#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r2u n ASN 2 N 0.00 -2.42 -0.61 7.83 5.03 -1.26 -4.89 115.26 118.94 1r2u n ASN 2 Ca 0.00 -0.77 0.12 0.00 0.87 0.00 0.00 54.58 54.80 1r2u n ASN 2 Cb 0.00 -4.21 0.14 0.00 -1.02 0.00 0.00 39.78 34.69 1r2u n ASN 2 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1r2u n ASP 3 N -3.01 2.15 0.21 6.41 8.00 -1.26 -4.19 116.55 124.85 1r2u n ASP 3 Ca -0.20 -1.58 0.07 0.00 0.71 0.00 0.00 54.79 53.78 1r2u n ASP 3 Cb 0.64 0.22 0.47 0.00 -0.02 0.00 0.00 41.12 42.43 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1r2u h ILE 4 N 2.99 0.89 -0.09 0.53 -2.65 -1.90 -1.87 117.51 115.41 1r2u h ILE 4 Ca 0.00 -1.11 -0.17 0.00 1.03 0.00 0.00 64.86 64.61 1r2u h ILE 4 Cb 0.77 1.66 -0.01 0.00 -2.05 0.00 0.00 36.82 37.20 1r2u h ILE 4 CO 0.00 0.28 -0.66 1.88 0.03 0.00 0.00 178.15 179.68 1r2u h TYR 5 N 0.00 0.48 -0.08 0.16 0.05 -1.94 -0.61 116.97 115.04 1r2u h TYR 5 Ca -0.00 -0.20 -0.20 0.00 0.05 0.00 0.00 58.73 58.38 1r2u h TYR 5 Cb 0.64 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 1r2u h TYR 5 CO 0.00 0.92 -0.78 0.87 -1.05 0.00 0.00 178.16 178.12 1r2u h LYS 6 N 0.27 0.48 0.00 4.88 1.79 -1.71 0.19 116.57 122.47 1r2u h LYS 6 Ca -0.02 -0.42 -0.12 0.00 -2.18 0.00 0.00 60.65 57.92 1r2u h LYS 6 Cb 1.20 0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1r2u h LYS 6 CO 0.11 1.05 -0.57 0.00 -1.08 0.00 0.00 179.45 178.96 1r2u h ALA 7 N 0.82 0.86 0.17 3.86 0.00 -1.28 -3.13 119.26 120.56 1r2u h ALA 7 Ca -0.04 -0.52 -0.35 0.00 0.00 0.00 0.00 54.91 53.99 1r2u h ALA 7 Cb 1.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1r2u h ALA 7 CO 0.14 0.71 -1.81 0.00 0.00 0.00 0.00 179.25 178.29 1r2u h ALA 8 N 1.43 0.23 -0.05 0.00 0.00 -1.02 -3.32 119.26 116.53 1r2u h ALA 8 Ca -0.01 -1.21 0.01 0.00 0.00 0.00 0.00 54.91 53.71 1r2u h ALA 8 Cb 1.15 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 1r2u h ALA 8 CO 0.07 1.09 0.05 -0.24 0.00 0.00 0.00 179.25 180.23 1r2u h VAL 9 N 0.08 0.69 0.00 0.00 3.04 -0.69 0.84 116.25 120.21 1r2u h VAL 9 Ca -0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1r2u h VAL 9 Cb 2.07 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 1r2u h VAL 9 CO 0.15 0.00 -0.28 -0.62 -1.01 0.00 0.00 177.57 175.81 1r2u n GLU 10 N -4.10 0.11 -0.10 4.17 1.02 -1.18 -3.96 120.64 116.60 1r2u n GLU 10 Ca -0.02 0.06 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 1r2u n GLU 10 Cb 0.14 -1.60 -0.15 0.00 -0.02 0.00 0.00 31.44 29.82 1r2u n GLU 10 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1r2u n GLN 11 N -1.77 0.74 -1.44 3.49 1.13 0.13 -5.00 117.38 114.65 1r2u n GLN 11 Ca 0.05 0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.85 1r2u n GLN 11 Cb 0.38 -1.51 0.13 0.00 0.11 0.00 0.00 30.24 29.35 1r2u n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1r2u s LEU 12 N -5.67 2.15 0.42 1.08 0.05 -0.28 -5.09 118.68 111.34 1r2u s LEU 12 Ca -0.15 1.17 0.04 0.00 0.05 0.00 0.00 54.13 55.24 1r2u s LEU 12 Cb 0.06 -3.57 -0.02 0.00 -2.05 0.00 0.00 46.19 40.62 1r2u s LEU 12 CO 0.77 -2.48 0.15 0.42 -0.55 0.00 0.00 176.35 174.65 1r2u s THR 13 N -3.15 0.49 0.48 5.48 -4.23 -1.26 -4.99 115.64 108.47 1r2u s THR 13 Ca 0.63 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.28 1r2u s THR 13 Cb -0.16 -2.30 0.24 0.00 1.34 0.00 0.00 72.50 71.62 1r2u s THR 13 CO 0.55 0.00 2.08 -0.78 -0.54 0.00 0.00 174.62 175.93 1r2u h ASP 14 N 1.75 0.06 -0.52 3.99 3.58 -2.00 -1.39 116.42 121.89 1r2u h ASP 14 Ca -0.34 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.01 1r2u h ASP 14 Cb 1.27 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1r2u h ASP 14 CO 0.54 0.11 -0.06 -0.33 -2.88 0.00 0.00 179.24 176.61 1r2u h GLU 15 N 0.06 0.99 -0.02 0.28 4.39 -1.98 -1.93 114.58 116.37 1r2u h GLU 15 Ca 0.02 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1r2u h GLU 15 Cb 0.11 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1r2u h GLU 15 CO 0.01 1.01 -0.07 1.96 -1.16 0.00 0.00 179.01 180.75 1r2u h GLN 16 N 0.89 -0.10 -0.67 2.33 1.08 -1.64 0.20 115.11 117.19 1r2u h GLN 16 Ca 0.15 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1r2u h GLN 16 Cb 0.60 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1r2u h GLN 16 CO 0.04 -0.07 0.44 0.87 -0.95 0.00 0.00 178.83 179.16 1r2u h LYS 17 N -0.11 0.75 -0.42 1.46 1.57 -1.41 -0.11 116.57 118.31 1r2u h LYS 17 Ca 0.03 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1r2u h LYS 17 Cb 0.15 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1r2u h LYS 17 CO -0.09 0.50 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.32 1r2u h ASN 18 N 0.77 0.69 0.37 0.86 2.35 -0.43 0.16 115.58 120.35 1r2u h ASN 18 Ca 0.27 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1r2u h ASN 18 Cb 0.11 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1r2u h ASN 18 CO -0.08 0.79 -0.18 -0.33 -1.65 0.00 0.00 177.43 175.99 1r2u h GLU 19 N 0.66 -0.49 -0.70 0.81 5.08 0.11 -0.77 114.58 119.28 1r2u h GLU 19 Ca 0.12 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1r2u h GLU 19 Cb 0.49 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1r2u h GLU 19 CO 0.03 -0.20 0.28 0.74 -1.00 0.00 0.00 179.01 178.85 1r2u h PHE 20 N -0.74 1.05 -0.43 4.33 0.04 -1.24 -0.42 116.94 119.53 1r2u h PHE 20 Ca -0.05 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 1r2u h PHE 20 Cb 0.51 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 1r2u h PHE 20 CO 0.00 0.80 0.26 -0.22 -0.60 0.00 0.00 178.31 178.55 1r2u h LYS 21 N 1.01 0.59 -0.39 1.51 1.63 -0.63 0.85 116.57 121.15 1r2u h LYS 21 Ca 0.24 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.92 1r2u h LYS 21 Cb 0.20 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1r2u h LYS 21 CO -0.02 0.44 0.02 0.00 -3.45 0.00 0.00 179.45 176.44 1r2u h ALA 22 N 1.12 0.53 0.00 5.00 0.00 -0.84 0.29 119.26 125.36 1r2u h ALA 22 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1r2u h ALA 22 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1r2u h ALA 22 CO -0.03 0.28 -0.06 0.00 0.00 0.00 0.00 179.25 179.45 1r2u h ALA 23 N 0.89 1.31 0.00 0.00 0.00 -0.76 -1.65 119.26 119.05 1r2u h ALA 23 Ca 0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1r2u h ALA 23 Cb 0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1r2u h ALA 23 CO 0.02 0.07 -0.56 0.35 0.00 0.00 0.00 179.25 179.13 1r2u h PHE 24 N 0.00 0.00 -0.96 0.00 3.57 -0.29 -3.38 116.94 115.89 1r2u h PHE 24 Ca -0.00 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.68 1r2u h PHE 24 Cb 0.18 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.82 1r2u h PHE 24 CO 0.00 0.54 0.55 -0.44 -2.23 0.00 0.00 178.31 176.73 1r2u h ASP 25 N -1.00 0.69 -0.88 0.41 5.19 -0.35 -0.10 116.42 120.37 1r2u h ASP 25 Ca -0.10 0.10 0.12 0.00 -0.62 0.00 0.00 57.03 56.54 1r2u h ASP 25 Cb 0.69 -0.02 -0.07 0.00 0.18 0.00 0.00 39.33 40.12 1r2u h ASP 25 CO -0.06 0.24 0.57 0.16 -3.12 0.00 0.00 179.24 177.03 1r2u h ILE 26 N 0.70 0.89 0.00 0.35 3.07 -1.49 -1.38 117.51 119.65 1r2u h ILE 26 Ca 0.55 -0.26 -0.16 0.00 1.55 0.00 0.00 64.86 66.54 1r2u h ILE 26 Cb 0.85 0.06 -0.03 0.00 -0.27 0.00 0.00 36.82 37.43 1r2u h ILE 26 CO -0.39 0.14 -1.20 -0.26 -1.05 0.00 0.00 178.15 175.39 1r2u h PHE 27 N 0.76 0.00 -0.64 0.16 0.04 -1.28 -3.33 116.94 112.64 1r2u h PHE 27 Ca 0.43 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.84 1r2u h PHE 27 Cb 0.59 0.00 -0.20 0.00 2.20 0.00 0.00 35.95 38.54 1r2u h PHE 27 CO -0.00 0.59 0.46 -0.89 -0.60 0.00 0.00 178.31 177.88 1r2u n ILE 28 N -2.99 2.60 0.12 -0.55 2.08 -0.21 -4.32 119.36 116.09 1r2u n ILE 28 Ca -0.07 -1.46 -0.02 0.00 0.56 0.00 0.00 62.75 61.75 1r2u n ILE 28 Cb 0.83 -0.83 0.18 0.00 -0.75 0.00 0.00 39.64 39.06 1r2u n ILE 28 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 1r2u h GLN 29 N 0.92 0.09 -0.21 0.38 3.07 -1.58 -3.36 115.11 114.42 1r2u h GLN 29 Ca 0.41 -0.06 -0.21 0.00 0.09 0.00 0.00 58.65 58.88 1r2u h GLN 29 Cb 1.84 0.01 -0.25 0.00 0.08 0.00 0.00 27.48 29.16 1r2u h GLN 29 CO 0.80 0.64 -0.62 -3.47 0.09 0.00 0.00 178.83 176.27 1r2u n ASP 30 N -3.87 -0.32 -4.77 0.06 2.03 -1.26 -5.14 116.55 103.29 1r2u n ASP 30 Ca -0.02 -2.21 -0.32 0.00 0.52 0.00 0.00 54.79 52.76 1r2u n ASP 30 Cb 0.59 0.26 0.07 0.00 -0.72 0.00 0.00 41.12 41.32 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1r2u s ALA 31 N -1.38 2.34 -0.02 -1.67 0.00 -1.26 -4.98 121.76 114.79 1r2u s ALA 31 Ca 0.18 0.40 -0.24 0.00 0.00 0.00 0.00 51.96 52.29 1r2u s ALA 31 Cb 0.40 -3.30 -0.18 0.00 0.00 0.00 0.00 23.12 20.04 1r2u s ALA 31 CO -0.08 -1.56 1.15 0.93 0.00 0.00 0.00 175.76 176.20 1r2u h GLU 32 N -0.61 -0.15 0.00 0.00 5.08 -1.96 -3.39 114.58 113.54 1r2u h GLU 32 Ca -0.45 0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 57.60 1r2u h GLU 32 Cb 1.24 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1r2u h GLU 32 CO 0.52 0.28 -2.22 -3.47 -1.00 0.00 0.00 179.01 173.13 1r2u n ASP 33 N -4.94 1.67 0.00 1.42 -0.08 -1.26 -5.02 116.55 108.34 1r2u n ASP 33 Ca -0.09 -0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1r2u n ASP 33 Cb 0.26 0.18 0.00 0.00 2.34 0.00 0.00 41.12 43.90 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1r2u n GLY 34 N 2.24 0.69 3.45 0.27 0.00 -1.26 -5.16 105.19 105.42 1r2u n GLY 34 Ca -0.34 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u s ILE 36 N -3.21 2.67 0.17 0.00 -5.25 -1.05 -4.75 121.20 109.78 1r2u s ILE 36 Ca 0.32 -1.26 -0.06 0.00 -0.99 0.00 0.00 60.65 58.66 1r2u s ILE 36 Cb 0.00 -2.93 -0.06 0.00 2.95 0.00 0.00 42.46 42.43 1r2u s ILE 36 CO 0.20 0.00 0.42 -0.55 -1.79 0.00 0.00 174.94 173.23 1r2u s SER 37 N -4.21 6.51 0.21 4.36 0.15 -1.26 -0.27 113.70 119.19 1r2u s SER 37 Ca 0.50 0.65 -0.10 0.00 0.70 0.00 0.00 55.95 57.70 1r2u s SER 37 Cb -0.05 -2.12 0.22 0.00 -1.71 0.00 0.00 66.02 62.37 1r2u s SER 37 CO 0.29 0.01 1.82 0.71 1.20 0.00 0.00 173.24 177.26 1r2u h THR 38 N 1.97 1.00 0.00 6.45 1.35 -1.92 -0.44 112.91 121.32 1r2u h THR 38 Ca -0.46 -0.25 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1r2u h THR 38 Cb 1.17 0.22 -0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1r2u h THR 38 CO 0.71 0.13 -0.16 0.07 -0.25 0.00 0.00 175.52 176.02 1r2u h LYS 39 N 0.72 0.00 -0.00 4.72 2.10 -1.94 -2.21 116.57 119.94 1r2u h LYS 39 Ca 0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.94 1r2u h LYS 39 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1r2u h LYS 39 CO -0.16 0.16 -0.01 0.39 -2.00 0.00 0.00 179.45 177.83 1r2u n GLU 40 N -3.53 1.15 -0.33 0.07 1.02 -0.20 -3.96 120.64 114.86 1r2u n GLU 40 Ca -0.01 -0.32 -0.01 0.00 -0.02 0.00 0.00 57.16 56.80 1r2u n GLU 40 Cb 0.31 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.35 1r2u n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r2u h LEU 41 N 0.77 0.96 -2.98 -4.62 7.12 -1.09 -0.76 115.31 114.71 1r2u h LEU 41 Ca 0.00 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.00 1r2u h LEU 41 Cb 0.20 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1r2u h LEU 41 CO 0.00 0.66 -0.00 1.23 -0.13 0.00 0.00 178.44 180.20 1r2u h GLY 42 N 1.12 0.00 0.78 3.75 0.00 -1.80 -2.23 103.07 104.69 1r2u h GLY 42 Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.39 1r2u h GLY 42 CO -0.12 0.00 -1.44 1.70 0.00 0.00 0.00 176.54 176.68 1r2u h LYS 43 N 0.00 0.34 -0.27 4.80 1.63 -1.41 -3.31 116.57 118.36 1r2u h LYS 43 Ca -0.00 -0.58 -0.07 0.00 -0.85 0.00 0.00 60.65 59.14 1r2u h LYS 43 Cb 0.00 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 1r2u h LYS 43 CO 0.00 1.28 -0.15 -0.39 -3.45 0.00 0.00 179.45 176.74 1r2u h VAL 44 N -0.13 1.23 -0.47 2.00 -1.51 -1.16 -2.48 116.25 113.74 1r2u h VAL 44 Ca -0.29 -1.05 -0.02 0.00 -1.23 0.00 0.00 66.70 64.12 1r2u h VAL 44 Cb 1.90 1.20 -0.02 0.00 -2.13 0.00 0.00 31.29 32.24 1r2u h VAL 44 CO 0.14 0.34 0.20 0.24 -1.23 0.00 0.00 177.57 177.26 1r2u h MET 45 N 0.42 0.66 -0.49 5.19 2.86 -1.56 0.12 114.93 122.13 1r2u h MET 45 Ca 0.08 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1r2u h MET 45 Cb 0.52 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1r2u h MET 45 CO 0.03 0.53 -0.03 0.00 1.06 0.00 0.00 176.91 178.51 1r2u h ARG 46 N 0.66 0.84 0.07 1.72 2.47 -1.47 -0.08 114.38 118.58 1r2u h ARG 46 Ca 0.16 -0.25 -0.26 0.00 -1.26 0.00 0.00 59.98 58.37 1r2u h ARG 46 Cb 0.11 -0.09 0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1r2u h ARG 46 CO -0.02 0.86 -1.11 0.52 0.56 0.00 0.00 179.97 180.78 1r2u h MET 47 N 0.78 0.47 0.78 0.04 2.86 -1.24 -3.36 114.93 115.25 1r2u h MET 47 Ca 0.14 -0.60 -0.04 0.00 -2.06 0.00 0.00 59.70 57.15 1r2u h MET 47 Cb 0.51 0.19 0.01 0.00 0.06 0.00 0.00 31.60 32.37 1r2u h MET 47 CO 0.03 1.24 -0.37 -0.07 1.06 0.00 0.00 176.91 178.79 1r2u h LEU 48 N 0.22 -0.88 0.00 1.22 3.38 -0.66 -3.48 115.31 115.12 1r2u h LEU 48 Ca -0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1r2u h LEU 48 Cb 1.78 0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1r2u h LEU 48 CO 0.20 -0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.78 1r2u n GLY 49 N -1.07 -0.01 3.58 0.83 0.00 -0.67 -5.09 105.19 102.76 1r2u n GLY 49 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1r2u n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r2u s GLN 50 N 0.00 1.46 -0.42 1.61 -0.21 -0.13 -5.04 119.66 116.92 1r2u s GLN 50 Ca 0.00 -0.90 0.06 0.00 0.02 0.00 0.00 55.36 54.54 1r2u s GLN 50 Cb 0.00 0.53 0.22 0.00 1.00 0.00 0.00 33.01 34.76 1r2u s GLN 50 CO 0.00 -0.63 0.54 -1.71 -2.12 0.00 0.00 175.29 171.37 1r2u n ASN 51 N -0.37 -0.83 -2.14 5.90 2.85 -1.26 -3.43 115.26 115.98 1r2u n ASN 51 Ca -0.09 -2.70 0.00 0.00 -0.11 0.00 0.00 54.58 51.68 1r2u n ASN 51 Cb 0.62 -0.03 0.00 0.00 1.24 0.00 0.00 39.78 41.61 1r2u n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1r2u n PRO 52 N 2.03 0.42 -3.86 1.20 -0.04 -1.26 -5.11 135.00 128.38 1r2u n PRO 52 Ca 0.22 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.46 1r2u n PRO 52 Cb 0.53 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.94 1r2u n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1r2u s THR 53 N -0.47 2.92 0.28 0.52 -4.23 -1.26 -4.98 115.64 108.42 1r2u s THR 53 Ca 0.00 -1.50 0.18 0.00 -1.18 0.00 0.00 61.69 59.18 1r2u s THR 53 Cb 0.00 -3.04 0.13 0.00 1.34 0.00 0.00 72.50 70.94 1r2u s THR 53 CO 0.00 -0.09 1.81 1.55 -0.54 0.00 0.00 174.62 177.34 1r2u h PRO 54 N 1.29 0.00 0.11 3.99 0.13 -1.99 -1.40 132.00 134.13 1r2u h PRO 54 Ca -0.43 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.41 1r2u h PRO 54 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1r2u h PRO 54 CO 0.61 0.35 -1.40 0.93 -0.23 0.00 0.00 178.00 178.27 1r2u h GLU 55 N 0.00 0.23 0.43 0.86 5.08 -1.99 -2.90 114.58 116.29 1r2u h GLU 55 Ca -0.00 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 1r2u h GLU 55 Cb 0.75 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1r2u h GLU 55 CO 0.05 1.12 -0.21 0.93 -1.00 0.00 0.00 179.01 179.90 1r2u h GLU 56 N 0.06 -0.56 -0.07 2.33 4.39 -1.92 -3.14 114.58 115.68 1r2u h GLU 56 Ca -0.19 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.57 1r2u h GLU 56 Cb 1.98 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 30.76 1r2u h GLU 56 CO 0.17 -0.26 0.05 1.37 -1.16 0.00 0.00 179.01 179.19 1r2u h LEU 57 N -0.99 0.00 -0.35 1.33 8.10 -1.42 -2.43 115.31 119.55 1r2u h LEU 57 Ca -0.06 0.00 0.06 0.00 0.11 0.00 0.00 57.88 57.99 1r2u h LEU 57 Cb 0.56 0.00 -0.06 0.00 -0.44 0.00 0.00 40.66 40.72 1r2u h LEU 57 CO 0.10 0.00 -0.00 -0.61 -4.11 0.00 0.00 178.44 173.82 1r2u h GLN 58 N 0.00 0.09 -0.71 0.17 -0.00 -1.46 -0.01 115.11 113.19 1r2u h GLN 58 Ca 0.03 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.63 1r2u h GLN 58 Cb 0.14 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.56 1r2u h GLN 58 CO -0.00 0.06 0.27 0.93 0.00 0.00 0.00 178.83 180.09 1r2u h GLU 59 N 0.09 1.06 -0.55 1.69 4.39 -1.43 -2.73 114.58 117.11 1r2u h GLU 59 Ca 0.17 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1r2u h GLU 59 Cb 0.23 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1r2u h GLU 59 CO -0.28 0.87 0.35 0.52 -1.16 0.00 0.00 179.01 179.30 1r2u h MET 60 N 1.04 0.73 0.04 2.33 2.86 -1.19 -1.38 114.93 119.35 1r2u h MET 60 Ca 0.24 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1r2u h MET 60 Cb 0.22 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1r2u h MET 60 CO -0.02 0.50 -0.03 0.82 1.06 0.00 0.00 176.91 179.24 1r2u h ILE 61 N 0.74 0.00 -1.03 -1.22 2.04 -0.74 -0.20 117.51 117.10 1r2u h ILE 61 Ca 0.20 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.31 1r2u h ILE 61 Cb -0.05 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 35.93 1r2u h ILE 61 CO -0.04 0.00 0.65 0.44 0.00 0.00 0.00 178.15 179.20 1r2u h ASP 62 N -0.07 0.49 0.06 1.72 3.32 -1.55 0.36 116.42 120.76 1r2u h ASP 62 Ca -0.00 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1r2u h ASP 62 Cb 0.06 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1r2u h ASP 62 CO -0.00 0.11 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.26 1r2u h GLU 63 N 0.44 -0.08 0.00 3.56 5.08 -0.96 -3.03 114.58 119.59 1r2u h GLU 63 Ca 0.59 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.87 1r2u h GLU 63 Cb 1.41 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1r2u h GLU 63 CO -0.32 0.06 -0.40 -0.39 -1.00 0.00 0.00 179.01 176.96 1r2u h VAL 64 N -0.20 0.81 -0.68 3.13 -1.51 0.37 -3.40 116.25 114.76 1r2u h VAL 64 Ca -0.01 -1.76 -0.33 0.00 -1.23 0.00 0.00 66.70 63.37 1r2u h VAL 64 Cb 0.18 2.13 -0.05 0.00 -2.13 0.00 0.00 31.29 31.41 1r2u h VAL 64 CO 0.01 0.40 0.90 -0.62 -1.23 0.00 0.00 177.57 177.03 1r2u s ASP 65 N -6.40 5.23 0.19 4.19 -1.08 0.11 -4.63 116.67 114.28 1r2u s ASP 65 Ca 0.02 -1.02 -0.12 0.00 -0.52 0.00 0.00 52.55 50.91 1r2u s ASP 65 Cb 0.09 -2.57 0.10 0.00 -1.46 0.00 0.00 42.92 39.09 1r2u s ASP 65 CO 0.70 -2.73 1.80 -0.33 0.52 0.00 0.00 175.17 175.14 1r2u h GLU 66 N 10.71 0.89 0.13 4.34 5.08 -1.82 -3.07 114.58 130.84 1r2u h GLU 66 Ca 0.14 -0.10 -0.29 0.00 -1.00 0.00 0.00 59.36 58.12 1r2u h GLU 66 Cb 0.98 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1r2u h GLU 66 CO 1.23 0.67 -1.34 0.38 -1.00 0.00 0.00 179.01 178.95 1r2u h ASP 67 N 0.88 0.42 -3.71 1.42 3.04 -1.96 -3.49 116.42 113.02 1r2u h ASP 67 Ca 0.23 -0.49 -0.13 0.00 -3.24 0.00 0.00 57.03 53.40 1r2u h ASP 67 Cb 0.03 -0.14 0.08 0.00 -1.04 0.00 0.00 39.33 38.26 1r2u h ASP 67 CO -0.04 1.39 -0.34 0.61 -2.04 0.00 0.00 179.24 178.82 1r2u n GLY 68 N 1.58 0.08 0.11 7.15 0.00 -1.16 -5.00 105.19 107.94 1r2u n GLY 68 Ca -0.11 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1r2u n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r2u h SER 69 N -0.69 0.01 0.00 1.61 4.64 -1.94 -3.49 113.55 113.70 1r2u h SER 69 Ca -0.25 -0.53 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1r2u h SER 69 Cb 1.14 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1r2u h SER 69 CO 0.20 1.50 0.00 0.61 -0.87 0.00 0.00 176.83 178.27 1r2u n GLY 70 N 1.45 0.92 3.69 -0.77 0.00 -1.26 -5.14 105.19 104.08 1r2u n GLY 70 Ca -0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1r2u n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r2u s THR 71 N 0.00 3.99 -0.23 2.61 -4.23 -1.26 -3.25 115.64 113.27 1r2u s THR 71 Ca 0.00 -1.04 -0.17 0.00 -1.18 0.00 0.00 61.69 59.29 1r2u s THR 71 Cb 0.00 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 1r2u s THR 71 CO 0.00 0.09 0.47 -0.69 -0.54 0.00 0.00 174.62 173.95 1r2u s VAL 72 N -1.36 5.12 0.76 2.29 1.01 0.63 -4.88 120.40 123.97 1r2u s VAL 72 Ca 0.26 0.83 -0.08 0.00 0.00 0.00 0.00 61.98 62.99 1r2u s VAL 72 Cb -0.11 -3.80 0.09 0.00 0.00 0.00 0.00 36.38 32.57 1r2u s VAL 72 CO 0.18 0.16 1.08 -1.81 0.00 0.00 0.00 175.10 174.72 1r2u s ASP 73 N 1.31 4.44 0.32 3.32 1.01 -1.26 -2.53 116.67 123.27 1r2u s ASP 73 Ca 0.21 0.37 0.01 0.00 0.71 0.00 0.00 52.55 53.85 1r2u s ASP 73 Cb -0.15 -0.86 0.53 0.00 1.01 0.00 0.00 42.92 43.44 1r2u s ASP 73 CO 0.09 -1.86 1.90 0.15 0.21 0.00 0.00 175.17 175.67 1r2u h PHE 74 N -0.82 0.78 -0.48 4.23 3.57 -1.98 0.54 116.94 122.78 1r2u h PHE 74 Ca -0.44 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 60.91 1r2u h PHE 74 Cb 1.30 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 1r2u h PHE 74 CO 0.02 0.60 -0.14 -0.44 -2.23 0.00 0.00 178.31 176.12 1r2u h ASP 75 N 0.77 0.92 1.81 0.41 5.19 -1.99 -1.41 116.42 122.13 1r2u h ASP 75 Ca 0.18 -0.31 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1r2u h ASP 75 Cb 0.15 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.41 1r2u h ASP 75 CO -0.02 1.06 -0.10 -0.33 -3.12 0.00 0.00 179.24 176.73 1r2u h GLU 76 N 0.82 0.00 0.04 3.56 5.08 -1.66 -2.79 114.58 119.62 1r2u h GLU 76 Ca 0.12 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.23 1r2u h GLU 76 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1r2u h GLU 76 CO 0.05 0.10 -1.06 0.35 -1.00 0.00 0.00 179.01 177.45 1r2u h PHE 77 N 0.00 0.80 0.21 4.33 3.57 0.47 -3.22 116.94 123.10 1r2u h PHE 77 Ca -0.00 -0.46 -0.32 0.00 3.53 0.00 0.00 57.97 60.72 1r2u h PHE 77 Cb 1.04 -0.08 0.02 0.00 2.79 0.00 0.00 35.95 39.72 1r2u h PHE 77 CO 0.00 1.30 -1.44 -0.07 -2.23 0.00 0.00 178.31 175.87 1r2u h LEU 78 N 0.27 0.69 -2.39 0.59 3.38 -1.31 -3.27 115.31 113.26 1r2u h LEU 78 Ca -0.12 -0.76 -0.00 0.00 0.09 0.00 0.00 57.88 57.09 1r2u h LEU 78 Cb 1.72 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1r2u h LEU 78 CO 0.19 1.60 -0.02 -0.37 0.09 0.00 0.00 178.44 179.94 1r2u h VAL 79 N 0.12 0.55 -1.37 1.22 -1.51 -1.61 -2.69 116.25 110.96 1r2u h VAL 79 Ca -0.23 -0.07 0.41 0.00 -1.23 0.00 0.00 66.70 65.59 1r2u h VAL 79 Cb 2.10 1.04 -0.09 0.00 -2.13 0.00 0.00 31.29 32.21 1r2u h VAL 79 CO 0.24 0.02 0.94 0.24 -1.23 0.00 0.00 177.57 177.78 1r2u h MET 80 N 0.00 0.10 0.03 5.19 2.86 -1.61 0.59 114.93 122.09 1r2u h MET 80 Ca -0.00 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 1r2u h MET 80 Cb 0.04 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1r2u h MET 80 CO 0.00 0.06 -0.17 0.52 1.06 0.00 0.00 176.91 178.38 1r2u h MET 81 N 0.10 0.07 0.00 1.72 2.86 -1.72 -3.35 114.93 114.61 1r2u h MET 81 Ca 0.74 -0.11 -0.11 0.00 -2.06 0.00 0.00 59.70 58.15 1r2u h MET 81 Cb 2.56 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 34.24 1r2u h MET 81 CO -0.21 1.03 -0.54 -0.39 1.06 0.00 0.00 176.91 177.86 1r2u h VAL 82 N -0.84 1.34 0.00 -2.22 -1.51 -1.23 -3.02 116.25 108.78 1r2u h VAL 82 Ca -0.03 -1.90 -0.00 0.00 -1.23 0.00 0.00 66.70 63.54 1r2u h VAL 82 Cb 1.12 2.04 -0.00 0.00 -2.13 0.00 0.00 31.29 32.31 1r2u h VAL 82 CO 0.03 0.53 -0.01 0.08 -1.23 0.00 0.00 177.57 176.98 1r2u h ARG 83 N 0.00 0.00 -0.40 5.19 -0.00 -0.04 -1.06 114.38 118.07 1r2u h ARG 83 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.87 1r2u h ARG 83 Cb 1.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.95 1r2u h ARG 83 CO 0.07 0.01 -0.20 0.00 -0.00 0.00 0.00 179.97 179.86 1r2u n MET 85 N -4.13 5.27 -1.15 0.00 2.81 -0.40 -5.02 117.12 114.51 1r2u n MET 85 Ca 0.00 -4.49 -0.32 0.00 -1.81 0.00 0.00 57.70 51.08 1r2u n MET 85 Cb 0.42 -2.50 0.11 0.00 -0.71 0.00 0.00 33.22 30.54 1r2u n MET 85 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1r2u s LYS 86 N -3.78 1.85 -0.11 0.03 -2.85 -1.21 -4.84 119.74 108.83 1r2u s LYS 86 Ca 0.41 1.44 -0.11 0.00 -1.00 0.00 0.00 55.97 56.70 1r2u s LYS 86 Cb 0.18 -1.83 -0.04 0.00 -2.06 0.00 0.00 37.83 34.08 1r2u s LYS 86 CO -0.11 -1.99 -0.21 -3.47 0.10 0.00 0.00 175.35 169.67 1r2u n ASP 87 N -3.51 1.26 -3.69 0.03 2.03 -1.26 -5.01 116.55 106.40 1r2u n ASP 87 Ca 0.11 0.26 -0.22 0.00 0.52 0.00 0.00 54.79 55.45 1r2u n ASP 87 Cb 0.52 -0.67 0.04 0.00 -0.72 0.00 0.00 41.12 40.29 1r2u n ASP 87 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1r2u n ASP 88 N -3.79 -2.35 0.00 1.67 2.03 -1.26 -5.15 116.55 107.70 1r2u n ASP 88 Ca -0.09 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.46 1r2u n ASP 88 Cb 0.32 -4.26 0.00 0.00 -0.72 0.00 0.00 41.12 36.46 1r2u n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04