#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 3.50 -1.60 7.83 6.94 -1.26 -4.58 115.26 126.09 1r6p n ASN 2 Ca 0.00 -3.00 -0.13 0.00 -0.02 0.00 0.00 54.58 51.43 1r6p n ASN 2 Cb 0.00 -0.50 0.18 0.00 -2.36 0.00 0.00 39.78 37.09 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1r6p n ASP 3 N -0.69 3.23 0.13 0.53 9.92 -1.26 -4.53 116.55 123.88 1r6p n ASP 3 Ca 0.20 -3.74 0.03 0.00 -0.53 0.00 0.00 54.79 50.74 1r6p n ASP 3 Cb 0.82 -0.71 0.01 0.00 -0.64 0.00 0.00 41.12 40.60 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 1.05 0.75 -0.13 0.53 -0.00 -1.97 -1.66 117.51 116.08 1r6p h ILE 4 Ca 0.38 -2.11 -0.07 0.00 -0.00 0.00 0.00 64.86 63.06 1r6p h ILE 4 Cb 1.98 2.32 -0.01 0.00 -0.00 0.00 0.00 36.82 41.12 1r6p h ILE 4 CO 0.69 0.43 -0.26 1.88 -0.00 0.00 0.00 178.15 180.90 1r6p h TYR 5 N 0.00 0.25 0.03 0.16 0.05 -1.93 0.15 116.97 115.67 1r6p h TYR 5 Ca -0.03 -0.04 -0.34 0.00 0.05 0.00 0.00 58.73 58.36 1r6p h TYR 5 Cb 1.39 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 39.02 1r6p h TYR 5 CO 0.00 0.47 -2.07 1.63 -1.05 0.00 0.00 178.16 177.14 1r6p n LYS 6 N -4.16 0.68 0.08 4.88 4.01 -1.23 -3.47 118.16 118.95 1r6p n LYS 6 Ca -0.01 0.19 -0.06 0.00 -0.51 0.00 0.00 58.31 57.92 1r6p n LYS 6 Cb 0.36 -1.66 0.10 0.00 -0.51 0.00 0.00 35.03 33.32 1r6p n LYS 6 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1r6p h ALA 7 N 0.63 0.81 0.04 7.82 0.00 -1.23 -2.66 119.26 124.65 1r6p h ALA 7 Ca -0.43 -0.56 -0.18 0.00 0.00 0.00 0.00 54.91 53.74 1r6p h ALA 7 Cb 2.06 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.78 1r6p h ALA 7 CO 0.04 0.75 -0.71 0.00 0.00 0.00 0.00 179.25 179.33 1r6p h ALA 8 N 1.16 0.04 0.00 0.00 0.00 -0.89 -2.89 119.26 116.68 1r6p h ALA 8 Ca -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1r6p h ALA 8 Cb 1.15 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1r6p h ALA 8 CO 0.10 0.39 -0.16 -0.24 0.00 0.00 0.00 179.25 179.34 1r6p h VAL 9 N -0.11 0.98 0.00 0.00 3.04 -1.60 0.17 116.25 118.73 1r6p h VAL 9 Ca -0.10 -0.59 -0.03 0.00 -1.01 0.00 0.00 66.70 64.97 1r6p h VAL 9 Cb 1.44 1.33 -0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1r6p h VAL 9 CO 0.14 0.16 -0.36 1.05 -1.01 0.00 0.00 177.57 177.55 1r6p h GLU 10 N 0.00 0.00 -0.09 4.17 4.11 -1.52 -3.33 114.58 117.93 1r6p h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1r6p h GLU 10 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1r6p h GLU 10 CO 0.02 0.10 0.00 0.00 0.07 0.00 0.00 179.01 179.21 1r6p n GLN 11 N -3.03 2.42 -1.21 1.06 10.64 -0.81 -5.05 117.38 121.40 1r6p n GLN 11 Ca 0.02 -2.12 -0.30 0.00 -1.83 0.00 0.00 57.00 52.77 1r6p n GLN 11 Cb 0.59 -1.32 0.24 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 -1.85 0.91 0.69 2.61 0.05 0.55 -5.02 118.68 116.62 1r6p s LEU 12 Ca 0.20 0.48 -0.11 0.00 0.05 0.00 0.00 54.13 54.74 1r6p s LEU 12 Cb 0.16 -2.18 0.01 0.00 -2.05 0.00 0.00 46.19 42.13 1r6p s LEU 12 CO 0.05 -4.06 1.08 0.42 -0.55 0.00 0.00 176.35 173.28 1r6p s THR 13 N -3.17 3.51 0.30 5.48 -4.23 -1.26 -4.97 115.64 111.30 1r6p s THR 13 Ca 0.73 0.44 0.12 0.00 -1.18 0.00 0.00 61.69 61.79 1r6p s THR 13 Cb -0.07 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.33 1r6p s THR 13 CO 0.55 -0.62 1.70 -0.78 -0.54 0.00 0.00 174.62 174.94 1r6p h ASP 14 N -0.61 0.00 0.19 3.99 3.58 -2.00 -2.66 116.42 118.92 1r6p h ASP 14 Ca -0.45 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.93 1r6p h ASP 14 Cb 1.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.29 1r6p h ASP 14 CO 0.63 0.51 -0.27 1.05 -2.88 0.00 0.00 179.24 178.28 1r6p h GLU 15 N 0.00 0.15 -0.07 0.28 -0.00 -1.98 -1.19 114.58 111.77 1r6p h GLU 15 Ca -0.01 -0.05 -0.20 0.00 -0.00 0.00 0.00 59.36 59.11 1r6p h GLU 15 Cb 0.92 -0.01 0.01 0.00 -0.00 0.00 0.00 28.75 29.67 1r6p h GLU 15 CO 0.07 0.42 -0.74 1.96 -0.00 0.00 0.00 179.01 180.71 1r6p h GLN 16 N 0.13 0.62 -0.50 1.06 4.20 -1.86 0.24 115.11 119.00 1r6p h GLN 16 Ca 0.02 -0.58 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 1r6p h GLN 16 Cb 0.56 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1r6p h GLN 16 CO 0.04 1.19 0.25 0.87 -0.67 0.00 0.00 178.83 180.51 1r6p h LYS 17 N 0.26 0.71 0.00 1.46 1.57 -1.26 -2.44 116.57 116.87 1r6p h LYS 17 Ca -0.07 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 1r6p h LYS 17 Cb 1.40 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 1r6p h LYS 17 CO 0.15 0.59 -0.56 -0.91 -0.57 0.00 0.00 179.45 178.15 1r6p h ASN 18 N 0.66 0.00 -0.28 0.86 2.35 -1.26 -0.72 115.58 117.20 1r6p h ASN 18 Ca 0.17 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1r6p h ASN 18 Cb 0.10 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1r6p h ASN 18 CO -0.02 0.56 0.01 -0.08 -1.65 0.00 0.00 177.43 176.25 1r6p h GLU 19 N 0.00 0.10 0.09 0.81 4.81 -0.45 0.31 114.58 120.24 1r6p h GLU 19 Ca -0.01 -0.01 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 1r6p h GLU 19 Cb 1.13 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.49 1r6p h GLU 19 CO 0.07 0.07 -1.02 0.74 -0.73 0.00 0.00 179.01 178.14 1r6p h PHE 20 N 0.10 0.33 -0.90 0.92 0.04 -1.53 -3.34 116.94 112.57 1r6p h PHE 20 Ca 0.13 -0.24 0.19 0.00 2.80 0.00 0.00 57.97 60.85 1r6p h PHE 20 Cb 0.16 -0.01 -0.07 0.00 2.20 0.00 0.00 35.95 38.23 1r6p h PHE 20 CO -0.20 1.40 0.59 -0.22 -0.60 0.00 0.00 178.31 179.28 1r6p h LYS 21 N -0.54 0.46 0.44 1.51 3.11 -1.10 0.64 116.57 121.09 1r6p h LYS 21 Ca -0.22 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.57 1r6p h LYS 21 Cb 1.54 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.67 1r6p h LYS 21 CO 0.03 0.30 -0.21 0.00 -2.81 0.00 0.00 179.45 176.76 1r6p h ALA 22 N 1.61 -0.59 -0.39 5.00 0.00 -1.06 0.18 119.26 124.01 1r6p h ALA 22 Ca 0.47 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 1r6p h ALA 22 Cb 1.06 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1r6p h ALA 22 CO -0.19 -0.80 -0.10 0.00 0.00 0.00 0.00 179.25 178.17 1r6p h ALA 23 N -0.13 1.11 -0.38 0.00 0.00 -1.43 -2.84 119.26 115.60 1r6p h ALA 23 Ca -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1r6p h ALA 23 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1r6p h ALA 23 CO 0.10 0.55 0.25 0.35 0.00 0.00 0.00 179.25 180.51 1r6p h PHE 24 N 0.61 0.48 -0.70 0.00 3.04 0.50 -0.34 116.94 120.52 1r6p h PHE 24 Ca 0.11 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1r6p h PHE 24 Cb 0.53 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 1r6p h PHE 24 CO 0.02 0.30 0.38 0.22 -2.02 0.00 0.00 178.31 177.22 1r6p h ASP 25 N 0.52 0.88 -0.05 0.41 1.82 -0.44 0.02 116.42 119.59 1r6p h ASP 25 Ca 0.14 -0.10 -0.20 0.00 -0.39 0.00 0.00 57.03 56.48 1r6p h ASP 25 Cb -0.06 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.73 1r6p h ASP 25 CO -0.03 0.73 -0.70 0.16 -1.61 0.00 0.00 179.24 177.78 1r6p h ILE 26 N 0.97 1.31 -0.09 2.25 3.07 -1.31 -1.24 117.51 122.46 1r6p h ILE 26 Ca 0.25 -1.96 -0.15 0.00 1.55 0.00 0.00 64.86 64.56 1r6p h ILE 26 Cb 0.04 1.93 -0.01 0.00 -0.27 0.00 0.00 36.82 38.51 1r6p h ILE 26 CO -0.04 0.61 -0.58 -0.26 -1.05 0.00 0.00 178.15 176.83 1r6p h PHE 27 N 0.48 0.38 -0.61 0.16 0.04 -0.92 -2.95 116.94 113.53 1r6p h PHE 27 Ca -0.03 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1r6p h PHE 27 Cb 1.31 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.39 1r6p h PHE 27 CO 0.07 0.81 0.00 0.44 -0.60 0.00 0.00 178.31 179.03 1r6p n ILE 28 N -3.90 0.82 -0.33 -0.55 -6.64 -0.02 -4.43 119.36 104.31 1r6p n ILE 28 Ca -0.02 -0.83 0.12 0.00 -1.77 0.00 0.00 62.75 60.25 1r6p n ILE 28 Cb 0.60 0.43 0.34 0.00 -1.44 0.00 0.00 39.64 39.58 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 3.65 0.73 -0.02 6.28 4.15 -1.03 0.14 115.11 129.02 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 0.83 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1r6p h GLN 29 CO 0.00 0.48 -0.09 -0.40 -1.93 0.00 0.00 178.83 176.90 1r6p n ASP 30 N -4.66 1.86 -4.92 -0.69 5.75 -1.26 -4.92 116.55 107.71 1r6p n ASP 30 Ca 0.21 -1.53 -0.30 0.00 -0.01 0.00 0.00 54.79 53.16 1r6p n ASP 30 Cb 0.52 0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.64 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 -2.13 3.99 -0.32 2.12 0.00 0.49 -5.03 121.76 120.89 1r6p s ALA 31 Ca 0.31 -0.85 0.11 0.00 0.00 0.00 0.00 51.96 51.53 1r6p s ALA 31 Cb 0.20 -1.84 0.46 0.00 0.00 0.00 0.00 23.12 21.94 1r6p s ALA 31 CO 0.38 0.76 1.13 0.39 0.00 0.00 0.00 175.76 178.42 1r6p n GLU 32 N 0.11 2.93 0.00 0.00 -0.58 -1.26 -4.75 120.64 117.09 1r6p n GLU 32 Ca -0.05 -4.01 0.00 0.00 -0.42 0.00 0.00 57.16 52.68 1r6p n GLU 32 Cb 0.52 -2.03 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1r6p n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1r6p n ASP 33 N -0.57 1.12 0.00 1.62 2.03 -1.26 -5.07 116.55 114.42 1r6p n ASP 33 Ca 0.32 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1r6p n ASP 33 Cb 0.85 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.25 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 2.55 0.98 3.52 0.27 0.00 -1.26 -5.14 105.19 106.11 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 -0.10 2.15 -0.30 0.00 -5.25 0.43 -4.74 121.20 113.40 1r6p s ILE 36 Ca -0.03 -0.48 -0.19 0.00 -0.99 0.00 0.00 60.65 58.96 1r6p s ILE 36 Cb -0.04 -2.66 -0.02 0.00 2.95 0.00 0.00 42.46 42.69 1r6p s ILE 36 CO 0.03 0.00 0.55 -0.55 -1.79 0.00 0.00 174.94 173.18 1r6p s SER 37 N -4.73 6.42 0.49 4.36 0.15 -1.26 -1.20 113.70 117.93 1r6p s SER 37 Ca 0.67 0.36 0.20 0.00 0.70 0.00 0.00 55.95 57.87 1r6p s SER 37 Cb -0.06 -2.29 1.24 0.00 -1.71 0.00 0.00 66.02 63.20 1r6p s SER 37 CO 0.45 -0.39 2.01 0.71 1.20 0.00 0.00 173.24 177.23 1r6p h THR 38 N 5.49 0.83 -0.12 6.45 1.35 -1.78 0.16 112.91 125.29 1r6p h THR 38 Ca -0.28 -0.05 -0.12 0.00 -0.55 0.00 0.00 66.41 65.41 1r6p h THR 38 Cb 1.13 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1r6p h THR 38 CO 0.75 0.03 -0.45 0.11 -0.25 0.00 0.00 175.52 175.71 1r6p h LYS 39 N 0.16 0.29 -0.09 4.72 1.57 -1.92 -2.63 116.57 118.67 1r6p h LYS 39 Ca 0.23 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1r6p h LYS 39 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1r6p h LYS 39 CO -0.03 0.69 0.00 -0.85 -0.57 0.00 0.00 179.45 178.69 1r6p n GLU 40 N -3.99 1.27 0.13 3.15 0.28 0.55 -4.06 120.64 117.97 1r6p n GLU 40 Ca -0.02 -0.41 0.19 0.00 -0.16 0.00 0.00 57.16 56.76 1r6p n GLU 40 Cb 0.51 -1.24 0.78 0.00 1.43 0.00 0.00 31.44 32.92 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1r6p h LEU 41 N 0.76 0.00 -1.14 -1.84 7.12 -1.18 -0.34 115.31 118.69 1r6p h LEU 41 Ca 0.00 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.09 1r6p h LEU 41 Cb 0.17 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.24 1r6p h LEU 41 CO 0.00 0.00 0.59 1.23 -0.13 0.00 0.00 178.44 180.13 1r6p h GLY 42 N 0.00 1.36 2.00 3.75 0.00 -1.83 0.38 103.07 108.73 1r6p h GLY 42 Ca 0.15 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1r6p h GLY 42 CO -0.00 0.27 0.00 0.50 0.00 0.00 0.00 176.54 177.30 1r6p h LYS 43 N 1.00 0.00 0.08 4.80 1.79 -1.39 -3.06 116.57 119.80 1r6p h LYS 43 Ca 0.41 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.56 1r6p h LYS 43 Cb 0.28 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.90 1r6p h LYS 43 CO -0.17 0.00 -1.76 0.28 -1.08 0.00 0.00 179.45 176.72 1r6p n VAL 44 N -2.97 1.70 -0.32 0.50 0.31 0.32 -3.86 118.33 114.01 1r6p n VAL 44 Ca 0.01 -0.44 0.11 0.00 -0.01 0.00 0.00 64.34 64.01 1r6p n VAL 44 Cb 0.31 -1.84 0.29 0.00 -0.91 0.00 0.00 33.84 31.69 1r6p n VAL 44 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1r6p h MET 45 N -0.30 0.57 -0.04 5.55 2.86 -0.33 0.46 114.93 123.70 1r6p h MET 45 Ca -0.40 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.13 1r6p h MET 45 Cb 1.78 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 1r6p h MET 45 CO -0.02 0.38 -0.31 0.07 1.06 0.00 0.00 176.91 178.08 1r6p h ARG 46 N 0.59 0.07 0.05 1.72 0.11 -1.42 0.43 114.38 115.93 1r6p h ARG 46 Ca 0.53 -0.02 -0.23 0.00 0.10 0.00 0.00 59.98 60.36 1r6p h ARG 46 Cb 0.88 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 31.94 1r6p h ARG 46 CO -0.43 0.38 -1.08 0.52 0.10 0.00 0.00 179.97 179.47 1r6p h MET 47 N 0.06 0.13 -0.04 0.08 2.86 -0.40 -3.25 114.93 114.38 1r6p h MET 47 Ca 0.01 -0.22 -0.14 0.00 -2.06 0.00 0.00 59.70 57.29 1r6p h MET 47 Cb 0.59 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1r6p h MET 47 CO 0.04 1.08 -0.60 -0.07 1.06 0.00 0.00 176.91 178.42 1r6p h LEU 48 N 0.04 0.16 0.00 1.22 -0.00 -0.13 -3.47 115.31 113.14 1r6p h LEU 48 Ca -0.06 -0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.73 1r6p h LEU 48 Cb 1.81 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 42.43 1r6p h LEU 48 CO 0.16 0.72 0.00 0.61 -0.00 0.00 0.00 178.44 179.93 1r6p n GLY 49 N 0.23 1.99 3.27 0.83 0.00 -0.58 -5.09 105.19 105.84 1r6p n GLY 49 Ca -0.02 0.00 -0.15 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 -0.11 1.16 -0.41 1.61 -1.52 0.14 -5.01 119.66 115.52 1r6p s GLN 50 Ca 0.00 -1.54 0.09 0.00 -1.95 0.00 0.00 55.36 51.95 1r6p s GLN 50 Cb 0.00 -0.53 0.29 0.00 -0.22 0.00 0.00 33.01 32.55 1r6p s GLN 50 CO 0.00 -0.03 0.72 -1.71 -0.25 0.00 0.00 175.29 174.02 1r6p n ASN 51 N -0.28 -0.40 -2.19 5.90 5.15 -1.26 -2.81 115.26 119.36 1r6p n ASN 51 Ca -0.08 -3.02 0.00 0.00 -0.60 0.00 0.00 54.58 50.89 1r6p n ASN 51 Cb 0.62 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 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 0.95 1.54 -3.59 1.20 -0.04 -1.26 -5.12 135.00 128.67 1r6p n PRO 52 Ca 0.19 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 1r6p n PRO 52 Cb 0.61 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.05 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 0.54 2.43 0.17 0.52 -4.23 -1.26 -4.97 115.64 108.84 1r6p s THR 53 Ca 0.00 -1.35 0.19 0.00 -1.18 0.00 0.00 61.69 59.35 1r6p s THR 53 Cb 0.00 -2.78 0.14 0.00 1.34 0.00 0.00 72.50 71.20 1r6p s THR 53 CO 0.00 0.00 1.75 1.55 -0.54 0.00 0.00 174.62 177.38 1r6p h PRO 54 N 0.92 0.00 0.17 3.99 0.13 -1.99 -1.43 132.00 133.80 1r6p h PRO 54 Ca -0.40 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.43 1r6p h PRO 54 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 1r6p h PRO 54 CO 0.56 0.36 -1.37 0.93 -0.23 0.00 0.00 178.00 178.25 1r6p h GLU 55 N 0.00 0.36 0.03 0.86 5.08 -2.00 -2.99 114.58 115.93 1r6p h GLU 55 Ca -0.00 -0.62 -0.00 0.00 -1.00 0.00 0.00 59.36 57.73 1r6p h GLU 55 Cb 0.88 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1r6p h GLU 55 CO 0.05 1.29 -0.02 0.93 -1.00 0.00 0.00 179.01 180.26 1r6p h GLU 56 N 0.10 -0.04 -0.71 2.33 5.08 -1.93 -3.01 114.58 116.40 1r6p h GLU 56 Ca -0.19 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.20 1r6p h GLU 56 Cb 2.05 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.27 1r6p h GLU 56 CO 0.22 0.44 0.47 1.37 -1.00 0.00 0.00 179.01 180.51 1r6p h LEU 57 N -0.55 0.75 -0.53 1.33 8.10 -1.40 -2.21 115.31 120.81 1r6p h LEU 57 Ca -0.00 -0.01 0.01 0.00 0.11 0.00 0.00 57.88 57.99 1r6p h LEU 57 Cb 0.50 -0.18 -0.03 0.00 -0.44 0.00 0.00 40.66 40.52 1r6p h LEU 57 CO 0.01 0.52 0.34 -0.61 -4.11 0.00 0.00 178.44 174.59 1r6p h GLN 58 N 0.87 0.67 -0.93 0.17 5.75 -1.53 -1.41 115.11 118.70 1r6p h GLN 58 Ca 0.28 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.76 1r6p h GLN 58 Cb 0.04 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 1r6p h GLN 58 CO -0.08 0.44 0.61 0.93 -2.65 0.00 0.00 178.83 178.09 1r6p h GLU 59 N 0.69 1.20 -0.59 1.69 4.39 -1.26 0.68 114.58 121.37 1r6p h GLU 59 Ca 0.20 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 1r6p h GLU 59 Cb -0.05 -0.27 -0.03 0.00 -0.10 0.00 0.00 28.75 28.30 1r6p h GLU 59 CO -0.06 0.79 0.15 0.52 -1.16 0.00 0.00 179.01 179.26 1r6p h MET 60 N 1.23 0.92 -0.11 2.33 2.86 -1.12 -2.54 114.93 118.50 1r6p h MET 60 Ca 0.35 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 1r6p h MET 60 Cb -0.10 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.42 1r6p h MET 60 CO -0.09 0.82 -0.05 0.82 1.06 0.00 0.00 176.91 179.47 1r6p h ILE 61 N 0.88 1.32 -0.93 -1.22 2.04 -0.45 -3.08 117.51 116.08 1r6p h ILE 61 Ca 0.19 -1.07 0.17 0.00 1.00 0.00 0.00 64.86 65.15 1r6p h ILE 61 Cb 0.31 1.80 -0.08 0.00 -0.74 0.00 0.00 36.82 38.11 1r6p h ILE 61 CO -0.00 0.31 0.59 0.44 0.00 0.00 0.00 178.15 179.49 1r6p h ASP 62 N -0.13 0.61 -0.24 1.72 3.32 -0.71 0.57 116.42 121.57 1r6p h ASP 62 Ca 0.02 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1r6p h ASP 62 Cb 0.51 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1r6p h ASP 62 CO 0.02 0.27 0.04 -0.33 -1.72 0.00 0.00 179.24 177.52 1r6p h GLU 63 N 0.62 0.13 0.00 3.56 4.39 -1.37 -2.74 114.58 119.17 1r6p h GLU 63 Ca 0.49 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 60.04 1r6p h GLU 63 Cb 0.91 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 1r6p h GLU 63 CO -0.24 0.09 -0.81 -0.39 -1.16 0.00 0.00 179.01 176.49 1r6p h VAL 64 N 0.13 0.92 -0.76 3.13 -1.51 -1.28 -3.41 116.25 113.47 1r6p h VAL 64 Ca 0.11 -2.38 -0.50 0.00 -1.23 0.00 0.00 66.70 62.70 1r6p h VAL 64 Cb 0.11 2.41 -0.07 0.00 -2.13 0.00 0.00 31.29 31.61 1r6p h VAL 64 CO -0.15 0.53 1.53 -0.62 -1.23 0.00 0.00 177.57 177.62 1r6p s ASP 65 N -6.34 5.98 0.22 4.19 -1.08 0.19 -4.77 116.67 115.06 1r6p s ASP 65 Ca 0.02 -1.78 -0.09 0.00 -0.52 0.00 0.00 52.55 50.18 1r6p s ASP 65 Cb 0.08 -2.58 0.21 0.00 -1.46 0.00 0.00 42.92 39.18 1r6p s ASP 65 CO 0.77 -2.04 1.87 -0.33 0.52 0.00 0.00 175.17 175.96 1r6p h GLU 66 N 9.15 0.96 0.20 4.34 5.08 -1.80 -2.79 114.58 129.73 1r6p h GLU 66 Ca 0.28 -0.06 -0.32 0.00 -1.00 0.00 0.00 59.36 58.27 1r6p h GLU 66 Cb 0.93 -0.22 0.03 0.00 0.50 0.00 0.00 28.75 30.00 1r6p h GLU 66 CO 1.35 0.64 -1.39 0.38 -1.00 0.00 0.00 179.01 178.99 1r6p h ASP 67 N 0.99 0.75 -3.18 1.42 2.03 -1.93 -3.49 116.42 113.01 1r6p h ASP 67 Ca 0.31 -0.78 -0.13 0.00 -0.73 0.00 0.00 57.03 55.70 1r6p h ASP 67 Cb -0.02 -0.24 0.06 0.00 -0.83 0.00 0.00 39.33 38.30 1r6p h ASP 67 CO -0.10 1.61 -0.27 0.61 -1.03 0.00 0.00 179.24 180.05 1r6p n GLY 68 N 1.61 0.22 0.49 7.15 0.00 -1.05 -4.95 105.19 108.65 1r6p n GLY 68 Ca -0.14 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.36 1.50 -0.15 1.61 3.41 -1.26 -4.90 113.62 112.46 1r6p n SER 69 Ca -0.08 -1.55 -0.02 0.00 -0.26 0.00 0.00 58.87 56.96 1r6p n SER 69 Cb 0.55 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 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 1.15 0.48 2.99 5.00 0.00 -1.26 -5.03 105.19 108.52 1r6p n GLY 70 Ca 0.18 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.07 -0.02 -0.31 2.61 -4.23 -1.26 -2.28 115.64 108.08 1r6p s THR 71 Ca 0.00 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 60.47 1r6p s THR 71 Cb 0.00 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 1r6p s THR 71 CO 0.00 0.04 0.28 -0.69 -0.54 0.00 0.00 174.62 173.70 1r6p s VAL 72 N 0.64 5.25 0.70 2.29 1.01 -0.34 -4.84 120.40 125.10 1r6p s VAL 72 Ca -0.05 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 1r6p s VAL 72 Cb -0.06 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1r6p s VAL 72 CO -0.03 0.09 1.04 -1.81 0.00 0.00 0.00 175.10 174.38 1r6p s ASP 73 N 1.72 5.06 0.50 3.32 1.11 -1.26 -0.43 116.67 126.69 1r6p s ASP 73 Ca 0.09 0.72 0.16 0.00 0.18 0.00 0.00 52.55 53.70 1r6p s ASP 73 Cb -0.16 -1.45 1.21 0.00 1.07 0.00 0.00 42.92 43.59 1r6p s ASP 73 CO 0.11 -1.48 2.08 0.15 1.18 0.00 0.00 175.17 177.21 1r6p h PHE 74 N -0.60 0.13 -0.15 4.23 3.57 -1.99 0.71 116.94 122.85 1r6p h PHE 74 Ca -0.45 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1r6p h PHE 74 Cb 1.29 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 1r6p h PHE 74 CO 0.40 0.07 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.04 1r6p h ASP 75 N 0.13 0.32 0.13 0.41 3.32 -1.94 -1.94 116.42 116.86 1r6p h ASP 75 Ca 0.11 -0.41 -0.11 0.00 0.02 0.00 0.00 57.03 56.65 1r6p h ASP 75 Cb 0.28 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1r6p h ASP 75 CO -0.02 0.66 -0.38 -0.33 -1.72 0.00 0.00 179.24 177.46 1r6p h GLU 76 N -0.02 0.34 0.40 3.56 5.08 -1.59 -0.96 114.58 121.39 1r6p h GLU 76 Ca 0.03 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1r6p h GLU 76 Cb 0.53 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1r6p h GLU 76 CO 0.02 0.67 -0.19 0.35 -1.00 0.00 0.00 179.01 178.86 1r6p h PHE 77 N 0.29 -0.49 -0.02 4.33 3.57 0.50 -1.48 116.94 123.64 1r6p h PHE 77 Ca 0.03 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 1r6p h PHE 77 Cb 0.80 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1r6p h PHE 77 CO 0.02 -0.27 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.28 1r6p h LEU 78 N -0.59 0.05 -0.18 0.59 4.07 -1.35 -3.09 115.31 114.81 1r6p h LEU 78 Ca -0.05 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1r6p h LEU 78 Cb 0.44 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1r6p h LEU 78 CO 0.09 0.53 0.12 0.58 -1.08 0.00 0.00 178.44 178.68 1r6p h VAL 79 N 0.04 1.04 -0.99 1.22 2.07 -0.96 -1.88 116.25 116.79 1r6p h VAL 79 Ca -0.00 -0.08 0.29 0.00 0.82 0.00 0.00 66.70 67.72 1r6p h VAL 79 Cb 0.87 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1r6p h VAL 79 CO 0.06 0.04 0.71 -0.03 0.02 0.00 0.00 177.57 178.38 1r6p h MET 80 N 0.24 0.01 -0.12 1.57 -1.53 -1.18 0.12 114.93 114.04 1r6p h MET 80 Ca 0.07 -0.00 -0.13 0.00 -3.44 0.00 0.00 59.70 56.20 1r6p h MET 80 Cb -0.03 -0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.03 1r6p h MET 80 CO -0.02 0.01 -0.44 1.98 0.14 0.00 0.00 176.91 178.58 1r6p h MET 81 N 0.01 0.51 0.03 0.39 -1.53 -1.42 -2.18 114.93 110.74 1r6p h MET 81 Ca 0.47 -0.39 -0.22 0.00 -3.44 0.00 0.00 59.70 56.12 1r6p h MET 81 Cb 1.88 0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 32.99 1r6p h MET 81 CO -0.01 1.01 -0.98 -0.39 0.14 0.00 0.00 176.91 176.68 1r6p h VAL 82 N 0.12 1.47 -0.12 -5.77 -1.51 -0.89 -3.00 116.25 106.55 1r6p h VAL 82 Ca -0.02 -2.68 -0.17 0.00 -1.23 0.00 0.00 66.70 62.61 1r6p h VAL 82 Cb 1.07 2.56 -0.01 0.00 -2.13 0.00 0.00 31.29 32.78 1r6p h VAL 82 CO 0.09 0.79 -0.64 0.08 -1.23 0.00 0.00 177.57 176.66 1r6p h ARG 83 N 0.14 0.44 0.00 5.19 0.11 -0.94 0.34 114.38 119.66 1r6p h ARG 83 Ca -0.07 -0.32 -0.07 0.00 0.10 0.00 0.00 59.98 59.61 1r6p h ARG 83 Cb 1.64 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.76 1r6p h ARG 83 CO 0.16 0.94 -0.36 0.00 0.10 0.00 0.00 179.97 180.81 1r6p h MET 85 N 0.00 0.00 -4.43 0.00 4.05 -1.36 -3.46 114.93 109.73 1r6p h MET 85 Ca -0.00 0.00 -0.56 0.00 -0.28 0.00 0.00 59.70 58.86 1r6p h MET 85 Cb 0.68 0.00 -0.36 0.00 -0.80 0.00 0.00 31.60 31.12 1r6p h MET 85 CO 0.05 0.79 -0.82 0.21 0.23 0.00 0.00 176.91 177.37 1r6p s LYS 86 N -2.18 1.85 0.00 0.39 2.36 0.12 -4.84 119.74 117.43 1r6p s LYS 86 Ca -0.19 -0.39 0.00 0.00 -2.55 0.00 0.00 55.97 52.84 1r6p s LYS 86 Cb 0.00 -1.77 0.00 0.00 -1.05 0.00 0.00 37.83 35.01 1r6p s LYS 86 CO 0.53 -0.22 0.00 -3.47 1.55 0.00 0.00 175.35 173.74 1r6p n ASP 87 N 4.77 0.00 -0.12 1.43 -0.08 -1.22 -3.88 116.55 117.45 1r6p n ASP 87 Ca -0.15 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 52.89 1r6p n ASP 87 Cb 0.50 0.01 -0.08 0.00 2.34 0.00 0.00 41.12 43.90 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 -0.91 1.95 -0.10 1.67 -0.08 -1.26 -5.15 116.55 112.66 1r6p n ASP 88 Ca 0.00 0.34 0.01 0.00 -1.51 0.00 0.00 54.79 53.64 1r6p n ASP 88 Cb 0.00 -0.80 0.01 0.00 2.34 0.00 0.00 41.12 42.67 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08