#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 5.57 -0.59 7.83 5.03 -1.26 -4.67 115.26 127.17 1r2u n ASN 2 Ca 0.00 -3.71 0.08 0.00 0.87 0.00 0.00 54.58 51.82 1r2u n ASN 2 Cb 0.00 -0.76 0.05 0.00 -1.02 0.00 0.00 39.78 38.06 1r2u n ASN 2 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1r2u n ASP 3 N -0.25 2.19 0.17 6.41 5.75 -1.26 -4.40 116.55 125.15 1r2u n ASP 3 Ca 0.38 -1.59 0.04 0.00 -0.01 0.00 0.00 54.79 53.61 1r2u n ASP 3 Cb 0.38 0.11 0.25 0.00 -1.03 0.00 0.00 41.12 40.83 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -0.11 0.00 0.00 177.20 177.25 1r2u h ILE 4 N 2.88 0.92 -0.16 2.12 -2.65 -1.90 -2.68 117.51 116.05 1r2u h ILE 4 Ca 0.00 -1.75 -0.09 0.00 1.03 0.00 0.00 64.86 64.05 1r2u h ILE 4 Cb 0.65 2.07 -0.01 0.00 -2.05 0.00 0.00 36.82 37.48 1r2u h ILE 4 CO 0.00 0.42 -0.30 1.88 0.03 0.00 0.00 178.15 180.18 1r2u h TYR 5 N 0.00 0.34 0.13 0.16 0.05 -1.91 0.41 116.97 116.16 1r2u h TYR 5 Ca -0.00 -0.07 -0.28 0.00 0.05 0.00 0.00 58.73 58.42 1r2u h TYR 5 Cb 1.04 -0.08 0.01 0.00 1.01 0.00 0.00 36.73 38.71 1r2u h TYR 5 CO 0.00 0.58 -1.24 0.87 -1.05 0.00 0.00 178.16 177.32 1r2u h LYS 6 N 0.27 0.36 0.00 4.88 1.79 -1.81 -0.24 116.57 121.82 1r2u h LYS 6 Ca 0.04 -0.57 -0.12 0.00 -2.18 0.00 0.00 60.65 57.82 1r2u h LYS 6 Cb 0.67 0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.51 1r2u h LYS 6 CO 0.05 1.25 -0.58 0.00 -1.08 0.00 0.00 179.45 179.10 1r2u h ALA 7 N 0.51 0.74 0.15 3.86 0.00 -1.28 -3.23 119.26 120.01 1r2u h ALA 7 Ca -0.15 -0.52 -0.35 0.00 0.00 0.00 0.00 54.91 53.89 1r2u h ALA 7 Cb 1.95 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1r2u h ALA 7 CO 0.21 0.72 -1.80 0.00 0.00 0.00 0.00 179.25 178.38 1r2u h ALA 8 N 1.42 0.31 -0.52 0.00 0.00 -0.22 -3.35 119.26 116.90 1r2u h ALA 8 Ca -0.01 -1.24 0.09 0.00 0.00 0.00 0.00 54.91 53.75 1r2u h ALA 8 Cb 1.27 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 19.55 1r2u h ALA 8 CO 0.07 1.18 0.36 -0.24 0.00 0.00 0.00 179.25 180.62 1r2u h VAL 9 N 0.08 0.89 0.00 0.00 3.04 -1.11 0.18 116.25 119.33 1r2u h VAL 9 Ca -0.35 -0.11 -0.06 0.00 -1.01 0.00 0.00 66.70 65.17 1r2u h VAL 9 Cb 2.06 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 1r2u h VAL 9 CO 0.14 0.06 -0.28 -0.33 -1.01 0.00 0.00 177.57 176.15 1r2u h GLU 10 N 0.32 0.00 0.12 4.17 5.08 -1.69 -2.73 114.58 119.85 1r2u h GLU 10 Ca 0.24 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.32 1r2u h GLU 10 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1r2u h GLU 10 CO -0.06 0.28 -1.28 1.96 -1.00 0.00 0.00 179.01 178.91 1r2u h GLN 11 N 0.00 0.26 -7.18 2.33 1.08 -0.84 -3.46 115.11 107.31 1r2u h GLN 11 Ca -0.00 -0.45 -0.49 0.00 -1.45 0.00 0.00 58.65 56.25 1r2u h GLN 11 Cb 0.53 0.17 0.07 0.00 -0.05 0.00 0.00 27.48 28.20 1r2u h GLN 11 CO 0.04 1.20 0.38 -0.51 -0.95 0.00 0.00 178.83 178.99 1r2u s LEU 12 N -7.11 3.53 0.41 1.46 1.43 -0.59 -5.07 118.68 112.73 1r2u s LEU 12 Ca -0.05 1.87 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 1r2u s LEU 12 Cb 0.07 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.72 1r2u s LEU 12 CO 0.88 -1.20 0.33 0.42 0.23 0.00 0.00 176.35 177.00 1r2u s THR 13 N -2.36 2.70 0.44 5.49 -4.23 -1.26 -4.93 115.64 111.49 1r2u s THR 13 Ca 0.65 -1.42 0.11 0.00 -1.18 0.00 0.00 61.69 59.86 1r2u s THR 13 Cb -0.17 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 70.88 1r2u s THR 13 CO 0.35 -0.02 2.04 0.44 -0.54 0.00 0.00 174.62 176.89 1r2u h ASP 14 N 1.13 0.20 -0.89 3.99 3.32 -1.97 -2.22 116.42 119.98 1r2u h ASP 14 Ca -0.42 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 56.64 1r2u h ASP 14 Cb 1.26 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 1r2u h ASP 14 CO 0.60 0.23 0.58 -0.33 -1.72 0.00 0.00 179.24 178.59 1r2u h GLU 15 N 0.23 1.09 0.01 3.56 4.39 -1.98 0.17 114.58 122.05 1r2u h GLU 15 Ca 0.06 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1r2u h GLU 15 Cb 0.12 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1r2u h GLU 15 CO -0.00 0.72 -0.00 1.96 -1.16 0.00 0.00 179.01 180.53 1r2u h GLN 16 N 1.13 -0.01 0.00 2.33 4.20 -1.80 -0.55 115.11 120.41 1r2u h GLN 16 Ca 0.35 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.99 1r2u h GLN 16 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1r2u h GLN 16 CO -0.11 0.02 -0.35 0.87 -0.67 0.00 0.00 178.83 178.60 1r2u h LYS 17 N -0.04 0.00 -0.26 1.46 6.56 -1.46 -0.52 116.57 122.32 1r2u h LYS 17 Ca -0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1r2u h LYS 17 Cb 0.03 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1r2u h LYS 17 CO 0.00 0.35 -0.21 -0.97 -2.06 0.00 0.00 179.45 176.56 1r2u h ASN 18 N 0.00 0.63 -0.32 0.86 -1.24 -0.25 -0.35 115.58 114.89 1r2u h ASN 18 Ca -0.00 -0.45 -0.12 0.00 0.71 0.00 0.00 56.30 56.44 1r2u h ASN 18 Cb 0.75 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 1r2u h ASN 18 CO 0.04 0.95 -0.25 -0.33 -1.29 0.00 0.00 177.43 176.55 1r2u h GLU 19 N 0.31 0.75 -0.69 6.67 4.39 -0.95 -2.64 114.58 122.41 1r2u h GLU 19 Ca 0.05 -0.37 0.02 0.00 0.34 0.00 0.00 59.36 59.40 1r2u h GLU 19 Cb 0.75 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.36 1r2u h GLU 19 CO 0.05 0.99 0.44 0.74 -1.16 0.00 0.00 179.01 180.08 1r2u h PHE 20 N 0.51 0.84 0.36 4.33 -1.00 -1.05 0.39 116.94 121.32 1r2u h PHE 20 Ca 0.06 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1r2u h PHE 20 Cb 0.82 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1r2u h PHE 20 CO 0.07 0.50 -0.17 -0.22 -1.61 0.00 0.00 178.31 176.87 1r2u h LYS 21 N 0.89 -0.47 -0.54 1.51 1.63 -1.00 -0.22 116.57 118.37 1r2u h LYS 21 Ca 0.27 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.07 1r2u h LYS 21 Cb -0.04 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 1r2u h LYS 21 CO -0.08 -0.25 0.22 0.00 -3.45 0.00 0.00 179.45 175.88 1r2u h ALA 22 N 0.02 0.70 0.00 5.00 0.00 -1.33 0.71 119.26 124.36 1r2u h ALA 22 Ca -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1r2u h ALA 22 Cb 0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1r2u h ALA 22 CO 0.08 0.31 -0.04 0.00 0.00 0.00 0.00 179.25 179.60 1r2u h ALA 23 N 1.06 1.51 0.00 0.00 0.00 -0.14 -1.49 119.26 120.21 1r2u h ALA 23 Ca 0.18 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1r2u h ALA 23 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1r2u h ALA 23 CO -0.02 0.05 -0.52 0.35 0.00 0.00 0.00 179.25 179.12 1r2u h PHE 24 N 0.00 0.00 -0.99 0.00 3.57 -0.35 -3.37 116.94 115.80 1r2u h PHE 24 Ca -0.00 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.66 1r2u h PHE 24 Cb 0.10 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 38.75 1r2u h PHE 24 CO 0.00 0.71 0.61 -0.44 -2.23 0.00 0.00 178.31 176.96 1r2u h ASP 25 N -1.00 0.83 -0.76 0.41 5.19 -0.76 0.20 116.42 120.53 1r2u h ASP 25 Ca -0.11 0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.48 1r2u h ASP 25 Cb 0.78 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.16 1r2u h ASP 25 CO -0.07 0.37 0.50 0.16 -3.12 0.00 0.00 179.24 177.08 1r2u h ILE 26 N 0.85 0.92 0.00 0.35 3.07 -1.45 -1.44 117.51 119.81 1r2u h ILE 26 Ca 0.54 -0.22 -0.22 0.00 1.55 0.00 0.00 64.86 66.50 1r2u h ILE 26 Cb 0.70 0.22 -0.04 0.00 -0.27 0.00 0.00 36.82 37.43 1r2u h ILE 26 CO -0.33 0.12 -1.35 -0.26 -1.05 0.00 0.00 178.15 175.28 1r2u h PHE 27 N 0.65 0.00 -0.62 0.16 0.04 -1.28 -3.34 116.94 112.54 1r2u h PHE 27 Ca 0.35 0.00 -0.40 0.00 2.80 0.00 0.00 57.97 60.73 1r2u h PHE 27 Cb 0.50 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.47 1r2u h PHE 27 CO -0.00 0.85 0.51 -0.89 -0.60 0.00 0.00 178.31 178.18 1r2u n ILE 28 N -3.10 2.84 0.11 -0.55 2.08 -0.10 -4.38 119.36 116.26 1r2u n ILE 28 Ca -0.09 -1.78 -0.03 0.00 0.56 0.00 0.00 62.75 61.41 1r2u n ILE 28 Cb 0.94 -1.11 0.16 0.00 -0.75 0.00 0.00 39.64 38.89 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 1.34 0.13 -0.21 0.38 3.07 -1.59 -3.37 115.11 114.86 1r2u h GLN 29 Ca 0.39 -0.09 -0.22 0.00 0.09 0.00 0.00 58.65 58.82 1r2u h GLN 29 Cb 1.25 0.01 -0.23 0.00 0.08 0.00 0.00 27.48 28.60 1r2u h GLN 29 CO 0.91 0.67 -0.57 -0.40 0.09 0.00 0.00 178.83 179.54 1r2u n ASP 30 N -3.87 -0.68 -4.78 0.06 5.68 -1.26 -5.14 116.55 106.56 1r2u n ASP 30 Ca -0.02 -2.32 -0.34 0.00 -0.50 0.00 0.00 54.79 51.61 1r2u n ASP 30 Cb 0.59 0.42 -0.00 0.00 -1.14 0.00 0.00 41.12 40.99 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1r2u s ALA 31 N -0.98 2.73 0.13 2.12 0.00 -1.26 -4.97 121.76 119.54 1r2u s ALA 31 Ca 0.18 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 1r2u s ALA 31 Cb 0.41 -3.31 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 1r2u s ALA 31 CO -0.08 -0.68 1.41 1.05 0.00 0.00 0.00 175.76 177.46 1r2u h GLU 32 N 1.12 0.82 0.00 0.00 4.11 -1.97 -3.33 114.58 115.33 1r2u h GLU 32 Ca -0.49 -0.54 0.00 0.00 0.07 0.00 0.00 59.36 58.40 1r2u h GLU 32 Cb 1.24 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1r2u h GLU 32 CO 0.57 1.17 -0.08 -0.25 0.07 0.00 0.00 179.01 180.50 1r2u n ASP 33 N -3.99 1.97 -2.89 3.06 8.00 -1.26 -4.99 116.55 116.45 1r2u n ASP 33 Ca -0.05 -2.88 -0.15 0.00 0.71 0.00 0.00 54.79 52.42 1r2u n ASP 33 Cb 0.65 -0.38 0.07 0.00 -0.02 0.00 0.00 41.12 41.43 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r2u n GLY 34 N -1.18 -0.19 3.73 0.44 0.00 -1.25 -5.02 105.19 101.71 1r2u n GLY 34 Ca 0.13 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 1r2u n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r2u n ILE 36 N -0.46 0.00 -3.52 0.00 -6.64 -0.25 -4.77 119.36 103.72 1r2u n ILE 36 Ca -0.04 -2.14 -0.38 0.00 -1.77 0.00 0.00 62.75 58.43 1r2u n ILE 36 Cb 0.60 -0.21 -0.06 0.00 -1.44 0.00 0.00 39.64 38.53 1r2u n ILE 36 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 1r2u s SER 37 N -4.48 6.78 0.35 7.28 0.15 -1.26 0.17 113.70 122.69 1r2u s SER 37 Ca 0.45 0.93 0.04 0.00 0.70 0.00 0.00 55.95 58.06 1r2u s SER 37 Cb -0.04 -2.24 0.67 0.00 -1.71 0.00 0.00 66.02 62.70 1r2u s SER 37 CO 0.28 0.33 1.96 0.71 1.20 0.00 0.00 173.24 177.72 1r2u h THR 38 N 3.74 1.07 -0.21 6.45 1.35 -1.87 -0.27 112.91 123.17 1r2u h THR 38 Ca -0.52 -0.29 -0.06 0.00 -0.55 0.00 0.00 66.41 64.99 1r2u h THR 38 Cb 1.22 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 1r2u h THR 38 CO 0.61 0.15 -0.15 0.11 -0.25 0.00 0.00 175.52 176.00 1r2u h LYS 39 N 0.84 0.36 0.00 4.72 1.79 -1.94 -1.99 116.57 120.36 1r2u h LYS 39 Ca 0.31 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1r2u h LYS 39 Cb 0.16 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1r2u h LYS 39 CO -0.10 0.51 0.00 0.39 -1.08 0.00 0.00 179.45 179.17 1r2u n GLU 40 N -4.22 0.89 -0.07 3.15 1.02 -0.14 -3.81 120.64 117.47 1r2u n GLU 40 Ca -0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 1r2u n GLU 40 Cb 0.31 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.00 0.31 -2.27 -4.62 6.46 -1.05 -1.08 115.31 113.07 1r2u h LEU 41 Ca 0.00 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1r2u h LEU 41 Cb 0.04 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1r2u h LEU 41 CO 0.00 0.27 0.00 1.23 -0.62 0.00 0.00 178.44 179.32 1r2u h GLY 42 N 0.32 0.00 1.26 3.75 0.00 -1.77 -1.81 103.07 104.82 1r2u h GLY 42 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.14 1r2u h GLY 42 CO -0.02 0.00 -1.52 0.50 0.00 0.00 0.00 176.54 175.51 1r2u h LYS 43 N 0.00 0.12 0.03 4.80 1.79 -1.46 -3.31 116.57 118.54 1r2u h LYS 43 Ca 0.00 -0.20 -0.22 0.00 -2.18 0.00 0.00 60.65 58.06 1r2u h LYS 43 Cb 0.12 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1r2u h LYS 43 CO 0.00 0.89 -0.98 -0.39 -1.08 0.00 0.00 179.45 177.89 1r2u h VAL 44 N 0.03 1.55 -0.74 0.50 -1.51 -0.50 -3.21 116.25 112.37 1r2u h VAL 44 Ca -0.22 -2.89 -0.01 0.00 -1.23 0.00 0.00 66.70 62.34 1r2u h VAL 44 Cb 1.97 2.65 -0.04 0.00 -2.13 0.00 0.00 31.29 33.74 1r2u h VAL 44 CO 0.12 0.84 0.42 0.24 -1.23 0.00 0.00 177.57 177.96 1r2u h MET 45 N 0.07 1.01 -0.71 5.19 2.86 -1.50 -1.87 114.93 119.99 1r2u h MET 45 Ca -0.05 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1r2u h MET 45 Cb 1.66 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 33.08 1r2u h MET 45 CO 0.15 0.73 0.32 0.00 1.06 0.00 0.00 176.91 179.16 1r2u h ARG 46 N 1.03 1.02 -0.13 1.72 3.08 -1.27 0.15 114.38 119.97 1r2u h ARG 46 Ca 0.26 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1r2u h ARG 46 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1r2u h ARG 46 CO -0.05 0.81 -0.15 0.52 -1.07 0.00 0.00 179.97 180.03 1r2u h MET 47 N 1.01 0.20 0.09 0.04 2.86 -1.37 -3.07 114.93 114.68 1r2u h MET 47 Ca 0.24 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.71 1r2u h MET 47 Cb 0.14 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.78 1r2u h MET 47 CO -0.03 0.36 -0.57 -0.07 1.06 0.00 0.00 176.91 177.66 1r2u h LEU 48 N 0.19 0.28 0.00 1.22 3.38 -0.92 -3.49 115.31 115.98 1r2u h LEU 48 Ca 0.04 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1r2u h LEU 48 Cb 0.39 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1r2u h LEU 48 CO 0.02 1.27 0.00 0.61 0.09 0.00 0.00 178.44 180.43 1r2u n GLY 49 N 1.65 0.63 3.89 0.83 0.00 0.39 -5.12 105.19 107.45 1r2u n GLY 49 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 3.48 -0.43 1.61 -0.21 -0.47 -4.87 119.66 118.77 1r2u s GLN 50 Ca 0.00 0.48 0.06 0.00 0.02 0.00 0.00 55.36 55.93 1r2u s GLN 50 Cb 0.00 -2.19 0.18 0.00 1.00 0.00 0.00 33.01 31.99 1r2u s GLN 50 CO 0.00 -0.48 0.57 1.21 -2.12 0.00 0.00 175.29 174.47 1r2u s ASN 51 N -4.18 -0.63 0.56 5.90 2.47 -1.26 -1.50 114.94 116.30 1r2u s ASN 51 Ca 0.52 -1.39 0.00 0.00 0.42 0.00 0.00 52.86 52.41 1r2u s ASN 51 Cb -0.11 1.43 0.00 0.00 -1.45 0.00 0.00 41.25 41.12 1r2u s ASN 51 CO 0.50 -0.16 0.00 -0.81 -3.72 0.00 0.00 177.10 172.91 1r2u n PRO 52 N 3.88 0.55 -3.78 0.43 -0.04 -1.26 -5.09 135.00 129.70 1r2u n PRO 52 Ca 0.14 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.37 1r2u n PRO 52 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.33 2.20 0.19 0.52 -4.23 -1.26 -4.94 115.64 107.78 1r2u s THR 53 Ca 0.00 -1.46 0.15 0.00 -1.18 0.00 0.00 61.69 59.21 1r2u s THR 53 Cb 0.00 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.24 1r2u s THR 53 CO 0.00 0.00 1.66 1.55 -0.54 0.00 0.00 174.62 177.29 1r2u h PRO 54 N 0.97 0.00 0.17 3.99 0.13 -1.99 -0.47 132.00 134.79 1r2u h PRO 54 Ca -0.40 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.41 1r2u h PRO 54 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1r2u h PRO 54 CO 0.59 0.49 -1.58 0.93 -0.23 0.00 0.00 178.00 178.21 1r2u h GLU 55 N 0.00 0.35 0.06 0.86 5.08 -2.00 -3.11 114.58 115.82 1r2u h GLU 55 Ca -0.00 -0.60 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1r2u h GLU 55 Cb 1.03 0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1r2u h GLU 55 CO 0.06 1.25 -0.03 1.49 -1.00 0.00 0.00 179.01 180.79 1r2u h GLU 56 N 0.10 -0.07 0.00 2.33 4.22 -1.95 -3.18 114.58 116.02 1r2u h GLU 56 Ca -0.27 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.16 1r2u h GLU 56 Cb 2.07 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.34 1r2u h GLU 56 CO 0.19 0.46 -0.03 1.37 -2.18 0.00 0.00 179.01 178.81 1r2u h LEU 57 N -0.66 0.00 -0.74 1.64 -0.00 -1.25 -2.39 115.31 111.90 1r2u h LEU 57 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.95 1r2u h LEU 57 Cb 0.56 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 41.16 1r2u h LEU 57 CO 0.01 0.03 0.41 -0.61 -0.00 0.00 0.00 178.44 178.29 1r2u h GLN 58 N 0.00 0.71 -0.43 0.17 5.75 -1.51 0.44 115.11 120.23 1r2u h GLN 58 Ca -0.00 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 1r2u h GLN 58 Cb 0.09 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1r2u h GLN 58 CO 0.00 0.47 0.06 0.93 -2.65 0.00 0.00 178.83 177.64 1r2u h GLU 59 N 0.73 0.67 -0.18 1.69 5.08 -1.53 -2.62 114.58 118.41 1r2u h GLU 59 Ca 0.35 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1r2u h GLU 59 Cb 0.27 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1r2u h GLU 59 CO -0.22 0.65 -0.04 0.52 -1.00 0.00 0.00 179.01 178.92 1r2u h MET 60 N 0.64 0.35 0.07 2.33 2.86 -1.18 -2.03 114.93 117.98 1r2u h MET 60 Ca 0.14 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1r2u h MET 60 Cb 0.32 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1r2u h MET 60 CO 0.01 0.61 -0.12 0.82 1.06 0.00 0.00 176.91 179.29 1r2u h ILE 61 N 0.07 0.00 -0.91 -1.22 2.04 -0.75 0.76 117.51 117.50 1r2u h ILE 61 Ca 0.05 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.10 1r2u h ILE 61 Cb 0.48 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.49 1r2u h ILE 61 CO 0.02 0.00 0.60 0.44 0.00 0.00 0.00 178.15 179.20 1r2u h ASP 62 N -0.20 0.49 0.01 1.72 5.19 -1.58 0.23 116.42 122.28 1r2u h ASP 62 Ca -0.01 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1r2u h ASP 62 Cb 0.19 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1r2u h ASP 62 CO -0.04 0.20 -0.00 -0.33 -3.12 0.00 0.00 179.24 175.95 1r2u h GLU 63 N 0.49 -0.01 0.00 3.56 4.39 -0.92 -3.07 114.58 119.02 1r2u h GLU 63 Ca 0.48 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.18 1r2u h GLU 63 Cb 1.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1r2u h GLU 63 CO -0.21 0.25 -0.02 -0.39 -1.16 0.00 0.00 179.01 177.48 1r2u h VAL 64 N -0.27 0.04 -0.66 3.13 -1.51 -0.08 -3.41 116.25 113.49 1r2u h VAL 64 Ca -0.00 -0.83 -0.33 0.00 -1.23 0.00 0.00 66.70 64.30 1r2u h VAL 64 Cb 0.27 1.80 -0.05 0.00 -2.13 0.00 0.00 31.29 31.18 1r2u h VAL 64 CO 0.00 0.02 0.93 -0.62 -1.23 0.00 0.00 177.57 176.67 1r2u s ASP 65 N -6.01 5.23 0.19 4.19 -1.08 0.72 -4.59 116.67 115.33 1r2u s ASP 65 Ca 0.04 -1.10 -0.06 0.00 -0.52 0.00 0.00 52.55 50.92 1r2u s ASP 65 Cb 0.07 -2.57 0.11 0.00 -1.46 0.00 0.00 42.92 39.07 1r2u s ASP 65 CO 0.62 -2.75 1.57 -0.33 0.52 0.00 0.00 175.17 174.80 1r2u h GLU 66 N 10.58 0.78 0.15 4.34 5.08 -1.84 -3.26 114.58 130.41 1r2u h GLU 66 Ca 0.15 -0.37 -0.33 0.00 -1.00 0.00 0.00 59.36 57.81 1r2u h GLU 66 Cb 0.98 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 1r2u h GLU 66 CO 1.23 0.99 -1.67 0.38 -1.00 0.00 0.00 179.01 178.95 1r2u h ASP 67 N 0.65 0.50 -2.31 1.42 3.04 -1.97 -3.49 116.42 114.27 1r2u h ASP 67 Ca 0.07 -0.74 -0.06 0.00 -3.24 0.00 0.00 57.03 53.06 1r2u h ASP 67 Cb 0.87 -0.16 0.03 0.00 -1.04 0.00 0.00 39.33 39.02 1r2u h ASP 67 CO 0.08 1.62 -0.12 0.61 -2.04 0.00 0.00 179.24 179.39 1r2u n GLY 68 N 1.78 0.46 0.11 7.15 0.00 -1.23 -5.01 105.19 108.45 1r2u n GLY 68 Ca -0.21 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 1r2u n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r2u n SER 69 N -0.54 1.88 0.00 1.61 3.41 -1.26 -5.03 113.62 113.69 1r2u n SER 69 Ca -0.03 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 1r2u n SER 69 Cb 0.52 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1r2u n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r2u n GLY 70 N 1.42 0.88 3.92 5.00 0.00 -1.26 -5.14 105.19 110.00 1r2u n GLY 70 Ca -0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 4.81 -0.27 2.61 -4.23 -1.26 -3.15 115.64 114.16 1r2u s THR 71 Ca 0.00 -1.15 -0.06 0.00 -1.18 0.00 0.00 61.69 59.30 1r2u s THR 71 Cb 0.00 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 70.20 1r2u s THR 71 CO 0.00 -0.32 0.04 -0.69 -0.54 0.00 0.00 174.62 173.11 1r2u s VAL 72 N -2.06 3.83 0.82 2.29 1.01 0.13 -4.83 120.40 121.58 1r2u s VAL 72 Ca 0.35 -0.56 -0.09 0.00 0.00 0.00 0.00 61.98 61.68 1r2u s VAL 72 Cb -0.08 -2.88 0.14 0.00 0.00 0.00 0.00 36.38 33.56 1r2u s VAL 72 CO 0.28 0.22 1.14 -1.81 0.00 0.00 0.00 175.10 174.93 1r2u s ASP 73 N 1.51 3.91 0.34 3.32 1.01 -1.26 -1.09 116.67 124.40 1r2u s ASP 73 Ca 0.04 0.09 0.04 0.00 0.71 0.00 0.00 52.55 53.43 1r2u s ASP 73 Cb -0.16 -0.38 0.60 0.00 1.01 0.00 0.00 42.92 43.99 1r2u s ASP 73 CO 0.01 -2.19 1.89 0.15 0.21 0.00 0.00 175.17 175.24 1r2u h PHE 74 N -1.04 0.60 -0.49 4.23 3.57 -1.98 0.31 116.94 122.15 1r2u h PHE 74 Ca -0.42 -0.05 -0.12 0.00 3.53 0.00 0.00 57.97 60.92 1r2u h PHE 74 Cb 1.26 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1r2u h PHE 74 CO -0.50 0.54 -0.16 -0.44 -2.23 0.00 0.00 178.31 175.52 1r2u h ASP 75 N 0.57 0.97 1.47 0.41 5.19 -1.98 -0.12 116.42 122.93 1r2u h ASP 75 Ca 0.13 -0.34 -0.05 0.00 -0.62 0.00 0.00 57.03 56.15 1r2u h ASP 75 Cb 0.26 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1r2u h ASP 75 CO 0.00 1.11 -0.26 -0.33 -3.12 0.00 0.00 179.24 176.64 1r2u h GLU 76 N 0.84 0.00 0.10 3.56 5.08 -1.67 -2.59 114.58 119.90 1r2u h GLU 76 Ca 0.12 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.20 1r2u h GLU 76 Cb 0.72 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.99 1r2u h GLU 76 CO 0.06 0.26 -1.19 0.35 -1.00 0.00 0.00 179.01 177.48 1r2u h PHE 77 N 0.00 0.82 0.02 4.33 3.57 -0.02 -3.32 116.94 122.34 1r2u h PHE 77 Ca -0.00 -0.52 -0.22 0.00 3.53 0.00 0.00 57.97 60.75 1r2u h PHE 77 Cb 1.06 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1r2u h PHE 77 CO 0.00 1.37 -0.97 -0.07 -2.23 0.00 0.00 178.31 176.41 1r2u h LEU 78 N 0.22 0.42 -2.07 0.59 3.38 -1.03 -3.24 115.31 113.59 1r2u h LEU 78 Ca -0.16 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.49 1r2u h LEU 78 Cb 1.87 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 1r2u h LEU 78 CO 0.22 1.17 0.09 -0.37 0.09 0.00 0.00 178.44 179.64 1r2u h VAL 79 N 0.16 0.86 -1.10 1.22 -1.51 -1.57 -2.41 116.25 111.91 1r2u h VAL 79 Ca -0.08 0.00 0.33 0.00 -1.23 0.00 0.00 66.70 65.72 1r2u h VAL 79 Cb 1.62 0.94 -0.12 0.00 -2.13 0.00 0.00 31.29 31.59 1r2u h VAL 79 CO 0.16 0.00 0.68 0.24 -1.23 0.00 0.00 177.57 177.42 1r2u h MET 80 N 0.00 0.30 0.22 5.19 2.86 -1.66 0.88 114.93 122.73 1r2u h MET 80 Ca 0.06 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1r2u h MET 80 Cb 0.24 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.83 1r2u h MET 80 CO -0.00 0.20 -0.11 0.52 1.06 0.00 0.00 176.91 178.58 1r2u h MET 81 N 0.31 -0.29 0.00 1.72 2.86 -1.67 -3.32 114.93 114.54 1r2u h MET 81 Ca 0.70 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.34 1r2u h MET 81 Cb 1.82 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.54 1r2u h MET 81 CO -0.44 -0.03 -0.10 -0.39 1.06 0.00 0.00 176.91 177.01 1r2u h VAL 82 N -1.02 0.84 -0.24 -2.22 -1.51 -1.46 -2.13 116.25 108.52 1r2u h VAL 82 Ca -0.03 -0.36 0.07 0.00 -1.23 0.00 0.00 66.70 65.15 1r2u h VAL 82 Cb 0.39 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 1r2u h VAL 82 CO 0.05 0.09 0.18 0.03 -1.23 0.00 0.00 177.57 176.69 1r2u h ARG 83 N 0.00 0.00 0.00 5.19 2.47 0.67 0.73 114.38 123.44 1r2u h ARG 83 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1r2u h ARG 83 Cb 0.20 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1r2u h ARG 83 CO 0.01 0.00 -0.10 0.00 0.56 0.00 0.00 179.97 180.44 1r2u n MET 85 N -4.23 3.40 -2.40 0.00 2.81 0.25 -5.02 117.12 111.93 1r2u n MET 85 Ca -0.03 -3.95 -0.32 0.00 -1.81 0.00 0.00 57.70 51.59 1r2u n MET 85 Cb 0.18 -2.30 -0.03 0.00 -0.71 0.00 0.00 33.22 30.36 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 -4.02 3.87 -0.13 0.03 -2.85 -1.02 -4.88 119.74 110.74 1r2u s LYS 86 Ca 0.49 0.85 -0.08 0.00 -1.00 0.00 0.00 55.97 56.22 1r2u s LYS 86 Cb 0.38 -2.17 -0.06 0.00 -2.06 0.00 0.00 37.83 33.92 1r2u s LYS 86 CO -0.32 -0.27 -0.19 -3.47 0.10 0.00 0.00 175.35 171.20 1r2u n ASP 87 N -1.70 1.15 -3.36 0.03 2.03 -1.26 -5.04 116.55 108.40 1r2u n ASP 87 Ca 0.06 0.19 -0.20 0.00 0.52 0.00 0.00 54.79 55.36 1r2u n ASP 87 Cb 0.54 -0.46 0.08 0.00 -0.72 0.00 0.00 41.12 40.56 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 -3.73 -4.59 0.00 1.67 2.03 -1.26 -5.21 116.55 105.46 1r2u n ASP 88 Ca -0.25 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.53 1r2u n ASP 88 Cb 0.62 -4.79 0.00 0.00 -0.72 0.00 0.00 41.12 36.23 1r2u n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04