#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p s ASN 2 N 0.00 4.82 -0.01 3.17 -0.87 -1.26 -4.86 114.94 115.93 1r6p s ASN 2 Ca 0.00 -2.88 0.12 0.00 -1.57 0.00 0.00 52.86 48.53 1r6p s ASN 2 Cb 0.00 -1.75 -0.15 0.00 -0.02 0.00 0.00 41.25 39.33 1r6p s ASN 2 CO 0.00 -0.31 0.43 0.47 -2.57 0.00 0.00 177.10 175.12 1r6p n ASP 3 N 3.37 1.11 0.07 -1.22 9.92 -1.26 -4.55 116.55 123.99 1r6p n ASP 3 Ca 0.06 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.81 1r6p n ASP 3 Cb 0.36 1.19 0.31 0.00 -0.64 0.00 0.00 41.12 42.34 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 0.00 1.21 -0.54 0.53 -0.00 -1.98 0.18 117.51 116.91 1r6p h ILE 4 Ca 0.00 -0.96 -0.07 0.00 -0.00 0.00 0.00 64.86 63.84 1r6p h ILE 4 Cb 0.38 1.23 -0.02 0.00 -0.00 0.00 0.00 36.82 38.41 1r6p h ILE 4 CO 0.00 0.30 0.07 1.88 -0.00 0.00 0.00 178.15 180.41 1r6p h TYR 5 N 0.32 0.91 0.00 0.16 0.05 -1.95 -2.51 116.97 113.95 1r6p h TYR 5 Ca 0.06 -0.11 -0.10 0.00 0.05 0.00 0.00 58.73 58.63 1r6p h TYR 5 Cb 0.47 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1r6p h TYR 5 CO 0.01 0.79 -0.94 0.87 -1.05 0.00 0.00 178.16 177.85 1r6p h LYS 6 N 0.82 0.00 -0.05 4.88 6.56 -1.75 -3.27 116.57 123.76 1r6p h LYS 6 Ca 0.17 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.66 1r6p h LYS 6 Cb 0.39 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 1r6p h LYS 6 CO 0.01 0.28 -0.41 0.00 -2.06 0.00 0.00 179.45 177.27 1r6p h ALA 7 N 1.60 1.23 0.14 3.86 0.00 -0.35 -2.26 119.26 123.47 1r6p h ALA 7 Ca -0.07 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.26 1r6p h ALA 7 Cb 1.37 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.10 1r6p h ALA 7 CO 0.04 0.55 -0.86 0.00 0.00 0.00 0.00 179.25 178.97 1r6p h ALA 8 N 1.49 -0.08 0.00 0.00 0.00 -1.56 -3.15 119.26 115.97 1r6p h ALA 8 Ca 0.01 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1r6p h ALA 8 Cb 0.76 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1r6p h ALA 8 CO 0.06 0.41 -0.16 -0.24 0.00 0.00 0.00 179.25 179.32 1r6p h VAL 9 N -0.36 0.64 0.00 0.00 3.04 -1.60 0.16 116.25 118.13 1r6p h VAL 9 Ca -0.15 -0.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1r6p h VAL 9 Cb 1.66 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 32.37 1r6p h VAL 9 CO 0.15 0.15 -0.18 1.05 -1.01 0.00 0.00 177.57 177.73 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.49 -3.33 114.58 118.04 1r6p h GLU 10 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 1r6p h GLU 10 Cb 0.42 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.48 1r6p h GLU 10 CO 0.02 0.00 -0.74 0.00 0.07 0.00 0.00 179.01 178.37 1r6p n GLN 11 N -2.71 0.74 -1.54 1.06 10.64 -0.78 -5.09 117.38 119.71 1r6p n GLN 11 Ca 0.04 -2.54 -0.30 0.00 -1.83 0.00 0.00 57.00 52.37 1r6p n GLN 11 Cb 0.49 -0.79 0.22 0.00 -0.86 0.00 0.00 30.24 29.31 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 -1.52 1.75 0.45 2.61 0.05 0.50 -4.99 118.68 117.52 1r6p s LEU 12 Ca 0.34 0.36 0.06 0.00 0.05 0.00 0.00 54.13 54.94 1r6p s LEU 12 Cb 0.36 -2.20 0.01 0.00 -2.05 0.00 0.00 46.19 42.31 1r6p s LEU 12 CO -0.11 -3.50 0.62 0.42 -0.55 0.00 0.00 176.35 173.23 1r6p s THR 13 N -3.51 3.04 0.27 5.48 -4.23 -1.26 -5.01 115.64 110.42 1r6p s THR 13 Ca 0.74 -0.90 0.08 0.00 -1.18 0.00 0.00 61.69 60.44 1r6p s THR 13 Cb -0.05 -3.05 -0.02 0.00 1.34 0.00 0.00 72.50 70.71 1r6p s THR 13 CO 0.55 -0.03 1.61 0.44 -0.54 0.00 0.00 174.62 176.65 1r6p h ASP 14 N 0.51 0.11 -0.75 3.99 3.32 -1.99 -2.95 116.42 118.65 1r6p h ASP 14 Ca -0.41 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 56.64 1r6p h ASP 14 Cb 1.28 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.75 1r6p h ASP 14 CO 0.48 0.67 0.49 1.05 -1.72 0.00 0.00 179.24 180.21 1r6p h GLU 15 N 0.07 0.77 -0.25 3.56 4.11 -1.99 -1.19 114.58 119.66 1r6p h GLU 15 Ca -0.01 -0.05 -0.18 0.00 0.07 0.00 0.00 59.36 59.19 1r6p h GLU 15 Cb 1.05 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 1r6p h GLU 15 CO 0.08 0.51 -0.57 1.96 0.07 0.00 0.00 179.01 181.06 1r6p h GLN 16 N 0.79 0.79 0.00 1.06 4.20 -1.93 0.27 115.11 120.29 1r6p h GLN 16 Ca 0.33 -0.51 0.00 0.00 0.06 0.00 0.00 58.65 58.52 1r6p h GLN 16 Cb 0.25 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1r6p h GLN 16 CO -0.11 1.14 0.00 0.87 -0.67 0.00 0.00 178.83 180.06 1r6p h LYS 17 N 0.60 0.00 0.00 1.46 1.79 -1.18 -2.79 116.57 116.45 1r6p h LYS 17 Ca 0.01 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.24 1r6p h LYS 17 Cb 1.17 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.77 1r6p h LYS 17 CO 0.12 0.00 -1.96 0.09 -1.08 0.00 0.00 179.45 176.62 1r6p n ASN 18 N -2.83 1.44 0.23 0.86 3.02 -0.73 -3.69 115.26 113.56 1r6p n ASN 18 Ca -0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.39 1r6p n ASN 18 Cb 0.16 0.94 -0.08 0.00 -0.61 0.00 0.00 39.78 40.20 1r6p n ASN 18 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1r6p h GLU 19 N 0.00 -0.62 0.12 3.52 4.57 -0.19 -1.21 114.58 120.77 1r6p h GLU 19 Ca -0.35 0.04 -0.30 0.00 -1.18 0.00 0.00 59.36 57.57 1r6p h GLU 19 Cb 1.77 0.14 0.03 0.00 -0.16 0.00 0.00 28.75 30.53 1r6p h GLU 19 CO 0.02 -0.41 -1.25 0.74 -1.18 0.00 0.00 179.01 176.93 1r6p h PHE 20 N -0.64 0.94 -0.44 0.92 0.04 -1.78 -3.29 116.94 112.69 1r6p h PHE 20 Ca -0.04 -0.60 0.09 0.00 2.80 0.00 0.00 57.97 60.23 1r6p h PHE 20 Cb 0.55 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1r6p h PHE 20 CO -0.12 1.44 0.30 -0.22 -0.60 0.00 0.00 178.31 179.11 1r6p h LYS 21 N 0.25 0.18 0.54 1.51 3.11 -1.63 0.37 116.57 120.91 1r6p h LYS 21 Ca -0.18 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.62 1r6p h LYS 21 Cb 1.92 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 33.11 1r6p h LYS 21 CO 0.23 0.12 -0.29 0.00 -2.81 0.00 0.00 179.45 176.71 1r6p h ALA 22 N 1.78 -0.77 -0.38 5.00 0.00 -1.28 0.39 119.26 124.00 1r6p h ALA 22 Ca 0.20 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1r6p h ALA 22 Cb 0.56 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1r6p h ALA 22 CO -0.03 -0.94 -0.25 0.00 0.00 0.00 0.00 179.25 178.03 1r6p h ALA 23 N -0.33 0.84 -0.43 0.00 0.00 -1.58 -2.95 119.26 114.81 1r6p h ALA 23 Ca -0.07 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.50 1r6p h ALA 23 Cb 0.61 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1r6p h ALA 23 CO 0.10 0.64 0.17 0.35 0.00 0.00 0.00 179.25 180.51 1r6p h PHE 24 N 0.68 0.31 -0.46 0.00 3.04 -0.02 -0.27 116.94 120.22 1r6p h PHE 24 Ca 0.09 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1r6p h PHE 24 Cb 0.77 -0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.19 1r6p h PHE 24 CO 0.04 0.13 0.22 0.22 -2.02 0.00 0.00 178.31 176.90 1r6p h ASP 25 N 0.35 0.60 -0.29 0.41 1.82 -0.11 0.35 116.42 119.56 1r6p h ASP 25 Ca 0.20 -0.13 -0.14 0.00 -0.39 0.00 0.00 57.03 56.57 1r6p h ASP 25 Cb 0.17 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1r6p h ASP 25 CO -0.18 0.56 -0.34 0.16 -1.61 0.00 0.00 179.24 177.83 1r6p h ILE 26 N 0.60 1.28 -0.04 2.25 3.07 -1.33 -0.57 117.51 122.77 1r6p h ILE 26 Ca 0.16 -1.50 -0.16 0.00 1.55 0.00 0.00 64.86 64.91 1r6p h ILE 26 Cb 0.11 1.35 -0.01 0.00 -0.27 0.00 0.00 36.82 38.01 1r6p h ILE 26 CO -0.02 0.50 -0.70 -0.26 -1.05 0.00 0.00 178.15 176.62 1r6p h PHE 27 N 0.69 0.26 -0.58 0.16 0.04 -0.94 -2.98 116.94 113.58 1r6p h PHE 27 Ca 0.07 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1r6p h PHE 27 Cb 0.89 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1r6p h PHE 27 CO 0.05 0.82 0.00 0.44 -0.60 0.00 0.00 178.31 179.02 1r6p n ILE 28 N -3.79 0.93 -0.35 -0.55 -6.64 0.10 -4.45 119.36 104.62 1r6p n ILE 28 Ca -0.03 -0.83 0.17 0.00 -1.77 0.00 0.00 62.75 60.30 1r6p n ILE 28 Cb 0.68 0.33 0.38 0.00 -1.44 0.00 0.00 39.64 39.59 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 3.45 0.58 -0.32 6.28 4.15 -0.93 0.83 115.11 129.14 1r6p h GLN 29 Ca 0.00 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.26 1r6p h GLN 29 Cb 0.88 -0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.37 1r6p h GLN 29 CO 0.04 0.38 -0.03 -0.25 -1.93 0.00 0.00 178.83 177.04 1r6p n ASP 30 N -4.88 2.99 -4.97 -0.69 9.92 -1.26 -5.01 116.55 112.64 1r6p n ASP 30 Ca 0.26 -3.48 -0.21 0.00 -0.53 0.00 0.00 54.79 50.83 1r6p n ASP 30 Cb 0.73 -0.60 -0.02 0.00 -0.64 0.00 0.00 41.12 40.58 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r6p s ALA 31 N -3.09 3.92 -0.08 2.24 0.00 0.28 -5.04 121.76 120.00 1r6p s ALA 31 Ca 0.44 -1.21 0.20 0.00 0.00 0.00 0.00 51.96 51.39 1r6p s ALA 31 Cb 0.38 -1.75 0.41 0.00 0.00 0.00 0.00 23.12 22.17 1r6p s ALA 31 CO 0.03 0.24 1.18 -0.85 0.00 0.00 0.00 175.76 176.37 1r6p n GLU 32 N -1.40 0.59 -0.26 0.00 0.28 -1.26 -4.77 120.64 113.82 1r6p n GLU 32 Ca -0.09 -2.45 0.00 0.00 -0.16 0.00 0.00 57.16 54.46 1r6p n GLU 32 Cb 0.57 -0.62 0.00 0.00 1.43 0.00 0.00 31.44 32.82 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1r6p n ASP 33 N -0.12 0.00 -3.64 -1.84 2.03 -1.26 -5.04 116.55 106.68 1r6p n ASP 33 Ca 0.11 -1.42 -0.25 0.00 0.52 0.00 0.00 54.79 53.75 1r6p n ASP 33 Cb 0.97 -0.08 0.04 0.00 -0.72 0.00 0.00 41.12 41.32 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 0.00 -0.74 3.58 0.27 0.00 -1.26 -5.00 105.19 102.04 1r6p n GLY 34 Ca 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.33 2.28 -0.38 0.00 -5.25 0.15 -4.66 121.20 113.00 1r6p s ILE 36 Ca -0.05 -0.53 -0.20 0.00 -0.99 0.00 0.00 60.65 58.89 1r6p s ILE 36 Cb -0.03 -2.74 0.01 0.00 2.95 0.00 0.00 42.46 42.65 1r6p s ILE 36 CO 0.04 0.00 0.60 -0.55 -1.79 0.00 0.00 174.94 173.24 1r6p s SER 37 N -4.64 6.36 0.30 4.36 0.15 -1.26 -1.42 113.70 117.55 1r6p s SER 37 Ca 0.64 -0.07 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1r6p s SER 37 Cb -0.07 -2.31 0.61 0.00 -1.71 0.00 0.00 66.02 62.54 1r6p s SER 37 CO 0.43 -0.62 1.86 0.71 1.20 0.00 0.00 173.24 176.83 1r6p h THR 38 N 5.72 0.93 -0.15 6.45 1.35 -1.74 0.19 112.91 125.67 1r6p h THR 38 Ca -0.26 -0.32 0.01 0.00 -0.55 0.00 0.00 66.41 65.28 1r6p h THR 38 Cb 1.11 -0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1r6p h THR 38 CO 0.83 0.17 0.10 0.11 -0.25 0.00 0.00 175.52 176.49 1r6p h LYS 39 N 0.94 0.16 -0.58 4.72 1.79 -1.92 -0.17 116.57 121.51 1r6p h LYS 39 Ca 0.46 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.75 1r6p h LYS 39 Cb 0.47 -0.04 -0.10 0.00 -1.58 0.00 0.00 32.23 30.99 1r6p h LYS 39 CO -0.22 0.11 0.16 0.39 -1.08 0.00 0.00 179.45 178.81 1r6p n GLU 40 N -4.51 3.22 0.19 3.15 1.02 0.56 -4.51 120.64 119.76 1r6p n GLU 40 Ca -0.00 -3.06 0.04 0.00 -0.02 0.00 0.00 57.16 54.12 1r6p n GLU 40 Cb 0.11 -2.07 0.38 0.00 -0.02 0.00 0.00 31.44 29.84 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r6p h LEU 41 N 2.18 0.00 -1.81 -4.62 6.46 0.14 -2.58 115.31 115.08 1r6p h LEU 41 Ca 0.21 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 58.10 1r6p h LEU 41 Cb 2.04 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.94 1r6p h LEU 41 CO 0.58 0.37 0.39 1.23 -0.62 0.00 0.00 178.44 180.38 1r6p h GLY 42 N 1.34 0.30 2.00 3.75 0.00 -1.79 0.32 103.07 108.99 1r6p h GLY 42 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1r6p h GLY 42 CO 0.05 0.04 -0.16 0.50 0.00 0.00 0.00 176.54 176.97 1r6p h LYS 43 N 0.20 0.00 0.09 4.80 1.79 -1.82 -1.29 116.57 120.34 1r6p h LYS 43 Ca 0.27 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.41 1r6p h LYS 43 Cb 0.79 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 1r6p h LYS 43 CO -0.05 0.16 -1.78 -0.39 -1.08 0.00 0.00 179.45 176.31 1r6p h VAL 44 N 0.00 0.85 -0.59 0.50 -1.51 -0.54 -3.15 116.25 111.80 1r6p h VAL 44 Ca -0.00 -2.58 -0.07 0.00 -1.23 0.00 0.00 66.70 62.82 1r6p h VAL 44 Cb 0.43 2.56 -0.02 0.00 -2.13 0.00 0.00 31.29 32.13 1r6p h VAL 44 CO 0.02 0.76 0.10 0.24 -1.23 0.00 0.00 177.57 177.46 1r6p h MET 45 N 0.05 0.98 -0.26 5.19 2.86 -1.02 0.16 114.93 122.90 1r6p h MET 45 Ca -0.33 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 56.97 1r6p h MET 45 Cb 2.03 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.56 1r6p h MET 45 CO 0.11 0.93 -0.18 0.00 1.06 0.00 0.00 176.91 178.83 1r6p h ARG 46 N 0.89 0.46 -0.02 1.72 2.47 -0.51 0.30 114.38 119.68 1r6p h ARG 46 Ca 0.18 -0.14 -0.16 0.00 -1.26 0.00 0.00 59.98 58.60 1r6p h ARG 46 Cb 0.42 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.68 1r6p h ARG 46 CO 0.01 0.62 -0.69 0.52 0.56 0.00 0.00 179.97 180.99 1r6p h MET 47 N 0.42 0.13 0.00 0.04 2.86 -1.40 -2.98 114.93 114.00 1r6p h MET 47 Ca 0.07 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 1r6p h MET 47 Cb 0.55 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1r6p h MET 47 CO 0.04 0.77 -0.38 -0.07 1.06 0.00 0.00 176.91 178.32 1r6p h LEU 48 N 0.09 0.00 0.00 1.22 4.07 -0.15 -3.47 115.31 117.07 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 1.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1r6p h LEU 48 CO 0.10 0.38 0.00 0.61 -1.08 0.00 0.00 178.44 178.45 1r6p n GLY 49 N 0.23 1.99 2.94 0.83 0.00 -0.62 -5.09 105.19 105.48 1r6p n GLY 49 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.16 0.59 -0.69 1.61 -1.52 0.96 -5.00 119.66 115.45 1r6p s GLN 50 Ca 0.00 -0.17 0.05 0.00 -1.95 0.00 0.00 55.36 53.29 1r6p s GLN 50 Cb 0.00 -0.59 0.17 0.00 -0.22 0.00 0.00 33.01 32.37 1r6p s GLN 50 CO 0.00 0.05 0.47 1.21 -0.25 0.00 0.00 175.29 176.77 1r6p s ASN 51 N 0.25 4.78 0.13 5.90 3.84 -1.26 -1.88 114.94 126.69 1r6p s ASN 51 Ca -0.03 -3.78 0.00 0.00 0.21 0.00 0.00 52.86 49.26 1r6p s ASN 51 Cb -0.07 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.00 1r6p s ASN 51 CO -0.00 -0.10 0.00 -0.81 -2.79 0.00 0.00 177.10 173.40 1r6p n PRO 52 N 2.07 1.16 -3.95 0.43 -0.04 -1.26 -5.11 135.00 128.30 1r6p n PRO 52 Ca 0.18 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.38 1r6p n PRO 52 Cb 0.35 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.79 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 0.19 1.73 0.07 0.52 -4.23 -1.26 -4.96 115.64 107.70 1r6p s THR 53 Ca 0.00 -1.53 0.15 0.00 -1.18 0.00 0.00 61.69 59.13 1r6p s THR 53 Cb 0.00 -2.27 0.05 0.00 1.34 0.00 0.00 72.50 71.62 1r6p s THR 53 CO 0.00 0.00 1.57 1.55 -0.54 0.00 0.00 174.62 177.20 1r6p h PRO 54 N 0.86 0.00 0.14 3.99 0.13 -2.00 -0.63 132.00 134.50 1r6p h PRO 54 Ca -0.38 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.47 1r6p h PRO 54 Cb 1.30 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1r6p h PRO 54 CO 0.59 0.52 -1.30 0.93 -0.23 0.00 0.00 178.00 178.52 1r6p h GLU 55 N 0.00 0.29 -0.03 0.86 5.08 -1.99 -3.11 114.58 115.69 1r6p h GLU 55 Ca -0.01 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 57.79 1r6p h GLU 55 Cb 1.19 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1r6p h GLU 55 CO 0.07 1.23 -0.25 1.49 -1.00 0.00 0.00 179.01 180.54 1r6p h GLU 56 N 0.08 0.22 -0.92 2.33 4.22 -1.95 -0.92 114.58 117.64 1r6p h GLU 56 Ca -0.16 -0.20 0.09 0.00 0.08 0.00 0.00 59.36 59.18 1r6p h GLU 56 Cb 1.99 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 31.22 1r6p h GLU 56 CO 0.21 0.88 0.56 1.37 -2.18 0.00 0.00 179.01 179.85 1r6p h LEU 57 N -0.38 0.84 -0.08 1.64 8.10 -1.24 -0.15 115.31 124.05 1r6p h LEU 57 Ca -0.02 0.04 -0.24 0.00 0.11 0.00 0.00 57.88 57.77 1r6p h LEU 57 Cb 0.95 -0.13 -0.00 0.00 -0.44 0.00 0.00 40.66 41.03 1r6p h LEU 57 CO 0.05 0.49 -1.04 -0.61 -4.11 0.00 0.00 178.44 173.22 1r6p h GLN 58 N 0.95 0.28 -0.25 0.17 5.75 -1.60 -3.01 115.11 117.40 1r6p h GLN 58 Ca 0.43 -0.37 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1r6p h GLN 58 Cb 0.33 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1r6p h GLN 58 CO -0.23 1.10 0.14 0.93 -2.65 0.00 0.00 178.83 178.13 1r6p h GLU 59 N 0.13 0.35 0.00 1.69 4.39 -0.29 -0.05 114.58 120.80 1r6p h GLU 59 Ca -0.09 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1r6p h GLU 59 Cb 1.71 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.28 1r6p h GLU 59 CO 0.17 0.31 -0.27 0.00 -1.16 0.00 0.00 179.01 178.06 1r6p h MET 60 N 0.30 0.00 -0.04 2.33 -0.00 -1.14 -2.32 114.93 114.05 1r6p h MET 60 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.77 1r6p h MET 60 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 1r6p h MET 60 CO -0.01 0.27 -0.07 0.82 -0.00 0.00 0.00 176.91 177.92 1r6p h ILE 61 N 0.00 1.43 -0.42 -0.10 2.04 -1.28 -0.21 117.51 118.98 1r6p h ILE 61 Ca -0.00 -1.38 0.02 0.00 1.00 0.00 0.00 64.86 64.50 1r6p h ILE 61 Cb 0.54 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1r6p h ILE 61 CO 0.04 0.37 0.28 0.44 0.00 0.00 0.00 178.15 179.28 1r6p h ASP 62 N -0.41 0.42 0.07 1.72 5.19 -0.86 0.60 116.42 123.16 1r6p h ASP 62 Ca 0.00 -0.01 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 1r6p h ASP 62 Cb 0.64 -0.10 0.02 0.00 0.18 0.00 0.00 39.33 40.07 1r6p h ASP 62 CO 0.02 0.30 -1.04 -0.33 -3.12 0.00 0.00 179.24 175.06 1r6p h GLU 63 N 0.49 0.58 0.05 3.56 4.39 -1.37 -3.34 114.58 118.94 1r6p h GLU 63 Ca 0.17 -0.72 -0.26 0.00 0.34 0.00 0.00 59.36 58.89 1r6p h GLU 63 Cb 0.06 0.23 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1r6p h GLU 63 CO -0.04 1.31 -1.08 -0.24 -1.16 0.00 0.00 179.01 177.80 1r6p h VAL 64 N 0.18 1.36 -2.35 3.13 3.04 -0.58 -3.42 116.25 117.61 1r6p h VAL 64 Ca -0.15 -2.49 -0.53 0.00 -1.01 0.00 0.00 66.70 62.52 1r6p h VAL 64 Cb 1.73 2.55 -0.05 0.00 -2.01 0.00 0.00 31.29 33.51 1r6p h VAL 64 CO 0.20 0.75 1.20 -0.62 -1.01 0.00 0.00 177.57 178.09 1r6p s ASP 65 N -7.23 5.79 0.37 3.17 2.15 0.21 -4.85 116.67 116.28 1r6p s ASP 65 Ca -0.07 0.13 0.05 0.00 0.43 0.00 0.00 52.55 53.08 1r6p s ASP 65 Cb 0.07 -2.54 0.72 0.00 -0.30 0.00 0.00 42.92 40.87 1r6p s ASP 65 CO 0.90 -2.01 2.00 1.05 -0.17 0.00 0.00 175.17 176.94 1r6p h GLU 66 N 12.37 0.74 0.05 4.34 4.11 -1.84 -3.00 114.58 131.34 1r6p h GLU 66 Ca -0.27 -0.04 -0.35 0.00 0.07 0.00 0.00 59.36 58.76 1r6p h GLU 66 Cb 1.11 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1r6p h GLU 66 CO 1.22 0.49 -2.09 -0.40 0.07 0.00 0.00 179.01 178.30 1r6p n ASP 67 N -4.46 1.48 -1.89 3.06 5.75 -1.26 -5.02 116.55 114.21 1r6p n ASP 67 Ca 0.07 0.15 -0.07 0.00 -0.01 0.00 0.00 54.79 54.94 1r6p n ASP 67 Cb 0.12 -0.30 0.03 0.00 -1.03 0.00 0.00 41.12 39.95 1r6p n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r6p n GLY 68 N 1.91 0.17 0.43 6.12 0.00 -1.14 -4.95 105.19 107.74 1r6p n GLY 68 Ca -0.31 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.61 1.29 -0.18 1.61 3.41 -1.26 -4.89 113.62 111.99 1r6p n SER 69 Ca -0.10 -1.65 -0.02 0.00 -0.26 0.00 0.00 58.87 56.84 1r6p n SER 69 Cb 0.56 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.05 0.57 2.97 5.00 0.00 -1.26 -5.02 105.19 108.51 1r6p n GLY 70 Ca 0.15 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.06 -0.04 -0.27 2.61 -4.23 -1.26 -2.01 115.64 108.38 1r6p s THR 71 Ca 0.00 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.52 1r6p s THR 71 Cb 0.00 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1r6p s THR 71 CO 0.00 0.06 0.30 -0.69 -0.54 0.00 0.00 174.62 173.75 1r6p s VAL 72 N 1.00 5.23 0.69 2.29 1.01 -0.51 -4.84 120.40 125.28 1r6p s VAL 72 Ca -0.08 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1r6p s VAL 72 Cb -0.09 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1r6p s VAL 72 CO -0.05 0.19 1.03 -1.81 0.00 0.00 0.00 175.10 174.46 1r6p s ASP 73 N 1.69 5.21 0.44 3.32 1.01 -1.26 -0.68 116.67 126.40 1r6p s ASP 73 Ca 0.12 0.81 0.11 0.00 0.71 0.00 0.00 52.55 54.30 1r6p s ASP 73 Cb -0.16 -1.59 0.98 0.00 1.01 0.00 0.00 42.92 43.16 1r6p s ASP 73 CO 0.10 -1.40 2.04 0.15 0.21 0.00 0.00 175.17 176.28 1r6p h PHE 74 N -0.56 0.41 -0.27 4.23 3.57 -1.99 0.65 116.94 122.98 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 1.28 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 1r6p h PHE 74 CO 0.43 0.24 -0.10 0.22 -2.23 0.00 0.00 178.31 176.86 1r6p h ASP 75 N 0.42 0.56 0.50 0.41 3.58 -1.95 -1.48 116.42 118.45 1r6p h ASP 75 Ca 0.18 -0.39 -0.10 0.00 0.42 0.00 0.00 57.03 57.14 1r6p h ASP 75 Cb 0.17 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1r6p h ASP 75 CO -0.04 0.82 -0.47 -0.33 -2.88 0.00 0.00 179.24 176.34 1r6p h GLU 76 N 0.29 0.00 0.25 0.28 5.08 -1.64 -0.89 114.58 117.95 1r6p h GLU 76 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1r6p h GLU 76 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1r6p h GLU 76 CO 0.03 0.47 -0.12 0.35 -1.00 0.00 0.00 179.01 178.74 1r6p h PHE 77 N 0.00 -0.31 -0.11 4.33 3.57 0.50 -2.12 116.94 122.81 1r6p h PHE 77 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1r6p h PHE 77 Cb 0.85 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1r6p h PHE 77 CO 0.00 0.00 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.53 1r6p h LEU 78 N -0.63 0.30 -0.38 0.59 4.07 -1.27 -3.08 115.31 114.90 1r6p h LEU 78 Ca -0.03 -0.14 0.01 0.00 0.08 0.00 0.00 57.88 57.79 1r6p h LEU 78 Cb 0.45 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1r6p h LEU 78 CO 0.06 0.73 0.25 0.58 -1.08 0.00 0.00 178.44 178.97 1r6p h VAL 79 N 0.22 1.08 -1.26 1.22 2.07 -1.14 -1.90 116.25 116.54 1r6p h VAL 79 Ca 0.01 -0.17 0.37 0.00 0.82 0.00 0.00 66.70 67.72 1r6p h VAL 79 Cb 0.93 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1r6p h VAL 79 CO 0.08 0.09 0.97 -0.03 0.02 0.00 0.00 177.57 178.70 1r6p h MET 80 N 0.51 0.00 0.44 1.57 -1.53 -1.28 0.25 114.93 114.89 1r6p h MET 80 Ca 0.14 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.38 1r6p h MET 80 Cb -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.01 1r6p h MET 80 CO -0.04 0.00 -0.21 1.98 0.14 0.00 0.00 176.91 178.78 1r6p h MET 81 N 0.00 -0.57 -0.07 0.39 -1.53 -1.46 -1.93 114.93 109.76 1r6p h MET 81 Ca 0.60 0.04 -0.09 0.00 -3.44 0.00 0.00 59.70 56.81 1r6p h MET 81 Cb 2.54 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 33.70 1r6p h MET 81 CO -0.01 -0.29 -0.35 -0.39 0.14 0.00 0.00 176.91 176.01 1r6p h VAL 82 N -0.78 1.27 -0.85 -5.77 -1.51 -1.12 -2.80 116.25 104.69 1r6p h VAL 82 Ca -0.06 -1.31 0.01 0.00 -1.23 0.00 0.00 66.70 64.12 1r6p h VAL 82 Cb 0.54 1.61 -0.04 0.00 -2.13 0.00 0.00 31.29 31.27 1r6p h VAL 82 CO 0.10 0.38 0.56 0.03 -1.23 0.00 0.00 177.57 177.41 1r6p h ARG 83 N 0.12 1.10 -0.55 5.19 3.08 -1.00 0.23 114.38 122.56 1r6p h ARG 83 Ca 0.01 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1r6p h ARG 83 Cb 0.68 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1r6p h ARG 83 CO 0.05 0.73 0.00 0.00 -1.07 0.00 0.00 179.97 179.69 1r6p h MET 85 N 0.87 -0.21 -3.48 0.00 2.86 -1.23 -3.44 114.93 110.31 1r6p h MET 85 Ca 0.16 0.01 -0.46 0.00 -2.06 0.00 0.00 59.70 57.35 1r6p h MET 85 Cb 0.51 0.05 -0.39 0.00 0.06 0.00 0.00 31.60 31.82 1r6p h MET 85 CO 0.02 0.20 -0.76 0.21 1.06 0.00 0.00 176.91 177.65 1r6p s LYS 86 N -3.99 0.44 -0.36 1.72 2.36 0.74 -5.04 119.74 115.61 1r6p s LYS 86 Ca -0.14 -0.08 -0.06 0.00 -2.55 0.00 0.00 55.97 53.14 1r6p s LYS 86 Cb 0.01 -1.48 0.21 0.00 -1.05 0.00 0.00 37.83 35.52 1r6p s LYS 86 CO 0.55 -0.49 1.07 -3.47 1.55 0.00 0.00 175.35 174.55 1r6p n ASP 87 N 5.16 -1.64 -0.07 1.43 -0.08 -1.21 -4.31 116.55 115.84 1r6p n ASP 87 Ca -0.07 -1.13 -0.13 0.00 -1.51 0.00 0.00 54.79 51.95 1r6p n ASP 87 Cb 0.49 0.83 -0.06 0.00 2.34 0.00 0.00 41.12 44.71 1r6p n ASP 87 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1r6p h ASP 88 N 4.25 0.49 -0.01 1.67 5.19 -1.96 -3.50 116.42 122.55 1r6p h ASP 88 Ca -0.00 -0.47 0.00 0.00 -0.62 0.00 0.00 57.03 55.94 1r6p h ASP 88 Cb 1.16 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1r6p h ASP 88 CO -0.10 0.86 0.00 -1.54 -3.12 0.00 0.00 179.24 175.34