#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r6p s ASN 2 N 0.00 6.68 0.00 6.12 0.02 -1.26 -4.75 114.94 121.75 1r6p s ASN 2 Ca 0.00 -2.15 0.19 0.00 -1.02 0.00 0.00 52.86 49.88 1r6p s ASN 2 Cb 0.00 -2.40 -0.09 0.00 0.02 0.00 0.00 41.25 38.78 1r6p s ASN 2 CO 0.00 -1.03 0.91 0.47 0.02 0.00 0.00 177.10 177.47 1r6p n ASP 3 N 6.46 1.45 0.23 -1.22 8.00 -1.26 -4.39 116.55 125.82 1r6p n ASP 3 Ca 0.26 -1.23 0.07 0.00 0.71 0.00 0.00 54.79 54.60 1r6p n ASP 3 Cb 0.48 0.69 0.57 0.00 -0.02 0.00 0.00 41.12 42.85 1r6p n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r6p h ILE 4 N 1.27 1.06 -0.36 0.53 -0.00 -1.88 -1.46 117.51 116.66 1r6p h ILE 4 Ca 0.00 -0.25 -0.09 0.00 -0.00 0.00 0.00 64.86 64.52 1r6p h ILE 4 Cb 0.57 1.10 -0.02 0.00 -0.00 0.00 0.00 36.82 38.48 1r6p h ILE 4 CO 0.00 0.07 -0.16 1.88 -0.00 0.00 0.00 178.15 179.95 1r6p h TYR 5 N 0.03 0.73 0.00 0.16 -1.99 -1.89 -2.65 116.97 111.35 1r6p h TYR 5 Ca 0.01 -0.14 -0.08 0.00 2.00 0.00 0.00 58.73 60.52 1r6p h TYR 5 Cb 0.12 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.66 1r6p h TYR 5 CO 0.00 0.78 -0.38 0.87 -0.00 0.00 0.00 178.16 179.43 1r6p h LYS 6 N 0.59 0.00 -0.51 4.88 1.57 -1.56 -3.12 116.57 118.43 1r6p h LYS 6 Ca 0.10 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1r6p h LYS 6 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1r6p h LYS 6 CO 0.04 0.38 0.06 0.00 -0.57 0.00 0.00 179.45 179.37 1r6p h ALA 7 N 1.62 1.15 -0.02 3.86 0.00 -1.05 -0.90 119.26 123.92 1r6p h ALA 7 Ca -0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 1r6p h ALA 7 Cb 1.04 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1r6p h ALA 7 CO 0.05 0.56 -0.48 0.00 0.00 0.00 0.00 179.25 179.38 1r6p h ALA 8 N 1.30 0.08 0.00 0.00 0.00 -1.54 -3.06 119.26 116.04 1r6p h ALA 8 Ca 0.16 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1r6p h ALA 8 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r6p h ALA 8 CO 0.01 0.28 -0.07 -0.24 0.00 0.00 0.00 179.25 179.22 1r6p h VAL 9 N -0.18 0.40 0.00 0.00 3.04 -1.48 -0.09 116.25 117.94 1r6p h VAL 9 Ca -0.05 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.24 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 0.10 0.07 -0.11 -0.62 -1.01 0.00 0.00 177.57 176.00 1r6p n GLU 10 N -3.50 0.03 -0.89 4.17 1.02 -0.35 -3.76 120.64 117.36 1r6p n GLU 10 Ca -0.02 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.19 1r6p n GLU 10 Cb 0.21 -1.53 0.08 0.00 -0.02 0.00 0.00 31.44 30.17 1r6p n GLU 10 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r6p n GLN 11 N -1.58 0.55 -1.27 3.49 10.64 -0.19 -5.08 117.38 123.94 1r6p n GLN 11 Ca 0.07 -2.17 -0.29 0.00 -1.83 0.00 0.00 57.00 52.77 1r6p n GLN 11 Cb 0.35 -0.69 0.20 0.00 -0.86 0.00 0.00 30.24 29.24 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 -1.15 1.37 0.43 2.61 0.05 -0.37 -5.02 118.68 116.60 1r6p s LEU 12 Ca 0.27 0.81 0.07 0.00 0.05 0.00 0.00 54.13 55.33 1r6p s LEU 12 Cb 0.29 -2.80 -0.05 0.00 -2.05 0.00 0.00 46.19 41.58 1r6p s LEU 12 CO -0.08 -3.44 0.17 0.42 -0.55 0.00 0.00 176.35 172.87 1r6p s THR 13 N -3.13 2.17 0.25 5.48 -4.23 -1.26 -5.03 115.64 109.88 1r6p s THR 13 Ca 0.68 -1.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.49 1r6p s THR 13 Cb -0.13 -2.90 -0.01 0.00 1.34 0.00 0.00 72.50 70.80 1r6p s THR 13 CO 0.56 0.00 1.60 -0.78 -0.54 0.00 0.00 174.62 175.46 1r6p h ASP 14 N 1.41 0.38 0.19 3.99 3.58 -2.00 -2.48 116.42 121.50 1r6p h ASP 14 Ca -0.43 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 56.81 1r6p h ASP 14 Cb 1.26 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1r6p h ASP 14 CO 0.71 0.81 -0.14 1.05 -2.88 0.00 0.00 179.24 178.79 1r6p h GLU 15 N 0.28 0.00 -0.35 0.28 -0.00 -1.98 -2.06 114.58 110.75 1r6p h GLU 15 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 59.36 59.23 1r6p h GLU 15 Cb 0.97 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.71 1r6p h GLU 15 CO 0.08 0.14 -0.34 0.37 -0.00 0.00 0.00 179.01 179.27 1r6p h GLN 16 N 0.00 0.85 0.00 1.06 4.15 -1.85 0.44 115.11 119.76 1r6p h GLN 16 Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1r6p h GLN 16 Cb 0.28 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1r6p h GLN 16 CO 0.02 1.08 0.00 0.87 -1.93 0.00 0.00 178.83 178.87 1r6p h LYS 17 N 0.64 0.00 0.00 1.69 1.57 -1.26 -3.04 116.57 116.17 1r6p h LYS 17 Ca 0.06 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.55 1r6p h LYS 17 Cb 0.92 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.18 1r6p h LYS 17 CO 0.08 0.00 -2.22 0.09 -0.57 0.00 0.00 179.45 176.84 1r6p n ASN 18 N -2.93 0.40 0.28 0.86 3.02 -0.95 -3.59 115.26 112.35 1r6p n ASN 18 Ca 0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.39 1r6p n ASN 18 Cb 0.28 1.13 -0.08 0.00 -0.61 0.00 0.00 39.78 40.49 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 -0.78 -0.11 3.52 4.57 -0.01 0.11 114.58 121.87 1r6p h GLU 19 Ca -0.42 0.05 -0.20 0.00 -1.18 0.00 0.00 59.36 57.61 1r6p h GLU 19 Cb 1.94 0.18 0.01 0.00 -0.16 0.00 0.00 28.75 30.72 1r6p h GLU 19 CO 0.02 -0.52 -0.72 0.74 -1.18 0.00 0.00 179.01 177.35 1r6p h PHE 20 N -0.81 0.94 -0.59 0.92 -1.00 -1.79 -3.20 116.94 111.40 1r6p h PHE 20 Ca -0.05 -0.43 0.10 0.00 2.81 0.00 0.00 57.97 60.40 1r6p h PHE 20 Cb 0.69 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 1r6p h PHE 20 CO -0.14 1.25 0.40 -0.22 -1.61 0.00 0.00 178.31 177.99 1r6p h LYS 21 N 0.36 0.37 0.22 1.51 1.63 -1.60 0.64 116.57 119.69 1r6p h LYS 21 Ca -0.06 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1r6p h LYS 21 Cb 1.36 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.91 1r6p h LYS 21 CO 0.15 0.24 -0.10 0.00 -3.45 0.00 0.00 179.45 176.29 1r6p h ALA 22 N 1.70 -0.29 -0.19 5.00 0.00 -0.96 0.17 119.26 124.68 1r6p h ALA 22 Ca 0.27 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1r6p h ALA 22 Cb 0.56 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1r6p h ALA 22 CO -0.07 -0.61 -0.30 0.00 0.00 0.00 0.00 179.25 178.27 1r6p h ALA 23 N 0.35 1.13 -0.63 0.00 0.00 -1.39 -2.83 119.26 115.88 1r6p h ALA 23 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1r6p h ALA 23 Cb 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1r6p h ALA 23 CO 0.05 0.55 0.40 0.35 0.00 0.00 0.00 179.25 180.60 1r6p h PHE 24 N 0.33 0.82 -0.26 0.00 3.04 0.55 -0.60 116.94 120.81 1r6p h PHE 24 Ca 0.04 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1r6p h PHE 24 Cb 0.70 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1r6p h PHE 24 CO 0.02 0.53 0.07 0.22 -2.02 0.00 0.00 178.31 177.13 1r6p h ASP 25 N 0.86 0.39 -0.52 0.41 3.58 -0.75 0.25 116.42 120.64 1r6p h ASP 25 Ca 0.23 -0.23 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 1r6p h ASP 25 Cb -0.06 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 1r6p h ASP 25 CO -0.05 0.51 -0.03 0.16 -2.88 0.00 0.00 179.24 176.96 1r6p h ILE 26 N 0.25 1.26 0.01 2.25 3.07 -1.34 -1.70 117.51 121.31 1r6p h ILE 26 Ca 0.08 -1.15 -0.19 0.00 1.55 0.00 0.00 64.86 65.15 1r6p h ILE 26 Cb 0.27 0.86 -0.02 0.00 -0.27 0.00 0.00 36.82 37.67 1r6p h ILE 26 CO 0.00 0.41 -0.89 -0.26 -1.05 0.00 0.00 178.15 176.36 1r6p h PHE 27 N 0.89 0.17 -0.95 0.16 0.04 -1.05 -3.20 116.94 113.01 1r6p h PHE 27 Ca 0.16 -0.10 -0.57 0.00 2.80 0.00 0.00 57.97 60.26 1r6p h PHE 27 Cb 0.56 -0.02 -0.29 0.00 2.20 0.00 0.00 35.95 38.40 1r6p h PHE 27 CO 0.04 0.94 0.66 1.51 -0.60 0.00 0.00 178.31 180.86 1r6p n ILE 28 N -3.59 3.34 -0.06 -0.55 0.00 0.87 -4.52 119.36 114.85 1r6p n ILE 28 Ca -0.02 -2.50 -0.09 0.00 0.00 0.00 0.00 62.75 60.14 1r6p n ILE 28 Cb 0.82 -0.79 -0.08 0.00 0.00 0.00 0.00 39.64 39.59 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 1.49 -0.00 -0.01 9.51 4.15 -1.30 -3.34 115.11 125.61 1r6p h GLN 29 Ca 0.59 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.01 1r6p h GLN 29 Cb 1.84 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.53 1r6p h GLN 29 CO 1.27 0.62 -0.00 -3.47 -1.93 0.00 0.00 178.83 175.32 1r6p n ASP 30 N -4.67 1.40 -4.88 -0.69 2.03 -1.26 -4.90 116.55 103.58 1r6p n ASP 30 Ca -0.06 -1.46 -0.31 0.00 0.52 0.00 0.00 54.79 53.48 1r6p n ASP 30 Cb 0.30 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.65 1r6p n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r6p s ALA 31 N -2.01 3.53 -0.29 -1.67 0.00 -1.25 -5.02 121.76 115.06 1r6p s ALA 31 Ca 0.38 -0.30 0.12 0.00 0.00 0.00 0.00 51.96 52.17 1r6p s ALA 31 Cb 0.21 -2.46 0.47 0.00 0.00 0.00 0.00 23.12 21.34 1r6p s ALA 31 CO 0.34 0.39 1.16 0.39 0.00 0.00 0.00 175.76 178.03 1r6p n GLU 32 N -0.44 2.95 0.00 0.00 1.02 -1.26 -4.71 120.64 118.20 1r6p n GLU 32 Ca 0.01 -3.95 0.00 0.00 -0.02 0.00 0.00 57.16 53.19 1r6p n GLU 32 Cb 0.53 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 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 -0.65 0.47 -2.67 1.62 8.00 -1.26 -5.02 116.55 117.04 1r6p n ASP 33 Ca 0.31 -1.01 -0.18 0.00 0.71 0.00 0.00 54.79 54.62 1r6p n ASP 33 Cb 0.90 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 42.05 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 -0.00 -0.24 3.54 0.44 0.00 -1.26 -5.00 105.19 102.66 1r6p n GLY 34 Ca 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.94 2.21 -0.39 0.00 -5.25 -0.12 -4.78 121.20 111.94 1r6p s ILE 36 Ca -0.09 -0.26 -0.20 0.00 -0.99 0.00 0.00 60.65 59.11 1r6p s ILE 36 Cb -0.01 -2.95 0.01 0.00 2.95 0.00 0.00 42.46 42.46 1r6p s ILE 36 CO 0.08 0.00 0.62 -0.55 -1.79 0.00 0.00 174.94 173.30 1r6p s SER 37 N -4.60 6.37 0.44 4.36 0.15 -1.26 -1.72 113.70 117.44 1r6p s SER 37 Ca 0.63 -0.06 0.15 0.00 0.70 0.00 0.00 55.95 57.36 1r6p s SER 37 Cb -0.09 -2.31 1.05 0.00 -1.71 0.00 0.00 66.02 62.96 1r6p s SER 37 CO 0.46 -0.64 1.96 0.71 1.20 0.00 0.00 173.24 176.93 1r6p h THR 38 N 5.74 0.86 -0.23 6.45 1.35 -1.89 0.26 112.91 125.45 1r6p h THR 38 Ca -0.26 -0.14 -0.05 0.00 -0.55 0.00 0.00 66.41 65.41 1r6p h THR 38 Cb 1.11 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1r6p h THR 38 CO 0.85 0.07 -0.08 0.11 -0.25 0.00 0.00 175.52 176.21 1r6p h LYS 39 N 0.39 0.36 -0.64 4.72 1.57 -1.92 -1.74 116.57 119.31 1r6p h LYS 39 Ca 0.30 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1r6p h LYS 39 Cb 0.65 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1r6p h LYS 39 CO -0.09 0.45 0.00 0.39 -0.57 0.00 0.00 179.45 179.64 1r6p n GLU 40 N -4.27 3.34 0.22 3.15 1.02 0.87 -4.37 120.64 120.60 1r6p n GLU 40 Ca 0.00 -2.23 0.14 0.00 -0.02 0.00 0.00 57.16 55.06 1r6p n GLU 40 Cb 0.26 -1.85 0.78 0.00 -0.02 0.00 0.00 31.44 30.62 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 3.08 0.00 -1.16 -4.62 7.12 -0.67 -0.88 115.31 118.18 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 1.30 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 41.38 1r6p h LEU 41 CO 0.24 0.00 0.58 1.23 -0.13 0.00 0.00 178.44 180.36 1r6p h GLY 42 N 0.00 1.28 2.00 3.75 0.00 -1.82 0.21 103.07 108.49 1r6p h GLY 42 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1r6p h GLY 42 CO -0.00 0.32 -0.01 0.50 0.00 0.00 0.00 176.54 177.36 1r6p h LYS 43 N 1.04 0.00 0.08 4.80 1.79 -1.50 -2.51 116.57 120.26 1r6p h LYS 43 Ca 0.37 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.63 1r6p h LYS 43 Cb 0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1r6p h LYS 43 CO -0.13 0.01 -1.05 0.28 -1.08 0.00 0.00 179.45 177.48 1r6p h VAL 44 N 0.00 1.22 -0.76 0.50 2.07 -0.73 -3.27 116.25 115.29 1r6p h VAL 44 Ca -0.00 -2.37 0.10 0.00 0.82 0.00 0.00 66.70 65.25 1r6p h VAL 44 Cb 0.42 2.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.93 1r6p h VAL 44 CO 0.00 0.62 0.39 0.24 0.02 0.00 0.00 177.57 178.84 1r6p h MET 45 N -0.56 0.63 -0.21 1.57 2.86 -0.70 0.16 114.93 118.68 1r6p h MET 45 Ca -0.23 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1r6p h MET 45 Cb 1.53 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 1r6p h MET 45 CO 0.01 0.41 -0.02 0.07 1.06 0.00 0.00 176.91 178.45 1r6p h ARG 46 N 0.65 0.31 0.01 1.72 0.11 -1.07 0.64 114.38 116.74 1r6p h ARG 46 Ca 0.38 -0.05 -0.20 0.00 0.10 0.00 0.00 59.98 60.21 1r6p h ARG 46 Cb 0.41 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 1r6p h ARG 46 CO -0.28 0.35 -0.89 0.52 0.10 0.00 0.00 179.97 179.77 1r6p h MET 47 N 0.30 0.20 0.00 0.08 2.86 -1.04 -3.21 114.93 114.12 1r6p h MET 47 Ca 0.07 -0.22 -0.16 0.00 -2.06 0.00 0.00 59.70 57.33 1r6p h MET 47 Cb 0.23 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1r6p h MET 47 CO 0.01 0.96 -0.76 -0.07 1.06 0.00 0.00 176.91 178.11 1r6p h LEU 48 N 0.11 0.00 0.00 1.22 4.07 -0.04 -3.47 115.31 117.19 1r6p h LEU 48 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1r6p h LEU 48 Cb 1.52 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.26 1r6p h LEU 48 CO 0.14 0.76 0.00 0.61 -1.08 0.00 0.00 178.44 178.86 1r6p n GLY 49 N 0.84 1.96 3.34 0.83 0.00 0.38 -5.08 105.19 107.47 1r6p n GLY 49 Ca -0.00 0.00 -0.18 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 -0.19 1.50 -0.49 1.61 -1.52 0.20 -4.99 119.66 115.77 1r6p s GLN 50 Ca 0.00 -1.83 0.06 0.00 -1.95 0.00 0.00 55.36 51.65 1r6p s GLN 50 Cb 0.00 -0.32 0.23 0.00 -0.22 0.00 0.00 33.01 32.70 1r6p s GLN 50 CO 0.00 -0.32 0.82 -1.71 -0.25 0.00 0.00 175.29 173.84 1r6p n ASN 51 N -0.61 -2.75 -2.34 5.90 5.15 -1.26 -2.36 115.26 116.98 1r6p n ASN 51 Ca -0.00 -3.18 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 1r6p n ASN 51 Cb 0.66 1.61 0.00 0.00 -0.53 0.00 0.00 39.78 41.52 1r6p n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r6p n PRO 52 N 1.89 1.59 -3.65 1.20 -0.04 -1.26 -5.11 135.00 129.62 1r6p n PRO 52 Ca 0.12 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.36 1r6p n PRO 52 Cb 0.61 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.46 2.51 0.16 0.52 -4.23 -1.26 -4.99 115.64 108.81 1r6p s THR 53 Ca 0.00 -1.39 0.14 0.00 -1.18 0.00 0.00 61.69 59.26 1r6p s THR 53 Cb 0.00 -2.91 0.03 0.00 1.34 0.00 0.00 72.50 70.96 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 1.03 0.00 0.02 3.99 0.13 -1.99 -2.04 132.00 133.15 1r6p h PRO 54 Ca -0.41 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.49 1r6p h PRO 54 Cb 1.27 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1r6p h PRO 54 CO 0.59 0.55 -1.13 1.05 -0.23 0.00 0.00 178.00 178.82 1r6p h GLU 55 N 0.00 0.04 0.13 0.86 4.11 -1.99 -2.63 114.58 115.10 1r6p h GLU 55 Ca -0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1r6p h GLU 55 Cb 1.12 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1r6p h GLU 55 CO 0.07 0.97 -0.06 1.49 0.07 0.00 0.00 179.01 181.55 1r6p h GLU 56 N 0.01 -0.17 -0.47 1.06 4.22 -1.94 -2.90 114.58 114.39 1r6p h GLU 56 Ca -0.07 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.36 1r6p h GLU 56 Cb 1.83 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 1r6p h GLU 56 CO 0.13 0.29 0.21 1.37 -2.18 0.00 0.00 179.01 178.82 1r6p h LEU 57 N -0.75 0.59 -0.95 1.64 8.10 -1.50 -2.42 115.31 120.02 1r6p h LEU 57 Ca -0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 57.88 57.90 1r6p h LEU 57 Cb 0.53 -0.15 -0.04 0.00 -0.44 0.00 0.00 40.66 40.56 1r6p h LEU 57 CO 0.03 0.53 0.52 -0.61 -4.11 0.00 0.00 178.44 174.79 1r6p h GLN 58 N 0.66 1.25 -0.75 0.17 5.75 -1.50 0.17 115.11 120.86 1r6p h GLN 58 Ca 0.16 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 1r6p h GLN 58 Cb 0.10 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 1r6p h GLN 58 CO -0.02 0.90 0.26 0.93 -2.65 0.00 0.00 178.83 178.25 1r6p h GLU 59 N 1.26 1.15 -0.31 1.69 4.39 -1.22 0.14 114.58 121.67 1r6p h GLU 59 Ca 0.32 -0.23 -0.17 0.00 0.34 0.00 0.00 59.36 59.62 1r6p h GLU 59 Cb -0.01 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1r6p h GLU 59 CO -0.06 0.96 -0.48 0.52 -1.16 0.00 0.00 179.01 178.79 1r6p h MET 60 N 1.11 0.86 -0.34 2.33 2.86 -1.23 -2.62 114.93 117.91 1r6p h MET 60 Ca 0.25 -0.52 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 1r6p h MET 60 Cb 0.27 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 1r6p h MET 60 CO -0.01 1.16 0.17 0.82 1.06 0.00 0.00 176.91 180.11 1r6p h ILE 61 N 0.65 1.15 -0.86 -1.22 1.08 -0.38 -0.11 117.51 117.83 1r6p h ILE 61 Ca 0.03 -0.43 0.04 0.00 -0.39 0.00 0.00 64.86 64.11 1r6p h ILE 61 Cb 1.08 0.81 -0.05 0.00 -3.07 0.00 0.00 36.82 35.60 1r6p h ILE 61 CO 0.11 0.16 0.56 0.44 -0.69 0.00 0.00 178.15 178.73 1r6p h ASP 62 N 0.42 0.90 -0.04 1.72 5.19 -0.71 0.41 116.42 124.30 1r6p h ASP 62 Ca 0.12 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1r6p h ASP 62 Cb 0.10 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.41 1r6p h ASP 62 CO -0.02 0.61 -0.13 -0.33 -3.12 0.00 0.00 179.24 176.26 1r6p h GLU 63 N 1.04 0.16 -0.38 3.56 5.08 -1.07 -3.29 114.58 119.69 1r6p h GLU 63 Ca 0.35 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 1r6p h GLU 63 Cb 0.08 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1r6p h GLU 63 CO -0.11 0.73 -0.23 -0.24 -1.00 0.00 0.00 179.01 178.16 1r6p h VAL 64 N -0.38 1.27 -2.51 3.13 3.04 -0.78 -3.40 116.25 116.62 1r6p h VAL 64 Ca -0.00 -1.34 -0.54 0.00 -1.01 0.00 0.00 66.70 63.81 1r6p h VAL 64 Cb 0.74 1.23 -0.05 0.00 -2.01 0.00 0.00 31.29 31.21 1r6p h VAL 64 CO 0.03 0.45 1.21 -0.62 -1.01 0.00 0.00 177.57 177.63 1r6p s ASP 65 N -6.76 5.81 0.27 3.17 -1.08 0.14 -4.86 116.67 113.36 1r6p s ASP 65 Ca -0.09 0.47 0.01 0.00 -0.52 0.00 0.00 52.55 52.42 1r6p s ASP 65 Cb 0.13 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 39.43 1r6p s ASP 65 CO 0.83 -1.93 1.72 1.05 0.52 0.00 0.00 175.17 177.37 1r6p h GLU 66 N 12.62 0.58 0.03 4.34 4.11 -1.83 -3.19 114.58 131.24 1r6p h GLU 66 Ca -0.28 -0.20 -0.32 0.00 0.07 0.00 0.00 59.36 58.63 1r6p h GLU 66 Cb 1.13 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1r6p h GLU 66 CO 1.17 0.74 -1.83 -0.40 0.07 0.00 0.00 179.01 178.76 1r6p n ASP 67 N -4.14 1.18 -1.65 3.06 5.75 -1.26 -5.01 116.55 114.48 1r6p n ASP 67 Ca 0.00 0.33 -0.06 0.00 -0.01 0.00 0.00 54.79 55.06 1r6p n ASP 67 Cb 0.38 -0.23 0.03 0.00 -1.03 0.00 0.00 41.12 40.27 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 1.69 0.29 0.28 6.12 0.00 -1.21 -4.95 105.19 107.41 1r6p n GLY 68 Ca -0.22 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.12 0.86 -0.32 1.61 3.41 -1.26 -4.90 113.62 111.91 1r6p n SER 69 Ca -0.06 -1.31 -0.03 0.00 -0.26 0.00 0.00 58.87 57.21 1r6p n SER 69 Cb 0.54 -0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.48 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 1.09 0.48 3.07 5.00 0.00 -1.26 -5.03 105.19 108.54 1r6p n GLY 70 Ca 0.21 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.15 -0.00 -0.34 2.61 -4.23 -1.26 -3.19 115.64 107.08 1r6p s THR 71 Ca 0.00 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.37 1r6p s THR 71 Cb 0.00 -0.29 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 1r6p s THR 71 CO 0.00 0.01 0.38 -0.69 -0.54 0.00 0.00 174.62 173.78 1r6p s VAL 72 N 0.23 5.15 0.75 2.29 1.01 -0.70 -4.86 120.40 124.28 1r6p s VAL 72 Ca -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1r6p s VAL 72 Cb -0.02 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.58 1r6p s VAL 72 CO -0.01 -0.09 1.11 -1.81 0.00 0.00 0.00 175.10 174.31 1r6p s ASP 73 N 1.73 4.90 0.27 3.32 1.01 -1.26 -0.95 116.67 125.69 1r6p s ASP 73 Ca 0.13 0.84 -0.03 0.00 0.71 0.00 0.00 52.55 54.19 1r6p s ASP 73 Cb -0.16 -1.47 0.37 0.00 1.01 0.00 0.00 42.92 42.67 1r6p s ASP 73 CO 0.12 -1.64 1.91 0.15 0.21 0.00 0.00 175.17 175.91 1r6p h PHE 74 N -0.82 1.20 -0.37 4.23 3.57 -1.98 0.84 116.94 123.61 1r6p h PHE 74 Ca -0.45 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 60.99 1r6p h PHE 74 Cb 1.30 -0.40 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 1r6p h PHE 74 CO 0.38 0.68 -0.11 0.38 -2.23 0.00 0.00 178.31 177.41 1r6p h ASP 75 N 1.23 0.62 1.71 0.41 2.03 -1.97 -2.06 116.42 118.40 1r6p h ASP 75 Ca 0.40 -0.17 -0.05 0.00 -0.73 0.00 0.00 57.03 56.47 1r6p h ASP 75 Cb 0.04 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.37 1r6p h ASP 75 CO -0.13 0.76 -0.26 -0.33 -1.03 0.00 0.00 179.24 178.26 1r6p h GLU 76 N 0.59 0.00 0.27 4.15 5.08 -1.59 -3.03 114.58 120.05 1r6p h GLU 76 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1r6p h GLU 76 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1r6p h GLU 76 CO 0.03 0.26 -0.13 0.35 -1.00 0.00 0.00 179.01 178.52 1r6p h PHE 77 N 0.00 -0.33 -0.63 4.33 3.57 0.13 -0.89 116.94 123.12 1r6p h PHE 77 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1r6p h PHE 77 Cb 1.18 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.00 1r6p h PHE 77 CO 0.00 0.02 0.21 -0.07 -2.23 0.00 0.00 178.31 176.25 1r6p h LEU 78 N -0.79 0.87 -0.08 0.59 3.38 -1.50 -2.86 115.31 114.92 1r6p h LEU 78 Ca -0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1r6p h LEU 78 Cb 0.51 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1r6p h LEU 78 CO 0.06 0.80 0.02 0.58 0.09 0.00 0.00 178.44 179.99 1r6p h VAL 79 N 0.91 1.18 -1.09 1.22 2.07 -1.56 -2.69 116.25 116.29 1r6p h VAL 79 Ca 0.21 -0.54 0.32 0.00 0.82 0.00 0.00 66.70 67.50 1r6p h VAL 79 Cb 0.23 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1r6p h VAL 79 CO -0.01 0.15 0.88 -0.03 0.02 0.00 0.00 177.57 178.58 1r6p h MET 80 N -0.07 0.00 0.53 1.57 4.05 -0.92 -0.18 114.93 119.91 1r6p h MET 80 Ca 0.03 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1r6p h MET 80 Cb 0.22 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.03 1r6p h MET 80 CO -0.00 0.00 -0.25 1.98 0.23 0.00 0.00 176.91 178.87 1r6p h MET 81 N 0.00 -0.68 0.00 0.39 -1.53 -1.43 -1.17 114.93 110.50 1r6p h MET 81 Ca 0.52 0.05 -0.05 0.00 -3.44 0.00 0.00 59.70 56.77 1r6p h MET 81 Cb 2.28 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 33.47 1r6p h MET 81 CO -0.01 -0.39 -0.25 -0.39 0.14 0.00 0.00 176.91 176.01 1r6p h VAL 82 N -0.87 1.03 -0.76 -5.77 -1.51 -1.19 -0.96 116.25 106.21 1r6p h VAL 82 Ca -0.07 -0.89 -0.05 0.00 -1.23 0.00 0.00 66.70 64.45 1r6p h VAL 82 Cb 0.61 1.50 -0.03 0.00 -2.13 0.00 0.00 31.29 31.23 1r6p h VAL 82 CO 0.12 0.24 0.28 0.03 -1.23 0.00 0.00 177.57 177.01 1r6p h ARG 83 N 0.00 1.15 0.04 5.19 2.47 -0.90 0.58 114.38 122.91 1r6p h ARG 83 Ca -0.00 -0.22 -0.20 0.00 -1.26 0.00 0.00 59.98 58.30 1r6p h ARG 83 Cb 0.48 -0.18 0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1r6p h ARG 83 CO 0.03 0.95 -0.79 0.00 0.56 0.00 0.00 179.97 180.72 1r6p h MET 85 N -0.02 0.74 -1.98 0.00 1.85 -1.07 -3.49 114.93 110.95 1r6p h MET 85 Ca -0.11 -0.22 0.00 0.00 -0.61 0.00 0.00 59.70 58.76 1r6p h MET 85 Cb 1.51 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 33.47 1r6p h MET 85 CO 0.15 0.79 -0.12 1.17 -0.40 0.00 0.00 176.91 178.50 1r6p n LYS 86 N -4.44 -0.68 -1.26 0.39 3.00 0.20 -4.90 118.16 110.46 1r6p n LYS 86 Ca -0.00 0.93 -0.31 0.00 -0.00 0.00 0.00 58.31 58.93 1r6p n LYS 86 Cb 0.27 -0.84 0.11 0.00 0.00 0.00 0.00 35.03 34.57 1r6p n LYS 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1r6p n ASP 87 N 0.24 6.49 -2.69 3.14 9.92 -1.26 -4.38 116.55 128.01 1r6p n ASP 87 Ca 0.00 -3.68 -0.06 0.00 -0.53 0.00 0.00 54.79 50.52 1r6p n ASP 87 Cb 0.00 -0.94 0.08 0.00 -0.64 0.00 0.00 41.12 39.62 1r6p n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1r6p n ASP 88 N -0.90 -1.73 0.00 -2.24 2.03 -1.26 -4.84 116.55 107.60 1r6p n ASP 88 Ca 0.60 -2.53 0.13 0.00 0.52 0.00 0.00 54.79 53.51 1r6p n ASP 88 Cb 0.94 1.32 0.78 0.00 -0.72 0.00 0.00 41.12 43.44 1r6p n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74