#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2w h ASN 18 N 0.00 0.54 -0.00 4.52 2.35 -2.05 -0.60 115.58 120.33 1u2w h ASN 18 Ca 0.00 0.07 -0.22 0.00 -0.55 0.00 0.00 56.30 55.60 1u2w h ASN 18 Cb 0.00 -0.02 0.01 0.00 0.05 0.00 0.00 38.32 38.36 1u2w h ASN 18 CO 0.00 0.27 -0.81 0.08 -1.65 0.00 0.00 177.43 175.32 1u2w h ARG 19 N 0.66 0.67 -0.26 0.81 0.11 -2.05 -2.19 114.38 112.11 1u2w h ARG 19 Ca 0.41 -0.57 -0.18 0.00 0.10 0.00 0.00 59.98 59.74 1u2w h ARG 19 Cb 0.49 0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.70 1u2w h ARG 19 CO -0.31 1.19 -0.54 0.82 0.10 0.00 0.00 179.97 181.22 1u2w h ILE 20 N 0.44 1.29 -0.85 0.08 2.04 -1.88 -0.30 117.51 118.33 1u2w h ILE 20 Ca -0.06 -1.75 0.03 0.00 1.00 0.00 0.00 64.86 64.09 1u2w h ILE 20 Cb 1.43 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 39.12 1u2w h ILE 20 CO 0.16 0.56 0.55 -0.61 0.00 0.00 0.00 178.15 178.81 1u2w h GLN 21 N 0.60 1.03 -0.09 2.37 4.15 -1.16 -0.64 115.11 121.37 1u2w h GLN 21 Ca 0.01 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.40 1u2w h GLN 21 Cb 1.13 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 1u2w h GLN 21 CO 0.12 0.68 -0.06 0.78 -1.93 0.00 0.00 178.83 178.42 1u2w h GLY 22 N 1.06 0.02 0.55 2.39 0.00 -0.99 -2.07 103.07 104.04 1u2w h GLY 22 Ca 0.34 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.81 1u2w h GLY 22 CO -0.12 -0.07 0.19 -0.55 0.00 0.00 0.00 176.54 175.99 1u2w h ASP 23 N -0.06 0.21 -0.81 0.19 3.32 -0.55 -2.20 116.42 116.52 1u2w h ASP 23 Ca 0.06 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.26 1u2w h ASP 23 Cb 0.14 0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.65 1u2w h ASP 23 CO -0.13 0.15 0.45 -0.07 -1.72 0.00 0.00 179.24 177.92 1u2w h LEU 24 N 0.38 0.62 -1.47 1.55 3.38 -1.04 -0.33 115.31 118.39 1u2w h LEU 24 Ca 0.24 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1u2w h LEU 24 Cb 0.24 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1u2w h LEU 24 CO -0.23 0.34 0.00 1.56 0.09 0.00 0.00 178.44 180.20 1u2w h GLN 25 N 0.74 0.00 -0.02 1.13 4.20 -0.75 -2.62 115.11 117.78 1u2w h GLN 25 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 1u2w h GLN 25 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1u2w h GLN 25 CO -0.26 0.00 -0.31 0.25 -0.67 0.00 0.00 178.83 177.84 1u2w n THR 26 N -2.66 0.00 -4.36 -0.54 -2.24 -0.15 -4.91 114.28 99.42 1u2w n THR 26 Ca 0.00 -0.28 -0.24 0.00 -2.27 0.00 0.00 64.05 61.27 1u2w n THR 26 Cb 0.19 1.07 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 1u2w n THR 26 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1u2w s VAL 27 N -2.36 1.98 -1.36 2.28 -7.23 -0.99 -5.04 120.40 107.68 1u2w s VAL 27 Ca 0.23 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1u2w s VAL 27 Cb 0.19 -1.91 0.11 0.00 0.56 0.00 0.00 36.38 35.33 1u2w s VAL 27 CO 0.49 -0.22 2.09 -0.67 -0.31 0.00 0.00 175.10 176.47 1u2w n ASP 28 N 0.36 4.96 0.00 4.85 2.03 -1.26 -4.70 116.55 122.79 1u2w n ASP 28 Ca -0.14 -2.99 -0.02 0.00 0.52 0.00 0.00 54.79 52.17 1u2w n ASP 28 Cb 0.56 -1.54 0.25 0.00 -0.72 0.00 0.00 41.12 39.67 1u2w n ASP 28 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1u2w h ILE 29 N 3.74 1.23 -0.54 5.18 2.04 -1.97 -0.81 117.51 126.37 1u2w h ILE 29 Ca 0.50 -1.00 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1u2w h ILE 29 Cb 0.60 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.75 1u2w h ILE 29 CO 1.73 0.33 0.26 -1.28 0.00 0.00 0.00 178.15 179.19 1u2w h SER 30 N 0.47 0.35 -0.68 1.72 0.87 -1.97 -0.37 113.55 113.95 1u2w h SER 30 Ca 0.09 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1u2w h SER 30 Cb 0.48 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 1u2w h SER 30 CO 0.03 0.24 0.22 1.23 -0.53 0.00 0.00 176.83 178.02 1u2w h GLY 31 N 0.50 1.14 0.82 5.77 0.00 -1.75 -1.23 103.07 108.32 1u2w h GLY 31 Ca 0.25 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.94 1u2w h GLY 31 CO -0.19 0.62 0.19 -2.08 0.00 0.00 0.00 176.54 175.08 1u2w h VAL 32 N 1.00 0.98 -0.70 4.60 2.07 -0.79 -1.83 116.25 121.58 1u2w h VAL 32 Ca 0.22 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1u2w h VAL 32 Cb 0.28 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1u2w h VAL 32 CO -0.01 0.07 0.42 0.28 0.02 0.00 0.00 177.57 178.35 1u2w h SER 33 N 0.39 0.65 -0.56 0.57 0.02 -0.82 -2.12 113.55 111.68 1u2w h SER 33 Ca 0.16 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1u2w h SER 33 Cb 0.06 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1u2w h SER 33 CO -0.11 0.43 0.36 1.56 -1.14 0.00 0.00 176.83 177.93 1u2w h GLN 34 N 0.78 0.70 -0.23 3.45 4.20 -0.88 0.14 115.11 123.27 1u2w h GLN 34 Ca 0.30 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.79 1u2w h GLN 34 Cb 0.12 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1u2w h GLN 34 CO -0.15 0.47 -0.56 0.97 -0.67 0.00 0.00 178.83 178.88 1u2w h ILE 35 N 0.72 1.29 -0.64 2.54 2.10 -1.24 -1.57 117.51 120.72 1u2w h ILE 35 Ca 0.21 -1.77 -0.05 0.00 1.08 0.00 0.00 64.86 64.34 1u2w h ILE 35 Cb -0.05 1.80 -0.03 0.00 -1.09 0.00 0.00 36.82 37.46 1u2w h ILE 35 CO -0.06 0.56 0.20 -0.07 -1.08 0.00 0.00 178.15 177.70 1u2w h LEU 36 N 0.52 0.93 -1.00 2.19 3.38 -1.31 -2.55 115.31 117.47 1u2w h LEU 36 Ca -0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 1u2w h LEU 36 Cb 1.18 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1u2w h LEU 36 CO 0.12 0.89 0.13 0.50 0.09 0.00 0.00 178.44 180.18 1u2w h LYS 37 N 0.92 0.85 -0.06 1.13 1.63 -0.66 -0.73 116.57 119.66 1u2w h LYS 37 Ca 0.21 -0.18 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1u2w h LYS 37 Cb 0.29 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 1u2w h LYS 37 CO -0.01 0.77 -0.04 0.00 -3.45 0.00 0.00 179.45 176.72 1u2w h ALA 38 N 1.32 0.01 -0.08 5.00 0.00 -1.15 -2.96 119.26 121.42 1u2w h ALA 38 Ca 0.18 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1u2w h ALA 38 Cb 0.30 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1u2w h ALA 38 CO -0.00 -0.52 -0.36 0.82 0.00 0.00 0.00 179.25 179.20 1u2w h ILE 39 N -0.04 1.28 0.00 0.00 2.04 -1.31 -3.31 117.51 116.16 1u2w h ILE 39 Ca 0.04 -1.34 -0.08 0.00 1.00 0.00 0.00 64.86 64.48 1u2w h ILE 39 Cb 0.10 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1u2w h ILE 39 CO -0.09 0.39 -0.38 0.00 0.00 0.00 0.00 178.15 178.07 1u2w h ALA 40 N 1.50 1.09 -2.29 1.87 0.00 -0.96 -2.79 119.26 117.68 1u2w h ALA 40 Ca 0.02 -0.35 -0.59 0.00 0.00 0.00 0.00 54.91 53.99 1u2w h ALA 40 Cb 0.70 -0.06 0.10 0.00 0.00 0.00 0.00 17.79 18.53 1u2w h ALA 40 CO 0.05 0.48 0.42 -3.47 0.00 0.00 0.00 179.25 176.73 1u2w n ASP 41 N -3.68 2.29 -0.22 0.00 -0.08 -1.19 -4.72 116.55 108.94 1u2w n ASP 41 Ca -0.01 1.18 -0.01 0.00 -1.51 0.00 0.00 54.79 54.44 1u2w n ASP 41 Cb 0.48 -1.40 0.10 0.00 2.34 0.00 0.00 41.12 42.64 1u2w n ASP 41 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1u2w h GLU 42 N 2.84 0.57 0.00 -0.67 3.07 -1.94 0.89 114.58 119.35 1u2w h GLU 42 Ca -0.44 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.24 1u2w h GLU 42 Cb 1.30 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1u2w h GLU 42 CO 0.66 0.38 -0.71 -0.91 -1.40 0.00 0.00 179.01 177.03 1u2w h ASN 43 N 0.59 0.00 0.72 1.42 2.35 -1.93 -2.90 115.58 115.82 1u2w h ASN 43 Ca 0.30 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.96 1u2w h ASN 43 Cb 0.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1u2w h ASN 43 CO -0.22 0.71 -0.47 0.03 -1.65 0.00 0.00 177.43 175.83 1u2w h ARG 44 N 0.00 0.00 -0.00 0.81 3.08 -1.57 -1.59 114.38 115.10 1u2w h ARG 44 Ca -0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.82 1u2w h ARG 44 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1u2w h ARG 44 CO 0.09 0.47 -0.92 0.00 -1.07 0.00 0.00 179.97 178.54 1u2w h ALA 45 N 1.53 0.39 -0.37 0.04 0.00 -0.58 -1.35 119.26 118.93 1u2w h ALA 45 Ca -0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 54.91 54.10 1u2w h ALA 45 Cb 0.95 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1u2w h ALA 45 CO 0.06 0.82 -0.17 0.87 0.00 0.00 0.00 179.25 180.83 1u2w h LYS 46 N 0.22 0.77 -0.10 0.00 1.57 -1.30 0.16 116.57 117.89 1u2w h LYS 46 Ca -0.07 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1u2w h LYS 46 Cb 1.55 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.82 1u2w h LYS 46 CO 0.16 0.95 -0.05 0.82 -0.57 0.00 0.00 179.45 180.76 1u2w h ILE 47 N 0.56 0.85 -0.71 1.86 2.04 -1.21 0.28 117.51 121.18 1u2w h ILE 47 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1u2w h ILE 47 Cb 0.72 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.60 1u2w h ILE 47 CO 0.05 0.00 0.45 0.74 0.00 0.00 0.00 178.15 179.40 1u2w h THR 48 N -0.03 1.13 -0.53 -0.27 2.02 -1.04 -1.24 112.91 112.95 1u2w h THR 48 Ca 0.06 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.85 1u2w h THR 48 Cb 0.12 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1u2w h THR 48 CO -0.13 0.16 0.02 0.22 0.37 0.00 0.00 175.52 176.16 1u2w h TYR 49 N 0.90 0.94 -0.50 3.16 3.20 -0.80 -2.65 116.97 121.22 1u2w h TYR 49 Ca 0.28 -0.14 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 1u2w h TYR 49 Cb -0.03 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1u2w h TYR 49 CO -0.03 0.85 -0.04 0.00 -1.64 0.00 0.00 178.16 177.29 1u2w h ALA 50 N 1.19 0.98 0.00 1.82 0.00 -0.37 -1.78 119.26 121.09 1u2w h ALA 50 Ca 0.16 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1u2w h ALA 50 Cb 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1u2w h ALA 50 CO 0.02 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.17 1u2w n LEU 51 N -4.18 0.00 0.05 0.00 4.77 -0.52 -1.30 117.00 115.83 1u2w n LEU 51 Ca 0.02 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.48 1u2w n LEU 51 Cb 0.34 -0.35 0.50 0.00 -2.33 0.00 0.00 43.42 41.59 1u2w n LEU 51 CO 0.43 -0.13 0.91 0.00 -1.33 0.00 0.00 177.39 177.27 1u2w n GLN 53 N -1.88 0.62 -3.93 0.00 1.13 -0.42 -4.96 117.38 107.95 1u2w n GLN 53 Ca 0.06 0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 55.04 1u2w n GLN 53 Cb 0.37 -1.72 -0.07 0.00 0.11 0.00 0.00 30.24 28.92 1u2w n GLN 53 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1u2w s ASP 54 N -5.06 0.08 0.25 1.08 -1.08 -1.24 -5.05 116.67 105.65 1u2w s ASP 54 Ca -0.03 -0.80 -0.01 0.00 -0.52 0.00 0.00 52.55 51.19 1u2w s ASP 54 Cb 0.11 0.40 0.30 0.00 -1.46 0.00 0.00 42.92 42.27 1u2w s ASP 54 CO 0.83 -0.83 1.69 -0.33 0.52 0.00 0.00 175.17 177.05 1u2w h GLU 55 N 2.62 0.67 -3.81 4.34 5.08 -1.93 -3.45 114.58 118.11 1u2w h GLU 55 Ca -0.33 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 57.64 1u2w h GLU 55 Cb 1.22 -0.05 -0.20 0.00 0.50 0.00 0.00 28.75 30.22 1u2w h GLU 55 CO 0.51 0.81 -0.61 -1.21 -1.00 0.00 0.00 179.01 177.52 1u2w s GLU 56 N -4.66 0.42 0.02 2.33 2.02 -1.26 -4.53 118.70 113.04 1u2w s GLU 56 Ca -0.08 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.33 1u2w s GLU 56 Cb 0.14 0.16 -0.02 0.00 0.10 0.00 0.00 34.13 34.51 1u2w s GLU 56 CO 0.81 -0.09 -0.04 -0.51 0.02 0.00 0.00 175.26 175.45 1u2w s LEU 57 N -1.59 2.17 0.64 1.80 1.43 -0.32 -4.92 118.68 117.89 1u2w s LEU 57 Ca -0.13 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 1u2w s LEU 57 Cb -0.07 -0.06 0.05 0.00 0.03 0.00 0.00 46.19 46.13 1u2w s LEU 57 CO -0.01 -0.16 0.92 0.00 0.23 0.00 0.00 176.35 177.33 1u2w h VAL 59 N -0.32 1.20 -0.32 0.00 3.04 -1.99 -2.00 116.25 115.86 1u2w h VAL 59 Ca -0.44 -0.84 -0.12 0.00 -1.01 0.00 0.00 66.70 64.29 1u2w h VAL 59 Cb 1.30 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.62 1u2w h VAL 59 CO 0.58 0.28 -0.26 0.00 -1.01 0.00 0.00 177.57 177.16 1u2w h ASP 61 N 0.50 -0.41 -0.12 0.00 3.32 -1.84 -1.09 116.42 116.79 1u2w h ASP 61 Ca 0.06 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 1u2w h ASP 61 Cb 0.82 0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.63 1u2w h ASP 61 CO 0.07 -0.15 0.03 0.40 -1.72 0.00 0.00 179.24 177.87 1u2w h ILE 62 N -0.00 1.20 -0.64 0.35 2.04 -1.04 0.75 117.51 120.16 1u2w h ILE 62 Ca 0.21 -0.62 0.12 0.00 1.00 0.00 0.00 64.86 65.58 1u2w h ILE 62 Cb 0.32 1.38 -0.12 0.00 -0.74 0.00 0.00 36.82 37.65 1u2w h ILE 62 CO -0.44 0.18 -0.22 0.00 0.00 0.00 0.00 178.15 177.67 1u2w h ALA 63 N 0.82 0.29 -0.35 1.87 0.00 -1.02 -0.28 119.26 120.59 1u2w h ALA 63 Ca 0.04 0.23 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1u2w h ALA 63 Cb 0.25 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1u2w h ALA 63 CO 0.00 -0.50 -0.33 -0.97 0.00 0.00 0.00 179.25 177.45 1u2w h ASN 64 N -0.06 0.90 -0.04 0.00 -1.24 -0.77 0.52 115.58 114.90 1u2w h ASN 64 Ca 0.29 -0.46 0.04 0.00 0.71 0.00 0.00 56.30 56.87 1u2w h ASN 64 Cb 0.51 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.26 1u2w h ASN 64 CO -0.68 1.18 -0.24 0.40 -1.29 0.00 0.00 177.43 176.80 1u2w h ILE 65 N 0.64 0.44 0.00 2.57 2.04 -0.64 -2.87 117.51 119.69 1u2w h ILE 65 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1u2w h ILE 65 Cb 0.92 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1u2w h ILE 65 CO 0.08 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.16 1u2w h LEU 66 N -0.35 0.00 -1.03 1.44 4.07 -0.97 -3.47 115.31 114.99 1u2w h LEU 66 Ca 0.07 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.76 1u2w h LEU 66 Cb 0.45 0.00 0.10 0.00 1.08 0.00 0.00 40.66 42.30 1u2w h LEU 66 CO -0.24 0.00 -0.49 0.61 -1.08 0.00 0.00 178.44 177.24 1u2w n GLY 67 N 0.07 -0.11 3.63 0.83 0.00 0.06 -5.06 105.19 104.62 1u2w n GLY 67 Ca 0.01 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1u2w n GLY 67 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u2w s VAL 68 N -3.23 1.45 0.80 1.61 -7.23 -0.54 -5.03 120.40 108.22 1u2w s VAL 68 Ca 0.35 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 1u2w s VAL 68 Cb -0.15 -2.61 0.07 0.00 0.56 0.00 0.00 36.38 34.24 1u2w s VAL 68 CO 0.52 0.00 1.09 0.42 -0.31 0.00 0.00 175.10 176.82 1u2w s THR 69 N -2.90 3.21 0.23 5.32 -4.23 -1.26 -4.55 115.64 111.47 1u2w s THR 69 Ca 0.24 0.39 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1u2w s THR 69 Cb 0.06 -2.95 0.13 0.00 1.34 0.00 0.00 72.50 71.09 1u2w s THR 69 CO 0.12 -0.51 1.77 0.40 -0.54 0.00 0.00 174.62 175.85 1u2w h ILE 70 N -1.18 1.25 -0.34 2.99 2.04 -1.93 -2.07 117.51 118.28 1u2w h ILE 70 Ca -0.46 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1u2w h ILE 70 Cb 1.25 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1u2w h ILE 70 CO 0.54 0.35 0.22 0.00 0.00 0.00 0.00 178.15 179.26 1u2w h ALA 71 N 1.20 0.43 -0.78 1.87 0.00 -1.97 0.22 119.26 120.22 1u2w h ALA 71 Ca 0.21 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1u2w h ALA 71 Cb 0.34 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1u2w h ALA 71 CO 0.00 -0.11 0.46 -0.97 0.00 0.00 0.00 179.25 178.64 1u2w h ASN 72 N 0.45 0.70 -0.44 0.00 -1.24 -1.89 0.49 115.58 113.65 1u2w h ASN 72 Ca 0.12 0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.07 1u2w h ASN 72 Cb -0.04 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 38.88 1u2w h ASN 72 CO -0.03 0.44 -0.09 0.00 -1.29 0.00 0.00 177.43 176.46 1u2w h ALA 73 N 1.40 0.61 -0.72 1.57 0.00 -0.92 -1.97 119.26 119.22 1u2w h ALA 73 Ca 0.35 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1u2w h ALA 73 Cb 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1u2w h ALA 73 CO -0.19 0.48 0.44 0.77 0.00 0.00 0.00 179.25 180.74 1u2w h SER 74 N 0.67 0.69 -0.53 0.00 0.02 -0.10 -0.08 113.55 114.21 1u2w h SER 74 Ca 0.11 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1u2w h SER 74 Cb 0.62 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 1u2w h SER 74 CO 0.04 0.46 0.29 -0.74 -1.14 0.00 0.00 176.83 175.74 1u2w h HIS 75 N 0.83 0.73 -0.47 3.45 6.17 -0.69 -2.43 115.15 122.73 1u2w h HIS 75 Ca 0.31 -0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.27 1u2w h HIS 75 Cb 0.11 -0.23 -0.02 0.00 2.52 0.00 0.00 27.41 29.79 1u2w h HIS 75 CO -0.05 0.54 -0.10 0.45 0.71 0.00 0.00 177.93 179.48 1u2w h HIS 76 N 0.72 0.93 -0.09 5.26 3.86 -0.97 -2.32 115.15 122.54 1u2w h HIS 76 Ca 0.19 -0.17 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 1u2w h HIS 76 Cb 0.05 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1u2w h HIS 76 CO -0.02 0.90 -0.19 -0.07 0.86 0.00 0.00 177.93 179.41 1u2w h LEU 77 N 0.77 0.32 0.00 2.43 3.38 -0.77 -1.61 115.31 119.83 1u2w h LEU 77 Ca 0.13 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1u2w h LEU 77 Cb 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1u2w h LEU 77 CO 0.04 0.83 0.00 -1.14 0.09 0.00 0.00 178.44 178.26 1u2w n ARG 78 N -4.55 0.00 -0.19 1.13 0.63 -0.94 -0.25 116.66 112.49 1u2w n ARG 78 Ca -0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 1u2w n ARG 78 Cb 0.41 0.00 0.10 0.00 0.45 0.00 0.00 32.46 33.41 1u2w n ARG 78 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1u2w h THR 79 N 0.00 0.60 -0.60 5.15 2.02 -1.08 -1.80 112.91 117.20 1u2w h THR 79 Ca 0.00 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 1u2w h THR 79 Cb 0.00 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 1u2w h THR 79 CO 0.00 0.04 0.01 -0.07 0.37 0.00 0.00 175.52 175.86 1u2w h LEU 80 N 0.20 1.03 -0.55 2.58 3.38 -1.04 -2.83 115.31 118.07 1u2w h LEU 80 Ca 0.31 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1u2w h LEU 80 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1u2w h LEU 80 CO -0.44 1.08 -0.06 0.22 0.09 0.00 0.00 178.44 179.33 1u2w h TYR 81 N 0.97 1.11 0.00 1.13 3.20 -0.29 0.60 116.97 123.69 1u2w h TYR 81 Ca 0.17 -0.21 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 1u2w h TYR 81 Cb 0.54 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1u2w h TYR 81 CO 0.04 1.02 -0.27 1.57 -1.64 0.00 0.00 178.16 178.88 1u2w h LYS 82 N 0.88 0.00 -0.15 1.82 2.10 -1.27 -1.84 116.57 118.12 1u2w h LYS 82 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1u2w h LYS 82 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1u2w h LYS 82 CO 0.04 0.27 0.00 1.04 -2.00 0.00 0.00 179.45 178.80 1u2w n GLN 83 N -3.95 1.73 -1.11 0.07 1.13 -0.92 -4.91 117.38 109.41 1u2w n GLN 83 Ca -0.02 -1.09 -0.04 0.00 -1.94 0.00 0.00 57.00 53.91 1u2w n GLN 83 Cb 0.34 -1.41 -0.02 0.00 0.11 0.00 0.00 30.24 29.27 1u2w n GLN 83 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1u2w n GLY 84 N 1.14 0.67 0.07 1.08 0.00 -0.69 -4.86 105.19 102.59 1u2w n GLY 84 Ca 0.16 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 1u2w n GLY 84 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u2w h VAL 85 N 0.00 1.50 -3.70 1.61 2.07 -1.12 -3.40 116.25 113.20 1u2w h VAL 85 Ca -0.08 -3.16 -0.41 0.00 0.82 0.00 0.00 66.70 63.87 1u2w h VAL 85 Cb 0.38 2.73 -0.19 0.00 -1.52 0.00 0.00 31.29 32.70 1u2w h VAL 85 CO 0.12 0.85 -0.76 0.68 0.02 0.00 0.00 177.57 178.48 1u2w s VAL 86 N -2.74 1.24 0.44 2.57 -7.23 -1.21 -0.70 120.40 112.77 1u2w s VAL 86 Ca 0.01 -1.60 0.07 0.00 -1.81 0.00 0.00 61.98 58.65 1u2w s VAL 86 Cb 0.09 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 1u2w s VAL 86 CO 0.81 -0.37 0.23 0.20 -0.31 0.00 0.00 175.10 175.66 1u2w s ASN 87 N -2.26 4.54 0.06 4.85 0.01 0.11 -4.44 114.94 117.81 1u2w s ASN 87 Ca 0.06 -1.08 -0.14 0.00 -0.71 0.00 0.00 52.86 50.98 1u2w s ASN 87 Cb -0.06 -0.31 0.02 0.00 0.41 0.00 0.00 41.25 41.31 1u2w s ASN 87 CO 0.03 -0.66 0.32 0.72 -1.51 0.00 0.00 177.10 175.99 1u2w s PHE 88 N -2.62 -0.11 0.28 2.20 -0.71 -1.26 -1.38 117.98 114.38 1u2w s PHE 88 Ca 0.39 -0.09 0.02 0.00 -1.04 0.00 0.00 56.93 56.21 1u2w s PHE 88 Cb 0.02 0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.89 1u2w s PHE 88 CO 0.22 -0.55 0.09 -0.98 -1.34 0.00 0.00 175.22 172.66 1u2w s ARG 89 N -2.93 1.49 -0.20 1.99 1.70 -0.33 -4.97 118.95 115.69 1u2w s ARG 89 Ca -0.02 -1.81 -0.02 0.00 -0.47 0.00 0.00 55.73 53.41 1u2w s ARG 89 Cb 0.00 -0.41 0.00 0.00 -0.57 0.00 0.00 34.95 33.97 1u2w s ARG 89 CO -0.06 -0.28 -0.11 0.21 -1.08 0.00 0.00 175.30 173.98 1u2w s LYS 90 N -3.99 3.21 -0.20 3.89 2.20 -1.26 -0.43 119.74 123.16 1u2w s LYS 90 Ca 0.37 -0.72 -0.09 0.00 -0.36 0.00 0.00 55.97 55.17 1u2w s LYS 90 Cb 0.08 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.54 1u2w s LYS 90 CO 0.14 -0.20 0.12 -1.21 -0.36 0.00 0.00 175.35 173.84 1u2w s GLU 91 N 1.39 4.12 0.00 4.03 0.41 -0.38 -4.94 118.70 123.32 1u2w s GLU 91 Ca 0.05 -0.26 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 1u2w s GLU 91 Cb -0.14 -3.39 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 1u2w s GLU 91 CO -0.08 0.25 0.00 0.41 -0.49 0.00 0.00 175.26 175.35 1u2w n GLY 92 N 3.67 1.40 0.12 -1.39 0.00 -1.26 -0.08 105.19 107.65 1u2w n GLY 92 Ca -0.16 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 1u2w n GLY 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u2w n LYS 93 N 0.00 0.73 -1.96 1.61 4.01 -1.26 -4.97 118.16 116.31 1u2w n LYS 93 Ca 0.00 0.26 -0.40 0.00 -0.51 0.00 0.00 58.31 57.66 1u2w n LYS 93 Cb 0.00 -1.72 -0.01 0.00 -0.51 0.00 0.00 35.03 32.79 1u2w n LYS 93 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1u2w s LEU 94 N -6.78 4.29 -0.22 -0.35 1.02 0.89 -5.01 118.68 112.53 1u2w s LEU 94 Ca -0.18 2.82 -0.16 0.00 0.02 0.00 0.00 54.13 56.63 1u2w s LEU 94 Cb 0.07 -3.77 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 1u2w s LEU 94 CO 0.78 -0.82 0.41 0.00 0.02 0.00 0.00 176.35 176.74 1u2w s ALA 95 N -1.18 3.56 -0.15 4.21 0.00 -1.26 -1.25 121.76 125.69 1u2w s ALA 95 Ca 0.54 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 1u2w s ALA 95 Cb -0.42 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.01 1u2w s ALA 95 CO 0.55 -0.39 -0.08 -0.51 0.00 0.00 0.00 175.76 175.34 1u2w s LEU 96 N 1.50 2.96 0.09 0.00 1.43 0.43 -3.98 118.68 121.12 1u2w s LEU 96 Ca 0.19 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1u2w s LEU 96 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1u2w s LEU 96 CO 0.08 0.14 0.12 -0.31 0.23 0.00 0.00 176.35 176.61 1u2w s TYR 97 N 0.51 3.25 0.23 0.29 2.02 -0.08 -1.18 117.35 122.38 1u2w s TYR 97 Ca -0.06 0.10 -0.08 0.00 -0.37 0.00 0.00 57.07 56.66 1u2w s TYR 97 Cb -0.15 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.76 1u2w s TYR 97 CO 0.03 0.53 0.33 -1.54 -1.57 0.00 0.00 175.55 173.34 1u2w s SER 98 N -2.53 0.03 0.40 2.29 1.04 -0.48 -1.17 113.70 113.28 1u2w s SER 98 Ca 0.31 -1.14 -0.27 0.00 0.48 0.00 0.00 55.95 55.33 1u2w s SER 98 Cb -0.12 0.50 -0.09 0.00 0.10 0.00 0.00 66.02 66.41 1u2w s SER 98 CO 0.23 -1.02 1.33 -0.76 0.98 0.00 0.00 173.24 174.01 1u2w s LEU 99 N -3.08 4.24 0.20 2.42 1.43 -1.26 -0.71 118.68 121.92 1u2w s LEU 99 Ca 0.30 2.73 -0.11 0.00 -1.03 0.00 0.00 54.13 56.01 1u2w s LEU 99 Cb 0.03 -3.85 0.15 0.00 0.03 0.00 0.00 46.19 42.55 1u2w s LEU 99 CO 0.11 -0.84 1.85 1.23 0.23 0.00 0.00 176.35 178.92 1u2w h GLY 100 N 2.77 0.95 -0.81 -3.19 0.00 -1.13 -3.39 103.07 98.27 1u2w h GLY 100 Ca -0.50 -0.33 0.09 0.00 0.00 0.00 0.00 47.33 46.60 1u2w h GLY 100 CO 0.63 0.29 0.34 2.09 0.00 0.00 0.00 176.54 179.89 1u2w n ASP 101 N -4.67 -0.99 0.21 0.19 5.68 -1.26 -4.84 116.55 110.86 1u2w n ASP 101 Ca 0.06 -1.52 0.06 0.00 -0.50 0.00 0.00 54.79 52.89 1u2w n ASP 101 Cb 0.06 1.62 0.44 0.00 -1.14 0.00 0.00 41.12 42.10 1u2w n ASP 101 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1u2w h GLU 102 N 0.00 0.00 -0.95 0.11 4.57 -2.00 -2.63 114.58 113.68 1u2w h GLU 102 Ca -0.16 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.15 1u2w h GLU 102 Cb 0.69 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.19 1u2w h GLU 102 CO 0.21 0.31 0.58 0.45 -1.18 0.00 0.00 179.01 179.38 1u2w h HIS 103 N 0.00 1.04 -0.07 0.92 3.86 -1.99 -0.26 115.15 118.66 1u2w h HIS 103 Ca -0.00 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1u2w h HIS 103 Cb 0.65 -0.33 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 1u2w h HIS 103 CO 0.00 0.39 0.04 0.82 0.86 0.00 0.00 177.93 180.05 1u2w h ILE 104 N 0.90 1.06 -0.76 2.45 1.08 -1.84 -1.24 117.51 119.17 1u2w h ILE 104 Ca 0.48 -0.15 0.09 0.00 -0.39 0.00 0.00 64.86 64.88 1u2w h ILE 104 Cb 0.50 1.03 -0.07 0.00 -3.07 0.00 0.00 36.82 35.21 1u2w h ILE 104 CO -0.28 0.05 0.41 -0.09 -0.69 0.00 0.00 178.15 177.55 1u2w h ARG 105 N 0.06 0.68 -0.59 2.37 2.43 -1.54 -2.09 114.38 115.70 1u2w h ARG 105 Ca 0.03 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1u2w h ARG 105 Cb 0.04 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1u2w h ARG 105 CO -0.00 0.45 0.19 1.96 -1.51 0.00 0.00 179.97 181.06 1u2w h GLN 106 N 0.70 0.92 -0.16 0.20 4.20 -0.77 0.42 115.11 120.62 1u2w h GLN 106 Ca 0.36 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.90 1u2w h GLN 106 Cb 0.33 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1u2w h GLN 106 CO -0.24 0.82 0.03 0.82 -0.67 0.00 0.00 178.83 179.58 1u2w h ILE 107 N 0.84 0.92 -0.20 2.54 2.04 -1.04 -1.67 117.51 120.94 1u2w h ILE 107 Ca 0.19 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 66.07 1u2w h ILE 107 Cb 0.28 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 1u2w h ILE 107 CO -0.01 0.02 -0.09 -0.03 0.00 0.00 0.00 178.15 178.04 1u2w h MET 108 N 0.09 -0.07 -0.80 2.37 4.05 -0.80 -1.45 114.93 118.32 1u2w h MET 108 Ca 0.07 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1u2w h MET 108 Cb 0.07 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 1u2w h MET 108 CO -0.10 -0.05 0.42 0.52 0.23 0.00 0.00 176.91 177.93 1u2w h MET 109 N -0.07 1.12 -0.30 0.39 2.86 -0.75 -0.38 114.93 117.80 1u2w h MET 109 Ca 0.11 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1u2w h MET 109 Cb 0.23 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1u2w h MET 109 CO -0.25 0.85 -0.32 0.82 1.06 0.00 0.00 176.91 179.07 1u2w h ILE 110 N 1.11 1.30 -0.99 -1.22 2.04 -1.18 -0.83 117.51 117.74 1u2w h ILE 110 Ca 0.28 -1.50 0.07 0.00 1.00 0.00 0.00 64.86 64.71 1u2w h ILE 110 Cb 0.06 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 1u2w h ILE 110 CO -0.04 0.48 0.64 0.00 0.00 0.00 0.00 178.15 179.23 1u2w h ALA 111 N 0.71 1.38 -0.21 1.87 0.00 -1.02 0.89 119.26 122.88 1u2w h ALA 111 Ca 0.04 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1u2w h ALA 111 Cb 0.90 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1u2w h ALA 111 CO 0.08 0.41 -0.57 -0.07 0.00 0.00 0.00 179.25 179.10 1u2w h LEU 112 N 1.14 0.73 -1.01 0.00 3.38 -0.88 -2.77 115.31 115.90 1u2w h LEU 112 Ca 0.43 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1u2w h LEU 112 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1u2w h LEU 112 CO -0.18 1.14 0.09 0.00 0.09 0.00 0.00 178.44 179.58 1u2w h ALA 113 N 0.87 1.19 0.00 1.53 0.00 -0.46 -3.51 119.26 118.87 1u2w h ALA 113 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1u2w h ALA 113 Cb 1.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1u2w h ALA 113 CO 0.11 0.54 0.00 1.58 0.00 0.00 0.00 179.25 181.49