#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 3.22 -0.21 3.17 -0.87 -1.26 -4.95 114.94 114.04 1r6p s ASN 2 Ca 0.00 -2.19 0.14 0.00 -1.57 0.00 0.00 52.86 49.24 1r6p s ASN 2 Cb 0.00 -0.56 -0.23 0.00 -0.02 0.00 0.00 41.25 40.44 1r6p s ASN 2 CO 0.00 -0.31 0.02 0.47 -2.57 0.00 0.00 177.10 174.70 1r6p n ASP 3 N 4.06 0.47 -0.08 -1.22 9.92 -1.26 -4.11 116.55 124.32 1r6p n ASP 3 Ca 0.09 -0.02 0.12 0.00 -0.53 0.00 0.00 54.79 54.45 1r6p n ASP 3 Cb 0.37 0.66 0.51 0.00 -0.64 0.00 0.00 41.12 42.01 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 0.88 0.03 0.53 -2.65 -1.93 0.25 117.51 114.62 1r6p h ILE 4 Ca -0.55 -0.14 -0.25 0.00 1.03 0.00 0.00 64.86 64.95 1r6p h ILE 4 Cb 2.17 0.45 0.02 0.00 -2.05 0.00 0.00 36.82 37.41 1r6p h ILE 4 CO 0.01 0.07 -1.00 1.88 0.03 0.00 0.00 178.15 179.14 1r6p h TYR 5 N 0.40 0.94 0.00 0.16 0.05 -1.93 -3.21 116.97 113.38 1r6p h TYR 5 Ca 0.28 -0.54 -0.01 0.00 0.05 0.00 0.00 58.73 58.51 1r6p h TYR 5 Cb 0.58 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 1r6p h TYR 5 CO -0.00 1.37 -0.07 -0.22 -1.05 0.00 0.00 178.16 178.19 1r6p h LYS 6 N 0.25 0.00 -0.08 4.88 1.63 -1.44 -2.96 116.57 118.84 1r6p h LYS 6 Ca -0.13 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.58 1r6p h LYS 6 Cb 1.67 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.29 1r6p h LYS 6 CO 0.19 0.07 -0.34 0.00 -3.45 0.00 0.00 179.45 175.92 1r6p h ALA 7 N 1.93 1.29 0.16 5.00 0.00 -0.56 -2.07 119.26 125.01 1r6p h ALA 7 Ca -0.00 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.34 1r6p h ALA 7 Cb 0.61 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.34 1r6p h ALA 7 CO 0.01 0.50 -1.00 0.00 0.00 0.00 0.00 179.25 178.76 1r6p h ALA 8 N 1.52 -0.07 0.00 0.00 0.00 -1.61 -3.20 119.26 115.90 1r6p h ALA 8 Ca 0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 1r6p h ALA 8 Cb 0.67 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1r6p h ALA 8 CO 0.05 0.49 -0.13 -0.24 0.00 0.00 0.00 179.25 179.42 1r6p h VAL 9 N -0.28 0.64 0.00 0.00 3.04 -1.52 0.17 116.25 118.30 1r6p h VAL 9 Ca -0.18 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1r6p h VAL 9 Cb 1.74 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.36 1r6p h VAL 9 CO 0.16 0.12 -0.14 1.05 -1.01 0.00 0.00 177.57 177.75 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.45 -3.33 114.58 118.08 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 0.33 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.38 1r6p h GLU 10 CO 0.02 0.00 -0.75 0.00 0.07 0.00 0.00 179.01 178.35 1r6p n GLN 11 N -2.62 0.68 -1.84 1.06 10.64 -0.67 -5.09 117.38 119.54 1r6p n GLN 11 Ca 0.04 -2.47 -0.29 0.00 -1.83 0.00 0.00 57.00 52.45 1r6p n GLN 11 Cb 0.48 -0.73 0.13 0.00 -0.86 0.00 0.00 30.24 29.26 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 -1.39 2.44 0.37 2.61 0.05 0.49 -5.00 118.68 118.26 1r6p s LEU 12 Ca 0.33 0.66 0.07 0.00 0.05 0.00 0.00 54.13 55.25 1r6p s LEU 12 Cb 0.35 -2.98 -0.00 0.00 -2.05 0.00 0.00 46.19 41.51 1r6p s LEU 12 CO -0.11 -2.29 0.51 0.42 -0.55 0.00 0.00 176.35 174.33 1r6p s THR 13 N -3.61 3.57 0.29 5.48 -4.23 -1.26 -5.01 115.64 110.87 1r6p s THR 13 Ca 0.66 -1.01 0.06 0.00 -1.18 0.00 0.00 61.69 60.21 1r6p s THR 13 Cb -0.09 -3.22 0.05 0.00 1.34 0.00 0.00 72.50 70.58 1r6p s THR 13 CO 0.51 -0.09 1.71 0.44 -0.54 0.00 0.00 174.62 176.66 1r6p h ASP 14 N 0.79 0.31 -0.04 3.99 3.32 -2.00 -2.50 116.42 120.30 1r6p h ASP 14 Ca -0.43 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.46 1r6p h ASP 14 Cb 1.27 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1r6p h ASP 14 CO 0.49 0.65 -0.08 -0.33 -1.72 0.00 0.00 179.24 178.26 1r6p h GLU 15 N 0.26 0.27 -0.17 3.56 5.08 -1.98 -0.08 114.58 121.53 1r6p h GLU 15 Ca 0.03 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1r6p h GLU 15 Cb 0.76 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1r6p h GLU 15 CO 0.06 0.37 -0.27 1.96 -1.00 0.00 0.00 179.01 180.13 1r6p h GLN 16 N 0.26 0.48 -0.46 2.33 4.20 -1.85 0.18 115.11 120.25 1r6p h GLN 16 Ca 0.06 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 1r6p h GLN 16 Cb 0.31 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1r6p h GLN 16 CO 0.01 0.89 0.23 0.87 -0.67 0.00 0.00 178.83 180.16 1r6p h LYS 17 N 0.13 0.66 0.00 1.46 1.57 -1.17 -2.47 116.57 116.75 1r6p h LYS 17 Ca 0.02 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1r6p h LYS 17 Cb 0.85 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1r6p h LYS 17 CO 0.06 0.56 -0.55 -0.91 -0.57 0.00 0.00 179.45 178.04 1r6p h ASN 18 N 0.61 0.00 -0.49 0.86 2.35 -1.01 0.31 115.58 118.20 1r6p h ASN 18 Ca 0.16 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.97 1r6p h ASN 18 Cb 0.10 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1r6p h ASN 18 CO -0.02 0.55 0.21 -0.08 -1.65 0.00 0.00 177.43 176.43 1r6p h GLU 19 N 0.00 0.40 0.07 0.81 4.81 -0.17 0.98 114.58 121.48 1r6p h GLU 19 Ca -0.01 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 58.96 1r6p h GLU 19 Cb 0.98 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1r6p h GLU 19 CO 0.07 0.26 -1.27 0.74 -0.73 0.00 0.00 179.01 178.08 1r6p h PHE 20 N 0.41 0.28 -0.87 0.92 0.04 -1.48 -3.35 116.94 112.89 1r6p h PHE 20 Ca 0.23 -0.20 0.14 0.00 2.80 0.00 0.00 57.97 60.94 1r6p h PHE 20 Cb 0.20 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 1r6p h PHE 20 CO -0.13 1.50 0.56 -0.22 -0.60 0.00 0.00 178.31 179.42 1r6p h LYS 21 N -0.54 0.63 -0.29 1.51 1.63 -0.91 0.58 116.57 119.19 1r6p h LYS 21 Ca -0.30 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.48 1r6p h LYS 21 Cb 1.58 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 33.04 1r6p h LYS 21 CO -0.02 0.42 0.15 0.00 -3.45 0.00 0.00 179.45 176.55 1r6p h ALA 22 N 1.60 0.35 0.00 5.00 0.00 -0.95 0.17 119.26 125.43 1r6p h ALA 22 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.21 1r6p h ALA 22 Cb 0.73 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1r6p h ALA 22 CO -0.19 -0.23 -0.66 0.00 0.00 0.00 0.00 179.25 178.17 1r6p h ALA 23 N 1.14 0.84 -0.47 0.00 0.00 -1.37 -3.13 119.26 116.27 1r6p h ALA 23 Ca 0.12 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 1r6p h ALA 23 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1r6p h ALA 23 CO -0.07 0.82 0.07 0.35 0.00 0.00 0.00 179.25 180.42 1r6p h PHE 24 N 0.00 0.83 0.00 0.00 3.04 0.95 -1.40 116.94 120.36 1r6p h PHE 24 Ca -0.01 -0.12 -0.09 0.00 3.98 0.00 0.00 57.97 61.74 1r6p h PHE 24 Cb 1.21 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 39.48 1r6p h PHE 24 CO 0.00 0.78 -0.42 0.38 -2.02 0.00 0.00 178.31 177.02 1r6p h ASP 25 N 0.65 0.00 0.49 0.41 3.04 -0.69 -1.13 116.42 119.18 1r6p h ASP 25 Ca 0.14 0.00 -0.30 0.00 -3.24 0.00 0.00 57.03 53.63 1r6p h ASP 25 Cb 0.40 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.70 1r6p h ASP 25 CO 0.01 0.42 -1.37 0.16 -2.04 0.00 0.00 179.24 176.43 1r6p h ILE 26 N 0.00 1.37 -0.05 4.15 3.07 -1.48 -1.89 117.51 122.69 1r6p h ILE 26 Ca -0.00 -2.91 -0.23 0.00 1.55 0.00 0.00 64.86 63.27 1r6p h ILE 26 Cb 0.89 2.94 0.01 0.00 -0.27 0.00 0.00 36.82 40.40 1r6p h ILE 26 CO 0.06 0.86 -0.90 -0.26 -1.05 0.00 0.00 178.15 176.85 1r6p h PHE 27 N 0.10 0.86 -0.45 0.16 0.04 -1.22 -3.14 116.94 113.28 1r6p h PHE 27 Ca -0.19 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.15 1r6p h PHE 27 Cb 2.04 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 40.08 1r6p h PHE 27 CO 0.08 1.25 0.00 0.44 -0.60 0.00 0.00 178.31 179.48 1r6p n ILE 28 N -3.84 0.59 -0.33 -0.55 -6.64 -0.43 -4.41 119.36 103.75 1r6p n ILE 28 Ca -0.08 -0.63 0.16 0.00 -1.77 0.00 0.00 62.75 60.43 1r6p n ILE 28 Cb 0.81 0.39 0.36 0.00 -1.44 0.00 0.00 39.64 39.75 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 2.93 0.49 -0.69 6.28 4.15 -1.29 0.30 115.11 127.28 1r6p h GLN 29 Ca 0.00 -0.03 -0.36 0.00 0.77 0.00 0.00 58.65 59.03 1r6p h GLN 29 Cb 0.66 -0.11 -0.21 0.00 0.21 0.00 0.00 27.48 28.03 1r6p h GLN 29 CO 0.00 0.32 0.30 -3.47 -1.93 0.00 0.00 178.83 174.06 1r6p n ASP 30 N -4.95 3.13 -4.96 -0.69 2.03 -1.26 -4.99 116.55 104.86 1r6p n ASP 30 Ca 0.25 -3.70 -0.24 0.00 0.52 0.00 0.00 54.79 51.62 1r6p n ASP 30 Cb 0.72 -0.74 -0.03 0.00 -0.72 0.00 0.00 41.12 40.35 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 -3.28 3.94 -0.26 -1.67 0.00 0.11 -5.04 121.76 115.56 1r6p s ALA 31 Ca 0.51 -1.11 0.15 0.00 0.00 0.00 0.00 51.96 51.51 1r6p s ALA 31 Cb 0.45 -1.77 0.48 0.00 0.00 0.00 0.00 23.12 22.27 1r6p s ALA 31 CO 0.05 0.39 1.16 -0.85 0.00 0.00 0.00 175.76 176.51 1r6p n GLU 32 N -0.95 2.59 0.00 0.00 0.28 -1.26 -4.81 120.64 116.48 1r6p n GLU 32 Ca -0.08 -3.77 0.00 0.00 -0.16 0.00 0.00 57.16 53.15 1r6p n GLU 32 Cb 0.55 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 31.54 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1r6p n ASP 33 N -0.64 0.00 0.00 -1.84 8.00 -1.26 -5.08 116.55 115.74 1r6p n ASP 33 Ca 0.26 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1r6p n ASP 33 Cb 0.89 0.15 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 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 0.54 0.98 3.44 0.44 0.00 -1.26 -5.15 105.19 104.19 1r6p n GLY 34 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.88 2.22 -0.26 0.00 -5.25 0.43 -4.76 121.20 112.69 1r6p s ILE 36 Ca -0.09 -0.50 -0.18 0.00 -0.99 0.00 0.00 60.65 58.89 1r6p s ILE 36 Cb -0.02 -2.72 -0.03 0.00 2.95 0.00 0.00 42.46 42.65 1r6p s ILE 36 CO 0.06 0.00 0.52 -0.55 -1.79 0.00 0.00 174.94 173.19 1r6p s SER 37 N -4.68 6.44 0.43 4.36 0.15 -1.26 -0.91 113.70 118.23 1r6p s SER 37 Ca 0.65 0.52 0.15 0.00 0.70 0.00 0.00 55.95 57.97 1r6p s SER 37 Cb -0.07 -2.28 1.05 0.00 -1.71 0.00 0.00 66.02 63.01 1r6p s SER 37 CO 0.44 -0.30 1.94 0.71 1.20 0.00 0.00 173.24 177.24 1r6p h THR 38 N 5.41 0.83 -0.19 6.45 1.35 -1.68 0.21 112.91 125.29 1r6p h THR 38 Ca -0.29 -0.14 -0.10 0.00 -0.55 0.00 0.00 66.41 65.34 1r6p h THR 38 Cb 1.14 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1r6p h THR 38 CO 0.72 0.07 -0.31 0.11 -0.25 0.00 0.00 175.52 175.86 1r6p h LYS 39 N 0.40 0.37 -0.02 4.72 1.57 -1.92 -2.42 116.57 119.27 1r6p h LYS 39 Ca 0.33 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1r6p h LYS 39 Cb 0.75 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1r6p h LYS 39 CO -0.10 0.65 0.00 -0.85 -0.57 0.00 0.00 179.45 178.58 1r6p n GLU 40 N -4.09 1.07 0.25 3.15 0.28 0.70 -4.02 120.64 117.97 1r6p n GLU 40 Ca -0.01 -0.11 0.17 0.00 -0.16 0.00 0.00 57.16 57.06 1r6p n GLU 40 Cb 0.43 -1.21 0.82 0.00 1.43 0.00 0.00 31.44 32.91 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1r6p h LEU 41 N 0.20 0.00 -1.16 -1.84 -0.00 -1.18 -0.10 115.31 111.23 1r6p h LEU 41 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 1r6p h LEU 41 Cb 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.65 1r6p h LEU 41 CO 0.00 0.00 0.58 1.23 -0.00 0.00 0.00 178.44 180.25 1r6p h GLY 42 N 0.00 1.31 2.00 0.83 0.00 -1.84 0.57 103.07 105.94 1r6p h GLY 42 Ca 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 1r6p h GLY 42 CO -0.00 0.28 -0.07 0.50 0.00 0.00 0.00 176.54 177.25 1r6p h LYS 43 N 1.00 0.00 0.05 4.80 1.57 -1.35 -2.81 116.57 119.83 1r6p h LYS 43 Ca 0.39 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.95 1r6p h LYS 43 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1r6p h LYS 43 CO -0.15 0.07 -1.16 0.28 -0.57 0.00 0.00 179.45 177.92 1r6p h VAL 44 N 0.00 1.08 -0.74 0.50 2.07 -0.83 -3.28 116.25 115.05 1r6p h VAL 44 Ca -0.00 -2.30 0.12 0.00 0.82 0.00 0.00 66.70 65.34 1r6p h VAL 44 Cb 0.64 2.61 -0.08 0.00 -1.52 0.00 0.00 31.29 32.94 1r6p h VAL 44 CO 0.01 0.54 0.33 0.24 0.02 0.00 0.00 177.57 178.71 1r6p h MET 45 N -0.68 0.51 -0.24 1.57 2.86 0.00 0.39 114.93 119.34 1r6p h MET 45 Ca -0.28 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.29 1r6p h MET 45 Cb 1.47 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 33.00 1r6p h MET 45 CO -0.06 0.34 -0.01 0.07 1.06 0.00 0.00 176.91 178.31 1r6p h ARG 46 N 0.52 0.36 0.03 1.72 0.11 -1.21 0.68 114.38 116.58 1r6p h ARG 46 Ca 0.39 -0.06 -0.21 0.00 0.10 0.00 0.00 59.98 60.20 1r6p h ARG 46 Cb 0.52 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 1r6p h ARG 46 CO -0.34 0.39 -0.96 0.52 0.10 0.00 0.00 179.97 179.67 1r6p h MET 47 N 0.35 0.15 0.00 0.08 2.86 -0.83 -3.23 114.93 114.30 1r6p h MET 47 Ca 0.08 -0.20 -0.17 0.00 -2.06 0.00 0.00 59.70 57.36 1r6p h MET 47 Cb 0.25 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1r6p h MET 47 CO 0.01 1.00 -0.80 -0.07 1.06 0.00 0.00 176.91 178.10 1r6p h LEU 48 N 0.07 0.00 0.00 1.22 4.07 0.25 -3.47 115.31 117.44 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 1.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.38 1r6p h LEU 48 CO 0.14 0.80 0.00 0.61 -1.08 0.00 0.00 178.44 178.92 1r6p n GLY 49 N 0.79 1.91 3.23 0.83 0.00 0.25 -5.08 105.19 107.12 1r6p n GLY 49 Ca -0.01 0.00 -0.13 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 -0.13 0.99 -0.42 1.61 -1.52 0.21 -5.00 119.66 115.41 1r6p s GLN 50 Ca 0.00 -1.40 0.08 0.00 -1.95 0.00 0.00 55.36 52.10 1r6p s GLN 50 Cb 0.00 -0.53 0.30 0.00 -0.22 0.00 0.00 33.01 32.56 1r6p s GLN 50 CO 0.00 0.06 0.81 0.27 -0.25 0.00 0.00 175.29 176.18 1r6p n ASN 51 N -0.09 -0.85 -2.23 5.90 6.94 -1.26 -2.46 115.26 121.22 1r6p n ASN 51 Ca -0.11 -3.18 0.00 0.00 -0.02 0.00 0.00 54.58 51.27 1r6p n ASN 51 Cb 0.60 0.50 0.00 0.00 -2.36 0.00 0.00 39.78 38.53 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1r6p n PRO 52 N 0.81 1.48 -3.31 -0.53 -0.04 -1.26 -5.12 135.00 127.04 1r6p n PRO 52 Ca 0.16 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.42 1r6p n PRO 52 Cb 0.64 0.00 0.00 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 0.49 2.58 0.22 0.52 -4.23 -1.26 -4.96 115.64 109.00 1r6p s THR 53 Ca 0.00 -1.18 0.15 0.00 -1.18 0.00 0.00 61.69 59.49 1r6p s THR 53 Cb 0.00 -2.76 0.07 0.00 1.34 0.00 0.00 72.50 71.15 1r6p s THR 53 CO 0.00 0.00 1.69 1.55 -0.54 0.00 0.00 174.62 177.32 1r6p h PRO 54 N 0.71 0.00 0.11 3.99 0.13 -1.98 -0.82 132.00 134.14 1r6p h PRO 54 Ca -0.38 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.47 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 0.50 0.47 -1.27 0.93 -0.23 0.00 0.00 178.00 178.40 1r6p h GLU 55 N 0.00 0.23 -0.19 0.86 5.08 -1.99 -2.69 114.58 115.88 1r6p h GLU 55 Ca -0.00 -0.39 -0.17 0.00 -1.00 0.00 0.00 59.36 57.80 1r6p h GLU 55 Cb 0.96 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1r6p h GLU 55 CO 0.06 1.16 -0.54 1.49 -1.00 0.00 0.00 179.01 180.19 1r6p h GLU 56 N 0.06 0.69 -0.01 2.33 4.81 -1.92 -3.12 114.58 117.42 1r6p h GLU 56 Ca -0.14 -0.50 -0.13 0.00 -0.13 0.00 0.00 59.36 58.47 1r6p h GLU 56 Cb 1.96 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.40 1r6p h GLU 56 CO 0.19 1.12 -0.60 1.37 -0.73 0.00 0.00 179.01 180.35 1r6p h LEU 57 N 0.39 0.04 -0.60 1.64 8.10 -1.26 -3.19 115.31 120.43 1r6p h LEU 57 Ca -0.01 -0.03 -0.04 0.00 0.11 0.00 0.00 57.88 57.91 1r6p h LEU 57 Cb 1.16 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 41.34 1r6p h LEU 57 CO 0.12 0.63 0.23 1.56 -4.11 0.00 0.00 178.44 176.87 1r6p h GLN 58 N 0.03 0.91 0.00 0.17 1.08 -1.48 -1.76 115.11 114.06 1r6p h GLN 58 Ca -0.01 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 56.98 1r6p h GLN 58 Cb 1.07 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1r6p h GLN 58 CO 0.08 0.78 -0.20 1.05 -0.95 0.00 0.00 178.83 179.59 1r6p h GLU 59 N 0.84 0.00 0.00 1.46 4.11 -1.53 0.25 114.58 119.71 1r6p h GLU 59 Ca 0.20 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.46 1r6p h GLU 59 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1r6p h GLU 59 CO -0.01 0.20 -0.79 0.52 0.07 0.00 0.00 179.01 178.99 1r6p h MET 60 N 0.00 0.00 0.13 1.06 0.00 -1.46 -2.61 114.93 112.06 1r6p h MET 60 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 59.70 59.51 1r6p h MET 60 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 31.60 32.00 1r6p h MET 60 CO 0.03 0.79 -0.80 0.82 0.00 0.00 0.00 176.91 177.75 1r6p h ILE 61 N 0.00 1.51 -0.71 -1.22 2.04 -0.50 -3.14 117.51 115.50 1r6p h ILE 61 Ca -0.01 -2.51 0.05 0.00 1.00 0.00 0.00 64.86 63.39 1r6p h ILE 61 Cb 1.41 3.17 -0.05 0.00 -0.74 0.00 0.00 36.82 40.62 1r6p h ILE 61 CO 0.10 0.71 0.43 -0.78 0.00 0.00 0.00 178.15 178.61 1r6p h ASP 62 N -0.36 0.67 -0.59 1.72 3.58 -0.59 0.52 116.42 121.38 1r6p h ASP 62 Ca -0.14 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 1r6p h ASP 62 Cb 1.62 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.52 1r6p h ASP 62 CO 0.15 0.45 0.14 1.05 -2.88 0.00 0.00 179.24 178.15 1r6p h GLU 63 N 0.81 0.98 0.08 0.28 4.11 -1.57 -3.01 114.58 116.25 1r6p h GLU 63 Ca 0.30 -0.22 -0.25 0.00 0.07 0.00 0.00 59.36 59.26 1r6p h GLU 63 Cb 0.11 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1r6p h GLU 63 CO -0.15 0.87 -1.17 -0.24 0.07 0.00 0.00 179.01 178.40 1r6p h VAL 64 N 0.93 1.56 -2.93 -1.06 3.04 -1.37 -3.44 116.25 112.98 1r6p h VAL 64 Ca 0.20 -3.18 -0.57 0.00 -1.01 0.00 0.00 66.70 62.14 1r6p h VAL 64 Cb 0.34 2.90 -0.04 0.00 -2.01 0.00 0.00 31.29 32.48 1r6p h VAL 64 CO 0.00 0.92 1.06 -0.62 -1.01 0.00 0.00 177.57 177.91 1r6p s ASP 65 N -6.97 6.52 0.08 3.17 -1.08 0.18 -4.90 116.67 113.66 1r6p s ASP 65 Ca -0.02 1.44 -0.22 0.00 -0.52 0.00 0.00 52.55 53.23 1r6p s ASP 65 Cb 0.08 -2.54 -0.12 0.00 -1.46 0.00 0.00 42.92 38.89 1r6p s ASP 65 CO 0.86 -1.17 1.63 -0.33 0.52 0.00 0.00 175.17 176.67 1r6p h GLU 66 N 10.06 0.17 0.00 4.34 5.08 -1.85 -3.30 114.58 129.08 1r6p h GLU 66 Ca -0.30 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 57.72 1r6p h GLU 66 Cb 1.13 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.29 1r6p h GLU 66 CO 1.01 0.26 -2.05 -0.40 -1.00 0.00 0.00 179.01 176.83 1r6p n ASP 67 N -4.92 0.38 -1.50 1.42 5.75 -1.26 -5.02 116.55 111.40 1r6p n ASP 67 Ca -0.05 0.18 -0.05 0.00 -0.01 0.00 0.00 54.79 54.86 1r6p n ASP 67 Cb 0.11 0.60 0.02 0.00 -1.03 0.00 0.00 41.12 40.81 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 1.63 0.34 0.00 6.12 0.00 -1.24 -4.95 105.19 107.09 1r6p n GLY 68 Ca -0.24 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.01 0.00 0.00 1.61 3.41 -1.26 -4.87 113.62 111.50 1r6p n SER 69 Ca -0.05 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1r6p n SER 69 Cb 0.53 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.88 0.59 2.97 5.00 0.00 -1.26 -5.05 105.19 108.32 1r6p n GLY 70 Ca 0.11 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.02 -0.27 2.61 -4.23 -1.26 -1.83 115.64 108.64 1r6p s THR 71 Ca 0.00 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 1r6p s THR 71 Cb 0.00 -0.20 -0.05 0.00 1.34 0.00 0.00 72.50 73.59 1r6p s THR 71 CO 0.00 0.03 0.20 -0.69 -0.54 0.00 0.00 174.62 173.62 1r6p s VAL 72 N 0.49 5.31 0.65 2.29 1.01 -0.09 -4.82 120.40 125.23 1r6p s VAL 72 Ca -0.03 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1r6p s VAL 72 Cb -0.05 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.83 1r6p s VAL 72 CO -0.02 0.26 0.95 -1.81 0.00 0.00 0.00 175.10 174.49 1r6p s ASP 73 N 1.59 5.08 0.41 3.32 1.11 -1.26 -0.43 116.67 126.49 1r6p s ASP 73 Ca 0.08 0.46 0.09 0.00 0.18 0.00 0.00 52.55 53.37 1r6p s ASP 73 Cb -0.15 -1.23 0.91 0.00 1.07 0.00 0.00 42.92 43.51 1r6p s ASP 73 CO 0.10 -1.40 2.02 0.15 1.18 0.00 0.00 175.17 177.22 1r6p h PHE 74 N -0.40 0.51 -0.32 4.23 3.57 -1.99 0.66 116.94 123.19 1r6p h PHE 74 Ca -0.44 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1r6p h PHE 74 Cb 1.30 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1r6p h PHE 74 CO 0.37 0.29 -0.02 0.22 -2.23 0.00 0.00 178.31 176.94 1r6p h ASP 75 N 0.52 0.57 0.76 0.41 3.58 -1.95 -1.80 116.42 118.50 1r6p h ASP 75 Ca 0.21 -0.32 -0.11 0.00 0.42 0.00 0.00 57.03 57.23 1r6p h ASP 75 Cb 0.19 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 1r6p h ASP 75 CO -0.06 0.76 -0.50 -0.33 -2.88 0.00 0.00 179.24 176.23 1r6p h GLU 76 N 0.37 0.00 0.40 0.28 5.08 -1.67 -2.32 114.58 116.72 1r6p h GLU 76 Ca 0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1r6p h GLU 76 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1r6p h GLU 76 CO 0.02 0.50 -0.19 0.35 -1.00 0.00 0.00 179.01 178.69 1r6p h PHE 77 N 0.00 -0.50 -0.29 4.33 3.57 0.54 -0.82 116.94 123.76 1r6p h PHE 77 Ca -0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 1r6p h PHE 77 Cb 1.01 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1r6p h PHE 77 CO 0.00 -0.19 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.73 1r6p h LEU 78 N -0.80 0.47 -0.04 0.59 4.07 -1.38 -2.90 115.31 115.31 1r6p h LEU 78 Ca -0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 1r6p h LEU 78 Cb 0.53 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 1r6p h LEU 78 CO 0.09 0.61 0.02 0.58 -1.08 0.00 0.00 178.44 178.66 1r6p h VAL 79 N 0.45 1.11 -1.16 1.22 2.07 -1.36 -2.46 116.25 116.13 1r6p h VAL 79 Ca 0.09 -0.34 0.34 0.00 0.82 0.00 0.00 66.70 67.61 1r6p h VAL 79 Cb 0.45 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1r6p h VAL 79 CO 0.02 0.09 0.89 -0.03 0.02 0.00 0.00 177.57 178.57 1r6p h MET 80 N -0.06 0.00 0.55 1.57 -1.53 -0.93 -0.12 114.93 114.41 1r6p h MET 80 Ca 0.01 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.25 1r6p h MET 80 Cb 0.13 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.19 1r6p h MET 80 CO -0.00 0.00 -0.26 1.98 0.14 0.00 0.00 176.91 178.77 1r6p h MET 81 N 0.00 -0.71 0.00 0.39 -1.53 -1.45 -1.01 114.93 110.63 1r6p h MET 81 Ca 0.55 0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.80 1r6p h MET 81 Cb 2.33 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 33.53 1r6p h MET 81 CO -0.01 -0.43 -0.29 -0.39 0.14 0.00 0.00 176.91 175.93 1r6p h VAL 82 N -0.84 0.96 -0.54 -5.77 -1.51 -1.17 0.15 116.25 107.53 1r6p h VAL 82 Ca -0.08 -1.11 -0.08 0.00 -1.23 0.00 0.00 66.70 64.21 1r6p h VAL 82 Cb 0.61 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.39 1r6p h VAL 82 CO 0.12 0.29 0.01 0.03 -1.23 0.00 0.00 177.57 176.79 1r6p h ARG 83 N 0.00 0.90 0.13 5.19 2.47 -0.90 0.50 114.38 122.69 1r6p h ARG 83 Ca -0.00 -0.25 -0.26 0.00 -1.26 0.00 0.00 59.98 58.20 1r6p h ARG 83 Cb 0.62 -0.10 0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1r6p h ARG 83 CO 0.04 0.89 -1.28 0.00 0.56 0.00 0.00 179.97 180.18 1r6p h MET 85 N -0.28 0.18 -2.84 0.00 1.85 -0.70 -3.49 114.93 109.64 1r6p h MET 85 Ca -0.26 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.77 1r6p h MET 85 Cb 1.77 -0.01 0.00 0.00 0.43 0.00 0.00 31.60 33.79 1r6p h MET 85 CO 0.10 0.45 -0.38 1.17 -0.40 0.00 0.00 176.91 177.85 1r6p n LYS 86 N -4.15 -2.08 -1.44 0.39 3.00 0.18 -4.88 118.16 109.17 1r6p n LYS 86 Ca -0.01 1.80 -0.32 0.00 -0.00 0.00 0.00 58.31 59.78 1r6p n LYS 86 Cb 0.37 -2.01 0.04 0.00 0.00 0.00 0.00 35.03 33.43 1r6p n LYS 86 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1r6p n ASP 87 N 0.72 7.25 -2.68 3.14 2.03 -1.24 -4.38 116.55 121.40 1r6p n ASP 87 Ca 0.00 -3.58 -0.08 0.00 0.52 0.00 0.00 54.79 51.65 1r6p n ASP 87 Cb 0.00 -1.06 0.06 0.00 -0.72 0.00 0.00 41.12 39.40 1r6p n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1r6p n ASP 88 N -0.30 0.28 -0.31 1.67 8.00 -1.26 -4.95 116.55 119.67 1r6p n ASP 88 Ca 0.52 -2.59 0.15 0.00 0.71 0.00 0.00 54.79 53.58 1r6p n ASP 88 Cb 0.51 0.01 0.67 0.00 -0.02 0.00 0.00 41.12 42.29 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61