#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 -6.23 -1.52 6.12 5.03 -1.26 -4.90 115.26 112.50 1r6p n ASN 2 Ca 0.00 -0.55 -0.10 0.00 0.87 0.00 0.00 54.58 54.80 1r6p n ASN 2 Cb 0.00 -4.92 0.20 0.00 -1.02 0.00 0.00 39.78 34.04 1r6p n ASN 2 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1r6p n ASP 3 N -2.97 2.99 -0.03 6.41 8.00 -1.26 -4.49 116.55 125.20 1r6p n ASP 3 Ca 0.01 -3.69 -0.10 0.00 0.71 0.00 0.00 54.79 51.72 1r6p n ASP 3 Cb 0.56 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 1r6p n ASP 3 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1r6p n ILE 4 N -1.08 1.59 -0.12 0.53 -6.64 -1.26 -2.95 119.36 109.43 1r6p n ILE 4 Ca 0.41 -0.79 -0.06 0.00 -1.77 0.00 0.00 62.75 60.54 1r6p n ILE 4 Cb 1.24 -1.00 0.12 0.00 -1.44 0.00 0.00 39.64 38.56 1r6p n ILE 4 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 1r6p h TYR 5 N 0.01 0.91 0.00 4.28 0.05 -1.99 -1.66 116.97 118.57 1r6p h TYR 5 Ca -0.34 -0.16 -0.16 0.00 0.05 0.00 0.00 58.73 58.12 1r6p h TYR 5 Cb 2.05 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 39.53 1r6p h TYR 5 CO 0.01 0.87 -0.83 0.87 -1.05 0.00 0.00 178.16 178.03 1r6p h LYS 6 N 0.76 0.00 0.00 4.88 1.57 -1.87 -2.90 116.57 119.02 1r6p h LYS 6 Ca 0.13 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 1r6p h LYS 6 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1r6p h LYS 6 CO 0.03 0.71 -0.36 0.00 -0.57 0.00 0.00 179.45 179.27 1r6p h ALA 7 N 1.25 1.02 0.13 3.86 0.00 -1.37 -2.48 119.26 121.67 1r6p h ALA 7 Ca -0.03 -0.33 -0.26 0.00 0.00 0.00 0.00 54.91 54.29 1r6p h ALA 7 Cb 1.59 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1r6p h ALA 7 CO 0.09 0.45 -1.30 0.00 0.00 0.00 0.00 179.25 178.49 1r6p h ALA 8 N 1.64 0.10 0.00 0.00 0.00 -1.33 -3.23 119.26 116.44 1r6p h ALA 8 Ca -0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 1r6p h ALA 8 Cb 0.86 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1r6p h ALA 8 CO 0.05 0.73 -0.13 -0.24 0.00 0.00 0.00 179.25 179.65 1r6p h VAL 9 N -0.28 0.66 0.00 0.00 3.04 -1.53 -0.77 116.25 117.38 1r6p h VAL 9 Ca -0.27 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 1r6p h VAL 9 Cb 1.77 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 1r6p h VAL 9 CO 0.09 0.13 -0.19 1.05 -1.01 0.00 0.00 177.57 177.64 1r6p h GLU 10 N 0.00 0.00 -0.01 4.17 4.11 -1.55 -3.31 114.58 117.99 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 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1r6p h GLU 10 CO 0.02 0.00 -0.23 0.00 0.07 0.00 0.00 179.01 178.87 1r6p n GLN 11 N -2.62 1.81 -1.12 1.06 10.64 -0.70 -5.03 117.38 121.42 1r6p n GLN 11 Ca 0.04 -0.74 -0.30 0.00 -1.83 0.00 0.00 57.00 54.17 1r6p n GLN 11 Cb 0.48 -1.16 0.23 0.00 -0.86 0.00 0.00 30.24 28.93 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 -1.70 0.85 0.50 2.61 0.05 -0.38 -5.06 118.68 115.55 1r6p s LEU 12 Ca 0.11 0.66 0.04 0.00 0.05 0.00 0.00 54.13 54.98 1r6p s LEU 12 Cb 0.10 -2.44 0.03 0.00 -2.05 0.00 0.00 46.19 41.83 1r6p s LEU 12 CO 0.29 -3.99 0.69 0.42 -0.55 0.00 0.00 176.35 173.21 1r6p s THR 13 N -3.04 2.79 0.25 5.48 -4.23 -1.26 -5.01 115.64 110.62 1r6p s THR 13 Ca 0.71 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 60.47 1r6p s THR 13 Cb -0.10 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 70.73 1r6p s THR 13 CO 0.56 0.00 1.59 -0.78 -0.54 0.00 0.00 174.62 175.45 1r6p h ASP 14 N 0.30 0.22 0.05 3.99 1.82 -2.00 -2.80 116.42 118.00 1r6p h ASP 14 Ca -0.41 -0.12 -0.05 0.00 -0.39 0.00 0.00 57.03 56.06 1r6p h ASP 14 Cb 1.29 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.23 1r6p h ASP 14 CO 0.49 0.75 -0.15 1.05 -1.61 0.00 0.00 179.24 179.76 1r6p h GLU 15 N 0.15 0.21 -0.27 0.28 -0.00 -1.98 -0.01 114.58 112.96 1r6p h GLU 15 Ca -0.00 -0.05 -0.10 0.00 -0.00 0.00 0.00 59.36 59.21 1r6p h GLU 15 Cb 1.06 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.77 1r6p h GLU 15 CO 0.09 0.37 -0.22 0.37 -0.00 0.00 0.00 179.01 179.62 1r6p h GLN 16 N 0.20 0.63 -0.42 1.06 -0.00 -1.90 -0.27 115.11 114.42 1r6p h GLN 16 Ca 0.04 -0.31 -0.06 0.00 -0.00 0.00 0.00 58.65 58.32 1r6p h GLN 16 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 1r6p h GLN 16 CO 0.02 0.91 0.04 0.87 0.00 0.00 0.00 178.83 180.67 1r6p h LYS 17 N 0.36 0.71 0.00 1.69 1.57 -1.34 -2.71 116.57 116.85 1r6p h LYS 17 Ca 0.05 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.57 1r6p h LYS 17 Cb 0.77 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1r6p h LYS 17 CO 0.06 0.77 -0.26 -0.91 -0.57 0.00 0.00 179.45 178.53 1r6p h ASN 18 N 0.55 0.00 -0.16 0.86 2.35 -0.95 0.96 115.58 119.19 1r6p h ASN 18 Ca 0.12 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1r6p h ASN 18 Cb 0.42 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.74 1r6p h ASN 18 CO 0.01 0.26 -0.19 -0.08 -1.65 0.00 0.00 177.43 175.78 1r6p h GLU 19 N 0.00 -0.22 0.13 0.81 4.57 -0.70 0.17 114.58 119.34 1r6p h GLU 19 Ca -0.00 0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 57.98 1r6p h GLU 19 Cb 0.47 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.12 1r6p h GLU 19 CO 0.03 -0.15 -0.98 0.74 -1.18 0.00 0.00 179.01 177.47 1r6p h PHE 20 N -0.23 0.50 -0.85 0.92 0.04 -1.55 -3.34 116.94 112.42 1r6p h PHE 20 Ca 0.11 -0.36 0.17 0.00 2.80 0.00 0.00 57.97 60.68 1r6p h PHE 20 Cb 0.39 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 38.46 1r6p h PHE 20 CO -0.31 1.38 0.56 -0.22 -0.60 0.00 0.00 178.31 179.12 1r6p h LYS 21 N -0.38 0.48 0.35 1.51 3.64 -0.72 0.49 116.57 121.94 1r6p h LYS 21 Ca -0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1r6p h LYS 21 Cb 1.66 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.37 1r6p h LYS 21 CO 0.12 0.31 -0.20 0.00 -2.27 0.00 0.00 179.45 177.41 1r6p h ALA 22 N 1.62 -0.52 -0.49 5.00 0.00 -0.78 0.45 119.26 124.54 1r6p h ALA 22 Ca 0.43 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1r6p h ALA 22 Cb 0.94 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1r6p h ALA 22 CO -0.17 -0.80 -0.10 0.00 0.00 0.00 0.00 179.25 178.18 1r6p h ALA 23 N 0.11 0.89 -0.42 0.00 0.00 -1.48 -2.82 119.26 115.55 1r6p h ALA 23 Ca -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1r6p h ALA 23 Cb 0.42 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1r6p h ALA 23 CO 0.05 0.64 0.26 0.35 0.00 0.00 0.00 179.25 180.55 1r6p h PHE 24 N 0.82 0.48 -0.70 0.00 3.04 0.29 0.55 116.94 121.42 1r6p h PHE 24 Ca 0.13 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.07 1r6p h PHE 24 Cb 0.63 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.95 1r6p h PHE 24 CO 0.04 0.29 0.32 0.22 -2.02 0.00 0.00 178.31 177.15 1r6p h ASP 25 N 0.52 0.93 0.26 0.41 1.82 0.03 0.33 116.42 120.72 1r6p h ASP 25 Ca 0.16 -0.15 -0.21 0.00 -0.39 0.00 0.00 57.03 56.45 1r6p h ASP 25 Cb -0.01 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.76 1r6p h ASP 25 CO -0.07 0.82 -0.85 0.16 -1.61 0.00 0.00 179.24 177.69 1r6p h ILE 26 N 0.98 1.38 -0.01 2.25 3.07 -1.28 -2.15 117.51 121.75 1r6p h ILE 26 Ca 0.24 -2.29 -0.19 0.00 1.55 0.00 0.00 64.86 64.17 1r6p h ILE 26 Cb 0.15 2.26 -0.01 0.00 -0.27 0.00 0.00 36.82 38.95 1r6p h ILE 26 CO -0.03 0.69 -0.84 -0.26 -1.05 0.00 0.00 178.15 176.66 1r6p h PHE 27 N 0.28 0.33 -0.55 0.16 0.04 -0.77 -3.08 116.94 113.35 1r6p h PHE 27 Ca -0.06 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1r6p h PHE 27 Cb 1.46 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1r6p h PHE 27 CO 0.06 0.96 0.00 0.44 -0.60 0.00 0.00 178.31 179.17 1r6p n ILE 28 N -3.70 1.22 -0.34 -0.55 -6.64 0.09 -4.48 119.36 104.96 1r6p n ILE 28 Ca -0.04 -0.89 0.18 0.00 -1.77 0.00 0.00 62.75 60.24 1r6p n ILE 28 Cb 0.78 0.18 0.40 0.00 -1.44 0.00 0.00 39.64 39.56 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 3.38 0.53 -0.47 6.28 4.15 -1.29 0.27 115.11 127.97 1r6p h GLN 29 Ca 0.00 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 1r6p h GLN 29 Cb 1.06 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.59 1r6p h GLN 29 CO 0.12 0.35 0.06 -0.25 -1.93 0.00 0.00 178.83 177.18 1r6p n ASP 30 N -4.87 4.50 -4.94 -0.69 8.00 -1.26 -4.98 116.55 112.30 1r6p n ASP 30 Ca 0.27 -3.12 -0.28 0.00 0.71 0.00 0.00 54.79 52.38 1r6p n ASP 30 Cb 0.77 -0.64 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 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 -2.90 3.98 -0.29 2.24 0.00 0.95 -5.03 121.76 120.71 1r6p s ALA 31 Ca 0.49 -0.97 0.15 0.00 0.00 0.00 0.00 51.96 51.63 1r6p s ALA 31 Cb 0.39 -1.79 0.48 0.00 0.00 0.00 0.00 23.12 22.20 1r6p s ALA 31 CO 0.11 0.63 1.13 -0.85 0.00 0.00 0.00 175.76 176.79 1r6p n GLU 32 N -0.28 2.59 0.00 0.00 0.28 -1.26 -4.81 120.64 117.16 1r6p n GLU 32 Ca -0.06 -3.83 0.00 0.00 -0.16 0.00 0.00 57.16 53.10 1r6p n GLU 32 Cb 0.53 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.49 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 -0.61 0.00 0.00 -1.84 9.92 -1.26 -5.08 116.55 117.69 1r6p n ASP 33 Ca 0.25 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 1r6p n ASP 33 Cb 0.87 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.35 1r6p n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r6p n GLY 34 N 1.51 0.95 3.42 0.44 0.00 -1.26 -5.14 105.19 105.11 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 -0.97 2.66 -0.35 0.00 -5.25 0.11 -4.76 121.20 112.64 1r6p s ILE 36 Ca -0.10 -0.78 -0.19 0.00 -0.99 0.00 0.00 60.65 58.59 1r6p s ILE 36 Cb -0.02 -2.88 -0.00 0.00 2.95 0.00 0.00 42.46 42.51 1r6p s ILE 36 CO 0.07 0.00 0.56 -0.55 -1.79 0.00 0.00 174.94 173.22 1r6p s SER 37 N -4.46 6.36 0.35 4.36 0.15 -1.26 -0.80 113.70 118.40 1r6p s SER 37 Ca 0.58 0.05 0.09 0.00 0.70 0.00 0.00 55.95 57.37 1r6p s SER 37 Cb -0.09 -2.29 0.81 0.00 -1.71 0.00 0.00 66.02 62.74 1r6p s SER 37 CO 0.37 -0.52 1.87 0.71 1.20 0.00 0.00 173.24 176.88 1r6p h THR 38 N 5.63 0.83 -0.17 6.45 1.35 -1.71 0.31 112.91 125.61 1r6p h THR 38 Ca -0.27 -0.24 -0.02 0.00 -0.55 0.00 0.00 66.41 65.33 1r6p h THR 38 Cb 1.12 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1r6p h THR 38 CO 0.79 0.13 0.01 0.07 -0.25 0.00 0.00 175.52 176.27 1r6p h LYS 39 N 0.69 0.24 -0.60 4.72 2.10 -1.92 -1.21 116.57 120.60 1r6p h LYS 39 Ca 0.45 -0.03 -0.08 0.00 -2.00 0.00 0.00 60.65 58.99 1r6p h LYS 39 Cb 0.72 -0.05 -0.05 0.00 -0.90 0.00 0.00 32.23 31.96 1r6p h LYS 39 CO -0.21 0.26 0.09 0.39 -2.00 0.00 0.00 179.45 177.99 1r6p n GLU 40 N -4.40 4.25 0.12 0.07 -0.58 0.10 -4.40 120.64 115.79 1r6p n GLU 40 Ca -0.00 -3.12 0.12 0.00 -0.42 0.00 0.00 57.16 53.74 1r6p n GLU 40 Cb 0.16 -2.20 0.46 0.00 -0.57 0.00 0.00 31.44 29.29 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1r6p n LEU 41 N 0.20 0.73 0.30 -4.62 0.00 -0.46 -2.99 117.00 110.16 1r6p n LEU 41 Ca 0.32 0.63 0.19 0.00 0.00 0.00 0.00 56.01 57.16 1r6p n LEU 41 Cb 1.24 -0.48 1.03 0.00 0.00 0.00 0.00 43.42 45.20 1r6p n LEU 41 CO 0.35 -0.42 1.10 1.23 0.00 0.00 0.00 177.39 179.64 1r6p h GLY 42 N 3.08 0.00 1.63 -3.96 0.00 -1.79 0.63 103.07 102.67 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 -0.51 0.50 0.00 0.00 0.00 176.54 176.53 1r6p h LYS 43 N 0.00 0.00 0.08 4.80 1.79 -1.91 -3.30 116.57 118.03 1r6p h LYS 43 Ca 0.00 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.13 1r6p h LYS 43 Cb 0.11 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 1r6p h LYS 43 CO 0.00 0.13 -1.91 1.33 -1.08 0.00 0.00 179.45 177.92 1r6p n VAL 44 N -2.99 1.72 0.02 0.50 0.24 0.15 -3.53 118.33 114.43 1r6p n VAL 44 Ca 0.01 -0.70 0.08 0.00 -2.04 0.00 0.00 64.34 61.69 1r6p n VAL 44 Cb 0.61 -1.49 0.50 0.00 -1.47 0.00 0.00 33.84 31.99 1r6p n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1r6p h MET 45 N 0.05 0.37 0.00 7.34 -0.00 -1.51 0.32 114.93 121.49 1r6p h MET 45 Ca -0.38 -0.02 -0.19 0.00 -0.00 0.00 0.00 59.70 59.11 1r6p h MET 45 Cb 2.03 -0.08 -0.03 0.00 -0.00 0.00 0.00 31.60 33.52 1r6p h MET 45 CO 0.08 0.24 -0.89 0.00 -0.00 0.00 0.00 176.91 176.34 1r6p h ARG 46 N 0.38 0.00 0.00 -0.10 3.08 -1.64 -1.59 114.38 114.51 1r6p h ARG 46 Ca 0.18 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 60.04 1r6p h ARG 46 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1r6p h ARG 46 CO -0.04 0.89 -0.85 0.52 -1.07 0.00 0.00 179.97 179.42 1r6p h MET 47 N 0.00 0.00 0.00 0.04 2.86 -1.14 -3.20 114.93 113.49 1r6p h MET 47 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1r6p h MET 47 Cb 1.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.23 1r6p h MET 47 CO 0.12 0.85 -0.31 -0.07 1.06 0.00 0.00 176.91 178.56 1r6p h LEU 48 N 0.00 0.00 0.00 1.22 4.07 -0.47 -3.46 115.31 116.67 1r6p h LEU 48 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1r6p h LEU 48 Cb 1.58 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.32 1r6p h LEU 48 CO 0.11 0.31 0.00 0.61 -1.08 0.00 0.00 178.44 178.39 1r6p n GLY 49 N -0.59 1.88 3.48 0.83 0.00 -1.21 -5.11 105.19 104.48 1r6p n GLY 49 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 1.78 -0.38 1.61 -1.52 -0.60 -5.05 119.66 115.50 1r6p s GLN 50 Ca 0.00 -2.04 0.12 0.00 -1.95 0.00 0.00 55.36 51.49 1r6p s GLN 50 Cb 0.00 -0.76 0.39 0.00 -0.22 0.00 0.00 33.01 32.42 1r6p s GLN 50 CO 0.00 -0.32 1.05 0.27 -0.25 0.00 0.00 175.29 176.04 1r6p n ASN 51 N -0.96 -0.45 -3.09 5.90 0.23 -1.26 -3.61 115.26 112.01 1r6p n ASN 51 Ca -0.04 -2.92 0.00 0.00 -0.53 0.00 0.00 54.58 51.08 1r6p n ASN 51 Cb 0.66 0.42 0.00 0.00 -2.08 0.00 0.00 39.78 38.78 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1r6p n PRO 52 N -0.05 0.94 -3.57 -0.53 -0.04 -1.26 -5.11 135.00 125.39 1r6p n PRO 52 Ca 0.09 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 1r6p n PRO 52 Cb 0.77 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.23 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 -0.05 2.17 0.11 0.52 -4.23 -1.26 -4.98 115.64 107.91 1r6p s THR 53 Ca 0.00 -1.32 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 1r6p s THR 53 Cb 0.00 -2.49 0.12 0.00 1.34 0.00 0.00 72.50 71.46 1r6p s THR 53 CO 0.00 0.00 1.67 1.55 -0.54 0.00 0.00 174.62 177.30 1r6p h PRO 54 N 0.74 0.00 0.15 3.99 0.13 -1.99 -1.95 132.00 133.07 1r6p h PRO 54 Ca -0.37 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.47 1r6p h PRO 54 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1r6p h PRO 54 CO 0.54 0.41 -1.30 0.93 -0.23 0.00 0.00 178.00 178.35 1r6p h GLU 55 N 0.00 0.31 0.05 0.86 4.39 -1.99 -2.70 114.58 115.51 1r6p h GLU 55 Ca -0.00 -0.54 -0.00 0.00 0.34 0.00 0.00 59.36 59.16 1r6p h GLU 55 Cb 1.01 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1r6p h GLU 55 CO 0.05 1.25 -0.02 1.49 -1.16 0.00 0.00 179.01 180.62 1r6p h GLU 56 N 0.09 -0.06 -0.50 2.33 4.81 -1.93 -2.20 114.58 117.11 1r6p h GLU 56 Ca -0.16 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 1r6p h GLU 56 Cb 2.01 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.38 1r6p h GLU 56 CO 0.21 0.25 0.24 1.37 -0.73 0.00 0.00 179.01 180.35 1r6p h LEU 57 N -0.38 0.62 -0.74 1.64 8.10 -1.47 -2.18 115.31 120.91 1r6p h LEU 57 Ca -0.01 -0.06 -0.03 0.00 0.11 0.00 0.00 57.88 57.90 1r6p h LEU 57 Cb 0.34 -0.16 -0.03 0.00 -0.44 0.00 0.00 40.66 40.37 1r6p h LEU 57 CO 0.01 0.54 0.34 1.56 -4.11 0.00 0.00 178.44 176.78 1r6p h GLN 58 N 0.70 1.07 -0.73 0.17 1.08 -1.35 -1.44 115.11 114.61 1r6p h GLN 58 Ca 0.18 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1r6p h GLN 58 Cb 0.08 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.29 1r6p h GLN 58 CO -0.02 0.85 0.46 0.93 -0.95 0.00 0.00 178.83 180.09 1r6p h GLU 59 N 1.04 0.97 -0.51 1.46 4.39 -0.76 0.22 114.58 121.40 1r6p h GLU 59 Ca 0.25 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.78 1r6p h GLU 59 Cb 0.14 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1r6p h GLU 59 CO -0.03 0.66 -0.09 0.52 -1.16 0.00 0.00 179.01 178.90 1r6p h MET 60 N 0.99 0.96 -0.06 2.33 2.86 -1.10 -2.35 114.93 118.56 1r6p h MET 60 Ca 0.26 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1r6p h MET 60 Cb -0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 1r6p h MET 60 CO -0.05 1.02 -0.00 0.82 1.06 0.00 0.00 176.91 179.75 1r6p h ILE 61 N 0.82 1.26 -0.42 -1.22 2.04 -0.51 0.16 117.51 119.64 1r6p h ILE 61 Ca 0.13 -0.81 0.11 0.00 1.00 0.00 0.00 64.86 65.30 1r6p h ILE 61 Cb 0.65 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1r6p h ILE 61 CO 0.04 0.22 0.30 0.44 0.00 0.00 0.00 178.15 179.15 1r6p h ASP 62 N -0.19 0.04 0.11 1.72 3.32 -0.54 0.50 116.42 121.37 1r6p h ASP 62 Ca 0.02 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.83 1r6p h ASP 62 Cb 0.35 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1r6p h ASP 62 CO 0.00 0.02 -1.19 -0.33 -1.72 0.00 0.00 179.24 176.03 1r6p h GLU 63 N 0.04 0.23 -0.13 3.56 4.39 -1.20 -3.38 114.58 118.08 1r6p h GLU 63 Ca 0.20 -0.39 -0.20 0.00 0.34 0.00 0.00 59.36 59.31 1r6p h GLU 63 Cb 0.74 0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1r6p h GLU 63 CO -0.01 1.19 -0.70 -0.24 -1.16 0.00 0.00 179.01 178.09 1r6p h VAL 64 N -0.40 1.30 -2.59 3.13 3.04 -0.56 -3.42 116.25 116.76 1r6p h VAL 64 Ca -0.25 -1.93 -0.57 0.00 -1.01 0.00 0.00 66.70 62.93 1r6p h VAL 64 Cb 1.66 2.06 -0.02 0.00 -2.01 0.00 0.00 31.29 32.99 1r6p h VAL 64 CO 0.06 0.60 1.27 -0.62 -1.01 0.00 0.00 177.57 177.87 1r6p s ASP 65 N -6.98 5.98 0.11 3.17 -1.08 0.17 -4.87 116.67 113.18 1r6p s ASP 65 Ca -0.11 1.53 -0.17 0.00 -0.52 0.00 0.00 52.55 53.28 1r6p s ASP 65 Cb 0.08 -2.53 -0.05 0.00 -1.46 0.00 0.00 42.92 38.96 1r6p s ASP 65 CO 0.88 -1.60 1.62 -0.33 0.52 0.00 0.00 175.17 176.26 1r6p h GLU 66 N 12.53 0.50 0.16 4.34 4.39 -1.87 -3.26 114.58 131.37 1r6p h GLU 66 Ca -0.36 -0.11 -0.34 0.00 0.34 0.00 0.00 59.36 58.89 1r6p h GLU 66 Cb 1.18 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1r6p h GLU 66 CO 1.01 0.55 -1.72 0.38 -1.16 0.00 0.00 179.01 178.07 1r6p h ASP 67 N 0.35 0.52 -3.42 1.42 2.03 -1.96 -3.49 116.42 111.88 1r6p h ASP 67 Ca 0.10 -0.80 -0.13 0.00 -0.73 0.00 0.00 57.03 55.47 1r6p h ASP 67 Cb 0.27 -0.17 0.07 0.00 -0.83 0.00 0.00 39.33 38.67 1r6p h ASP 67 CO -0.00 1.68 -0.30 0.61 -1.03 0.00 0.00 179.24 180.20 1r6p n GLY 68 N 1.81 0.13 0.62 7.15 0.00 -1.23 -4.94 105.19 108.73 1r6p n GLY 68 Ca -0.23 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.83 1.80 -0.49 1.61 3.41 -1.26 -4.88 113.62 111.98 1r6p n SER 69 Ca -0.11 -2.01 -0.06 0.00 -0.26 0.00 0.00 58.87 56.43 1r6p n SER 69 Cb 0.57 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.01 0.87 3.03 5.00 0.00 -1.26 -5.01 105.19 108.84 1r6p n GLY 70 Ca 0.11 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.24 -0.03 -0.30 2.61 -4.23 -1.26 -1.90 115.64 108.29 1r6p s THR 71 Ca 0.00 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.51 1r6p s THR 71 Cb 0.00 -0.32 -0.03 0.00 1.34 0.00 0.00 72.50 73.49 1r6p s THR 71 CO 0.00 0.04 0.18 -0.69 -0.54 0.00 0.00 174.62 173.62 1r6p s VAL 72 N 0.86 5.04 0.70 2.29 1.01 0.02 -4.84 120.40 125.48 1r6p s VAL 72 Ca -0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1r6p s VAL 72 Cb -0.08 -3.49 0.02 0.00 0.00 0.00 0.00 36.38 32.83 1r6p s VAL 72 CO -0.05 0.14 1.08 -1.81 0.00 0.00 0.00 175.10 174.46 1r6p s ASP 73 N 1.70 5.43 0.43 3.32 1.11 -1.26 0.06 116.67 127.46 1r6p s ASP 73 Ca 0.06 1.08 0.11 0.00 0.18 0.00 0.00 52.55 53.99 1r6p s ASP 73 Cb -0.17 -1.89 0.97 0.00 1.07 0.00 0.00 42.92 42.91 1r6p s ASP 73 CO 0.09 -1.33 2.01 0.15 1.18 0.00 0.00 175.17 177.27 1r6p h PHE 74 N -0.62 0.45 -0.32 4.23 3.57 -1.98 0.68 116.94 122.95 1r6p h PHE 74 Ca -0.45 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 1r6p h PHE 74 Cb 1.26 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 1r6p h PHE 74 CO 0.49 0.24 -0.02 0.22 -2.23 0.00 0.00 178.31 177.02 1r6p h ASP 75 N 0.45 0.57 0.51 0.41 1.82 -1.92 -1.47 116.42 116.78 1r6p h ASP 75 Ca 0.22 -0.32 -0.11 0.00 -0.39 0.00 0.00 57.03 56.43 1r6p h ASP 75 Cb 0.30 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.14 1r6p h ASP 75 CO -0.06 0.75 -0.52 -0.33 -1.61 0.00 0.00 179.24 177.47 1r6p h GLU 76 N 0.37 0.02 0.21 0.28 5.08 -1.54 -0.53 114.58 118.46 1r6p h GLU 76 Ca 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1r6p h GLU 76 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1r6p h GLU 76 CO 0.02 0.54 -0.10 0.35 -1.00 0.00 0.00 179.01 178.82 1r6p h PHE 77 N 0.01 -0.26 0.00 4.33 3.57 0.58 -1.91 116.94 123.26 1r6p h PHE 77 Ca -0.00 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1r6p h PHE 77 Cb 0.93 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1r6p h PHE 77 CO 0.00 0.00 -0.54 -0.07 -2.23 0.00 0.00 178.31 175.47 1r6p h LEU 78 N -0.49 0.00 -0.51 0.59 4.07 -1.27 -3.13 115.31 114.56 1r6p h LEU 78 Ca -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1r6p h LEU 78 Cb 0.37 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 1r6p h LEU 78 CO 0.05 0.54 0.27 0.58 -1.08 0.00 0.00 178.44 178.79 1r6p h VAL 79 N 0.00 1.18 -1.23 1.22 2.07 -0.99 -2.27 116.25 116.24 1r6p h VAL 79 Ca -0.01 -0.48 0.35 0.00 0.82 0.00 0.00 66.70 67.38 1r6p h VAL 79 Cb 1.07 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1r6p h VAL 79 CO 0.07 0.20 0.84 -0.03 0.02 0.00 0.00 177.57 178.67 1r6p h MET 80 N 0.68 0.13 0.36 1.57 -1.53 -1.28 0.35 114.93 115.20 1r6p h MET 80 Ca 0.18 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.41 1r6p h MET 80 Cb 0.07 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.10 1r6p h MET 80 CO -0.03 0.08 -0.17 1.98 0.14 0.00 0.00 176.91 178.91 1r6p h MET 81 N 0.13 -0.46 0.00 0.39 -1.53 -1.54 -3.14 114.93 108.77 1r6p h MET 81 Ca 0.64 0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.87 1r6p h MET 81 Cb 2.20 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 33.35 1r6p h MET 81 CO -0.15 -0.15 -0.31 -0.39 0.14 0.00 0.00 176.91 176.04 1r6p h VAL 82 N -0.82 1.04 -0.21 -5.77 -1.51 -1.16 -2.70 116.25 105.12 1r6p h VAL 82 Ca -0.05 -1.15 0.06 0.00 -1.23 0.00 0.00 66.70 64.33 1r6p h VAL 82 Cb 0.53 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.33 1r6p h VAL 82 CO 0.08 0.31 0.19 0.03 -1.23 0.00 0.00 177.57 176.95 1r6p h ARG 83 N 0.00 0.00 -0.03 5.19 2.47 -0.33 -0.58 114.38 121.09 1r6p h ARG 83 Ca -0.00 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.47 1r6p h ARG 83 Cb 0.63 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1r6p h ARG 83 CO 0.04 0.00 -0.96 0.00 0.56 0.00 0.00 179.97 179.62 1r6p h MET 85 N 0.37 -0.28 0.00 0.00 2.86 -1.25 -3.47 114.93 113.16 1r6p h MET 85 Ca -0.10 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1r6p h MET 85 Cb 1.60 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.32 1r6p h MET 85 CO 0.18 -0.19 0.00 1.17 1.06 0.00 0.00 176.91 179.14 1r6p n LYS 86 N -3.37 1.57 -2.63 1.72 4.81 -0.49 -4.92 118.16 114.85 1r6p n LYS 86 Ca -0.04 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.39 1r6p n LYS 86 Cb 0.11 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.17 1r6p n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1r6p n ASP 87 N -1.50 -7.45 -4.18 3.14 2.03 -1.26 -4.64 116.55 102.69 1r6p n ASP 87 Ca 0.00 1.11 -0.43 0.00 0.52 0.00 0.00 54.79 55.99 1r6p n ASP 87 Cb 0.00 -4.94 0.00 0.00 -0.72 0.00 0.00 41.12 35.46 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 0.41 5.09 -0.10 1.67 8.00 -1.26 -4.91 116.55 125.45 1r6p n ASP 88 Ca 0.03 -3.02 0.16 0.00 0.71 0.00 0.00 54.79 52.66 1r6p n ASP 88 Cb 0.10 -1.55 0.86 0.00 -0.02 0.00 0.00 41.12 40.51 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27