#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 -7.07 0.08 7.83 4.13 -1.26 -4.93 115.26 114.04 1r6p n ASN 2 Ca 0.00 -0.33 0.12 0.00 1.68 0.00 0.00 54.58 56.05 1r6p n ASN 2 Cb 0.00 -4.55 0.09 0.00 -1.54 0.00 0.00 39.78 33.78 1r6p n ASN 2 CO 0.00 0.00 0.00 -2.24 0.28 0.00 0.00 177.26 175.30 1r6p h ASP 3 N 0.10 0.00 -0.58 6.41 2.03 -2.06 -3.36 116.42 118.97 1r6p h ASP 3 Ca -0.19 -0.14 0.10 0.00 -0.73 0.00 0.00 57.03 56.07 1r6p h ASP 3 Cb 1.11 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.58 1r6p h ASP 3 CO 0.33 0.07 0.39 0.16 -1.03 0.00 0.00 179.24 179.16 1r6p h ILE 4 N 0.00 0.88 -0.48 4.15 -2.65 -1.99 -0.49 117.51 116.93 1r6p h ILE 4 Ca 0.00 -0.12 -0.14 0.00 1.03 0.00 0.00 64.86 65.63 1r6p h ILE 4 Cb 0.85 0.49 -0.01 0.00 -2.05 0.00 0.00 36.82 36.10 1r6p h ILE 4 CO 0.00 0.06 -0.23 1.88 0.03 0.00 0.00 178.15 179.89 1r6p h TYR 5 N 0.36 1.15 0.00 0.16 0.05 -1.93 -2.74 116.97 114.01 1r6p h TYR 5 Ca 0.27 -0.29 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1r6p h TYR 5 Cb 0.59 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 1r6p h TYR 5 CO -0.00 1.12 -0.48 0.87 -1.05 0.00 0.00 178.16 178.61 1r6p h LYS 6 N 0.85 0.00 0.00 4.88 6.56 -1.40 -2.37 116.57 125.09 1r6p h LYS 6 Ca 0.11 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.60 1r6p h LYS 6 Cb 0.82 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.46 1r6p h LYS 6 CO 0.07 0.48 -0.44 0.00 -2.06 0.00 0.00 179.45 177.51 1r6p h ALA 7 N 1.52 1.19 0.16 3.86 0.00 -0.92 -2.42 119.26 122.65 1r6p h ALA 7 Ca -0.00 -0.40 -0.27 0.00 0.00 0.00 0.00 54.91 54.24 1r6p h ALA 7 Cb 0.90 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1r6p h ALA 7 CO 0.06 0.55 -1.27 0.00 0.00 0.00 0.00 179.25 178.58 1r6p h ALA 8 N 1.56 0.01 0.00 0.00 0.00 -1.26 -3.25 119.26 116.32 1r6p h ALA 8 Ca -0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 54.91 53.97 1r6p h ALA 8 Cb 0.82 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1r6p h ALA 8 CO 0.06 0.67 -0.11 -0.24 0.00 0.00 0.00 179.25 179.63 1r6p h VAL 9 N -0.18 0.51 0.00 0.00 3.04 -1.43 0.39 116.25 118.58 1r6p h VAL 9 Ca -0.25 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 1r6p h VAL 9 Cb 1.85 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 32.48 1r6p h VAL 9 CO 0.15 0.11 -0.13 1.05 -1.01 0.00 0.00 177.57 177.74 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.53 -3.33 114.58 118.00 1r6p h GLU 10 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1r6p h GLU 10 Cb 0.33 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.36 1r6p h GLU 10 CO 0.01 0.00 -0.79 0.00 0.07 0.00 0.00 179.01 178.31 1r6p n GLN 11 N -2.89 0.55 -1.36 1.06 10.64 -0.71 -5.10 117.38 119.56 1r6p n GLN 11 Ca 0.04 -2.36 -0.30 0.00 -1.83 0.00 0.00 57.00 52.55 1r6p n GLN 11 Cb 0.51 -0.61 0.20 0.00 -0.86 0.00 0.00 30.24 29.49 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 -1.13 1.48 0.48 2.61 0.05 0.13 -5.00 118.68 117.29 1r6p s LEU 12 Ca 0.33 0.66 0.00 0.00 0.05 0.00 0.00 54.13 55.17 1r6p s LEU 12 Cb 0.35 -2.62 0.00 0.00 -2.05 0.00 0.00 46.19 41.88 1r6p s LEU 12 CO -0.12 -3.43 0.70 0.42 -0.55 0.00 0.00 176.35 173.38 1r6p s THR 13 N -3.25 3.73 0.28 5.48 -4.23 -1.26 -5.00 115.64 111.39 1r6p s THR 13 Ca 0.70 -0.50 0.10 0.00 -1.18 0.00 0.00 61.69 60.81 1r6p s THR 13 Cb -0.10 -3.39 -0.02 0.00 1.34 0.00 0.00 72.50 70.33 1r6p s THR 13 CO 0.55 -0.28 1.63 -0.78 -0.54 0.00 0.00 174.62 175.20 1r6p h ASP 14 N 0.30 0.02 0.30 3.99 3.58 -2.00 -2.88 116.42 119.73 1r6p h ASP 14 Ca -0.45 -0.01 -0.10 0.00 0.42 0.00 0.00 57.03 56.89 1r6p h ASP 14 Cb 1.26 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 1r6p h ASP 14 CO 0.56 0.60 -0.41 1.05 -2.88 0.00 0.00 179.24 178.17 1r6p h GLU 15 N 0.01 0.15 -0.29 0.28 4.11 -1.98 -1.04 114.58 115.82 1r6p h GLU 15 Ca -0.01 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.30 1r6p h GLU 15 Cb 1.05 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1r6p h GLU 15 CO 0.08 0.54 -0.05 0.37 0.07 0.00 0.00 179.01 180.03 1r6p h GLN 16 N 0.13 0.54 -0.32 1.06 4.15 -1.91 0.68 115.11 119.44 1r6p h GLN 16 Ca 0.01 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.14 1r6p h GLN 16 Cb 0.79 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1r6p h GLN 16 CO 0.06 0.73 -0.17 0.87 -1.93 0.00 0.00 178.83 178.39 1r6p h LYS 17 N 0.32 0.67 -0.41 1.69 1.57 -1.45 -3.10 116.57 115.87 1r6p h LYS 17 Ca 0.08 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1r6p h LYS 17 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1r6p h LYS 17 CO 0.02 0.89 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.83 1r6p h ASN 18 N 0.43 0.66 -0.49 0.86 2.35 -1.15 0.38 115.58 118.62 1r6p h ASN 18 Ca 0.07 -0.17 0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1r6p h ASN 18 Cb 0.70 -0.18 -0.07 0.00 0.05 0.00 0.00 38.32 38.83 1r6p h ASN 18 CO 0.05 0.76 0.10 -0.08 -1.65 0.00 0.00 177.43 176.62 1r6p h GLU 19 N 0.63 0.23 0.12 0.81 4.57 -0.78 0.14 114.58 120.31 1r6p h GLU 19 Ca 0.12 -0.01 -0.27 0.00 -1.18 0.00 0.00 59.36 58.02 1r6p h GLU 19 Cb 0.48 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.01 1r6p h GLU 19 CO 0.02 0.16 -1.38 0.74 -1.18 0.00 0.00 179.01 177.37 1r6p h PHE 20 N 0.24 0.45 -0.84 0.92 0.04 -1.50 -3.36 116.94 112.90 1r6p h PHE 20 Ca 0.24 -0.33 0.13 0.00 2.80 0.00 0.00 57.97 60.82 1r6p h PHE 20 Cb 0.32 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.39 1r6p h PHE 20 CO -0.22 1.54 0.55 -0.22 -0.60 0.00 0.00 178.31 179.35 1r6p h LYS 21 N -0.31 0.61 0.42 1.51 3.11 -0.15 0.59 116.57 122.36 1r6p h LYS 21 Ca -0.29 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.49 1r6p h LYS 21 Cb 1.75 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.85 1r6p h LYS 21 CO 0.06 0.40 -0.21 0.00 -2.81 0.00 0.00 179.45 176.90 1r6p h ALA 22 N 1.61 -0.58 -0.34 5.00 0.00 -1.11 0.33 119.26 124.18 1r6p h ALA 22 Ca 0.41 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1r6p h ALA 22 Cb 0.70 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1r6p h ALA 22 CO -0.17 -0.82 -0.24 0.00 0.00 0.00 0.00 179.25 178.02 1r6p h ALA 23 N 0.00 0.96 -0.47 0.00 0.00 -1.53 -2.71 119.26 115.51 1r6p h ALA 23 Ca -0.06 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1r6p h ALA 23 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1r6p h ALA 23 CO 0.09 0.61 0.28 0.35 0.00 0.00 0.00 179.25 180.58 1r6p h PHE 24 N 0.58 0.61 -0.49 0.00 3.04 0.45 -0.16 116.94 120.97 1r6p h PHE 24 Ca 0.08 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.95 1r6p h PHE 24 Cb 0.71 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 1r6p h PHE 24 CO 0.03 0.43 -0.04 0.22 -2.02 0.00 0.00 178.31 176.93 1r6p h ASP 25 N 0.62 0.82 0.31 0.41 1.82 -0.21 -0.71 116.42 119.49 1r6p h ASP 25 Ca 0.17 -0.22 -0.23 0.00 -0.39 0.00 0.00 57.03 56.35 1r6p h ASP 25 Cb -0.01 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.79 1r6p h ASP 25 CO -0.03 0.91 -0.96 0.16 -1.61 0.00 0.00 179.24 177.71 1r6p h ILE 26 N 0.78 1.39 -0.07 2.25 3.07 -1.28 -0.91 117.51 122.74 1r6p h ILE 26 Ca 0.14 -2.44 -0.22 0.00 1.55 0.00 0.00 64.86 63.89 1r6p h ILE 26 Cb 0.52 2.43 0.01 0.00 -0.27 0.00 0.00 36.82 39.51 1r6p h ILE 26 CO 0.03 0.73 -0.84 -0.26 -1.05 0.00 0.00 178.15 176.76 1r6p h PHE 27 N 0.24 0.80 -0.19 0.16 0.04 -0.96 -3.14 116.94 113.89 1r6p h PHE 27 Ca -0.09 -0.38 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1r6p h PHE 27 Cb 1.60 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.64 1r6p h PHE 27 CO 0.06 1.19 0.00 0.44 -0.60 0.00 0.00 178.31 179.40 1r6p n ILE 28 N -3.85 0.24 -0.34 -0.55 -6.64 -0.28 -4.30 119.36 103.64 1r6p n ILE 28 Ca -0.07 -0.44 0.13 0.00 -1.77 0.00 0.00 62.75 60.60 1r6p n ILE 28 Cb 0.78 0.62 0.33 0.00 -1.44 0.00 0.00 39.64 39.93 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 2.96 0.74 -0.52 6.28 4.15 -1.10 0.14 115.11 127.75 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 0.65 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1r6p h GLN 29 CO 0.00 0.49 0.00 -0.40 -1.93 0.00 0.00 178.83 176.99 1r6p n ASP 30 N -4.71 4.84 -4.94 -0.69 5.75 -1.26 -4.98 116.55 110.56 1r6p n ASP 30 Ca 0.22 -2.72 -0.26 0.00 -0.01 0.00 0.00 54.79 52.03 1r6p n ASP 30 Cb 0.56 -0.59 -0.03 0.00 -1.03 0.00 0.00 41.12 40.03 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1r6p s ALA 31 N -2.34 3.93 -0.28 2.12 0.00 0.49 -5.03 121.76 120.64 1r6p s ALA 31 Ca 0.49 -1.00 0.09 0.00 0.00 0.00 0.00 51.96 51.53 1r6p s ALA 31 Cb 0.35 -1.83 0.46 0.00 0.00 0.00 0.00 23.12 22.10 1r6p s ALA 31 CO 0.18 0.47 1.19 -0.85 0.00 0.00 0.00 175.76 176.74 1r6p n GLU 32 N -0.70 3.27 0.00 0.00 0.28 -1.26 -4.73 120.64 117.50 1r6p n GLU 32 Ca -0.07 -4.03 0.00 0.00 -0.16 0.00 0.00 57.16 52.91 1r6p n GLU 32 Cb 0.54 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 31.26 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 -0.73 0.03 0.00 -1.84 2.03 -1.26 -5.08 116.55 109.70 1r6p n ASP 33 Ca 0.39 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.70 1r6p n ASP 33 Cb 0.93 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 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 1.56 0.88 3.50 0.27 0.00 -1.26 -5.14 105.19 105.00 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 -1.80 2.51 -0.39 0.00 -5.25 -0.09 -4.77 121.20 111.42 1r6p s ILE 36 Ca -0.08 -0.63 -0.20 0.00 -0.99 0.00 0.00 60.65 58.75 1r6p s ILE 36 Cb -0.00 -2.88 0.01 0.00 2.95 0.00 0.00 42.46 42.54 1r6p s ILE 36 CO 0.04 0.00 0.62 -0.55 -1.79 0.00 0.00 174.94 173.26 1r6p s SER 37 N -4.51 6.37 0.26 4.36 0.15 -1.26 -1.17 113.70 117.90 1r6p s SER 37 Ca 0.60 -0.06 -0.01 0.00 0.70 0.00 0.00 55.95 57.18 1r6p s SER 37 Cb -0.09 -2.32 0.53 0.00 -1.71 0.00 0.00 66.02 62.44 1r6p s SER 37 CO 0.40 -0.65 1.76 0.71 1.20 0.00 0.00 173.24 176.67 1r6p h THR 38 N 5.74 0.74 0.00 6.45 1.35 -1.77 0.22 112.91 125.64 1r6p h THR 38 Ca -0.26 -0.22 -0.05 0.00 -0.55 0.00 0.00 66.41 65.33 1r6p h THR 38 Cb 1.11 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.56 1r6p h THR 38 CO 0.85 0.12 -0.24 0.07 -0.25 0.00 0.00 175.52 176.07 1r6p h LYS 39 N 0.64 0.00 -0.66 4.72 -0.00 -1.92 -2.42 116.57 116.92 1r6p h LYS 39 Ca 0.46 0.00 -0.33 0.00 -0.00 0.00 0.00 60.65 60.78 1r6p h LYS 39 Cb 0.65 0.00 -0.20 0.00 -0.00 0.00 0.00 32.23 32.68 1r6p h LYS 39 CO -0.36 0.24 0.27 0.39 -0.00 0.00 0.00 179.45 179.99 1r6p n GLU 40 N -3.95 2.11 0.15 0.07 1.02 0.63 -4.56 120.64 116.10 1r6p n GLU 40 Ca -0.02 -3.10 0.13 0.00 -0.02 0.00 0.00 57.16 54.15 1r6p n GLU 40 Cb 0.32 -2.00 0.51 0.00 -0.02 0.00 0.00 31.44 30.24 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 1.08 0.00 -2.01 -4.62 6.46 -0.65 -2.94 115.31 112.62 1r6p h LEU 41 Ca 0.41 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 58.26 1r6p h LEU 41 Cb 2.24 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 42.15 1r6p h LEU 41 CO 0.73 0.00 0.22 1.23 -0.62 0.00 0.00 178.44 180.00 1r6p h GLY 42 N 2.45 0.00 2.00 3.75 0.00 -1.83 0.21 103.07 109.64 1r6p h GLY 42 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1r6p h GLY 42 CO 0.00 0.00 -0.21 0.50 0.00 0.00 0.00 176.54 176.83 1r6p h LYS 43 N 0.00 0.00 0.07 4.80 1.57 -1.91 -1.77 116.57 119.32 1r6p h LYS 43 Ca 0.14 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.59 1r6p h LYS 43 Cb 0.59 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1r6p h LYS 43 CO -0.00 0.21 -1.86 1.33 -0.57 0.00 0.00 179.45 178.56 1r6p n VAL 44 N -3.69 1.70 -0.29 0.50 0.24 0.58 -3.72 118.33 113.65 1r6p n VAL 44 Ca -0.01 -0.72 -0.04 0.00 -2.04 0.00 0.00 64.34 61.52 1r6p n VAL 44 Cb 0.33 -1.40 0.07 0.00 -1.47 0.00 0.00 33.84 31.37 1r6p n VAL 44 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1r6p h MET 45 N 0.04 1.03 -0.20 7.34 2.86 -0.89 0.18 114.93 125.28 1r6p h MET 45 Ca -0.36 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 1r6p h MET 45 Cb 2.03 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 33.44 1r6p h MET 45 CO 0.09 0.68 -0.02 0.07 1.06 0.00 0.00 176.91 178.78 1r6p h ARG 46 N 1.06 0.30 0.03 1.72 0.11 -0.96 0.64 114.38 117.28 1r6p h ARG 46 Ca 0.29 -0.05 -0.21 0.00 0.10 0.00 0.00 59.98 60.11 1r6p h ARG 46 Cb -0.11 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 30.90 1r6p h ARG 46 CO -0.07 0.35 -0.96 0.52 0.10 0.00 0.00 179.97 179.91 1r6p h MET 47 N 0.30 0.17 -0.00 0.08 2.86 -1.35 -3.23 114.93 113.76 1r6p h MET 47 Ca 0.07 -0.21 -0.16 0.00 -2.06 0.00 0.00 59.70 57.34 1r6p h MET 47 Cb 0.24 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1r6p h MET 47 CO 0.01 1.01 -0.75 -0.07 1.06 0.00 0.00 176.91 178.16 1r6p h LEU 48 N 0.08 0.03 0.00 1.22 4.07 0.00 -3.47 115.31 117.24 1r6p h LEU 48 Ca -0.05 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1r6p h LEU 48 Cb 1.64 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.37 1r6p h LEU 48 CO 0.15 0.77 0.00 0.61 -1.08 0.00 0.00 178.44 178.88 1r6p n GLY 49 N 0.62 1.99 3.30 0.83 0.00 0.21 -5.08 105.19 107.05 1r6p n GLY 49 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.09 1.24 -0.44 1.61 -1.52 0.20 -4.99 119.66 115.66 1r6p s GLN 50 Ca 0.00 -1.59 0.07 0.00 -1.95 0.00 0.00 55.36 51.89 1r6p s GLN 50 Cb 0.00 -0.65 0.28 0.00 -0.22 0.00 0.00 33.01 32.42 1r6p s GLN 50 CO 0.00 -0.02 0.83 -1.71 -0.25 0.00 0.00 175.29 174.14 1r6p n ASN 51 N -0.34 -1.49 -2.17 5.90 2.85 -1.26 -2.40 115.26 116.36 1r6p n ASN 51 Ca -0.07 -3.20 0.00 0.00 -0.11 0.00 0.00 54.58 51.20 1r6p n ASN 51 Cb 0.62 0.89 0.00 0.00 1.24 0.00 0.00 39.78 42.54 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r6p n PRO 52 N 1.11 1.47 -3.78 1.20 -0.04 -1.26 -5.12 135.00 128.58 1r6p n PRO 52 Ca 0.14 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 1r6p n PRO 52 Cb 0.62 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.04 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 2.52 0.13 0.52 -4.23 -1.26 -4.97 115.64 108.84 1r6p s THR 53 Ca 0.00 -1.48 0.19 0.00 -1.18 0.00 0.00 61.69 59.22 1r6p s THR 53 Cb 0.00 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 70.98 1r6p s THR 53 CO 0.00 -0.00 1.71 1.55 -0.54 0.00 0.00 174.62 177.34 1r6p h PRO 54 N 1.18 0.00 0.12 3.99 0.13 -1.99 -0.82 132.00 134.61 1r6p h PRO 54 Ca -0.42 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.43 1r6p h PRO 54 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1r6p h PRO 54 CO 0.62 0.37 -1.32 0.93 -0.23 0.00 0.00 178.00 178.37 1r6p h GLU 55 N 0.00 0.25 0.00 0.86 4.39 -1.97 -2.99 114.58 115.12 1r6p h GLU 55 Ca -0.00 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.25 1r6p h GLU 55 Cb 0.93 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1r6p h GLU 55 CO 0.05 1.17 -0.08 0.93 -1.16 0.00 0.00 179.01 179.92 1r6p h GLU 56 N 0.07 0.05 -0.64 2.33 5.08 -1.94 -3.30 114.58 116.22 1r6p h GLU 56 Ca -0.16 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1r6p h GLU 56 Cb 1.98 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.21 1r6p h GLU 56 CO 0.19 0.85 0.42 1.37 -1.00 0.00 0.00 179.01 180.84 1r6p h LEU 57 N -0.73 0.74 -1.75 1.33 8.10 -1.30 -1.93 115.31 119.78 1r6p h LEU 57 Ca -0.01 -0.02 0.11 0.00 0.11 0.00 0.00 57.88 58.06 1r6p h LEU 57 Cb 0.88 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 40.88 1r6p h LEU 57 CO 0.02 0.54 0.37 -0.61 -4.11 0.00 0.00 178.44 174.65 1r6p h GLN 58 N 0.87 0.27 0.34 0.17 5.75 -1.61 -1.02 115.11 119.89 1r6p h GLN 58 Ca 0.23 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 1r6p h GLN 58 Cb -0.09 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.40 1r6p h GLN 58 CO -0.05 0.18 -0.16 0.93 -2.65 0.00 0.00 178.83 177.08 1r6p h GLU 59 N 0.28 -0.44 -0.10 1.69 5.08 -1.43 0.26 114.58 119.92 1r6p h GLU 59 Ca 0.25 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 1r6p h GLU 59 Cb 0.63 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1r6p h GLU 59 CO -0.06 -0.23 -0.27 0.00 -1.00 0.00 0.00 179.01 177.46 1r6p h MET 60 N -0.56 0.18 -0.09 2.33 -0.00 -1.53 -2.43 114.93 112.84 1r6p h MET 60 Ca -0.05 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.70 59.57 1r6p h MET 60 Cb 0.41 -0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 32.00 1r6p h MET 60 CO 0.08 0.44 -0.04 0.82 -0.00 0.00 0.00 176.91 178.21 1r6p h ILE 61 N 0.16 1.32 -0.83 -0.10 1.08 -0.99 -1.46 117.51 116.69 1r6p h ILE 61 Ca 0.03 -1.06 0.08 0.00 -0.39 0.00 0.00 64.86 63.51 1r6p h ILE 61 Cb 0.57 1.83 -0.06 0.00 -3.07 0.00 0.00 36.82 36.10 1r6p h ILE 61 CO 0.04 0.30 0.54 0.44 -0.69 0.00 0.00 178.15 178.78 1r6p h ASP 62 N -0.17 0.77 -0.14 1.72 3.32 -0.32 0.51 116.42 122.12 1r6p h ASP 62 Ca 0.02 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1r6p h ASP 62 Cb 0.49 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 1r6p h ASP 62 CO 0.01 0.48 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.85 1r6p h GLU 63 N 0.86 0.30 0.56 3.56 4.81 -1.32 -3.34 114.58 120.01 1r6p h GLU 63 Ca 0.37 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1r6p h GLU 63 Cb 0.32 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.70 1r6p h GLU 63 CO -0.14 0.65 -0.27 0.28 -0.73 0.00 0.00 179.01 178.80 1r6p h VAL 64 N -0.04 0.00 -1.13 0.32 2.07 -0.62 -3.42 116.25 113.43 1r6p h VAL 64 Ca 0.03 -0.33 -0.55 0.00 0.82 0.00 0.00 66.70 66.67 1r6p h VAL 64 Cb 0.57 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1r6p h VAL 64 CO 0.02 0.00 1.58 -0.67 0.02 0.00 0.00 177.57 178.52 1r6p n ASP 65 N -4.92 1.91 0.13 0.57 -0.08 0.17 -4.79 116.55 109.54 1r6p n ASP 65 Ca -0.09 -0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.17 1r6p n ASP 65 Cb 0.30 -1.34 0.11 0.00 2.34 0.00 0.00 41.12 42.53 1r6p n ASP 65 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1r6p h GLU 66 N 15.26 0.00 0.09 -0.67 4.39 -1.84 -3.29 114.58 128.52 1r6p h GLU 66 Ca -0.22 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.31 1r6p h GLU 66 Cb 1.29 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.96 1r6p h GLU 66 CO 1.14 0.67 -0.71 -0.44 -1.16 0.00 0.00 179.01 178.52 1r6p h ASP 67 N 0.00 0.46 -2.14 1.42 3.32 -1.95 -3.48 116.42 114.05 1r6p h ASP 67 Ca -0.01 -0.90 -0.10 0.00 0.02 0.00 0.00 57.03 56.04 1r6p h ASP 67 Cb 1.26 -0.15 0.03 0.00 0.22 0.00 0.00 39.33 40.70 1r6p h ASP 67 CO 0.09 1.32 -0.17 0.61 -1.72 0.00 0.00 179.24 179.36 1r6p n GLY 68 N 1.48 0.53 0.71 2.75 0.00 -1.24 -4.95 105.19 104.47 1r6p n GLY 68 Ca -0.13 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 0.37 2.15 -0.35 1.61 3.41 -1.26 -4.92 113.62 114.64 1r6p n SER 69 Ca -0.00 -1.75 -0.04 0.00 -0.26 0.00 0.00 58.87 56.81 1r6p n SER 69 Cb 0.52 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.24 0.70 2.97 5.00 0.00 -1.26 -5.02 105.19 108.83 1r6p n GLY 70 Ca 0.17 -0.86 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.17 -0.11 -0.19 2.61 -4.23 -1.26 -2.17 115.64 108.13 1r6p s THR 71 Ca 0.00 0.20 -0.20 0.00 -1.18 0.00 0.00 61.69 60.51 1r6p s THR 71 Cb 0.00 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 1r6p s THR 71 CO 0.00 0.08 0.58 -0.69 -0.54 0.00 0.00 174.62 174.05 1r6p s VAL 72 N 1.46 5.06 0.60 2.29 1.01 -0.32 -4.83 120.40 125.68 1r6p s VAL 72 Ca -0.07 1.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 1r6p s VAL 72 Cb -0.11 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1r6p s VAL 72 CO -0.07 0.15 0.88 -1.81 0.00 0.00 0.00 175.10 174.25 1r6p s ASP 73 N 1.14 5.24 0.42 3.32 1.01 -1.26 -0.91 116.67 125.63 1r6p s ASP 73 Ca 0.27 0.34 0.09 0.00 0.71 0.00 0.00 52.55 53.96 1r6p s ASP 73 Cb -0.16 -1.20 0.93 0.00 1.01 0.00 0.00 42.92 43.50 1r6p s ASP 73 CO 0.10 -1.24 2.04 0.15 0.21 0.00 0.00 175.17 176.44 1r6p h PHE 74 N -0.18 0.46 -0.39 4.23 3.57 -1.98 0.61 116.94 123.26 1r6p h PHE 74 Ca -0.44 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 60.97 1r6p h PHE 74 Cb 1.29 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1r6p h PHE 74 CO 0.39 0.27 -0.15 -0.44 -2.23 0.00 0.00 178.31 176.16 1r6p h ASP 75 N 0.48 0.81 1.09 0.41 3.32 -1.97 -2.09 116.42 118.48 1r6p h ASP 75 Ca 0.18 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.75 1r6p h ASP 75 Cb 0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1r6p h ASP 75 CO -0.04 1.01 -0.42 -0.33 -1.72 0.00 0.00 179.24 177.74 1r6p h GLU 76 N 0.60 0.00 0.04 3.56 5.08 -1.69 -2.71 114.58 119.46 1r6p h GLU 76 Ca 0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1r6p h GLU 76 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1r6p h GLU 76 CO 0.05 0.42 -0.02 0.35 -1.00 0.00 0.00 179.01 178.82 1r6p h PHE 77 N 0.00 -0.04 0.00 4.33 3.57 0.43 -2.71 116.94 122.52 1r6p h PHE 77 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1r6p h PHE 77 Cb 1.08 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 1r6p h PHE 77 CO 0.00 0.29 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.86 1r6p h LEU 78 N -0.39 0.00 -0.27 0.59 4.07 -1.43 -3.10 115.31 114.79 1r6p h LEU 78 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1r6p h LEU 78 Cb 0.36 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1r6p h LEU 78 CO 0.01 0.45 0.12 0.58 -1.08 0.00 0.00 178.44 178.51 1r6p h VAL 79 N 0.00 1.16 -1.32 1.22 2.07 -1.43 -2.46 116.25 115.49 1r6p h VAL 79 Ca -0.00 -0.47 0.39 0.00 0.82 0.00 0.00 66.70 67.43 1r6p h VAL 79 Cb 0.88 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.54 1r6p h VAL 79 CO 0.06 0.16 0.90 -0.03 0.02 0.00 0.00 177.57 178.68 1r6p h MET 80 N 0.29 0.11 0.55 1.57 -1.53 -1.40 0.16 114.93 114.68 1r6p h MET 80 Ca 0.09 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.32 1r6p h MET 80 Cb 0.15 -0.03 0.01 0.00 -0.55 0.00 0.00 31.60 31.18 1r6p h MET 80 CO -0.01 0.08 -0.26 1.98 0.14 0.00 0.00 176.91 178.83 1r6p h MET 81 N 0.12 -0.71 -0.03 0.39 -1.53 -1.56 -3.10 114.93 108.52 1r6p h MET 81 Ca 0.71 0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 57.00 1r6p h MET 81 Cb 2.42 0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 33.63 1r6p h MET 81 CO -0.19 -0.41 -0.05 -0.39 0.14 0.00 0.00 176.91 176.01 1r6p h VAL 82 N -1.08 1.05 -0.55 -5.77 -1.51 -1.16 0.56 116.25 107.81 1r6p h VAL 82 Ca -0.07 -0.24 0.10 0.00 -1.23 0.00 0.00 66.70 65.26 1r6p h VAL 82 Cb 0.63 1.09 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 1r6p h VAL 82 CO 0.12 0.07 0.37 0.03 -1.23 0.00 0.00 177.57 176.94 1r6p h ARG 83 N 0.04 0.29 0.01 5.19 2.47 -0.70 -0.11 114.38 121.57 1r6p h ARG 83 Ca 0.01 -0.02 -0.36 0.00 -1.26 0.00 0.00 59.98 58.35 1r6p h ARG 83 Cb 0.11 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.31 1r6p h ARG 83 CO 0.01 0.19 -2.27 0.00 0.56 0.00 0.00 179.97 178.45 1r6p h MET 85 N 0.01 -1.27 -3.42 0.00 -1.53 -0.44 -3.45 114.93 104.83 1r6p h MET 85 Ca -0.51 0.09 -0.22 0.00 -3.44 0.00 0.00 59.70 55.62 1r6p h MET 85 Cb 2.09 0.29 -0.29 0.00 -0.55 0.00 0.00 31.60 33.14 1r6p h MET 85 CO 0.01 -0.85 -0.60 -1.59 0.14 0.00 0.00 176.91 174.02 1r6p s LYS 86 N -5.87 0.11 -0.21 0.39 0.00 -0.10 -5.03 119.74 109.02 1r6p s LYS 86 Ca -0.19 0.20 0.02 0.00 0.00 0.00 0.00 55.97 56.00 1r6p s LYS 86 Cb 0.02 -0.02 0.08 0.00 0.00 0.00 0.00 37.83 37.91 1r6p s LYS 86 CO 0.58 -0.06 0.91 -0.40 0.00 0.00 0.00 175.35 176.37 1r6p n ASP 87 N 3.38 -0.78 -3.13 0.03 5.75 -1.26 -4.42 116.55 116.12 1r6p n ASP 87 Ca -0.17 -1.48 -0.31 0.00 -0.01 0.00 0.00 54.79 52.82 1r6p n ASP 87 Cb 0.57 0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 41.25 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1r6p n ASP 88 N -0.42 5.22 -0.28 -1.12 5.75 -1.26 -5.14 116.55 119.31 1r6p n ASP 88 Ca -0.16 -3.68 0.15 0.00 -0.01 0.00 0.00 54.79 51.08 1r6p n ASP 88 Cb 0.62 -0.72 0.71 0.00 -1.03 0.00 0.00 41.12 40.69 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89