#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 5.19 -0.26 7.83 5.03 -1.26 -4.62 115.26 127.16 1r2u n ASN 2 Ca 0.00 -2.97 0.03 0.00 0.87 0.00 0.00 54.58 52.50 1r2u n ASN 2 Cb 0.00 -1.59 0.05 0.00 -1.02 0.00 0.00 39.78 37.22 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 5.95 2.08 0.19 6.41 5.68 -1.26 -4.60 116.55 130.99 1r2u n ASP 3 Ca 0.38 -1.73 0.05 0.00 -0.50 0.00 0.00 54.79 53.00 1r2u n ASP 3 Cb 0.43 -0.07 0.35 0.00 -1.14 0.00 0.00 41.12 40.69 1r2u n ASP 3 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1r2u h ILE 4 N 0.95 0.95 -0.20 2.12 -0.00 -1.95 -2.39 117.51 117.00 1r2u h ILE 4 Ca 0.00 -1.50 -0.09 0.00 -0.00 0.00 0.00 64.86 63.27 1r2u h ILE 4 Cb 0.47 1.89 -0.01 0.00 -0.00 0.00 0.00 36.82 39.17 1r2u h ILE 4 CO 0.00 0.38 -0.28 1.88 -0.00 0.00 0.00 178.15 180.12 1r2u h TYR 5 N 0.00 0.43 0.06 0.16 0.05 -1.90 0.46 116.97 116.24 1r2u h TYR 5 Ca -0.00 -0.09 -0.27 0.00 0.05 0.00 0.00 58.73 58.41 1r2u h TYR 5 Cb 0.86 -0.10 0.02 0.00 1.01 0.00 0.00 36.73 38.52 1r2u h TYR 5 CO 0.00 0.63 -1.13 0.87 -1.05 0.00 0.00 178.16 177.48 1r2u h LYS 6 N 0.34 0.58 0.00 4.88 1.79 -1.83 -0.81 116.57 121.52 1r2u h LYS 6 Ca 0.05 -0.70 -0.11 0.00 -2.18 0.00 0.00 60.65 57.71 1r2u h LYS 6 Cb 0.68 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 1r2u h LYS 6 CO 0.05 1.30 -0.51 0.00 -1.08 0.00 0.00 179.45 179.21 1r2u h ALA 7 N 0.44 0.89 0.01 3.86 0.00 -1.23 -3.19 119.26 120.04 1r2u h ALA 7 Ca -0.15 -0.47 -0.25 0.00 0.00 0.00 0.00 54.91 54.05 1r2u h ALA 7 Cb 1.79 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.46 1r2u h ALA 7 CO 0.21 0.64 -1.33 0.00 0.00 0.00 0.00 179.25 178.77 1r2u h ALA 8 N 1.49 0.51 -0.53 0.00 0.00 -0.07 -3.33 119.26 117.32 1r2u h ALA 8 Ca -0.01 -1.15 0.11 0.00 0.00 0.00 0.00 54.91 53.86 1r2u h ALA 8 Cb 1.09 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1r2u h ALA 8 CO 0.07 1.37 0.36 -0.24 0.00 0.00 0.00 179.25 180.81 1r2u h VAL 9 N 0.01 0.86 0.00 0.00 3.04 -1.12 0.18 116.25 119.22 1r2u h VAL 9 Ca -0.14 -0.09 -0.05 0.00 -1.01 0.00 0.00 66.70 65.40 1r2u h VAL 9 Cb 1.89 0.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 1r2u h VAL 9 CO 0.11 0.05 -0.26 -0.33 -1.01 0.00 0.00 177.57 176.13 1r2u h GLU 10 N 0.27 0.00 0.02 4.17 4.39 -1.67 -3.13 114.58 118.63 1r2u h GLU 10 Ca 0.25 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.68 1r2u h GLU 10 Cb 0.62 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.24 1r2u h GLU 10 CO -0.05 0.26 -1.45 1.96 -1.16 0.00 0.00 179.01 178.57 1r2u h GLN 11 N 0.00 0.04 -6.37 2.33 4.20 -0.86 -3.46 115.11 110.99 1r2u h GLN 11 Ca -0.00 -0.07 -0.55 0.00 0.06 0.00 0.00 58.65 58.08 1r2u h GLN 11 Cb 0.89 0.03 0.02 0.00 0.30 0.00 0.00 27.48 28.72 1r2u h GLN 11 CO 0.03 0.78 1.17 1.28 -0.67 0.00 0.00 178.83 181.42 1r2u n LEU 12 N -3.22 3.96 -4.72 1.46 4.77 -0.31 -4.98 117.00 113.96 1r2u n LEU 12 Ca -0.11 0.94 -0.25 0.00 -0.03 0.00 0.00 56.01 56.56 1r2u n LEU 12 Cb 1.01 -1.49 -0.07 0.00 -2.33 0.00 0.00 43.42 40.53 1r2u n LEU 12 CO 0.46 0.13 -0.19 0.42 -1.33 0.00 0.00 177.39 176.89 1r2u s THR 13 N 3.94 2.43 0.48 -5.08 -4.23 -1.26 -5.00 115.64 106.92 1r2u s THR 13 Ca 0.88 -1.74 0.14 0.00 -1.18 0.00 0.00 61.69 59.79 1r2u s THR 13 Cb -0.51 -2.97 0.25 0.00 1.34 0.00 0.00 72.50 70.61 1r2u s THR 13 CO 0.43 -0.05 2.09 -0.78 -0.54 0.00 0.00 174.62 175.77 1r2u h ASP 14 N 1.50 0.08 -0.19 3.99 3.58 -1.98 -2.45 116.42 120.95 1r2u h ASP 14 Ca -0.43 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.00 1r2u h ASP 14 Cb 1.25 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 1r2u h ASP 14 CO 0.69 0.11 0.05 -0.33 -2.88 0.00 0.00 179.24 176.88 1r2u h GLU 15 N 0.09 0.31 -0.43 0.28 5.08 -1.98 0.32 114.58 118.24 1r2u h GLU 15 Ca 0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1r2u h GLU 15 Cb 0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1r2u h GLU 15 CO 0.00 0.43 0.09 -0.56 -1.00 0.00 0.00 179.01 177.97 1r2u h GLN 16 N 0.13 0.65 0.00 2.33 3.07 -1.86 -1.66 115.11 117.77 1r2u h GLN 16 Ca 0.06 -0.12 -0.10 0.00 0.09 0.00 0.00 58.65 58.58 1r2u h GLN 16 Cb 0.26 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.70 1r2u h GLN 16 CO -0.00 0.61 -0.48 0.87 0.09 0.00 0.00 178.83 179.92 1r2u h LYS 17 N 0.64 0.00 -0.33 0.06 6.56 -1.27 -1.86 116.57 120.36 1r2u h LYS 17 Ca 0.14 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.68 1r2u h LYS 17 Cb 0.26 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.91 1r2u h LYS 17 CO -0.00 0.48 -0.02 -0.91 -2.06 0.00 0.00 179.45 176.94 1r2u h ASN 18 N 0.00 0.59 -0.25 0.86 2.35 0.52 0.41 115.58 120.06 1r2u h ASN 18 Ca -0.00 -0.32 -0.20 0.00 -0.55 0.00 0.00 56.30 55.23 1r2u h ASN 18 Cb 1.27 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1r2u h ASN 18 CO 0.06 0.77 -0.61 -0.33 -1.65 0.00 0.00 177.43 175.67 1r2u h GLU 19 N 0.39 0.85 -0.51 0.81 5.08 -1.38 -2.08 114.58 117.75 1r2u h GLU 19 Ca 0.09 -0.59 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 1r2u h GLU 19 Cb 0.48 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1r2u h GLU 19 CO 0.02 1.21 0.07 0.74 -1.00 0.00 0.00 179.01 180.06 1r2u h PHE 20 N 0.62 0.90 -0.38 4.33 -1.00 -1.23 0.23 116.94 120.41 1r2u h PHE 20 Ca -0.01 -0.13 -0.06 0.00 2.81 0.00 0.00 57.97 60.58 1r2u h PHE 20 Cb 1.23 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 40.53 1r2u h PHE 20 CO 0.08 0.82 -0.01 -0.22 -1.61 0.00 0.00 178.31 177.37 1r2u h LYS 21 N 0.72 0.69 -0.25 1.51 1.63 -0.19 -0.35 116.57 120.32 1r2u h LYS 21 Ca 0.15 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 1r2u h LYS 21 Cb 0.41 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1r2u h LYS 21 CO 0.01 0.79 -0.06 0.00 -3.45 0.00 0.00 179.45 176.74 1r2u h ALA 22 N 0.87 0.34 0.00 5.00 0.00 -1.28 0.30 119.26 124.49 1r2u h ALA 22 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1r2u h ALA 22 Cb 0.48 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1r2u h ALA 22 CO 0.02 0.14 -0.07 0.00 0.00 0.00 0.00 179.25 179.34 1r2u h ALA 23 N 0.76 1.44 0.00 0.00 0.00 -0.47 -1.32 119.26 119.68 1r2u h ALA 23 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1r2u h ALA 23 Cb 0.52 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1r2u h ALA 23 CO 0.02 0.09 -0.47 0.35 0.00 0.00 0.00 179.25 179.24 1r2u h PHE 24 N 0.00 0.00 -0.98 0.00 3.57 -0.72 -3.37 116.94 115.44 1r2u h PHE 24 Ca -0.00 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.64 1r2u h PHE 24 Cb 0.18 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.84 1r2u h PHE 24 CO 0.00 0.66 0.62 0.22 -2.23 0.00 0.00 178.31 177.58 1r2u h ASP 25 N -1.00 0.85 -0.84 0.41 3.58 -0.30 -0.19 116.42 118.92 1r2u h ASP 25 Ca -0.10 0.06 0.12 0.00 0.42 0.00 0.00 57.03 57.53 1r2u h ASP 25 Cb 0.73 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.61 1r2u h ASP 25 CO -0.06 0.42 0.55 0.16 -2.88 0.00 0.00 179.24 177.42 1r2u h ILE 26 N 0.89 0.90 0.00 2.25 3.07 -1.42 -0.02 117.51 123.19 1r2u h ILE 26 Ca 0.51 -0.25 -0.24 0.00 1.55 0.00 0.00 64.86 66.43 1r2u h ILE 26 Cb 0.62 0.11 -0.04 0.00 -0.27 0.00 0.00 36.82 37.25 1r2u h ILE 26 CO -0.28 0.13 -1.31 -0.26 -1.05 0.00 0.00 178.15 175.38 1r2u h PHE 27 N 0.72 0.00 -0.58 0.16 0.04 -1.36 -3.31 116.94 112.62 1r2u h PHE 27 Ca 0.40 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.94 1r2u h PHE 27 Cb 0.56 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.57 1r2u h PHE 27 CO -0.00 0.97 0.29 -0.89 -0.60 0.00 0.00 178.31 178.08 1r2u n ILE 28 N -3.19 2.30 -0.07 -0.55 2.08 -0.22 -4.33 119.36 115.38 1r2u n ILE 28 Ca -0.08 -1.19 -0.05 0.00 0.56 0.00 0.00 62.75 61.99 1r2u n ILE 28 Cb 0.98 -0.54 0.15 0.00 -0.75 0.00 0.00 39.64 39.48 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 1.41 0.71 -0.33 0.38 3.07 -1.15 -3.33 115.11 115.88 1r2u h GLN 29 Ca 0.28 -0.24 -0.22 0.00 0.09 0.00 0.00 58.65 58.56 1r2u h GLN 29 Cb 2.02 -0.06 -0.34 0.00 0.08 0.00 0.00 27.48 29.18 1r2u h GLN 29 CO 0.61 0.81 -0.91 -0.25 0.09 0.00 0.00 178.83 179.19 1r2u n ASP 30 N -4.16 0.81 -4.75 0.06 8.00 -1.26 -5.13 116.55 110.13 1r2u n ASP 30 Ca 0.01 -2.08 -0.31 0.00 0.71 0.00 0.00 54.79 53.12 1r2u n ASP 30 Cb 0.37 -0.19 0.10 0.00 -0.02 0.00 0.00 41.12 41.38 1r2u n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r2u s ALA 31 N -2.82 2.10 -0.07 2.24 0.00 -1.25 -4.98 121.76 116.96 1r2u s ALA 31 Ca 0.23 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.33 1r2u s ALA 31 Cb 0.35 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.90 1r2u s ALA 31 CO -0.06 -1.95 0.96 0.93 0.00 0.00 0.00 175.76 175.64 1r2u h GLU 32 N -1.14 0.11 0.00 0.00 3.07 -1.95 -3.40 114.58 111.27 1r2u h GLU 32 Ca -0.44 -0.14 -0.30 0.00 -0.50 0.00 0.00 59.36 57.99 1r2u h GLU 32 Cb 1.24 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 29.14 1r2u h GLU 32 CO 0.49 0.93 -2.12 -0.25 -1.40 0.00 0.00 179.01 176.66 1r2u n ASP 33 N -4.54 1.86 0.00 1.42 9.92 -1.26 -5.04 116.55 118.92 1r2u n ASP 33 Ca -0.10 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1r2u n ASP 33 Cb 0.50 0.19 0.00 0.00 -0.64 0.00 0.00 41.12 41.17 1r2u n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1r2u n GLY 34 N 2.32 0.99 3.73 0.44 0.00 -1.26 -5.16 105.19 106.25 1r2u n GLY 34 Ca -0.32 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.77 2.32 -0.01 0.00 -5.25 -0.62 -4.82 121.20 109.05 1r2u s ILE 36 Ca 0.17 -1.16 -0.15 0.00 -0.99 0.00 0.00 60.65 58.52 1r2u s ILE 36 Cb -0.04 -2.47 -0.06 0.00 2.95 0.00 0.00 42.46 42.85 1r2u s ILE 36 CO 0.09 0.00 0.41 -0.55 -1.79 0.00 0.00 174.94 173.10 1r2u s SER 37 N -4.43 6.79 0.33 4.36 0.15 -1.26 0.18 113.70 119.82 1r2u s SER 37 Ca 0.52 0.94 0.03 0.00 0.70 0.00 0.00 55.95 58.15 1r2u s SER 37 Cb -0.05 -2.25 0.64 0.00 -1.71 0.00 0.00 66.02 62.64 1r2u s SER 37 CO 0.32 0.29 1.94 0.71 1.20 0.00 0.00 173.24 177.70 1r2u h THR 38 N 3.81 1.04 -0.23 6.45 1.35 -1.84 -0.07 112.91 123.42 1r2u h THR 38 Ca -0.50 -0.30 -0.05 0.00 -0.55 0.00 0.00 66.41 65.00 1r2u h THR 38 Cb 1.21 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 67.70 1r2u h THR 38 CO 0.63 0.16 -0.09 0.11 -0.25 0.00 0.00 175.52 176.08 1r2u h LYS 39 N 0.89 0.36 0.00 4.72 1.79 -1.93 -1.80 116.57 120.59 1r2u h LYS 39 Ca 0.35 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1r2u h LYS 39 Cb 0.23 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1r2u h LYS 39 CO -0.12 0.46 0.00 0.39 -1.08 0.00 0.00 179.45 179.10 1r2u n GLU 40 N -4.26 0.84 -0.35 3.15 1.02 -0.07 -3.84 120.64 117.13 1r2u n GLU 40 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.17 1r2u n GLU 40 Cb 0.27 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.95 -2.18 -4.62 7.12 -1.02 0.27 115.31 115.83 1r2u h LEU 41 Ca 0.00 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.03 1r2u h LEU 41 Cb 0.07 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.02 1r2u h LEU 41 CO 0.00 0.59 0.00 1.23 -0.13 0.00 0.00 178.44 180.13 1r2u h GLY 42 N 1.07 0.00 1.02 3.75 0.00 -1.79 -2.64 103.07 104.49 1r2u h GLY 42 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.40 1r2u h GLY 42 CO -0.19 0.00 -1.68 1.70 0.00 0.00 0.00 176.54 176.37 1r2u h LYS 43 N 0.00 0.43 -0.17 4.80 1.63 -1.21 -3.29 116.57 118.76 1r2u h LYS 43 Ca 0.00 -0.74 -0.09 0.00 -0.85 0.00 0.00 60.65 58.98 1r2u h LYS 43 Cb 0.26 0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1r2u h LYS 43 CO 0.00 1.35 -0.27 -0.39 -3.45 0.00 0.00 179.45 176.69 1r2u h VAL 44 N 0.12 1.26 -0.56 2.00 -1.51 -1.17 -2.49 116.25 113.89 1r2u h VAL 44 Ca -0.32 -1.21 -0.03 0.00 -1.23 0.00 0.00 66.70 63.91 1r2u h VAL 44 Cb 2.12 1.42 -0.03 0.00 -2.13 0.00 0.00 31.29 32.68 1r2u h VAL 44 CO 0.20 0.37 0.24 0.24 -1.23 0.00 0.00 177.57 177.39 1r2u h MET 45 N 0.29 0.81 -0.57 5.19 2.86 -1.60 -0.83 114.93 121.08 1r2u h MET 45 Ca 0.04 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 1r2u h MET 45 Cb 0.63 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1r2u h MET 45 CO 0.05 0.65 0.10 0.00 1.06 0.00 0.00 176.91 178.77 1r2u h ARG 46 N 0.80 0.91 -0.19 1.72 3.08 -1.19 0.34 114.38 119.84 1r2u h ARG 46 Ca 0.19 -0.21 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1r2u h ARG 46 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1r2u h ARG 46 CO -0.02 0.84 -0.55 0.52 -1.07 0.00 0.00 179.97 179.69 1r2u h MET 47 N 0.86 0.57 0.34 0.04 2.86 -1.20 -3.33 114.93 115.06 1r2u h MET 47 Ca 0.18 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1r2u h MET 47 Cb 0.37 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1r2u h MET 47 CO 0.01 0.97 -0.16 -0.07 1.06 0.00 0.00 176.91 178.71 1r2u h LEU 48 N 0.44 -0.39 0.00 1.22 3.38 -0.85 -3.48 115.31 115.63 1r2u h LEU 48 Ca 0.01 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r2u h LEU 48 Cb 1.09 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1r2u h LEU 48 CO 0.10 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1r2u n GLY 49 N 0.58 -0.73 3.38 0.83 0.00 0.39 -5.10 105.19 104.55 1r2u n GLY 49 Ca -0.06 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 0.94 -0.40 1.61 -0.21 0.90 -4.99 119.66 117.52 1r2u s GLN 50 Ca 0.00 -0.12 0.07 0.00 0.02 0.00 0.00 55.36 55.33 1r2u s GLN 50 Cb 0.00 0.43 0.23 0.00 1.00 0.00 0.00 33.01 34.67 1r2u s GLN 50 CO 0.00 -0.31 0.49 -1.71 -2.12 0.00 0.00 175.29 171.64 1r2u n ASN 51 N 0.74 -0.10 -2.11 5.90 2.85 -1.26 -2.61 115.26 118.67 1r2u n ASN 51 Ca -0.19 -2.64 0.00 0.00 -0.11 0.00 0.00 54.58 51.64 1r2u n ASN 51 Cb 0.58 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 41.08 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 1.74 0.43 -3.80 1.20 -0.04 -1.26 -5.12 135.00 128.16 1r2u n PRO 52 Ca 0.23 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.47 1r2u n PRO 52 Cb 0.52 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 -0.44 2.78 0.27 0.52 -4.23 -1.26 -4.98 115.64 108.31 1r2u s THR 53 Ca 0.00 -1.47 0.18 0.00 -1.18 0.00 0.00 61.69 59.21 1r2u s THR 53 Cb 0.00 -3.02 0.13 0.00 1.34 0.00 0.00 72.50 70.95 1r2u s THR 53 CO 0.00 -0.06 1.80 1.55 -0.54 0.00 0.00 174.62 177.38 1r2u h PRO 54 N 1.22 0.00 0.09 3.99 0.13 -1.99 -1.42 132.00 134.02 1r2u h PRO 54 Ca -0.43 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.42 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 -1.39 0.93 -0.23 0.00 0.00 178.00 178.27 1r2u h GLU 55 N 0.00 0.19 0.44 0.86 4.39 -1.99 -2.90 114.58 115.56 1r2u h GLU 55 Ca -0.00 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1r2u h GLU 55 Cb 0.76 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.53 1r2u h GLU 55 CO 0.05 1.06 -0.21 1.49 -1.16 0.00 0.00 179.01 180.23 1r2u h GLU 56 N 0.05 -0.57 0.00 2.33 4.81 -1.92 -3.10 114.58 116.19 1r2u h GLU 56 Ca -0.18 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1r2u h GLU 56 Cb 1.96 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 31.47 1r2u h GLU 56 CO 0.16 -0.26 -0.02 1.37 -0.73 0.00 0.00 179.01 179.53 1r2u h LEU 57 N -0.97 0.00 -0.87 1.64 8.10 -1.42 -2.38 115.31 119.41 1r2u h LEU 57 Ca -0.06 0.00 0.11 0.00 0.11 0.00 0.00 57.88 58.04 1r2u h LEU 57 Cb 0.57 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.71 1r2u h LEU 57 CO 0.10 0.02 0.50 -0.61 -4.11 0.00 0.00 178.44 174.34 1r2u h GLN 58 N 0.00 0.78 -0.57 0.17 -0.00 -1.43 -1.27 115.11 112.79 1r2u h GLN 58 Ca -0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.49 1r2u h GLN 58 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.33 1r2u h GLN 58 CO 0.00 0.51 -0.07 0.93 0.00 0.00 0.00 178.83 180.21 1r2u h GLU 59 N 0.80 1.06 -0.81 1.69 4.39 -1.47 -2.97 114.58 117.28 1r2u h GLU 59 Ca 0.44 -0.37 0.04 0.00 0.34 0.00 0.00 59.36 59.80 1r2u h GLU 59 Cb 0.46 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.98 1r2u h GLU 59 CO -0.28 1.07 0.51 0.52 -1.16 0.00 0.00 179.01 179.68 1r2u h MET 60 N 0.95 0.96 0.07 2.33 2.86 -1.31 -0.98 114.93 119.81 1r2u h MET 60 Ca 0.15 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1r2u h MET 60 Cb 0.64 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1r2u h MET 60 CO 0.04 0.64 -0.05 0.82 1.06 0.00 0.00 176.91 179.42 1r2u h ILE 61 N 0.99 0.00 -0.92 -1.22 2.04 -1.21 -0.25 117.51 116.95 1r2u h ILE 61 Ca 0.33 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.42 1r2u h ILE 61 Cb 0.04 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.06 1r2u h ILE 61 CO -0.12 0.00 0.62 -0.78 0.00 0.00 0.00 178.15 177.87 1r2u h ASP 62 N -0.11 0.25 -0.02 1.72 1.82 -1.51 0.51 116.42 119.08 1r2u h ASP 62 Ca -0.01 0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1r2u h ASP 62 Cb 0.09 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 1r2u h ASP 62 CO 0.00 0.09 -0.00 -0.33 -1.61 0.00 0.00 179.24 177.39 1r2u h GLU 63 N 0.25 0.04 0.00 0.28 5.08 -0.94 -3.26 114.58 116.03 1r2u h GLU 63 Ca 0.47 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.68 1r2u h GLU 63 Cb 1.42 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1r2u h GLU 63 CO -0.12 0.38 -0.68 -0.39 -1.00 0.00 0.00 179.01 177.20 1r2u h VAL 64 N -0.30 0.99 -1.23 3.13 -1.51 0.03 -3.43 116.25 113.93 1r2u h VAL 64 Ca 0.01 -2.42 -0.32 0.00 -1.23 0.00 0.00 66.70 62.73 1r2u h VAL 64 Cb 0.37 2.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 1r2u h VAL 64 CO 0.00 0.56 1.02 -0.62 -1.23 0.00 0.00 177.57 177.31 1r2u s ASP 65 N -6.45 4.55 0.08 4.19 -1.08 0.17 -4.73 116.67 113.41 1r2u s ASP 65 Ca 0.03 0.41 -0.16 0.00 -0.52 0.00 0.00 52.55 52.31 1r2u s ASP 65 Cb 0.08 -2.53 -0.11 0.00 -1.46 0.00 0.00 42.92 38.90 1r2u s ASP 65 CO 0.77 -3.03 1.38 -0.33 0.52 0.00 0.00 175.17 174.47 1r2u h GLU 66 N 15.66 0.65 0.17 4.34 4.39 -1.86 -3.30 114.58 134.63 1r2u h GLU 66 Ca -0.13 -0.38 -0.32 0.00 0.34 0.00 0.00 59.36 58.87 1r2u h GLU 66 Cb 1.14 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1r2u h GLU 66 CO 1.14 0.99 -1.54 0.38 -1.16 0.00 0.00 179.01 178.82 1r2u h ASP 67 N 0.36 0.57 -3.12 1.42 3.04 -1.97 -3.49 116.42 113.23 1r2u h ASP 67 Ca 0.03 -0.73 -0.10 0.00 -3.24 0.00 0.00 57.03 52.99 1r2u h ASP 67 Cb 0.92 -0.19 0.05 0.00 -1.04 0.00 0.00 39.33 39.07 1r2u h ASP 67 CO 0.08 1.59 -0.24 0.61 -2.04 0.00 0.00 179.24 179.25 1r2u n GLY 68 N 1.71 0.19 0.11 7.15 0.00 -1.24 -5.00 105.19 108.11 1r2u n GLY 68 Ca -0.18 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.65 1.89 0.00 1.61 3.41 -1.26 -5.03 113.62 112.59 1r2u n SER 69 Ca -0.09 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1r2u n SER 69 Cb 0.55 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 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 1.40 0.81 3.79 5.00 0.00 -1.26 -5.14 105.19 109.78 1r2u n GLY 70 Ca -0.35 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 4.56 -0.28 2.61 -4.23 -1.26 -2.69 115.64 114.34 1r2u s THR 71 Ca 0.00 -0.87 -0.10 0.00 -1.18 0.00 0.00 61.69 59.54 1r2u s THR 71 Cb 0.00 -3.25 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 1r2u s THR 71 CO 0.00 0.03 0.15 -0.69 -0.54 0.00 0.00 174.62 173.57 1r2u s VAL 72 N -1.53 4.83 0.74 2.29 1.01 0.13 -4.87 120.40 123.00 1r2u s VAL 72 Ca 0.30 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.11 1r2u s VAL 72 Cb -0.11 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.03 1r2u s VAL 72 CO 0.23 0.22 1.05 -1.81 0.00 0.00 0.00 175.10 174.78 1r2u s ASP 73 N 1.68 4.45 0.39 3.32 1.01 -1.26 -1.59 116.67 124.67 1r2u s ASP 73 Ca 0.06 0.23 0.08 0.00 0.71 0.00 0.00 52.55 53.63 1r2u s ASP 73 Cb -0.16 -0.73 0.79 0.00 1.01 0.00 0.00 42.92 43.84 1r2u s ASP 73 CO 0.08 -1.82 1.96 0.15 0.21 0.00 0.00 175.17 175.74 1r2u h PHE 74 N -0.73 0.38 -0.48 4.23 3.57 -1.98 0.29 116.94 122.22 1r2u h PHE 74 Ca -0.43 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 1r2u h PHE 74 Cb 1.29 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1r2u h PHE 74 CO -0.03 0.37 -0.14 -0.44 -2.23 0.00 0.00 178.31 175.84 1r2u h ASP 75 N 0.37 0.91 1.78 0.41 3.32 -2.00 -1.11 116.42 120.10 1r2u h ASP 75 Ca 0.09 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1r2u h ASP 75 Cb 0.22 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1r2u h ASP 75 CO 0.00 1.05 -0.22 -0.33 -1.72 0.00 0.00 179.24 178.02 1r2u h GLU 76 N 0.81 0.00 0.05 3.56 5.08 -1.70 -3.04 114.58 119.33 1r2u h GLU 76 Ca 0.12 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 1r2u h GLU 76 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1r2u h GLU 76 CO 0.05 0.09 -1.04 0.35 -1.00 0.00 0.00 179.01 177.46 1r2u h PHE 77 N 0.00 0.56 0.13 4.33 3.57 -0.10 -3.27 116.94 122.16 1r2u h PHE 77 Ca -0.00 -0.34 -0.30 0.00 3.53 0.00 0.00 57.97 60.86 1r2u h PHE 77 Cb 1.08 -0.05 0.03 0.00 2.79 0.00 0.00 35.95 39.79 1r2u h PHE 77 CO 0.00 1.19 -1.27 -0.07 -2.23 0.00 0.00 178.31 175.93 1r2u h LEU 78 N 0.17 0.83 -2.48 0.59 3.38 -1.26 -3.25 115.31 113.28 1r2u h LEU 78 Ca -0.10 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1r2u h LEU 78 Cb 1.71 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1r2u h LEU 78 CO 0.18 1.59 0.00 -0.37 0.09 0.00 0.00 178.44 179.93 1r2u h VAL 79 N 0.24 0.52 -1.25 1.22 -1.51 -1.64 -2.50 116.25 111.33 1r2u h VAL 79 Ca -0.19 0.00 0.38 0.00 -1.23 0.00 0.00 66.70 65.66 1r2u h VAL 79 Cb 1.94 1.00 -0.11 0.00 -2.13 0.00 0.00 31.29 31.99 1r2u h VAL 79 CO 0.24 0.00 0.82 0.24 -1.23 0.00 0.00 177.57 177.64 1r2u h MET 80 N 0.00 0.16 0.32 5.19 2.86 -1.61 0.74 114.93 122.59 1r2u h MET 80 Ca 0.00 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1r2u h MET 80 Cb 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1r2u h MET 80 CO -0.00 0.11 -0.15 0.52 1.06 0.00 0.00 176.91 178.44 1r2u h MET 81 N 0.17 -0.41 -0.53 1.72 2.86 -1.69 -2.99 114.93 114.05 1r2u h MET 81 Ca 0.74 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 58.39 1r2u h MET 81 Cb 2.28 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 34.00 1r2u h MET 81 CO -0.34 -0.13 0.28 -0.39 1.06 0.00 0.00 176.91 177.39 1r2u h VAL 82 N -1.01 1.17 0.00 -2.22 -1.51 -1.28 -1.59 116.25 109.82 1r2u h VAL 82 Ca -0.04 -0.45 -0.02 0.00 -1.23 0.00 0.00 66.70 64.96 1r2u h VAL 82 Cb 0.48 0.47 -0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1r2u h VAL 82 CO 0.07 0.19 -0.07 0.03 -1.23 0.00 0.00 177.57 176.56 1r2u h ARG 83 N 0.74 0.00 0.00 5.19 2.47 0.34 -1.69 114.38 121.43 1r2u h ARG 83 Ca 0.19 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.91 1r2u h ARG 83 Cb 0.05 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1r2u h ARG 83 CO -0.03 0.07 0.00 0.00 0.56 0.00 0.00 179.97 180.57 1r2u n MET 85 N -2.42 0.00 0.00 0.00 2.81 -0.64 -4.73 117.12 112.14 1r2u n MET 85 Ca 0.03 0.31 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1r2u n MET 85 Cb 0.29 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 1r2u n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1r2u n LYS 86 N -1.40 0.00 -2.46 0.03 5.02 -1.25 -4.80 118.16 113.31 1r2u n LYS 86 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1r2u n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1r2u n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r2u n ASP 87 N 1.29 -6.49 -4.30 4.39 8.00 -1.26 -4.90 116.55 113.28 1r2u n ASP 87 Ca 0.00 0.76 -0.44 0.00 0.71 0.00 0.00 54.79 55.83 1r2u n ASP 87 Cb 0.00 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 1r2u n ASP 87 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1r2u n ASP 88 N 0.11 5.18 0.00 -2.24 9.92 -1.26 -5.20 116.55 123.06 1r2u n ASP 88 Ca 0.04 -3.01 0.00 0.00 -0.53 0.00 0.00 54.79 51.29 1r2u n ASP 88 Cb 0.16 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.09 1r2u n ASP 88 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79