#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 0.57 0.00 6.12 6.94 -1.26 -4.87 115.26 122.76 1r6p n ASN 2 Ca 0.00 -2.03 0.12 0.00 -0.02 0.00 0.00 54.58 52.65 1r6p n ASN 2 Cb 0.00 -0.14 0.28 0.00 -2.36 0.00 0.00 39.78 37.56 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1r6p n ASP 3 N -0.18 0.46 0.19 0.53 5.75 -1.26 -4.02 116.55 118.02 1r6p n ASP 3 Ca -0.02 -0.17 0.12 0.00 -0.01 0.00 0.00 54.79 54.72 1r6p n ASP 3 Cb 0.94 0.18 0.67 0.00 -1.03 0.00 0.00 41.12 41.88 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1r6p h ILE 4 N 0.00 0.89 -0.17 2.12 -2.65 -2.00 -1.05 117.51 114.65 1r6p h ILE 4 Ca 0.00 0.00 -0.22 0.00 1.03 0.00 0.00 64.86 65.67 1r6p h ILE 4 Cb 0.51 0.92 0.01 0.00 -2.05 0.00 0.00 36.82 36.21 1r6p h ILE 4 CO 0.00 0.00 -0.75 1.88 0.03 0.00 0.00 178.15 179.31 1r6p h TYR 5 N 0.00 1.04 0.00 0.16 0.05 -1.98 -3.06 116.97 113.17 1r6p h TYR 5 Ca 0.07 -0.45 -0.04 0.00 0.05 0.00 0.00 58.73 58.37 1r6p h TYR 5 Cb 0.30 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 1r6p h TYR 5 CO 0.00 1.27 -0.17 0.87 -1.05 0.00 0.00 178.16 179.08 1r6p h LYS 6 N 0.54 0.00 -0.37 4.88 1.57 -1.46 -2.86 116.57 118.87 1r6p h LYS 6 Ca -0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1r6p h LYS 6 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1r6p h LYS 6 CO 0.15 0.17 -0.29 0.00 -0.57 0.00 0.00 179.45 178.92 1r6p h ALA 7 N 1.83 0.79 -0.09 3.86 0.00 -1.20 -1.72 119.26 122.73 1r6p h ALA 7 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1r6p h ALA 7 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1r6p h ALA 7 CO 0.02 0.65 -0.29 0.00 0.00 0.00 0.00 179.25 179.63 1r6p h ALA 8 N 1.00 0.16 0.00 0.00 0.00 -1.52 -2.86 119.26 116.03 1r6p h ALA 8 Ca 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1r6p h ALA 8 Cb 0.82 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1r6p h ALA 8 CO 0.07 0.18 -0.08 -0.24 0.00 0.00 0.00 179.25 179.19 1r6p h VAL 9 N -0.10 0.38 0.00 0.00 3.04 -1.52 0.13 116.25 118.17 1r6p h VAL 9 Ca -0.01 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1r6p h VAL 9 Cb 0.92 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.50 1r6p h VAL 9 CO 0.06 0.08 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.20 1r6p h GLU 10 N 0.00 0.00 -0.03 4.17 4.39 -1.23 -3.33 114.58 118.56 1r6p h GLU 10 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1r6p h GLU 10 Cb 0.30 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 28.72 1r6p h GLU 10 CO 0.01 0.00 -0.81 0.00 -1.16 0.00 0.00 179.01 177.05 1r6p n GLN 11 N -2.79 0.79 -1.46 2.33 10.64 -0.53 -5.09 117.38 121.28 1r6p n GLN 11 Ca 0.04 -2.64 -0.21 0.00 -1.83 0.00 0.00 57.00 52.36 1r6p n GLN 11 Cb 0.50 -0.77 0.14 0.00 -0.86 0.00 0.00 30.24 29.26 1r6p n GLN 11 CO 0.00 0.00 0.00 1.47 -1.83 0.00 0.00 177.06 176.70 1r6p n LEU 12 N -0.23 0.00 -4.86 2.61 -0.00 0.33 -4.99 117.00 109.86 1r6p n LEU 12 Ca 0.12 -1.12 -0.22 0.00 -0.00 0.00 0.00 56.01 54.79 1r6p n LEU 12 Cb 0.94 -0.72 -0.04 0.00 -0.00 0.00 0.00 43.42 43.61 1r6p n LEU 12 CO -0.03 -1.16 -0.02 0.42 -0.00 0.00 0.00 177.39 176.60 1r6p s THR 13 N -3.03 2.53 0.42 1.47 -4.23 -1.26 -5.01 115.64 106.52 1r6p s THR 13 Ca 0.55 -1.41 0.13 0.00 -1.18 0.00 0.00 61.69 59.77 1r6p s THR 13 Cb -0.02 -2.94 0.17 0.00 1.34 0.00 0.00 72.50 71.06 1r6p s THR 13 CO 0.38 0.00 1.96 0.44 -0.54 0.00 0.00 174.62 176.86 1r6p h ASP 14 N 1.07 0.08 -0.87 3.99 3.32 -1.99 -2.07 116.42 119.95 1r6p h ASP 14 Ca -0.41 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 56.71 1r6p h ASP 14 Cb 1.27 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 1r6p h ASP 14 CO 0.59 0.26 0.56 -0.33 -1.72 0.00 0.00 179.24 178.61 1r6p h GLU 15 N 0.08 0.88 -0.28 3.56 5.08 -1.99 -1.35 114.58 120.56 1r6p h GLU 15 Ca 0.01 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1r6p h GLU 15 Cb 0.36 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1r6p h GLU 15 CO 0.02 0.58 -0.09 1.96 -1.00 0.00 0.00 179.01 180.48 1r6p h GLN 16 N 0.90 0.56 -0.04 2.33 7.50 -1.78 0.46 115.11 125.04 1r6p h GLN 16 Ca 0.39 -0.23 0.01 0.00 0.50 0.00 0.00 58.65 59.33 1r6p h GLN 16 Cb 0.33 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.83 1r6p h GLN 16 CO -0.16 0.78 0.05 0.87 -1.50 0.00 0.00 178.83 178.87 1r6p h LYS 17 N 0.30 0.00 0.00 1.46 1.79 -1.17 -2.35 116.57 116.60 1r6p h LYS 17 Ca 0.07 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.24 1r6p h LYS 17 Cb 0.59 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.18 1r6p h LYS 17 CO 0.03 0.00 -2.30 0.09 -1.08 0.00 0.00 179.45 176.19 1r6p n ASN 18 N -3.87 0.02 0.11 0.86 3.02 -0.63 -3.44 115.26 111.33 1r6p n ASN 18 Ca -0.02 0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.41 1r6p n ASN 18 Cb 0.14 1.15 -0.06 0.00 -0.61 0.00 0.00 39.78 40.40 1r6p n ASN 18 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1r6p h GLU 19 N 0.00 -0.35 0.14 3.52 4.81 0.47 -1.18 114.58 121.99 1r6p h GLU 19 Ca -0.44 0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.50 1r6p h GLU 19 Cb 2.02 0.08 0.00 0.00 0.63 0.00 0.00 28.75 31.48 1r6p h GLU 19 CO 0.03 -0.23 -1.50 0.74 -0.73 0.00 0.00 179.01 177.31 1r6p h PHE 20 N -0.36 0.54 -0.25 0.92 0.04 -1.75 -3.32 116.94 112.76 1r6p h PHE 20 Ca 0.02 -0.39 0.03 0.00 2.80 0.00 0.00 57.97 60.43 1r6p h PHE 20 Cb 0.36 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1r6p h PHE 20 CO -0.17 1.41 0.17 -0.22 -0.60 0.00 0.00 178.31 178.91 1r6p h LYS 21 N 0.08 0.19 0.28 1.51 3.11 -1.57 0.35 116.57 120.52 1r6p h LYS 21 Ca -0.24 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.58 1r6p h LYS 21 Cb 2.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 33.22 1r6p h LYS 21 CO 0.18 0.13 -0.17 0.00 -2.81 0.00 0.00 179.45 176.77 1r6p h ALA 22 N 1.86 -0.42 -0.10 5.00 0.00 -1.31 0.21 119.26 124.50 1r6p h ALA 22 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1r6p h ALA 22 Cb 0.19 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1r6p h ALA 22 CO -0.02 -0.75 -0.44 0.00 0.00 0.00 0.00 179.25 178.04 1r6p h ALA 23 N 0.27 1.07 -0.86 0.00 0.00 -1.55 -2.87 119.26 115.32 1r6p h ALA 23 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1r6p h ALA 23 Cb 0.36 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1r6p h ALA 23 CO 0.03 0.61 0.46 0.35 0.00 0.00 0.00 179.25 180.70 1r6p h PHE 24 N 0.19 1.18 -0.35 0.00 3.04 0.20 -0.89 116.94 120.32 1r6p h PHE 24 Ca 0.01 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 1r6p h PHE 24 Cb 0.86 -0.38 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 1r6p h PHE 24 CO 0.01 0.82 -0.07 0.22 -2.02 0.00 0.00 178.31 177.27 1r6p h ASP 25 N 1.20 0.66 -0.47 0.41 1.82 -0.39 0.68 116.42 120.33 1r6p h ASP 25 Ca 0.30 -0.36 -0.12 0.00 -0.39 0.00 0.00 57.03 56.46 1r6p h ASP 25 Cb 0.04 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.85 1r6p h ASP 25 CO -0.05 0.87 -0.16 0.16 -1.61 0.00 0.00 179.24 178.45 1r6p h ILE 26 N 0.45 1.27 0.08 2.25 3.07 -1.34 0.15 117.51 123.45 1r6p h ILE 26 Ca 0.09 -1.31 -0.25 0.00 1.55 0.00 0.00 64.86 64.93 1r6p h ILE 26 Cb 0.57 1.06 -0.00 0.00 -0.27 0.00 0.00 36.82 38.18 1r6p h ILE 26 CO 0.03 0.46 -1.13 -0.26 -1.05 0.00 0.00 178.15 176.20 1r6p h PHE 27 N 0.85 0.43 -2.31 0.16 0.04 -1.14 -3.37 116.94 111.61 1r6p h PHE 27 Ca 0.12 -0.30 -0.60 0.00 2.80 0.00 0.00 57.97 60.00 1r6p h PHE 27 Cb 0.72 -0.03 -0.41 0.00 2.20 0.00 0.00 35.95 38.44 1r6p h PHE 27 CO 0.05 1.20 -0.70 -0.89 -0.60 0.00 0.00 178.31 177.36 1r6p n ILE 28 N -3.56 1.51 -0.06 -0.55 2.08 0.23 -4.84 119.36 114.18 1r6p n ILE 28 Ca -0.07 -4.86 -0.06 0.00 0.56 0.00 0.00 62.75 58.33 1r6p n ILE 28 Cb 0.96 -2.07 -0.04 0.00 -0.75 0.00 0.00 39.64 37.74 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 1r6p h GLN 29 N 4.41 0.00 -0.83 0.38 4.15 -1.13 -3.40 115.11 118.68 1r6p h GLN 29 Ca 0.17 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 59.02 1r6p h GLN 29 Cb 0.73 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 28.09 1r6p h GLN 29 CO 0.73 0.32 0.09 -0.25 -1.93 0.00 0.00 178.83 177.79 1r6p n ASP 30 N -4.69 5.91 -4.94 -0.69 8.00 -1.26 -5.01 116.55 113.86 1r6p n ASP 30 Ca -0.06 -3.77 -0.27 0.00 0.71 0.00 0.00 54.79 51.41 1r6p n ASP 30 Cb 0.20 -0.68 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 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 -3.66 3.95 -0.42 2.24 0.00 -1.26 -5.02 121.76 117.59 1r6p s ALA 31 Ca 0.57 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.63 1r6p s ALA 31 Cb 0.46 -1.83 -0.08 0.00 0.00 0.00 0.00 23.12 21.67 1r6p s ALA 31 CO 0.02 0.54 0.36 0.39 0.00 0.00 0.00 175.76 177.06 1r6p n GLU 32 N -0.52 4.15 0.07 0.00 1.02 -1.26 -4.58 120.64 119.52 1r6p n GLU 32 Ca -0.06 -0.06 -0.13 0.00 -0.02 0.00 0.00 57.16 56.89 1r6p n GLU 32 Cb 0.54 -0.89 -0.13 0.00 -0.02 0.00 0.00 31.44 30.93 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1r6p h ASP 33 N 0.09 0.25 -1.13 1.62 5.19 -2.01 -3.48 116.42 116.96 1r6p h ASP 33 Ca 0.00 -0.30 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1r6p h ASP 33 Cb 0.20 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1r6p h ASP 33 CO 0.00 1.24 -0.02 0.61 -3.12 0.00 0.00 179.24 177.95 1r6p n GLY 34 N 1.52 0.89 2.96 2.75 0.00 -1.26 -5.07 105.19 106.98 1r6p n GLY 34 Ca -0.09 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 1.13 1.97 -0.45 0.00 -5.25 0.81 -4.70 121.20 114.71 1r6p s ILE 36 Ca -0.09 0.00 -0.22 0.00 -0.99 0.00 0.00 60.65 59.35 1r6p s ILE 36 Cb -0.11 -2.91 0.03 0.00 2.95 0.00 0.00 42.46 42.42 1r6p s ILE 36 CO -0.06 0.00 0.74 -0.55 -1.79 0.00 0.00 174.94 173.28 1r6p s SER 37 N -4.53 6.38 0.50 4.36 0.15 -1.26 -1.21 113.70 118.09 1r6p s SER 37 Ca 0.67 -0.19 0.18 0.00 0.70 0.00 0.00 55.95 57.31 1r6p s SER 37 Cb -0.09 -2.37 1.23 0.00 -1.71 0.00 0.00 66.02 63.08 1r6p s SER 37 CO 0.52 -0.88 2.05 0.71 1.20 0.00 0.00 173.24 176.84 1r6p h THR 38 N 5.95 0.89 -0.20 6.45 1.35 -1.83 0.28 112.91 125.81 1r6p h THR 38 Ca -0.25 -0.05 -0.04 0.00 -0.55 0.00 0.00 66.41 65.52 1r6p h THR 38 Cb 1.09 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1r6p h THR 38 CO 0.94 0.02 -0.07 0.11 -0.25 0.00 0.00 175.52 176.28 1r6p h LYS 39 N 0.14 0.31 -0.62 4.72 1.79 -1.91 -1.37 116.57 119.63 1r6p h LYS 39 Ca 0.16 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1r6p h LYS 39 Cb 0.47 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1r6p h LYS 39 CO -0.02 0.39 0.00 0.39 -1.08 0.00 0.00 179.45 179.13 1r6p n GLU 40 N -4.30 4.53 0.23 3.15 -0.58 0.94 -4.46 120.64 120.15 1r6p n GLU 40 Ca -0.00 -2.92 0.13 0.00 -0.42 0.00 0.00 57.16 53.95 1r6p n GLU 40 Cb 0.24 -2.18 0.76 0.00 -0.57 0.00 0.00 31.44 29.69 1r6p n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1r6p h LEU 41 N 3.76 0.00 -1.68 -4.62 7.12 -0.54 0.11 115.31 119.47 1r6p h LEU 41 Ca 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.00 1r6p h LEU 41 Cb 1.83 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.96 1r6p h LEU 41 CO 0.43 0.00 -0.06 1.23 -0.13 0.00 0.00 178.44 179.91 1r6p h GLY 42 N 0.00 0.00 1.94 3.75 0.00 -1.81 0.42 103.07 107.37 1r6p h GLY 42 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.21 1r6p h GLY 42 CO -0.00 0.00 -0.82 1.70 0.00 0.00 0.00 176.54 177.42 1r6p h LYS 43 N 0.00 0.00 0.02 4.80 1.63 -1.12 -3.14 116.57 118.75 1r6p h LYS 43 Ca -0.00 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 1r6p h LYS 43 Cb 0.46 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.04 1r6p h LYS 43 CO 0.01 0.75 -1.98 1.55 -3.45 0.00 0.00 179.45 176.33 1r6p n VAL 44 N -3.28 1.57 -0.36 2.00 3.14 -0.91 -4.08 118.33 116.42 1r6p n VAL 44 Ca 0.00 -0.77 0.01 0.00 -2.96 0.00 0.00 64.34 60.62 1r6p n VAL 44 Cb 0.85 -1.04 0.15 0.00 -1.06 0.00 0.00 33.84 32.75 1r6p n VAL 44 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1r6p h MET 45 N 0.01 1.13 -0.23 1.45 2.86 -0.27 0.36 114.93 120.25 1r6p h MET 45 Ca -0.40 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1r6p h MET 45 Cb 2.07 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 33.46 1r6p h MET 45 CO 0.06 0.75 0.08 0.07 1.06 0.00 0.00 176.91 178.93 1r6p h ARG 46 N 1.17 0.32 -0.00 1.72 0.11 -1.22 -0.53 114.38 115.94 1r6p h ARG 46 Ca 0.41 -0.03 -0.15 0.00 0.10 0.00 0.00 59.98 60.30 1r6p h ARG 46 Cb 0.10 -0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 1r6p h ARG 46 CO -0.15 0.28 -0.70 0.52 0.10 0.00 0.00 179.97 180.02 1r6p h MET 47 N 0.32 0.01 -0.02 0.08 2.86 -1.13 -3.08 114.93 113.98 1r6p h MET 47 Ca 0.08 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 1r6p h MET 47 Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1r6p h MET 47 CO -0.01 0.70 -0.73 -0.07 1.06 0.00 0.00 176.91 177.86 1r6p h LEU 48 N 0.01 0.14 0.00 1.22 -0.00 0.14 -3.47 115.31 113.35 1r6p h LEU 48 Ca -0.01 -0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1r6p h LEU 48 Cb 1.23 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1r6p h LEU 48 CO 0.09 0.82 0.00 0.61 -0.00 0.00 0.00 178.44 179.97 1r6p n GLY 49 N 0.56 1.53 3.44 0.83 0.00 -0.35 -5.10 105.19 106.09 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 -0.86 0.00 0.00 0.00 173.32 172.46 1r6p s GLN 50 N 0.00 0.83 -0.42 1.61 -2.07 -0.37 -5.01 119.66 114.24 1r6p s GLN 50 Ca 0.00 0.33 0.04 0.00 -1.82 0.00 0.00 55.36 53.91 1r6p s GLN 50 Cb 0.00 0.39 0.18 0.00 -1.09 0.00 0.00 33.01 32.49 1r6p s GLN 50 CO 0.00 -0.21 0.36 0.27 -1.32 0.00 0.00 175.29 174.39 1r6p n ASN 51 N 1.62 -0.33 -2.66 12.60 6.94 -1.26 -1.51 115.26 130.65 1r6p n ASN 51 Ca -0.18 -2.42 0.00 0.00 -0.02 0.00 0.00 54.58 51.96 1r6p n ASN 51 Cb 0.56 -0.56 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 2.72 1.43 -2.84 -0.53 -0.04 -1.26 -5.10 135.00 129.38 1r6p n PRO 52 Ca 0.29 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.55 1r6p n PRO 52 Cb 0.48 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.99 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 0.24 2.49 0.16 0.52 -4.23 -1.26 -4.94 115.64 108.62 1r6p s THR 53 Ca 0.00 -0.83 0.18 0.00 -1.18 0.00 0.00 61.69 59.85 1r6p s THR 53 Cb 0.00 -2.66 0.11 0.00 1.34 0.00 0.00 72.50 71.29 1r6p s THR 53 CO 0.00 0.00 1.70 1.55 -0.54 0.00 0.00 174.62 177.33 1r6p h PRO 54 N 0.12 0.00 0.13 3.99 0.13 -1.99 -1.57 132.00 132.82 1r6p h PRO 54 Ca -0.37 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.48 1r6p h PRO 54 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1r6p h PRO 54 CO 0.44 0.41 -1.30 0.93 -0.23 0.00 0.00 178.00 178.25 1r6p h GLU 55 N 0.00 0.28 -0.11 0.86 5.08 -1.99 -2.73 114.58 115.97 1r6p h GLU 55 Ca -0.00 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 57.83 1r6p h GLU 55 Cb 0.96 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1r6p h GLU 55 CO 0.05 1.22 -0.08 1.49 -1.00 0.00 0.00 179.01 180.69 1r6p h GLU 56 N 0.08 0.25 -0.47 2.33 4.81 -1.92 -1.90 114.58 117.76 1r6p h GLU 56 Ca -0.16 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 58.90 1r6p h GLU 56 Cb 1.99 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.35 1r6p h GLU 56 CO 0.20 0.63 0.09 1.37 -0.73 0.00 0.00 179.01 180.58 1r6p h LEU 57 N -0.12 0.67 -0.74 1.64 8.10 -1.40 -2.38 115.31 121.07 1r6p h LEU 57 Ca 0.02 -0.12 -0.09 0.00 0.11 0.00 0.00 57.88 57.81 1r6p h LEU 57 Cb 0.57 -0.17 -0.02 0.00 -0.44 0.00 0.00 40.66 40.59 1r6p h LEU 57 CO 0.02 0.68 0.02 1.56 -4.11 0.00 0.00 178.44 176.61 1r6p h GLN 58 N 0.70 0.98 -0.98 0.17 1.08 -1.43 -2.46 115.11 113.17 1r6p h GLN 58 Ca 0.15 -0.29 0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1r6p h GLN 58 Cb 0.29 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.56 1r6p h GLN 58 CO 0.00 0.95 0.64 0.93 -0.95 0.00 0.00 178.83 180.41 1r6p h GLU 59 N 0.91 1.18 -0.85 1.46 4.39 -0.83 0.79 114.58 121.62 1r6p h GLU 59 Ca 0.17 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1r6p h GLU 59 Cb 0.50 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1r6p h GLU 59 CO 0.02 0.78 0.46 0.52 -1.16 0.00 0.00 179.01 179.63 1r6p h MET 60 N 1.22 1.19 0.02 2.33 2.86 -1.14 -1.74 114.93 119.67 1r6p h MET 60 Ca 0.40 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1r6p h MET 60 Cb 0.05 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.48 1r6p h MET 60 CO -0.13 0.88 -0.01 0.82 1.06 0.00 0.00 176.91 179.53 1r6p h ILE 61 N 1.19 1.15 -0.47 -1.22 1.08 -0.76 0.46 117.51 118.93 1r6p h ILE 61 Ca 0.30 -0.53 0.13 0.00 -0.39 0.00 0.00 64.86 64.37 1r6p h ILE 61 Cb 0.04 1.51 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 1r6p h ILE 61 CO -0.05 0.14 0.34 0.44 -0.69 0.00 0.00 178.15 178.33 1r6p h ASP 62 N -0.26 0.04 0.00 1.72 3.32 -0.63 0.39 116.42 121.00 1r6p h ASP 62 Ca -0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 1r6p h ASP 62 Cb 0.24 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1r6p h ASP 62 CO 0.00 0.02 -0.83 -0.33 -1.72 0.00 0.00 179.24 176.39 1r6p h GLU 63 N 0.04 0.00 0.74 3.56 5.08 -1.04 -3.42 114.58 119.55 1r6p h GLU 63 Ca 0.22 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1r6p h GLU 63 Cb 0.84 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.09 1r6p h GLU 63 CO -0.01 0.56 -0.36 0.28 -1.00 0.00 0.00 179.01 178.49 1r6p h VAL 64 N -1.00 0.00 -1.31 3.13 2.07 0.03 -3.40 116.25 115.77 1r6p h VAL 64 Ca -0.18 -0.19 -0.52 0.00 0.82 0.00 0.00 66.70 66.64 1r6p h VAL 64 Cb 0.91 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1r6p h VAL 64 CO -0.11 0.00 1.60 -0.67 0.02 0.00 0.00 177.57 178.42 1r6p n ASP 65 N -5.19 2.08 -0.08 0.57 -0.08 0.14 -4.82 116.55 109.17 1r6p n ASP 65 Ca -0.12 -0.15 -0.10 0.00 -1.51 0.00 0.00 54.79 52.90 1r6p n ASP 65 Cb 0.39 -1.42 -0.03 0.00 2.34 0.00 0.00 41.12 42.40 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 16.60 0.39 0.16 -0.67 5.08 -1.83 -3.17 114.58 131.13 1r6p h GLU 66 Ca -0.24 -0.07 -0.29 0.00 -1.00 0.00 0.00 59.36 57.76 1r6p h GLU 66 Cb 1.28 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1r6p h GLU 66 CO 1.15 0.42 -1.29 0.38 -1.00 0.00 0.00 179.01 178.67 1r6p h ASP 67 N 0.27 0.58 -3.24 1.42 2.03 -1.95 -3.49 116.42 112.04 1r6p h ASP 67 Ca 0.09 -0.60 -0.13 0.00 -0.73 0.00 0.00 57.03 55.66 1r6p h ASP 67 Cb 0.18 -0.19 0.06 0.00 -0.83 0.00 0.00 39.33 38.55 1r6p h ASP 67 CO -0.01 1.46 -0.28 0.61 -1.03 0.00 0.00 179.24 180.00 1r6p n GLY 68 N 1.54 0.19 0.53 7.15 0.00 -1.20 -4.94 105.19 108.45 1r6p n GLY 68 Ca -0.11 -0.28 0.09 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 -1.47 1.56 -0.37 1.61 3.41 -1.26 -4.89 113.62 112.21 1r6p n SER 69 Ca -0.09 -1.78 -0.04 0.00 -0.26 0.00 0.00 58.87 56.70 1r6p n SER 69 Cb 0.55 -0.13 -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 1.07 0.64 3.07 5.00 0.00 -1.26 -5.02 105.19 108.69 1r6p n GLY 70 Ca 0.14 -0.84 -0.12 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 -2.18 -0.04 -0.31 2.61 -4.23 -1.26 -2.54 115.64 107.70 1r6p s THR 71 Ca 0.00 0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.47 1r6p s THR 71 Cb 0.00 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.44 1r6p s THR 71 CO 0.00 0.05 0.47 -0.69 -0.54 0.00 0.00 174.62 173.92 1r6p s VAL 72 N 1.15 5.07 0.75 2.29 1.01 -0.35 -4.78 120.40 125.55 1r6p s VAL 72 Ca -0.08 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 1r6p s VAL 72 Cb -0.09 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.49 1r6p s VAL 72 CO -0.08 -0.07 1.09 -0.62 0.00 0.00 0.00 175.10 175.42 1r6p s ASP 73 N 1.69 4.63 0.38 3.32 -1.08 -1.26 -0.14 116.67 124.21 1r6p s ASP 73 Ca 0.18 0.57 0.05 0.00 -0.52 0.00 0.00 52.55 52.83 1r6p s ASP 73 Cb -0.16 -1.14 0.76 0.00 -1.46 0.00 0.00 42.92 40.93 1r6p s ASP 73 CO 0.12 -1.76 2.02 0.15 0.52 0.00 0.00 175.17 176.22 1r6p h PHE 74 N -0.81 0.66 -0.51 -5.34 3.57 -1.98 0.92 116.94 113.44 1r6p h PHE 74 Ca -0.45 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.01 1r6p h PHE 74 Cb 1.32 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1r6p h PHE 74 CO 0.28 0.40 0.11 -0.44 -2.23 0.00 0.00 178.31 176.42 1r6p h ASP 75 N 0.70 0.78 1.43 0.41 5.19 -1.94 -1.14 116.42 121.86 1r6p h ASP 75 Ca 0.21 -0.24 -0.06 0.00 -0.62 0.00 0.00 57.03 56.31 1r6p h ASP 75 Cb -0.00 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 1r6p h ASP 75 CO -0.05 0.83 -0.30 -0.33 -3.12 0.00 0.00 179.24 176.26 1r6p h GLU 76 N 0.71 0.00 0.07 3.56 5.08 -1.65 -2.66 114.58 119.69 1r6p h GLU 76 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1r6p h GLU 76 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1r6p h GLU 76 CO 0.01 0.30 -0.03 0.35 -1.00 0.00 0.00 179.01 178.63 1r6p h PHE 77 N 0.00 -0.09 0.00 4.33 3.57 0.12 -2.73 116.94 122.15 1r6p h PHE 77 Ca -0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1r6p h PHE 77 Cb 1.10 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 1r6p h PHE 77 CO 0.00 0.38 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.96 1r6p h LEU 78 N -0.59 0.00 0.07 0.59 4.07 -1.29 -3.07 115.31 115.09 1r6p h LEU 78 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1r6p h LEU 78 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1r6p h LEU 78 CO 0.02 0.43 -0.04 0.58 -1.08 0.00 0.00 178.44 178.35 1r6p h VAL 79 N 0.00 0.97 -1.27 1.22 2.07 -1.47 -2.37 116.25 115.39 1r6p h VAL 79 Ca -0.00 -0.14 0.37 0.00 0.82 0.00 0.00 66.70 67.75 1r6p h VAL 79 Cb 0.75 1.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 1r6p h VAL 79 CO 0.06 0.03 0.87 -0.03 0.02 0.00 0.00 177.57 178.52 1r6p h MET 80 N -0.16 0.13 0.58 1.57 -1.53 -1.38 0.23 114.93 114.37 1r6p h MET 80 Ca -0.01 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.21 1r6p h MET 80 Cb 0.13 -0.03 0.01 0.00 -0.55 0.00 0.00 31.60 31.16 1r6p h MET 80 CO 0.02 0.09 -0.28 1.98 0.14 0.00 0.00 176.91 178.86 1r6p h MET 81 N 0.14 -0.75 0.00 0.39 -1.53 -1.50 -2.77 114.93 108.91 1r6p h MET 81 Ca 0.68 0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.96 1r6p h MET 81 Cb 2.31 0.17 -0.00 0.00 -0.55 0.00 0.00 31.60 33.52 1r6p h MET 81 CO -0.20 -0.44 -0.15 -0.39 0.14 0.00 0.00 176.91 175.87 1r6p h VAL 82 N -1.05 0.87 -0.61 -5.77 -1.51 -1.09 0.99 116.25 108.09 1r6p h VAL 82 Ca -0.08 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 64.81 1r6p h VAL 82 Cb 0.66 1.33 -0.03 0.00 -2.13 0.00 0.00 31.29 31.12 1r6p h VAL 82 CO 0.13 0.15 0.34 0.03 -1.23 0.00 0.00 177.57 176.99 1r6p h ARG 83 N 0.00 0.84 0.09 5.19 2.47 -0.52 0.44 114.38 122.88 1r6p h ARG 83 Ca -0.00 -0.08 -0.34 0.00 -1.26 0.00 0.00 59.98 58.30 1r6p h ARG 83 Cb 0.32 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 1r6p h ARG 83 CO 0.02 0.61 -1.87 0.00 0.56 0.00 0.00 179.97 179.29 1r6p h MET 85 N -0.21 0.30 -2.05 0.00 1.85 -0.78 -3.49 114.93 110.54 1r6p h MET 85 Ca -0.43 -0.08 0.00 0.00 -0.61 0.00 0.00 59.70 58.58 1r6p h MET 85 Cb 1.85 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.84 1r6p h MET 85 CO -0.01 0.48 -0.31 1.17 -0.40 0.00 0.00 176.91 177.84 1r6p n LYS 86 N -4.21 -1.83 -2.53 0.39 3.00 0.15 -4.79 118.16 108.35 1r6p n LYS 86 Ca -0.00 1.62 -0.41 0.00 -0.00 0.00 0.00 58.31 59.51 1r6p n LYS 86 Cb 0.32 -1.39 -0.01 0.00 0.00 0.00 0.00 35.03 33.95 1r6p n LYS 86 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1r6p s ASP 87 N -0.23 6.65 -0.31 3.14 2.15 -1.25 -4.82 116.67 122.01 1r6p s ASP 87 Ca 0.00 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 50.70 1r6p s ASP 87 Cb 0.00 -2.58 0.14 0.00 -0.30 0.00 0.00 42.92 40.18 1r6p s ASP 87 CO 0.00 -1.37 0.32 -1.81 -0.17 0.00 0.00 175.17 172.14 1r6p s ASP 88 N 4.51 1.46 0.00 -0.34 1.01 -1.26 -5.10 116.67 116.95 1r6p s ASP 88 Ca 0.55 -0.88 0.25 0.00 0.71 0.00 0.00 52.55 53.18 1r6p s ASP 88 Cb 0.03 0.57 1.52 0.00 1.01 0.00 0.00 42.92 46.05 1r6p s ASP 88 CO 0.07 -0.36 1.87 -1.20 0.21 0.00 0.00 175.17 175.76