#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 -6.75 -1.59 7.83 5.03 -1.26 -4.94 115.26 113.57 1r6p n ASN 2 Ca 0.00 1.17 0.08 0.00 0.87 0.00 0.00 54.58 56.71 1r6p n ASN 2 Cb 0.00 -4.54 0.36 0.00 -1.02 0.00 0.00 39.78 34.58 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1r6p n ASP 3 N 0.60 5.00 0.06 6.41 9.92 -1.26 -4.33 116.55 132.94 1r6p n ASP 3 Ca -0.01 -2.70 -0.05 0.00 -0.53 0.00 0.00 54.79 51.50 1r6p n ASP 3 Cb 0.01 -0.61 -0.09 0.00 -0.64 0.00 0.00 41.12 39.80 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1r6p h ILE 4 N 3.70 1.38 -0.25 0.53 -0.00 -2.00 -3.16 117.51 117.71 1r6p h ILE 4 Ca 0.00 -3.03 -0.10 0.00 -0.00 0.00 0.00 64.86 61.73 1r6p h ILE 4 Cb 1.64 2.67 -0.01 0.00 -0.00 0.00 0.00 36.82 41.12 1r6p h ILE 4 CO 0.33 0.79 -0.26 1.88 -0.00 0.00 0.00 178.15 180.88 1r6p h TYR 5 N 0.00 0.55 -0.10 0.16 0.05 -1.98 -2.08 116.97 113.58 1r6p h TYR 5 Ca -0.05 -0.12 -0.14 0.00 0.05 0.00 0.00 58.73 58.47 1r6p h TYR 5 Cb 1.72 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 39.31 1r6p h TYR 5 CO 0.00 0.71 -0.55 -0.22 -1.05 0.00 0.00 178.16 177.05 1r6p h LYS 6 N 0.43 0.29 0.00 4.88 1.63 -1.85 -1.05 116.57 120.91 1r6p h LYS 6 Ca 0.06 -0.18 -0.06 0.00 -0.85 0.00 0.00 60.65 59.62 1r6p h LYS 6 Cb 0.69 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.33 1r6p h LYS 6 CO 0.05 0.77 -0.29 0.00 -3.45 0.00 0.00 179.45 176.53 1r6p h ALA 7 N 1.19 0.96 0.14 5.00 0.00 -1.45 -2.88 119.26 122.22 1r6p h ALA 7 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.35 1r6p h ALA 7 Cb 1.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1r6p h ALA 7 CO 0.09 0.37 -1.46 0.00 0.00 0.00 0.00 179.25 178.25 1r6p h ALA 8 N 1.71 0.14 0.00 0.00 0.00 -1.14 -3.33 119.26 116.64 1r6p h ALA 8 Ca -0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 1r6p h ALA 8 Cb 0.89 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1r6p h ALA 8 CO 0.04 0.84 -0.09 -0.24 0.00 0.00 0.00 179.25 179.79 1r6p h VAL 9 N -0.19 0.85 0.00 0.00 3.04 -1.22 -1.01 116.25 117.72 1r6p h VAL 9 Ca -0.30 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1r6p h VAL 9 Cb 1.85 1.19 0.00 0.00 -2.01 0.00 0.00 31.29 32.33 1r6p h VAL 9 CO 0.11 0.09 0.00 1.05 -1.01 0.00 0.00 177.57 177.80 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.63 -2.98 114.58 118.25 1r6p h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1r6p h GLU 10 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1r6p h GLU 10 CO 0.01 0.00 -0.55 1.96 0.07 0.00 0.00 179.01 180.51 1r6p h GLN 11 N 0.00 0.00 -6.27 1.06 4.20 -1.29 -3.47 115.11 109.34 1r6p h GLN 11 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 1r6p h GLN 11 Cb 0.70 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.60 1r6p h GLN 11 CO 0.00 0.00 -0.24 1.28 -0.67 0.00 0.00 178.83 179.20 1r6p n LEU 12 N -2.74 0.23 -4.93 1.46 4.77 -1.13 -4.97 117.00 109.68 1r6p n LEU 12 Ca 0.02 1.10 -0.28 0.00 -0.03 0.00 0.00 56.01 56.82 1r6p n LEU 12 Cb 0.52 -1.12 0.13 0.00 -2.33 0.00 0.00 43.42 40.62 1r6p n LEU 12 CO 0.37 -2.34 0.75 0.42 -1.33 0.00 0.00 177.39 175.27 1r6p s THR 13 N -1.14 2.08 0.27 -5.08 -4.23 -1.26 -4.88 115.64 101.39 1r6p s THR 13 Ca 0.61 -0.15 0.09 0.00 -1.18 0.00 0.00 61.69 61.06 1r6p s THR 13 Cb -0.76 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1r6p s THR 13 CO 0.58 0.00 1.61 0.44 -0.54 0.00 0.00 174.62 176.72 1r6p h ASP 14 N -1.13 0.10 0.11 3.99 3.32 -1.99 -1.54 116.42 119.27 1r6p h ASP 14 Ca -0.44 -0.05 -0.13 0.00 0.02 0.00 0.00 57.03 56.43 1r6p h ASP 14 Cb 1.28 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1r6p h ASP 14 CO 0.49 0.66 -0.45 1.05 -1.72 0.00 0.00 179.24 179.28 1r6p h GLU 15 N 0.06 0.41 0.04 3.56 4.11 -1.98 -0.79 114.58 120.00 1r6p h GLU 15 Ca -0.01 -0.22 -0.00 0.00 0.07 0.00 0.00 59.36 59.20 1r6p h GLU 15 Cb 1.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1r6p h GLU 15 CO 0.08 0.78 -0.02 0.37 0.07 0.00 0.00 179.01 180.29 1r6p h GLN 16 N 0.34 -0.06 -0.97 1.06 -0.00 -1.90 -1.91 115.11 111.67 1r6p h GLN 16 Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 58.65 58.80 1r6p h GLN 16 Cb 0.92 0.01 -0.09 0.00 0.00 0.00 0.00 27.48 28.33 1r6p h GLN 16 CO 0.08 0.58 0.60 0.87 0.00 0.00 0.00 178.83 180.96 1r6p h LYS 17 N -0.80 0.91 -0.16 1.69 1.57 -1.31 0.67 116.57 119.14 1r6p h LYS 17 Ca -0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1r6p h LYS 17 Cb 0.67 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1r6p h LYS 17 CO 0.01 0.60 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.26 1r6p h ASN 18 N 0.94 0.34 -0.28 0.86 4.21 -1.18 -0.48 115.58 119.98 1r6p h ASN 18 Ca 0.49 -0.12 0.06 0.00 1.21 0.00 0.00 56.30 57.94 1r6p h ASN 18 Cb 0.51 -0.09 -0.06 0.00 -1.12 0.00 0.00 38.32 37.56 1r6p h ASN 18 CO -0.28 0.65 -0.10 -0.08 -1.29 0.00 0.00 177.43 176.34 1r6p h GLU 19 N 0.29 -0.04 0.04 0.81 4.81 -0.02 0.14 114.58 120.61 1r6p h GLU 19 Ca 0.04 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 1r6p h GLU 19 Cb 0.72 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.12 1r6p h GLU 19 CO 0.05 -0.03 -0.57 0.74 -0.73 0.00 0.00 179.01 178.47 1r6p h PHE 20 N -0.05 0.49 -0.91 0.92 -1.00 -1.43 -3.29 116.94 111.68 1r6p h PHE 20 Ca 0.14 -0.30 0.20 0.00 2.81 0.00 0.00 57.97 60.82 1r6p h PHE 20 Cb 0.26 -0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.71 1r6p h PHE 20 CO -0.30 1.15 0.60 -0.22 -1.61 0.00 0.00 178.31 177.93 1r6p h LYS 21 N -0.30 0.44 0.38 1.51 3.11 -0.87 0.63 116.57 121.46 1r6p h LYS 21 Ca -0.08 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.71 1r6p h LYS 21 Cb 1.34 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 1r6p h LYS 21 CO 0.11 0.29 -0.18 0.00 -2.81 0.00 0.00 179.45 176.86 1r6p h ALA 22 N 1.61 -0.50 -0.22 5.00 0.00 -0.78 0.26 119.26 124.63 1r6p h ALA 22 Ca 0.48 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1r6p h ALA 22 Cb 1.11 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1r6p h ALA 22 CO -0.19 -0.75 -0.27 0.00 0.00 0.00 0.00 179.25 178.04 1r6p h ALA 23 N 0.04 1.14 -0.38 0.00 0.00 -1.36 -2.83 119.26 115.89 1r6p h ALA 23 Ca -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1r6p h ALA 23 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1r6p h ALA 23 CO 0.08 0.54 0.17 0.35 0.00 0.00 0.00 179.25 180.40 1r6p h PHE 24 N 0.37 0.55 -0.80 0.00 3.04 0.50 -0.41 116.94 120.20 1r6p h PHE 24 Ca 0.05 -0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 1r6p h PHE 24 Cb 0.66 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 1r6p h PHE 24 CO 0.02 0.48 0.47 0.22 -2.02 0.00 0.00 178.31 177.47 1r6p h ASP 25 N 0.47 0.97 -0.08 0.41 1.82 -0.29 0.08 116.42 119.80 1r6p h ASP 25 Ca 0.13 -0.08 -0.24 0.00 -0.39 0.00 0.00 57.03 56.45 1r6p h ASP 25 Cb 0.14 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 39.92 1r6p h ASP 25 CO -0.01 0.77 -0.86 0.16 -1.61 0.00 0.00 179.24 177.68 1r6p h ILE 26 N 1.10 1.28 -0.13 2.25 3.07 -1.35 -0.51 117.51 123.22 1r6p h ILE 26 Ca 0.28 -2.07 -0.14 0.00 1.55 0.00 0.00 64.86 64.49 1r6p h ILE 26 Cb -0.01 2.11 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 1r6p h ILE 26 CO -0.05 0.65 -0.52 -0.26 -1.05 0.00 0.00 178.15 176.91 1r6p h PHE 27 N 0.49 0.45 -0.21 0.16 0.04 -0.94 -2.97 116.94 113.96 1r6p h PHE 27 Ca -0.08 -0.15 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1r6p h PHE 27 Cb 1.50 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 39.56 1r6p h PHE 27 CO 0.09 0.81 0.00 0.44 -0.60 0.00 0.00 178.31 179.05 1r6p n ILE 28 N -3.95 0.25 -0.31 -0.55 -6.64 0.00 -4.41 119.36 103.76 1r6p n ILE 28 Ca -0.02 -0.53 0.11 0.00 -1.77 0.00 0.00 62.75 60.54 1r6p n ILE 28 Cb 0.57 0.87 0.28 0.00 -1.44 0.00 0.00 39.64 39.92 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 3.67 0.55 -0.59 6.28 4.15 -0.91 0.18 115.11 128.43 1r6p h GLN 29 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1r6p h GLN 29 Cb 0.80 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1r6p h GLN 29 CO 0.00 0.37 0.00 -3.47 -1.93 0.00 0.00 178.83 173.80 1r6p n ASP 30 N -4.91 5.19 -4.92 -0.69 2.03 -1.26 -4.96 116.55 107.02 1r6p n ASP 30 Ca 0.20 -2.71 -0.30 0.00 0.52 0.00 0.00 54.79 52.51 1r6p n ASP 30 Cb 0.55 -0.63 -0.04 0.00 -0.72 0.00 0.00 41.12 40.28 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r6p s ALA 31 N -2.33 3.98 -0.10 -1.67 0.00 0.61 -5.02 121.76 117.23 1r6p s ALA 31 Ca 0.52 -0.85 0.17 0.00 0.00 0.00 0.00 51.96 51.80 1r6p s ALA 31 Cb 0.37 -1.85 -0.25 0.00 0.00 0.00 0.00 23.12 21.39 1r6p s ALA 31 CO 0.20 0.74 0.22 0.39 0.00 0.00 0.00 175.76 177.31 1r6p n GLU 32 N 0.07 0.91 0.09 0.00 -0.58 -1.26 -4.50 120.64 115.37 1r6p n GLU 32 Ca -0.05 -0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.46 1r6p n GLU 32 Cb 0.52 -1.44 -0.14 0.00 -0.57 0.00 0.00 31.44 29.81 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1r6p h ASP 33 N 0.00 0.34 -0.26 1.62 3.32 -1.95 -3.48 116.42 116.00 1r6p h ASP 33 Ca -0.25 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.42 1r6p h ASP 33 Cb 1.50 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1r6p h ASP 33 CO 0.01 1.30 0.00 0.61 -1.72 0.00 0.00 179.24 179.44 1r6p n GLY 34 N 1.52 0.73 3.31 2.75 0.00 -1.26 -5.12 105.19 107.11 1r6p n GLY 34 Ca -0.08 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.01 2.73 -0.32 0.00 -5.25 -0.22 -4.62 121.20 111.51 1r6p s ILE 36 Ca -0.08 -0.30 -0.19 0.00 -0.99 0.00 0.00 60.65 59.09 1r6p s ILE 36 Cb -0.02 -3.12 -0.01 0.00 2.95 0.00 0.00 42.46 42.26 1r6p s ILE 36 CO 0.01 -0.12 0.55 -0.55 -1.79 0.00 0.00 174.94 173.04 1r6p s SER 37 N -4.44 6.39 0.28 4.36 0.15 -1.26 -0.83 113.70 118.35 1r6p s SER 37 Ca 0.58 0.22 -0.00 0.00 0.70 0.00 0.00 55.95 57.45 1r6p s SER 37 Cb -0.11 -2.29 0.50 0.00 -1.71 0.00 0.00 66.02 62.41 1r6p s SER 37 CO 0.43 -0.44 1.85 0.71 1.20 0.00 0.00 173.24 176.99 1r6p h THR 38 N 5.55 0.99 0.00 6.45 1.35 -1.70 0.24 112.91 125.79 1r6p h THR 38 Ca -0.28 -0.37 -0.03 0.00 -0.55 0.00 0.00 66.41 65.19 1r6p h THR 38 Cb 1.13 -0.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 1r6p h THR 38 CO 0.77 0.20 -0.13 0.07 -0.25 0.00 0.00 175.52 176.17 1r6p h LYS 39 N 1.07 0.00 -0.64 4.72 2.10 -1.93 -1.24 116.57 120.65 1r6p h LYS 39 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1r6p h LYS 39 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1r6p h LYS 39 CO -0.23 0.13 0.00 0.39 -2.00 0.00 0.00 179.45 177.74 1r6p n GLU 40 N -3.78 3.94 0.32 0.07 -0.58 0.73 -4.43 120.64 116.91 1r6p n GLU 40 Ca -0.02 -2.95 0.19 0.00 -0.42 0.00 0.00 57.16 53.97 1r6p n GLU 40 Cb 0.24 -1.96 1.06 0.00 -0.57 0.00 0.00 31.44 30.21 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1r6p h LEU 41 N 4.09 0.00 -1.56 -4.62 7.12 -0.12 -2.22 115.31 118.00 1r6p h LEU 41 Ca 0.00 0.00 0.16 0.00 0.13 0.00 0.00 57.88 58.17 1r6p h LEU 41 Cb 1.55 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.62 1r6p h LEU 41 CO 0.28 0.01 0.52 1.23 -0.13 0.00 0.00 178.44 180.35 1r6p h GLY 42 N 0.23 0.75 2.00 3.75 0.00 -1.81 0.81 103.07 108.80 1r6p h GLY 42 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1r6p h GLY 42 CO 0.00 0.05 -0.25 0.50 0.00 0.00 0.00 176.54 176.84 1r6p h LYS 43 N 0.43 0.00 0.06 4.80 1.57 -1.77 -2.24 116.57 119.42 1r6p h LYS 43 Ca 0.39 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.82 1r6p h LYS 43 Cb 0.89 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 1r6p h LYS 43 CO -0.13 0.25 -2.02 0.28 -0.57 0.00 0.00 179.45 177.26 1r6p n VAL 44 N -3.90 1.66 -0.28 0.50 0.31 0.91 -3.50 118.33 114.02 1r6p n VAL 44 Ca -0.02 -0.70 0.02 0.00 -0.01 0.00 0.00 64.34 63.64 1r6p n VAL 44 Cb 0.34 -1.39 0.16 0.00 -0.91 0.00 0.00 33.84 32.04 1r6p n VAL 44 CO 0.00 0.00 0.00 -0.03 -1.32 0.00 0.00 176.83 175.48 1r6p h MET 45 N 0.04 0.75 0.00 5.55 1.85 0.59 0.60 114.93 124.31 1r6p h MET 45 Ca -0.42 -0.04 -0.11 0.00 -0.61 0.00 0.00 59.70 58.51 1r6p h MET 45 Cb 2.03 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 33.87 1r6p h MET 45 CO 0.06 0.49 -0.53 0.07 -0.40 0.00 0.00 176.91 176.60 1r6p h ARG 46 N 0.77 0.00 0.01 0.39 0.11 -1.42 0.12 114.38 114.35 1r6p h ARG 46 Ca 0.39 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.27 1r6p h ARG 46 Cb 0.35 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.41 1r6p h ARG 46 CO -0.25 0.53 -0.93 0.52 0.10 0.00 0.00 179.97 179.94 1r6p h MET 47 N 0.00 0.06 0.00 0.08 2.86 -0.99 -3.21 114.93 113.72 1r6p h MET 47 Ca -0.01 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.42 1r6p h MET 47 Cb 1.06 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 1r6p h MET 47 CO 0.07 0.94 -0.66 -0.07 1.06 0.00 0.00 176.91 178.25 1r6p h LEU 48 N 0.03 0.00 0.00 1.22 4.07 0.20 -3.47 115.31 117.35 1r6p h LEU 48 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1r6p h LEU 48 Cb 1.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.36 1r6p h LEU 48 CO 0.13 0.66 0.00 0.61 -1.08 0.00 0.00 178.44 178.76 1r6p n GLY 49 N 0.41 1.99 3.40 0.83 0.00 -1.04 -5.10 105.19 105.68 1r6p n GLY 49 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 1r6p n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r6p s GLN 50 N -0.13 1.47 -0.45 1.61 -1.52 0.37 -5.02 119.66 115.99 1r6p s GLN 50 Ca 0.00 -1.72 0.07 0.00 -1.95 0.00 0.00 55.36 51.76 1r6p s GLN 50 Cb 0.00 -1.11 0.30 0.00 -0.22 0.00 0.00 33.01 31.98 1r6p s GLN 50 CO 0.00 0.08 0.97 -1.71 -0.25 0.00 0.00 175.29 174.37 1r6p n ASN 51 N -0.51 -1.87 -2.27 5.90 5.15 -1.26 -3.41 115.26 117.00 1r6p n ASN 51 Ca -0.06 -3.44 0.00 0.00 -0.60 0.00 0.00 54.58 50.48 1r6p n ASN 51 Cb 0.62 1.38 0.00 0.00 -0.53 0.00 0.00 39.78 41.25 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r6p n PRO 52 N 0.74 1.72 -2.91 1.20 -0.04 -1.26 -5.12 135.00 129.33 1r6p n PRO 52 Ca 0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 1r6p n PRO 52 Cb 0.67 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.19 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 0.52 2.29 0.11 0.52 -4.23 -1.26 -4.93 115.64 108.67 1r6p s THR 53 Ca 0.00 -0.90 0.17 0.00 -1.18 0.00 0.00 61.69 59.79 1r6p s THR 53 Cb 0.00 -2.39 0.10 0.00 1.34 0.00 0.00 72.50 71.54 1r6p s THR 53 CO 0.00 0.00 1.66 1.55 -0.54 0.00 0.00 174.62 177.29 1r6p h PRO 54 N 0.08 0.00 0.11 3.99 0.13 -1.99 -1.15 132.00 133.17 1r6p h PRO 54 Ca -0.33 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.53 1r6p h PRO 54 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.42 0.44 -1.25 0.93 -0.23 0.00 0.00 178.00 178.30 1r6p h GLU 55 N 0.00 0.23 -0.13 0.86 5.08 -1.99 -2.98 114.58 115.66 1r6p h GLU 55 Ca -0.00 -0.40 -0.15 0.00 -1.00 0.00 0.00 59.36 57.80 1r6p h GLU 55 Cb 1.03 0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.44 1r6p h GLU 55 CO 0.06 1.17 -0.51 1.49 -1.00 0.00 0.00 179.01 180.22 1r6p h GLU 56 N 0.06 0.57 -0.79 2.33 4.81 -1.93 -2.24 114.58 117.40 1r6p h GLU 56 Ca -0.13 -0.44 -0.03 0.00 -0.13 0.00 0.00 59.36 58.62 1r6p h GLU 56 Cb 1.95 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 31.38 1r6p h GLU 56 CO 0.19 1.07 0.36 1.37 -0.73 0.00 0.00 179.01 181.27 1r6p h LEU 57 N 0.20 1.05 -0.96 1.64 8.10 -1.32 -1.88 115.31 122.14 1r6p h LEU 57 Ca -0.03 -0.13 -0.08 0.00 0.11 0.00 0.00 57.88 57.75 1r6p h LEU 57 Cb 1.14 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 41.08 1r6p h LEU 57 CO 0.11 0.90 -0.39 1.56 -4.11 0.00 0.00 178.44 176.51 1r6p h GLN 58 N 1.13 0.00 -0.21 0.17 1.08 -1.54 -2.56 115.11 113.19 1r6p h GLN 58 Ca 0.27 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.40 1r6p h GLN 58 Cb 0.14 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1r6p h GLN 58 CO -0.03 0.39 -0.14 0.93 -0.95 0.00 0.00 178.83 179.02 1r6p h GLU 59 N 0.00 0.47 -0.03 1.46 5.08 -0.72 0.11 114.58 120.95 1r6p h GLU 59 Ca -0.00 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 1r6p h GLU 59 Cb 0.89 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1r6p h GLU 59 CO 0.05 0.78 -0.44 0.00 -1.00 0.00 0.00 179.01 178.40 1r6p h MET 60 N 0.16 0.06 -0.01 2.33 -0.00 -1.36 -1.56 114.93 114.55 1r6p h MET 60 Ca 0.04 -0.03 -0.07 0.00 -0.00 0.00 0.00 59.70 59.65 1r6p h MET 60 Cb 0.66 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.27 1r6p h MET 60 CO 0.04 0.49 -0.25 0.82 -0.00 0.00 0.00 176.91 178.01 1r6p h ILE 61 N 0.05 1.52 -0.44 -0.10 2.04 -1.37 -2.51 117.51 116.69 1r6p h ILE 61 Ca 0.00 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1r6p h ILE 61 Cb 0.80 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.52 1r6p h ILE 61 CO 0.06 0.52 0.29 -0.78 0.00 0.00 0.00 178.15 178.23 1r6p h ASP 62 N -0.44 0.51 -0.10 1.72 3.58 -0.73 0.35 116.42 121.31 1r6p h ASP 62 Ca -0.03 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1r6p h ASP 62 Cb 0.98 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.90 1r6p h ASP 62 CO 0.05 0.37 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.40 1r6p h GLU 63 N 0.60 0.21 -0.08 0.28 4.39 -1.30 -3.21 114.58 115.47 1r6p h GLU 63 Ca 0.16 -0.09 -0.15 0.00 0.34 0.00 0.00 59.36 59.62 1r6p h GLU 63 Cb -0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1r6p h GLU 63 CO -0.03 0.57 -0.59 -0.24 -1.16 0.00 0.00 179.01 177.55 1r6p h VAL 64 N -0.15 1.38 -2.12 3.13 3.04 -1.06 -3.40 116.25 117.07 1r6p h VAL 64 Ca 0.02 -1.94 -0.54 0.00 -1.01 0.00 0.00 66.70 63.23 1r6p h VAL 64 Cb 0.51 1.96 -0.08 0.00 -2.01 0.00 0.00 31.29 31.67 1r6p h VAL 64 CO 0.02 0.58 1.14 -0.62 -1.01 0.00 0.00 177.57 177.68 1r6p s ASP 65 N -6.90 6.10 0.21 3.17 -1.08 0.12 -4.86 116.67 113.43 1r6p s ASP 65 Ca -0.04 -0.51 -0.10 0.00 -0.52 0.00 0.00 52.55 51.37 1r6p s ASP 65 Cb 0.12 -2.56 0.15 0.00 -1.46 0.00 0.00 42.92 39.17 1r6p s ASP 65 CO 0.80 -1.87 1.86 -0.33 0.52 0.00 0.00 175.17 176.15 1r6p h GLU 66 N 10.53 1.00 0.20 4.34 5.08 -1.80 -3.05 114.58 130.88 1r6p h GLU 66 Ca -0.21 -0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 57.74 1r6p h GLU 66 Cb 1.06 -0.22 0.02 0.00 0.50 0.00 0.00 28.75 30.11 1r6p h GLU 66 CO 1.29 0.69 -1.55 0.38 -1.00 0.00 0.00 179.01 178.82 1r6p h ASP 67 N 1.01 0.67 -3.05 1.42 2.03 -1.92 -3.49 116.42 113.10 1r6p h ASP 67 Ca 0.27 -0.82 -0.11 0.00 -0.73 0.00 0.00 57.03 55.64 1r6p h ASP 67 Cb -0.07 -0.22 0.05 0.00 -0.83 0.00 0.00 39.33 38.26 1r6p h ASP 67 CO -0.05 1.66 -0.24 0.61 -1.03 0.00 0.00 179.24 180.19 1r6p n GLY 68 N 1.74 0.24 0.21 7.15 0.00 -1.15 -4.95 105.19 108.43 1r6p n GLY 68 Ca -0.18 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.38 0.66 -0.04 1.61 3.41 -1.26 -4.88 113.62 111.73 1r6p n SER 69 Ca -0.08 -1.31 -0.01 0.00 -0.26 0.00 0.00 58.87 57.22 1r6p n SER 69 Cb 0.55 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.03 0.46 3.04 5.00 0.00 -1.26 -5.02 105.19 108.43 1r6p n GLY 70 Ca 0.20 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.01 -0.01 -0.24 2.61 -4.23 -1.26 -1.88 115.64 108.63 1r6p s THR 71 Ca 0.00 0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.43 1r6p s THR 71 Cb 0.00 -0.25 -0.05 0.00 1.34 0.00 0.00 72.50 73.54 1r6p s THR 71 CO 0.00 0.01 0.15 -0.69 -0.54 0.00 0.00 174.62 173.56 1r6p s VAL 72 N 0.26 5.34 0.56 2.29 1.01 -0.01 -4.83 120.40 125.02 1r6p s VAL 72 Ca -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1r6p s VAL 72 Cb -0.03 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.89 1r6p s VAL 72 CO -0.01 0.35 0.81 -1.81 0.00 0.00 0.00 175.10 174.45 1r6p s ASP 73 N 1.00 5.44 0.47 3.32 1.01 -1.26 -1.06 116.67 125.59 1r6p s ASP 73 Ca 0.07 0.33 0.13 0.00 0.71 0.00 0.00 52.55 53.80 1r6p s ASP 73 Cb -0.13 -1.31 1.10 0.00 1.01 0.00 0.00 42.92 43.58 1r6p s ASP 73 CO 0.04 -1.07 2.09 0.15 0.21 0.00 0.00 175.17 176.59 1r6p h PHE 74 N -0.00 0.24 -0.29 4.23 3.57 -1.99 0.67 116.94 123.36 1r6p h PHE 74 Ca -0.44 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 60.97 1r6p h PHE 74 Cb 1.28 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1r6p h PHE 74 CO 0.41 0.14 -0.17 -0.44 -2.23 0.00 0.00 178.31 176.03 1r6p h ASP 75 N 0.25 0.65 0.69 0.41 5.19 -1.99 -1.89 116.42 119.74 1r6p h ASP 75 Ca 0.10 -0.42 -0.12 0.00 -0.62 0.00 0.00 57.03 55.96 1r6p h ASP 75 Cb 0.08 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1r6p h ASP 75 CO -0.02 0.93 -0.59 -0.33 -3.12 0.00 0.00 179.24 176.11 1r6p h GLU 76 N 0.37 0.00 0.31 3.56 5.08 -1.66 -2.18 114.58 120.05 1r6p h GLU 76 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1r6p h GLU 76 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1r6p h GLU 76 CO 0.05 0.59 -0.15 0.35 -1.00 0.00 0.00 179.01 178.85 1r6p h PHE 77 N 0.00 -0.38 -0.07 4.33 3.57 0.47 -1.98 116.94 122.87 1r6p h PHE 77 Ca -0.01 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1r6p h PHE 77 Cb 1.10 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 1r6p h PHE 77 CO 0.00 -0.10 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.51 1r6p h LEU 78 N -0.65 0.16 -0.45 0.59 4.07 -1.39 -2.98 115.31 114.66 1r6p h LEU 78 Ca -0.04 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1r6p h LEU 78 Cb 0.46 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1r6p h LEU 78 CO 0.07 0.55 0.25 0.58 -1.08 0.00 0.00 178.44 178.80 1r6p h VAL 79 N 0.13 1.16 -0.75 1.22 2.07 -1.33 -2.22 116.25 116.54 1r6p h VAL 79 Ca 0.01 -0.42 0.22 0.00 0.82 0.00 0.00 66.70 67.33 1r6p h VAL 79 Cb 0.77 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1r6p h VAL 79 CO 0.06 0.17 0.76 -0.03 0.02 0.00 0.00 177.57 178.55 1r6p h MET 80 N 0.59 0.00 0.44 1.57 -1.53 -1.19 -0.29 114.93 114.52 1r6p h MET 80 Ca 0.16 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.40 1r6p h MET 80 Cb 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.11 1r6p h MET 80 CO -0.03 0.00 -0.21 1.98 0.14 0.00 0.00 176.91 178.79 1r6p h MET 81 N 0.00 -0.57 0.00 0.39 -1.53 -1.51 -0.30 114.93 111.41 1r6p h MET 81 Ca 0.35 0.04 -0.08 0.00 -3.44 0.00 0.00 59.70 56.58 1r6p h MET 81 Cb 1.87 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 33.04 1r6p h MET 81 CO -0.00 -0.31 -0.36 -0.39 0.14 0.00 0.00 176.91 175.98 1r6p h VAL 82 N -0.73 1.13 -0.05 -5.77 -1.51 -1.24 -2.44 116.25 105.64 1r6p h VAL 82 Ca -0.06 -1.30 -0.08 0.00 -1.23 0.00 0.00 66.70 64.02 1r6p h VAL 82 Cb 0.52 1.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1r6p h VAL 82 CO 0.10 0.36 -0.35 0.03 -1.23 0.00 0.00 177.57 176.47 1r6p h ARG 83 N 0.00 0.09 0.03 5.19 3.08 -1.00 0.40 114.38 122.17 1r6p h ARG 83 Ca -0.00 -0.04 -0.26 0.00 0.07 0.00 0.00 59.98 59.75 1r6p h ARG 83 Cb 0.70 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.76 1r6p h ARG 83 CO 0.05 0.44 -1.05 0.00 -1.07 0.00 0.00 179.97 178.33 1r6p h MET 85 N 0.29 -0.05 -5.89 0.00 1.85 -1.28 -3.42 114.93 106.42 1r6p h MET 85 Ca -0.12 0.00 -0.64 0.00 -0.61 0.00 0.00 59.70 58.33 1r6p h MET 85 Cb 1.71 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 33.68 1r6p h MET 85 CO 0.19 0.04 -0.52 0.21 -0.40 0.00 0.00 176.91 176.43 1r6p s LYS 86 N -1.78 3.29 -0.80 0.39 2.20 0.14 -4.48 119.74 118.71 1r6p s LYS 86 Ca -0.02 -0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.18 1r6p s LYS 86 Cb -0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1r6p s LYS 86 CO 0.07 0.66 0.67 -3.47 -0.36 0.00 0.00 175.35 172.93 1r6p n ASP 87 N 0.97 -2.84 -0.07 1.43 2.03 -1.26 -3.95 116.55 112.87 1r6p n ASP 87 Ca -0.11 -0.38 -0.12 0.00 0.52 0.00 0.00 54.79 54.69 1r6p n ASP 87 Cb 0.52 -3.44 -0.05 0.00 -0.72 0.00 0.00 41.12 37.43 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r6p n ASP 88 N -2.08 1.91 0.00 1.67 2.03 -1.25 -4.82 116.55 114.00 1r6p n ASP 88 Ca -0.13 0.06 0.08 0.00 0.52 0.00 0.00 54.79 55.32 1r6p n ASP 88 Cb 0.59 -0.32 0.48 0.00 -0.72 0.00 0.00 41.12 41.15 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04