N 0.30 2.39 0.21 0.52 -4.23 -1.26 -4.95 115.64 108.61 1r6p s THR 53 Ca 0.00 -1.11 0.11 0.00 -1.18 0.00 0.00 61.69 59.51 1r6p s THR 53 Cb 0.00 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 1r6p s THR 53 CO 0.00 0.00 1.55 1.55 -0.54 0.00 0.00 174.62 177.18 1r6p h PRO 54 N 0.50 0.00 0.00 3.99 0.13 -1.99 -1.64 132.00 132.99 1r6p h PRO 54 Ca -0.35 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.59 1r6p h PRO 54 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1r6p h PRO 54 CO 0.46 0.66 -0.98 1.05 -0.23 0.00 0.00 178.00 178.97 1r6p h GLU 55 N 0.00 0.00 -0.00 0.86 4.11 -1.99 -2.95 114.58 114.60 1r6p h GLU 55 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1r6p h GLU 55 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1r6p h GLU 55 CO 0.09 0.79 -0.04 0.93 0.07 0.00 0.00 179.01 180.84 1r6p h GLU 56 N 0.00 0.03 -0.98 1.06 4.39 -1.93 -2.57 114.58 114.58 1r6p h GLU 56 Ca -0.05 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1r6p h GLU 56 Cb 1.69 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 30.30 1r6p h GLU 56 CO 0.10 0.77 0.65 1.37 -1.16 0.00 0.00 179.01 180.74 1r6p h LEU 57 N -0.69 1.13 -1.13 1.33 8.10 -1.43 -1.57 115.31 121.06 1r6p h LEU 57 Ca -0.00 -0.03 -0.05 0.00 0.11 0.00 0.00 57.88 57.90 1r6p h LEU 57 Cb 0.78 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.70 1r6p h LEU 57 CO 0.01 0.82 0.02 1.56 -4.11 0.00 0.00 178.44 176.74 1r6p h GLN 58 N 1.33 0.63 -0.19 0.17 1.08 -1.58 -1.43 115.11 115.12 1r6p h GLN 58 Ca 0.36 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 57.33 1r6p h GLN 58 Cb -0.15 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.18 1r6p h GLN 58 CO -0.08 0.64 -0.28 0.93 -0.95 0.00 0.00 178.83 179.09 1r6p h GLU 59 N 0.61 0.37 -0.11 1.46 4.39 -0.88 0.29 114.58 120.70 1r6p h GLU 59 Ca 0.13 -0.14 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1r6p h GLU 59 Cb 0.35 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1r6p h GLU 59 CO 0.01 0.62 -0.35 0.52 -1.16 0.00 0.00 179.01 178.65 1r6p h MET 60 N 0.33 0.43 -0.13 2.33 2.86 -0.80 -2.74 114.93 117.20 1r6p h MET 60 Ca 0.05 -0.32 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 1r6p h MET 60 Cb 0.66 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1r6p h MET 60 CO 0.05 0.94 -0.07 0.82 1.06 0.00 0.00 176.91 179.71 1r6p h ILE 61 N 0.01 1.32 -0.90 -1.22 2.04 -1.18 -2.58 117.51 115.00 1r6p h ILE 61 Ca -0.01 -1.12 0.17 0.00 1.00 0.00 0.00 64.86 64.90 1r6p h ILE 61 Cb 0.98 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 38.76 1r6p h ILE 61 CO 0.08 0.33 0.58 -0.78 0.00 0.00 0.00 178.15 178.35 1r6p h ASP 62 N -0.06 0.57 0.04 1.72 3.58 -0.49 0.79 116.42 122.56 1r6p h ASP 62 Ca 0.03 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.52 1r6p h ASP 62 Cb 0.54 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.53 1r6p h ASP 62 CO 0.02 0.26 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.29 1r6p h GLU 63 N 0.59 -0.05 -0.16 0.28 4.39 -1.36 -3.27 114.58 115.00 1r6p h GLU 63 Ca 0.47 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.04 1r6p h GLU 63 Cb 0.91 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.56 1r6p h GLU 63 CO -0.21 0.43 -0.46 -0.24 -1.16 0.00 0.00 179.01 177.37 1r6p h VAL 64 N -0.54 1.32 -2.95 3.13 3.04 -0.97 -3.41 116.25 115.86 1r6p h VAL 64 Ca -0.00 -1.65 -0.56 0.00 -1.01 0.00 0.00 66.70 63.47 1r6p h VAL 64 Cb 0.50 1.70 -0.04 0.00 -2.01 0.00 0.00 31.29 31.43 1r6p h VAL 64 CO 0.01 0.51 1.16 -0.62 -1.01 0.00 0.00 177.57 177.61 1r6p s ASP 65 N -6.88 6.10 0.07 3.17 -1.08 0.27 -4.86 116.67 113.46 1r6p s ASP 65 Ca -0.06 0.91 -0.15 0.00 -0.52 0.00 0.00 52.55 52.73 1r6p s ASP 65 Cb 0.12 -2.54 -0.19 0.00 -1.46 0.00 0.00 42.92 38.86 1r6p s ASP 65 CO 0.80 -1.61 1.23 -0.33 0.52 0.00 0.00 175.17 175.79 1r6p h GLU 66 N 11.72 0.67 0.17 4.34 5.08 -1.83 -3.33 114.58 131.41 1r6p h GLU 66 Ca -0.29 -0.61 -0.33 0.00 -1.00 0.00 0.00 59.36 57.12 1r6p h GLU 66 Cb 1.13 0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1r6p h GLU 66 CO 1.08 1.22 -1.65 0.38 -1.00 0.00 0.00 179.01 179.05 1r6p h ASP 67 N 0.34 0.57 -3.51 1.42 2.03 -1.95 -3.49 116.42 111.84 1r6p h ASP 67 Ca -0.07 -0.79 -0.14 0.00 -0.73 0.00 0.00 57.03 55.30 1r6p h ASP 67 Cb 1.43 -0.19 0.07 0.00 -0.83 0.00 0.00 39.33 39.81 1r6p h ASP 67 CO 0.16 1.66 -0.32 0.61 -1.03 0.00 0.00 179.24 180.32 1r6p n GLY 68 N 1.78 0.11 0.51 7.15 0.00 -1.25 -4.94 105.19 108.55 1r6p n GLY 68 Ca -0.21 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.61 1r6p n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r6p n SER 69 N -1.88 1.47 -1.03 1.61 3.41 -1.26 -4.88 113.62 111.06 1r6p n SER 69 Ca -0.12 -2.03 -0.10 0.00 -0.26 0.00 0.00 58.87 56.36 1r6p n SER 69 Cb 0.57 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 1r6p n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r6p n GLY 70 N 0.84 0.31 3.36 5.00 0.00 -1.26 -5.01 105.19 108.44 1r6p n GLY 70 Ca 0.09 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1r6p n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r6p s THR 71 N -2.46 -0.00 -0.24 2.61 -4.23 -1.26 -3.52 115.64 106.53 1r6p s THR 71 Ca 0.00 0.01 -0.15 0.00 -1.18 0.00 0.00 61.69 60.37 1r6p s THR 71 Cb 0.00 -0.66 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 1r6p s THR 71 CO 0.00 0.00 0.37 -0.69 -0.54 0.00 0.00 174.62 173.76 1r6p s VAL 72 N 0.37 5.20 0.64 2.29 1.01 -0.33 -4.83 120.40 124.74 1r6p s VAL 72 Ca -0.01 0.59 -0.09 0.00 0.00 0.00 0.00 61.98 62.47 1r6p s VAL 72 Cb -0.04 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.66 1r6p s VAL 72 CO -0.01 0.20 0.99 -1.81 0.00 0.00 0.00 175.10 174.48 1r6p s ASP 73 N 1.39 5.54 0.41 3.32 1.11 -1.26 -1.16 116.67 126.03 1r6p s ASP 73 Ca 0.16 0.92 0.07 0.00 0.18 0.00 0.00 52.55 53.88 1r6p s ASP 73 Cb -0.15 -1.83 0.87 0.00 1.07 0.00 0.00 42.92 42.88 1r6p s ASP 73 CO 0.09 -1.18 2.05 0.15 1.18 0.00 0.00 175.17 177.46 1r6p h PHE 74 N -0.40 0.52 -0.31 4.23 3.57 -1.98 0.66 116.94 123.23 1r6p h PHE 74 Ca -0.45 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 60.99 1r6p h PHE 74 Cb 1.25 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1r6p h PHE 74 CO 0.49 0.32 -0.09 0.22 -2.23 0.00 0.00 178.31 177.02 1r6p h ASP 75 N 0.55 0.62 0.65 0.41 3.58 -1.97 -1.05 116.42 119.22 1r6p h ASP 75 Ca 0.16 -0.37 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 1r6p h ASP 75 Cb -0.01 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 1r6p h ASP 75 CO -0.04 0.85 -0.34 -0.33 -2.88 0.00 0.00 179.24 176.50 1r6p h GLU 76 N 0.38 0.00 0.18 0.28 5.08 -1.63 -0.89 114.58 117.99 1r6p h GLU 76 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1r6p h GLU 76 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1r6p h GLU 76 CO 0.03 0.34 -0.09 0.35 -1.00 0.00 0.00 179.01 178.65 1r6p h PHE 77 N 0.00 -0.22 -0.05 4.33 3.57 0.62 -2.34 116.94 122.85 1r6p h PHE 77 Ca -0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 1r6p h PHE 77 Cb 0.75 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1r6p h PHE 77 CO 0.00 0.16 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.72 1r6p h LEU 78 N -0.69 0.12 0.01 0.59 4.07 -1.17 -3.13 115.31 115.11 1r6p h LEU 78 Ca -0.02 -0.05 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 1r6p h LEU 78 Cb 0.49 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1r6p h LEU 78 CO 0.04 0.57 -0.00 0.58 -1.08 0.00 0.00 178.44 178.54 1r6p h VAL 79 N 0.10 1.09 -1.40 1.22 2.07 -1.17 -2.62 116.25 115.54 1r6p h VAL 79 Ca 0.00 -0.30 0.42 0.00 0.82 0.00 0.00 66.70 67.64 1r6p h VAL 79 Cb 0.84 1.30 -0.09 0.00 -1.52 0.00 0.00 31.29 31.82 1r6p h VAL 79 CO 0.06 0.08 0.96 -0.03 0.02 0.00 0.00 177.57 178.66 1r6p h MET 80 N -0.14 0.09 0.52 1.57 -1.53 -1.36 0.28 114.93 114.36 1r6p h MET 80 Ca -0.00 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.23 1r6p h MET 80 Cb 0.13 -0.02 0.01 0.00 -0.55 0.00 0.00 31.60 31.17 1r6p h MET 80 CO 0.00 0.06 -0.25 1.98 0.14 0.00 0.00 176.91 178.84 1r6p h MET 81 N 0.09 -0.67 0.00 0.39 -1.53 -1.56 -3.02 114.93 108.63 1r6p h MET 81 Ca 0.75 0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 57.04 1r6p h MET 81 Cb 2.62 0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 33.82 1r6p h MET 81 CO -0.21 -0.38 -0.10 -0.39 0.14 0.00 0.00 176.91 175.97 1r6p h VAL 82 N -1.06 1.04 -0.89 -5.77 -1.51 -1.05 -2.01 116.25 104.99 1r6p h VAL 82 Ca -0.07 -0.35 0.09 0.00 -1.23 0.00 0.00 66.70 65.14 1r6p h VAL 82 Cb 0.61 1.19 -0.06 0.00 -2.13 0.00 0.00 31.29 30.89 1r6p h VAL 82 CO 0.12 0.10 0.58 0.03 -1.23 0.00 0.00 177.57 177.16 1r6p h ARG 83 N 0.00 0.89 -0.44 5.19 2.47 -0.49 0.24 114.38 122.23 1r6p h ARG 83 Ca -0.00 -0.05 -0.06 0.00 -1.26 0.00 0.00 59.98 58.61 1r6p h ARG 83 Cb 0.18 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1r6p h ARG 83 CO 0.01 0.59 0.04 0.00 0.56 0.00 0.00 179.97 181.17 1r6p h MET 85 N 0.61 0.43 -1.67 0.00 1.85 -1.22 -3.50 114.93 111.43 1r6p h MET 85 Ca 0.13 -0.12 0.14 0.00 -0.61 0.00 0.00 59.70 59.24 1r6p h MET 85 Cb 0.43 -0.05 -0.08 0.00 0.43 0.00 0.00 31.60 32.33 1r6p h MET 85 CO 0.01 0.57 -0.59 1.17 -0.40 0.00 0.00 176.91 177.68 1r6p n LYS 86 N -4.66 -1.63 -0.33 0.39 3.00 0.74 -4.58 118.16 111.09 1r6p n LYS 86 Ca -0.03 1.33 -0.04 0.00 -0.00 0.00 0.00 58.31 59.57 1r6p n LYS 86 Cb 0.22 -1.85 0.09 0.00 0.00 0.00 0.00 35.03 33.48 1r6p n LYS 86 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1r6p h ASP 87 N -0.58 1.06 -4.14 3.14 3.58 -1.91 -3.49 116.42 114.09 1r6p h ASP 87 Ca -0.08 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.30 1r6p h ASP 87 Cb 0.63 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 41.36 1r6p h ASP 87 CO 0.03 0.82 -0.82 -0.67 -2.88 0.00 0.00 179.24 175.72 1r6p n ASP 88 N -4.40 -3.32 0.00 2.28 2.03 -1.26 -5.17 116.55 106.70 1r6p n ASP 88 Ca 0.09 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.36 1r6p n ASP 88 Cb 0.06 -3.59 0.00 0.00 -0.72 0.00 0.00 41.12 36.87 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04