#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 3.20 0.14 7.83 3.02 -1.26 -4.56 115.26 123.64 1r6p n ASN 2 Ca 0.00 -3.38 0.13 0.00 -0.03 0.00 0.00 54.58 51.30 1r6p n ASN 2 Cb 0.00 -0.59 0.35 0.00 -0.61 0.00 0.00 39.78 38.93 1r6p n ASN 2 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1r6p h ASP 3 N 1.36 0.00 0.00 6.41 2.03 -2.05 -3.27 116.42 120.90 1r6p h ASP 3 Ca 0.12 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 56.37 1r6p h ASP 3 Cb 1.58 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.07 1r6p h ASP 3 CO 0.32 0.00 -0.15 0.16 -1.03 0.00 0.00 179.24 178.55 1r6p h ILE 4 N 0.00 1.20 -0.52 4.15 -0.00 -1.98 0.26 117.51 120.61 1r6p h ILE 4 Ca 0.00 -0.90 -0.09 0.00 -0.00 0.00 0.00 64.86 63.87 1r6p h ILE 4 Cb 0.78 1.23 -0.02 0.00 -0.00 0.00 0.00 36.82 38.81 1r6p h ILE 4 CO 0.00 0.28 -0.03 1.88 -0.00 0.00 0.00 178.15 180.28 1r6p h TYR 5 N 0.28 0.99 0.03 0.16 0.05 -1.93 -2.19 116.97 114.36 1r6p h TYR 5 Ca 0.05 -0.16 -0.26 0.00 0.05 0.00 0.00 58.73 58.41 1r6p h TYR 5 Cb 0.43 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 1r6p h TYR 5 CO 0.01 0.91 -1.36 0.87 -1.05 0.00 0.00 178.16 177.54 1r6p h LYS 6 N 0.84 0.06 -0.46 4.88 1.57 -1.67 -3.23 116.57 118.57 1r6p h LYS 6 Ca 0.15 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1r6p h LYS 6 Cb 0.54 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1r6p h LYS 6 CO 0.03 0.87 0.02 0.00 -0.57 0.00 0.00 179.45 179.80 1r6p h ALA 7 N 0.87 1.18 -0.16 3.86 0.00 -0.40 -1.21 119.26 123.41 1r6p h ALA 7 Ca -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 1r6p h ALA 7 Cb 1.91 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1r6p h ALA 7 CO 0.12 0.54 -0.42 0.00 0.00 0.00 0.00 179.25 179.49 1r6p h ALA 8 N 1.33 0.26 0.00 0.00 0.00 -1.51 -2.75 119.26 116.59 1r6p h ALA 8 Ca 0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1r6p h ALA 8 Cb 0.40 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1r6p h ALA 8 CO 0.01 0.38 -0.08 -0.24 0.00 0.00 0.00 179.25 179.32 1r6p h VAL 9 N 0.20 0.24 0.00 0.00 3.04 -1.54 0.26 116.25 118.45 1r6p h VAL 9 Ca -0.01 -0.58 -0.03 0.00 -1.01 0.00 0.00 66.70 65.06 1r6p h VAL 9 Cb 1.03 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.77 1r6p h VAL 9 CO 0.09 0.07 -0.33 -0.33 -1.01 0.00 0.00 177.57 176.06 1r6p h GLU 10 N 0.00 0.00 -0.19 4.17 5.08 -1.10 -3.34 114.58 119.19 1r6p h GLU 10 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1r6p h GLU 10 Cb 0.46 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.39 1r6p h GLU 10 CO 0.01 0.14 -0.92 0.00 -1.00 0.00 0.00 179.01 177.24 1r6p n GLN 11 N -3.06 1.20 -1.52 2.33 10.64 -0.86 -5.09 117.38 121.01 1r6p n GLN 11 Ca 0.02 -2.91 -0.29 0.00 -1.83 0.00 0.00 57.00 51.99 1r6p n GLN 11 Cb 0.60 -1.01 0.17 0.00 -0.86 0.00 0.00 30.24 29.13 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 -2.05 1.89 0.43 2.61 0.05 0.86 -4.98 118.68 117.50 1r6p s LEU 12 Ca 0.35 0.76 0.02 0.00 0.05 0.00 0.00 54.13 55.32 1r6p s LEU 12 Cb 0.37 -2.91 0.00 0.00 -2.05 0.00 0.00 46.19 41.60 1r6p s LEU 12 CO -0.09 -2.89 0.63 0.42 -0.55 0.00 0.00 176.35 173.86 1r6p s THR 13 N -3.35 3.79 0.34 5.48 -4.23 -1.26 -5.00 115.64 111.42 1r6p s THR 13 Ca 0.67 -0.68 0.10 0.00 -1.18 0.00 0.00 61.69 60.61 1r6p s THR 13 Cb -0.12 -3.37 0.08 0.00 1.34 0.00 0.00 72.50 70.43 1r6p s THR 13 CO 0.54 -0.22 1.79 -0.78 -0.54 0.00 0.00 174.62 175.40 1r6p h ASP 14 N 0.50 0.10 -0.53 3.99 3.58 -1.99 -2.58 116.42 119.48 1r6p h ASP 14 Ca -0.45 -0.04 0.02 0.00 0.42 0.00 0.00 57.03 56.98 1r6p h ASP 14 Cb 1.26 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.26 1r6p h ASP 14 CO 0.55 0.46 0.35 -0.33 -2.88 0.00 0.00 179.24 177.39 1r6p h GLU 15 N 0.08 0.64 -0.28 0.28 4.39 -1.98 -1.49 114.58 116.23 1r6p h GLU 15 Ca 0.01 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 1r6p h GLU 15 Cb 0.70 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1r6p h GLU 15 CO 0.05 0.42 -0.53 1.96 -1.16 0.00 0.00 179.01 179.75 1r6p h GLN 16 N 0.66 0.85 0.00 2.33 4.20 -1.86 0.40 115.11 121.69 1r6p h GLN 16 Ca 0.20 -0.54 0.00 0.00 0.06 0.00 0.00 58.65 58.37 1r6p h GLN 16 Cb 0.00 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1r6p h GLN 16 CO -0.05 1.18 0.00 0.87 -0.67 0.00 0.00 178.83 180.16 1r6p h LYS 17 N 0.63 0.00 0.00 1.46 1.79 -1.21 -3.03 116.57 116.21 1r6p h LYS 17 Ca 0.01 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.26 1r6p h LYS 17 Cb 1.14 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.75 1r6p h LYS 17 CO 0.12 0.00 -1.83 0.09 -1.08 0.00 0.00 179.45 176.75 1r6p n ASN 18 N -2.50 2.00 0.24 0.86 3.02 -0.65 -3.79 115.26 114.45 1r6p n ASN 18 Ca 0.01 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.40 1r6p n ASN 18 Cb 0.19 0.81 -0.08 0.00 -0.61 0.00 0.00 39.78 40.10 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 -0.59 0.09 3.52 4.81 -0.09 -1.20 114.58 121.12 1r6p h GLU 19 Ca -0.32 0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.67 1r6p h GLU 19 Cb 1.73 0.14 0.02 0.00 0.63 0.00 0.00 28.75 31.26 1r6p h GLU 19 CO 0.02 -0.40 -1.16 0.74 -0.73 0.00 0.00 179.01 177.48 1r6p h PHE 20 N -0.62 0.83 -0.48 0.92 -1.00 -1.79 -3.26 116.94 111.54 1r6p h PHE 20 Ca -0.04 -0.51 0.09 0.00 2.81 0.00 0.00 57.97 60.32 1r6p h PHE 20 Cb 0.51 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.97 1r6p h PHE 20 CO -0.09 1.36 0.33 -0.22 -1.61 0.00 0.00 178.31 178.07 1r6p h LYS 21 N 0.24 0.23 0.49 1.51 3.11 -1.64 0.39 116.57 120.90 1r6p h LYS 21 Ca -0.15 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.66 1r6p h LYS 21 Cb 1.83 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 33.01 1r6p h LYS 21 CO 0.21 0.15 -0.29 0.00 -2.81 0.00 0.00 179.45 176.71 1r6p h ALA 22 N 1.76 -0.75 -0.29 5.00 0.00 -1.26 0.30 119.26 124.03 1r6p h ALA 22 Ca 0.22 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1r6p h ALA 22 Cb 0.56 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1r6p h ALA 22 CO -0.04 -0.93 -0.28 0.00 0.00 0.00 0.00 179.25 178.00 1r6p h ALA 23 N -0.28 0.96 -0.79 0.00 0.00 -1.55 -2.88 119.26 114.73 1r6p h ALA 23 Ca -0.06 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.51 1r6p h ALA 23 Cb 0.60 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1r6p h ALA 23 CO 0.07 0.61 0.50 0.35 0.00 0.00 0.00 179.25 180.77 1r6p h PHE 24 N 0.52 0.93 -0.26 0.00 3.04 0.11 -0.80 116.94 120.48 1r6p h PHE 24 Ca 0.07 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.00 1r6p h PHE 24 Cb 0.75 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1r6p h PHE 24 CO 0.03 0.53 0.01 0.22 -2.02 0.00 0.00 178.31 177.08 1r6p h ASP 25 N 0.96 0.43 -0.50 0.41 1.82 -0.21 0.19 116.42 119.52 1r6p h ASP 25 Ca 0.32 -0.29 -0.09 0.00 -0.39 0.00 0.00 57.03 56.58 1r6p h ASP 25 Cb 0.03 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 39.90 1r6p h ASP 25 CO -0.12 0.62 -0.01 0.16 -1.61 0.00 0.00 179.24 178.28 1r6p h ILE 26 N 0.23 1.26 0.02 2.25 3.07 -1.30 -1.85 117.51 121.18 1r6p h ILE 26 Ca 0.07 -1.11 -0.20 0.00 1.55 0.00 0.00 64.86 65.18 1r6p h ILE 26 Cb 0.39 0.85 -0.02 0.00 -0.27 0.00 0.00 36.82 37.77 1r6p h ILE 26 CO 0.01 0.40 -0.94 -0.26 -1.05 0.00 0.00 178.15 176.31 1r6p h PHE 27 N 0.86 0.14 -0.97 0.16 0.04 -1.11 -3.21 116.94 112.84 1r6p h PHE 27 Ca 0.16 -0.09 -0.60 0.00 2.80 0.00 0.00 57.97 60.24 1r6p h PHE 27 Cb 0.52 -0.01 -0.30 0.00 2.20 0.00 0.00 35.95 38.37 1r6p h PHE 27 CO 0.03 0.97 0.72 1.51 -0.60 0.00 0.00 178.31 180.94 1r6p n ILE 28 N -3.53 3.42 -0.05 -0.55 0.00 0.65 -4.53 119.36 114.78 1r6p n ILE 28 Ca -0.02 -2.60 -0.10 0.00 0.00 0.00 0.00 62.75 60.03 1r6p n ILE 28 Cb 0.86 -0.88 -0.09 0.00 0.00 0.00 0.00 39.64 39.53 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1r6p h GLN 29 N 1.61 -0.03 -0.01 9.51 5.75 -1.34 -3.32 115.11 127.28 1r6p h GLN 29 Ca 0.60 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.10 1r6p h GLN 29 Cb 1.61 0.01 0.00 0.00 1.07 0.00 0.00 27.48 30.17 1r6p h GLN 29 CO 1.36 0.61 -0.01 -0.25 -2.65 0.00 0.00 178.83 177.89 1r6p n ASP 30 N -4.71 0.76 -4.93 -0.69 9.92 -1.26 -4.86 116.55 110.78 1r6p n ASP 30 Ca -0.07 -1.19 -0.28 0.00 -0.53 0.00 0.00 54.79 52.72 1r6p n ASP 30 Cb 0.32 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 40.75 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 -2.05 3.89 -0.28 2.24 0.00 -1.25 -5.03 121.76 119.28 1r6p s ALA 31 Ca 0.41 -0.84 0.17 0.00 0.00 0.00 0.00 51.96 51.70 1r6p s ALA 31 Cb 0.21 -1.93 0.49 0.00 0.00 0.00 0.00 23.12 21.89 1r6p s ALA 31 CO 0.37 0.57 1.13 0.39 0.00 0.00 0.00 175.76 178.22 1r6p n GLU 32 N -0.35 2.41 -0.01 0.00 1.02 -1.26 -4.79 120.64 117.66 1r6p n GLU 32 Ca -0.05 -3.76 -0.02 0.00 -0.02 0.00 0.00 57.16 53.32 1r6p n GLU 32 Cb 0.53 -1.85 -0.01 0.00 -0.02 0.00 0.00 31.44 30.09 1r6p n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1r6p n ASP 33 N -0.61 3.91 0.00 1.62 8.00 -1.26 -5.06 116.55 123.15 1r6p n ASP 33 Ca 0.21 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1r6p n ASP 33 Cb 0.86 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 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 3.33 1.04 3.57 0.44 0.00 -1.26 -5.13 105.19 107.17 1r6p n GLY 34 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.55 2.24 -0.41 0.00 -5.25 0.03 -4.75 121.20 112.51 1r6p s ILE 36 Ca -0.06 -0.35 -0.20 0.00 -0.99 0.00 0.00 60.65 59.04 1r6p s ILE 36 Cb -0.02 -2.89 0.02 0.00 2.95 0.00 0.00 42.46 42.52 1r6p s ILE 36 CO 0.06 0.00 0.63 -0.55 -1.79 0.00 0.00 174.94 173.29 1r6p s SER 37 N -4.62 6.35 0.25 4.36 0.15 -1.26 -1.69 113.70 117.24 1r6p s SER 37 Ca 0.63 -0.20 -0.03 0.00 0.70 0.00 0.00 55.95 57.06 1r6p s SER 37 Cb -0.08 -2.32 0.49 0.00 -1.71 0.00 0.00 66.02 62.40 1r6p s SER 37 CO 0.45 -0.71 1.75 0.71 1.20 0.00 0.00 173.24 176.64 1r6p h THR 38 N 5.81 0.70 0.00 6.45 1.35 -1.83 0.30 112.91 125.69 1r6p h THR 38 Ca -0.26 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.40 1r6p h THR 38 Cb 1.10 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1r6p h THR 38 CO 0.87 0.10 -0.08 0.07 -0.25 0.00 0.00 175.52 176.23 1r6p h LYS 39 N 0.55 0.00 -0.64 4.72 2.10 -1.92 -0.89 116.57 120.48 1r6p h LYS 39 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1r6p h LYS 39 Cb 0.63 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.96 1r6p h LYS 39 CO -0.37 0.08 0.00 0.39 -2.00 0.00 0.00 179.45 177.55 1r6p n GLU 40 N -4.00 4.05 0.07 0.07 1.02 0.97 -4.33 120.64 118.48 1r6p n GLU 40 Ca -0.03 -2.86 0.10 0.00 -0.02 0.00 0.00 57.16 54.36 1r6p n GLU 40 Cb 0.17 -2.01 0.42 0.00 -0.02 0.00 0.00 31.44 30.00 1r6p n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1r6p n LEU 41 N 0.91 0.36 -0.15 -4.62 0.00 -0.34 -2.86 117.00 110.30 1r6p n LEU 41 Ca 0.26 0.58 0.07 0.00 0.00 0.00 0.00 56.01 56.92 1r6p n LEU 41 Cb 0.97 -0.52 0.39 0.00 0.00 0.00 0.00 43.42 44.26 1r6p n LEU 41 CO 0.26 -0.36 1.21 1.23 0.00 0.00 0.00 177.39 179.73 1r6p h GLY 42 N 2.75 0.85 2.00 -3.96 0.00 -1.79 0.22 103.07 103.14 1r6p h GLY 42 Ca 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 1r6p h GLY 42 CO 0.00 0.20 -0.23 0.50 0.00 0.00 0.00 176.54 177.01 1r6p h LYS 43 N 0.67 0.00 0.06 4.80 1.79 -1.89 -2.69 116.57 119.30 1r6p h LYS 43 Ca 0.29 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1r6p h LYS 43 Cb 0.29 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1r6p h LYS 43 CO -0.09 0.23 -0.03 0.28 -1.08 0.00 0.00 179.45 178.76 1r6p h VAL 44 N 0.00 1.19 -0.84 0.50 2.07 -0.80 -2.94 116.25 115.43 1r6p h VAL 44 Ca -0.00 -1.58 0.09 0.00 0.82 0.00 0.00 66.70 66.02 1r6p h VAL 44 Cb 0.87 2.12 -0.07 0.00 -1.52 0.00 0.00 31.29 32.69 1r6p h VAL 44 CO 0.03 0.35 0.50 -0.03 0.02 0.00 0.00 177.57 178.44 1r6p h MET 45 N -0.88 0.82 -0.63 1.57 -1.53 -1.09 0.25 114.93 113.45 1r6p h MET 45 Ca -0.01 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.20 1r6p h MET 45 Cb 0.64 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.47 1r6p h MET 45 CO 0.01 0.54 0.37 0.00 0.14 0.00 0.00 176.91 177.97 1r6p h ARG 46 N 0.84 0.85 -0.00 0.39 3.08 -0.70 0.41 114.38 119.25 1r6p h ARG 46 Ca 0.40 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.19 1r6p h ARG 46 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1r6p h ARG 46 CO -0.23 0.61 -0.83 0.52 -1.07 0.00 0.00 179.97 178.96 1r6p h MET 47 N 0.87 0.14 -0.01 0.04 2.86 -0.89 -3.17 114.93 114.77 1r6p h MET 47 Ca 0.23 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.59 1r6p h MET 47 Cb -0.02 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1r6p h MET 47 CO -0.04 0.89 -0.61 -0.07 1.06 0.00 0.00 176.91 178.14 1r6p h LEU 48 N 0.08 0.05 0.00 1.22 4.07 0.34 -3.47 115.31 117.60 1r6p h LEU 48 Ca -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1r6p h LEU 48 Cb 1.44 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.17 1r6p h LEU 48 CO 0.12 0.65 0.00 0.61 -1.08 0.00 0.00 178.44 178.74 1r6p n GLY 49 N 0.22 0.92 3.03 0.83 0.00 0.04 -5.08 105.19 105.15 1r6p n GLY 49 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 0.64 -0.62 1.61 -0.21 0.12 -4.99 119.66 116.22 1r6p s GLN 50 Ca 0.00 -0.41 0.06 0.00 0.02 0.00 0.00 55.36 55.03 1r6p s GLN 50 Cb 0.00 -0.60 0.21 0.00 1.00 0.00 0.00 33.01 33.63 1r6p s GLN 50 CO 0.00 0.16 0.59 0.27 -2.12 0.00 0.00 175.29 174.18 1r6p n ASN 51 N 2.55 2.68 -2.51 5.90 6.94 -1.26 -0.96 115.26 128.59 1r6p n ASN 51 Ca -0.15 -3.17 0.00 0.00 -0.02 0.00 0.00 54.58 51.24 1r6p n ASN 51 Cb 0.57 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 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 1.54 1.23 -3.80 -0.53 -0.04 -1.26 -5.08 135.00 127.06 1r6p n PRO 52 Ca 0.25 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 1r6p n PRO 52 Cb 0.41 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 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 2.37 0.18 0.52 -4.23 -1.26 -4.96 115.64 108.51 1r6p s THR 53 Ca 0.00 -1.48 0.17 0.00 -1.18 0.00 0.00 61.69 59.20 1r6p s THR 53 Cb 0.00 -2.85 0.10 0.00 1.34 0.00 0.00 72.50 71.09 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 1.10 0.00 0.10 3.99 0.13 -1.98 0.12 132.00 135.47 1r6p h PRO 54 Ca -0.41 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.45 1r6p h PRO 54 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1r6p h PRO 54 CO 0.61 0.42 -1.26 0.93 -0.23 0.00 0.00 178.00 178.48 1r6p h GLU 55 N 0.00 0.22 0.08 0.86 4.39 -2.00 -3.05 114.58 115.08 1r6p h GLU 55 Ca -0.00 -0.38 -0.13 0.00 0.34 0.00 0.00 59.36 59.19 1r6p h GLU 55 Cb 0.95 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1r6p h GLU 55 CO 0.06 1.15 -0.55 0.93 -1.16 0.00 0.00 179.01 179.44 1r6p h GLU 56 N 0.06 0.24 -0.50 2.33 5.08 -1.94 -3.24 114.58 116.62 1r6p h GLU 56 Ca -0.14 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 57.84 1r6p h GLU 56 Cb 1.95 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.30 1r6p h GLU 56 CO 0.18 1.14 0.22 1.37 -1.00 0.00 0.00 179.01 180.92 1r6p h LEU 57 N -0.48 0.63 -1.17 1.33 8.10 -1.12 -2.20 115.31 120.42 1r6p h LEU 57 Ca -0.09 -0.06 -0.05 0.00 0.11 0.00 0.00 57.88 57.79 1r6p h LEU 57 Cb 1.39 -0.16 -0.02 0.00 -0.44 0.00 0.00 40.66 41.43 1r6p h LEU 57 CO 0.11 0.56 0.03 -0.61 -4.11 0.00 0.00 178.44 174.41 1r6p h GLN 58 N 0.70 0.61 0.18 0.17 5.75 -1.64 -2.20 115.11 118.68 1r6p h GLN 58 Ca 0.17 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1r6p h GLN 58 Cb 0.10 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.57 1r6p h GLN 58 CO -0.02 0.61 -0.09 0.93 -2.65 0.00 0.00 178.83 177.61 1r6p h GLU 59 N 0.58 -0.23 0.00 1.69 4.39 -1.42 -1.17 114.58 118.42 1r6p h GLU 59 Ca 0.13 0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1r6p h GLU 59 Cb 0.33 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1r6p h GLU 59 CO 0.01 -0.05 -0.17 0.00 -1.16 0.00 0.00 179.01 177.64 1r6p h MET 60 N -0.36 0.00 0.03 2.33 -0.00 -1.42 -1.70 114.93 113.80 1r6p h MET 60 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1r6p h MET 60 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 1r6p h MET 60 CO 0.04 0.17 -0.01 0.82 -0.00 0.00 0.00 176.91 177.92 1r6p h ILE 61 N 0.00 1.34 -0.18 -0.10 2.04 -1.13 -2.05 117.51 117.43 1r6p h ILE 61 Ca -0.00 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 1r6p h ILE 61 Cb 0.32 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 1r6p h ILE 61 CO 0.02 0.30 0.09 0.44 0.00 0.00 0.00 178.15 179.00 1r6p h ASP 62 N -0.55 0.21 -0.03 1.72 3.32 -1.00 0.32 116.42 120.41 1r6p h ASP 62 Ca -0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1r6p h ASP 62 Cb 0.51 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1r6p h ASP 62 CO 0.01 0.17 -0.01 -0.33 -1.72 0.00 0.00 179.24 177.36 1r6p h GLU 63 N 0.24 0.06 0.00 3.56 5.08 -1.23 -3.17 114.58 119.12 1r6p h GLU 63 Ca 0.06 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1r6p h GLU 63 Cb 0.01 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1r6p h GLU 63 CO -0.01 0.41 -0.62 -0.24 -1.00 0.00 0.00 179.01 177.54 1r6p h VAL 64 N -0.29 1.39 -2.28 3.13 3.04 -0.95 -3.41 116.25 116.89 1r6p h VAL 64 Ca 0.01 -2.18 -0.53 0.00 -1.01 0.00 0.00 66.70 62.99 1r6p h VAL 64 Cb 0.39 2.19 -0.06 0.00 -2.01 0.00 0.00 31.29 31.80 1r6p h VAL 64 CO 0.00 0.61 1.16 -0.62 -1.01 0.00 0.00 177.57 177.72 1r6p s ASP 65 N -6.77 5.86 0.31 3.17 2.15 0.11 -4.86 116.67 116.64 1r6p s ASP 65 Ca -0.01 -0.12 0.01 0.00 0.43 0.00 0.00 52.55 52.86 1r6p s ASP 65 Cb 0.12 -2.55 0.56 0.00 -0.30 0.00 0.00 42.92 40.75 1r6p s ASP 65 CO 0.76 -2.01 1.92 1.05 -0.17 0.00 0.00 175.17 176.72 1r6p h GLU 66 N 11.76 0.97 0.08 4.34 4.11 -1.81 -2.92 114.58 131.10 1r6p h GLU 66 Ca -0.27 -0.06 -0.34 0.00 0.07 0.00 0.00 59.36 58.76 1r6p h GLU 66 Cb 1.09 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1r6p h GLU 66 CO 1.25 0.64 -1.92 -0.40 0.07 0.00 0.00 179.01 178.65 1r6p n ASP 67 N -4.49 1.68 -2.00 3.06 5.75 -1.26 -5.01 116.55 114.28 1r6p n ASP 67 Ca 0.13 0.27 -0.07 0.00 -0.01 0.00 0.00 54.79 55.10 1r6p n ASP 67 Cb 0.20 -0.56 0.04 0.00 -1.03 0.00 0.00 41.12 39.76 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 1.85 0.13 0.52 6.12 0.00 -1.11 -4.94 105.19 107.76 1r6p n GLY 68 Ca -0.27 -0.24 0.09 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 -1.75 1.53 -0.23 1.61 3.41 -1.26 -4.89 113.62 112.04 1r6p n SER 69 Ca -0.11 -1.78 -0.03 0.00 -0.26 0.00 0.00 58.87 56.69 1r6p n SER 69 Cb 0.57 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.37 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 1.06 0.62 3.08 5.00 0.00 -1.26 -5.02 105.19 108.67 1r6p n GLY 70 Ca 0.14 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.10 -0.02 -0.31 2.61 -4.23 -1.26 -2.53 115.64 107.80 1r6p s THR 71 Ca 0.00 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 1r6p s THR 71 Cb 0.00 -0.35 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 1r6p s THR 71 CO 0.00 0.03 0.23 -0.69 -0.54 0.00 0.00 174.62 173.65 1r6p s VAL 72 N 0.69 5.29 0.72 2.29 1.01 -0.68 -4.85 120.40 124.86 1r6p s VAL 72 Ca -0.05 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 1r6p s VAL 72 Cb -0.06 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1r6p s VAL 72 CO -0.04 0.12 1.07 -1.81 0.00 0.00 0.00 175.10 174.44 1r6p s ASP 73 N 1.74 5.01 0.46 3.32 1.01 -1.26 -0.79 116.67 126.15 1r6p s ASP 73 Ca 0.07 0.79 0.11 0.00 0.71 0.00 0.00 52.55 54.23 1r6p s ASP 73 Cb -0.17 -1.48 1.04 0.00 1.01 0.00 0.00 42.92 43.32 1r6p s ASP 73 CO 0.11 -1.55 2.10 0.15 0.21 0.00 0.00 175.17 176.19 1r6p h PHE 74 N -0.70 0.29 -0.34 4.23 3.57 -1.99 0.73 116.94 122.74 1r6p h PHE 74 Ca -0.45 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 60.95 1r6p h PHE 74 Cb 1.29 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1r6p h PHE 74 CO 0.39 0.19 -0.21 0.22 -2.23 0.00 0.00 178.31 176.66 1r6p h ASP 75 N 0.31 0.77 0.77 0.41 1.82 -1.95 -1.19 116.42 117.37 1r6p h ASP 75 Ca 0.08 -0.43 -0.11 0.00 -0.39 0.00 0.00 57.03 56.19 1r6p h ASP 75 Cb -0.03 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 39.75 1r6p h ASP 75 CO -0.02 1.03 -0.52 -0.33 -1.61 0.00 0.00 179.24 177.79 1r6p h GLU 76 N 0.51 0.00 0.09 0.28 5.08 -1.65 -1.88 114.58 117.01 1r6p h GLU 76 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1r6p h GLU 76 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1r6p h GLU 76 CO 0.06 0.52 -0.05 0.35 -1.00 0.00 0.00 179.01 178.90 1r6p h PHE 77 N 0.00 -0.12 0.00 4.33 3.57 0.67 -2.75 116.94 122.64 1r6p h PHE 77 Ca -0.01 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1r6p h PHE 77 Cb 1.05 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.81 1r6p h PHE 77 CO 0.00 0.25 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.79 1r6p h LEU 78 N -0.51 0.00 -0.21 0.59 4.07 -1.25 -3.10 115.31 114.89 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 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1r6p h LEU 78 CO 0.02 0.47 0.14 0.58 -1.08 0.00 0.00 178.44 178.57 1r6p h VAL 79 N 0.00 1.06 -1.24 1.22 2.07 -1.31 -2.04 116.25 116.01 1r6p h VAL 79 Ca -0.00 -0.13 0.36 0.00 0.82 0.00 0.00 66.70 67.74 1r6p h VAL 79 Cb 0.91 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 1r6p h VAL 79 CO 0.06 0.06 0.86 -0.03 0.02 0.00 0.00 177.57 178.55 1r6p h MET 80 N 0.28 0.10 0.53 1.57 -1.53 -1.40 0.23 114.93 114.70 1r6p h MET 80 Ca 0.08 -0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.30 1r6p h MET 80 Cb -0.02 -0.02 0.01 0.00 -0.55 0.00 0.00 31.60 31.01 1r6p h MET 80 CO -0.02 0.07 -0.25 1.98 0.14 0.00 0.00 176.91 178.83 1r6p h MET 81 N 0.11 -0.68 -0.13 0.39 -1.53 -1.48 -2.42 114.93 109.18 1r6p h MET 81 Ca 0.64 0.05 -0.05 0.00 -3.44 0.00 0.00 59.70 56.89 1r6p h MET 81 Cb 2.26 0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 33.45 1r6p h MET 81 CO -0.13 -0.37 -0.15 -0.39 0.14 0.00 0.00 176.91 176.01 1r6p h VAL 82 N -0.97 1.18 -0.81 -5.77 -1.51 -1.15 -2.19 116.25 105.04 1r6p h VAL 82 Ca -0.07 -0.82 0.01 0.00 -1.23 0.00 0.00 66.70 64.59 1r6p h VAL 82 Cb 0.62 1.25 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 1r6p h VAL 82 CO 0.12 0.25 0.54 0.03 -1.23 0.00 0.00 177.57 177.28 1r6p h ARG 83 N 0.20 1.05 0.02 5.19 3.08 -0.55 0.19 114.38 123.57 1r6p h ARG 83 Ca 0.04 -0.06 -0.25 0.00 0.07 0.00 0.00 59.98 59.78 1r6p h ARG 83 Cb 0.40 -0.24 0.02 0.00 0.08 0.00 0.00 29.97 30.23 1r6p h ARG 83 CO 0.02 0.70 -0.99 0.00 -1.07 0.00 0.00 179.97 178.63 1r6p h MET 85 N 0.27 -0.19 -3.60 0.00 4.05 -1.03 -3.45 114.93 110.98 1r6p h MET 85 Ca -0.13 0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.05 1r6p h MET 85 Cb 1.66 0.04 -0.30 0.00 -0.80 0.00 0.00 31.60 32.20 1r6p h MET 85 CO 0.19 0.06 -0.71 0.21 0.23 0.00 0.00 176.91 176.89 1r6p s LYS 86 N -5.24 -0.00 0.00 0.39 2.36 0.65 -4.97 119.74 112.93 1r6p s LYS 86 Ca -0.15 0.10 0.00 0.00 -2.55 0.00 0.00 55.97 53.38 1r6p s LYS 86 Cb 0.04 -0.10 0.00 0.00 -1.05 0.00 0.00 37.83 36.71 1r6p s LYS 86 CO 0.63 -0.07 0.00 -0.40 1.55 0.00 0.00 175.35 177.05 1r6p n ASP 87 N 3.56 0.00 -0.02 1.43 5.75 -1.26 -4.08 116.55 121.94 1r6p n ASP 87 Ca -0.19 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.53 1r6p n ASP 87 Cb 0.56 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 1r6p n ASP 87 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1r6p n ASP 88 N -0.65 1.32 -0.37 -1.12 9.92 -1.26 -5.16 116.55 119.22 1r6p n ASP 88 Ca 0.00 0.20 0.05 0.00 -0.53 0.00 0.00 54.79 54.51 1r6p n ASP 88 Cb 0.00 -0.47 0.04 0.00 -0.64 0.00 0.00 41.12 40.05 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09