#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 7.15 -0.94 6.12 4.13 -1.26 -4.62 115.26 125.84 1r6p n ASN 2 Ca 0.00 -3.46 0.11 0.00 1.68 0.00 0.00 54.58 52.91 1r6p n ASN 2 Cb 0.00 -1.26 0.27 0.00 -1.54 0.00 0.00 39.78 37.25 1r6p n ASN 2 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1r6p n ASP 3 N 0.95 2.78 0.10 6.41 5.75 -1.26 -4.24 116.55 127.05 1r6p n ASP 3 Ca 0.46 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.33 1r6p n ASP 3 Cb 0.28 -0.23 0.30 0.00 -1.03 0.00 0.00 41.12 40.44 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 3.49 1.25 -0.07 2.12 -0.00 -2.02 -2.37 117.51 119.91 1r6p h ILE 4 Ca 0.00 -1.16 -0.12 0.00 -0.00 0.00 0.00 64.86 63.58 1r6p h ILE 4 Cb 0.77 1.44 -0.01 0.00 -0.00 0.00 0.00 36.82 39.02 1r6p h ILE 4 CO 0.00 0.35 -0.50 1.88 -0.00 0.00 0.00 178.15 179.88 1r6p h TYR 5 N 0.22 0.21 0.00 0.16 0.05 -1.94 -2.80 116.97 112.88 1r6p h TYR 5 Ca 0.03 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 1r6p h TYR 5 Cb 0.60 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1r6p h TYR 5 CO 0.01 0.64 -0.34 0.87 -1.05 0.00 0.00 178.16 178.29 1r6p h LYS 6 N 0.14 0.00 -0.16 4.88 1.57 -1.70 -2.93 116.57 118.37 1r6p h LYS 6 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1r6p h LYS 6 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1r6p h LYS 6 CO 0.07 0.34 -0.17 0.00 -0.57 0.00 0.00 179.45 179.13 1r6p h ALA 7 N 1.66 1.42 -0.00 3.86 0.00 -1.20 -1.66 119.26 123.33 1r6p h ALA 7 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1r6p h ALA 7 Cb 0.79 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1r6p h ALA 7 CO 0.04 0.40 -0.46 0.00 0.00 0.00 0.00 179.25 179.24 1r6p h ALA 8 N 1.58 0.06 0.00 0.00 0.00 -1.59 -3.05 119.26 116.26 1r6p h ALA 8 Ca 0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1r6p h ALA 8 Cb 0.45 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1r6p h ALA 8 CO 0.03 0.24 -0.04 -0.24 0.00 0.00 0.00 179.25 179.24 1r6p h VAL 9 N -0.27 0.19 0.00 0.00 3.04 -1.47 0.14 116.25 117.88 1r6p h VAL 9 Ca -0.06 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1r6p h VAL 9 Cb 1.19 1.28 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 1r6p h VAL 9 CO 0.09 0.04 -0.16 -0.33 -1.01 0.00 0.00 177.57 176.20 1r6p h GLU 10 N 0.00 0.00 0.00 4.17 4.39 -1.28 -3.33 114.58 118.53 1r6p h GLU 10 Ca -0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1r6p h GLU 10 Cb 0.28 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 28.69 1r6p h GLU 10 CO 0.01 0.00 -0.82 0.00 -1.16 0.00 0.00 179.01 177.03 1r6p n GLN 11 N -2.73 0.57 -1.30 2.33 10.64 -0.49 -5.09 117.38 121.31 1r6p n GLN 11 Ca 0.04 -2.44 -0.30 0.00 -1.83 0.00 0.00 57.00 52.47 1r6p n GLN 11 Cb 0.50 -0.60 0.24 0.00 -0.86 0.00 0.00 30.24 29.52 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 -1.17 1.11 0.40 2.61 0.05 0.39 -5.00 118.68 117.06 1r6p s LEU 12 Ca 0.34 0.39 0.07 0.00 0.05 0.00 0.00 54.13 54.99 1r6p s LEU 12 Cb 0.37 -2.10 0.00 0.00 -2.05 0.00 0.00 46.19 42.41 1r6p s LEU 12 CO -0.13 -3.97 0.54 0.42 -0.55 0.00 0.00 176.35 172.66 1r6p s THR 13 N -3.28 3.33 0.25 5.48 -4.23 -1.26 -5.01 115.64 110.91 1r6p s THR 13 Ca 0.74 -0.99 0.05 0.00 -1.18 0.00 0.00 61.69 60.31 1r6p s THR 13 Cb -0.06 -3.13 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 1r6p s THR 13 CO 0.55 -0.05 1.58 0.44 -0.54 0.00 0.00 174.62 176.60 1r6p h ASP 14 N 0.71 0.23 -0.72 3.99 5.19 -2.00 -2.97 116.42 120.85 1r6p h ASP 14 Ca -0.42 -0.13 -0.03 0.00 -0.62 0.00 0.00 57.03 55.84 1r6p h ASP 14 Cb 1.27 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 1r6p h ASP 14 CO 0.47 0.76 0.35 1.05 -3.12 0.00 0.00 179.24 178.76 1r6p h GLU 15 N 0.15 1.05 -0.83 3.56 4.11 -1.99 -2.24 114.58 118.38 1r6p h GLU 15 Ca -0.00 -0.15 0.02 0.00 0.07 0.00 0.00 59.36 59.30 1r6p h GLU 15 Cb 1.08 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.09 1r6p h GLU 15 CO 0.09 0.81 0.55 1.96 0.07 0.00 0.00 179.01 182.49 1r6p h GLN 16 N 1.04 1.07 0.00 1.06 4.20 -1.93 0.36 115.11 120.92 1r6p h GLN 16 Ca 0.25 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1r6p h GLN 16 Cb 0.11 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1r6p h GLN 16 CO -0.03 0.71 0.00 1.63 -0.67 0.00 0.00 178.83 180.47 1r6p n LYS 17 N -4.42 0.03 -0.05 1.46 4.76 -0.86 -3.04 118.16 116.04 1r6p n LYS 17 Ca 0.10 0.26 -0.04 0.00 -2.87 0.00 0.00 58.31 55.76 1r6p n LYS 17 Cb 0.05 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 31.61 1r6p n LYS 17 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1r6p n ASN 18 N -1.60 2.43 0.13 4.39 3.02 0.06 -3.77 115.26 119.92 1r6p n ASN 18 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.45 1r6p n ASN 18 Cb 0.19 0.85 -0.08 0.00 -0.61 0.00 0.00 39.78 40.13 1r6p n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1r6p h GLU 19 N 0.00 -0.24 0.20 3.52 5.08 -0.31 -1.69 114.58 121.14 1r6p h GLU 19 Ca -0.25 0.02 -0.32 0.00 -1.00 0.00 0.00 59.36 57.80 1r6p h GLU 19 Cb 1.51 0.05 0.02 0.00 0.50 0.00 0.00 28.75 30.84 1r6p h GLU 19 CO 0.01 -0.13 -1.48 0.74 -1.00 0.00 0.00 179.01 177.16 1r6p h PHE 20 N -0.29 0.79 -0.89 4.33 -1.00 -1.82 -3.33 116.94 114.72 1r6p h PHE 20 Ca -0.03 -0.57 0.06 0.00 2.81 0.00 0.00 57.97 60.24 1r6p h PHE 20 Cb 0.23 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.70 1r6p h PHE 20 CO -0.05 1.50 0.58 -0.22 -1.61 0.00 0.00 178.31 178.51 1r6p h LYS 21 N 0.12 0.99 -0.61 1.51 3.11 -1.65 0.65 116.57 120.69 1r6p h LYS 21 Ca -0.24 -0.06 0.04 0.00 -2.81 0.00 0.00 60.65 57.58 1r6p h LYS 21 Cb 2.10 -0.22 -0.04 0.00 -1.00 0.00 0.00 32.23 33.07 1r6p h LYS 21 CO 0.24 0.65 0.36 0.00 -2.81 0.00 0.00 179.45 177.89 1r6p h ALA 22 N 1.51 0.80 0.00 5.00 0.00 -1.41 0.73 119.26 125.89 1r6p h ALA 22 Ca 0.38 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1r6p h ALA 22 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1r6p h ALA 22 CO -0.14 0.08 -0.82 0.00 0.00 0.00 0.00 179.25 178.37 1r6p h ALA 23 N 1.29 0.56 -0.63 0.00 0.00 -1.47 -3.25 119.26 115.77 1r6p h ALA 23 Ca 0.26 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1r6p h ALA 23 Cb 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1r6p h ALA 23 CO -0.13 1.03 0.26 0.35 0.00 0.00 0.00 179.25 180.77 1r6p h PHE 24 N 0.00 0.95 0.00 0.00 3.04 0.13 0.09 116.94 121.16 1r6p h PHE 24 Ca -0.01 -0.07 -0.10 0.00 3.98 0.00 0.00 57.97 61.77 1r6p h PHE 24 Cb 1.53 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.74 1r6p h PHE 24 CO 0.00 0.74 -0.48 0.38 -2.02 0.00 0.00 178.31 176.93 1r6p h ASP 25 N 0.88 0.00 0.35 0.41 3.04 -0.95 -1.75 116.42 118.41 1r6p h ASP 25 Ca 0.21 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 53.68 1r6p h ASP 25 Cb 0.19 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 38.50 1r6p h ASP 25 CO -0.02 0.48 -1.52 0.16 -2.04 0.00 0.00 179.24 176.30 1r6p h ILE 26 N 0.00 1.21 -0.24 4.15 3.07 -1.53 -2.86 117.51 121.31 1r6p h ILE 26 Ca -0.00 -2.74 -0.16 0.00 1.55 0.00 0.00 64.86 63.50 1r6p h ILE 26 Cb 0.88 2.90 -0.00 0.00 -0.27 0.00 0.00 36.82 40.33 1r6p h ILE 26 CO 0.06 0.84 -0.52 -0.26 -1.05 0.00 0.00 178.15 177.22 1r6p h PHE 27 N 0.11 0.84 -0.37 0.16 0.04 -0.97 -2.88 116.94 113.85 1r6p h PHE 27 Ca -0.26 -0.29 0.00 0.00 2.80 0.00 0.00 57.97 60.23 1r6p h PHE 27 Cb 2.09 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 40.08 1r6p h PHE 27 CO 0.10 1.05 0.00 0.44 -0.60 0.00 0.00 178.31 179.29 1r6p n ILE 28 N -3.99 0.52 -0.35 -0.55 -6.64 -0.66 -4.32 119.36 103.37 1r6p n ILE 28 Ca -0.03 -0.51 0.14 0.00 -1.77 0.00 0.00 62.75 60.58 1r6p n ILE 28 Cb 0.60 0.24 0.34 0.00 -1.44 0.00 0.00 39.64 39.37 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 2.19 0.69 -0.63 6.28 4.15 -1.27 0.22 115.11 126.74 1r6p h GLN 29 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1r6p h GLN 29 Cb 0.52 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1r6p h GLN 29 CO 0.01 0.46 0.00 -0.25 -1.93 0.00 0.00 178.83 177.11 1r6p n ASP 30 N -4.80 4.67 -4.93 -0.69 8.00 -1.26 -4.96 116.55 112.58 1r6p n ASP 30 Ca 0.24 -2.44 -0.29 0.00 0.71 0.00 0.00 54.79 53.01 1r6p n ASP 30 Cb 0.63 -0.56 -0.04 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.83 3.96 -0.31 2.24 0.00 0.76 -5.03 121.76 121.54 1r6p s ALA 31 Ca 0.50 -0.88 0.12 0.00 0.00 0.00 0.00 51.96 51.70 1r6p s ALA 31 Cb 0.32 -1.86 0.47 0.00 0.00 0.00 0.00 23.12 22.05 1r6p s ALA 31 CO 0.24 0.67 1.13 0.39 0.00 0.00 0.00 175.76 178.19 1r6p n GLU 32 N -0.12 2.83 0.00 0.00 1.02 -1.26 -4.78 120.64 118.33 1r6p n GLU 32 Ca -0.05 -3.97 0.00 0.00 -0.02 0.00 0.00 57.16 53.12 1r6p n GLU 32 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 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 -0.57 0.00 0.00 1.62 9.92 -1.26 -5.08 116.55 121.19 1r6p n ASP 33 Ca 0.30 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1r6p n ASP 33 Cb 0.85 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.33 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 1.00 3.51 0.44 0.00 -1.26 -5.15 105.19 105.23 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 -0.68 2.15 -0.36 0.00 -5.25 -0.02 -4.70 121.20 112.33 1r6p s ILE 36 Ca -0.07 -0.20 -0.20 0.00 -0.99 0.00 0.00 60.65 59.18 1r6p s ILE 36 Cb -0.02 -2.95 0.00 0.00 2.95 0.00 0.00 42.46 42.44 1r6p s ILE 36 CO 0.06 0.00 0.62 -0.55 -1.79 0.00 0.00 174.94 173.28 1r6p s SER 37 N -4.63 6.40 0.39 4.36 0.15 -1.26 -1.22 113.70 117.88 1r6p s SER 37 Ca 0.64 0.07 0.11 0.00 0.70 0.00 0.00 55.95 57.46 1r6p s SER 37 Cb -0.09 -2.32 0.90 0.00 -1.71 0.00 0.00 66.02 62.80 1r6p s SER 37 CO 0.47 -0.59 1.94 0.71 1.20 0.00 0.00 173.24 176.97 1r6p h THR 38 N 5.68 0.91 -0.13 6.45 1.35 -1.81 0.19 112.91 125.55 1r6p h THR 38 Ca -0.26 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.37 1r6p h THR 38 Cb 1.11 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 1r6p h THR 38 CO 0.83 0.11 -0.01 0.11 -0.25 0.00 0.00 175.52 176.31 1r6p h LYS 39 N 0.58 0.19 -0.61 4.72 1.57 -1.92 -1.18 116.57 119.92 1r6p h LYS 39 Ca 0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1r6p h LYS 39 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1r6p h LYS 39 CO -0.12 0.22 0.00 0.39 -0.57 0.00 0.00 179.45 179.37 1r6p n GLU 40 N -4.41 2.92 0.27 3.15 1.02 0.65 -4.36 120.64 119.89 1r6p n GLU 40 Ca -0.01 -2.06 0.18 0.00 -0.02 0.00 0.00 57.16 55.25 1r6p n GLU 40 Cb 0.16 -1.70 0.94 0.00 -0.02 0.00 0.00 31.44 30.83 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 2.99 0.00 -0.56 -4.62 7.12 -0.86 -1.59 115.31 117.80 1r6p h LEU 41 Ca 0.00 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.05 1r6p h LEU 41 Cb 1.09 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.17 1r6p h LEU 41 CO 0.16 0.00 0.31 1.23 -0.13 0.00 0.00 178.44 180.01 1r6p h GLY 42 N 0.00 0.80 2.00 3.75 0.00 -1.81 0.43 103.07 108.23 1r6p h GLY 42 Ca 0.04 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1r6p h GLY 42 CO -0.00 0.15 -0.33 0.50 0.00 0.00 0.00 176.54 176.86 1r6p h LYS 43 N 0.60 0.00 0.05 4.80 1.57 -1.64 -2.38 116.57 119.56 1r6p h LYS 43 Ca 0.24 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1r6p h LYS 43 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1r6p h LYS 43 CO -0.15 0.33 -0.02 0.28 -0.57 0.00 0.00 179.45 179.32 1r6p h VAL 44 N 0.00 1.31 -0.94 0.50 2.07 -0.97 -2.74 116.25 115.48 1r6p h VAL 44 Ca -0.00 -1.33 0.07 0.00 0.82 0.00 0.00 66.70 66.25 1r6p h VAL 44 Cb 0.74 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 1r6p h VAL 44 CO 0.04 0.33 0.61 0.24 0.02 0.00 0.00 177.57 178.81 1r6p h MET 45 N -0.67 1.05 -0.61 1.57 2.86 -0.17 -0.33 114.93 118.62 1r6p h MET 45 Ca -0.01 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1r6p h MET 45 Cb 0.59 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1r6p h MET 45 CO 0.01 0.69 0.30 0.00 1.06 0.00 0.00 176.91 178.98 1r6p h ARG 46 N 1.08 0.85 -0.23 1.72 3.08 -0.33 0.45 114.38 120.99 1r6p h ARG 46 Ca 0.41 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 60.24 1r6p h ARG 46 Cb 0.21 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1r6p h ARG 46 CO -0.16 0.65 -0.36 0.52 -1.07 0.00 0.00 179.97 179.55 1r6p h MET 47 N 0.85 0.50 -0.07 0.04 2.86 -0.79 -2.81 114.93 115.51 1r6p h MET 47 Ca 0.21 -0.23 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1r6p h MET 47 Cb 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1r6p h MET 47 CO -0.03 0.79 -0.58 -0.07 1.06 0.00 0.00 176.91 178.08 1r6p h LEU 48 N 0.42 0.24 0.00 1.22 4.07 -0.23 -3.47 115.31 117.57 1r6p h LEU 48 Ca 0.05 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.87 1r6p h LEU 48 Cb 0.82 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.49 1r6p h LEU 48 CO 0.07 0.77 0.00 0.61 -1.08 0.00 0.00 178.44 178.81 1r6p n GLY 49 N 0.20 1.54 3.00 0.83 0.00 0.21 -5.10 105.19 105.87 1r6p n GLY 49 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 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 0.50 -0.63 1.61 -1.52 0.13 -4.97 119.66 114.78 1r6p s GLN 50 Ca 0.00 -0.38 0.05 0.00 -1.95 0.00 0.00 55.36 53.08 1r6p s GLN 50 Cb 0.00 -0.42 0.18 0.00 -0.22 0.00 0.00 33.01 32.55 1r6p s GLN 50 CO 0.00 0.11 0.50 0.27 -0.25 0.00 0.00 175.29 175.92 1r6p n ASN 51 N 2.49 2.40 -2.52 5.90 0.23 -1.26 -0.63 115.26 121.88 1r6p n ASN 51 Ca -0.16 -3.08 0.00 0.00 -0.53 0.00 0.00 54.58 50.82 1r6p n ASN 51 Cb 0.57 -0.71 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 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 1.94 1.13 -3.91 -0.53 -0.04 -1.26 -5.09 135.00 127.24 1r6p n PRO 52 Ca 0.23 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.44 1r6p n PRO 52 Cb 0.39 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.82 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 0.15 1.98 0.19 0.52 -4.23 -1.26 -4.96 115.64 108.03 1r6p s THR 53 Ca 0.00 -1.53 0.13 0.00 -1.18 0.00 0.00 61.69 59.12 1r6p s THR 53 Cb 0.00 -2.51 0.01 0.00 1.34 0.00 0.00 72.50 71.35 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 0.98 0.00 0.08 3.99 0.13 -1.98 -0.57 132.00 134.62 1r6p h PRO 54 Ca -0.39 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.48 1r6p h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1r6p h PRO 54 CO 0.61 0.57 -1.24 1.05 -0.23 0.00 0.00 178.00 178.76 1r6p h GLU 55 N 0.00 0.16 -0.00 0.86 4.11 -1.99 -3.03 114.58 114.69 1r6p h GLU 55 Ca -0.01 -0.28 -0.07 0.00 0.07 0.00 0.00 59.36 59.08 1r6p h GLU 55 Cb 1.12 0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1r6p h GLU 55 CO 0.07 1.09 -0.27 0.93 0.07 0.00 0.00 179.01 180.90 1r6p h GLU 56 N 0.04 0.18 -0.58 1.06 5.08 -1.95 -2.77 114.58 115.66 1r6p h GLU 56 Ca -0.12 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1r6p h GLU 56 Cb 1.91 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.19 1r6p h GLU 56 CO 0.16 0.93 0.38 1.37 -1.00 0.00 0.00 179.01 180.86 1r6p h LEU 57 N -0.49 0.60 -0.73 1.33 8.10 -1.24 -1.34 115.31 121.55 1r6p h LEU 57 Ca -0.03 -0.01 -0.14 0.00 0.11 0.00 0.00 57.88 57.81 1r6p h LEU 57 Cb 1.02 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 41.09 1r6p h LEU 57 CO 0.05 0.42 -0.56 -0.61 -4.11 0.00 0.00 178.44 173.64 1r6p h GLN 58 N 0.70 0.24 -0.09 0.17 5.75 -1.58 -2.76 115.11 117.54 1r6p h GLN 58 Ca 0.23 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1r6p h GLN 58 Cb 0.04 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 1r6p h GLN 58 CO -0.06 0.73 0.02 0.93 -2.65 0.00 0.00 178.83 177.80 1r6p h GLU 59 N 0.18 0.15 -0.09 1.69 5.08 -0.95 0.76 114.58 121.40 1r6p h GLU 59 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1r6p h GLU 59 Cb 1.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1r6p h GLU 59 CO 0.09 0.35 -0.09 0.00 -1.00 0.00 0.00 179.01 178.35 1r6p h MET 60 N -0.07 0.14 -0.04 2.33 -0.00 -1.45 -2.38 114.93 113.45 1r6p h MET 60 Ca 0.03 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.70 59.66 1r6p h MET 60 Cb 0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.85 1r6p h MET 60 CO 0.00 0.24 -0.17 0.82 -0.00 0.00 0.00 176.91 177.80 1r6p h ILE 61 N 0.13 1.47 -0.77 -0.10 2.04 -1.23 -2.06 117.51 117.00 1r6p h ILE 61 Ca 0.03 -1.64 0.17 0.00 1.00 0.00 0.00 64.86 64.42 1r6p h ILE 61 Cb 0.25 2.44 -0.05 0.00 -0.74 0.00 0.00 36.82 38.72 1r6p h ILE 61 CO 0.01 0.45 0.52 -0.78 0.00 0.00 0.00 178.15 178.35 1r6p h ASP 62 N -0.38 0.34 0.04 1.72 1.82 -0.54 0.67 116.42 120.09 1r6p h ASP 62 Ca -0.01 0.02 -0.09 0.00 -0.39 0.00 0.00 57.03 56.57 1r6p h ASP 62 Cb 0.82 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 40.80 1r6p h ASP 62 CO 0.04 0.17 -0.36 -0.33 -1.61 0.00 0.00 179.24 177.14 1r6p h GLU 63 N 0.36 0.18 -0.18 0.28 4.39 -1.41 -3.35 114.58 114.84 1r6p h GLU 63 Ca 0.38 -0.24 -0.17 0.00 0.34 0.00 0.00 59.36 59.67 1r6p h GLU 63 Cb 0.97 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1r6p h GLU 63 CO -0.11 1.03 -0.58 -0.24 -1.16 0.00 0.00 179.01 177.95 1r6p h VAL 64 N -0.56 1.32 -2.20 3.13 3.04 -0.72 -3.41 116.25 116.85 1r6p h VAL 64 Ca -0.05 -1.84 -0.52 0.00 -1.01 0.00 0.00 66.70 63.28 1r6p h VAL 64 Cb 1.19 1.81 -0.05 0.00 -2.01 0.00 0.00 31.29 32.23 1r6p h VAL 64 CO 0.07 0.57 1.25 -0.62 -1.01 0.00 0.00 177.57 177.83 1r6p s ASP 65 N -6.94 5.61 0.25 3.17 2.15 0.23 -4.84 116.67 116.30 1r6p s ASP 65 Ca -0.08 0.19 -0.05 0.00 0.43 0.00 0.00 52.55 53.05 1r6p s ASP 65 Cb 0.11 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 40.48 1r6p s ASP 65 CO 0.85 -2.14 1.83 1.05 -0.17 0.00 0.00 175.17 176.59 1r6p h GLU 66 N 13.25 1.07 0.10 4.34 4.11 -1.86 -3.14 114.58 132.44 1r6p h GLU 66 Ca -0.27 -0.17 -0.33 0.00 0.07 0.00 0.00 59.36 58.66 1r6p h GLU 66 Cb 1.13 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1r6p h GLU 66 CO 1.22 0.85 -1.80 0.38 0.07 0.00 0.00 179.01 179.73 1r6p h ASP 67 N 1.05 0.32 -3.62 3.06 2.03 -1.95 -3.49 116.42 113.81 1r6p h ASP 67 Ca 0.25 -0.62 -0.15 0.00 -0.73 0.00 0.00 57.03 55.78 1r6p h ASP 67 Cb 0.17 -0.10 0.08 0.00 -0.83 0.00 0.00 39.33 38.64 1r6p h ASP 67 CO -0.02 1.54 -0.35 0.61 -1.03 0.00 0.00 179.24 179.99 1r6p n GLY 68 N 1.80 0.09 0.53 7.15 0.00 -1.19 -4.94 105.19 108.63 1r6p n GLY 68 Ca -0.24 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 1.60 -0.15 1.61 3.41 -1.26 -4.90 113.62 112.10 1r6p n SER 69 Ca -0.12 -1.67 -0.02 0.00 -0.26 0.00 0.00 58.87 56.80 1r6p n SER 69 Cb 0.57 -0.09 -0.01 0.00 -0.26 0.00 0.00 64.21 64.42 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 1.13 0.53 3.11 5.00 0.00 -1.26 -5.02 105.19 108.68 1r6p n GLY 70 Ca 0.16 -0.95 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.07 -0.00 -0.29 2.61 -4.23 -1.26 -2.47 115.64 107.93 1r6p s THR 71 Ca 0.00 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.41 1r6p s THR 71 Cb 0.00 -0.33 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 1r6p s THR 71 CO 0.00 0.00 0.15 -0.69 -0.54 0.00 0.00 174.62 173.55 1r6p s VAL 72 N 0.14 4.84 0.72 2.29 1.01 -0.36 -4.85 120.40 124.20 1r6p s VAL 72 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 1r6p s VAL 72 Cb -0.02 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 33.06 1r6p s VAL 72 CO 0.00 0.19 1.05 -1.81 0.00 0.00 0.00 175.10 174.53 1r6p s ASP 73 N 1.68 4.78 0.43 3.32 1.11 -1.26 -0.84 116.67 125.88 1r6p s ASP 73 Ca 0.06 0.54 0.09 0.00 0.18 0.00 0.00 52.55 53.42 1r6p s ASP 73 Cb -0.16 -1.17 0.95 0.00 1.07 0.00 0.00 42.92 43.61 1r6p s ASP 73 CO 0.08 -1.64 2.07 0.15 1.18 0.00 0.00 175.17 177.00 1r6p h PHE 74 N -0.68 0.41 -0.42 4.23 3.57 -1.99 0.77 116.94 122.84 1r6p h PHE 74 Ca -0.45 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 60.97 1r6p h PHE 74 Cb 1.32 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1r6p h PHE 74 CO 0.34 0.25 -0.08 0.22 -2.23 0.00 0.00 178.31 176.81 1r6p h ASP 75 N 0.44 0.79 0.84 0.41 3.58 -1.97 -1.46 116.42 119.05 1r6p h ASP 75 Ca 0.13 -0.35 -0.13 0.00 0.42 0.00 0.00 57.03 57.09 1r6p h ASP 75 Cb -0.01 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1r6p h ASP 75 CO -0.03 0.96 -0.64 -0.33 -2.88 0.00 0.00 179.24 176.32 1r6p h GLU 76 N 0.61 0.00 0.02 0.28 5.08 -1.67 -2.26 114.58 116.65 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 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1r6p h GLU 76 CO 0.04 0.64 -0.01 0.35 -1.00 0.00 0.00 179.01 179.03 1r6p h PHE 77 N 0.00 -0.03 -0.05 4.33 3.57 0.76 -2.50 116.94 123.02 1r6p h PHE 77 Ca -0.01 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1r6p h PHE 77 Cb 1.24 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1r6p h PHE 77 CO 0.00 0.30 -0.56 -0.07 -2.23 0.00 0.00 178.31 175.75 1r6p h LEU 78 N -0.36 0.18 -0.37 0.59 4.07 -1.33 -3.13 115.31 114.95 1r6p h LEU 78 Ca -0.00 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.86 1r6p h LEU 78 Cb 0.34 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1r6p h LEU 78 CO 0.01 0.70 0.23 0.58 -1.08 0.00 0.00 178.44 178.88 1r6p h VAL 79 N 0.12 1.11 -1.20 1.22 2.07 -1.38 -2.03 116.25 116.16 1r6p h VAL 79 Ca -0.00 -0.25 0.35 0.00 0.82 0.00 0.00 66.70 67.62 1r6p h VAL 79 Cb 1.03 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1r6p h VAL 79 CO 0.08 0.11 0.87 -0.03 0.02 0.00 0.00 177.57 178.62 1r6p h MET 80 N 0.49 0.00 0.61 1.57 -1.53 -1.39 0.13 114.93 114.81 1r6p h MET 80 Ca 0.13 0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.36 1r6p h MET 80 Cb -0.02 0.00 0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1r6p h MET 80 CO -0.03 0.00 -0.29 1.98 0.14 0.00 0.00 176.91 178.71 1r6p h MET 81 N 0.00 -0.79 0.00 0.39 -1.53 -1.48 -2.51 114.93 109.02 1r6p h MET 81 Ca 0.57 0.05 -0.08 0.00 -3.44 0.00 0.00 59.70 56.81 1r6p h MET 81 Cb 2.30 0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 33.52 1r6p h MET 81 CO -0.01 -0.49 -0.37 -0.39 0.14 0.00 0.00 176.91 175.79 1r6p h VAL 82 N -0.93 1.20 0.00 -5.77 -1.51 -1.23 -2.35 116.25 105.67 1r6p h VAL 82 Ca -0.08 -1.29 -0.00 0.00 -1.23 0.00 0.00 66.70 64.09 1r6p h VAL 82 Cb 0.67 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1r6p h VAL 82 CO 0.14 0.36 -0.01 0.03 -1.23 0.00 0.00 177.57 176.86 1r6p h ARG 83 N 0.00 0.00 0.04 5.19 3.08 -0.60 0.34 114.38 122.43 1r6p h ARG 83 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1r6p h ARG 83 Cb 0.68 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.68 1r6p h ARG 83 CO 0.05 0.01 -2.05 0.00 -1.07 0.00 0.00 179.97 176.91 1r6p h MET 85 N 0.02 0.00 -5.53 0.00 2.86 -1.12 -3.44 114.93 107.72 1r6p h MET 85 Ca -0.43 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.59 1r6p h MET 85 Cb 2.05 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 33.57 1r6p h MET 85 CO 0.05 0.00 0.68 0.21 1.06 0.00 0.00 176.91 178.90 1r6p s LYS 86 N -1.04 3.20 -0.11 1.72 2.36 0.12 -4.61 119.74 121.37 1r6p s LYS 86 Ca -0.00 -0.89 0.04 0.00 -2.55 0.00 0.00 55.97 52.57 1r6p s LYS 86 Cb 0.00 -4.36 0.13 0.00 -1.05 0.00 0.00 37.83 32.56 1r6p s LYS 86 CO 0.01 -1.87 0.82 -0.40 1.55 0.00 0.00 175.35 175.46 1r6p n ASP 87 N 7.81 -0.51 -2.64 1.43 5.75 -1.26 -4.31 116.55 122.82 1r6p n ASP 87 Ca 0.02 -1.36 -0.03 0.00 -0.01 0.00 0.00 54.79 53.41 1r6p n ASP 87 Cb 0.46 0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 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 -0.50 -4.24 0.00 -1.12 9.92 -1.26 -5.08 116.55 114.26 1r6p n ASP 88 Ca -0.07 1.38 0.08 0.00 -0.53 0.00 0.00 54.79 55.65 1r6p n ASP 88 Cb 0.61 -5.26 0.46 0.00 -0.64 0.00 0.00 41.12 36.29 1r6p n ASP 88 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09