#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 6.25 0.47 6.12 3.84 -1.26 -5.01 114.94 125.35 1r6p s ASN 2 Ca 0.00 0.09 0.26 0.00 0.21 0.00 0.00 52.86 53.42 1r6p s ASN 2 Cb 0.00 -1.78 0.66 0.00 -0.55 0.00 0.00 41.25 39.59 1r6p s ASN 2 CO 0.00 -0.17 1.73 0.44 -2.79 0.00 0.00 177.10 176.30 1r6p h ASP 3 N 1.05 0.00 -0.38 -4.21 3.32 -2.06 -3.23 116.42 110.91 1r6p h ASP 3 Ca -0.51 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1r6p h ASP 3 Cb 1.23 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1r6p h ASP 3 CO 0.60 0.00 0.20 0.16 -1.72 0.00 0.00 179.24 178.48 1r6p h ILE 4 N 0.00 1.15 -0.64 0.35 -0.00 -1.98 0.27 117.51 116.66 1r6p h ILE 4 Ca -0.00 -0.42 -0.07 0.00 -0.00 0.00 0.00 64.86 64.37 1r6p h ILE 4 Cb 0.85 0.62 -0.03 0.00 -0.00 0.00 0.00 36.82 38.26 1r6p h ILE 4 CO 0.00 0.17 0.12 1.88 -0.00 0.00 0.00 178.15 180.32 1r6p h TYR 5 N 0.58 1.11 0.00 0.16 0.05 -1.93 -2.52 116.97 114.42 1r6p h TYR 5 Ca 0.15 -0.15 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 1r6p h TYR 5 Cb 0.07 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 1r6p h TYR 5 CO 0.00 0.94 -0.68 -0.22 -1.05 0.00 0.00 178.16 177.15 1r6p h LYS 6 N 0.96 0.00 0.00 4.88 1.63 -1.57 -2.80 116.57 119.68 1r6p h LYS 6 Ca 0.20 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.94 1r6p h LYS 6 Cb 0.41 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.04 1r6p h LYS 6 CO 0.01 0.68 -0.26 0.00 -3.45 0.00 0.00 179.45 176.42 1r6p h ALA 7 N 1.32 1.16 0.13 5.00 0.00 -0.66 -2.32 119.26 123.89 1r6p h ALA 7 Ca -0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 1r6p h ALA 7 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1r6p h ALA 7 CO 0.09 0.33 -1.36 0.00 0.00 0.00 0.00 179.25 178.30 1r6p h ALA 8 N 1.74 0.13 0.00 0.00 0.00 -1.38 -3.29 119.26 116.46 1r6p h ALA 8 Ca -0.00 -1.03 -0.02 0.00 0.00 0.00 0.00 54.91 53.85 1r6p h ALA 8 Cb 0.65 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1r6p h ALA 8 CO 0.03 0.78 -0.11 -0.24 0.00 0.00 0.00 179.25 179.72 1r6p h VAL 9 N -0.26 0.55 0.00 0.00 3.04 -1.46 -1.12 116.25 116.99 1r6p h VAL 9 Ca -0.28 -0.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.92 1r6p h VAL 9 Cb 1.79 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 1r6p h VAL 9 CO 0.09 0.10 -0.12 -1.84 -1.01 0.00 0.00 177.57 174.79 1r6p n GLU 10 N -3.65 0.10 -0.34 4.17 0.28 -0.88 -3.77 120.64 116.55 1r6p n GLU 10 Ca -0.02 0.07 0.06 0.00 -0.16 0.00 0.00 57.16 57.11 1r6p n GLU 10 Cb 0.22 -1.61 0.10 0.00 1.43 0.00 0.00 31.44 31.58 1r6p n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1r6p n GLN 11 N -1.78 0.84 -1.16 3.44 10.64 -0.52 -5.08 117.38 123.75 1r6p n GLN 11 Ca 0.06 -2.14 -0.30 0.00 -1.83 0.00 0.00 57.00 52.80 1r6p n GLN 11 Cb 0.38 -1.11 0.22 0.00 -0.86 0.00 0.00 30.24 28.86 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 -1.86 1.06 0.38 2.61 0.05 -0.62 -5.04 118.68 115.27 1r6p s LEU 12 Ca 0.23 0.75 0.08 0.00 0.05 0.00 0.00 54.13 55.24 1r6p s LEU 12 Cb 0.21 -2.63 -0.02 0.00 -2.05 0.00 0.00 46.19 41.70 1r6p s LEU 12 CO -0.00 -3.76 0.39 0.42 -0.55 0.00 0.00 176.35 172.84 1r6p s THR 13 N -3.05 3.13 0.26 5.48 -4.23 -1.26 -5.02 115.64 110.95 1r6p s THR 13 Ca 0.69 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 59.96 1r6p s THR 13 Cb -0.12 -3.10 0.03 0.00 1.34 0.00 0.00 72.50 70.65 1r6p s THR 13 CO 0.56 -0.07 1.66 0.44 -0.54 0.00 0.00 174.62 176.67 1r6p h ASP 14 N 1.03 0.42 0.34 3.99 3.32 -1.99 -2.41 116.42 121.11 1r6p h ASP 14 Ca -0.43 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.37 1r6p h ASP 14 Cb 1.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1r6p h ASP 14 CO 0.55 0.77 -0.35 -0.33 -1.72 0.00 0.00 179.24 178.16 1r6p h GLU 15 N 0.34 0.02 -0.29 3.56 4.39 -1.99 -0.93 114.58 119.69 1r6p h GLU 15 Ca 0.03 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 1r6p h GLU 15 Cb 0.83 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1r6p h GLU 15 CO 0.07 0.37 -0.49 0.37 -1.16 0.00 0.00 179.01 178.17 1r6p h GLN 16 N 0.02 0.78 -0.25 2.33 4.15 -1.86 -1.53 115.11 118.75 1r6p h GLN 16 Ca -0.00 -0.46 -0.04 0.00 0.77 0.00 0.00 58.65 58.91 1r6p h GLN 16 Cb 0.63 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1r6p h GLN 16 CO 0.05 1.09 -0.02 0.87 -1.93 0.00 0.00 178.83 178.89 1r6p h LYS 17 N 0.62 0.45 -0.30 1.69 1.57 -0.98 -3.03 116.57 116.60 1r6p h LYS 17 Ca 0.03 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 1r6p h LYS 17 Cb 1.07 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 1r6p h LYS 17 CO 0.11 0.64 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.67 1r6p h ASN 18 N 0.22 0.45 -0.19 0.86 2.35 -1.15 0.51 115.58 118.63 1r6p h ASN 18 Ca 0.07 -0.09 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1r6p h ASN 18 Cb 0.45 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 1r6p h ASN 18 CO 0.02 0.56 -0.11 -0.08 -1.65 0.00 0.00 177.43 176.16 1r6p h GLU 19 N 0.45 -0.10 0.16 0.81 4.81 -1.15 -1.01 114.58 118.56 1r6p h GLU 19 Ca 0.09 0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 59.01 1r6p h GLU 19 Cb 0.38 0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.79 1r6p h GLU 19 CO 0.02 -0.06 -1.61 0.74 -0.73 0.00 0.00 179.01 177.37 1r6p h PHE 20 N -0.10 0.62 -0.72 0.92 -1.00 -1.50 -3.35 116.94 111.81 1r6p h PHE 20 Ca 0.11 -0.45 0.17 0.00 2.81 0.00 0.00 57.97 60.61 1r6p h PHE 20 Cb 0.27 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.76 1r6p h PHE 20 CO -0.27 1.63 0.49 -0.22 -1.61 0.00 0.00 178.31 178.34 1r6p h LYS 21 N -0.05 0.24 0.43 1.51 3.11 0.07 0.28 116.57 122.16 1r6p h LYS 21 Ca -0.33 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.49 1r6p h LYS 21 Cb 1.97 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 33.14 1r6p h LYS 21 CO 0.14 0.16 -0.28 0.00 -2.81 0.00 0.00 179.45 176.65 1r6p h ALA 22 N 1.66 -0.68 -0.13 5.00 0.00 -1.31 0.48 119.26 124.27 1r6p h ALA 22 Ca 0.35 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1r6p h ALA 22 Cb 1.03 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1r6p h ALA 22 CO -0.08 -0.90 -0.43 0.00 0.00 0.00 0.00 179.25 177.85 1r6p h ALA 23 N -0.17 1.04 -0.53 0.00 0.00 -1.53 -2.95 119.26 115.13 1r6p h ALA 23 Ca -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1r6p h ALA 23 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1r6p h ALA 23 CO 0.04 0.61 0.25 0.35 0.00 0.00 0.00 179.25 180.50 1r6p h PHE 24 N 0.24 0.76 -0.77 0.00 3.04 -0.09 -0.89 116.94 119.24 1r6p h PHE 24 Ca 0.02 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.88 1r6p h PHE 24 Cb 0.86 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.10 1r6p h PHE 24 CO 0.02 0.60 0.30 0.22 -2.02 0.00 0.00 178.31 177.43 1r6p h ASP 25 N 0.70 1.06 -0.07 0.41 1.82 0.09 -0.39 116.42 120.06 1r6p h ASP 25 Ca 0.18 -0.17 -0.24 0.00 -0.39 0.00 0.00 57.03 56.41 1r6p h ASP 25 Cb 0.13 -0.28 0.02 0.00 0.68 0.00 0.00 39.33 39.88 1r6p h ASP 25 CO -0.02 0.95 -0.90 0.16 -1.61 0.00 0.00 179.24 177.82 1r6p h ILE 26 N 1.12 1.28 -0.14 2.25 3.07 -1.35 -0.15 117.51 123.59 1r6p h ILE 26 Ca 0.26 -2.10 -0.15 0.00 1.55 0.00 0.00 64.86 64.41 1r6p h ILE 26 Cb 0.22 2.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.97 1r6p h ILE 26 CO -0.02 0.66 -0.56 -0.26 -1.05 0.00 0.00 178.15 176.92 1r6p h PHE 27 N 0.44 0.54 -0.19 0.16 0.04 -1.09 -3.03 116.94 113.81 1r6p h PHE 27 Ca -0.09 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1r6p h PHE 27 Cb 1.54 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 39.59 1r6p h PHE 27 CO 0.10 0.89 0.00 0.44 -0.60 0.00 0.00 178.31 179.14 1r6p n ILE 28 N -3.93 0.23 -0.29 -0.55 -6.64 -0.16 -4.43 119.36 103.58 1r6p n ILE 28 Ca -0.03 -0.51 0.12 0.00 -1.77 0.00 0.00 62.75 60.55 1r6p n ILE 28 Cb 0.60 0.89 0.28 0.00 -1.44 0.00 0.00 39.64 39.97 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 0.36 -0.66 6.28 4.15 -0.88 0.10 115.11 128.13 1r6p h GLN 29 Ca 0.00 -0.02 -0.38 0.00 0.77 0.00 0.00 58.65 59.01 1r6p h GLN 29 Cb 0.80 -0.08 -0.22 0.00 0.21 0.00 0.00 27.48 28.18 1r6p h GLN 29 CO 0.00 0.24 0.16 -0.40 -1.93 0.00 0.00 178.83 176.90 1r6p n ASP 30 N -5.07 3.86 -4.91 -0.69 5.68 -1.26 -5.00 116.55 109.15 1r6p n ASP 30 Ca 0.20 -3.75 -0.32 0.00 -0.50 0.00 0.00 54.79 50.43 1r6p n ASP 30 Cb 0.61 -0.71 -0.04 0.00 -1.14 0.00 0.00 41.12 39.84 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r6p s ALA 31 N -3.40 3.93 -0.56 2.12 0.00 0.35 -5.02 121.76 119.19 1r6p s ALA 31 Ca 0.52 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.76 1r6p s ALA 31 Cb 0.44 -1.93 0.43 0.00 0.00 0.00 0.00 23.12 22.06 1r6p s ALA 31 CO 0.03 0.77 1.64 -0.85 0.00 0.00 0.00 175.76 177.34 1r6p n GLU 32 N 0.37 3.09 0.00 0.00 0.28 -1.26 -4.56 120.64 118.56 1r6p n GLU 32 Ca -0.05 -3.79 0.00 0.00 -0.16 0.00 0.00 57.16 53.16 1r6p n GLU 32 Cb 0.51 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.11 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 -0.71 0.00 0.00 -1.84 2.03 -1.26 -5.06 116.55 109.70 1r6p n ASP 33 Ca 0.52 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.83 1r6p n ASP 33 Cb 0.67 0.39 0.00 0.00 -0.72 0.00 0.00 41.12 41.46 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 -1.41 0.98 3.17 0.27 0.00 -1.26 -5.14 105.19 101.79 1r6p n GLY 34 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.78 3.41 -0.44 0.00 -5.25 -0.66 -4.66 121.20 112.82 1r6p s ILE 36 Ca -0.09 0.34 -0.25 0.00 -0.99 0.00 0.00 60.65 59.67 1r6p s ILE 36 Cb -0.05 -3.44 0.02 0.00 2.95 0.00 0.00 42.46 41.95 1r6p s ILE 36 CO 0.02 -0.55 0.89 -0.55 -1.79 0.00 0.00 174.94 172.96 1r6p s SER 37 N -4.37 6.51 0.23 4.36 0.15 -1.26 -1.16 113.70 118.16 1r6p s SER 37 Ca 0.58 0.17 -0.06 0.00 0.70 0.00 0.00 55.95 57.33 1r6p s SER 37 Cb -0.11 -2.44 0.37 0.00 -1.71 0.00 0.00 66.02 62.14 1r6p s SER 37 CO 0.50 -0.98 1.76 0.71 1.20 0.00 0.00 173.24 176.44 1r6p h THR 38 N 6.00 0.79 0.00 6.45 1.35 -1.84 0.21 112.91 125.87 1r6p h THR 38 Ca -0.24 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1r6p h THR 38 Cb 1.08 0.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1r6p h THR 38 CO 1.00 0.10 -0.09 0.07 -0.25 0.00 0.00 175.52 176.35 1r6p h LYS 39 N 0.55 0.00 -0.64 4.72 2.10 -1.92 -1.59 116.57 119.79 1r6p h LYS 39 Ca 0.37 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.82 1r6p h LYS 39 Cb 0.45 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.66 1r6p h LYS 39 CO -0.31 0.09 0.21 0.39 -2.00 0.00 0.00 179.45 177.83 1r6p n GLU 40 N -3.95 3.32 0.00 0.07 1.02 0.65 -4.48 120.64 117.26 1r6p n GLU 40 Ca -0.02 -3.07 0.08 0.00 -0.02 0.00 0.00 57.16 54.13 1r6p n GLU 40 Cb 0.18 -2.12 0.39 0.00 -0.02 0.00 0.00 31.44 29.87 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1r6p n LEU 41 N -0.38 0.00 -0.12 -4.62 0.00 -0.60 -2.84 117.00 108.44 1r6p n LEU 41 Ca 0.38 0.44 0.03 0.00 0.00 0.00 0.00 56.01 56.86 1r6p n LEU 41 Cb 1.29 -0.44 0.34 0.00 0.00 0.00 0.00 43.42 44.62 1r6p n LEU 41 CO 0.38 -0.18 1.20 1.23 0.00 0.00 0.00 177.39 180.02 1r6p h GLY 42 N 2.92 0.83 2.00 -3.96 0.00 -1.82 0.27 103.07 103.31 1r6p h GLY 42 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1r6p h GLY 42 CO 0.00 0.28 -0.12 0.50 0.00 0.00 0.00 176.54 177.20 1r6p h LYS 43 N 0.77 0.00 0.05 4.80 1.79 -1.91 -1.76 116.57 120.32 1r6p h LYS 43 Ca 0.23 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.55 1r6p h LYS 43 Cb -0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1r6p h LYS 43 CO -0.06 0.12 -0.74 0.28 -1.08 0.00 0.00 179.45 177.98 1r6p h VAL 44 N 0.00 1.38 -0.62 0.50 2.07 -0.99 -3.21 116.25 115.39 1r6p h VAL 44 Ca -0.00 -2.36 0.05 0.00 0.82 0.00 0.00 66.70 65.21 1r6p h VAL 44 Cb 0.60 2.96 -0.05 0.00 -1.52 0.00 0.00 31.29 33.28 1r6p h VAL 44 CO 0.02 0.59 0.34 0.24 0.02 0.00 0.00 177.57 178.77 1r6p h MET 45 N -0.73 0.62 -0.27 1.57 2.86 -0.51 0.18 114.93 118.65 1r6p h MET 45 Ca -0.17 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1r6p h MET 45 Cb 1.35 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1r6p h MET 45 CO -0.00 0.41 0.11 0.07 1.06 0.00 0.00 176.91 178.56 1r6p h ARG 46 N 0.64 0.37 0.02 1.72 0.11 -0.85 0.75 114.38 117.15 1r6p h ARG 46 Ca 0.28 -0.04 -0.21 0.00 0.10 0.00 0.00 59.98 60.11 1r6p h ARG 46 Cb 0.16 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.15 1r6p h ARG 46 CO -0.17 0.31 -0.95 0.52 0.10 0.00 0.00 179.97 179.79 1r6p h MET 47 N 0.38 0.14 0.00 0.08 2.86 -1.19 -3.23 114.93 113.97 1r6p h MET 47 Ca 0.10 -0.18 -0.17 0.00 -2.06 0.00 0.00 59.70 57.39 1r6p h MET 47 Cb 0.08 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1r6p h MET 47 CO -0.01 0.98 -0.82 -0.07 1.06 0.00 0.00 176.91 178.05 1r6p h LEU 48 N 0.07 0.00 0.00 1.22 4.07 0.18 -3.47 115.31 117.37 1r6p h LEU 48 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 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 0.14 0.82 0.00 0.61 -1.08 0.00 0.00 178.44 178.93 1r6p n GLY 49 N 0.99 1.90 3.23 0.83 0.00 0.79 -5.08 105.19 107.85 1r6p n GLY 49 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.12 0.99 -0.47 1.61 -1.52 0.23 -4.99 119.66 115.39 1r6p s GLN 50 Ca 0.00 -1.36 0.06 0.00 -1.95 0.00 0.00 55.36 52.11 1r6p s GLN 50 Cb 0.00 -0.57 0.24 0.00 -0.22 0.00 0.00 33.01 32.45 1r6p s GLN 50 CO 0.00 0.07 0.78 -1.71 -0.25 0.00 0.00 175.29 174.18 1r6p n ASN 51 N 0.02 -2.22 -2.27 5.90 5.15 -1.26 -2.23 115.26 118.35 1r6p n ASN 51 Ca -0.12 -3.12 0.00 0.00 -0.60 0.00 0.00 54.58 50.74 1r6p n ASN 51 Cb 0.60 1.23 0.00 0.00 -0.53 0.00 0.00 39.78 41.08 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 1.73 1.39 -3.18 1.20 -0.04 -1.26 -5.12 135.00 129.71 1r6p n PRO 52 Ca 0.13 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 1r6p n PRO 52 Cb 0.60 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.10 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 0.41 2.18 0.16 0.52 -4.23 -1.26 -4.93 115.64 108.48 1r6p s THR 53 Ca 0.00 -1.09 0.14 0.00 -1.18 0.00 0.00 61.69 59.56 1r6p s THR 53 Cb 0.00 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1r6p s THR 53 CO 0.00 0.00 1.59 1.55 -0.54 0.00 0.00 174.62 177.22 1r6p h PRO 54 N 0.35 0.00 0.10 3.99 0.13 -2.00 -0.65 132.00 133.92 1r6p h PRO 54 Ca -0.32 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.54 1r6p h PRO 54 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.44 0.57 -1.26 0.93 -0.23 0.00 0.00 178.00 178.45 1r6p h GLU 55 N 0.00 0.21 -0.02 0.86 5.08 -1.99 -2.81 114.58 115.91 1r6p h GLU 55 Ca -0.01 -0.35 -0.24 0.00 -1.00 0.00 0.00 59.36 57.76 1r6p h GLU 55 Cb 1.16 0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.55 1r6p h GLU 55 CO 0.07 1.14 -0.96 1.49 -1.00 0.00 0.00 179.01 179.74 1r6p h GLU 56 N 0.06 0.58 -0.04 2.33 4.81 -1.94 -2.71 114.58 117.67 1r6p h GLU 56 Ca -0.14 -0.60 -0.15 0.00 -0.13 0.00 0.00 59.36 58.34 1r6p h GLU 56 Cb 1.94 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.48 1r6p h GLU 56 CO 0.18 1.22 -0.64 1.37 -0.73 0.00 0.00 179.01 180.40 1r6p h LEU 57 N 0.34 0.19 -0.10 1.64 8.10 -1.22 -2.99 115.31 121.27 1r6p h LEU 57 Ca -0.10 -0.12 -0.11 0.00 0.11 0.00 0.00 57.88 57.67 1r6p h LEU 57 Cb 1.61 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 41.77 1r6p h LEU 57 CO 0.18 0.78 -0.35 -0.61 -4.11 0.00 0.00 178.44 174.33 1r6p h GLN 58 N 0.12 0.42 -0.52 0.17 5.75 -1.53 -2.60 115.11 116.92 1r6p h GLN 58 Ca -0.01 -0.31 -0.01 0.00 -0.15 0.00 0.00 58.65 58.16 1r6p h GLN 58 Cb 1.15 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 1r6p h GLN 58 CO 0.09 0.94 0.28 1.05 -2.65 0.00 0.00 178.83 178.54 1r6p h GLU 59 N -0.02 0.71 -0.00 1.69 4.11 -1.52 -0.38 114.58 119.16 1r6p h GLU 59 Ca -0.01 -0.07 -0.16 0.00 0.07 0.00 0.00 59.36 59.18 1r6p h GLU 59 Cb 0.98 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1r6p h GLU 59 CO 0.07 0.53 -0.75 0.00 0.07 0.00 0.00 179.01 178.94 1r6p h MET 60 N 0.72 0.03 -0.04 1.06 -0.00 -1.56 -2.88 114.93 112.26 1r6p h MET 60 Ca 0.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.70 59.83 1r6p h MET 60 Cb 0.03 0.01 -0.00 0.00 -0.00 0.00 0.00 31.60 31.64 1r6p h MET 60 CO -0.03 0.77 -0.06 0.82 -0.00 0.00 0.00 176.91 178.41 1r6p h ILE 61 N 0.02 1.40 -0.86 -0.10 2.04 -0.96 -2.81 117.51 116.25 1r6p h ILE 61 Ca -0.01 -1.29 0.12 0.00 1.00 0.00 0.00 64.86 64.68 1r6p h ILE 61 Cb 1.32 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 39.51 1r6p h ILE 61 CO 0.10 0.35 0.56 0.44 0.00 0.00 0.00 178.15 179.59 1r6p h ASP 62 N -0.37 0.68 -0.05 1.72 5.19 -1.13 0.58 116.42 123.03 1r6p h ASP 62 Ca 0.00 0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1r6p h ASP 62 Cb 0.60 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1r6p h ASP 62 CO 0.01 0.38 0.02 -0.33 -3.12 0.00 0.00 179.24 176.20 1r6p h GLU 63 N 0.74 0.08 0.00 3.56 5.08 -1.44 -2.97 114.58 119.62 1r6p h GLU 63 Ca 0.41 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.66 1r6p h GLU 63 Cb 0.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1r6p h GLU 63 CO -0.18 0.21 -0.46 -0.24 -1.00 0.00 0.00 179.01 177.34 1r6p h VAL 64 N -0.06 0.93 -2.08 3.13 3.04 -1.09 -3.41 116.25 116.71 1r6p h VAL 64 Ca 0.02 -1.89 -0.53 0.00 -1.01 0.00 0.00 66.70 63.29 1r6p h VAL 64 Cb 0.15 2.16 -0.07 0.00 -2.01 0.00 0.00 31.29 31.52 1r6p h VAL 64 CO -0.00 0.45 1.16 -0.62 -1.01 0.00 0.00 177.57 177.55 1r6p s ASP 65 N -6.46 5.99 0.42 3.17 -1.08 0.20 -4.79 116.67 114.11 1r6p s ASP 65 Ca 0.01 -0.42 0.11 0.00 -0.52 0.00 0.00 52.55 51.73 1r6p s ASP 65 Cb 0.10 -2.56 0.95 0.00 -1.46 0.00 0.00 42.92 39.95 1r6p s ASP 65 CO 0.71 -1.94 2.02 1.05 0.52 0.00 0.00 175.17 177.54 1r6p h GLU 66 N 11.01 0.46 0.00 4.34 4.11 -1.80 -3.01 114.58 129.69 1r6p h GLU 66 Ca -0.21 -0.03 -0.37 0.00 0.07 0.00 0.00 59.36 58.82 1r6p h GLU 66 Cb 1.07 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.14 1r6p h GLU 66 CO 1.28 0.31 -2.40 -0.40 0.07 0.00 0.00 179.01 177.87 1r6p n ASP 67 N -4.47 0.77 -2.07 3.06 5.68 -1.26 -5.03 116.55 113.22 1r6p n ASP 67 Ca 0.06 -0.03 -0.08 0.00 -0.50 0.00 0.00 54.79 54.24 1r6p n ASP 67 Cb 0.22 0.43 0.04 0.00 -1.14 0.00 0.00 41.12 40.67 1r6p n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r6p n GLY 68 N 1.93 0.10 0.31 6.12 0.00 -1.14 -4.94 105.19 107.57 1r6p n GLY 68 Ca -0.37 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.80 0.98 0.00 1.61 3.41 -1.26 -4.89 113.62 111.67 1r6p n SER 69 Ca -0.12 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 1r6p n SER 69 Cb 0.57 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 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 1.12 0.53 3.03 5.00 0.00 -1.26 -5.03 105.19 108.58 1r6p n GLY 70 Ca 0.20 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 -0.03 -0.19 2.61 -4.23 -1.26 -2.63 115.64 107.92 1r6p s THR 71 Ca 0.00 0.10 -0.21 0.00 -1.18 0.00 0.00 61.69 60.39 1r6p s THR 71 Cb 0.00 -0.30 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 1r6p s THR 71 CO 0.00 0.04 0.66 -0.69 -0.54 0.00 0.00 174.62 174.09 1r6p s VAL 72 N 0.78 5.01 0.56 2.29 1.01 -0.31 -4.84 120.40 124.89 1r6p s VAL 72 Ca -0.06 1.25 -0.08 0.00 0.00 0.00 0.00 61.98 63.10 1r6p s VAL 72 Cb -0.07 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1r6p s VAL 72 CO -0.04 0.11 0.91 -1.81 0.00 0.00 0.00 175.10 174.27 1r6p s ASP 73 N 1.16 6.19 0.50 3.32 1.11 -1.26 -1.65 116.67 126.03 1r6p s ASP 73 Ca 0.30 1.14 0.18 0.00 0.18 0.00 0.00 52.55 54.35 1r6p s ASP 73 Cb -0.16 -2.31 1.24 0.00 1.07 0.00 0.00 42.92 42.76 1r6p s ASP 73 CO 0.11 -0.76 2.07 0.15 1.18 0.00 0.00 175.17 177.92 1r6p h PHE 74 N -0.07 0.11 -0.20 4.23 3.57 -1.97 0.63 116.94 123.24 1r6p h PHE 74 Ca -0.45 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 1r6p h PHE 74 Cb 1.20 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1r6p h PHE 74 CO 0.61 0.06 -0.25 -0.44 -2.23 0.00 0.00 178.31 176.06 1r6p h ASP 75 N 0.11 0.56 0.46 0.41 3.32 -1.98 -1.56 116.42 117.74 1r6p h ASP 75 Ca 0.13 -0.50 -0.09 0.00 0.02 0.00 0.00 57.03 56.58 1r6p h ASP 75 Cb 0.38 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1r6p h ASP 75 CO -0.01 0.95 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.68 1r6p h GLU 76 N 0.18 0.00 0.05 3.56 5.08 -1.50 -0.13 114.58 121.82 1r6p h GLU 76 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1r6p h GLU 76 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1r6p h GLU 76 CO 0.06 0.44 -0.02 0.35 -1.00 0.00 0.00 179.01 178.84 1r6p h PHE 77 N 0.00 -0.06 0.00 4.33 3.57 0.35 -2.56 116.94 122.57 1r6p h PHE 77 Ca -0.00 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1r6p h PHE 77 Cb 0.79 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 1r6p h PHE 77 CO 0.00 0.24 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.76 1r6p h LEU 78 N -0.36 0.00 -0.37 0.59 4.07 -1.21 -3.13 115.31 114.91 1r6p h LEU 78 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1r6p h LEU 78 Cb 0.32 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 1r6p h LEU 78 CO 0.01 0.48 0.22 0.58 -1.08 0.00 0.00 178.44 178.65 1r6p h VAL 79 N 0.00 1.13 -1.01 1.22 2.07 -0.92 -2.05 116.25 116.69 1r6p h VAL 79 Ca -0.00 -0.30 0.29 0.00 0.82 0.00 0.00 66.70 67.51 1r6p h VAL 79 Cb 0.98 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1r6p h VAL 79 CO 0.06 0.13 0.75 -0.03 0.02 0.00 0.00 177.57 178.51 1r6p h MET 80 N 0.48 0.00 0.48 1.57 -1.53 -1.39 0.16 114.93 114.70 1r6p h MET 80 Ca 0.13 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.37 1r6p h MET 80 Cb 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 1r6p h MET 80 CO -0.02 0.00 -0.23 1.98 0.14 0.00 0.00 176.91 178.78 1r6p h MET 81 N 0.00 -0.62 -0.03 0.39 -1.53 -1.49 -2.42 114.93 109.23 1r6p h MET 81 Ca 0.48 0.04 -0.07 0.00 -3.44 0.00 0.00 59.70 56.71 1r6p h MET 81 Cb 1.98 0.14 -0.01 0.00 -0.55 0.00 0.00 31.60 33.16 1r6p h MET 81 CO -0.01 -0.32 -0.33 -0.39 0.14 0.00 0.00 176.91 176.00 1r6p h VAL 82 N -0.87 1.25 -0.99 -5.77 -1.51 -1.26 -2.67 116.25 104.42 1r6p h VAL 82 Ca -0.07 -1.19 0.06 0.00 -1.23 0.00 0.00 66.70 64.28 1r6p h VAL 82 Cb 0.58 1.60 -0.07 0.00 -2.13 0.00 0.00 31.29 31.28 1r6p h VAL 82 CO 0.11 0.34 0.64 0.03 -1.23 0.00 0.00 177.57 177.46 1r6p h ARG 83 N 0.05 1.13 -0.44 5.19 2.47 -0.62 0.13 114.38 122.29 1r6p h ARG 83 Ca 0.00 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 58.54 1r6p h ARG 83 Cb 0.61 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 1r6p h ARG 83 CO 0.04 0.75 -0.19 0.00 0.56 0.00 0.00 179.97 181.13 1r6p h MET 85 N 0.76 -0.46 -3.51 0.00 2.86 -1.20 -3.45 114.93 109.94 1r6p h MET 85 Ca 0.11 0.03 -0.34 0.00 -2.06 0.00 0.00 59.70 57.44 1r6p h MET 85 Cb 0.72 0.10 -0.36 0.00 0.06 0.00 0.00 31.60 32.13 1r6p h MET 85 CO 0.06 -0.14 -0.74 0.21 1.06 0.00 0.00 176.91 177.36 1r6p s LYS 86 N -4.45 0.06 -0.16 1.72 2.36 0.36 -5.00 119.74 114.63 1r6p s LYS 86 Ca -0.14 0.22 0.06 0.00 -2.55 0.00 0.00 55.97 53.56 1r6p s LYS 86 Cb 0.02 -0.42 0.19 0.00 -1.05 0.00 0.00 37.83 36.56 1r6p s LYS 86 CO 0.50 -0.22 1.14 -0.40 1.55 0.00 0.00 175.35 177.92 1r6p n ASP 87 N 4.58 -1.06 -2.56 1.43 5.75 -1.24 -4.23 116.55 119.22 1r6p n ASP 87 Ca -0.19 -1.88 -0.01 0.00 -0.01 0.00 0.00 54.79 52.70 1r6p n ASP 87 Cb 0.50 0.43 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1r6p n ASP 88 N -0.72 -7.18 -0.45 -1.12 2.03 -1.26 -5.13 116.55 102.72 1r6p n ASP 88 Ca -0.19 1.13 0.14 0.00 0.52 0.00 0.00 54.79 56.39 1r6p n ASP 88 Cb 0.73 -4.75 0.55 0.00 -0.72 0.00 0.00 41.12 36.94 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74