#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3w s LYS 2 N 0.00 4.47 -0.04 2.12 1.02 -1.26 -3.16 119.74 122.90 3n3w s LYS 2 Ca 0.00 2.04 0.00 0.00 0.02 0.00 0.00 55.97 58.03 3n3w s LYS 2 Cb 0.00 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.18 3n3w s LYS 2 CO 0.00 -0.04 0.00 0.09 -0.92 0.00 0.00 175.35 174.48 3n3w n ASN 3 N 1.20 -5.28 0.08 2.83 5.03 -1.26 -4.86 115.26 113.00 3n3w n ASN 3 Ca 0.00 0.01 0.09 0.00 0.87 0.00 0.00 54.58 55.55 3n3w n ASN 3 Cb 0.43 -2.81 0.55 0.00 -1.02 0.00 0.00 39.78 36.94 3n3w n ASN 3 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 3n3w h ILE 4 N 0.00 0.98 -0.47 2.41 6.09 -2.00 -0.64 117.51 123.88 3n3w h ILE 4 Ca -0.01 -0.08 0.12 0.00 -1.37 0.00 0.00 64.86 63.51 3n3w h ILE 4 Cb 0.77 0.71 -0.02 0.00 0.47 0.00 0.00 36.82 38.74 3n3w h ILE 4 CO 0.01 0.04 0.33 1.05 -3.07 0.00 0.00 178.15 176.52 3n3w h GLU 5 N 0.25 0.12 -0.00 2.19 9.09 -1.89 0.11 114.58 124.44 3n3w h GLU 5 Ca 0.13 -0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.42 3n3w h GLU 5 Cb 0.22 -0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.27 3n3w h GLU 5 CO -0.03 0.08 -0.53 0.87 0.05 0.00 0.00 179.01 179.45 3n3w h LYS 6 N 0.12 0.01 -0.21 1.06 1.57 -1.51 -1.29 116.57 116.33 3n3w h LYS 6 Ca 0.22 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.91 3n3w h LYS 6 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 3n3w h LYS 6 CO -0.03 0.54 -0.21 1.25 -0.57 0.00 0.00 179.45 180.44 3n3w h LEU 7 N 0.01 0.55 -0.85 2.94 5.85 -1.06 -2.13 115.31 120.62 3n3w h LEU 7 Ca -0.00 -0.47 0.02 0.00 0.84 0.00 0.00 57.88 58.27 3n3w h LEU 7 Cb 0.95 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 3n3w h LEU 7 CO 0.07 0.91 0.55 -0.33 -0.34 0.00 0.00 178.44 179.30 3n3w h GLU 8 N 0.19 1.06 -0.43 1.25 5.08 -1.28 -1.44 114.58 119.01 3n3w h GLU 8 Ca 0.03 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3n3w h GLU 8 Cb 0.75 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3n3w h GLU 8 CO 0.05 0.70 0.19 1.96 -1.00 0.00 0.00 179.01 180.92 3n3w h GLN 9 N 1.09 0.62 -0.80 2.33 1.08 -1.16 0.13 115.11 118.40 3n3w h GLN 9 Ca 0.33 -0.10 0.06 0.00 -1.45 0.00 0.00 58.65 57.49 3n3w h GLN 9 Cb -0.04 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.23 3n3w h GLN 9 CO -0.10 0.55 0.52 0.77 -0.95 0.00 0.00 178.83 179.63 3n3w h SER 10 N 0.55 0.76 1.24 1.46 0.02 -0.78 -2.64 113.55 114.16 3n3w h SER 10 Ca 0.14 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 3n3w h SER 10 Cb 0.15 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3n3w h SER 10 CO -0.02 0.49 -0.79 -0.07 -1.14 0.00 0.00 176.83 175.30 3n3w h LEU 11 N 0.87 0.00 1.20 5.07 3.38 -0.98 -3.48 115.31 121.37 3n3w h LEU 11 Ca 0.34 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.13 3n3w h LEU 11 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3n3w h LEU 11 CO -0.12 0.50 -0.23 0.35 0.09 0.00 0.00 178.44 179.03 3n3w n THR 12 N -3.10 -0.39 -3.84 0.22 -2.24 0.40 -4.93 114.28 100.40 3n3w n THR 12 Ca -0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 3n3w n THR 12 Cb 0.76 -1.53 -0.16 0.00 -2.10 0.00 0.00 70.33 67.29 3n3w n THR 12 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3n3w s TYR 13 N -2.44 0.15 -0.20 4.78 5.04 -0.91 -5.03 117.35 118.75 3n3w s TYR 13 Ca 0.00 0.07 -0.02 0.00 -2.44 0.00 0.00 57.07 54.68 3n3w s TYR 13 Cb 0.00 -0.31 -0.00 0.00 0.35 0.00 0.00 41.96 42.00 3n3w s TYR 13 CO 0.00 -0.11 -0.09 -2.00 -1.34 0.00 0.00 175.55 172.01 3n3w s GLU 14 N 1.04 3.29 0.27 4.97 2.12 -1.26 -4.43 118.70 124.69 3n3w s GLU 14 Ca -0.09 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.26 3n3w s GLU 14 Cb -0.13 -2.86 -0.09 0.00 0.26 0.00 0.00 34.13 31.31 3n3w s GLU 14 CO -0.02 -0.15 1.12 -0.06 -0.54 0.00 0.00 175.26 175.61 3n3w s PHE 15 N 1.29 3.54 0.10 5.30 0.40 -1.26 -4.95 117.98 122.39 3n3w s PHE 15 Ca 0.03 1.66 -0.11 0.00 -0.60 0.00 0.00 56.93 57.91 3n3w s PHE 15 Cb -0.14 -3.32 -0.16 0.00 0.51 0.00 0.00 43.02 39.92 3n3w s PHE 15 CO -0.04 -0.67 1.28 0.87 0.70 0.00 0.00 175.22 177.36 3n3w h LYS 16 N 3.95 0.70 -4.45 0.44 6.56 -1.98 -3.39 116.57 118.40 3n3w h LYS 16 Ca -0.47 -0.64 -0.71 0.00 -1.06 0.00 0.00 60.65 57.77 3n3w h LYS 16 Cb 1.21 0.16 -0.30 0.00 -0.57 0.00 0.00 32.23 32.73 3n3w h LYS 16 CO 0.68 1.24 -0.49 0.34 -2.06 0.00 0.00 179.45 179.16 3n3w s ASP 17 N -7.16 5.51 0.35 0.86 2.15 -1.26 -4.95 116.67 112.17 3n3w s ASP 17 Ca -0.09 -1.69 0.04 0.00 0.43 0.00 0.00 52.55 51.23 3n3w s ASP 17 Cb 0.08 -1.94 0.67 0.00 -0.30 0.00 0.00 42.92 41.44 3n3w s ASP 17 CO 0.90 -0.55 1.98 0.11 -0.17 0.00 0.00 175.17 177.44 3n3w h LYS 18 N 8.30 0.80 0.00 4.34 6.56 -2.01 -1.88 116.57 132.70 3n3w h LYS 18 Ca -0.20 -0.05 -0.01 0.00 -1.06 0.00 0.00 60.65 59.34 3n3w h LYS 18 Cb 1.07 -0.18 -0.00 0.00 -0.57 0.00 0.00 32.23 32.55 3n3w h LYS 18 CO 0.75 0.53 -0.03 -0.91 -2.06 0.00 0.00 179.45 177.74 3n3w h ASN 19 N 0.83 0.00 -0.30 0.86 2.35 -1.97 -1.05 115.58 116.29 3n3w h ASN 19 Ca 0.28 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.89 3n3w h ASN 19 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 3n3w h ASN 19 CO -0.08 0.03 -0.37 0.25 -1.65 0.00 0.00 177.43 175.61 3n3w h LEU 20 N 0.00 0.85 -0.41 1.61 5.85 -1.76 -0.83 115.31 120.63 3n3w h LEU 20 Ca -0.00 -0.49 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 3n3w h LEU 20 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3n3w h LEU 20 CO 0.00 1.17 0.02 0.25 -0.34 0.00 0.00 178.44 179.54 3n3w h LEU 21 N 0.55 0.69 -1.00 2.25 5.85 -1.32 -2.00 115.31 120.32 3n3w h LEU 21 Ca 0.04 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.49 3n3w h LEU 21 Cb 0.95 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.74 3n3w h LEU 21 CO 0.09 0.81 0.66 0.40 -0.34 0.00 0.00 178.44 180.06 3n3w h ILE 22 N 0.54 1.20 -0.36 4.05 2.04 -1.19 -1.76 117.51 122.04 3n3w h ILE 22 Ca 0.12 -0.45 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3n3w h ILE 22 Cb 0.45 -0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 3n3w h ILE 22 CO 0.02 0.24 0.19 -0.74 0.00 0.00 0.00 178.15 177.85 3n3w h HIS 23 N 1.30 0.35 -0.06 1.37 2.76 -0.83 -1.62 115.15 118.42 3n3w h HIS 23 Ca 0.39 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.55 3n3w h HIS 23 Cb -0.06 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3n3w h HIS 23 CO -0.00 0.19 -0.06 0.00 -1.30 0.00 0.00 177.93 176.76 3n3w h ALA 24 N 1.18 1.79 -0.25 5.26 0.00 -0.78 -1.95 119.26 124.51 3n3w h ALA 24 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3n3w h ALA 24 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3n3w h ALA 24 CO -0.10 0.16 0.00 1.28 0.00 0.00 0.00 179.25 180.60 3n3w n LEU 25 N -4.41 2.06 -4.42 0.00 4.77 -0.65 -4.64 117.00 109.71 3n3w n LEU 25 Ca -0.02 -0.90 -0.44 0.00 -0.03 0.00 0.00 56.01 54.62 3n3w n LEU 25 Cb 0.17 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.04 3n3w n LEU 25 CO 0.36 0.45 0.29 -0.89 -1.33 0.00 0.00 177.39 176.26 3n3w s THR 26 N -1.68 4.94 0.58 -5.08 2.01 -0.73 -0.17 115.64 115.51 3n3w s THR 26 Ca 0.32 -0.71 -0.19 0.00 0.31 0.00 0.00 61.69 61.43 3n3w s THR 26 Cb 0.18 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3n3w s THR 26 CO 0.26 -0.82 1.19 -2.28 -0.69 0.00 0.00 174.62 172.27 3n3w s HIS 27 N 2.43 2.46 0.60 4.92 2.46 -0.24 -0.56 115.29 127.35 3n3w s HIS 27 Ca 0.12 1.52 0.30 0.00 0.47 0.00 0.00 55.06 57.47 3n3w s HIS 27 Cb -0.21 -3.43 1.69 0.00 -0.13 0.00 0.00 32.58 30.50 3n3w s HIS 27 CO 0.10 -2.06 2.10 1.57 -2.47 0.00 0.00 174.74 173.98 3n3w h LYS 28 N 0.93 0.00 0.00 2.88 5.09 -1.89 -2.18 116.57 121.40 3n3w h LYS 28 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.24 3n3w h LYS 28 Cb 1.29 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.62 3n3w h LYS 28 CO 0.55 0.00 0.00 0.66 -2.09 0.00 0.00 179.45 178.57 3n3w h SER 29 N 0.00 0.00 0.30 7.07 4.64 -1.92 -3.39 113.55 120.26 3n3w h SER 29 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3n3w h SER 29 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3n3w h SER 29 CO -0.00 0.00 -0.14 0.15 -0.87 0.00 0.00 176.83 175.96 3n3w h PHE 30 N 0.00 -0.38 -3.27 4.77 3.57 -1.66 -3.39 116.94 116.59 3n3w h PHE 30 Ca 0.00 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.31 3n3w h PHE 30 Cb 0.64 0.12 -0.26 0.00 2.79 0.00 0.00 35.95 39.24 3n3w h PHE 30 CO 0.00 -0.03 -0.49 0.21 -2.23 0.00 0.00 178.31 175.77 3n3w s LYS 31 N -4.04 0.22 0.15 1.11 2.20 -1.26 -4.81 119.74 113.32 3n3w s LYS 31 Ca -0.13 0.27 -0.31 0.00 -0.36 0.00 0.00 55.97 55.44 3n3w s LYS 31 Cb 0.01 0.10 -0.09 0.00 -1.51 0.00 0.00 37.83 36.35 3n3w s LYS 31 CO 0.47 -0.03 1.46 0.21 -0.36 0.00 0.00 175.35 177.10 3n3w s LYS 32 N 0.13 4.28 -1.67 4.03 2.47 -1.26 -2.95 119.74 124.76 3n3w s LYS 32 Ca -0.00 2.21 0.00 0.00 -1.56 0.00 0.00 55.97 56.62 3n3w s LYS 32 Cb -0.02 -3.20 0.00 0.00 -1.46 0.00 0.00 37.83 33.16 3n3w s LYS 32 CO 0.00 -0.50 0.00 0.43 0.16 0.00 0.00 175.35 175.44 3n3w n SER 33 N 3.77 -5.15 -3.36 1.43 7.64 -1.26 -4.97 113.62 111.72 3n3w n SER 33 Ca 0.12 0.18 -0.11 0.00 1.01 0.00 0.00 58.87 60.07 3n3w n SER 33 Cb 0.41 -4.22 -0.08 0.00 -1.01 0.00 0.00 64.21 59.30 3n3w n SER 33 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3n3w s TYR 34 N -2.78 -0.77 0.33 1.43 5.04 -1.15 -5.16 117.35 114.28 3n3w s TYR 34 Ca 0.00 0.42 -0.15 0.00 -2.44 0.00 0.00 57.07 54.90 3n3w s TYR 34 Cb 0.00 -0.16 0.03 0.00 0.35 0.00 0.00 41.96 42.18 3n3w s TYR 34 CO 0.00 -0.84 0.68 0.54 -1.34 0.00 0.00 175.55 174.59 3n3w s ASN 35 N 2.49 0.07 0.00 4.32 2.20 -1.26 -4.39 114.94 118.37 3n3w s ASN 35 Ca 0.11 -1.03 0.14 0.00 -0.94 0.00 0.00 52.86 51.13 3n3w s ASN 35 Cb -0.14 0.75 0.56 0.00 -2.00 0.00 0.00 41.25 40.42 3n3w s ASN 35 CO -0.24 -1.46 1.40 -0.46 -2.94 0.00 0.00 177.10 173.40 3n3w n ASN 36 N -1.01 1.09 -0.26 3.54 0.23 0.28 -4.45 115.26 114.68 3n3w n ASN 36 Ca -0.05 -1.79 -0.02 0.00 -0.53 0.00 0.00 54.58 52.20 3n3w n ASN 36 Cb 0.60 -0.10 0.10 0.00 -2.08 0.00 0.00 39.78 38.30 3n3w n ASN 36 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3n3w h GLU 37 N 1.32 0.80 -0.14 -3.83 4.39 -1.91 0.75 114.58 115.95 3n3w h GLU 37 Ca 0.00 -0.05 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 3n3w h GLU 37 Cb 0.29 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3n3w h GLU 37 CO 0.00 0.53 -0.69 0.00 -1.16 0.00 0.00 179.01 177.69 3n3w h ARG 38 N 0.82 0.60 -0.19 2.33 2.47 -2.00 -2.14 114.38 116.26 3n3w h ARG 38 Ca 0.31 -0.46 -0.08 0.00 -1.26 0.00 0.00 59.98 58.49 3n3w h ARG 38 Cb 0.11 0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 3n3w h ARG 38 CO -0.15 1.08 -0.24 -0.07 0.56 0.00 0.00 179.97 181.15 3n3w h LEU 39 N 0.43 0.35 -0.55 3.04 3.38 -1.76 -2.00 115.31 118.20 3n3w h LEU 39 Ca -0.02 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3n3w h LEU 39 Cb 1.28 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3n3w h LEU 39 CO 0.13 0.60 0.03 -0.08 0.09 0.00 0.00 178.44 179.21 3n3w h GLU 40 N 0.32 0.95 -0.38 1.13 4.22 -0.75 0.62 114.58 120.70 3n3w h GLU 40 Ca 0.05 -0.29 -0.00 0.00 0.08 0.00 0.00 59.36 59.20 3n3w h GLU 40 Cb 0.60 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3n3w h GLU 40 CO 0.04 0.95 0.22 0.35 -2.18 0.00 0.00 179.01 178.39 3n3w h PHE 41 N 0.84 0.50 -0.20 0.92 3.57 -0.87 0.07 116.94 121.76 3n3w h PHE 41 Ca 0.16 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.61 3n3w h PHE 41 Cb 0.50 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 3n3w h PHE 41 CO 0.04 0.36 -0.07 1.25 -2.23 0.00 0.00 178.31 177.66 3n3w h LEU 42 N 0.49 0.41 -0.67 0.59 5.85 -1.30 -3.09 115.31 117.59 3n3w h LEU 42 Ca 0.13 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.53 3n3w h LEU 42 Cb 0.01 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3n3w h LEU 42 CO -0.02 0.70 0.37 1.23 -0.34 0.00 0.00 178.44 180.38 3n3w h GLY 43 N 0.12 0.99 0.43 3.75 0.00 -0.74 -1.26 103.07 106.36 3n3w h GLY 43 Ca 0.05 -0.26 0.10 0.00 0.00 0.00 0.00 47.33 47.22 3n3w h GLY 43 CO 0.02 0.16 0.34 -1.80 0.00 0.00 0.00 176.54 175.26 3n3w h ASP 44 N 0.69 0.43 -0.03 0.19 3.58 -0.94 -0.79 116.42 119.54 3n3w h ASP 44 Ca 0.30 0.07 -0.15 0.00 0.42 0.00 0.00 57.03 57.66 3n3w h ASP 44 Cb 0.19 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 3n3w h ASP 44 CO -0.18 0.24 -0.50 0.00 -2.88 0.00 0.00 179.24 175.92 3n3w h ALA 45 N 1.44 0.72 0.14 -0.78 0.00 -1.31 -1.16 119.26 118.32 3n3w h ALA 45 Ca 0.35 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3n3w h ALA 45 Cb 0.39 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3n3w h ALA 45 CO -0.28 0.68 -0.09 0.28 0.00 0.00 0.00 179.25 179.83 3n3w h VAL 46 N 0.47 0.80 -0.42 0.00 2.07 -0.64 -1.98 116.25 116.54 3n3w h VAL 46 Ca 0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 3n3w h VAL 46 Cb 1.04 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3n3w h VAL 46 CO 0.10 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 177.67 3n3w h LEU 47 N -0.23 0.61 -0.82 2.57 3.38 -1.08 0.13 115.31 119.87 3n3w h LEU 47 Ca -0.01 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3n3w h LEU 47 Cb 0.20 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3n3w h LEU 47 CO 0.01 0.64 0.52 0.44 0.09 0.00 0.00 178.44 180.14 3n3w h ASP 48 N 0.63 0.86 -0.18 -0.43 3.32 -0.95 0.15 116.42 119.81 3n3w h ASP 48 Ca 0.14 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 3n3w h ASP 48 Cb 0.31 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3n3w h ASP 48 CO 0.00 0.58 -0.51 0.25 -1.72 0.00 0.00 179.24 177.84 3n3w h LEU 49 N 1.00 0.76 -0.33 1.55 5.85 -0.41 -0.79 115.31 122.94 3n3w h LEU 49 Ca 0.34 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.52 3n3w h LEU 49 Cb 0.04 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3n3w h LEU 49 CO -0.13 1.21 0.06 0.58 -0.34 0.00 0.00 178.44 179.82 3n3w h VAL 50 N 0.35 0.82 -0.08 1.05 2.07 -0.53 0.15 116.25 120.08 3n3w h VAL 50 Ca -0.01 -0.06 -0.18 0.00 0.82 0.00 0.00 66.70 67.27 3n3w h VAL 50 Cb 1.13 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3n3w h VAL 50 CO 0.11 0.03 -0.64 0.58 0.02 0.00 0.00 177.57 177.67 3n3w h VAL 51 N 0.17 1.35 -0.63 2.57 2.07 -1.01 -1.92 116.25 118.85 3n3w h VAL 51 Ca 0.16 -1.95 0.02 0.00 0.82 0.00 0.00 66.70 65.74 3n3w h VAL 51 Cb 0.18 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 3n3w h VAL 51 CO -0.22 0.59 0.40 1.23 0.02 0.00 0.00 177.57 179.60 3n3w h GLY 52 N 0.18 0.89 0.89 2.17 0.00 -0.96 -0.88 103.07 105.36 3n3w h GLY 52 Ca -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3n3w h GLY 52 CO 0.13 0.28 0.07 -2.09 0.00 0.00 0.00 176.54 174.93 3n3w h GLU 53 N 0.81 0.50 -0.99 4.80 4.81 -0.97 -0.22 114.58 123.31 3n3w h GLU 53 Ca 0.24 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3n3w h GLU 53 Cb -0.04 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.22 3n3w h GLU 53 CO -0.08 0.58 0.64 -0.92 -0.73 0.00 0.00 179.01 178.50 3n3w h TYR 54 N 0.33 1.20 -0.12 0.92 3.20 -1.04 -2.17 116.97 119.29 3n3w h TYR 54 Ca 0.10 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.81 3n3w h TYR 54 Cb 0.31 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3n3w h TYR 54 CO 0.02 0.66 -0.70 -0.07 -1.64 0.00 0.00 178.16 176.43 3n3w h LEU 55 N 1.21 0.60 -0.24 2.82 3.38 -0.93 -1.70 115.31 120.45 3n3w h LEU 55 Ca 0.41 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3n3w h LEU 55 Cb 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3n3w h LEU 55 CO -0.14 1.12 0.07 0.15 0.09 0.00 0.00 178.44 179.73 3n3w h PHE 56 N 0.36 0.12 -0.13 1.13 3.57 -0.55 -1.30 116.94 120.14 3n3w h PHE 56 Ca -0.03 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 3n3w h PHE 56 Cb 1.28 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.00 3n3w h PHE 56 CO 0.05 0.05 -0.35 0.45 -2.23 0.00 0.00 178.31 176.29 3n3w h HIS 57 N 0.17 0.61 -0.11 0.41 3.86 -1.40 -2.27 115.15 116.43 3n3w h HIS 57 Ca 0.11 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 59.02 3n3w h HIS 57 Cb 0.09 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 3n3w h HIS 57 CO -0.14 0.96 -0.21 -0.22 0.86 0.00 0.00 177.93 179.19 3n3w h LYS 58 N 0.08 0.18 -0.36 2.45 3.64 -1.29 -3.06 116.57 118.20 3n3w h LYS 58 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3n3w h LYS 58 Cb 0.96 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3n3w h LYS 58 CO 0.07 0.39 0.00 1.19 -2.27 0.00 0.00 179.45 178.83 3n3w n PHE 59 N -4.22 1.15 -0.07 1.91 3.72 -0.49 -4.75 117.46 114.70 3n3w n PHE 59 Ca -0.01 -0.78 -0.07 0.00 -0.05 0.00 0.00 57.45 56.53 3n3w n PHE 59 Cb 0.31 -0.31 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 3n3w n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3n3w h ALA 60 N 2.43 0.15 -0.38 4.37 0.00 -1.30 -2.55 119.26 121.99 3n3w h ALA 60 Ca 0.00 0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 3n3w h ALA 60 Cb 1.46 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 19.38 3n3w h ALA 60 CO 0.25 -0.49 0.31 1.63 0.00 0.00 0.00 179.25 180.96 3n3w n LYS 61 N -5.25 1.60 -3.43 0.00 5.02 -1.26 -4.60 118.16 110.23 3n3w n LYS 61 Ca -0.01 -1.21 -0.21 0.00 -2.02 0.00 0.00 58.31 54.86 3n3w n LYS 61 Cb 0.17 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 3n3w n LYS 61 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3n3w s ASP 62 N 0.47 2.14 0.53 4.39 3.68 -0.96 -5.00 116.67 121.92 3n3w s ASP 62 Ca 0.24 -1.27 0.20 0.00 2.13 0.00 0.00 52.55 53.85 3n3w s ASP 62 Cb 0.19 0.21 1.36 0.00 -1.45 0.00 0.00 42.92 43.23 3n3w s ASP 62 CO 0.01 -0.36 2.11 0.00 0.13 0.00 0.00 175.17 177.06 3n3w h ALA 63 N 7.83 2.09 -2.35 3.66 0.00 -1.82 -3.41 119.26 125.26 3n3w h ALA 63 Ca -0.08 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.34 3n3w h ALA 63 Cb 1.04 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3n3w h ALA 63 CO 0.31 -0.18 0.18 -1.21 0.00 0.00 0.00 179.25 178.35 3n3w s GLU 64 N -5.00 4.20 0.00 0.00 0.41 -1.26 -4.99 118.70 112.06 3n3w s GLU 64 Ca -0.05 0.91 0.00 0.00 -0.41 0.00 0.00 54.97 55.42 3n3w s GLU 64 Cb 0.17 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.96 3n3w s GLU 64 CO 0.67 0.21 0.00 0.41 -0.49 0.00 0.00 175.26 176.06 3n3w n GLY 65 N 0.04 4.18 3.25 -1.39 0.00 -1.26 -5.03 105.19 104.97 3n3w n GLY 65 Ca 0.02 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 3n3w n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3n3w s ASP 66 N 0.00 5.75 0.40 1.61 2.15 -1.26 -4.91 116.67 120.41 3n3w s ASP 66 Ca 0.00 -1.75 0.17 0.00 0.43 0.00 0.00 52.55 51.40 3n3w s ASP 66 Cb 0.00 -2.03 0.84 0.00 -0.30 0.00 0.00 42.92 41.43 3n3w s ASP 66 CO 0.00 -0.66 1.84 -0.07 -0.17 0.00 0.00 175.17 176.11 3n3w h LEU 67 N 8.49 0.00 -0.57 -1.34 3.38 -1.97 -1.95 115.31 121.36 3n3w h LEU 67 Ca -0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3n3w h LEU 67 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3n3w h LEU 67 CO 0.85 0.33 0.09 -1.28 0.09 0.00 0.00 178.44 178.52 3n3w h SER 68 N 0.00 0.90 -0.21 -0.43 0.87 -1.99 0.80 113.55 113.49 3n3w h SER 68 Ca -0.00 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.20 3n3w h SER 68 Cb 0.67 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3n3w h SER 68 CO 0.04 0.93 -0.24 0.50 -0.53 0.00 0.00 176.83 177.53 3n3w h LYS 69 N 0.83 0.53 -0.85 2.24 3.64 -1.92 -1.48 116.57 119.57 3n3w h LYS 69 Ca 0.17 -0.29 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 3n3w h LYS 69 Cb 0.41 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.20 3n3w h LYS 69 CO 0.01 0.88 0.56 -0.07 -2.27 0.00 0.00 179.45 178.56 3n3w h LEU 70 N 0.21 0.90 -0.19 5.20 3.38 -1.19 -2.17 115.31 121.46 3n3w h LEU 70 Ca 0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3n3w h LEU 70 Cb 0.80 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3n3w h LEU 70 CO 0.06 0.61 -0.12 -0.09 0.09 0.00 0.00 178.44 178.99 3n3w h ARG 71 N 1.04 0.41 -0.90 1.13 2.43 -0.62 -3.00 114.38 114.87 3n3w h ARG 71 Ca 0.34 -0.19 0.09 0.00 -0.81 0.00 0.00 59.98 59.41 3n3w h ARG 71 Cb 0.05 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.53 3n3w h ARG 71 CO -0.10 0.73 0.58 0.00 -1.51 0.00 0.00 179.97 179.67 3n3w h ALA 72 N 0.67 1.62 0.00 2.80 0.00 -1.01 0.59 119.26 123.92 3n3w h ALA 72 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3n3w h ALA 72 Cb 0.62 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3n3w h ALA 72 CO 0.03 0.20 -0.32 0.00 0.00 0.00 0.00 179.25 179.17 3n3w h ALA 73 N 1.55 1.31 0.02 0.00 0.00 -1.32 -2.87 119.26 117.94 3n3w h ALA 73 Ca 0.42 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.74 3n3w h ALA 73 Cb 0.39 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3n3w h ALA 73 CO -0.18 0.40 -1.72 -0.07 0.00 0.00 0.00 179.25 177.68 3n3w h LEU 74 N 0.00 0.05 -3.13 0.00 3.38 -0.83 -3.40 115.31 111.39 3n3w h LEU 74 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3n3w h LEU 74 Cb 0.63 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3n3w h LEU 74 CO 0.04 1.10 0.00 1.33 0.09 0.00 0.00 178.44 181.01 3n3w n VAL 75 N -3.11 1.80 -1.59 1.22 0.24 -0.16 -4.60 118.33 112.13 3n3w n VAL 75 Ca -0.18 -1.42 -0.29 0.00 -2.04 0.00 0.00 64.34 60.41 3n3w n VAL 75 Cb 1.05 0.07 0.11 0.00 -1.47 0.00 0.00 33.84 33.60 3n3w n VAL 75 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3n3w s ASN 76 N -1.34 4.16 0.30 -1.34 2.20 -1.09 -4.79 114.94 113.05 3n3w s ASN 76 Ca 0.39 1.12 0.03 0.00 -0.94 0.00 0.00 52.86 53.46 3n3w s ASN 76 Cb 0.27 -1.77 0.63 0.00 -2.00 0.00 0.00 41.25 38.38 3n3w s ASN 76 CO 0.15 -2.16 1.85 -0.08 -2.94 0.00 0.00 177.10 173.92 3n3w h GLU 77 N -1.22 0.89 -0.49 3.55 4.81 -1.95 -1.87 114.58 118.30 3n3w h GLU 77 Ca -0.48 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.61 3n3w h GLU 77 Cb 1.30 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 3n3w h GLU 77 CO 0.61 0.59 -0.03 -0.22 -0.73 0.00 0.00 179.01 179.23 3n3w h LYS 78 N 0.92 0.88 -0.17 1.92 3.64 -1.92 -0.51 116.57 121.33 3n3w h LYS 78 Ca 0.48 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3n3w h LYS 78 Cb 0.54 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3n3w h LYS 78 CO -0.25 0.94 -0.14 0.77 -2.27 0.00 0.00 179.45 178.50 3n3w h SER 79 N 0.74 0.42 -0.18 4.20 0.02 -1.77 -2.42 113.55 114.55 3n3w h SER 79 Ca 0.13 -0.46 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3n3w h SER 79 Cb 0.56 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3n3w h SER 79 CO 0.03 0.79 0.02 -0.26 -1.14 0.00 0.00 176.83 176.27 3n3w h PHE 80 N 0.05 0.42 -0.10 3.45 -1.00 -1.30 -0.57 116.94 117.89 3n3w h PHE 80 Ca 0.03 -0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 3n3w h PHE 80 Cb 0.66 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 3n3w h PHE 80 CO 0.08 0.40 -0.52 0.00 -1.61 0.00 0.00 178.31 176.66 3n3w h ALA 81 N 1.63 0.92 -0.14 2.45 0.00 -1.03 0.30 119.26 123.40 3n3w h ALA 81 Ca 0.09 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 3n3w h ALA 81 Cb 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3n3w h ALA 81 CO 0.00 0.67 -0.08 -0.22 0.00 0.00 0.00 179.25 179.63 3n3w h LYS 82 N 0.22 0.30 -0.30 0.00 3.64 -0.83 0.04 116.57 119.64 3n3w h LYS 82 Ca 0.01 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.27 3n3w h LYS 82 Cb 1.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 3n3w h LYS 82 CO 0.08 0.64 0.13 0.82 -2.27 0.00 0.00 179.45 178.86 3n3w h ILE 83 N -0.04 0.97 -0.73 2.00 2.04 -0.99 -1.95 117.51 118.82 3n3w h ILE 83 Ca 0.03 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3n3w h ILE 83 Cb 0.56 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3n3w h ILE 83 CO 0.02 0.05 0.46 0.00 0.00 0.00 0.00 178.15 178.69 3n3w h ALA 84 N 1.16 0.94 0.00 1.87 0.00 -0.81 -0.62 119.26 121.81 3n3w h ALA 84 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3n3w h ALA 84 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3n3w h ALA 84 CO -0.10 0.27 -0.19 -0.91 0.00 0.00 0.00 179.25 178.31 3n3w h ASN 85 N 0.91 0.00 0.54 0.00 2.35 -0.79 -0.93 115.58 117.67 3n3w h ASN 85 Ca 0.29 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.96 3n3w h ASN 85 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3n3w h ASN 85 CO -0.10 0.19 -0.37 0.77 -1.65 0.00 0.00 177.43 176.27 3n3w h SER 86 N 0.00 0.00 -0.21 5.81 4.64 -0.32 -2.25 113.55 121.22 3n3w h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n3w h SER 86 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3n3w h SER 86 CO 0.03 0.37 0.00 0.18 -0.87 0.00 0.00 176.83 176.54 3n3w n LEU 87 N -3.83 1.93 -3.46 5.97 4.77 -0.43 -4.93 117.00 117.02 3n3w n LEU 87 Ca -0.01 -0.82 -0.25 0.00 -0.03 0.00 0.00 56.01 54.89 3n3w n LEU 87 Cb 0.44 -0.13 0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3n3w n LEU 87 CO 0.37 0.41 0.02 0.59 -1.33 0.00 0.00 177.39 177.46 3n3w n ASN 88 N 0.50 -4.69 -0.15 -1.43 5.03 -0.85 -4.88 115.26 108.80 3n3w n ASN 88 Ca 0.16 -0.49 0.16 0.00 0.87 0.00 0.00 54.58 55.28 3n3w n ASN 88 Cb 0.37 -3.81 0.52 0.00 -1.02 0.00 0.00 39.78 35.85 3n3w n ASN 88 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3n3w h LEU 89 N -1.45 0.35 -1.64 3.41 3.38 -1.59 -0.83 115.31 116.94 3n3w h LEU 89 Ca -0.50 0.02 0.21 0.00 0.09 0.00 0.00 57.88 57.70 3n3w h LEU 89 Cb 1.34 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.98 3n3w h LEU 89 CO 0.59 0.18 0.60 1.23 0.09 0.00 0.00 178.44 181.13 3n3w h GLY 90 N 0.37 0.65 2.00 0.83 0.00 -1.83 0.46 103.07 105.56 3n3w h GLY 90 Ca 0.36 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3n3w h GLY 90 CO -0.11 -0.01 -0.03 -0.55 0.00 0.00 0.00 176.54 175.85 3n3w h ASP 91 N 0.30 0.00 0.00 0.19 3.32 -1.48 -3.32 116.42 115.43 3n3w h ASP 91 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3n3w h ASP 91 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 3n3w h ASP 91 CO -0.14 0.03 -1.25 0.49 -1.72 0.00 0.00 179.24 176.65 3n3w n PHE 92 N -3.12 0.00 -2.22 4.55 3.72 0.08 -4.98 117.46 115.49 3n3w n PHE 92 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 3n3w n PHE 92 Cb 0.40 -0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3n3w n PHE 92 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3n3w s ILE 93 N -2.80 3.64 -0.21 4.37 1.01 -0.76 -4.92 121.20 121.53 3n3w s ILE 93 Ca -0.00 1.08 -0.24 0.00 0.00 0.00 0.00 60.65 61.49 3n3w s ILE 93 Cb 0.11 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 3n3w s ILE 93 CO 0.65 0.02 0.77 -0.76 0.00 0.00 0.00 174.94 175.63 3n3w s LEU 94 N 2.01 4.12 0.15 2.97 1.43 0.76 -4.96 118.68 125.17 3n3w s LEU 94 Ca 0.64 1.02 -0.10 0.00 -1.03 0.00 0.00 54.13 54.66 3n3w s LEU 94 Cb -0.33 -3.12 -0.00 0.00 0.03 0.00 0.00 46.19 42.77 3n3w s LEU 94 CO 0.28 -0.41 0.29 0.00 0.23 0.00 0.00 176.35 176.73 3n3w s MET 95 N 2.38 1.10 0.92 1.70 0.23 -1.26 -1.08 119.30 123.29 3n3w s MET 95 Ca 0.34 -1.08 -0.11 0.00 -1.03 0.00 0.00 55.69 53.81 3n3w s MET 95 Cb -0.16 0.39 0.15 0.00 -1.53 0.00 0.00 34.83 33.67 3n3w s MET 95 CO 0.10 -0.40 1.11 -1.54 -2.03 0.00 0.00 175.02 172.26 3n3w s SER 96 N -2.93 3.02 0.17 -1.18 1.04 -1.26 -4.78 113.70 107.77 3n3w s SER 96 Ca 0.13 1.96 -0.15 0.00 0.48 0.00 0.00 55.95 58.37 3n3w s SER 96 Cb 0.03 -2.48 0.08 0.00 0.10 0.00 0.00 66.02 63.75 3n3w s SER 96 CO -0.03 -3.00 1.79 0.58 0.98 0.00 0.00 173.24 173.56 3n3w h VAL 97 N -1.80 1.00 -0.58 5.02 2.07 -1.98 -1.37 116.25 118.61 3n3w h VAL 97 Ca -0.46 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3n3w h VAL 97 Cb 1.27 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3n3w h VAL 97 CO 0.46 0.09 0.38 0.00 0.02 0.00 0.00 177.57 178.52 3n3w h ALA 98 N 1.22 0.74 -0.64 1.67 0.00 -1.98 0.37 119.26 120.64 3n3w h ALA 98 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3n3w h ALA 98 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3n3w h ALA 98 CO -0.11 0.19 0.17 1.49 0.00 0.00 0.00 179.25 180.98 3n3w h GLU 99 N 0.79 1.00 -0.32 0.00 4.57 -1.84 0.16 114.58 118.94 3n3w h GLU 99 Ca 0.21 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3n3w h GLU 99 Cb -0.08 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 3n3w h GLU 99 CO -0.05 0.88 0.17 0.93 -1.18 0.00 0.00 179.01 179.77 3n3w h GLU 100 N 0.96 0.45 -0.19 1.92 5.08 -0.85 0.54 114.58 122.49 3n3w h GLU 100 Ca 0.21 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 3n3w h GLU 100 Cb 0.32 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3n3w h GLU 100 CO -0.00 0.39 0.14 -0.91 -1.00 0.00 0.00 179.01 177.62 3n3w h ASN 101 N 0.40 0.05 -0.14 1.42 4.21 -0.29 0.46 115.58 121.68 3n3w h ASN 101 Ca 0.11 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.62 3n3w h ASN 101 Cb 0.07 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.26 3n3w h ASN 101 CO -0.02 0.03 0.00 0.59 -1.29 0.00 0.00 177.43 176.75 3n3w n ASN 102 N -4.49 0.96 -0.47 5.81 3.02 0.49 -4.89 115.26 115.70 3n3w n ASN 102 Ca 0.01 -2.03 -0.04 0.00 -0.03 0.00 0.00 54.58 52.50 3n3w n ASN 102 Cb 0.24 -0.16 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 3n3w n ASN 102 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n3w n GLY 103 N 0.65 0.21 0.31 7.41 0.00 0.15 -4.96 105.19 108.96 3n3w n GLY 103 Ca 0.05 -0.72 0.03 0.00 0.00 0.00 0.00 46.02 45.38 3n3w n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3n3w h GLY 104 N 0.00 0.65 2.00 -0.02 0.00 -0.97 -2.48 103.07 102.26 3n3w h GLY 104 Ca -0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3n3w h GLY 104 CO 0.12 0.24 -0.05 0.50 0.00 0.00 0.00 176.54 177.35 3n3w h LYS 105 N 0.63 0.00 -0.02 4.80 1.57 -1.83 -2.67 116.57 119.05 3n3w h LYS 105 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3n3w h LYS 105 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3n3w h LYS 105 CO -0.04 0.05 -0.22 0.39 -0.57 0.00 0.00 179.45 179.06 3n3w n GLU 106 N -3.77 1.60 -2.05 3.15 4.71 -0.95 -4.47 120.64 118.87 3n3w n GLU 106 Ca -0.02 -1.22 -0.42 0.00 -0.01 0.00 0.00 57.16 55.48 3n3w n GLU 106 Cb 0.15 -1.36 -0.03 0.00 -1.01 0.00 0.00 31.44 29.19 3n3w n GLU 106 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3n3w s LYS 107 N -1.92 4.23 0.45 3.49 1.02 -1.01 -4.88 119.74 121.12 3n3w s LYS 107 Ca 0.19 2.18 0.16 0.00 0.02 0.00 0.00 55.97 58.52 3n3w s LYS 107 Cb 0.16 -3.64 1.05 0.00 -0.52 0.00 0.00 37.83 34.88 3n3w s LYS 107 CO 0.37 -0.69 2.00 -1.00 -0.92 0.00 0.00 175.35 175.11 3n3w h PRO 108 N 8.31 0.00 -0.26 -1.68 0.13 -1.94 -1.73 132.00 134.84 3n3w h PRO 108 Ca -0.40 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 3n3w h PRO 108 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3n3w h PRO 108 CO 0.92 0.18 -0.40 0.66 -0.23 0.00 0.00 178.00 179.14 3n3w h SER 109 N 0.00 0.64 -0.29 1.44 4.64 -1.89 0.76 113.55 118.85 3n3w h SER 109 Ca -0.00 -0.28 -0.14 0.00 -0.47 0.00 0.00 61.79 60.90 3n3w h SER 109 Cb 0.34 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3n3w h SER 109 CO 0.02 0.96 -0.35 0.40 -0.87 0.00 0.00 176.83 177.00 3n3w h ILE 110 N 0.50 1.30 -0.01 0.95 2.04 -1.73 -1.12 117.51 119.44 3n3w h ILE 110 Ca 0.04 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.37 3n3w h ILE 110 Cb 0.91 1.61 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 3n3w h ILE 110 CO 0.08 0.49 0.00 -0.07 0.00 0.00 0.00 178.15 178.65 3n3w h LEU 111 N 0.49 0.02 -0.37 1.44 3.38 -1.22 -1.93 115.31 117.13 3n3w h LEU 111 Ca 0.04 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3n3w h LEU 111 Cb 0.93 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 3n3w h LEU 111 CO 0.08 0.27 0.20 -1.28 0.09 0.00 0.00 178.44 177.81 3n3w h SER 112 N -0.24 0.32 -0.51 -0.43 0.87 -0.88 -1.95 113.55 110.73 3n3w h SER 112 Ca 0.00 0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 3n3w h SER 112 Cb 0.26 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3n3w h SER 112 CO 0.00 0.23 0.30 0.44 -0.53 0.00 0.00 176.83 177.28 3n3w h ASP 113 N 0.42 0.49 -0.64 6.23 3.32 -1.11 -2.00 116.42 123.12 3n3w h ASP 113 Ca 0.15 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3n3w h ASP 113 Cb 0.02 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3n3w h ASP 113 CO -0.08 0.34 0.31 0.00 -1.72 0.00 0.00 179.24 178.09 3n3w h ALA 114 N 1.23 0.82 -0.27 3.45 0.00 -1.01 0.54 119.26 124.02 3n3w h ALA 114 Ca 0.21 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3n3w h ALA 114 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3n3w h ALA 114 CO -0.10 0.39 0.14 1.25 0.00 0.00 0.00 179.25 180.93 3n3w h LEU 115 N 0.88 0.21 -0.73 0.00 5.85 -1.16 -0.52 115.31 119.85 3n3w h LEU 115 Ca 0.22 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3n3w h LEU 115 Cb 0.12 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3n3w h LEU 115 CO -0.03 0.16 0.46 -0.33 -0.34 0.00 0.00 178.44 178.36 3n3w h GLU 116 N 0.29 0.89 -0.43 1.25 5.08 -1.06 -1.66 114.58 118.94 3n3w h GLU 116 Ca 0.11 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3n3w h GLU 116 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3n3w h GLU 116 CO -0.07 0.59 0.09 0.00 -1.00 0.00 0.00 179.01 178.61 3n3w h ALA 117 N 1.30 1.34 -0.42 3.43 0.00 -0.22 -0.79 119.26 123.90 3n3w h ALA 117 Ca 0.28 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3n3w h ALA 117 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3n3w h ALA 117 CO -0.09 0.46 0.05 0.82 0.00 0.00 0.00 179.25 180.49 3n3w h ILE 118 N 0.63 1.25 -0.52 0.00 2.04 -0.50 -1.24 117.51 119.17 3n3w h ILE 118 Ca 0.14 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 3n3w h ILE 118 Cb 0.27 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3n3w h ILE 118 CO -0.00 0.32 0.07 0.40 0.00 0.00 0.00 178.15 178.93 3n3w h ILE 119 N 0.56 1.26 -0.88 -0.67 1.08 -0.96 -1.17 117.51 116.73 3n3w h ILE 119 Ca 0.13 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.60 3n3w h ILE 119 Cb 0.41 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 34.99 3n3w h ILE 119 CO 0.01 0.35 0.48 1.23 -0.69 0.00 0.00 178.15 179.54 3n3w h GLY 120 N 0.76 1.32 1.22 5.37 0.00 -1.05 -1.46 103.07 109.23 3n3w h GLY 120 Ca 0.16 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 3n3w h GLY 120 CO 0.01 0.58 0.15 0.00 0.00 0.00 0.00 176.54 177.28 3n3w h ALA 121 N 1.26 1.09 -0.50 3.60 0.00 -0.82 -1.19 119.26 122.70 3n3w h ALA 121 Ca 0.31 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3n3w h ALA 121 Cb 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3n3w h ALA 121 CO -0.05 0.61 -0.03 0.82 0.00 0.00 0.00 179.25 180.60 3n3w h ILE 122 N 0.93 1.27 -0.35 0.00 2.04 -0.91 -1.46 117.51 119.03 3n3w h ILE 122 Ca 0.20 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.96 3n3w h ILE 122 Cb 0.34 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3n3w h ILE 122 CO 0.00 0.39 0.18 -0.74 0.00 0.00 0.00 178.15 177.98 3n3w h HIS 123 N 0.76 0.33 -0.47 1.37 2.76 -1.01 0.49 115.15 119.38 3n3w h HIS 123 Ca 0.14 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 3n3w h HIS 123 Cb 0.56 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 3n3w h HIS 123 CO 0.04 0.18 0.30 -0.07 -1.30 0.00 0.00 177.93 177.08 3n3w h LEU 124 N 0.36 0.50 0.21 0.26 3.38 -1.00 0.14 115.31 119.16 3n3w h LEU 124 Ca 0.15 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.79 3n3w h LEU 124 Cb 0.05 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.71 3n3w h LEU 124 CO -0.10 0.36 -1.49 -0.08 0.09 0.00 0.00 178.44 177.22 3n3w h GLU 125 N 0.60 0.44 0.00 1.13 4.81 -1.02 -3.41 114.58 117.13 3n3w h GLU 125 Ca 0.18 -0.75 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 3n3w h GLU 125 Cb -0.03 0.28 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3n3w h GLU 125 CO -0.06 1.35 -0.89 0.00 -0.73 0.00 0.00 179.01 178.67 3n3w n ALA 126 N -2.70 2.41 0.00 2.92 0.00 0.17 -5.09 120.51 118.22 3n3w n ALA 126 Ca -0.17 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3n3w n ALA 126 Cb 1.08 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.33 3n3w n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3w n GLY 127 N 1.78 2.17 0.19 0.00 0.00 0.04 -4.53 105.19 104.83 3n3w n GLY 127 Ca -0.00 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.01 3n3w n GLY 127 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3n3w h PHE 128 N 0.00 -0.34 -0.75 1.61 3.57 -1.89 -1.63 116.94 117.51 3n3w h PHE 128 Ca 0.00 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.60 3n3w h PHE 128 Cb 0.00 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 3n3w h PHE 128 CO 0.00 -0.20 0.43 0.93 -2.23 0.00 0.00 178.31 177.24 3n3w h GLU 129 N -0.13 0.74 0.09 1.11 3.07 -1.96 0.18 114.58 117.68 3n3w h GLU 129 Ca 0.11 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 3n3w h GLU 129 Cb 0.30 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3n3w h GLU 129 CO -0.28 0.49 -0.05 0.35 -1.40 0.00 0.00 179.01 178.13 3n3w h PHE 130 N 0.76 -0.12 -0.98 4.33 -0.00 -1.74 -2.37 116.94 116.82 3n3w h PHE 130 Ca 0.35 -0.00 0.12 0.00 -0.00 0.00 0.00 57.97 58.43 3n3w h PHE 130 Cb 0.25 0.04 -0.08 0.00 -0.00 0.00 0.00 35.95 36.16 3n3w h PHE 130 CO -0.07 0.15 0.62 0.00 -0.00 0.00 0.00 178.31 179.02 3n3w h ALA 131 N 0.49 1.56 -0.33 2.41 0.00 -0.60 -2.15 119.26 120.64 3n3w h ALA 131 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3n3w h ALA 131 Cb 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3n3w h ALA 131 CO 0.02 0.20 0.18 -0.22 0.00 0.00 0.00 179.25 179.43 3n3w h LYS 132 N 0.96 0.36 -0.80 0.00 3.64 -0.46 -0.19 116.57 120.08 3n3w h LYS 132 Ca 0.48 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.80 3n3w h LYS 132 Cb 0.49 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 3n3w h LYS 132 CO -0.25 0.24 0.33 1.15 -2.27 0.00 0.00 179.45 178.65 3n3w h THR 133 N 0.37 1.26 -0.27 1.00 2.02 -0.88 0.44 112.91 116.86 3n3w h THR 133 Ca 0.13 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3n3w h THR 133 Cb 0.02 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3n3w h THR 133 CO -0.08 0.34 0.05 0.40 0.37 0.00 0.00 175.52 176.60 3n3w h ILE 134 N 1.17 1.23 -0.46 3.11 1.08 -0.99 -2.58 117.51 120.06 3n3w h ILE 134 Ca 0.27 -0.77 -0.07 0.00 -0.39 0.00 0.00 64.86 63.90 3n3w h ILE 134 Cb 0.21 1.21 -0.02 0.00 -3.07 0.00 0.00 36.82 35.15 3n3w h ILE 134 CO -0.02 0.25 0.02 0.00 -0.69 0.00 0.00 178.15 177.70 3n3w h ALA 135 N 0.87 0.62 -0.45 1.87 0.00 -0.86 -2.40 119.26 118.91 3n3w h ALA 135 Ca 0.08 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3n3w h ALA 135 Cb 0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3n3w h ALA 135 CO 0.00 0.40 -0.00 -0.07 0.00 0.00 0.00 179.25 179.58 3n3w h LEU 136 N 0.66 0.70 -0.64 0.00 3.38 -0.92 -0.83 115.31 117.66 3n3w h LEU 136 Ca 0.13 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3n3w h LEU 136 Cb 0.47 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3n3w h LEU 136 CO 0.02 0.77 0.15 -0.09 0.09 0.00 0.00 178.44 179.38 3n3w h ARG 137 N 0.69 1.02 -0.30 1.13 2.43 -1.30 0.67 114.38 118.73 3n3w h ARG 137 Ca 0.14 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 3n3w h ARG 137 Cb 0.43 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3n3w h ARG 137 CO 0.02 0.93 -0.28 -0.07 -1.51 0.00 0.00 179.97 179.06 3n3w h LEU 138 N 0.94 0.61 -0.04 3.80 3.38 -0.96 -1.07 115.31 121.99 3n3w h LEU 138 Ca 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3n3w h LEU 138 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3n3w h LEU 138 CO 0.00 0.86 -0.03 0.40 0.09 0.00 0.00 178.44 179.77 3n3w h ILE 139 N 0.52 1.36 -0.38 1.22 2.04 -1.00 -2.84 117.51 118.42 3n3w h ILE 139 Ca 0.07 -1.12 0.08 0.00 1.00 0.00 0.00 64.86 64.89 3n3w h ILE 139 Cb 0.75 2.04 -0.08 0.00 -0.74 0.00 0.00 36.82 38.78 3n3w h ILE 139 CO 0.06 0.30 -0.19 -0.33 0.00 0.00 0.00 178.15 177.99 3n3w h GLU 140 N -0.35 -0.12 0.00 2.37 5.08 -0.77 -0.18 114.58 120.61 3n3w h GLU 140 Ca 0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3n3w h GLU 140 Cb 0.50 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 3n3w h GLU 140 CO 0.01 -0.08 -0.04 0.87 -1.00 0.00 0.00 179.01 178.77 3n3w h LYS 141 N -0.13 0.00 0.00 2.33 1.57 -1.17 -2.96 116.57 116.21 3n3w h LYS 141 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3n3w h LYS 141 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3n3w h LYS 141 CO -0.46 0.04 -1.72 0.09 -0.57 0.00 0.00 179.45 176.83 3n3w n ASN 142 N -3.31 1.17 -3.23 0.86 3.02 -0.95 -4.74 115.26 108.08 3n3w n ASN 142 Ca -0.02 -0.04 -0.24 0.00 -0.03 0.00 0.00 54.58 54.26 3n3w n ASN 142 Cb 0.19 1.73 -0.07 0.00 -0.61 0.00 0.00 39.78 41.01 3n3w n ASN 142 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3n3w n PHE 143 N -2.05 -0.66 0.17 3.10 3.72 -0.12 -5.06 117.46 116.57 3n3w n PHE 143 Ca -0.03 -3.41 0.01 0.00 -0.05 0.00 0.00 57.45 53.98 3n3w n PHE 143 Cb 0.43 -0.10 0.08 0.00 -0.94 0.00 0.00 39.48 38.95 3n3w n PHE 143 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41