#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 -3.47 -0.08 6.12 5.03 -1.26 -4.94 115.26 116.67 1r6p n ASN 2 Ca 0.00 1.16 -0.22 0.00 0.87 0.00 0.00 54.58 56.39 1r6p n ASN 2 Cb 0.00 -4.60 -0.12 0.00 -1.02 0.00 0.00 39.78 34.04 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1r6p n ASP 3 N 1.05 1.99 0.11 6.41 2.03 -1.26 -3.81 116.55 123.06 1r6p n ASP 3 Ca -0.20 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1r6p n ASP 3 Cb 0.31 -0.81 0.30 0.00 -0.72 0.00 0.00 41.12 40.20 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1r6p h ILE 4 N -0.44 1.25 -0.40 5.18 -0.00 -1.95 0.21 117.51 121.36 1r6p h ILE 4 Ca -0.48 -1.19 -0.12 0.00 -0.00 0.00 0.00 64.86 63.07 1r6p h ILE 4 Cb 1.72 1.47 -0.01 0.00 -0.00 0.00 0.00 36.82 40.00 1r6p h ILE 4 CO -0.12 0.36 -0.24 1.88 -0.00 0.00 0.00 178.15 180.03 1r6p h TYR 5 N 0.21 0.94 0.10 0.16 0.05 -1.94 -1.51 116.97 114.97 1r6p h TYR 5 Ca 0.03 -0.22 -0.27 0.00 0.05 0.00 0.00 58.73 58.32 1r6p h TYR 5 Cb 0.61 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1r6p h TYR 5 CO 0.01 0.98 -1.29 -0.22 -1.05 0.00 0.00 178.16 176.59 1r6p h LYS 6 N 0.71 0.20 -0.19 4.88 1.63 -1.60 -2.93 116.57 119.27 1r6p h LYS 6 Ca 0.09 -0.35 -0.10 0.00 -0.85 0.00 0.00 60.65 59.44 1r6p h LYS 6 Cb 0.77 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 1r6p h LYS 6 CO 0.06 1.12 -0.31 0.00 -3.45 0.00 0.00 179.45 176.87 1r6p h ALA 7 N 0.65 1.10 0.11 5.00 0.00 -0.51 -2.01 119.26 123.60 1r6p h ALA 7 Ca -0.14 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.21 1r6p h ALA 7 Cb 1.95 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.65 1r6p h ALA 7 CO 0.17 0.56 -0.80 0.00 0.00 0.00 0.00 179.25 179.19 1r6p h ALA 8 N 1.33 -0.05 0.00 0.00 0.00 -1.37 -3.08 119.26 116.10 1r6p h ALA 8 Ca 0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.24 1r6p h ALA 8 Cb 0.72 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1r6p h ALA 8 CO 0.06 0.39 -0.18 -0.24 0.00 0.00 0.00 179.25 179.28 1r6p h VAL 9 N -0.25 0.77 0.00 0.00 3.04 -1.52 0.15 116.25 118.44 1r6p h VAL 9 Ca -0.13 -0.74 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1r6p h VAL 9 Cb 1.58 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 1r6p h VAL 9 CO 0.15 0.18 -0.20 1.05 -1.01 0.00 0.00 177.57 177.75 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.43 -3.33 114.58 118.10 1r6p h GLU 10 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 1r6p h GLU 10 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1r6p h GLU 10 CO 0.02 0.00 -0.29 0.00 0.07 0.00 0.00 179.01 178.82 1r6p n GLN 11 N -2.73 0.87 -1.65 1.06 10.64 -0.84 -5.08 117.38 119.64 1r6p n GLN 11 Ca 0.04 -2.20 -0.30 0.00 -1.83 0.00 0.00 57.00 52.71 1r6p n GLN 11 Cb 0.50 -1.13 0.18 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 -1.91 2.08 0.33 2.61 0.05 0.45 -5.01 118.68 117.28 1r6p s LEU 12 Ca 0.24 0.53 0.08 0.00 0.05 0.00 0.00 54.13 55.03 1r6p s LEU 12 Cb 0.22 -2.58 -0.03 0.00 -2.05 0.00 0.00 46.19 41.74 1r6p s LEU 12 CO -0.01 -2.97 0.22 0.42 -0.55 0.00 0.00 176.35 173.46 1r6p s THR 13 N -3.54 3.39 0.28 5.48 -4.23 -1.26 -5.02 115.64 110.74 1r6p s THR 13 Ca 0.70 -1.52 0.06 0.00 -1.18 0.00 0.00 61.69 59.76 1r6p s THR 13 Cb -0.08 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.67 1r6p s THR 13 CO 0.53 -0.20 1.66 0.44 -0.54 0.00 0.00 174.62 176.52 1r6p h ASP 14 N 1.40 0.23 0.20 3.99 3.32 -2.00 -2.69 116.42 120.87 1r6p h ASP 14 Ca -0.45 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 56.42 1r6p h ASP 14 Cb 1.25 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1r6p h ASP 14 CO 0.60 0.68 -0.29 -0.33 -1.72 0.00 0.00 179.24 178.18 1r6p h GLU 15 N 0.18 0.16 -0.01 3.56 3.07 -1.97 -0.32 114.58 119.25 1r6p h GLU 15 Ca 0.01 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1r6p h GLU 15 Cb 0.91 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1r6p h GLU 15 CO 0.07 0.44 -0.00 1.96 -1.40 0.00 0.00 179.01 180.08 1r6p h GLN 16 N 0.14 0.01 -0.53 2.33 4.20 -1.89 0.24 115.11 119.62 1r6p h GLN 16 Ca 0.02 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 1r6p h GLN 16 Cb 0.59 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1r6p h GLN 16 CO 0.04 0.32 0.13 0.87 -0.67 0.00 0.00 178.83 179.53 1r6p h LYS 17 N -0.30 0.84 -0.03 1.46 1.57 -1.40 -2.60 116.57 116.11 1r6p h LYS 17 Ca 0.00 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 1r6p h LYS 17 Cb 0.32 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1r6p h LYS 17 CO 0.00 0.80 -0.32 -0.91 -0.57 0.00 0.00 179.45 178.44 1r6p h ASN 18 N 0.74 0.06 -0.32 0.86 2.35 -1.01 -0.64 115.58 117.62 1r6p h ASN 18 Ca 0.17 -0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.95 1r6p h ASN 18 Cb 0.33 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.64 1r6p h ASN 18 CO 0.00 0.38 0.05 -0.08 -1.65 0.00 0.00 177.43 176.14 1r6p h GLU 19 N 0.05 0.16 0.02 0.81 4.81 -0.11 0.13 114.58 120.45 1r6p h GLU 19 Ca 0.00 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1r6p h GLU 19 Cb 0.60 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.95 1r6p h GLU 19 CO 0.04 0.11 -0.32 0.74 -0.73 0.00 0.00 179.01 178.85 1r6p h PHE 20 N 0.16 0.29 -0.99 0.92 -1.00 -1.47 -3.28 116.94 111.57 1r6p h PHE 20 Ca 0.15 -0.17 0.23 0.00 2.81 0.00 0.00 57.97 60.99 1r6p h PHE 20 Cb 0.17 -0.03 -0.09 0.00 3.61 0.00 0.00 35.95 39.62 1r6p h PHE 20 CO -0.19 1.02 0.64 -0.22 -1.61 0.00 0.00 178.31 177.95 1r6p h LYS 21 N -0.53 0.45 0.47 1.51 3.11 -0.97 0.58 116.57 121.21 1r6p h LYS 21 Ca -0.05 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 1r6p h LYS 21 Cb 1.12 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1r6p h LYS 21 CO 0.06 0.30 -0.23 0.00 -2.81 0.00 0.00 179.45 176.77 1r6p h ALA 22 N 1.62 -0.64 -0.46 5.00 0.00 -0.80 0.15 119.26 124.14 1r6p h ALA 22 Ca 0.55 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1r6p h ALA 22 Cb 1.29 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1r6p h ALA 22 CO -0.27 -0.84 -0.01 0.00 0.00 0.00 0.00 179.25 178.13 1r6p h ALA 23 N -0.16 1.12 -0.33 0.00 0.00 -1.28 -2.55 119.26 116.06 1r6p h ALA 23 Ca -0.07 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1r6p h ALA 23 Cb 0.51 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1r6p h ALA 23 CO 0.11 0.56 0.20 0.35 0.00 0.00 0.00 179.25 180.47 1r6p h PHE 24 N 0.71 0.37 -0.60 0.00 3.04 0.37 -1.07 116.94 119.77 1r6p h PHE 24 Ca 0.14 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.02 1r6p h PHE 24 Cb 0.45 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1r6p h PHE 24 CO 0.02 0.22 0.05 -0.44 -2.02 0.00 0.00 178.31 176.14 1r6p h ASP 25 N 0.41 0.97 0.08 0.41 5.19 -0.47 -0.80 116.42 122.20 1r6p h ASP 25 Ca 0.13 -0.24 -0.18 0.00 -0.62 0.00 0.00 57.03 56.11 1r6p h ASP 25 Cb -0.01 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.24 1r6p h ASP 25 CO -0.05 1.00 -0.67 0.16 -3.12 0.00 0.00 179.24 176.55 1r6p h ILE 26 N 0.93 1.33 0.01 0.35 3.07 -1.26 0.15 117.51 122.10 1r6p h ILE 26 Ca 0.18 -1.97 -0.22 0.00 1.55 0.00 0.00 64.86 64.40 1r6p h ILE 26 Cb 0.47 1.95 -0.00 0.00 -0.27 0.00 0.00 36.82 38.97 1r6p h ILE 26 CO 0.02 0.61 -0.95 -0.26 -1.05 0.00 0.00 178.15 176.51 1r6p h PHE 27 N 0.40 0.50 -0.30 0.16 0.04 -1.13 -3.17 116.94 113.43 1r6p h PHE 27 Ca -0.02 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.47 1r6p h PHE 27 Cb 1.25 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1r6p h PHE 27 CO 0.05 1.11 0.00 0.44 -0.60 0.00 0.00 178.31 179.32 1r6p n ILE 28 N -3.70 0.39 -0.35 -0.55 -6.64 -0.31 -4.38 119.36 103.82 1r6p n ILE 28 Ca -0.06 -0.56 0.14 0.00 -1.77 0.00 0.00 62.75 60.50 1r6p n ILE 28 Cb 0.85 0.63 0.33 0.00 -1.44 0.00 0.00 39.64 40.01 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 3.27 0.70 -0.59 6.28 4.15 -0.93 0.10 115.11 128.08 1r6p h GLN 29 Ca 0.00 -0.04 -0.25 0.00 0.77 0.00 0.00 58.65 59.13 1r6p h GLN 29 Cb 0.72 -0.16 -0.15 0.00 0.21 0.00 0.00 27.48 28.11 1r6p h GLN 29 CO 0.00 0.46 0.20 -0.40 -1.93 0.00 0.00 178.83 177.16 1r6p n ASP 30 N -4.80 3.56 -4.92 -0.69 5.75 -1.26 -4.99 116.55 109.20 1r6p n ASP 30 Ca 0.24 -3.50 -0.31 0.00 -0.01 0.00 0.00 54.79 51.22 1r6p n ASP 30 Cb 0.60 -0.70 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 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 -3.14 3.99 -0.52 2.12 0.00 0.35 -5.02 121.76 119.54 1r6p s ALA 31 Ca 0.50 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.65 1r6p s ALA 31 Cb 0.42 -1.85 0.42 0.00 0.00 0.00 0.00 23.12 22.12 1r6p s ALA 31 CO 0.07 0.79 1.49 0.39 0.00 0.00 0.00 175.76 178.50 1r6p n GLU 32 N 0.20 3.22 0.03 0.00 -0.58 -1.26 -4.62 120.64 117.63 1r6p n GLU 32 Ca -0.05 -3.98 0.00 0.00 -0.42 0.00 0.00 57.16 52.71 1r6p n GLU 32 Cb 0.51 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 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 -0.65 -0.42 0.00 1.62 2.03 -1.26 -5.07 116.55 112.80 1r6p n ASP 33 Ca 0.48 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.90 1r6p n ASP 33 Cb 0.67 0.72 0.00 0.00 -0.72 0.00 0.00 41.12 41.79 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 -0.69 1.00 3.21 0.27 0.00 -1.26 -5.14 105.19 102.57 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 -0.67 2.57 -0.49 0.00 -5.25 -0.77 -4.74 121.20 111.84 1r6p s ILE 36 Ca -0.08 0.18 -0.23 0.00 -0.99 0.00 0.00 60.65 59.54 1r6p s ILE 36 Cb -0.04 -3.18 0.04 0.00 2.95 0.00 0.00 42.46 42.22 1r6p s ILE 36 CO 0.02 -0.24 0.81 -0.55 -1.79 0.00 0.00 174.94 173.19 1r6p s SER 37 N -4.50 6.36 0.16 4.36 0.15 -1.26 -1.63 113.70 117.35 1r6p s SER 37 Ca 0.61 -0.30 -0.19 0.00 0.70 0.00 0.00 55.95 56.76 1r6p s SER 37 Cb -0.11 -2.39 0.08 0.00 -1.71 0.00 0.00 66.02 61.89 1r6p s SER 37 CO 0.50 -1.01 1.64 0.71 1.20 0.00 0.00 173.24 176.28 1r6p h THR 38 N 5.98 0.47 -0.14 6.45 1.35 -1.84 0.14 112.91 125.31 1r6p h THR 38 Ca -0.26 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.64 1r6p h THR 38 Cb 1.08 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 1r6p h THR 38 CO 1.00 0.00 0.13 0.07 -0.25 0.00 0.00 175.52 176.47 1r6p h LYS 39 N -0.12 0.00 -0.71 4.72 2.10 -1.92 -0.06 116.57 120.58 1r6p h LYS 39 Ca 0.18 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.55 1r6p h LYS 39 Cb 0.39 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.56 1r6p h LYS 39 CO -0.43 0.00 0.30 0.39 -2.00 0.00 0.00 179.45 177.71 1r6p n GLU 40 N -4.06 2.94 0.17 0.07 -0.58 0.39 -4.55 120.64 115.01 1r6p n GLU 40 Ca 0.00 -3.07 0.12 0.00 -0.42 0.00 0.00 57.16 53.80 1r6p n GLU 40 Cb 0.25 -2.11 0.60 0.00 -0.57 0.00 0.00 31.44 29.61 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 1.86 0.00 -1.26 -4.62 5.85 -0.09 -2.64 115.31 114.40 1r6p h LEU 41 Ca 0.34 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.18 1r6p h LEU 41 Cb 2.30 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 43.26 1r6p h LEU 41 CO 0.74 0.00 0.57 1.23 -0.34 0.00 0.00 178.44 180.64 1r6p h GLY 42 N 0.63 1.22 2.00 3.75 0.00 -1.83 0.44 103.07 109.28 1r6p h GLY 42 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1r6p h GLY 42 CO 0.00 0.14 -0.07 0.07 0.00 0.00 0.00 176.54 176.68 1r6p h LYS 43 N 0.77 0.00 0.00 4.80 2.10 -1.86 -1.39 116.57 120.98 1r6p h LYS 43 Ca 0.43 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.99 1r6p h LYS 43 Cb 0.57 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.89 1r6p h LYS 43 CO -0.19 0.07 -0.95 0.28 -2.00 0.00 0.00 179.45 176.66 1r6p n VAL 44 N -3.71 1.47 -0.20 0.07 0.31 0.76 -3.84 118.33 113.19 1r6p n VAL 44 Ca -0.02 0.10 -0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1r6p n VAL 44 Cb 0.17 -2.27 0.08 0.00 -0.91 0.00 0.00 33.84 30.90 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 -1.00 0.06 -0.30 5.55 2.86 -0.31 0.50 114.93 122.29 1r6p h MET 45 Ca -0.13 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1r6p h MET 45 Cb 0.87 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 1r6p h MET 45 CO -0.08 0.04 0.12 0.00 1.06 0.00 0.00 176.91 178.06 1r6p h ARG 46 N 0.07 0.41 -0.01 1.72 3.08 0.06 0.54 114.38 120.26 1r6p h ARG 46 Ca 0.30 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 60.11 1r6p h ARG 46 Cb 0.48 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1r6p h ARG 46 CO -0.55 0.35 -0.86 0.52 -1.07 0.00 0.00 179.97 178.36 1r6p h MET 47 N 0.42 0.23 0.00 0.04 2.86 -0.78 -3.17 114.93 114.52 1r6p h MET 47 Ca 0.11 -0.24 -0.14 0.00 -2.06 0.00 0.00 59.70 57.37 1r6p h MET 47 Cb 0.08 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1r6p h MET 47 CO -0.01 0.95 -0.67 -0.07 1.06 0.00 0.00 176.91 178.17 1r6p h LEU 48 N 0.13 0.00 0.00 1.22 4.07 0.78 -3.47 115.31 118.04 1r6p h LEU 48 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1r6p h LEU 48 Cb 1.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.21 1r6p h LEU 48 CO 0.13 0.67 0.00 0.61 -1.08 0.00 0.00 178.44 178.77 1r6p n GLY 49 N 0.42 1.59 2.95 0.83 0.00 0.15 -5.08 105.19 106.06 1r6p n GLY 49 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 0.76 -0.59 1.61 -1.52 0.17 -4.98 119.66 115.11 1r6p s GLN 50 Ca 0.00 -0.20 0.06 0.00 -1.95 0.00 0.00 55.36 53.27 1r6p s GLN 50 Cb 0.00 -0.74 0.22 0.00 -0.22 0.00 0.00 33.01 32.28 1r6p s GLN 50 CO 0.00 0.05 0.61 0.09 -0.25 0.00 0.00 175.29 175.79 1r6p n ASN 51 N 3.45 2.56 -2.29 5.90 3.02 -1.26 -1.10 115.26 125.53 1r6p n ASN 51 Ca -0.19 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.20 1r6p n ASN 51 Cb 0.54 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1r6p n PRO 52 N 1.37 1.33 -3.90 3.52 -0.04 -1.26 -5.10 135.00 130.92 1r6p n PRO 52 Ca 0.26 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.47 1r6p n PRO 52 Cb 0.42 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.35 1.97 0.18 0.52 -4.23 -1.26 -4.94 115.64 108.23 1r6p s THR 53 Ca 0.00 -1.52 0.14 0.00 -1.18 0.00 0.00 61.69 59.13 1r6p s THR 53 Cb 0.00 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.38 1r6p s THR 53 CO 0.00 0.00 1.61 1.55 -0.54 0.00 0.00 174.62 177.24 1r6p h PRO 54 N 0.96 0.00 0.17 3.99 0.13 -1.98 0.56 132.00 135.83 1r6p h PRO 54 Ca -0.39 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.43 1r6p h PRO 54 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.43 1r6p h PRO 54 CO 0.60 0.55 -1.41 0.93 -0.23 0.00 0.00 178.00 178.45 1r6p h GLU 55 N 0.00 0.37 -0.04 0.86 5.08 -1.99 -3.12 114.58 115.74 1r6p h GLU 55 Ca -0.01 -0.63 -0.14 0.00 -1.00 0.00 0.00 59.36 57.59 1r6p h GLU 55 Cb 1.11 0.23 0.01 0.00 0.50 0.00 0.00 28.75 30.60 1r6p h GLU 55 CO 0.07 1.29 -0.51 1.49 -1.00 0.00 0.00 179.01 180.35 1r6p h GLU 56 N 0.10 0.41 -0.66 2.33 4.81 -1.95 -3.09 114.58 116.54 1r6p h GLU 56 Ca -0.21 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1r6p h GLU 56 Cb 2.06 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 31.51 1r6p h GLU 56 CO 0.22 1.05 0.42 1.37 -0.73 0.00 0.00 179.01 181.34 1r6p h LEU 57 N -0.09 0.77 -1.10 1.64 8.10 -1.02 -1.79 115.31 121.83 1r6p h LEU 57 Ca -0.05 -0.03 -0.08 0.00 0.11 0.00 0.00 57.88 57.82 1r6p h LEU 57 Cb 1.20 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 41.21 1r6p h LEU 57 CO 0.10 0.57 -0.28 -0.61 -4.11 0.00 0.00 178.44 174.11 1r6p h GLN 58 N 0.90 0.28 0.08 0.17 5.75 -1.59 -2.41 115.11 118.29 1r6p h GLN 58 Ca 0.24 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 1r6p h GLN 58 Cb -0.07 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.46 1r6p h GLN 58 CO -0.05 0.55 -0.04 0.93 -2.65 0.00 0.00 178.83 177.57 1r6p h GLU 59 N 0.25 -0.10 0.00 1.69 5.08 -1.24 -0.66 114.58 119.61 1r6p h GLU 59 Ca 0.04 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1r6p h GLU 59 Cb 0.64 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1r6p h GLU 59 CO 0.05 0.11 -0.20 0.00 -1.00 0.00 0.00 179.01 177.97 1r6p h MET 60 N -0.31 0.00 -0.05 2.33 -0.00 -1.46 -1.97 114.93 113.47 1r6p h MET 60 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.67 1r6p h MET 60 Cb 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1r6p h MET 60 CO 0.02 0.20 -0.04 0.82 -0.00 0.00 0.00 176.91 177.91 1r6p h ILE 61 N 0.00 1.36 -0.34 -0.10 2.04 -1.19 -2.54 117.51 116.74 1r6p h ILE 61 Ca -0.00 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.75 1r6p h ILE 61 Cb 0.36 2.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1r6p h ILE 61 CO 0.03 0.31 0.23 0.44 0.00 0.00 0.00 178.15 179.15 1r6p h ASP 62 N -0.31 0.30 -0.29 1.72 3.32 -0.82 0.64 116.42 120.98 1r6p h ASP 62 Ca 0.01 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 1r6p h ASP 62 Cb 0.52 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 1r6p h ASP 62 CO 0.01 0.21 0.07 -0.33 -1.72 0.00 0.00 179.24 177.48 1r6p h GLU 63 N 0.35 0.46 0.02 3.56 5.08 -1.22 -3.11 114.58 119.73 1r6p h GLU 63 Ca 0.14 -0.11 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 1r6p h GLU 63 Cb 0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1r6p h GLU 63 CO -0.03 0.54 -0.99 -0.24 -1.00 0.00 0.00 179.01 177.29 1r6p h VAL 64 N 0.30 1.66 -2.91 3.13 3.04 -0.94 -3.43 116.25 117.11 1r6p h VAL 64 Ca 0.09 -3.24 -0.56 0.00 -1.01 0.00 0.00 66.70 61.98 1r6p h VAL 64 Cb 0.29 2.79 -0.05 0.00 -2.01 0.00 0.00 31.29 32.31 1r6p h VAL 64 CO 0.00 0.93 1.14 -0.62 -1.01 0.00 0.00 177.57 178.01 1r6p s ASP 65 N -6.78 6.09 0.11 3.17 -1.08 0.22 -4.87 116.67 113.52 1r6p s ASP 65 Ca 0.00 0.67 -0.18 0.00 -0.52 0.00 0.00 52.55 52.52 1r6p s ASP 65 Cb 0.10 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.96 1r6p s ASP 65 CO 0.82 -1.66 1.65 -0.33 0.52 0.00 0.00 175.17 176.17 1r6p h GLU 66 N 11.58 0.41 0.08 4.34 5.08 -1.83 -3.27 114.58 130.97 1r6p h GLU 66 Ca -0.28 -0.08 -0.33 0.00 -1.00 0.00 0.00 59.36 57.67 1r6p h GLU 66 Cb 1.12 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1r6p h GLU 66 CO 1.12 0.44 -1.83 0.38 -1.00 0.00 0.00 179.01 178.13 1r6p h ASP 67 N 0.29 0.25 -2.75 1.42 2.03 -1.93 -3.49 116.42 112.24 1r6p h ASP 67 Ca 0.09 -0.53 -0.09 0.00 -0.73 0.00 0.00 57.03 55.76 1r6p h ASP 67 Cb 0.19 -0.08 0.04 0.00 -0.83 0.00 0.00 39.33 38.65 1r6p h ASP 67 CO -0.01 1.47 -0.20 0.61 -1.03 0.00 0.00 179.24 180.09 1r6p n GLY 68 N 1.78 0.34 0.22 7.15 0.00 -1.23 -4.96 105.19 108.48 1r6p n GLY 68 Ca -0.24 -0.36 0.11 0.00 0.00 0.00 0.00 46.02 45.53 1r6p n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r6p h SER 69 N -0.58 0.00 0.00 1.61 4.64 -1.95 -3.47 113.55 113.81 1r6p h SER 69 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1r6p h SER 69 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1r6p h SER 69 CO 0.14 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 1r6p n GLY 70 N 0.56 1.20 2.91 -0.77 0.00 -1.26 -5.10 105.19 102.73 1r6p n GLY 70 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 -0.04 -0.18 2.61 -4.23 -1.26 -2.62 115.64 107.91 1r6p s THR 71 Ca 0.00 0.16 -0.25 0.00 -1.18 0.00 0.00 61.69 60.42 1r6p s THR 71 Cb 0.00 -0.21 -0.01 0.00 1.34 0.00 0.00 72.50 73.62 1r6p s THR 71 CO 0.00 0.07 0.82 -0.69 -0.54 0.00 0.00 174.62 174.28 1r6p s VAL 72 N 1.01 4.88 0.55 2.29 1.01 -0.64 -4.84 120.40 124.65 1r6p s VAL 72 Ca -0.08 1.60 -0.07 0.00 0.00 0.00 0.00 61.98 63.43 1r6p s VAL 72 Cb -0.10 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 1r6p s VAL 72 CO -0.05 0.02 0.88 -1.81 0.00 0.00 0.00 175.10 174.14 1r6p s ASP 73 N 1.18 6.04 0.47 3.32 1.11 -1.26 -1.85 116.67 125.68 1r6p s ASP 73 Ca 0.37 0.98 0.16 0.00 0.18 0.00 0.00 52.55 54.24 1r6p s ASP 73 Cb -0.16 -2.14 1.13 0.00 1.07 0.00 0.00 42.92 42.82 1r6p s ASP 73 CO 0.11 -0.80 2.02 0.15 1.18 0.00 0.00 175.17 177.84 1r6p h PHE 74 N -0.03 0.28 -0.29 4.23 3.57 -1.97 0.63 116.94 123.36 1r6p h PHE 74 Ca -0.46 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 60.96 1r6p h PHE 74 Cb 1.22 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1r6p h PHE 74 CO 0.57 0.14 -0.16 -0.44 -2.23 0.00 0.00 178.31 176.19 1r6p h ASP 75 N 0.27 0.64 0.58 0.41 3.32 -1.99 -1.78 116.42 117.87 1r6p h ASP 75 Ca 0.21 -0.42 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 1r6p h ASP 75 Cb 0.48 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1r6p h ASP 75 CO -0.04 0.92 -0.53 -0.33 -1.72 0.00 0.00 179.24 177.53 1r6p h GLU 76 N 0.37 0.00 0.17 3.56 5.08 -1.49 -1.05 114.58 121.21 1r6p h GLU 76 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1r6p h GLU 76 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1r6p h GLU 76 CO 0.05 0.53 -0.08 0.35 -1.00 0.00 0.00 179.01 178.86 1r6p h PHE 77 N 0.00 -0.21 -0.18 4.33 3.57 0.39 -1.42 116.94 123.42 1r6p h PHE 77 Ca -0.01 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.35 1r6p h PHE 77 Cb 0.97 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.77 1r6p h PHE 77 CO 0.00 0.05 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.59 1r6p h LEU 78 N -0.47 0.49 -0.28 0.59 4.07 -1.32 -3.11 115.31 115.28 1r6p h LEU 78 Ca -0.02 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1r6p h LEU 78 Cb 0.36 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 1r6p h LEU 78 CO 0.04 0.89 0.19 0.58 -1.08 0.00 0.00 178.44 179.05 1r6p h VAL 79 N 0.36 1.08 -1.03 1.22 2.07 -1.14 -1.71 116.25 117.10 1r6p h VAL 79 Ca 0.02 -0.15 0.30 0.00 0.82 0.00 0.00 66.70 67.69 1r6p h VAL 79 Cb 0.96 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1r6p h VAL 79 CO 0.08 0.07 0.81 -0.03 0.02 0.00 0.00 177.57 178.53 1r6p h MET 80 N 0.38 0.00 0.53 1.57 -1.53 -1.18 0.02 114.93 114.72 1r6p h MET 80 Ca 0.10 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.34 1r6p h MET 80 Cb -0.04 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.02 1r6p h MET 80 CO -0.02 0.00 -0.26 1.98 0.14 0.00 0.00 176.91 178.75 1r6p h MET 81 N 0.00 -0.69 0.00 0.39 -1.53 -1.38 -3.04 114.93 108.68 1r6p h MET 81 Ca 0.49 0.05 -0.04 0.00 -3.44 0.00 0.00 59.70 56.75 1r6p h MET 81 Cb 2.10 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 33.30 1r6p h MET 81 CO -0.01 -0.38 -0.20 -0.39 0.14 0.00 0.00 176.91 176.07 1r6p h VAL 82 N -0.96 0.86 -0.71 -5.77 -1.51 -1.19 -2.66 116.25 104.32 1r6p h VAL 82 Ca -0.07 -0.78 0.16 0.00 -1.23 0.00 0.00 66.70 64.78 1r6p h VAL 82 Cb 0.62 1.46 -0.04 0.00 -2.13 0.00 0.00 31.29 31.20 1r6p h VAL 82 CO 0.12 0.20 0.48 0.03 -1.23 0.00 0.00 177.57 177.17 1r6p h ARG 83 N 0.00 0.27 -0.50 5.19 3.08 -0.94 0.12 114.38 121.60 1r6p h ARG 83 Ca -0.00 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1r6p h ARG 83 Cb 0.44 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 1r6p h ARG 83 CO 0.03 0.18 0.33 0.00 -1.07 0.00 0.00 179.97 179.44 1r6p h MET 85 N 0.62 -0.09 -2.28 0.00 1.85 -0.97 -3.51 114.93 110.55 1r6p h MET 85 Ca 0.19 0.01 0.14 0.00 -0.61 0.00 0.00 59.70 59.43 1r6p h MET 85 Cb 0.00 0.02 -0.08 0.00 0.43 0.00 0.00 31.60 31.97 1r6p h MET 85 CO -0.05 0.38 -0.74 1.17 -0.40 0.00 0.00 176.91 177.28 1r6p n LYS 86 N -4.79 -2.30 -0.12 0.39 3.00 -0.81 -4.69 118.16 108.83 1r6p n LYS 86 Ca -0.06 1.85 -0.13 0.00 -0.00 0.00 0.00 58.31 59.97 1r6p n LYS 86 Cb 0.26 -2.50 -0.02 0.00 0.00 0.00 0.00 35.03 32.76 1r6p n LYS 86 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 1r6p h ASP 87 N -0.54 0.91 -0.53 3.14 2.03 -1.91 -3.45 116.42 116.06 1r6p h ASP 87 Ca -0.08 -0.44 0.22 0.00 -0.73 0.00 0.00 57.03 56.00 1r6p h ASP 87 Cb 0.78 -0.25 -0.24 0.00 -0.83 0.00 0.00 39.33 38.80 1r6p h ASP 87 CO 0.03 1.15 0.25 -0.62 -1.03 0.00 0.00 179.24 179.03 1r6p s ASP 88 N -6.67 -0.42 0.00 4.15 -1.08 -1.26 -5.02 116.67 106.37 1r6p s ASP 88 Ca -0.12 0.43 0.28 0.00 -0.52 0.00 0.00 52.55 52.63 1r6p s ASP 88 Cb 0.11 1.42 1.06 0.00 -1.46 0.00 0.00 42.92 44.05 1r6p s ASP 88 CO 0.86 -0.08 1.75 -0.24 0.52 0.00 0.00 175.17 177.98