#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 1.63 -1.32 6.12 3.02 -1.26 -4.74 115.26 118.71 1r6p n ASN 2 Ca 0.00 -3.50 0.05 0.00 -0.03 0.00 0.00 54.58 51.09 1r6p n ASN 2 Cb 0.00 -0.48 0.25 0.00 -0.61 0.00 0.00 39.78 38.94 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1r6p n ASP 3 N -0.88 3.81 0.17 6.41 5.75 -1.26 -4.24 116.55 126.32 1r6p n ASP 3 Ca 0.16 -2.52 0.02 0.00 -0.01 0.00 0.00 54.79 52.44 1r6p n ASP 3 Cb 0.76 -0.59 0.32 0.00 -1.03 0.00 0.00 41.12 40.58 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 2.50 1.30 -0.29 2.12 -0.00 -1.99 -0.17 117.51 120.99 1r6p h ILE 4 Ca 0.00 -1.43 -0.12 0.00 -0.00 0.00 0.00 64.86 63.31 1r6p h ILE 4 Cb 1.35 1.77 -0.01 0.00 -0.00 0.00 0.00 36.82 39.92 1r6p h ILE 4 CO 0.28 0.41 -0.32 1.88 -0.00 0.00 0.00 178.15 180.39 1r6p h TYR 5 N 0.01 0.71 0.00 0.16 0.05 -2.00 -2.76 116.97 113.13 1r6p h TYR 5 Ca -0.00 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.59 1r6p h TYR 5 Cb 0.74 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1r6p h TYR 5 CO 0.00 0.86 -0.41 0.87 -1.05 0.00 0.00 178.16 178.43 1r6p h LYS 6 N 0.52 0.00 0.00 4.88 1.57 -1.78 -3.26 116.57 118.49 1r6p h LYS 6 Ca 0.06 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1r6p h LYS 6 Cb 0.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 1r6p h LYS 6 CO 0.07 0.00 -0.38 0.00 -0.57 0.00 0.00 179.45 178.57 1r6p h ALA 7 N 2.20 1.07 0.11 3.86 0.00 -0.74 -2.49 119.26 123.27 1r6p h ALA 7 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 1r6p h ALA 7 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1r6p h ALA 7 CO 0.00 0.47 -1.04 0.00 0.00 0.00 0.00 179.25 178.69 1r6p h ALA 8 N 1.62 0.06 0.00 0.00 0.00 -1.60 -3.24 119.26 116.11 1r6p h ALA 8 Ca -0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1r6p h ALA 8 Cb 0.83 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1r6p h ALA 8 CO 0.05 0.57 -0.07 -0.24 0.00 0.00 0.00 179.25 179.56 1r6p h VAL 9 N -0.45 0.63 0.00 0.00 3.04 -1.60 -0.42 116.25 117.46 1r6p h VAL 9 Ca -0.22 -0.28 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1r6p h VAL 9 Cb 1.61 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 32.07 1r6p h VAL 9 CO 0.07 0.07 -0.16 1.05 -1.01 0.00 0.00 177.57 177.59 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.11 -1.55 -3.31 114.58 118.01 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 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1r6p h GLU 10 CO 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 179.01 179.09 1r6p n GLN 11 N -2.48 1.86 -2.06 1.06 10.64 -0.37 -5.06 117.38 120.96 1r6p n GLN 11 Ca 0.04 -2.20 -0.29 0.00 -1.83 0.00 0.00 57.00 52.73 1r6p n GLN 11 Cb 0.46 -1.32 0.18 0.00 -0.86 0.00 0.00 30.24 28.71 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 -2.21 2.78 0.56 2.61 0.05 -0.31 -5.04 118.68 117.12 1r6p s LEU 12 Ca 0.21 0.07 -0.04 0.00 0.05 0.00 0.00 54.13 54.42 1r6p s LEU 12 Cb 0.18 -2.10 0.01 0.00 -2.05 0.00 0.00 46.19 42.24 1r6p s LEU 12 CO 0.02 -2.69 0.84 0.42 -0.55 0.00 0.00 176.35 174.39 1r6p s THR 13 N -3.80 3.46 0.33 5.48 -4.23 -1.26 -4.99 115.64 110.63 1r6p s THR 13 Ca 0.74 -0.24 0.09 0.00 -1.18 0.00 0.00 61.69 61.10 1r6p s THR 13 Cb -0.03 -3.35 0.07 0.00 1.34 0.00 0.00 72.50 70.53 1r6p s THR 13 CO 0.52 -0.32 1.77 0.44 -0.54 0.00 0.00 174.62 176.48 1r6p h ASP 14 N -0.05 0.17 0.35 3.99 3.32 -2.00 -2.41 116.42 119.79 1r6p h ASP 14 Ca -0.45 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.44 1r6p h ASP 14 Cb 1.27 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 1r6p h ASP 14 CO 0.59 0.53 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.90 1r6p h GLU 15 N 0.15 0.08 -0.28 3.56 3.07 -1.98 -1.19 114.58 117.98 1r6p h GLU 15 Ca 0.02 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.74 1r6p h GLU 15 Cb 0.71 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1r6p h GLU 15 CO 0.05 0.48 -0.20 0.37 -1.40 0.00 0.00 179.01 178.31 1r6p h GLN 16 N 0.07 0.64 -0.42 2.33 4.15 -1.83 0.12 115.11 120.17 1r6p h GLN 16 Ca 0.00 -0.31 -0.05 0.00 0.77 0.00 0.00 58.65 59.06 1r6p h GLN 16 Cb 0.75 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1r6p h GLN 16 CO 0.06 0.90 0.05 0.87 -1.93 0.00 0.00 178.83 178.78 1r6p h LYS 17 N 0.38 0.71 0.00 1.69 1.57 -1.32 -2.66 116.57 116.94 1r6p h LYS 17 Ca 0.05 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 1r6p h LYS 17 Cb 0.75 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1r6p h LYS 17 CO 0.05 0.76 -0.30 -0.91 -0.57 0.00 0.00 179.45 178.48 1r6p h ASN 18 N 0.56 0.00 -0.02 0.86 2.35 -1.17 -0.99 115.58 117.17 1r6p h ASN 18 Ca 0.13 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1r6p h ASN 18 Cb 0.41 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1r6p h ASN 18 CO 0.01 0.30 -0.13 -0.08 -1.65 0.00 0.00 177.43 175.89 1r6p h GLU 19 N 0.00 -0.20 0.11 0.81 4.57 -0.39 0.16 114.58 119.64 1r6p h GLU 19 Ca -0.00 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 1r6p h GLU 19 Cb 0.69 0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1r6p h GLU 19 CO 0.04 -0.13 -0.66 0.74 -1.18 0.00 0.00 179.01 177.82 1r6p h PHE 20 N -0.21 0.45 -0.97 0.92 -1.00 -1.52 -3.28 116.94 111.33 1r6p h PHE 20 Ca 0.05 -0.32 0.14 0.00 2.81 0.00 0.00 57.97 60.65 1r6p h PHE 20 Cb 0.28 -0.02 -0.08 0.00 3.61 0.00 0.00 35.95 39.73 1r6p h PHE 20 CO -0.20 1.24 0.61 -0.22 -1.61 0.00 0.00 178.31 178.14 1r6p h LYS 21 N -0.47 0.85 0.09 1.51 3.11 -1.15 0.44 116.57 120.96 1r6p h LYS 21 Ca -0.11 -0.05 -0.00 0.00 -2.81 0.00 0.00 60.65 57.67 1r6p h LYS 21 Cb 1.51 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 1r6p h LYS 21 CO 0.12 0.56 -0.04 0.00 -2.81 0.00 0.00 179.45 177.28 1r6p h ALA 22 N 1.57 -0.12 -0.28 5.00 0.00 -0.78 0.68 119.26 125.33 1r6p h ALA 22 Ca 0.50 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 1r6p h ALA 22 Cb 0.62 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1r6p h ALA 22 CO -0.27 -0.56 -0.12 0.00 0.00 0.00 0.00 179.25 178.30 1r6p h ALA 23 N 0.77 1.28 -0.34 0.00 0.00 -1.39 -2.64 119.26 116.94 1r6p h ALA 23 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1r6p h ALA 23 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1r6p h ALA 23 CO 0.02 0.48 0.21 0.35 0.00 0.00 0.00 179.25 180.31 1r6p h PHE 24 N 0.43 0.45 -0.70 0.00 3.04 0.41 0.50 116.94 121.07 1r6p h PHE 24 Ca 0.08 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1r6p h PHE 24 Cb 0.47 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1r6p h PHE 24 CO 0.01 0.32 0.38 0.22 -2.02 0.00 0.00 178.31 177.23 1r6p h ASP 25 N 0.45 0.88 0.01 0.41 1.82 -0.56 0.29 116.42 119.72 1r6p h ASP 25 Ca 0.12 -0.10 -0.21 0.00 -0.39 0.00 0.00 57.03 56.46 1r6p h ASP 25 Cb -0.00 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 39.79 1r6p h ASP 25 CO -0.02 0.72 -0.77 0.16 -1.61 0.00 0.00 179.24 177.72 1r6p h ILE 26 N 0.96 1.32 -0.05 2.25 3.07 -1.28 -1.22 117.51 122.56 1r6p h ILE 26 Ca 0.25 -2.05 -0.22 0.00 1.55 0.00 0.00 64.86 64.39 1r6p h ILE 26 Cb 0.04 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.63 1r6p h ILE 26 CO -0.04 0.64 -0.87 -0.26 -1.05 0.00 0.00 178.15 176.57 1r6p h PHE 27 N 0.44 0.73 -0.92 0.16 0.04 -0.76 -3.26 116.94 113.36 1r6p h PHE 27 Ca -0.05 -0.36 -0.62 0.00 2.80 0.00 0.00 57.97 59.74 1r6p h PHE 27 Cb 1.38 -0.10 -0.36 0.00 2.20 0.00 0.00 35.95 39.07 1r6p h PHE 27 CO 0.07 1.17 0.04 1.51 -0.60 0.00 0.00 178.31 180.50 1r6p n ILE 28 N -3.82 3.08 -0.10 -0.55 0.13 0.10 -4.78 119.36 113.43 1r6p n ILE 28 Ca -0.07 -3.63 -0.07 0.00 -1.10 0.00 0.00 62.75 57.89 1r6p n ILE 28 Cb 0.79 -1.16 -0.00 0.00 -0.84 0.00 0.00 39.64 38.43 1r6p n ILE 28 CO 0.00 0.00 0.00 -0.61 2.80 0.00 0.00 176.55 178.74 1r6p h GLN 29 N 2.13 -0.18 -1.56 9.51 4.15 -1.26 -0.63 115.11 127.26 1r6p h GLN 29 Ca 0.49 0.01 -0.60 0.00 0.77 0.00 0.00 58.65 59.32 1r6p h GLN 29 Cb 1.14 0.04 -0.23 0.00 0.21 0.00 0.00 27.48 28.63 1r6p h GLN 29 CO 1.18 -0.12 0.75 -3.47 -1.93 0.00 0.00 178.83 175.24 1r6p n ASP 30 N -5.39 7.20 -4.56 -0.69 2.03 -1.26 -5.01 116.55 108.87 1r6p n ASP 30 Ca 0.01 -3.55 -0.39 0.00 0.52 0.00 0.00 54.79 51.38 1r6p n ASP 30 Cb 0.30 -1.07 0.03 0.00 -0.72 0.00 0.00 41.12 39.67 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r6p n ALA 31 N -0.24 -0.28 -0.81 -1.67 0.00 -0.25 -4.94 120.51 112.33 1r6p n ALA 31 Ca 0.51 0.07 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1r6p n ALA 31 Cb 0.51 -2.00 0.01 0.00 0.00 0.00 0.00 19.45 17.96 1r6p n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1r6p n GLU 32 N -0.34 0.89 0.00 0.00 0.28 -1.26 -4.90 120.64 115.31 1r6p n GLU 32 Ca 0.12 -0.91 0.00 0.00 -0.16 0.00 0.00 57.16 56.20 1r6p n GLU 32 Cb 0.45 -0.68 0.00 0.00 1.43 0.00 0.00 31.44 32.63 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 -0.20 0.00 0.00 -1.84 8.00 -1.26 -5.06 116.55 116.19 1r6p n ASP 33 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1r6p n ASP 33 Cb 0.45 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 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 -1.18 1.29 3.08 0.44 0.00 -1.26 -5.15 105.19 102.41 1r6p n GLY 34 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.01 2.12 -0.36 0.00 -5.25 -0.25 -4.78 121.20 112.66 1r6p s ILE 36 Ca -0.01 -0.28 -0.20 0.00 -0.99 0.00 0.00 60.65 59.17 1r6p s ILE 36 Cb -0.02 -2.84 0.00 0.00 2.95 0.00 0.00 42.46 42.56 1r6p s ILE 36 CO 0.00 0.00 0.59 -0.55 -1.79 0.00 0.00 174.94 173.19 1r6p s SER 37 N -4.74 6.38 0.46 4.36 0.15 -1.26 -1.81 113.70 117.24 1r6p s SER 37 Ca 0.68 0.07 0.16 0.00 0.70 0.00 0.00 55.95 57.55 1r6p s SER 37 Cb -0.06 -2.30 1.11 0.00 -1.71 0.00 0.00 66.02 63.06 1r6p s SER 37 CO 0.48 -0.56 2.01 0.71 1.20 0.00 0.00 173.24 177.08 1r6p h THR 38 N 5.66 0.89 -0.03 6.45 1.35 -1.82 0.23 112.91 125.64 1r6p h THR 38 Ca -0.27 -0.10 -0.08 0.00 -0.55 0.00 0.00 66.41 65.41 1r6p h THR 38 Cb 1.11 0.56 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1r6p h THR 38 CO 0.81 0.05 -0.34 0.11 -0.25 0.00 0.00 175.52 175.91 1r6p h LYS 39 N 0.30 0.05 -0.24 4.72 1.79 -1.92 -2.03 116.57 119.24 1r6p h LYS 39 Ca 0.24 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1r6p h LYS 39 Cb 0.53 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1r6p h LYS 39 CO -0.05 0.39 0.00 0.39 -1.08 0.00 0.00 179.45 179.10 1r6p n GLU 40 N -4.12 1.66 0.33 3.15 1.02 0.78 -4.15 120.64 119.31 1r6p n GLU 40 Ca -0.02 -1.01 0.21 0.00 -0.02 0.00 0.00 57.16 56.32 1r6p n GLU 40 Cb 0.39 -1.28 1.10 0.00 -0.02 0.00 0.00 31.44 31.63 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 1.76 0.00 -1.92 -4.62 7.12 -1.02 -1.25 115.31 115.38 1r6p h LEU 41 Ca 0.00 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.06 1r6p h LEU 41 Cb 0.40 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.51 1r6p h LEU 41 CO 0.00 0.00 0.17 1.23 -0.13 0.00 0.00 178.44 179.71 1r6p h GLY 42 N 0.00 0.12 1.62 3.75 0.00 -1.82 0.41 103.07 107.16 1r6p h GLY 42 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1r6p h GLY 42 CO -0.00 0.03 -0.28 0.28 0.00 0.00 0.00 176.54 176.58 1r6p n LYS 43 N -4.48 0.27 -0.07 4.80 4.76 -0.47 -3.95 118.16 119.02 1r6p n LYS 43 Ca 0.02 0.16 -0.22 0.00 -2.87 0.00 0.00 58.31 55.40 1r6p n LYS 43 Cb 0.25 -1.75 -0.12 0.00 -1.84 0.00 0.00 35.03 31.57 1r6p n LYS 43 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1r6p n VAL 44 N -2.18 1.63 -0.34 -0.18 0.31 0.39 -4.15 118.33 113.81 1r6p n VAL 44 Ca 0.05 -0.47 0.18 0.00 -0.01 0.00 0.00 64.34 64.09 1r6p n VAL 44 Cb 0.43 -1.74 0.41 0.00 -0.91 0.00 0.00 33.84 32.03 1r6p n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r6p h MET 45 N -0.31 0.53 -0.12 5.55 -0.00 -0.45 0.50 114.93 120.63 1r6p h MET 45 Ca -0.48 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.70 59.10 1r6p h MET 45 Cb 1.80 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 33.26 1r6p h MET 45 CO -0.09 0.35 -0.32 0.07 -0.00 0.00 0.00 176.91 176.93 1r6p h ARG 46 N 0.55 0.23 -0.01 -0.10 0.11 -1.61 0.90 114.38 114.46 1r6p h ARG 46 Ca 0.62 -0.09 -0.18 0.00 0.10 0.00 0.00 59.98 60.43 1r6p h ARG 46 Cb 1.26 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 1r6p h ARG 46 CO -0.40 0.54 -0.82 0.52 0.10 0.00 0.00 179.97 179.90 1r6p h MET 47 N 0.21 0.14 -0.03 0.08 2.86 -0.26 -3.13 114.93 114.80 1r6p h MET 47 Ca 0.03 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.41 1r6p h MET 47 Cb 0.68 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1r6p h MET 47 CO 0.05 0.88 -0.50 -0.07 1.06 0.00 0.00 176.91 178.33 1r6p h LEU 48 N 0.08 0.08 0.00 1.22 4.07 -0.61 -3.47 115.31 116.68 1r6p h LEU 48 Ca -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1r6p h LEU 48 Cb 1.42 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 43.14 1r6p h LEU 48 CO 0.12 0.57 0.00 0.61 -1.08 0.00 0.00 178.44 178.66 1r6p n GLY 49 N -0.05 1.95 3.24 0.83 0.00 -0.83 -5.10 105.19 105.23 1r6p n GLY 49 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.02 1.09 -0.38 1.61 1.11 0.25 -5.02 119.66 118.30 1r6p s GLN 50 Ca 0.00 -1.51 0.12 0.00 0.01 0.00 0.00 55.36 53.98 1r6p s GLN 50 Cb 0.00 -0.37 0.36 0.00 -1.01 0.00 0.00 33.01 32.00 1r6p s GLN 50 CO 0.00 -0.07 0.84 -1.71 0.01 0.00 0.00 175.29 174.36 1r6p n ASN 51 N -0.23 0.36 -2.92 5.90 2.85 -1.26 -2.53 115.26 117.42 1r6p n ASN 51 Ca -0.08 -3.05 0.00 0.00 -0.11 0.00 0.00 54.58 51.34 1r6p n ASN 51 Cb 0.62 -0.17 0.00 0.00 1.24 0.00 0.00 39.78 41.47 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r6p n PRO 52 N 0.22 0.90 -3.38 1.20 -0.04 -1.26 -5.11 135.00 127.52 1r6p n PRO 52 Ca 0.19 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.44 1r6p n PRO 52 Cb 0.69 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.15 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 -0.10 2.49 0.18 0.52 -4.23 -1.26 -4.96 115.64 108.28 1r6p s THR 53 Ca 0.00 -1.22 0.18 0.00 -1.18 0.00 0.00 61.69 59.46 1r6p s THR 53 Cb 0.00 -2.71 0.11 0.00 1.34 0.00 0.00 72.50 71.24 1r6p s THR 53 CO 0.00 0.00 1.71 1.55 -0.54 0.00 0.00 174.62 177.34 1r6p h PRO 54 N 0.74 0.00 0.13 3.99 0.13 -1.99 -0.98 132.00 134.02 1r6p h PRO 54 Ca -0.38 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.47 1r6p h PRO 54 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1r6p h PRO 54 CO 0.51 0.41 -1.28 0.93 -0.23 0.00 0.00 178.00 178.34 1r6p h GLU 55 N 0.00 0.28 -0.20 0.86 5.08 -1.99 -2.47 114.58 116.13 1r6p h GLU 55 Ca -0.00 -0.47 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 1r6p h GLU 55 Cb 0.93 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 1r6p h GLU 55 CO 0.05 1.22 -0.28 1.49 -1.00 0.00 0.00 179.01 180.49 1r6p h GLU 56 N 0.08 0.54 0.00 2.33 4.81 -1.92 -3.12 114.58 117.30 1r6p h GLU 56 Ca -0.15 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 1r6p h GLU 56 Cb 1.98 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.38 1r6p h GLU 56 CO 0.20 0.92 -0.39 1.37 -0.73 0.00 0.00 179.01 180.38 1r6p h LEU 57 N 0.21 0.00 -0.66 1.64 8.10 -1.29 -3.15 115.31 120.17 1r6p h LEU 57 Ca 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1r6p h LEU 57 Cb 0.86 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.04 1r6p h LEU 57 CO 0.07 0.39 0.39 -0.61 -4.11 0.00 0.00 178.44 174.57 1r6p h GLN 58 N 0.00 0.89 -0.06 0.17 5.75 -1.38 -1.67 115.11 118.81 1r6p h GLN 58 Ca -0.00 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.39 1r6p h GLN 58 Cb 0.88 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 1r6p h GLN 58 CO 0.05 0.64 -0.09 1.05 -2.65 0.00 0.00 178.83 177.83 1r6p h GLU 59 N 0.89 0.09 -0.38 1.69 -0.00 -1.53 0.08 114.58 115.42 1r6p h GLU 59 Ca 0.24 -0.01 -0.13 0.00 -0.00 0.00 0.00 59.36 59.45 1r6p h GLU 59 Cb -0.02 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.70 1r6p h GLU 59 CO -0.04 0.19 -0.27 0.52 -0.00 0.00 0.00 179.01 179.41 1r6p h MET 60 N 0.09 0.86 -0.09 1.06 2.86 -1.41 -1.89 114.93 116.41 1r6p h MET 60 Ca 0.02 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.24 1r6p h MET 60 Cb 0.22 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1r6p h MET 60 CO 0.01 1.05 0.02 0.82 1.06 0.00 0.00 176.91 179.88 1r6p h ILE 61 N 0.66 1.20 -0.56 -1.22 2.04 -0.50 -0.26 117.51 118.87 1r6p h ILE 61 Ca 0.08 -0.60 0.07 0.00 1.00 0.00 0.00 64.86 65.41 1r6p h ILE 61 Cb 0.84 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1r6p h ILE 61 CO 0.07 0.17 0.37 -0.78 0.00 0.00 0.00 178.15 177.99 1r6p h ASP 62 N -0.06 0.41 0.04 1.72 3.58 -0.97 0.78 116.42 121.92 1r6p h ASP 62 Ca 0.03 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.48 1r6p h ASP 62 Cb 0.25 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1r6p h ASP 62 CO 0.00 0.26 -0.02 -0.33 -2.88 0.00 0.00 179.24 176.27 1r6p h GLU 63 N 0.47 -0.06 -0.36 0.28 4.39 -1.03 -3.33 114.58 114.94 1r6p h GLU 63 Ca 0.25 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.81 1r6p h GLU 63 Cb 0.37 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1r6p h GLU 63 CO -0.07 0.57 -0.32 -0.24 -1.16 0.00 0.00 179.01 177.79 1r6p h VAL 64 N -0.77 1.28 -2.57 3.13 3.04 -0.74 -3.40 116.25 116.22 1r6p h VAL 64 Ca -0.01 -1.47 -0.54 0.00 -1.01 0.00 0.00 66.70 63.67 1r6p h VAL 64 Cb 0.65 1.35 -0.07 0.00 -2.01 0.00 0.00 31.29 31.21 1r6p h VAL 64 CO 0.01 0.49 1.08 -0.62 -1.01 0.00 0.00 177.57 177.52 1r6p s ASP 65 N -6.80 6.12 0.23 3.17 -1.08 0.27 -4.86 116.67 113.71 1r6p s ASP 65 Ca -0.09 -0.12 -0.08 0.00 -0.52 0.00 0.00 52.55 51.74 1r6p s ASP 65 Cb 0.12 -2.55 0.21 0.00 -1.46 0.00 0.00 42.92 39.24 1r6p s ASP 65 CO 0.85 -1.80 1.90 -0.33 0.52 0.00 0.00 175.17 176.31 1r6p h GLU 66 N 10.64 1.20 0.16 4.34 5.08 -1.82 -3.02 114.58 131.16 1r6p h GLU 66 Ca -0.27 -0.09 -0.33 0.00 -1.00 0.00 0.00 59.36 57.67 1r6p h GLU 66 Cb 1.07 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1r6p h GLU 66 CO 1.24 0.82 -1.67 0.38 -1.00 0.00 0.00 179.01 178.77 1r6p h ASP 67 N 1.23 0.51 -3.34 1.42 2.03 -1.92 -3.49 116.42 112.86 1r6p h ASP 67 Ca 0.33 -0.76 -0.13 0.00 -0.73 0.00 0.00 57.03 55.74 1r6p h ASP 67 Cb -0.11 -0.17 0.06 0.00 -0.83 0.00 0.00 39.33 38.29 1r6p h ASP 67 CO -0.07 1.64 -0.29 0.61 -1.03 0.00 0.00 179.24 180.10 1r6p n GLY 68 N 1.78 0.16 0.30 7.15 0.00 -1.14 -4.95 105.19 108.49 1r6p n GLY 68 Ca -0.21 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.64 0.90 -0.22 1.61 3.41 -1.26 -4.88 113.62 111.54 1r6p n SER 69 Ca -0.10 -1.53 -0.03 0.00 -0.26 0.00 0.00 58.87 56.95 1r6p n SER 69 Cb 0.56 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.99 0.61 2.90 5.00 0.00 -1.26 -5.02 105.19 108.41 1r6p n GLY 70 Ca 0.16 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.03 -0.29 2.61 -4.23 -1.26 -2.43 115.64 107.91 1r6p s THR 71 Ca 0.00 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 1r6p s THR 71 Cb 0.00 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1r6p s THR 71 CO 0.00 0.05 0.23 -0.69 -0.54 0.00 0.00 174.62 173.67 1r6p s VAL 72 N 0.73 5.28 0.67 2.29 1.01 -0.75 -4.84 120.40 124.78 1r6p s VAL 72 Ca -0.06 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.01 1r6p s VAL 72 Cb -0.08 -3.59 0.04 0.00 0.00 0.00 0.00 36.38 32.75 1r6p s VAL 72 CO -0.03 0.18 0.99 -1.81 0.00 0.00 0.00 175.10 174.43 1r6p s ASP 73 N 1.74 5.12 0.40 3.32 1.11 -1.26 -1.09 116.67 126.00 1r6p s ASP 73 Ca 0.08 0.61 0.08 0.00 0.18 0.00 0.00 52.55 53.50 1r6p s ASP 73 Cb -0.16 -1.38 0.84 0.00 1.07 0.00 0.00 42.92 43.29 1r6p s ASP 73 CO 0.11 -1.41 2.01 0.15 1.18 0.00 0.00 175.17 177.21 1r6p h PHE 74 N -0.48 0.59 -0.45 4.23 3.57 -1.99 0.77 116.94 123.19 1r6p h PHE 74 Ca -0.45 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 60.96 1r6p h PHE 74 Cb 1.29 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 1r6p h PHE 74 CO 0.39 0.34 -0.12 -0.44 -2.23 0.00 0.00 178.31 176.25 1r6p h ASP 75 N 0.61 0.89 1.69 0.41 3.32 -1.96 -1.54 116.42 119.85 1r6p h ASP 75 Ca 0.23 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1r6p h ASP 75 Cb 0.16 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1r6p h ASP 75 CO -0.06 1.05 0.00 -0.33 -1.72 0.00 0.00 179.24 178.18 1r6p h GLU 76 N 0.72 0.00 0.09 3.56 5.08 -1.60 -2.47 114.58 119.95 1r6p h GLU 76 Ca 0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1r6p h GLU 76 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1r6p h GLU 76 CO 0.05 0.00 -0.04 0.35 -1.00 0.00 0.00 179.01 178.36 1r6p h PHE 77 N 0.00 -0.12 0.00 4.33 3.57 0.89 -2.98 116.94 122.64 1r6p h PHE 77 Ca 0.00 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 1r6p h PHE 77 Cb 0.85 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1r6p h PHE 77 CO 0.00 0.42 -0.45 -0.07 -2.23 0.00 0.00 178.31 175.98 1r6p h LEU 78 N -0.82 0.00 -0.33 0.59 4.07 -1.37 -3.09 115.31 114.36 1r6p h LEU 78 Ca -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.94 1r6p h LEU 78 Cb 0.58 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.31 1r6p h LEU 78 CO 0.02 0.45 0.16 0.58 -1.08 0.00 0.00 178.44 178.57 1r6p h VAL 79 N 0.00 1.16 -0.96 1.22 2.07 -1.51 -2.39 116.25 115.84 1r6p h VAL 79 Ca -0.00 -0.45 0.28 0.00 0.82 0.00 0.00 66.70 67.34 1r6p h VAL 79 Cb 0.85 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1r6p h VAL 79 CO 0.06 0.17 0.81 -0.03 0.02 0.00 0.00 177.57 178.60 1r6p h MET 80 N 0.40 0.00 0.50 1.57 -1.53 -1.43 0.02 114.93 114.46 1r6p h MET 80 Ca 0.11 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.35 1r6p h MET 80 Cb 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.17 1r6p h MET 80 CO -0.01 0.00 -0.24 1.98 0.14 0.00 0.00 176.91 178.78 1r6p h MET 81 N 0.00 -0.65 0.00 0.39 -1.53 -1.55 -2.86 114.93 108.73 1r6p h MET 81 Ca 0.45 0.04 -0.07 0.00 -3.44 0.00 0.00 59.70 56.69 1r6p h MET 81 Cb 2.08 0.15 -0.01 0.00 -0.55 0.00 0.00 31.60 33.26 1r6p h MET 81 CO -0.00 -0.37 -0.32 -0.39 0.14 0.00 0.00 176.91 175.97 1r6p h VAL 82 N -0.81 0.97 -0.02 -5.77 -1.51 -1.22 -2.62 116.25 105.28 1r6p h VAL 82 Ca -0.07 -1.20 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 1r6p h VAL 82 Cb 0.58 1.70 -0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1r6p h VAL 82 CO 0.11 0.31 0.03 0.03 -1.23 0.00 0.00 177.57 176.82 1r6p h ARG 83 N 0.00 0.00 -0.29 5.19 2.47 -0.85 0.94 114.38 121.84 1r6p h ARG 83 Ca -0.00 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.57 1r6p h ARG 83 Cb 0.67 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1r6p h ARG 83 CO 0.04 0.00 -0.43 0.00 0.56 0.00 0.00 179.97 180.15 1r6p h MET 85 N 0.58 0.00 -6.65 0.00 2.86 -1.30 -3.45 114.93 106.98 1r6p h MET 85 Ca 0.04 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.17 1r6p h MET 85 Cb 0.97 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 1r6p h MET 85 CO 0.09 0.00 0.01 0.21 1.06 0.00 0.00 176.91 178.28 1r6p s LYS 86 N -1.48 3.82 -0.73 1.72 2.36 0.18 -4.27 119.74 121.33 1r6p s LYS 86 Ca -0.04 0.39 -0.00 0.00 -2.55 0.00 0.00 55.97 53.77 1r6p s LYS 86 Cb 0.01 -2.51 -0.00 0.00 -1.05 0.00 0.00 37.83 34.27 1r6p s LYS 86 CO 0.06 0.15 0.61 -3.47 1.55 0.00 0.00 175.35 174.24 1r6p n ASP 87 N -0.70 -2.24 0.21 1.43 -0.08 -1.26 -4.11 116.55 109.79 1r6p n ASP 87 Ca 0.02 -0.38 0.00 0.00 -1.51 0.00 0.00 54.79 52.91 1r6p n ASP 87 Cb 0.53 -3.34 0.00 0.00 2.34 0.00 0.00 41.12 40.66 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1r6p n ASP 88 N -2.32 -3.32 0.00 1.67 -0.08 -1.26 -4.86 116.55 106.37 1r6p n ASP 88 Ca -0.17 0.79 0.00 0.00 -1.51 0.00 0.00 54.79 53.90 1r6p n ASP 88 Cb 0.60 3.15 0.00 0.00 2.34 0.00 0.00 41.12 47.21 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08