#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 -3.49 0.08 7.83 5.03 -1.26 -4.91 115.26 118.55 1r6p n ASN 2 Ca 0.00 -0.83 0.12 0.00 0.87 0.00 0.00 54.58 54.74 1r6p n ASN 2 Cb 0.00 -4.23 0.11 0.00 -1.02 0.00 0.00 39.78 34.64 1r6p n ASN 2 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1r6p h ASP 3 N -1.70 0.00 -0.46 6.41 3.32 -2.07 -3.35 116.42 118.57 1r6p h ASP 3 Ca -0.62 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 56.34 1r6p h ASP 3 Cb 1.35 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.87 1r6p h ASP 3 CO 0.51 0.07 0.31 0.16 -1.72 0.00 0.00 179.24 178.56 1r6p h ILE 4 N 0.00 1.01 -0.05 0.35 -2.65 -2.02 -0.87 117.51 113.28 1r6p h ILE 4 Ca 0.00 -0.15 -0.15 0.00 1.03 0.00 0.00 64.86 65.59 1r6p h ILE 4 Cb 0.84 0.52 -0.01 0.00 -2.05 0.00 0.00 36.82 36.12 1r6p h ILE 4 CO 0.00 0.08 -0.62 1.88 0.03 0.00 0.00 178.15 179.52 1r6p h TYR 5 N 0.45 0.26 -0.41 0.16 0.05 -1.98 -3.02 116.97 112.48 1r6p h TYR 5 Ca 0.19 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1r6p h TYR 5 Cb 0.20 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 37.88 1r6p h TYR 5 CO -0.00 0.77 0.23 0.87 -1.05 0.00 0.00 178.16 178.98 1r6p h LYS 6 N 0.15 0.55 -0.06 4.88 6.56 -1.35 -1.16 116.57 126.13 1r6p h LYS 6 Ca -0.01 -0.05 -0.10 0.00 -1.06 0.00 0.00 60.65 59.43 1r6p h LYS 6 Cb 1.13 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 32.66 1r6p h LYS 6 CO 0.09 0.40 -0.44 0.00 -2.06 0.00 0.00 179.45 177.45 1r6p h ALA 7 N 1.69 1.15 -0.15 3.86 0.00 -1.38 -1.16 119.26 123.26 1r6p h ALA 7 Ca 0.15 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1r6p h ALA 7 Cb 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1r6p h ALA 7 CO -0.03 0.59 -0.12 0.00 0.00 0.00 0.00 179.25 179.69 1r6p h ALA 8 N 1.43 0.22 0.00 0.00 0.00 -1.24 -0.24 119.26 119.44 1r6p h ALA 8 Ca 0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1r6p h ALA 8 Cb 0.83 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1r6p h ALA 8 CO 0.06 0.08 -0.30 -0.24 0.00 0.00 0.00 179.25 178.86 1r6p h VAL 9 N 0.00 0.89 0.00 0.00 3.04 -1.35 -0.08 116.25 118.75 1r6p h VAL 9 Ca 0.03 -1.16 0.00 0.00 -1.01 0.00 0.00 66.70 64.56 1r6p h VAL 9 Cb 0.64 1.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1r6p h VAL 9 CO 0.03 0.29 -0.24 -0.33 -1.01 0.00 0.00 177.57 176.32 1r6p h GLU 10 N 0.00 0.00 -0.06 4.17 5.08 -1.04 -3.32 114.58 119.42 1r6p h GLU 10 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1r6p h GLU 10 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1r6p h GLU 10 CO 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.05 1r6p n GLN 11 N -2.68 2.39 -2.02 2.33 10.64 -0.12 -5.05 117.38 122.87 1r6p n GLN 11 Ca 0.04 -2.03 -0.29 0.00 -1.83 0.00 0.00 57.00 52.88 1r6p n GLN 11 Cb 0.49 -1.27 0.16 0.00 -0.86 0.00 0.00 30.24 28.77 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 -1.79 2.72 0.47 2.61 0.05 -0.09 -5.01 118.68 117.64 1r6p s LEU 12 Ca 0.17 0.27 0.00 0.00 0.05 0.00 0.00 54.13 54.62 1r6p s LEU 12 Cb 0.14 -2.43 0.00 0.00 -2.05 0.00 0.00 46.19 41.85 1r6p s LEU 12 CO 0.03 -2.47 0.70 0.42 -0.55 0.00 0.00 176.35 174.48 1r6p s THR 13 N -3.73 3.76 0.28 5.48 -4.23 -1.26 -5.00 115.64 110.94 1r6p s THR 13 Ca 0.71 -0.50 0.10 0.00 -1.18 0.00 0.00 61.69 60.82 1r6p s THR 13 Cb -0.05 -3.40 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1r6p s THR 13 CO 0.51 -0.28 1.64 0.44 -0.54 0.00 0.00 174.62 176.38 1r6p h ASP 14 N 0.32 0.03 -0.03 3.99 3.32 -2.00 -2.84 116.42 119.20 1r6p h ASP 14 Ca -0.45 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 1r6p h ASP 14 Cb 1.26 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1r6p h ASP 14 CO 0.56 0.60 -0.11 1.05 -1.72 0.00 0.00 179.24 179.63 1r6p h GLU 15 N 0.02 0.30 -0.21 3.56 4.11 -1.98 -0.49 114.58 119.89 1r6p h GLU 15 Ca -0.01 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.25 1r6p h GLU 15 Cb 1.03 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 1r6p h GLU 15 CO 0.08 0.42 -0.26 1.96 0.07 0.00 0.00 179.01 181.28 1r6p h GLN 16 N 0.29 0.55 -0.45 1.06 4.20 -1.91 0.04 115.11 118.90 1r6p h GLN 16 Ca 0.06 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 1r6p h GLN 16 Cb 0.37 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1r6p h GLN 16 CO 0.02 0.90 0.18 0.87 -0.67 0.00 0.00 178.83 180.14 1r6p h LYS 17 N 0.23 0.67 -0.23 1.46 1.57 -1.35 -2.64 116.57 116.27 1r6p h LYS 17 Ca 0.03 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 1r6p h LYS 17 Cb 0.83 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1r6p h LYS 17 CO 0.06 0.61 -0.27 -0.91 -0.57 0.00 0.00 179.45 178.37 1r6p h ASN 18 N 0.58 0.44 -0.18 0.86 2.35 -1.08 0.20 115.58 118.75 1r6p h ASN 18 Ca 0.15 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1r6p h ASN 18 Cb 0.19 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 1r6p h ASN 18 CO -0.01 0.70 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.30 1r6p h GLU 19 N 0.38 -0.07 0.18 0.81 4.81 -0.62 -0.72 114.58 119.35 1r6p h GLU 19 Ca 0.06 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.04 1r6p h GLU 19 Cb 0.67 0.01 0.03 0.00 0.63 0.00 0.00 28.75 30.09 1r6p h GLU 19 CO 0.05 -0.04 -1.10 0.74 -0.73 0.00 0.00 179.01 177.92 1r6p h PHE 20 N -0.07 0.69 -0.87 0.92 0.04 -1.43 -3.33 116.94 112.89 1r6p h PHE 20 Ca 0.10 -0.50 0.18 0.00 2.80 0.00 0.00 57.97 60.55 1r6p h PHE 20 Cb 0.22 -0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 1r6p h PHE 20 CO -0.24 1.42 0.57 -0.22 -0.60 0.00 0.00 178.31 179.25 1r6p h LYS 21 N -0.19 0.43 0.22 1.51 3.11 -0.51 0.27 116.57 121.41 1r6p h LYS 21 Ca -0.20 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 1r6p h LYS 21 Cb 1.84 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 32.95 1r6p h LYS 21 CO 0.19 0.28 -0.21 0.00 -2.81 0.00 0.00 179.45 176.90 1r6p h ALA 22 N 1.62 -0.43 -0.32 5.00 0.00 -1.23 0.20 119.26 124.10 1r6p h ALA 22 Ca 0.45 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 1r6p h ALA 22 Cb 1.05 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1r6p h ALA 22 CO -0.17 -0.77 -0.21 0.00 0.00 0.00 0.00 179.25 178.10 1r6p h ALA 23 N 0.27 1.04 -0.88 0.00 0.00 -1.42 -2.90 119.26 115.36 1r6p h ALA 23 Ca -0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1r6p h ALA 23 Cb 0.42 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1r6p h ALA 23 CO -0.04 0.58 0.57 0.35 0.00 0.00 0.00 179.25 180.71 1r6p h PHE 24 N 0.53 1.13 -0.64 0.00 3.04 0.03 0.63 116.94 121.66 1r6p h PHE 24 Ca 0.08 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.97 1r6p h PHE 24 Cb 0.66 -0.38 -0.03 0.00 2.56 0.00 0.00 35.95 38.77 1r6p h PHE 24 CO 0.03 0.72 0.10 0.22 -2.02 0.00 0.00 178.31 177.36 1r6p h ASP 25 N 1.20 1.00 0.30 0.41 1.82 -0.42 0.11 116.42 120.85 1r6p h ASP 25 Ca 0.32 -0.23 -0.28 0.00 -0.39 0.00 0.00 57.03 56.45 1r6p h ASP 25 Cb -0.11 -0.27 0.02 0.00 0.68 0.00 0.00 39.33 39.65 1r6p h ASP 25 CO -0.07 1.00 -1.17 0.16 -1.61 0.00 0.00 179.24 177.55 1r6p h ILE 26 N 0.99 1.36 0.02 2.25 3.07 -1.35 -3.17 117.51 120.67 1r6p h ILE 26 Ca 0.20 -2.60 -0.22 0.00 1.55 0.00 0.00 64.86 63.79 1r6p h ILE 26 Cb 0.43 2.69 -0.01 0.00 -0.27 0.00 0.00 36.82 39.66 1r6p h ILE 26 CO 0.01 0.78 -0.96 -0.26 -1.05 0.00 0.00 178.15 176.67 1r6p h PHE 27 N 0.22 0.39 -0.90 0.16 0.04 -0.84 -3.21 116.94 112.79 1r6p h PHE 27 Ca -0.15 -0.23 -0.60 0.00 2.80 0.00 0.00 57.97 59.79 1r6p h PHE 27 Cb 1.85 -0.04 -0.26 0.00 2.20 0.00 0.00 35.95 39.70 1r6p h PHE 27 CO 0.09 1.07 0.77 1.51 -0.60 0.00 0.00 178.31 181.15 1r6p n ILE 28 N -3.64 3.43 -0.07 -0.55 0.00 0.39 -4.48 119.36 114.44 1r6p n ILE 28 Ca -0.05 -2.59 -0.11 0.00 0.00 0.00 0.00 62.75 60.00 1r6p n ILE 28 Cb 0.86 -1.12 -0.10 0.00 0.00 0.00 0.00 39.64 39.27 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 1.80 0.00 -0.05 9.51 4.15 -1.55 -3.36 115.11 125.60 1r6p h GLN 29 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.97 1r6p h GLN 29 Cb 1.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1r6p h GLN 29 CO 1.40 0.79 0.00 -0.25 -1.93 0.00 0.00 178.83 178.84 1r6p n ASP 30 N -4.64 2.59 -4.85 -0.69 9.92 -1.26 -4.95 116.55 112.67 1r6p n ASP 30 Ca -0.08 -1.86 -0.32 0.00 -0.53 0.00 0.00 54.79 52.00 1r6p n ASP 30 Cb 0.38 -0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 40.80 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 -1.96 3.19 -0.22 2.24 0.00 -1.26 -5.00 121.76 118.75 1r6p s ALA 31 Ca 0.32 0.09 0.12 0.00 0.00 0.00 0.00 51.96 52.48 1r6p s ALA 31 Cb 0.20 -2.94 0.44 0.00 0.00 0.00 0.00 23.12 20.83 1r6p s ALA 31 CO 0.31 0.01 1.20 0.39 0.00 0.00 0.00 175.76 177.67 1r6p n GLU 32 N -1.08 2.16 -0.03 0.00 1.02 -1.26 -4.66 120.64 116.79 1r6p n GLU 32 Ca 0.05 -3.49 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 1r6p n GLU 32 Cb 0.54 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 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 -0.77 0.35 -3.83 1.62 9.92 -1.26 -5.02 116.55 117.56 1r6p n ASP 33 Ca 0.26 -1.24 -0.27 0.00 -0.53 0.00 0.00 54.79 53.00 1r6p n ASP 33 Cb 0.85 -0.02 0.03 0.00 -0.64 0.00 0.00 41.12 41.34 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 -0.10 -0.45 3.29 0.44 0.00 -1.26 -4.98 105.19 102.13 1r6p n GLY 34 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.07 2.15 -0.41 0.00 -5.25 0.34 -4.68 121.20 112.28 1r6p s ILE 36 Ca -0.11 -0.45 -0.20 0.00 -0.99 0.00 0.00 60.65 58.90 1r6p s ILE 36 Cb -0.04 -2.70 0.02 0.00 2.95 0.00 0.00 42.46 42.68 1r6p s ILE 36 CO 0.05 0.00 0.62 -0.55 -1.79 0.00 0.00 174.94 173.27 1r6p s SER 37 N -4.73 6.35 0.27 4.36 0.15 -1.26 -1.76 113.70 117.07 1r6p s SER 37 Ca 0.67 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 57.12 1r6p s SER 37 Cb -0.06 -2.31 0.48 0.00 -1.71 0.00 0.00 66.02 62.42 1r6p s SER 37 CO 0.46 -0.70 1.83 0.71 1.20 0.00 0.00 173.24 176.74 1r6p h THR 38 N 5.80 0.93 0.00 6.45 1.35 -1.82 0.22 112.91 125.84 1r6p h THR 38 Ca -0.26 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.27 1r6p h THR 38 Cb 1.10 -0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1r6p h THR 38 CO 0.86 0.17 -0.03 0.07 -0.25 0.00 0.00 175.52 176.35 1r6p h LYS 39 N 0.94 0.00 -0.66 4.72 2.10 -1.92 -0.43 116.57 121.32 1r6p h LYS 39 Ca 0.46 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.97 1r6p h LYS 39 Cb 0.41 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.66 1r6p h LYS 39 CO -0.25 0.03 0.17 0.39 -2.00 0.00 0.00 179.45 177.78 1r6p n GLU 40 N -4.31 3.99 -0.15 0.07 1.02 0.71 -4.54 120.64 117.43 1r6p n GLU 40 Ca -0.03 -3.11 0.12 0.00 -0.02 0.00 0.00 57.16 54.13 1r6p n GLU 40 Cb 0.11 -2.20 0.47 0.00 -0.02 0.00 0.00 31.44 29.79 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 2.97 0.45 -1.64 -4.62 7.12 -0.40 0.67 115.31 119.87 1r6p h LEU 41 Ca 0.17 0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.24 1r6p h LEU 41 Cb 2.17 -0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 42.20 1r6p h LEU 41 CO 0.63 0.26 0.31 1.23 -0.13 0.00 0.00 178.44 180.74 1r6p h GLY 42 N 0.49 0.55 2.00 3.75 0.00 -1.82 0.29 103.07 108.33 1r6p h GLY 42 Ca 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1r6p h GLY 42 CO -0.11 0.15 -0.21 0.50 0.00 0.00 0.00 176.54 176.87 1r6p h LYS 43 N 0.46 0.00 0.05 4.80 1.79 -1.21 -2.16 116.57 120.30 1r6p h LYS 43 Ca 0.20 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.34 1r6p h LYS 43 Cb 0.20 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.81 1r6p h LYS 43 CO -0.05 0.21 -1.90 1.33 -1.08 0.00 0.00 179.45 177.96 1r6p n VAL 44 N -3.82 1.67 -0.34 0.50 0.24 0.04 -3.87 118.33 112.75 1r6p n VAL 44 Ca -0.02 -0.73 0.02 0.00 -2.04 0.00 0.00 64.34 61.57 1r6p n VAL 44 Cb 0.31 -1.32 0.16 0.00 -1.47 0.00 0.00 33.84 31.52 1r6p n VAL 44 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1r6p h MET 45 N 0.03 1.04 -0.27 7.34 2.86 -0.29 0.12 114.93 125.76 1r6p h MET 45 Ca -0.37 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.16 1r6p h MET 45 Cb 2.03 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 33.44 1r6p h MET 45 CO 0.07 0.68 -0.03 0.07 1.06 0.00 0.00 176.91 178.77 1r6p h ARG 46 N 1.07 0.40 -0.06 1.72 0.11 -0.86 0.45 114.38 117.21 1r6p h ARG 46 Ca 0.40 -0.08 -0.18 0.00 0.10 0.00 0.00 59.98 60.22 1r6p h ARG 46 Cb 0.17 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1r6p h ARG 46 CO -0.17 0.45 -0.72 0.52 0.10 0.00 0.00 179.97 180.15 1r6p h MET 47 N 0.39 0.33 -0.01 0.08 2.86 -1.15 -3.09 114.93 114.34 1r6p h MET 47 Ca 0.09 -0.27 -0.13 0.00 -2.06 0.00 0.00 59.70 57.32 1r6p h MET 47 Cb 0.30 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1r6p h MET 47 CO 0.01 0.92 -0.61 -0.07 1.06 0.00 0.00 176.91 178.22 1r6p h LEU 48 N 0.23 0.05 0.00 1.22 -0.00 -0.14 -3.47 115.31 113.20 1r6p h LEU 48 Ca -0.03 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1r6p h LEU 48 Cb 1.29 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1r6p h LEU 48 CO 0.12 0.65 0.00 0.61 -0.00 0.00 0.00 178.44 179.82 1r6p n GLY 49 N 0.22 1.96 3.21 0.83 0.00 -0.09 -5.09 105.19 106.23 1r6p n GLY 49 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.13 0.95 -0.40 1.61 -1.52 0.14 -4.99 119.66 115.31 1r6p s GLN 50 Ca 0.00 -1.30 0.07 0.00 -1.95 0.00 0.00 55.36 52.18 1r6p s GLN 50 Cb 0.00 -0.58 0.24 0.00 -0.22 0.00 0.00 33.01 32.44 1r6p s GLN 50 CO 0.00 0.08 0.52 0.09 -0.25 0.00 0.00 175.29 175.73 1r6p n ASN 51 N 0.20 -0.21 -2.37 5.90 3.02 -1.26 -2.13 115.26 118.41 1r6p n ASN 51 Ca -0.13 -2.69 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 1r6p n ASN 51 Cb 0.59 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 1.66 1.35 -3.87 3.52 -0.04 -1.26 -5.12 135.00 131.24 1r6p n PRO 52 Ca 0.21 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.43 1r6p n PRO 52 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 0.36 2.08 0.15 0.52 -4.23 -1.26 -4.98 115.64 108.28 1r6p s THR 53 Ca 0.00 -1.51 0.16 0.00 -1.18 0.00 0.00 61.69 59.16 1r6p s THR 53 Cb 0.00 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.32 1r6p s THR 53 CO 0.00 0.00 1.64 1.55 -0.54 0.00 0.00 174.62 177.27 1r6p h PRO 54 N 1.00 0.00 0.15 3.99 0.13 -1.99 -1.61 132.00 133.67 1r6p h PRO 54 Ca -0.40 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.44 1r6p h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1r6p h PRO 54 CO 0.61 0.48 -1.34 0.93 -0.23 0.00 0.00 178.00 178.45 1r6p h GLU 55 N 0.00 0.32 0.03 0.86 5.08 -1.99 -2.90 114.58 115.98 1r6p h GLU 55 Ca -0.00 -0.54 -0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1r6p h GLU 55 Cb 1.06 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1r6p h GLU 55 CO 0.06 1.25 -0.01 1.49 -1.00 0.00 0.00 179.01 180.79 1r6p h GLU 56 N 0.09 -0.04 -0.62 2.33 4.81 -1.94 -2.88 114.58 116.33 1r6p h GLU 56 Ca -0.18 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1r6p h GLU 56 Cb 2.02 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 31.38 1r6p h GLU 56 CO 0.21 0.37 0.36 1.37 -0.73 0.00 0.00 179.01 180.60 1r6p h LEU 57 N -0.46 0.74 -1.22 1.64 8.10 -1.42 -2.07 115.31 120.61 1r6p h LEU 57 Ca -0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 1r6p h LEU 57 Cb 0.43 -0.19 -0.03 0.00 -0.44 0.00 0.00 40.66 40.43 1r6p h LEU 57 CO 0.01 0.58 0.40 -0.61 -4.11 0.00 0.00 178.44 174.71 1r6p h GLN 58 N 0.86 0.93 -0.75 0.17 5.75 -1.48 -0.39 115.11 120.20 1r6p h GLN 58 Ca 0.22 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 1r6p h GLN 58 Cb -0.02 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.30 1r6p h GLN 58 CO -0.04 0.66 0.37 0.93 -2.65 0.00 0.00 178.83 178.10 1r6p h GLU 59 N 0.95 1.06 -0.14 1.69 5.08 -1.15 0.15 114.58 122.22 1r6p h GLU 59 Ca 0.25 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.33 1r6p h GLU 59 Cb -0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1r6p h GLU 59 CO -0.04 0.81 -0.50 0.52 -1.00 0.00 0.00 179.01 178.80 1r6p h MET 60 N 1.06 0.38 -0.09 2.33 2.86 -1.17 -2.76 114.93 117.53 1r6p h MET 60 Ca 0.26 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1r6p h MET 60 Cb 0.09 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 1r6p h MET 60 CO -0.03 0.80 -0.09 0.82 1.06 0.00 0.00 176.91 179.46 1r6p h ILE 61 N 0.30 1.36 -0.87 -1.22 1.08 -0.32 -1.43 117.51 116.42 1r6p h ILE 61 Ca 0.01 -1.23 0.05 0.00 -0.39 0.00 0.00 64.86 63.30 1r6p h ILE 61 Cb 0.99 1.97 -0.06 0.00 -3.07 0.00 0.00 36.82 36.65 1r6p h ILE 61 CO 0.09 0.35 0.55 -0.78 -0.69 0.00 0.00 178.15 177.66 1r6p h ASP 62 N -0.19 0.88 0.01 1.72 3.58 -0.72 0.51 116.42 122.21 1r6p h ASP 62 Ca 0.02 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.23 1r6p h ASP 62 Cb 0.60 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.48 1r6p h ASP 62 CO 0.02 0.58 -0.91 1.05 -2.88 0.00 0.00 179.24 177.10 1r6p h GLU 63 N 1.02 0.68 0.09 0.28 4.11 -1.51 -3.32 114.58 115.93 1r6p h GLU 63 Ca 0.37 -0.65 -0.27 0.00 0.07 0.00 0.00 59.36 58.87 1r6p h GLU 63 Cb 0.11 0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.54 1r6p h GLU 63 CO -0.15 1.25 -1.17 -0.24 0.07 0.00 0.00 179.01 178.77 1r6p h VAL 64 N 0.42 1.37 -2.29 -1.06 3.04 -0.99 -3.41 116.25 113.32 1r6p h VAL 64 Ca -0.09 -2.61 -0.53 0.00 -1.01 0.00 0.00 66.70 62.45 1r6p h VAL 64 Cb 1.55 2.69 -0.07 0.00 -2.01 0.00 0.00 31.29 33.45 1r6p h VAL 64 CO 0.18 0.78 1.11 -0.62 -1.01 0.00 0.00 177.57 178.01 1r6p s ASP 65 N -7.26 6.02 0.43 3.17 -1.08 0.18 -4.85 116.67 113.26 1r6p s ASP 65 Ca -0.07 -0.33 0.09 0.00 -0.52 0.00 0.00 52.55 51.72 1r6p s ASP 65 Cb 0.07 -2.56 0.92 0.00 -1.46 0.00 0.00 42.92 39.90 1r6p s ASP 65 CO 0.90 -1.93 2.07 1.05 0.52 0.00 0.00 175.17 177.78 1r6p h GLU 66 N 10.83 0.46 0.02 4.34 4.11 -1.83 -2.99 114.58 129.52 1r6p h GLU 66 Ca -0.27 -0.03 -0.36 0.00 0.07 0.00 0.00 59.36 58.77 1r6p h GLU 66 Cb 1.07 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 1r6p h GLU 66 CO 1.27 0.31 -2.24 -0.40 0.07 0.00 0.00 179.01 178.02 1r6p n ASP 67 N -4.48 1.08 -1.81 3.06 5.75 -1.26 -5.03 116.55 113.86 1r6p n ASP 67 Ca 0.03 0.06 -0.06 0.00 -0.01 0.00 0.00 54.79 54.81 1r6p n ASP 67 Cb 0.08 0.10 0.03 0.00 -1.03 0.00 0.00 41.12 40.31 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 1.91 0.20 0.28 6.12 0.00 -1.13 -4.94 105.19 107.62 1r6p n GLY 68 Ca -0.34 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.52 0.86 -0.39 1.61 3.41 -1.26 -4.88 113.62 111.44 1r6p n SER 69 Ca -0.09 -1.57 -0.05 0.00 -0.26 0.00 0.00 58.87 56.91 1r6p n SER 69 Cb 0.55 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 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 0.77 3.00 5.00 0.00 -1.26 -5.01 105.19 108.66 1r6p n GLY 70 Ca 0.15 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.19 -0.04 -0.26 2.61 -4.23 -1.26 -2.45 115.64 107.82 1r6p s THR 71 Ca 0.00 0.15 -0.14 0.00 -1.18 0.00 0.00 61.69 60.53 1r6p s THR 71 Cb 0.00 -0.32 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1r6p s THR 71 CO 0.00 0.06 0.31 -0.69 -0.54 0.00 0.00 174.62 173.77 1r6p s VAL 72 N 1.16 5.22 0.76 2.29 1.01 -0.72 -4.82 120.40 125.30 1r6p s VAL 72 Ca -0.09 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 1r6p s VAL 72 Cb -0.10 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.69 1r6p s VAL 72 CO -0.07 0.20 1.12 -0.62 0.00 0.00 0.00 175.10 175.73 1r6p s ASP 73 N 1.57 4.86 0.44 3.32 2.15 -1.26 -0.50 116.67 127.25 1r6p s ASP 73 Ca 0.13 0.83 0.11 0.00 0.43 0.00 0.00 52.55 54.05 1r6p s ASP 73 Cb -0.16 -1.45 0.99 0.00 -0.30 0.00 0.00 42.92 42.01 1r6p s ASP 73 CO 0.10 -1.67 2.05 0.15 -0.17 0.00 0.00 175.17 175.63 1r6p h PHE 74 N -0.84 0.25 -0.22 -5.34 3.57 -1.99 0.66 116.94 113.02 1r6p h PHE 74 Ca -0.45 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 1r6p h PHE 74 Cb 1.30 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1r6p h PHE 74 CO 0.37 0.22 -0.07 -0.44 -2.23 0.00 0.00 178.31 176.16 1r6p h ASP 75 N 0.25 0.45 0.60 0.41 3.32 -1.94 -1.70 116.42 117.82 1r6p h ASP 75 Ca 0.06 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.64 1r6p h ASP 75 Cb 0.09 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1r6p h ASP 75 CO -0.00 0.73 -0.43 -0.33 -1.72 0.00 0.00 179.24 177.49 1r6p h GLU 76 N 0.17 0.00 0.21 3.56 5.08 -1.69 -1.06 114.58 120.85 1r6p h GLU 76 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1r6p h GLU 76 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1r6p h GLU 76 CO 0.03 0.43 -0.10 0.35 -1.00 0.00 0.00 179.01 178.72 1r6p h PHE 77 N 0.00 -0.26 0.00 4.33 3.57 0.54 -1.93 116.94 123.19 1r6p h PHE 77 Ca -0.00 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 1r6p h PHE 77 Cb 0.85 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1r6p h PHE 77 CO 0.00 0.03 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.56 1r6p h LEU 78 N -0.56 0.00 -0.11 0.59 4.07 -1.31 -3.15 115.31 114.84 1r6p h LEU 78 Ca -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.93 1r6p h LEU 78 Cb 0.41 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.15 1r6p h LEU 78 CO 0.05 0.48 0.05 0.58 -1.08 0.00 0.00 178.44 178.52 1r6p h VAL 79 N 0.00 1.12 -1.18 1.22 2.07 -1.11 -2.60 116.25 115.77 1r6p h VAL 79 Ca -0.00 -0.36 0.35 0.00 0.82 0.00 0.00 66.70 67.51 1r6p h VAL 79 Cb 0.96 1.16 -0.11 0.00 -1.52 0.00 0.00 31.29 31.78 1r6p h VAL 79 CO 0.06 0.11 0.76 -0.03 0.02 0.00 0.00 177.57 178.49 1r6p h MET 80 N 0.05 0.22 0.32 1.57 -1.53 -1.30 0.45 114.93 114.70 1r6p h MET 80 Ca 0.04 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.27 1r6p h MET 80 Cb 0.13 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.13 1r6p h MET 80 CO -0.00 0.15 -0.15 1.98 0.14 0.00 0.00 176.91 179.02 1r6p h MET 81 N 0.23 -0.41 -0.12 0.39 -1.53 -1.58 -3.26 114.93 108.65 1r6p h MET 81 Ca 0.71 0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.97 1r6p h MET 81 Cb 2.05 0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 33.19 1r6p h MET 81 CO -0.36 -0.09 -0.07 -0.39 0.14 0.00 0.00 176.91 176.14 1r6p h VAL 82 N -0.94 1.12 -1.01 -5.77 -1.51 -1.05 -2.53 116.25 104.56 1r6p h VAL 82 Ca -0.04 -0.52 0.24 0.00 -1.23 0.00 0.00 66.70 65.15 1r6p h VAL 82 Cb 0.51 1.11 -0.09 0.00 -2.13 0.00 0.00 31.29 30.69 1r6p h VAL 82 CO 0.07 0.16 0.64 0.03 -1.23 0.00 0.00 177.57 177.25 1r6p h ARG 83 N 0.17 0.45 0.16 5.19 3.08 -0.21 0.30 114.38 123.52 1r6p h ARG 83 Ca 0.04 -0.03 -0.34 0.00 0.07 0.00 0.00 59.98 59.72 1r6p h ARG 83 Cb 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1r6p h ARG 83 CO 0.01 0.30 -1.71 0.00 -1.07 0.00 0.00 179.97 177.50 1r6p h MET 85 N 0.00 -1.07 0.00 0.00 1.85 -1.00 -3.46 114.93 111.26 1r6p h MET 85 Ca -0.35 0.07 0.00 0.00 -0.61 0.00 0.00 59.70 58.81 1r6p h MET 85 Cb 2.01 0.24 0.00 0.00 0.43 0.00 0.00 31.60 34.28 1r6p h MET 85 CO 0.14 -0.71 0.00 0.36 -0.40 0.00 0.00 176.91 176.29 1r6p n LYS 86 N -5.11 1.42 -3.45 0.39 2.85 0.95 -4.70 118.16 110.50 1r6p n LYS 86 Ca -0.14 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 56.93 1r6p n LYS 86 Cb 0.44 0.00 0.08 0.00 -0.65 0.00 0.00 35.03 34.90 1r6p n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1r6p n ASP 87 N -1.34 -4.01 -0.13 -5.58 2.03 -1.26 -4.76 116.55 101.50 1r6p n ASP 87 Ca 0.00 -0.56 -0.27 0.00 0.52 0.00 0.00 54.79 54.48 1r6p n ASP 87 Cb 0.00 -4.89 -0.09 0.00 -0.72 0.00 0.00 41.12 35.42 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 -2.94 1.95 0.00 1.67 8.00 -1.26 -5.03 116.55 118.94 1r6p n ASP 88 Ca -0.14 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1r6p n ASP 88 Cb 0.61 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57