#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 3.06 -0.10 7.83 -0.87 -1.26 -4.90 114.94 118.70 1r6p s ASN 2 Ca 0.00 -3.33 0.15 0.00 -1.57 0.00 0.00 52.86 48.11 1r6p s ASN 2 Cb 0.00 -0.98 -0.24 0.00 -0.02 0.00 0.00 41.25 40.01 1r6p s ASN 2 CO 0.00 -0.15 0.43 0.47 -2.57 0.00 0.00 177.10 175.28 1r6p n ASP 3 N 2.58 0.54 0.19 -1.22 9.92 -1.26 -4.16 116.55 123.15 1r6p n ASP 3 Ca 0.23 0.25 0.17 0.00 -0.53 0.00 0.00 54.79 54.91 1r6p n ASP 3 Cb 0.41 0.34 0.80 0.00 -0.64 0.00 0.00 41.12 42.04 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 0.55 -0.78 0.53 -2.65 -1.97 -1.66 117.51 111.53 1r6p h ILE 4 Ca -0.39 0.00 0.10 0.00 1.03 0.00 0.00 64.86 65.60 1r6p h ILE 4 Cb 2.11 0.85 -0.07 0.00 -2.05 0.00 0.00 36.82 37.65 1r6p h ILE 4 CO 0.06 0.00 0.42 1.88 0.03 0.00 0.00 178.15 180.54 1r6p h TYR 5 N 0.00 0.76 0.02 0.16 -1.99 -1.96 0.23 116.97 114.19 1r6p h TYR 5 Ca 0.09 0.03 -0.26 0.00 2.00 0.00 0.00 58.73 60.59 1r6p h TYR 5 Cb 0.48 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.95 1r6p h TYR 5 CO 0.00 0.29 -1.41 0.87 -0.00 0.00 0.00 178.16 177.91 1r6p h LYS 6 N 0.70 0.04 0.00 4.88 1.79 -1.59 -3.12 116.57 119.28 1r6p h LYS 6 Ca 0.39 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.72 1r6p h LYS 6 Cb 0.39 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1r6p h LYS 6 CO -0.27 0.80 -0.30 0.00 -1.08 0.00 0.00 179.45 178.60 1r6p h ALA 7 N 0.90 1.10 0.11 3.86 0.00 -0.86 -2.38 119.26 122.00 1r6p h ALA 7 Ca -0.17 -0.28 -0.25 0.00 0.00 0.00 0.00 54.91 54.21 1r6p h ALA 7 Cb 1.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1r6p h ALA 7 CO 0.11 0.38 -1.24 0.00 0.00 0.00 0.00 179.25 178.51 1r6p h ALA 8 N 1.70 0.11 0.00 0.00 0.00 -0.66 -3.26 119.26 117.14 1r6p h ALA 8 Ca -0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 54.91 53.88 1r6p h ALA 8 Cb 0.74 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1r6p h ALA 8 CO 0.04 0.70 -0.17 -0.24 0.00 0.00 0.00 179.25 179.58 1r6p h VAL 9 N -0.36 0.92 0.00 0.00 3.04 -1.55 -1.52 116.25 116.79 1r6p h VAL 9 Ca -0.26 -0.62 -0.04 0.00 -1.01 0.00 0.00 66.70 64.76 1r6p h VAL 9 Cb 1.70 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 32.33 1r6p h VAL 9 CO 0.07 0.17 -0.19 1.05 -1.01 0.00 0.00 177.57 177.65 1r6p h GLU 10 N 0.00 0.00 -0.35 4.17 4.11 -1.55 -3.15 114.58 117.82 1r6p h GLU 10 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 1r6p h GLU 10 Cb 0.34 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 1r6p h GLU 10 CO 0.02 0.19 0.02 0.00 0.07 0.00 0.00 179.01 179.32 1r6p n GLN 11 N -3.22 2.80 -1.39 1.06 10.64 -0.63 -5.04 117.38 121.61 1r6p n GLN 11 Ca 0.02 -2.95 -0.35 0.00 -1.83 0.00 0.00 57.00 51.88 1r6p n GLN 11 Cb 0.52 -1.89 0.09 0.00 -0.86 0.00 0.00 30.24 28.10 1r6p n GLN 11 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1r6p n LEU 12 N -0.60 4.45 -4.97 2.61 4.77 -0.87 -5.02 117.00 117.37 1r6p n LEU 12 Ca 0.27 0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 56.71 1r6p n LEU 12 Cb 1.00 -1.48 0.06 0.00 -2.33 0.00 0.00 43.42 40.67 1r6p n LEU 12 CO 0.20 -1.66 0.46 0.42 -1.33 0.00 0.00 177.39 175.48 1r6p s THR 13 N -1.78 2.48 0.35 -5.08 -4.23 -1.26 -4.94 115.64 101.18 1r6p s THR 13 Ca 0.76 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 60.79 1r6p s THR 13 Cb -0.34 -2.92 0.12 0.00 1.34 0.00 0.00 72.50 70.70 1r6p s THR 13 CO 0.48 0.00 1.84 0.44 -0.54 0.00 0.00 174.62 176.83 1r6p h ASP 14 N -0.20 0.29 0.66 3.99 5.19 -2.00 -1.48 116.42 122.88 1r6p h ASP 14 Ca -0.42 -0.08 -0.14 0.00 -0.62 0.00 0.00 57.03 55.77 1r6p h ASP 14 Cb 1.30 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.71 1r6p h ASP 14 CO 0.52 0.51 -0.67 -0.33 -3.12 0.00 0.00 179.24 176.14 1r6p h GLU 15 N 0.28 0.02 -0.12 3.56 5.08 -1.98 -2.34 114.58 119.07 1r6p h GLU 15 Ca 0.05 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1r6p h GLU 15 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1r6p h GLU 15 CO 0.03 0.68 -0.14 0.37 -1.00 0.00 0.00 179.01 178.95 1r6p h GLN 16 N 0.01 0.31 -0.46 2.33 5.75 -1.76 -0.12 115.11 121.18 1r6p h GLN 16 Ca -0.01 -0.17 0.02 0.00 -0.15 0.00 0.00 58.65 58.34 1r6p h GLN 16 Cb 1.19 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.73 1r6p h GLN 16 CO 0.09 0.73 0.27 0.87 -2.65 0.00 0.00 178.83 178.14 1r6p h LYS 17 N -0.09 0.53 0.00 1.69 1.79 -1.29 -1.74 116.57 117.46 1r6p h LYS 17 Ca 0.02 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1r6p h LYS 17 Cb 0.68 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.20 1r6p h LYS 17 CO 0.03 0.35 -0.32 -0.91 -1.08 0.00 0.00 179.45 177.53 1r6p h ASN 18 N 0.55 0.00 -0.24 0.86 2.35 -1.40 0.30 115.58 117.99 1r6p h ASN 18 Ca 0.18 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.99 1r6p h ASN 18 Cb 0.01 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.32 1r6p h ASN 18 CO -0.08 0.32 -0.13 -0.08 -1.65 0.00 0.00 177.43 175.81 1r6p h GLU 19 N 0.00 -0.09 0.12 0.81 4.57 -0.06 -0.33 114.58 119.59 1r6p h GLU 19 Ca -0.00 0.01 -0.36 0.00 -1.18 0.00 0.00 59.36 57.82 1r6p h GLU 19 Cb 0.60 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.19 1r6p h GLU 19 CO 0.04 -0.06 -2.00 1.19 -1.18 0.00 0.00 179.01 177.00 1r6p n PHE 20 N -5.29 1.20 -0.20 0.92 3.01 -1.17 -4.23 117.46 111.70 1r6p n PHE 20 Ca -0.01 0.26 0.12 0.00 1.01 0.00 0.00 57.45 58.83 1r6p n PHE 20 Cb 0.21 -1.15 0.43 0.00 -0.01 0.00 0.00 39.48 38.95 1r6p n PHE 20 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1r6p h LYS 21 N 0.03 0.56 0.32 -1.08 3.11 -0.40 0.47 116.57 119.58 1r6p h LYS 21 Ca -0.43 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.37 1r6p h LYS 21 Cb 2.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 33.10 1r6p h LYS 21 CO 0.07 0.37 -0.21 0.00 -2.81 0.00 0.00 179.45 176.87 1r6p h ALA 22 N 1.63 -0.50 -0.44 5.00 0.00 -1.22 0.45 119.26 124.17 1r6p h ALA 22 Ca 0.38 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 1r6p h ALA 22 Cb 0.67 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1r6p h ALA 22 CO -0.14 -0.80 -0.13 0.00 0.00 0.00 0.00 179.25 178.18 1r6p h ALA 23 N 0.13 0.94 -0.36 0.00 0.00 -1.56 -2.83 119.26 115.58 1r6p h ALA 23 Ca -0.03 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.56 1r6p h ALA 23 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r6p h ALA 23 CO 0.03 0.62 0.21 0.35 0.00 0.00 0.00 179.25 180.46 1r6p h PHE 24 N 0.73 0.40 -0.80 0.00 3.04 0.31 0.87 116.94 121.49 1r6p h PHE 24 Ca 0.12 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.06 1r6p h PHE 24 Cb 0.63 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.98 1r6p h PHE 24 CO 0.03 0.24 0.42 -0.44 -2.02 0.00 0.00 178.31 176.54 1r6p h ASP 25 N 0.44 1.00 0.36 0.41 5.19 0.05 0.42 116.42 124.27 1r6p h ASP 25 Ca 0.14 -0.09 -0.28 0.00 -0.62 0.00 0.00 57.03 56.19 1r6p h ASP 25 Cb 0.00 -0.25 0.02 0.00 0.18 0.00 0.00 39.33 39.27 1r6p h ASP 25 CO -0.07 0.81 -1.19 0.16 -3.12 0.00 0.00 179.24 175.84 1r6p h ILE 26 N 1.12 1.38 -0.05 0.35 3.07 -1.25 -1.89 117.51 120.25 1r6p h ILE 26 Ca 0.28 -2.67 -0.19 0.00 1.55 0.00 0.00 64.86 63.83 1r6p h ILE 26 Cb 0.05 2.73 -0.01 0.00 -0.27 0.00 0.00 36.82 39.33 1r6p h ILE 26 CO -0.04 0.80 -0.78 -0.26 -1.05 0.00 0.00 178.15 176.82 1r6p h PHE 27 N 0.19 0.47 -0.01 0.16 0.04 -0.70 -3.10 116.94 113.99 1r6p h PHE 27 Ca -0.15 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1r6p h PHE 27 Cb 1.87 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.95 1r6p h PHE 27 CO 0.09 0.99 -0.16 0.44 -0.60 0.00 0.00 178.31 179.06 1r6p n ILE 28 N -3.79 0.00 -0.35 -0.55 -6.64 0.12 -4.23 119.36 103.92 1r6p n ILE 28 Ca -0.04 -0.20 0.14 0.00 -1.77 0.00 0.00 62.75 60.88 1r6p n ILE 28 Cb 0.74 0.53 0.33 0.00 -1.44 0.00 0.00 39.64 39.79 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 1.84 0.70 -0.60 6.28 4.15 -1.25 0.20 115.11 126.42 1r6p h GLN 29 Ca 0.00 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.29 1r6p h GLN 29 Cb 0.54 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 1r6p h GLN 29 CO 0.00 0.46 0.11 -0.25 -1.93 0.00 0.00 178.83 177.22 1r6p n ASP 30 N -4.80 5.12 -4.94 -0.69 9.92 -1.26 -4.96 116.55 114.94 1r6p n ASP 30 Ca 0.24 -3.09 -0.27 0.00 -0.53 0.00 0.00 54.79 51.14 1r6p n ASP 30 Cb 0.61 -0.70 -0.03 0.00 -0.64 0.00 0.00 41.12 40.36 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1r6p s ALA 31 N -2.89 3.97 -0.41 2.24 0.00 0.68 -5.03 121.76 120.33 1r6p s ALA 31 Ca 0.53 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1r6p s ALA 31 Cb 0.42 -1.81 0.46 0.00 0.00 0.00 0.00 23.12 22.19 1r6p s ALA 31 CO 0.14 0.58 1.48 0.39 0.00 0.00 0.00 175.76 178.35 1r6p n GLU 32 N -0.41 3.16 0.00 0.00 -0.58 -1.26 -4.65 120.64 116.90 1r6p n GLU 32 Ca -0.06 -3.81 0.00 0.00 -0.42 0.00 0.00 57.16 52.87 1r6p n GLU 32 Cb 0.53 -2.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.16 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1r6p n ASP 33 N -0.81 0.00 0.00 1.62 8.00 -1.26 -5.07 116.55 119.02 1r6p n ASP 33 Ca 0.49 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1r6p n ASP 33 Cb 0.88 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 42.26 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 -0.25 0.99 3.22 0.44 0.00 -1.26 -5.15 105.19 103.18 1r6p n GLY 34 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.23 2.16 -0.46 0.00 -5.25 -0.47 -4.56 121.20 111.39 1r6p s ILE 36 Ca -0.13 -0.25 -0.23 0.00 -0.99 0.00 0.00 60.65 59.05 1r6p s ILE 36 Cb -0.05 -2.91 0.03 0.00 2.95 0.00 0.00 42.46 42.48 1r6p s ILE 36 CO 0.04 0.00 0.78 -0.55 -1.79 0.00 0.00 174.94 173.41 1r6p s SER 37 N -4.67 6.39 0.14 4.36 0.15 -1.26 -1.69 113.70 117.13 1r6p s SER 37 Ca 0.65 -0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.90 1r6p s SER 37 Cb -0.08 -2.38 0.01 0.00 -1.71 0.00 0.00 66.02 61.87 1r6p s SER 37 CO 0.47 -0.93 1.65 0.71 1.20 0.00 0.00 173.24 176.34 1r6p h THR 38 N 5.97 0.50 -0.12 6.45 1.35 -1.86 0.67 112.91 125.87 1r6p h THR 38 Ca -0.25 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.64 1r6p h THR 38 Cb 1.09 0.50 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1r6p h THR 38 CO 0.96 0.00 0.14 0.07 -0.25 0.00 0.00 175.52 176.44 1r6p h LYS 39 N -0.20 0.00 -0.60 4.72 2.10 -1.92 0.55 116.57 121.21 1r6p h LYS 39 Ca 0.12 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.55 1r6p h LYS 39 Cb 0.39 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.58 1r6p h LYS 39 CO -0.32 0.00 0.21 0.39 -2.00 0.00 0.00 179.45 177.72 1r6p n GLU 40 N -3.78 2.82 0.25 0.07 1.02 0.13 -4.56 120.64 116.59 1r6p n GLU 40 Ca 0.00 -3.06 0.10 0.00 -0.02 0.00 0.00 57.16 54.18 1r6p n GLU 40 Cb 0.25 -2.04 0.65 0.00 -0.02 0.00 0.00 31.44 30.28 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 1.77 0.00 -1.53 -4.62 6.46 0.16 -2.17 115.31 115.38 1r6p h LEU 41 Ca 0.28 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 58.19 1r6p h LEU 41 Cb 2.11 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.99 1r6p h LEU 41 CO 0.63 0.13 0.52 1.23 -0.62 0.00 0.00 178.44 180.33 1r6p h GLY 42 N 0.60 0.79 2.00 3.75 0.00 -1.81 0.46 103.07 108.86 1r6p h GLY 42 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1r6p h GLY 42 CO 0.02 0.06 -0.22 1.70 0.00 0.00 0.00 176.54 178.10 1r6p h LYS 43 N 0.46 0.00 0.02 4.80 3.64 -1.76 -1.33 116.57 122.40 1r6p h LYS 43 Ca 0.39 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.44 1r6p h LYS 43 Cb 0.84 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.61 1r6p h LYS 43 CO -0.13 0.22 -1.91 1.33 -2.27 0.00 0.00 179.45 176.68 1r6p n VAL 44 N -3.83 1.60 0.03 2.00 0.24 0.11 -4.18 118.33 114.31 1r6p n VAL 44 Ca -0.02 -0.77 -0.04 0.00 -2.04 0.00 0.00 64.34 61.47 1r6p n VAL 44 Cb 0.32 -1.10 0.17 0.00 -1.47 0.00 0.00 33.84 31.76 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 0.01 0.43 -0.56 7.34 4.05 -0.10 -2.69 114.93 123.41 1r6p h MET 45 Ca -0.37 -0.20 0.05 0.00 -0.28 0.00 0.00 59.70 58.90 1r6p h MET 45 Cb 2.05 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 32.81 1r6p h MET 45 CO 0.06 0.74 0.37 0.07 0.23 0.00 0.00 176.91 178.39 1r6p h ARG 46 N 0.36 0.56 -0.09 0.39 0.11 0.15 0.17 114.38 116.03 1r6p h ARG 46 Ca 0.04 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 59.96 1r6p h ARG 46 Cb 0.82 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.76 1r6p h ARG 46 CO 0.07 0.37 -0.50 0.52 0.10 0.00 0.00 179.97 180.52 1r6p h MET 47 N 0.57 0.24 -0.07 0.08 2.86 -1.66 -2.83 114.93 114.12 1r6p h MET 47 Ca 0.24 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.60 1r6p h MET 47 Cb 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1r6p h MET 47 CO -0.07 0.69 -0.57 -0.07 1.06 0.00 0.00 176.91 177.95 1r6p h LEU 48 N 0.19 0.24 0.00 1.22 4.07 -0.60 -3.47 115.31 116.96 1r6p h LEU 48 Ca 0.01 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1r6p h LEU 48 Cb 0.96 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1r6p h LEU 48 CO 0.08 0.76 0.00 0.61 -1.08 0.00 0.00 178.44 178.81 1r6p n GLY 49 N 0.18 0.23 3.11 0.83 0.00 0.16 -5.11 105.19 104.58 1r6p n GLY 49 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 0.96 -0.46 1.61 -0.21 -0.37 -4.97 119.66 116.22 1r6p s GLN 50 Ca 0.00 -0.60 0.04 0.00 0.02 0.00 0.00 55.36 54.82 1r6p s GLN 50 Cb 0.00 -0.94 0.17 0.00 1.00 0.00 0.00 33.01 33.24 1r6p s GLN 50 CO 0.00 0.24 0.36 0.54 -2.12 0.00 0.00 175.29 174.32 1r6p s ASN 51 N -0.74 2.04 0.00 5.90 4.22 -1.26 -0.93 114.94 124.17 1r6p s ASN 51 Ca 0.03 -3.18 0.00 0.00 -2.14 0.00 0.00 52.86 47.57 1r6p s ASN 51 Cb -0.06 -0.64 0.00 0.00 1.28 0.00 0.00 41.25 41.82 1r6p s ASN 51 CO 0.00 -0.16 0.00 -0.81 -2.04 0.00 0.00 177.10 174.10 1r6p n PRO 52 N 2.72 1.49 -3.08 3.55 -0.04 -1.26 -5.07 135.00 133.32 1r6p n PRO 52 Ca 0.28 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.56 1r6p n PRO 52 Cb 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.42 2.81 0.16 0.52 -4.23 -1.26 -4.96 115.64 109.11 1r6p s THR 53 Ca 0.00 -1.04 0.18 0.00 -1.18 0.00 0.00 61.69 59.66 1r6p s THR 53 Cb 0.00 -2.85 0.13 0.00 1.34 0.00 0.00 72.50 71.12 1r6p s THR 53 CO 0.00 0.00 1.72 1.55 -0.54 0.00 0.00 174.62 177.35 1r6p h PRO 54 N 0.60 0.00 0.12 3.99 0.13 -1.99 -1.37 132.00 133.48 1r6p h PRO 54 Ca -0.38 0.00 -0.28 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 0.46 0.38 -1.28 0.93 -0.23 0.00 0.00 178.00 178.26 1r6p h GLU 55 N 0.00 0.25 -0.15 0.86 5.08 -1.95 -2.56 114.58 116.11 1r6p h GLU 55 Ca -0.00 -0.42 -0.18 0.00 -1.00 0.00 0.00 59.36 57.75 1r6p h GLU 55 Cb 0.92 0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1r6p h GLU 55 CO 0.05 1.18 -0.62 1.49 -1.00 0.00 0.00 179.01 180.11 1r6p h GLU 56 N 0.07 0.69 0.00 2.33 4.81 -1.92 -3.21 114.58 117.34 1r6p h GLU 56 Ca -0.14 -0.54 -0.10 0.00 -0.13 0.00 0.00 59.36 58.45 1r6p h GLU 56 Cb 1.97 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 31.44 1r6p h GLU 56 CO 0.19 1.16 -0.46 1.37 -0.73 0.00 0.00 179.01 180.54 1r6p h LEU 57 N 0.38 0.00 -0.70 1.64 8.10 -1.37 -3.27 115.31 120.09 1r6p h LEU 57 Ca -0.04 0.00 -0.10 0.00 0.11 0.00 0.00 57.88 57.86 1r6p h LEU 57 Cb 1.26 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.46 1r6p h LEU 57 CO 0.13 0.46 -0.04 1.56 -4.11 0.00 0.00 178.44 176.44 1r6p h GLN 58 N 0.00 0.96 -0.51 0.17 1.08 -1.47 -2.05 115.11 113.29 1r6p h GLN 58 Ca -0.00 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 56.83 1r6p h GLN 58 Cb 1.15 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 1r6p h GLN 58 CO 0.06 0.97 0.08 1.05 -0.95 0.00 0.00 178.83 180.05 1r6p h GLU 59 N 0.88 0.80 0.00 1.46 -0.00 -1.60 -0.55 114.58 115.57 1r6p h GLU 59 Ca 0.15 -0.18 -0.16 0.00 -0.00 0.00 0.00 59.36 59.18 1r6p h GLU 59 Cb 0.57 -0.11 -0.02 0.00 -0.00 0.00 0.00 28.75 29.18 1r6p h GLU 59 CO 0.03 0.75 -0.74 0.00 -0.00 0.00 0.00 179.01 179.05 1r6p h MET 60 N 0.76 0.00 -0.03 1.06 -0.00 -1.64 -2.93 114.93 112.15 1r6p h MET 60 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.84 1r6p h MET 60 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1r6p h MET 60 CO 0.01 0.74 -0.06 0.82 -0.00 0.00 0.00 176.91 178.42 1r6p h ILE 61 N 0.00 1.43 -0.75 -0.10 2.04 -1.00 -1.80 117.51 117.33 1r6p h ILE 61 Ca -0.01 -1.35 0.11 0.00 1.00 0.00 0.00 64.86 64.61 1r6p h ILE 61 Cb 1.41 2.26 -0.05 0.00 -0.74 0.00 0.00 36.82 39.70 1r6p h ILE 61 CO 0.10 0.36 0.50 -0.78 0.00 0.00 0.00 178.15 178.32 1r6p h ASP 62 N -0.43 0.56 0.09 1.72 3.58 -1.16 0.69 116.42 121.46 1r6p h ASP 62 Ca 0.00 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 1r6p h ASP 62 Cb 0.62 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1r6p h ASP 62 CO 0.01 0.32 -0.04 -0.33 -2.88 0.00 0.00 179.24 176.32 1r6p h GLU 63 N 0.61 -0.11 -0.25 0.28 5.08 -1.44 -3.26 114.58 115.49 1r6p h GLU 63 Ca 0.35 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.61 1r6p h GLU 63 Cb 0.55 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1r6p h GLU 63 CO -0.13 0.34 -0.29 -0.24 -1.00 0.00 0.00 179.01 177.68 1r6p h VAL 64 N -0.61 1.28 -2.57 3.13 3.04 -0.82 -3.40 116.25 116.30 1r6p h VAL 64 Ca -0.01 -1.36 -0.54 0.00 -1.01 0.00 0.00 66.70 63.78 1r6p h VAL 64 Cb 0.50 1.41 -0.06 0.00 -2.01 0.00 0.00 31.29 31.13 1r6p h VAL 64 CO 0.02 0.43 1.14 -0.62 -1.01 0.00 0.00 177.57 177.53 1r6p s ASP 65 N -6.82 5.97 0.33 3.17 -1.08 0.24 -4.87 116.67 113.61 1r6p s ASP 65 Ca -0.07 0.18 0.00 0.00 -0.52 0.00 0.00 52.55 52.14 1r6p s ASP 65 Cb 0.13 -2.55 0.55 0.00 -1.46 0.00 0.00 42.92 39.60 1r6p s ASP 65 CO 0.80 -1.86 1.99 1.05 0.52 0.00 0.00 175.17 177.67 1r6p h GLU 66 N 11.61 0.95 0.05 4.34 4.11 -1.81 -3.09 114.58 130.74 1r6p h GLU 66 Ca -0.27 -0.06 -0.35 0.00 0.07 0.00 0.00 59.36 58.75 1r6p h GLU 66 Cb 1.10 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1r6p h GLU 66 CO 1.20 0.63 -2.09 -0.40 0.07 0.00 0.00 179.01 178.42 1r6p n ASP 67 N -4.43 1.44 -2.25 3.06 5.75 -1.26 -5.02 116.55 113.84 1r6p n ASP 67 Ca 0.08 0.15 -0.09 0.00 -0.01 0.00 0.00 54.79 54.93 1r6p n ASP 67 Cb 0.04 -0.27 0.05 0.00 -1.03 0.00 0.00 41.12 39.91 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 1.90 0.02 0.15 6.12 0.00 -1.17 -4.93 105.19 107.29 1r6p n GLY 68 Ca -0.31 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.10 0.47 -0.04 1.61 3.41 -1.26 -4.87 113.62 110.83 1r6p n SER 69 Ca -0.14 -1.34 -0.01 0.00 -0.26 0.00 0.00 58.87 57.12 1r6p n SER 69 Cb 0.59 -0.02 -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 0.97 0.45 3.07 5.00 0.00 -1.26 -5.02 105.19 108.39 1r6p n GLY 70 Ca 0.18 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.01 -0.03 -0.19 2.61 -4.23 -1.26 -2.92 115.64 107.60 1r6p s THR 71 Ca 0.00 0.13 -0.19 0.00 -1.18 0.00 0.00 61.69 60.44 1r6p s THR 71 Cb 0.00 -0.39 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 1r6p s THR 71 CO 0.00 0.05 0.56 -0.69 -0.54 0.00 0.00 174.62 174.01 1r6p s VAL 72 N 1.11 5.08 0.54 2.29 1.01 -0.68 -4.84 120.40 124.91 1r6p s VAL 72 Ca -0.08 1.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 1r6p s VAL 72 Cb -0.09 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1r6p s VAL 72 CO -0.08 0.17 0.83 -1.81 0.00 0.00 0.00 175.10 174.21 1r6p s ASP 73 N 1.11 5.72 0.46 3.32 1.01 -1.26 -1.36 116.67 125.66 1r6p s ASP 73 Ca 0.27 0.62 0.12 0.00 0.71 0.00 0.00 52.55 54.27 1r6p s ASP 73 Cb -0.16 -1.71 1.06 0.00 1.01 0.00 0.00 42.92 43.12 1r6p s ASP 73 CO 0.10 -0.92 2.07 0.15 0.21 0.00 0.00 175.17 176.78 1r6p h PHE 74 N 0.02 0.31 -0.42 4.23 3.57 -1.98 0.81 116.94 123.47 1r6p h PHE 74 Ca -0.46 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 1r6p h PHE 74 Cb 1.25 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1r6p h PHE 74 CO 0.48 0.18 -0.17 -0.44 -2.23 0.00 0.00 178.31 176.13 1r6p h ASP 75 N 0.32 0.88 1.07 0.41 3.32 -1.99 -1.74 116.42 118.69 1r6p h ASP 75 Ca 0.14 -0.39 -0.13 0.00 0.02 0.00 0.00 57.03 56.67 1r6p h ASP 75 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 1r6p h ASP 75 CO -0.03 1.07 -0.60 -0.33 -1.72 0.00 0.00 179.24 177.64 1r6p h GLU 76 N 0.68 0.00 -0.02 3.56 5.08 -1.60 -2.52 114.58 119.76 1r6p h GLU 76 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1r6p h GLU 76 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1r6p h GLU 76 CO 0.06 0.60 -0.00 0.35 -1.00 0.00 0.00 179.01 179.01 1r6p h PHE 77 N 0.00 0.03 -0.04 4.33 3.57 0.80 -2.16 116.94 123.47 1r6p h PHE 77 Ca -0.01 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1r6p h PHE 77 Cb 1.29 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 1r6p h PHE 77 CO 0.00 0.35 -0.51 -0.07 -2.23 0.00 0.00 178.31 175.86 1r6p h LEU 78 N -0.30 0.12 0.21 0.59 4.07 -1.38 -3.15 115.31 115.47 1r6p h LEU 78 Ca 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1r6p h LEU 78 Cb 0.34 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1r6p h LEU 78 CO 0.00 0.61 -0.10 0.58 -1.08 0.00 0.00 178.44 178.45 1r6p h VAL 79 N 0.09 0.82 -1.11 1.22 2.07 -1.38 -2.30 116.25 115.65 1r6p h VAL 79 Ca 0.00 -0.16 0.32 0.00 0.82 0.00 0.00 66.70 67.69 1r6p h VAL 79 Cb 0.93 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1r6p h VAL 79 CO 0.07 0.04 0.88 -0.03 0.02 0.00 0.00 177.57 178.55 1r6p h MET 80 N -0.36 0.00 0.59 1.57 -1.53 -1.35 -0.50 114.93 113.35 1r6p h MET 80 Ca -0.03 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.20 1r6p h MET 80 Cb 0.28 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.33 1r6p h MET 80 CO 0.05 0.00 -0.28 1.98 0.14 0.00 0.00 176.91 178.79 1r6p h MET 81 N 0.00 -0.76 0.00 0.39 -1.53 -1.46 -1.77 114.93 109.80 1r6p h MET 81 Ca 0.53 0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.78 1r6p h MET 81 Cb 2.29 0.17 -0.01 0.00 -0.55 0.00 0.00 31.60 33.50 1r6p h MET 81 CO -0.01 -0.46 -0.27 -0.39 0.14 0.00 0.00 176.91 175.92 1r6p h VAL 82 N -0.94 1.07 -0.38 -5.77 -1.51 -1.18 0.27 116.25 107.81 1r6p h VAL 82 Ca -0.08 -0.96 -0.07 0.00 -1.23 0.00 0.00 66.70 64.36 1r6p h VAL 82 Cb 0.65 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 31.33 1r6p h VAL 82 CO 0.13 0.26 -0.04 0.03 -1.23 0.00 0.00 177.57 176.73 1r6p h ARG 83 N 0.00 0.63 0.11 5.19 3.08 -1.05 0.31 114.38 122.65 1r6p h ARG 83 Ca -0.00 -0.16 -0.36 0.00 0.07 0.00 0.00 59.98 59.53 1r6p h ARG 83 Cb 0.52 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1r6p h ARG 83 CO 0.04 0.68 -1.96 0.00 -1.07 0.00 0.00 179.97 177.65 1r6p h MET 85 N -0.01 -0.08 -1.74 0.00 2.86 -0.48 -3.50 114.93 111.98 1r6p h MET 85 Ca -0.42 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1r6p h MET 85 Cb 1.98 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.66 1r6p h MET 85 CO 0.06 0.40 -0.41 1.17 1.06 0.00 0.00 176.91 179.19 1r6p n LYS 86 N -4.89 -2.21 -1.87 1.72 3.00 0.11 -4.74 118.16 109.28 1r6p n LYS 86 Ca -0.09 1.60 -0.38 0.00 -0.00 0.00 0.00 58.31 59.44 1r6p n LYS 86 Cb 0.26 -1.76 -0.02 0.00 0.00 0.00 0.00 35.03 33.52 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 -0.12 7.88 -0.09 3.14 -0.08 -1.26 -4.39 116.55 121.63 1r6p n ASP 87 Ca 0.00 -3.10 -0.14 0.00 -1.51 0.00 0.00 54.79 50.04 1r6p n ASP 87 Cb 0.00 -1.36 -0.14 0.00 2.34 0.00 0.00 41.12 41.96 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1r6p n ASP 88 N 1.77 1.16 0.00 1.67 5.75 -1.26 -5.08 116.55 120.55 1r6p n ASP 88 Ca 0.62 0.02 0.12 0.00 -0.01 0.00 0.00 54.79 55.53 1r6p n ASP 88 Cb 0.29 0.08 0.70 0.00 -1.03 0.00 0.00 41.12 41.17 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85