#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 1.63 0.22 7.83 3.02 -1.26 -4.77 115.26 121.93 1r6p n ASN 2 Ca 0.00 -3.13 0.05 0.00 -0.03 0.00 0.00 54.58 51.47 1r6p n ASN 2 Cb 0.00 -0.42 0.51 0.00 -0.61 0.00 0.00 39.78 39.26 1r6p n ASN 2 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1r6p h ASP 3 N 0.53 0.02 0.06 6.41 2.03 -2.06 -2.13 116.42 121.28 1r6p h ASP 3 Ca -0.03 -0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.22 1r6p h ASP 3 Cb 1.17 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 1r6p h ASP 3 CO 0.01 0.17 -0.13 0.16 -1.03 0.00 0.00 179.24 178.42 1r6p h ILE 4 N 0.02 1.16 0.16 4.15 -2.65 -2.00 -0.54 117.51 117.82 1r6p h ILE 4 Ca 0.00 -0.71 -0.29 0.00 1.03 0.00 0.00 64.86 64.89 1r6p h ILE 4 Cb 0.27 1.23 0.01 0.00 -2.05 0.00 0.00 36.82 36.28 1r6p h ILE 4 CO 0.02 0.22 -1.33 1.88 0.03 0.00 0.00 178.15 178.97 1r6p h TYR 5 N 0.17 0.63 -0.11 0.16 0.05 -1.78 -3.11 116.97 112.97 1r6p h TYR 5 Ca 0.03 -0.46 -0.08 0.00 0.05 0.00 0.00 58.73 58.28 1r6p h TYR 5 Cb 0.34 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1r6p h TYR 5 CO 0.00 1.37 -0.28 0.87 -1.05 0.00 0.00 178.16 179.07 1r6p h LYS 6 N 0.09 0.20 -0.08 4.88 1.57 -1.07 -1.90 116.57 120.27 1r6p h LYS 6 Ca -0.17 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.39 1r6p h LYS 6 Cb 2.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.31 1r6p h LYS 6 CO 0.22 0.47 -0.60 0.00 -0.57 0.00 0.00 179.45 178.98 1r6p h ALA 7 N 1.53 0.83 -0.09 3.86 0.00 -1.16 -2.10 119.26 122.14 1r6p h ALA 7 Ca 0.03 -0.54 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1r6p h ALA 7 Cb 0.60 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1r6p h ALA 7 CO 0.04 0.72 -0.44 0.00 0.00 0.00 0.00 179.25 179.57 1r6p h ALA 8 N 1.17 0.18 0.00 0.00 0.00 -1.41 -2.56 119.26 116.64 1r6p h ALA 8 Ca -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1r6p h ALA 8 Cb 1.11 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1r6p h ALA 8 CO 0.09 0.32 -0.14 -0.24 0.00 0.00 0.00 179.25 179.29 1r6p h VAL 9 N 0.04 0.48 0.00 0.00 3.04 -1.37 -1.26 116.25 117.18 1r6p h VAL 9 Ca -0.03 -0.69 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1r6p h VAL 9 Cb 1.09 1.48 0.00 0.00 -2.01 0.00 0.00 31.29 31.85 1r6p h VAL 9 CO 0.09 0.13 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.19 1r6p h GLU 10 N 0.00 0.00 -0.01 4.17 4.39 -1.30 -3.32 114.58 118.51 1r6p h GLU 10 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1r6p h GLU 10 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1r6p h GLU 10 CO 0.02 0.00 -0.14 0.00 -1.16 0.00 0.00 179.01 177.72 1r6p n GLN 11 N -2.87 1.43 -0.97 2.33 10.64 -0.82 -5.02 117.38 122.10 1r6p n GLN 11 Ca 0.03 -1.03 -0.29 0.00 -1.83 0.00 0.00 57.00 53.88 1r6p n GLN 11 Cb 0.52 -1.23 0.22 0.00 -0.86 0.00 0.00 30.24 28.89 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 -1.54 0.87 0.54 2.61 0.05 -0.54 -5.04 118.68 115.63 1r6p s LEU 12 Ca 0.14 0.99 -0.04 0.00 0.05 0.00 0.00 54.13 55.27 1r6p s LEU 12 Cb 0.11 -2.89 0.00 0.00 -2.05 0.00 0.00 46.19 41.37 1r6p s LEU 12 CO 0.26 -3.88 0.82 0.42 -0.55 0.00 0.00 176.35 173.42 1r6p s THR 13 N -2.84 3.83 0.33 5.48 -4.23 -1.26 -4.99 115.64 111.96 1r6p s THR 13 Ca 0.68 -0.16 0.10 0.00 -1.18 0.00 0.00 61.69 61.13 1r6p s THR 13 Cb -0.16 -3.48 0.06 0.00 1.34 0.00 0.00 72.50 70.26 1r6p s THR 13 CO 0.58 -0.44 1.76 -0.78 -0.54 0.00 0.00 174.62 175.20 1r6p h ASP 14 N 0.04 0.11 -0.10 3.99 3.58 -2.00 -2.52 116.42 119.52 1r6p h ASP 14 Ca -0.46 -0.04 -0.06 0.00 0.42 0.00 0.00 57.03 56.89 1r6p h ASP 14 Cb 1.25 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.26 1r6p h ASP 14 CO 0.59 0.50 -0.12 -0.33 -2.88 0.00 0.00 179.24 177.01 1r6p h GLU 15 N 0.09 0.44 -0.28 0.28 5.08 -1.98 -0.08 114.58 118.13 1r6p h GLU 15 Ca 0.01 -0.12 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1r6p h GLU 15 Cb 0.75 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1r6p h GLU 15 CO 0.06 0.56 -0.28 1.96 -1.00 0.00 0.00 179.01 180.30 1r6p h GLN 16 N 0.41 0.68 -0.48 2.33 4.20 -1.85 0.38 115.11 120.79 1r6p h GLN 16 Ca 0.08 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 1r6p h GLN 16 Cb 0.46 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1r6p h GLN 16 CO 0.03 0.97 0.16 0.87 -0.67 0.00 0.00 178.83 180.19 1r6p h LYS 17 N 0.42 0.73 -0.11 1.46 1.57 -1.18 -2.62 116.57 116.84 1r6p h LYS 17 Ca 0.04 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 1r6p h LYS 17 Cb 0.85 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1r6p h LYS 17 CO 0.07 0.68 -0.36 -0.91 -0.57 0.00 0.00 179.45 178.36 1r6p h ASN 18 N 0.63 0.22 -0.27 0.86 2.35 -0.97 0.38 115.58 118.79 1r6p h ASN 18 Ca 0.15 -0.08 0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1r6p h ASN 18 Cb 0.25 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 1r6p h ASN 18 CO -0.01 0.57 0.04 -0.08 -1.65 0.00 0.00 177.43 176.31 1r6p h GLU 19 N 0.19 0.13 0.07 0.81 4.81 -0.54 0.10 114.58 120.15 1r6p h GLU 19 Ca 0.02 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1r6p h GLU 19 Cb 0.73 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 30.10 1r6p h GLU 19 CO 0.06 0.09 -0.49 0.74 -0.73 0.00 0.00 179.01 178.67 1r6p h PHE 20 N 0.14 0.37 -0.82 0.92 0.04 -1.42 -3.30 116.94 112.86 1r6p h PHE 20 Ca 0.13 -0.25 0.17 0.00 2.80 0.00 0.00 57.97 60.81 1r6p h PHE 20 Cb 0.14 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.21 1r6p h PHE 20 CO -0.17 1.15 0.54 -0.22 -0.60 0.00 0.00 178.31 179.01 1r6p h LYS 21 N -0.52 0.42 0.26 1.51 1.63 -0.83 0.63 116.57 119.67 1r6p h LYS 21 Ca -0.08 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1r6p h LYS 21 Cb 1.34 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 1r6p h LYS 21 CO 0.09 0.28 -0.13 0.00 -3.45 0.00 0.00 179.45 176.25 1r6p h ALA 22 N 1.63 -0.35 -0.31 5.00 0.00 -0.88 0.24 119.26 124.59 1r6p h ALA 22 Ca 0.41 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1r6p h ALA 22 Cb 0.94 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1r6p h ALA 22 CO -0.14 -0.66 -0.23 0.00 0.00 0.00 0.00 179.25 178.22 1r6p h ALA 23 N 0.30 1.02 -0.35 0.00 0.00 -1.38 -2.73 119.26 116.12 1r6p h ALA 23 Ca -0.04 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1r6p h ALA 23 Cb 0.32 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1r6p h ALA 23 CO 0.06 0.59 0.22 0.35 0.00 0.00 0.00 179.25 180.47 1r6p h PHE 24 N 0.53 0.45 -0.65 0.00 3.04 0.53 -1.56 116.94 119.28 1r6p h PHE 24 Ca 0.08 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.95 1r6p h PHE 24 Cb 0.68 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.02 1r6p h PHE 24 CO 0.03 0.31 0.09 0.22 -2.02 0.00 0.00 178.31 176.93 1r6p h ASP 25 N 0.47 1.05 -0.07 0.41 3.58 -0.39 -0.93 116.42 120.54 1r6p h ASP 25 Ca 0.13 -0.26 -0.16 0.00 0.42 0.00 0.00 57.03 57.16 1r6p h ASP 25 Cb -0.03 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 40.74 1r6p h ASP 25 CO -0.03 1.05 -0.51 0.16 -2.88 0.00 0.00 179.24 177.03 1r6p h ILE 26 N 1.01 1.31 0.01 2.25 3.07 -1.33 0.08 117.51 123.91 1r6p h ILE 26 Ca 0.20 -1.73 -0.20 0.00 1.55 0.00 0.00 64.86 64.68 1r6p h ILE 26 Cb 0.46 1.68 -0.02 0.00 -0.27 0.00 0.00 36.82 38.68 1r6p h ILE 26 CO 0.02 0.55 -0.89 -0.26 -1.05 0.00 0.00 178.15 176.51 1r6p h PHE 27 N 0.50 0.20 -0.67 0.16 0.04 -1.21 -3.15 116.94 112.82 1r6p h PHE 27 Ca 0.02 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1r6p h PHE 27 Cb 1.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.20 1r6p h PHE 27 CO 0.05 0.95 0.00 0.44 -0.60 0.00 0.00 178.31 179.15 1r6p n ILE 28 N -3.60 1.05 -0.34 -0.55 -6.64 -0.36 -4.49 119.36 104.43 1r6p n ILE 28 Ca -0.03 -0.94 0.17 0.00 -1.77 0.00 0.00 62.75 60.18 1r6p n ILE 28 Cb 0.82 0.39 0.39 0.00 -1.44 0.00 0.00 39.64 39.80 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 3.93 0.58 -0.38 6.28 4.15 -0.92 0.15 115.11 128.91 1r6p h GLN 29 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1r6p h GLN 29 Cb 0.99 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.55 1r6p h GLN 29 CO 0.04 0.39 0.00 -0.25 -1.93 0.00 0.00 178.83 177.08 1r6p n ASP 30 N -4.78 4.50 -4.92 -0.69 8.00 -1.26 -4.99 116.55 112.41 1r6p n ASP 30 Ca 0.25 -2.95 -0.30 0.00 0.71 0.00 0.00 54.79 52.50 1r6p n ASP 30 Cb 0.71 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r6p s ALA 31 N -2.74 3.98 -0.35 2.24 0.00 0.54 -5.03 121.76 120.40 1r6p s ALA 31 Ca 0.46 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.66 1r6p s ALA 31 Cb 0.36 -1.84 0.45 0.00 0.00 0.00 0.00 23.12 22.09 1r6p s ALA 31 CO 0.12 0.76 1.12 0.39 0.00 0.00 0.00 175.76 178.15 1r6p n GLU 32 N 0.10 3.07 0.00 0.00 1.02 -1.26 -4.75 120.64 118.82 1r6p n GLU 32 Ca -0.05 -4.13 0.00 0.00 -0.02 0.00 0.00 57.16 52.96 1r6p n GLU 32 Cb 0.52 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.86 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1r6p n ASP 33 N -0.54 0.03 0.00 1.62 8.00 -1.26 -5.08 116.55 119.32 1r6p n ASP 33 Ca 0.34 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1r6p n ASP 33 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r6p n GLY 34 N 1.59 0.88 3.58 0.44 0.00 -1.26 -5.14 105.19 105.27 1r6p n GLY 34 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.18 2.15 -0.41 0.00 -5.25 0.39 -4.78 121.20 113.12 1r6p s ILE 36 Ca -0.04 -0.27 -0.21 0.00 -0.99 0.00 0.00 60.65 59.15 1r6p s ILE 36 Cb -0.03 -2.88 0.02 0.00 2.95 0.00 0.00 42.46 42.51 1r6p s ILE 36 CO 0.04 0.00 0.64 -0.55 -1.79 0.00 0.00 174.94 173.28 1r6p s SER 37 N -4.69 6.36 0.41 4.36 0.15 -1.26 -1.42 113.70 117.62 1r6p s SER 37 Ca 0.66 -0.16 0.12 0.00 0.70 0.00 0.00 55.95 57.27 1r6p s SER 37 Cb -0.07 -2.32 0.95 0.00 -1.71 0.00 0.00 66.02 62.87 1r6p s SER 37 CO 0.47 -0.71 1.97 0.71 1.20 0.00 0.00 173.24 176.88 1r6p h THR 38 N 5.80 0.93 -0.40 6.45 1.35 -1.81 0.22 112.91 125.45 1r6p h THR 38 Ca -0.26 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.41 1r6p h THR 38 Cb 1.10 0.38 -0.02 0.00 -1.73 0.00 0.00 68.15 67.88 1r6p h THR 38 CO 0.87 0.09 0.17 0.11 -0.25 0.00 0.00 175.52 176.51 1r6p h LYS 39 N 0.50 0.56 -0.77 4.72 1.57 -1.92 -1.42 116.57 119.82 1r6p h LYS 39 Ca 0.29 -0.07 -0.32 0.00 -1.87 0.00 0.00 60.65 58.68 1r6p h LYS 39 Cb 0.47 -0.11 -0.19 0.00 0.08 0.00 0.00 32.23 32.49 1r6p h LYS 39 CO -0.09 0.46 0.36 0.39 -0.57 0.00 0.00 179.45 180.00 1r6p n GLU 40 N -4.39 2.90 0.11 3.15 1.02 0.69 -4.54 120.64 119.58 1r6p n GLU 40 Ca 0.03 -3.07 0.05 0.00 -0.02 0.00 0.00 57.16 54.15 1r6p n GLU 40 Cb 0.14 -2.14 0.49 0.00 -0.02 0.00 0.00 31.44 29.91 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 1.79 0.27 -1.40 -4.62 6.46 -0.23 -1.46 115.31 116.11 1r6p h LEU 41 Ca 0.39 -0.01 0.09 0.00 -0.12 0.00 0.00 57.88 58.23 1r6p h LEU 41 Cb 2.42 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 42.23 1r6p h LEU 41 CO 0.81 0.23 0.49 1.23 -0.62 0.00 0.00 178.44 180.59 1r6p h GLY 42 N 0.39 0.95 2.00 3.75 0.00 -1.82 0.54 103.07 108.88 1r6p h GLY 42 Ca 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 1r6p h GLY 42 CO -0.01 0.17 -0.16 0.50 0.00 0.00 0.00 176.54 177.04 1r6p h LYS 43 N 0.67 0.00 0.09 4.80 1.57 -1.62 0.27 116.57 122.34 1r6p h LYS 43 Ca 0.34 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.75 1r6p h LYS 43 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1r6p h LYS 43 CO -0.12 0.16 -2.14 1.33 -0.57 0.00 0.00 179.45 178.10 1r6p n VAL 44 N -4.06 1.69 -0.05 0.50 0.24 0.28 -3.38 118.33 113.55 1r6p n VAL 44 Ca -0.02 -0.64 -0.12 0.00 -2.04 0.00 0.00 64.34 61.52 1r6p n VAL 44 Cb 0.24 -1.62 -0.06 0.00 -1.47 0.00 0.00 33.84 30.92 1r6p n VAL 44 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1r6p h MET 45 N 0.05 0.30 -0.24 7.34 4.05 0.07 -0.74 114.93 125.76 1r6p h MET 45 Ca -0.47 -0.11 -0.05 0.00 -0.28 0.00 0.00 59.70 58.79 1r6p h MET 45 Cb 2.00 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.76 1r6p h MET 45 CO 0.04 0.56 -0.06 0.00 0.23 0.00 0.00 176.91 177.68 1r6p h ARG 46 N 0.01 0.37 -0.21 0.39 3.08 0.81 0.49 114.38 119.32 1r6p h ARG 46 Ca 0.04 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 1r6p h ARG 46 Cb 0.45 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1r6p h ARG 46 CO 0.01 0.45 -0.40 0.52 -1.07 0.00 0.00 179.97 179.49 1r6p h MET 47 N 0.36 0.49 -0.06 0.04 2.86 -1.53 -2.89 114.93 114.21 1r6p h MET 47 Ca 0.08 -0.24 -0.18 0.00 -2.06 0.00 0.00 59.70 57.29 1r6p h MET 47 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1r6p h MET 47 CO 0.02 0.81 -0.73 -0.07 1.06 0.00 0.00 176.91 177.99 1r6p h LEU 48 N 0.41 0.40 0.00 1.22 4.07 -0.27 -3.47 115.31 117.66 1r6p h LEU 48 Ca 0.04 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.73 1r6p h LEU 48 Cb 0.87 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.50 1r6p h LEU 48 CO 0.07 1.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.04 1r6p n GLY 49 N 0.56 1.19 2.95 0.83 0.00 0.21 -5.09 105.19 105.84 1r6p n GLY 49 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.30 -0.58 1.61 -1.52 0.15 -4.96 119.66 115.66 1r6p s GLN 50 Ca 0.00 -0.26 0.04 0.00 -1.95 0.00 0.00 55.36 53.19 1r6p s GLN 50 Cb 0.00 -1.18 0.17 0.00 -0.22 0.00 0.00 33.01 31.78 1r6p s GLN 50 CO 0.00 -0.05 0.42 -0.80 -0.25 0.00 0.00 175.29 174.60 1r6p s ASN 51 N 0.90 3.53 0.06 5.90 0.01 -1.26 -1.36 114.94 122.71 1r6p s ASN 51 Ca -0.11 -3.47 0.00 0.00 -0.71 0.00 0.00 52.86 48.57 1r6p s ASN 51 Cb -0.15 -1.17 0.00 0.00 0.41 0.00 0.00 41.25 40.34 1r6p s ASN 51 CO 0.01 -0.13 0.00 -0.81 -1.51 0.00 0.00 177.10 174.66 1r6p n PRO 52 N 2.42 1.33 -3.50 -0.60 -0.04 -1.26 -5.12 135.00 128.22 1r6p n PRO 52 Ca 0.22 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.46 1r6p n PRO 52 Cb 0.39 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.35 2.06 0.07 0.52 -4.23 -1.26 -4.94 115.64 108.20 1r6p s THR 53 Ca 0.00 -1.28 0.18 0.00 -1.18 0.00 0.00 61.69 59.41 1r6p s THR 53 Cb 0.00 -2.33 0.11 0.00 1.34 0.00 0.00 72.50 71.62 1r6p s THR 53 CO 0.00 0.00 1.65 1.55 -0.54 0.00 0.00 174.62 177.28 1r6p h PRO 54 N 0.60 0.00 0.16 3.99 0.13 -2.00 0.94 132.00 135.83 1r6p h PRO 54 Ca -0.35 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.50 1r6p h PRO 54 Cb 1.29 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.45 1r6p h PRO 54 CO 0.51 0.41 -1.17 0.93 -0.23 0.00 0.00 178.00 178.45 1r6p h GLU 55 N 0.00 0.51 -0.13 0.86 5.08 -2.00 -3.09 114.58 115.81 1r6p h GLU 55 Ca -0.00 -0.76 -0.19 0.00 -1.00 0.00 0.00 59.36 57.40 1r6p h GLU 55 Cb 1.05 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.56 1r6p h GLU 55 CO 0.05 1.35 -0.72 1.49 -1.00 0.00 0.00 179.01 180.19 1r6p h GLU 56 N 0.05 0.57 -0.40 2.33 4.81 -1.95 -1.89 114.58 118.10 1r6p h GLU 56 Ca -0.19 -0.45 0.06 0.00 -0.13 0.00 0.00 59.36 58.65 1r6p h GLU 56 Cb 1.89 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 31.30 1r6p h GLU 56 CO 0.22 1.07 0.08 1.25 -0.73 0.00 0.00 179.01 180.91 1r6p h LEU 57 N 0.40 0.02 -0.66 1.64 7.12 -0.90 -0.52 115.31 122.41 1r6p h LEU 57 Ca -0.03 0.07 -0.14 0.00 0.13 0.00 0.00 57.88 57.90 1r6p h LEU 57 Cb 1.31 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 41.51 1r6p h LEU 57 CO 0.13 0.05 -0.57 1.56 -0.13 0.00 0.00 178.44 179.48 1r6p h GLN 58 N 0.21 0.31 -0.57 1.25 1.08 -1.54 -3.03 115.11 112.82 1r6p h GLN 58 Ca 0.19 -0.20 0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1r6p h GLN 58 Cb 0.23 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 1r6p h GLN 58 CO -0.25 0.79 0.35 0.93 -0.95 0.00 0.00 178.83 179.70 1r6p h GLU 59 N 0.24 0.66 -0.32 1.46 5.08 -0.43 0.17 114.58 121.44 1r6p h GLU 59 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1r6p h GLU 59 Cb 1.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1r6p h GLU 59 CO 0.09 0.44 0.19 0.52 -1.00 0.00 0.00 179.01 179.24 1r6p h MET 60 N 0.68 0.44 0.46 2.33 2.86 -1.08 -1.97 114.93 118.65 1r6p h MET 60 Ca 0.23 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1r6p h MET 60 Cb 0.03 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1r6p h MET 60 CO -0.10 0.35 -0.22 0.82 1.06 0.00 0.00 176.91 178.82 1r6p h ILE 61 N 0.41 0.54 -0.50 -1.22 2.04 -1.34 0.21 117.51 117.64 1r6p h ILE 61 Ca 0.11 -0.14 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1r6p h ILE 61 Cb 0.03 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1r6p h ILE 61 CO -0.02 0.03 0.42 -0.78 0.00 0.00 0.00 178.15 177.80 1r6p h ASP 62 N -0.71 0.00 0.03 1.72 3.58 -0.61 0.43 116.42 120.87 1r6p h ASP 62 Ca -0.06 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.16 1r6p h ASP 62 Cb 0.52 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 1r6p h ASP 62 CO 0.10 0.00 -1.24 -0.33 -2.88 0.00 0.00 179.24 174.90 1r6p h GLU 63 N 0.00 0.06 -0.19 0.28 5.08 -1.01 -3.40 114.58 115.41 1r6p h GLU 63 Ca 0.24 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.28 1r6p h GLU 63 Cb 1.08 0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.38 1r6p h GLU 63 CO -0.00 1.05 -0.72 -0.24 -1.00 0.00 0.00 179.01 178.10 1r6p h VAL 64 N -0.78 1.28 -2.63 3.13 3.04 -0.22 -3.42 116.25 116.64 1r6p h VAL 64 Ca -0.32 -1.91 -0.56 0.00 -1.01 0.00 0.00 66.70 62.91 1r6p h VAL 64 Cb 1.42 1.89 -0.04 0.00 -2.01 0.00 0.00 31.29 32.56 1r6p h VAL 64 CO -0.12 0.61 1.25 -0.62 -1.01 0.00 0.00 177.57 177.68 1r6p s ASP 65 N -7.06 5.84 0.08 3.17 -1.08 0.15 -4.86 116.67 112.90 1r6p s ASP 65 Ca -0.10 0.94 -0.20 0.00 -0.52 0.00 0.00 52.55 52.66 1r6p s ASP 65 Cb 0.09 -2.53 -0.10 0.00 -1.46 0.00 0.00 42.92 38.91 1r6p s ASP 65 CO 0.90 -1.81 1.56 -0.33 0.52 0.00 0.00 175.17 176.01 1r6p h GLU 66 N 12.85 0.29 0.19 4.34 5.08 -1.86 -3.23 114.58 132.23 1r6p h GLU 66 Ca -0.30 -0.07 -0.31 0.00 -1.00 0.00 0.00 59.36 57.67 1r6p h GLU 66 Cb 1.15 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 30.38 1r6p h GLU 66 CO 1.09 0.44 -1.45 0.38 -1.00 0.00 0.00 179.01 178.47 1r6p h ASP 67 N 0.09 0.61 -2.78 1.42 2.03 -1.97 -3.49 116.42 112.33 1r6p h ASP 67 Ca 0.05 -0.71 -0.09 0.00 -0.73 0.00 0.00 57.03 55.56 1r6p h ASP 67 Cb 0.28 -0.20 0.04 0.00 -0.83 0.00 0.00 39.33 38.62 1r6p h ASP 67 CO 0.00 1.57 -0.19 0.61 -1.03 0.00 0.00 179.24 180.20 1r6p n GLY 68 N 1.67 0.30 0.52 7.15 0.00 -1.22 -4.95 105.19 108.66 1r6p n GLY 68 Ca -0.15 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.18 1.53 -0.57 1.61 3.41 -1.26 -4.88 113.62 112.27 1r6p n SER 69 Ca -0.06 -1.85 -0.07 0.00 -0.26 0.00 0.00 58.87 56.63 1r6p n SER 69 Cb 0.54 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.77 3.03 5.00 0.00 -1.26 -5.01 105.19 108.74 1r6p n GLY 70 Ca 0.13 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.27 -0.06 -0.32 2.61 -4.23 -1.26 -2.41 115.64 107.70 1r6p s THR 71 Ca 0.00 0.16 -0.20 0.00 -1.18 0.00 0.00 61.69 60.47 1r6p s THR 71 Cb 0.00 -0.36 -0.01 0.00 1.34 0.00 0.00 72.50 73.47 1r6p s THR 71 CO 0.00 0.07 0.61 -0.69 -0.54 0.00 0.00 174.62 174.06 1r6p s VAL 72 N 1.31 4.95 0.71 2.29 1.01 -0.51 -4.81 120.40 125.36 1r6p s VAL 72 Ca -0.09 0.75 -0.11 0.00 0.00 0.00 0.00 61.98 62.54 1r6p s VAL 72 Cb -0.11 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.30 1r6p s VAL 72 CO -0.08 -0.16 1.09 -1.81 0.00 0.00 0.00 175.10 174.13 1r6p s ASP 73 N 1.68 5.30 0.40 3.32 1.01 -1.26 -0.47 116.67 126.65 1r6p s ASP 73 Ca 0.24 1.01 0.09 0.00 0.71 0.00 0.00 52.55 54.60 1r6p s ASP 73 Cb -0.15 -1.78 0.87 0.00 1.01 0.00 0.00 42.92 42.88 1r6p s ASP 73 CO 0.12 -1.41 2.00 0.15 0.21 0.00 0.00 175.17 176.25 1r6p h PHE 74 N -0.66 0.57 -0.37 4.23 3.57 -1.98 0.82 116.94 123.12 1r6p h PHE 74 Ca -0.45 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1r6p h PHE 74 Cb 1.27 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1r6p h PHE 74 CO 0.46 0.32 0.02 -0.44 -2.23 0.00 0.00 178.31 176.44 1r6p h ASP 75 N 0.58 0.63 0.68 0.41 3.32 -1.94 -1.64 116.42 118.47 1r6p h ASP 75 Ca 0.24 -0.30 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1r6p h ASP 75 Cb 0.22 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1r6p h ASP 75 CO -0.07 0.77 -0.55 -0.33 -1.72 0.00 0.00 179.24 177.35 1r6p h GLU 76 N 0.48 0.00 0.35 3.56 5.08 -1.58 -1.88 114.58 120.58 1r6p h GLU 76 Ca 0.11 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1r6p h GLU 76 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1r6p h GLU 76 CO 0.02 0.55 -0.17 0.35 -1.00 0.00 0.00 179.01 178.76 1r6p h PHE 77 N 0.00 -0.43 -0.04 4.33 3.57 0.93 -1.58 116.94 123.72 1r6p h PHE 77 Ca -0.01 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 1r6p h PHE 77 Cb 1.04 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 1r6p h PHE 77 CO 0.00 -0.14 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.41 1r6p h LEU 78 N -0.69 0.09 -0.30 0.59 4.07 -1.35 -3.04 115.31 114.68 1r6p h LEU 78 Ca -0.05 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1r6p h LEU 78 Cb 0.48 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1r6p h LEU 78 CO 0.08 0.54 0.17 0.58 -1.08 0.00 0.00 178.44 178.73 1r6p h VAL 79 N 0.07 1.13 -1.02 1.22 2.07 -1.26 -2.21 116.25 116.24 1r6p h VAL 79 Ca 0.00 -0.33 0.29 0.00 0.82 0.00 0.00 66.70 67.48 1r6p h VAL 79 Cb 0.84 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1r6p h VAL 79 CO 0.06 0.13 0.72 -0.03 0.02 0.00 0.00 177.57 178.47 1r6p h MET 80 N 0.38 0.09 -0.34 1.57 -1.53 -1.16 0.24 114.93 114.18 1r6p h MET 80 Ca 0.11 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.30 1r6p h MET 80 Cb 0.06 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.07 1r6p h MET 80 CO -0.02 0.06 -0.02 1.98 0.14 0.00 0.00 176.91 179.05 1r6p h MET 81 N 0.09 0.61 0.00 0.39 -1.53 -1.47 -2.44 114.93 110.59 1r6p h MET 81 Ca 0.51 -0.21 -0.20 0.00 -3.44 0.00 0.00 59.70 56.36 1r6p h MET 81 Cb 1.84 -0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 32.81 1r6p h MET 81 CO -0.06 0.75 -0.97 -0.39 0.14 0.00 0.00 176.91 176.38 1r6p h VAL 82 N 0.41 1.69 -0.69 -5.77 -1.51 -0.87 -3.25 116.25 106.25 1r6p h VAL 82 Ca 0.09 -3.29 -0.03 0.00 -1.23 0.00 0.00 66.70 62.25 1r6p h VAL 82 Cb 0.49 2.78 -0.03 0.00 -2.13 0.00 0.00 31.29 32.40 1r6p h VAL 82 CO 0.02 0.94 0.32 0.03 -1.23 0.00 0.00 177.57 177.65 1r6p h ARG 83 N 0.00 1.00 0.00 5.19 3.08 -0.61 0.32 114.38 123.36 1r6p h ARG 83 Ca -0.01 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 1r6p h ARG 83 Cb 1.71 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.57 1r6p h ARG 83 CO 0.13 0.79 -0.26 0.00 -1.07 0.00 0.00 179.97 179.56 1r6p h MET 85 N 0.00 0.00 -3.62 0.00 2.86 -1.44 -3.45 114.93 109.29 1r6p h MET 85 Ca -0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.09 1r6p h MET 85 Cb 0.55 0.00 -0.40 0.00 0.06 0.00 0.00 31.60 31.81 1r6p h MET 85 CO 0.03 1.00 -0.77 0.21 1.06 0.00 0.00 176.91 178.44 1r6p s LYS 86 N -2.27 0.76 -0.35 1.72 2.36 0.11 -4.99 119.74 117.08 1r6p s LYS 86 Ca -0.23 -0.63 0.00 0.00 -2.55 0.00 0.00 55.97 52.56 1r6p s LYS 86 Cb 0.00 -2.11 0.28 0.00 -1.05 0.00 0.00 37.83 34.96 1r6p s LYS 86 CO 0.65 -0.72 1.23 -3.47 1.55 0.00 0.00 175.35 174.59 1r6p n ASP 87 N 4.97 -1.49 0.20 1.43 -0.08 -1.19 -4.31 116.55 116.07 1r6p n ASP 87 Ca -0.08 -2.03 0.00 0.00 -1.51 0.00 0.00 54.79 51.17 1r6p n ASP 87 Cb 0.45 0.97 0.00 0.00 2.34 0.00 0.00 41.12 44.89 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1r6p n ASP 88 N 1.26 -3.58 0.00 1.67 2.03 -1.26 -5.02 116.55 111.65 1r6p n ASP 88 Ca 0.01 0.78 0.00 0.00 0.52 0.00 0.00 54.79 56.10 1r6p n ASP 88 Cb 0.71 3.39 0.00 0.00 -0.72 0.00 0.00 41.12 44.50 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04