#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 4.10 -0.39 3.17 2.20 -1.26 -2.30 119.74 125.27 3n3w s LYS 2 Ca 0.00 2.60 0.00 0.00 -0.36 0.00 0.00 55.97 58.21 3n3w s LYS 2 Cb 0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 3n3w s LYS 2 CO 0.00 -0.63 0.00 0.09 -0.36 0.00 0.00 175.35 174.45 3n3w n ASN 3 N 1.72 -5.19 -0.03 1.43 3.02 -1.26 -4.87 115.26 110.08 3n3w n ASN 3 Ca 0.06 0.09 0.16 0.00 -0.03 0.00 0.00 54.58 54.86 3n3w n ASN 3 Cb 0.38 -3.01 0.60 0.00 -0.61 0.00 0.00 39.78 37.13 3n3w n ASN 3 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3n3w h ILE 4 N 0.00 0.82 0.00 2.41 2.10 -1.92 0.57 117.51 121.49 3n3w h ILE 4 Ca -0.08 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.80 3n3w h ILE 4 Cb 0.82 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 3n3w h ILE 4 CO 0.11 0.04 0.00 -0.33 -1.08 0.00 0.00 178.15 176.89 3n3w h GLU 5 N 0.19 0.00 -0.10 2.19 5.08 -1.89 -1.93 114.58 118.12 3n3w h GLU 5 Ca 0.26 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.40 3n3w h GLU 5 Cb 0.76 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.02 3n3w h GLU 5 CO -0.04 0.00 -0.80 0.87 -1.00 0.00 0.00 179.01 178.03 3n3w h LYS 6 N 0.00 0.62 -0.28 2.33 1.57 -1.27 -2.48 116.57 117.05 3n3w h LYS 6 Ca 0.00 -0.53 -0.12 0.00 -1.87 0.00 0.00 60.65 58.13 3n3w h LYS 6 Cb 0.35 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3n3w h LYS 6 CO 0.00 1.15 -0.29 1.25 -0.57 0.00 0.00 179.45 180.99 3n3w h LEU 7 N 0.41 0.75 -1.49 2.94 5.85 -1.44 -1.44 115.31 120.89 3n3w h LEU 7 Ca -0.05 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.19 3n3w h LEU 7 Cb 1.42 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3n3w h LEU 7 CO 0.15 1.07 0.27 -0.33 -0.34 0.00 0.00 178.44 179.27 3n3w h GLU 8 N 0.44 0.61 -0.26 1.25 5.08 -1.42 -0.80 114.58 119.48 3n3w h GLU 8 Ca 0.04 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3n3w h GLU 8 Cb 0.86 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 3n3w h GLU 8 CO 0.07 0.43 -0.32 0.37 -1.00 0.00 0.00 179.01 178.56 3n3w h GLN 9 N 0.63 0.68 -0.30 2.33 4.15 -1.26 -0.04 115.11 121.29 3n3w h GLN 9 Ca 0.17 -0.38 -0.04 0.00 0.77 0.00 0.00 58.65 59.16 3n3w h GLN 9 Cb -0.02 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 3n3w h GLN 9 CO -0.03 1.00 0.01 0.77 -1.93 0.00 0.00 178.83 178.65 3n3w h SER 10 N 0.41 0.42 1.35 -0.69 0.02 -0.65 -2.74 113.55 111.67 3n3w h SER 10 Ca 0.03 -0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 3n3w h SER 10 Cb 0.90 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3n3w h SER 10 CO 0.08 0.48 -0.67 -0.07 -1.14 0.00 0.00 176.83 175.50 3n3w h LEU 11 N 0.44 0.00 -0.67 5.07 3.38 -1.11 -3.48 115.31 118.94 3n3w h LEU 11 Ca 0.10 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.74 3n3w h LEU 11 Cb 0.27 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.13 3n3w h LEU 11 CO 0.01 0.35 -0.55 0.35 0.09 0.00 0.00 178.44 178.69 3n3w n THR 12 N -3.05 -2.37 -3.69 0.22 -2.24 -0.10 -4.93 114.28 98.12 3n3w n THR 12 Ca -0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 3n3w n THR 12 Cb 0.69 -3.50 -0.10 0.00 -2.10 0.00 0.00 70.33 65.33 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 -3.24 -0.67 -0.18 4.78 5.04 -0.76 -5.04 117.35 117.28 3n3w s TYR 13 Ca 0.46 1.41 -0.04 0.00 -2.44 0.00 0.00 57.07 56.45 3n3w s TYR 13 Cb -0.20 0.32 -0.02 0.00 0.35 0.00 0.00 41.96 42.40 3n3w s TYR 13 CO 0.56 -0.37 -0.02 -1.21 -1.34 0.00 0.00 175.55 173.17 3n3w s GLU 14 N 1.46 3.61 0.33 4.97 2.02 -1.26 -4.54 118.70 125.28 3n3w s GLU 14 Ca -0.09 -0.54 -0.27 0.00 0.02 0.00 0.00 54.97 54.08 3n3w s GLU 14 Cb -0.08 -3.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.06 3n3w s GLU 14 CO -0.14 0.08 1.10 -0.06 0.02 0.00 0.00 175.26 176.26 3n3w s PHE 15 N 0.80 3.42 -0.03 1.61 0.40 -1.26 -4.94 117.98 117.97 3n3w s PHE 15 Ca -0.00 1.66 -0.23 0.00 -0.60 0.00 0.00 56.93 57.75 3n3w s PHE 15 Cb -0.14 -3.27 -0.23 0.00 0.51 0.00 0.00 43.02 39.89 3n3w s PHE 15 CO 0.02 -0.71 1.07 0.87 0.70 0.00 0.00 175.22 177.17 3n3w h LYS 16 N 3.31 0.23 -4.37 0.44 1.57 -1.98 -3.40 116.57 112.37 3n3w h LYS 16 Ca -0.47 -0.23 -0.72 0.00 -1.87 0.00 0.00 60.65 57.36 3n3w h LYS 16 Cb 1.22 0.06 -0.29 0.00 0.08 0.00 0.00 32.23 33.30 3n3w h LYS 16 CO 0.65 0.94 -0.42 0.34 -0.57 0.00 0.00 179.45 180.38 3n3w s ASP 17 N -6.37 5.68 0.45 0.86 2.15 -1.26 -4.95 116.67 113.22 3n3w s ASP 17 Ca -0.15 -1.72 0.14 0.00 0.43 0.00 0.00 52.55 51.25 3n3w s ASP 17 Cb 0.02 -2.00 1.06 0.00 -0.30 0.00 0.00 42.92 41.69 3n3w s ASP 17 CO 0.76 -0.62 2.01 0.11 -0.17 0.00 0.00 175.17 177.26 3n3w h LYS 18 N 8.44 0.35 0.00 4.34 1.79 -2.00 -1.75 116.57 127.73 3n3w h LYS 18 Ca -0.22 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.22 3n3w h LYS 18 Cb 1.08 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.65 3n3w h LYS 18 CO 0.81 0.23 -0.03 -0.91 -1.08 0.00 0.00 179.45 178.47 3n3w h ASN 19 N 0.36 0.00 -0.03 0.86 2.35 -1.98 -2.24 115.58 114.90 3n3w h ASN 19 Ca 0.22 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.72 3n3w h ASN 19 Cb 0.42 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.81 3n3w h ASN 19 CO -0.05 0.03 -0.97 0.25 -1.65 0.00 0.00 177.43 175.04 3n3w h LEU 20 N 0.00 0.90 -0.62 1.61 5.85 -1.74 -1.16 115.31 120.15 3n3w h LEU 20 Ca -0.00 -0.72 -0.05 0.00 0.84 0.00 0.00 57.88 57.96 3n3w h LEU 20 Cb 0.29 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3n3w h LEU 20 CO 0.00 1.50 0.21 0.25 -0.34 0.00 0.00 178.44 180.06 3n3w h LEU 21 N 0.39 0.89 -0.64 2.25 5.85 -1.52 -1.49 115.31 121.04 3n3w h LEU 21 Ca -0.11 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3n3w h LEU 21 Cb 1.62 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 3n3w h LEU 21 CO 0.19 0.85 0.41 0.40 -0.34 0.00 0.00 178.44 179.95 3n3w h ILE 22 N 0.88 1.12 -0.45 4.05 2.04 -1.37 -1.47 117.51 122.31 3n3w h ILE 22 Ca 0.20 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3n3w h ILE 22 Cb 0.27 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3n3w h ILE 22 CO -0.01 0.15 0.27 -0.74 0.00 0.00 0.00 178.15 177.82 3n3w h HIS 23 N 0.82 0.50 -0.09 1.37 2.76 -0.92 -2.14 115.15 117.46 3n3w h HIS 23 Ca 0.25 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.42 3n3w h HIS 23 Cb -0.03 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3n3w h HIS 23 CO -0.04 0.30 -0.03 0.00 -1.30 0.00 0.00 177.93 176.85 3n3w h ALA 24 N 1.19 1.78 -0.02 5.26 0.00 -0.57 -2.22 119.26 124.69 3n3w h ALA 24 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3n3w h ALA 24 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3n3w h ALA 24 CO -0.07 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.62 3n3w n LEU 25 N -4.42 0.86 -4.48 0.00 4.77 -0.62 -4.66 117.00 108.44 3n3w n LEU 25 Ca -0.02 -0.29 -0.43 0.00 -0.03 0.00 0.00 56.01 55.24 3n3w n LEU 25 Cb 0.16 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 3n3w n LEU 25 CO 0.36 0.15 0.22 -0.89 -1.33 0.00 0.00 177.39 175.89 3n3w s THR 26 N -1.99 4.98 0.52 -5.08 2.01 -0.84 -0.84 115.64 114.41 3n3w s THR 26 Ca 0.41 -0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 3n3w s THR 26 Cb 0.21 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.52 3n3w s THR 26 CO 0.34 -0.54 1.11 -2.28 -0.69 0.00 0.00 174.62 172.56 3n3w s HIS 27 N 2.40 2.77 0.44 4.92 2.46 0.14 -0.83 115.29 127.59 3n3w s HIS 27 Ca 0.15 1.55 0.35 0.00 0.47 0.00 0.00 55.06 57.59 3n3w s HIS 27 Cb -0.17 -3.23 1.93 0.00 -0.13 0.00 0.00 32.58 30.98 3n3w s HIS 27 CO 0.15 -1.37 2.08 1.57 -2.47 0.00 0.00 174.74 174.70 3n3w h LYS 28 N 1.34 0.00 0.00 2.88 2.10 -1.89 -1.86 116.57 119.14 3n3w h LYS 28 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3n3w h LYS 28 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3n3w h LYS 28 CO 0.58 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.69 3n3w h SER 29 N 0.00 0.00 0.01 7.07 4.64 -1.91 -3.40 113.55 119.95 3n3w h SER 29 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n3w h SER 29 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3n3w h SER 29 CO 0.00 0.00 -0.00 0.15 -0.87 0.00 0.00 176.83 176.11 3n3w h PHE 30 N 0.00 -0.01 -3.06 4.77 3.57 -1.59 -3.38 116.94 117.24 3n3w h PHE 30 Ca 0.00 -0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 3n3w h PHE 30 Cb 0.75 0.00 -0.28 0.00 2.79 0.00 0.00 35.95 39.21 3n3w h PHE 30 CO 0.00 0.83 -0.45 0.21 -2.23 0.00 0.00 178.31 176.67 3n3w s LYS 31 N -2.70 0.25 0.27 1.11 2.20 -1.26 -4.80 119.74 114.81 3n3w s LYS 31 Ca -0.18 0.45 -0.30 0.00 -0.36 0.00 0.00 55.97 55.59 3n3w s LYS 31 Cb -0.02 0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 36.21 3n3w s LYS 31 CO 0.66 -0.10 1.48 0.21 -0.36 0.00 0.00 175.35 177.24 3n3w s LYS 32 N 0.72 4.23 -0.83 4.03 2.20 -1.26 -2.71 119.74 126.12 3n3w s LYS 32 Ca -0.05 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 57.94 3n3w s LYS 32 Cb -0.06 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 3n3w s LYS 32 CO -0.04 -0.47 0.00 0.43 -0.36 0.00 0.00 175.35 174.91 3n3w n SER 33 N 2.18 -5.02 -3.47 1.43 7.64 -1.26 -4.95 113.62 110.16 3n3w n SER 33 Ca 0.07 0.19 -0.19 0.00 1.01 0.00 0.00 58.87 59.95 3n3w n SER 33 Cb 0.39 -3.21 -0.12 0.00 -1.01 0.00 0.00 64.21 60.26 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 -1.93 -0.28 0.39 1.43 5.04 -1.10 -5.14 117.35 115.76 3n3w s TYR 34 Ca 0.00 0.05 -0.14 0.00 -2.44 0.00 0.00 57.07 54.54 3n3w s TYR 34 Cb 0.00 -0.42 0.05 0.00 0.35 0.00 0.00 41.96 41.94 3n3w s TYR 34 CO 0.00 -0.70 0.76 0.54 -1.34 0.00 0.00 175.55 174.81 3n3w s ASN 35 N 2.32 0.15 -0.13 4.32 2.20 -1.26 -4.31 114.94 118.22 3n3w s ASN 35 Ca 0.08 -1.23 0.14 0.00 -0.94 0.00 0.00 52.86 50.90 3n3w s ASN 35 Cb -0.15 0.84 0.63 0.00 -2.00 0.00 0.00 41.25 40.57 3n3w s ASN 35 CO -0.19 -1.67 1.50 -0.46 -2.94 0.00 0.00 177.10 173.33 3n3w n ASN 36 N -1.49 4.36 -0.15 3.54 0.23 -0.01 -4.55 115.26 117.18 3n3w n ASN 36 Ca -0.08 -2.52 -0.08 0.00 -0.53 0.00 0.00 54.58 51.37 3n3w n ASN 36 Cb 0.60 -0.58 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 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 3.35 0.66 -0.48 -3.83 5.08 -1.90 -0.98 114.58 116.48 3n3w h GLU 37 Ca 0.00 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 3n3w h GLU 37 Cb 1.43 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 3n3w h GLU 37 CO 0.28 0.58 -0.19 0.00 -1.00 0.00 0.00 179.01 178.68 3n3w h ARG 38 N 0.58 0.96 -0.25 2.33 2.47 -2.00 -1.64 114.38 116.83 3n3w h ARG 38 Ca 0.15 -0.39 -0.08 0.00 -1.26 0.00 0.00 59.98 58.40 3n3w h ARG 38 Cb 0.16 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 3n3w h ARG 38 CO -0.02 1.06 -0.18 -0.07 0.56 0.00 0.00 179.97 181.32 3n3w h LEU 39 N 0.84 0.43 -0.39 3.04 3.38 -1.83 -1.17 115.31 119.60 3n3w h LEU 39 Ca 0.12 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3n3w h LEU 39 Cb 0.75 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3n3w h LEU 39 CO 0.06 0.63 0.02 -0.08 0.09 0.00 0.00 178.44 179.15 3n3w h GLU 40 N 0.40 0.68 -0.17 1.13 4.22 -0.92 0.17 114.58 120.09 3n3w h GLU 40 Ca 0.07 -0.21 0.03 0.00 0.08 0.00 0.00 59.36 59.33 3n3w h GLU 40 Cb 0.55 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 3n3w h GLU 40 CO 0.04 0.77 -0.03 0.35 -2.18 0.00 0.00 179.01 177.95 3n3w h PHE 41 N 0.51 -0.07 -0.20 0.92 3.57 -0.87 0.21 116.94 121.01 3n3w h PHE 41 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3n3w h PHE 41 Cb 0.45 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3n3w h PHE 41 CO 0.03 -0.06 0.09 1.25 -2.23 0.00 0.00 178.31 177.39 3n3w h LEU 42 N 0.01 0.26 -1.07 0.59 5.85 -0.99 -2.97 115.31 116.99 3n3w h LEU 42 Ca 0.08 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3n3w h LEU 42 Cb 0.12 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3n3w h LEU 42 CO -0.16 0.33 0.29 1.23 -0.34 0.00 0.00 178.44 179.79 3n3w h GLY 43 N 0.18 1.01 0.84 3.75 0.00 -0.45 -1.66 103.07 106.74 3n3w h GLY 43 Ca 0.07 -0.50 0.03 0.00 0.00 0.00 0.00 47.33 46.93 3n3w h GLY 43 CO -0.01 0.48 0.31 -1.80 0.00 0.00 0.00 176.54 175.52 3n3w h ASP 44 N 0.94 0.49 -0.47 0.19 3.58 -0.84 0.27 116.42 120.57 3n3w h ASP 44 Ca 0.23 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.58 3n3w h ASP 44 Cb 0.14 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 3n3w h ASP 44 CO -0.03 0.34 -0.10 0.00 -2.88 0.00 0.00 179.24 176.58 3n3w h ALA 45 N 1.25 0.87 0.06 -0.78 0.00 -1.31 -0.63 119.26 118.73 3n3w h ALA 45 Ca 0.22 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3n3w h ALA 45 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3n3w h ALA 45 CO -0.11 0.65 -0.03 0.28 0.00 0.00 0.00 179.25 180.04 3n3w h VAL 46 N 0.84 0.96 -0.92 0.00 2.07 -0.68 -2.42 116.25 116.10 3n3w h VAL 46 Ca 0.14 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3n3w h VAL 46 Cb 0.63 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 3n3w h VAL 46 CO 0.04 0.02 0.61 -0.07 0.02 0.00 0.00 177.57 178.19 3n3w h LEU 47 N -0.12 1.02 -1.22 2.57 3.38 -0.33 -0.85 115.31 119.77 3n3w h LEU 47 Ca -0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3n3w h LEU 47 Cb 0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3n3w h LEU 47 CO 0.01 0.72 0.53 0.44 0.09 0.00 0.00 178.44 180.23 3n3w h ASP 48 N 1.20 0.89 0.02 -0.43 3.32 -0.75 -0.69 116.42 119.97 3n3w h ASP 48 Ca 0.35 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 57.17 3n3w h ASP 48 Cb -0.06 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.30 3n3w h ASP 48 CO -0.09 0.63 -0.86 0.25 -1.72 0.00 0.00 179.24 177.45 3n3w h LEU 49 N 1.04 0.73 -0.37 1.55 5.85 -0.95 -0.57 115.31 122.59 3n3w h LEU 49 Ca 0.31 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3n3w h LEU 49 Cb -0.05 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3n3w h LEU 49 CO -0.08 1.40 0.24 0.58 -0.34 0.00 0.00 178.44 180.24 3n3w h VAL 50 N 0.14 1.11 -0.14 1.05 2.07 -0.86 0.48 116.25 120.09 3n3w h VAL 50 Ca -0.11 -0.22 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 3n3w h VAL 50 Cb 1.55 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3n3w h VAL 50 CO 0.17 0.10 -0.44 0.58 0.02 0.00 0.00 177.57 178.00 3n3w h VAL 51 N 0.50 1.35 -0.48 2.57 2.07 -1.23 -2.16 116.25 118.87 3n3w h VAL 51 Ca 0.14 -1.73 0.09 0.00 0.82 0.00 0.00 66.70 66.02 3n3w h VAL 51 Cb -0.04 2.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.73 3n3w h VAL 51 CO -0.03 0.52 0.02 1.23 0.02 0.00 0.00 177.57 179.34 3n3w h GLY 52 N 0.17 0.52 0.93 2.17 0.00 -0.97 -0.10 103.07 105.78 3n3w h GLY 52 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 3n3w h GLY 52 CO 0.09 -0.12 0.04 -2.09 0.00 0.00 0.00 176.54 174.47 3n3w h GLU 53 N 0.14 0.64 -0.32 4.80 4.81 -0.91 -0.65 114.58 123.10 3n3w h GLU 53 Ca 0.24 -0.18 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3n3w h GLU 53 Cb 0.36 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 3n3w h GLU 53 CO -0.38 0.72 0.00 -0.92 -0.73 0.00 0.00 179.01 177.70 3n3w h TYR 54 N 0.48 -0.01 -0.63 0.92 3.20 -0.98 -2.27 116.97 117.68 3n3w h TYR 54 Ca 0.11 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3n3w h TYR 54 Cb 0.40 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3n3w h TYR 54 CO 0.03 -0.05 0.20 -0.07 -1.64 0.00 0.00 178.16 176.62 3n3w h LEU 55 N 0.10 0.92 -0.52 2.82 3.38 -0.82 -1.11 115.31 120.07 3n3w h LEU 55 Ca 0.15 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.01 3n3w h LEU 55 Cb 0.21 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 3n3w h LEU 55 CO -0.26 0.88 0.09 0.15 0.09 0.00 0.00 178.44 179.39 3n3w h PHE 56 N 0.91 0.13 -0.00 1.13 3.57 -0.79 -1.21 116.94 120.67 3n3w h PHE 56 Ca 0.20 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.54 3n3w h PHE 56 Cb 0.29 0.02 0.02 0.00 2.79 0.00 0.00 35.95 39.07 3n3w h PHE 56 CO 0.02 -0.03 -0.75 0.45 -2.23 0.00 0.00 178.31 175.77 3n3w h HIS 57 N 0.22 0.75 -0.69 0.41 3.86 -1.26 -2.83 115.15 115.61 3n3w h HIS 57 Ca 0.27 -0.41 0.02 0.00 -1.16 0.00 0.00 60.37 59.09 3n3w h HIS 57 Cb 0.38 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 3n3w h HIS 57 CO -0.25 1.24 0.44 -0.22 0.86 0.00 0.00 177.93 180.00 3n3w h LYS 58 N 0.06 0.85 -0.62 2.45 3.64 -0.95 -2.69 116.57 119.30 3n3w h LYS 58 Ca -0.09 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.05 3n3w h LYS 58 Cb 1.44 -0.19 -0.11 0.00 -0.41 0.00 0.00 32.23 32.96 3n3w h LYS 58 CO 0.15 0.56 0.20 1.19 -2.27 0.00 0.00 179.45 179.27 3n3w n PHE 59 N -4.65 2.07 0.09 1.91 3.72 -0.48 -4.67 117.46 115.44 3n3w n PHE 59 Ca 0.07 -1.22 0.17 0.00 -0.05 0.00 0.00 57.45 56.42 3n3w n PHE 59 Cb 0.06 -0.61 0.70 0.00 -0.94 0.00 0.00 39.48 38.69 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 2.28 2.29 -0.00 4.37 0.00 -1.21 -1.62 119.26 125.37 3n3w h ALA 60 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3n3w h ALA 60 Cb 2.13 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.95 3n3w h ALA 60 CO 0.63 -0.46 -0.49 1.63 0.00 0.00 0.00 179.25 180.56 3n3w n LYS 61 N -4.32 0.48 -3.18 0.00 4.76 -1.26 -4.80 118.16 109.83 3n3w n LYS 61 Ca 0.06 -0.32 -0.43 0.00 -2.87 0.00 0.00 58.31 54.75 3n3w n LYS 61 Cb 0.46 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.08 3n3w n LYS 61 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3n3w s ASP 62 N -2.75 6.26 0.47 4.39 1.11 -0.61 -4.90 116.67 120.64 3n3w s ASP 62 Ca 0.16 -0.62 0.23 0.00 0.18 0.00 0.00 52.55 52.51 3n3w s ASP 62 Cb 0.18 -2.28 1.15 0.00 1.07 0.00 0.00 42.92 43.04 3n3w s ASP 62 CO 0.64 -0.76 1.95 0.00 1.18 0.00 0.00 175.17 178.18 3n3w h ALA 63 N 8.88 1.23 -2.96 5.23 0.00 -1.87 -3.42 119.26 126.35 3n3w h ALA 63 Ca -0.26 -0.18 -0.59 0.00 0.00 0.00 0.00 54.91 53.87 3n3w h ALA 63 Cb 1.10 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 3n3w h ALA 63 CO 0.89 0.25 -0.26 -1.21 0.00 0.00 0.00 179.25 178.92 3n3w s GLU 64 N -4.05 4.19 0.00 0.00 8.01 -1.26 -5.03 118.70 120.56 3n3w s GLU 64 Ca -0.02 0.23 0.00 0.00 0.01 0.00 0.00 54.97 55.19 3n3w s GLU 64 Cb 0.13 -3.39 0.00 0.00 -4.31 0.00 0.00 34.13 26.56 3n3w s GLU 64 CO 0.63 0.31 0.00 0.41 0.01 0.00 0.00 175.26 176.62 3n3w n GLY 65 N 3.04 3.80 3.37 -1.39 0.00 -1.26 -5.05 105.19 107.70 3n3w n GLY 65 Ca -0.11 -0.39 -0.46 0.00 0.00 0.00 0.00 46.02 45.06 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 6.55 0.42 1.61 2.15 -1.26 -4.90 116.67 121.25 3n3w s ASP 66 Ca 0.00 -2.16 0.11 0.00 0.43 0.00 0.00 52.55 50.93 3n3w s ASP 66 Cb 0.00 -2.28 0.91 0.00 -0.30 0.00 0.00 42.92 41.25 3n3w s ASP 66 CO 0.00 -0.85 1.99 -0.07 -0.17 0.00 0.00 175.17 176.06 3n3w h LEU 67 N 9.09 0.19 -0.80 -1.34 3.38 -1.99 -2.45 115.31 121.39 3n3w h LEU 67 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3n3w h LEU 67 Cb 1.05 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 3n3w h LEU 67 CO 0.95 0.28 0.39 -1.28 0.09 0.00 0.00 178.44 178.87 3n3w h SER 68 N 0.20 1.05 -0.21 -0.43 0.87 -2.00 -0.85 113.55 112.18 3n3w h SER 68 Ca 0.05 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 3n3w h SER 68 Cb 0.24 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 3n3w h SER 68 CO 0.01 0.89 -0.40 0.50 -0.53 0.00 0.00 176.83 177.30 3n3w h LYS 69 N 1.13 0.65 -0.54 2.24 3.64 -1.88 -2.70 116.57 119.10 3n3w h LYS 69 Ca 0.28 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 3n3w h LYS 69 Cb 0.12 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 3n3w h LYS 69 CO -0.04 1.03 0.25 -0.07 -2.27 0.00 0.00 179.45 178.35 3n3w h LEU 70 N 0.34 0.69 -0.26 5.20 3.38 -1.26 -2.41 115.31 120.99 3n3w h LEU 70 Ca 0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3n3w h LEU 70 Cb 1.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3n3w h LEU 70 CO 0.09 0.60 0.07 -0.09 0.09 0.00 0.00 178.44 179.20 3n3w h ARG 71 N 0.76 0.41 -0.97 1.13 2.43 -1.08 -2.57 114.38 114.50 3n3w h ARG 71 Ca 0.19 -0.10 0.11 0.00 -0.81 0.00 0.00 59.98 59.37 3n3w h ARG 71 Cb 0.10 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.51 3n3w h ARG 71 CO -0.02 0.50 0.61 0.00 -1.51 0.00 0.00 179.97 179.55 3n3w h ALA 72 N 0.89 1.44 -0.34 2.80 0.00 -1.20 0.27 119.26 123.11 3n3w h ALA 72 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3n3w h ALA 72 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3n3w h ALA 72 CO -0.00 0.25 0.14 0.00 0.00 0.00 0.00 179.25 179.63 3n3w h ALA 73 N 1.51 1.60 0.00 0.00 0.00 -1.14 -2.03 119.26 119.20 3n3w h ALA 73 Ca 0.47 -0.10 -0.25 0.00 0.00 0.00 0.00 54.91 55.03 3n3w h ALA 73 Cb 0.41 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3n3w h ALA 73 CO -0.25 0.32 -1.32 -0.07 0.00 0.00 0.00 179.25 177.93 3n3w h LEU 74 N 0.48 0.01 -3.02 0.00 3.38 -0.24 -3.39 115.31 112.55 3n3w h LEU 74 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3n3w h LEU 74 Cb 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3n3w h LEU 74 CO -0.01 1.02 0.00 1.33 0.09 0.00 0.00 178.44 180.86 3n3w n VAL 75 N -3.22 1.47 -1.60 1.22 0.24 0.45 -4.63 118.33 112.26 3n3w n VAL 75 Ca -0.08 -1.26 -0.29 0.00 -2.04 0.00 0.00 64.34 60.68 3n3w n VAL 75 Cb 0.99 0.24 0.12 0.00 -1.47 0.00 0.00 33.84 33.73 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 -1.22 3.76 0.24 -1.34 2.20 -0.79 -4.77 114.94 113.03 3n3w s ASN 76 Ca 0.35 0.96 -0.04 0.00 -0.94 0.00 0.00 52.86 53.19 3n3w s ASN 76 Cb 0.22 -1.54 0.43 0.00 -2.00 0.00 0.00 41.25 38.36 3n3w s ASN 76 CO 0.17 -2.39 1.78 -0.08 -2.94 0.00 0.00 177.10 173.63 3n3w h GLU 77 N -1.39 0.63 -0.58 3.55 4.81 -1.95 -1.54 114.58 118.11 3n3w h GLU 77 Ca -0.49 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 58.60 3n3w h GLU 77 Cb 1.33 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 3n3w h GLU 77 CO 0.62 0.41 -0.02 -0.22 -0.73 0.00 0.00 179.01 179.07 3n3w h LYS 78 N 0.64 1.03 -0.29 1.92 3.64 -1.92 0.10 116.57 121.70 3n3w h LYS 78 Ca 0.41 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3n3w h LYS 78 Cb 0.49 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3n3w h LYS 78 CO -0.31 1.02 -0.11 0.77 -2.27 0.00 0.00 179.45 178.55 3n3w h SER 79 N 0.93 0.59 0.33 4.20 0.02 -1.71 -2.52 113.55 115.39 3n3w h SER 79 Ca 0.16 -0.39 -0.10 0.00 -0.84 0.00 0.00 61.79 60.62 3n3w h SER 79 Cb 0.57 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3n3w h SER 79 CO 0.03 0.85 -0.43 -0.26 -1.14 0.00 0.00 176.83 175.88 3n3w h PHE 80 N 0.33 0.15 -0.44 3.45 0.04 -1.10 -1.83 116.94 117.54 3n3w h PHE 80 Ca 0.07 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.72 3n3w h PHE 80 Cb 0.61 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.71 3n3w h PHE 80 CO 0.06 0.54 -0.05 0.00 -0.60 0.00 0.00 178.31 178.26 3n3w h ALA 81 N 1.45 1.10 -0.16 2.45 0.00 -0.77 0.10 119.26 123.45 3n3w h ALA 81 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3n3w h ALA 81 Cb 0.81 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3n3w h ALA 81 CO 0.06 0.57 -0.06 -0.22 0.00 0.00 0.00 179.25 179.60 3n3w h LYS 82 N 0.69 0.32 -0.88 0.00 3.64 -0.99 -1.03 116.57 118.32 3n3w h LYS 82 Ca 0.13 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3n3w h LYS 82 Cb 0.49 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.26 3n3w h LYS 82 CO 0.03 0.62 0.53 0.82 -2.27 0.00 0.00 179.45 179.18 3n3w h ILE 83 N -0.00 1.24 -0.55 2.00 2.04 -1.14 -1.58 117.51 119.52 3n3w h ILE 83 Ca 0.04 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.38 3n3w h ILE 83 Cb 0.52 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3n3w h ILE 83 CO 0.02 0.25 0.36 0.00 0.00 0.00 0.00 178.15 178.78 3n3w h ALA 84 N 1.29 0.70 -0.06 1.87 0.00 -0.64 -2.00 119.26 120.42 3n3w h ALA 84 Ca 0.32 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 3n3w h ALA 84 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3n3w h ALA 84 CO -0.06 0.12 -0.30 -0.91 0.00 0.00 0.00 179.25 178.10 3n3w h ASN 85 N 0.72 0.11 0.55 0.00 -0.26 -0.61 -1.09 115.58 115.00 3n3w h ASN 85 Ca 0.21 -0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 3n3w h ASN 85 Cb -0.06 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.17 3n3w h ASN 85 CO -0.06 0.41 0.00 -1.54 -1.06 0.00 0.00 177.43 175.18 3n3w n SER 86 N -4.15 0.03 -0.73 5.81 3.41 -0.65 -1.60 113.62 115.74 3n3w n SER 86 Ca -0.02 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.20 3n3w n SER 86 Cb 0.37 -0.51 0.06 0.00 -0.26 0.00 0.00 64.21 63.87 3n3w n SER 86 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3n3w n LEU 87 N -1.53 2.50 -2.59 1.04 4.77 -0.46 -4.97 117.00 115.75 3n3w n LEU 87 Ca 0.04 -0.95 -0.20 0.00 -0.03 0.00 0.00 56.01 54.87 3n3w n LEU 87 Cb 0.19 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3n3w n LEU 87 CO 0.15 0.43 -0.18 0.59 -1.33 0.00 0.00 177.39 177.05 3n3w n ASN 88 N 0.87 -5.47 0.06 -1.43 3.02 -0.63 -4.86 115.26 106.82 3n3w n ASN 88 Ca 0.11 -0.05 0.19 0.00 -0.03 0.00 0.00 54.58 54.80 3n3w n ASN 88 Cb 0.48 -4.53 0.72 0.00 -0.61 0.00 0.00 39.78 35.84 3n3w n ASN 88 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n3w h LEU 89 N -0.34 0.00 -1.93 3.41 3.38 -1.68 -0.61 115.31 117.53 3n3w h LEU 89 Ca -0.46 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.60 3n3w h LEU 89 Cb 1.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 3n3w h LEU 89 CO 0.53 0.00 0.27 1.23 0.09 0.00 0.00 178.44 180.56 3n3w h GLY 90 N 0.00 0.12 2.00 0.83 0.00 -1.82 -0.08 103.07 104.12 3n3w h GLY 90 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3n3w h GLY 90 CO -0.00 0.02 0.00 -0.55 0.00 0.00 0.00 176.54 176.01 3n3w h ASP 91 N 0.09 0.00 0.00 0.19 3.32 -1.44 -3.33 116.42 115.24 3n3w h ASP 91 Ca 0.18 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3n3w h ASP 91 Cb 0.60 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3n3w h ASP 91 CO -0.02 0.00 -1.64 0.49 -1.72 0.00 0.00 179.24 176.35 3n3w n PHE 92 N -2.31 0.00 -2.04 4.55 3.72 -0.17 -5.01 117.46 116.19 3n3w n PHE 92 Ca 0.05 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.04 3n3w n PHE 92 Cb 0.41 -0.35 -0.02 0.00 -0.94 0.00 0.00 39.48 38.58 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 -2.84 2.67 -0.25 4.37 1.01 -0.44 -4.95 121.20 120.78 3n3w s ILE 93 Ca -0.05 0.59 -0.14 0.00 0.00 0.00 0.00 60.65 61.05 3n3w s ILE 93 Cb 0.08 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 3n3w s ILE 93 CO 0.55 0.11 0.32 -0.76 0.00 0.00 0.00 174.94 175.16 3n3w s LEU 94 N -0.83 4.08 0.08 2.97 1.43 -0.02 -4.98 118.68 121.42 3n3w s LEU 94 Ca 0.56 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.84 3n3w s LEU 94 Cb -0.41 -2.36 0.01 0.00 0.03 0.00 0.00 46.19 43.46 3n3w s LEU 94 CO 0.47 -0.10 0.26 0.00 0.23 0.00 0.00 176.35 177.21 3n3w s MET 95 N 1.65 0.87 0.96 1.70 0.23 -1.26 -0.68 119.30 122.78 3n3w s MET 95 Ca 0.14 -0.80 -0.11 0.00 -1.03 0.00 0.00 55.69 53.90 3n3w s MET 95 Cb -0.15 0.37 0.17 0.00 -1.53 0.00 0.00 34.83 33.69 3n3w s MET 95 CO 0.09 -0.29 1.12 -1.54 -2.03 0.00 0.00 175.02 172.36 3n3w s SER 96 N -2.64 2.53 0.14 -1.18 1.04 -1.26 -4.76 113.70 107.58 3n3w s SER 96 Ca 0.02 2.04 -0.17 0.00 0.48 0.00 0.00 55.95 58.31 3n3w s SER 96 Cb 0.03 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.64 3n3w s SER 96 CO -0.09 -3.32 1.79 0.58 0.98 0.00 0.00 173.24 173.17 3n3w h VAL 97 N -2.02 1.03 -0.77 5.02 2.07 -1.98 -1.55 116.25 118.05 3n3w h VAL 97 Ca -0.47 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3n3w h VAL 97 Cb 1.28 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3n3w h VAL 97 CO 0.44 0.07 0.51 0.00 0.02 0.00 0.00 177.57 178.60 3n3w h ALA 98 N 1.15 1.48 -0.22 1.67 0.00 -1.98 0.83 119.26 122.18 3n3w h ALA 98 Ca 0.13 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 3n3w h ALA 98 Cb 0.01 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.51 3n3w h ALA 98 CO -0.06 0.46 -0.66 1.49 0.00 0.00 0.00 179.25 180.48 3n3w h GLU 99 N 1.00 0.84 -0.41 0.00 4.57 -1.82 -0.55 114.58 118.21 3n3w h GLU 99 Ca 0.29 -0.61 -0.10 0.00 -1.18 0.00 0.00 59.36 57.76 3n3w h GLU 99 Cb -0.06 0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 3n3w h GLU 99 CO -0.07 1.23 -0.17 1.49 -1.18 0.00 0.00 179.01 180.31 3n3w h GLU 100 N 0.61 0.77 0.00 1.92 4.81 -0.93 -0.25 114.58 121.51 3n3w h GLU 100 Ca -0.02 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 3n3w h GLU 100 Cb 1.28 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3n3w h GLU 100 CO 0.14 0.89 -0.21 -0.91 -0.73 0.00 0.00 179.01 178.19 3n3w h ASN 101 N 0.68 0.00 -0.14 1.04 2.35 -0.64 -2.53 115.58 116.34 3n3w h ASN 101 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3n3w h ASN 101 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3n3w h ASN 101 CO 0.05 0.21 0.00 0.59 -1.65 0.00 0.00 177.43 176.62 3n3w n ASN 102 N -3.50 0.76 0.00 5.81 3.02 -0.23 -4.87 115.26 116.25 3n3w n ASN 102 Ca -0.01 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 3n3w n ASN 102 Cb 0.37 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.73 0.56 0.36 7.41 0.00 -0.95 -4.98 105.19 108.31 3n3w n GLY 103 Ca 0.05 -0.83 0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 0.79 2.00 -0.02 0.00 -1.17 -1.73 103.07 102.94 3n3w h GLY 104 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3n3w h GLY 104 CO 0.00 0.13 0.00 0.50 0.00 0.00 0.00 176.54 177.17 3n3w h LYS 105 N 0.55 0.00 -0.02 4.80 1.57 -1.83 -2.49 116.57 119.14 3n3w h LYS 105 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3n3w h LYS 105 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3n3w h LYS 105 CO -0.11 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.16 3n3w n GLU 106 N -2.96 0.28 -2.06 3.15 1.02 -0.68 -4.50 120.64 114.89 3n3w n GLU 106 Ca -0.01 -1.04 -0.42 0.00 -0.02 0.00 0.00 57.16 55.67 3n3w n GLU 106 Cb 0.18 -1.16 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 3n3w n GLU 106 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3n3w s LYS 107 N -0.71 4.20 0.42 3.49 1.02 -0.94 -4.90 119.74 122.32 3n3w s LYS 107 Ca 0.10 2.13 0.11 0.00 0.02 0.00 0.00 55.97 58.34 3n3w s LYS 107 Cb 0.07 -3.90 0.95 0.00 -0.52 0.00 0.00 37.83 34.44 3n3w s LYS 107 CO 0.10 -0.80 1.99 -1.35 -0.92 0.00 0.00 175.35 174.37 3n3w h PRO 108 N 9.16 0.48 -0.24 -1.68 0.11 -1.93 -1.48 132.00 136.41 3n3w h PRO 108 Ca -0.38 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.60 3n3w h PRO 108 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3n3w h PRO 108 CO 0.95 0.32 -0.28 0.66 -0.21 0.00 0.00 178.00 179.43 3n3w h SER 109 N 0.49 0.48 -0.19 -2.05 4.64 -1.90 -0.58 113.55 114.44 3n3w h SER 109 Ca 0.27 -0.17 -0.10 0.00 -0.47 0.00 0.00 61.79 61.32 3n3w h SER 109 Cb 0.41 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3n3w h SER 109 CO -0.08 0.75 -0.27 0.40 -0.87 0.00 0.00 176.83 176.76 3n3w h ILE 110 N 0.42 1.34 -0.07 0.95 2.04 -1.65 -0.85 117.51 119.68 3n3w h ILE 110 Ca 0.06 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 3n3w h ILE 110 Cb 0.71 1.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.62 3n3w h ILE 110 CO 0.05 0.45 0.04 -0.07 0.00 0.00 0.00 178.15 178.62 3n3w h LEU 111 N 0.18 0.09 -0.01 1.44 3.38 -1.23 -2.03 115.31 117.13 3n3w h LEU 111 Ca 0.02 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3n3w h LEU 111 Cb 0.84 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3n3w h LEU 111 CO 0.06 0.15 -0.05 -1.28 0.09 0.00 0.00 178.44 177.41 3n3w h SER 112 N 0.03 -0.15 -0.88 -0.43 0.87 -1.10 -2.16 113.55 109.73 3n3w h SER 112 Ca 0.03 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.67 3n3w h SER 112 Cb 0.08 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.04 3n3w h SER 112 CO -0.00 -0.08 0.55 0.44 -0.53 0.00 0.00 176.83 177.21 3n3w h ASP 113 N -0.09 0.87 -0.62 6.23 3.32 -1.09 -2.14 116.42 122.91 3n3w h ASP 113 Ca 0.03 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3n3w h ASP 113 Cb 0.12 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3n3w h ASP 113 CO -0.07 0.56 0.16 0.00 -1.72 0.00 0.00 179.24 178.17 3n3w h ALA 114 N 1.40 0.82 -0.03 3.45 0.00 -1.19 -0.73 119.26 122.98 3n3w h ALA 114 Ca 0.38 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3n3w h ALA 114 Cb 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3n3w h ALA 114 CO -0.17 0.52 -0.03 1.25 0.00 0.00 0.00 179.25 180.83 3n3w h LEU 115 N 0.91 -0.08 -0.57 0.00 5.85 -1.02 -1.17 115.31 119.22 3n3w h LEU 115 Ca 0.20 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3n3w h LEU 115 Cb 0.35 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3n3w h LEU 115 CO 0.00 -0.04 0.36 -0.33 -0.34 0.00 0.00 178.44 178.09 3n3w h GLU 116 N -0.04 0.70 -0.43 1.25 5.08 -1.25 -1.23 114.58 118.67 3n3w h GLU 116 Ca 0.02 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3n3w h GLU 116 Cb 0.07 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3n3w h GLU 116 CO -0.05 0.46 0.06 0.00 -1.00 0.00 0.00 179.01 178.48 3n3w h ALA 117 N 1.24 1.30 -0.35 3.43 0.00 -0.87 0.70 119.26 124.71 3n3w h ALA 117 Ca 0.22 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3n3w h ALA 117 Cb -0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3n3w h ALA 117 CO -0.08 0.48 0.04 0.82 0.00 0.00 0.00 179.25 180.51 3n3w h ILE 118 N 0.63 1.25 -0.57 0.00 2.04 -0.60 0.26 117.51 120.52 3n3w h ILE 118 Ca 0.14 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 3n3w h ILE 118 Cb 0.31 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 3n3w h ILE 118 CO 0.01 0.30 0.08 0.40 0.00 0.00 0.00 178.15 178.93 3n3w h ILE 119 N 0.41 1.25 -0.65 -0.67 1.08 -0.85 -0.59 117.51 117.49 3n3w h ILE 119 Ca 0.10 -0.95 -0.04 0.00 -0.39 0.00 0.00 64.86 63.58 3n3w h ILE 119 Cb 0.39 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 3n3w h ILE 119 CO 0.01 0.35 0.25 1.23 -0.69 0.00 0.00 178.15 179.30 3n3w h GLY 120 N 1.01 1.04 0.95 5.37 0.00 -0.51 -1.71 103.07 109.21 3n3w h GLY 120 Ca 0.18 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3n3w h GLY 120 CO 0.01 0.52 0.16 0.00 0.00 0.00 0.00 176.54 177.23 3n3w h ALA 121 N 1.32 0.55 -0.41 3.60 0.00 0.65 -2.02 119.26 122.94 3n3w h ALA 121 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3n3w h ALA 121 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3n3w h ALA 121 CO -0.02 0.16 0.15 0.82 0.00 0.00 0.00 179.25 180.37 3n3w h ILE 122 N 0.53 1.21 -0.75 0.00 2.04 -0.97 -1.16 117.51 118.41 3n3w h ILE 122 Ca 0.14 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.37 3n3w h ILE 122 Cb 0.21 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3n3w h ILE 122 CO -0.01 0.24 0.47 -0.74 0.00 0.00 0.00 178.15 178.11 3n3w h HIS 123 N 0.53 0.88 -0.62 1.37 2.76 -1.21 0.40 115.15 119.25 3n3w h HIS 123 Ca 0.14 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.27 3n3w h HIS 123 Cb 0.22 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.87 3n3w h HIS 123 CO 0.01 0.50 0.14 1.25 -1.30 0.00 0.00 177.93 178.52 3n3w h LEU 124 N 0.91 0.96 0.18 0.26 5.85 -1.01 -0.12 115.31 122.35 3n3w h LEU 124 Ca 0.30 -0.24 -0.33 0.00 0.84 0.00 0.00 57.88 58.45 3n3w h LEU 124 Cb 0.03 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 40.82 3n3w h LEU 124 CO -0.12 0.96 -1.60 -0.08 -0.34 0.00 0.00 178.44 177.25 3n3w h GLU 125 N 0.92 0.38 -0.01 1.25 4.81 -0.81 -3.40 114.58 117.73 3n3w h GLU 125 Ca 0.19 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 3n3w h GLU 125 Cb 0.38 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.01 3n3w h GLU 125 CO 0.01 1.31 0.00 0.00 -0.73 0.00 0.00 179.01 179.60 3n3w n ALA 126 N -2.86 2.48 0.00 2.92 0.00 0.14 -5.09 120.51 118.10 3n3w n ALA 126 Ca -0.23 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.65 3n3w n ALA 126 Cb 1.03 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.27 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 0.35 -0.53 0.13 0.00 0.00 -0.06 -4.42 105.19 100.66 3n3w n GLY 127 Ca 0.04 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.22 -0.74 1.61 3.57 -1.90 -2.25 116.94 117.00 3n3w h PHE 128 Ca 0.00 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.60 3n3w h PHE 128 Cb 0.00 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.78 3n3w h PHE 128 CO 0.00 -0.13 0.49 0.93 -2.23 0.00 0.00 178.31 177.36 3n3w h GLU 129 N -0.17 0.62 -0.22 1.11 4.39 -1.96 0.16 114.58 118.51 3n3w h GLU 129 Ca 0.02 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 3n3w h GLU 129 Cb 0.19 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3n3w h GLU 129 CO -0.06 0.41 -0.25 0.35 -1.16 0.00 0.00 179.01 178.30 3n3w h PHE 130 N 0.64 0.67 -0.98 4.33 3.57 -1.69 -1.94 116.94 121.53 3n3w h PHE 130 Ca 0.34 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.67 3n3w h PHE 130 Cb 0.48 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 3n3w h PHE 130 CO -0.00 0.91 0.64 0.00 -2.23 0.00 0.00 178.31 177.63 3n3w h ALA 131 N 0.65 1.30 0.11 2.41 0.00 -0.72 -2.47 119.26 120.54 3n3w h ALA 131 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3n3w h ALA 131 Cb 0.81 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3n3w h ALA 131 CO 0.06 0.53 -0.18 -0.22 0.00 0.00 0.00 179.25 179.44 3n3w h LYS 132 N 1.24 -0.33 -0.66 0.00 3.64 -0.55 -0.42 116.57 119.49 3n3w h LYS 132 Ca 0.39 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 3n3w h LYS 132 Cb 0.01 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3n3w h LYS 132 CO -0.13 -0.22 0.38 1.15 -2.27 0.00 0.00 179.45 178.36 3n3w h THR 133 N -0.35 1.01 -0.47 1.00 2.02 -1.02 0.20 112.91 115.31 3n3w h THR 133 Ca 0.02 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3n3w h THR 133 Cb 0.36 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3n3w h THR 133 CO -0.09 0.13 0.18 0.40 0.37 0.00 0.00 175.52 176.51 3n3w h ILE 134 N 0.72 1.21 -0.16 3.11 1.08 -1.24 -2.29 117.51 119.93 3n3w h ILE 134 Ca 0.28 -0.66 -0.05 0.00 -0.39 0.00 0.00 64.86 64.04 3n3w h ILE 134 Cb 0.13 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 34.63 3n3w h ILE 134 CO -0.15 0.25 -0.09 0.00 -0.69 0.00 0.00 178.15 177.46 3n3w h ALA 135 N 1.03 0.23 -0.71 1.87 0.00 -0.27 -1.67 119.26 119.75 3n3w h ALA 135 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3n3w h ALA 135 Cb 0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3n3w h ALA 135 CO -0.01 0.05 0.37 -0.07 0.00 0.00 0.00 179.25 179.59 3n3w h LEU 136 N 0.02 0.88 -0.70 0.00 3.38 -0.64 -1.00 115.31 117.25 3n3w h LEU 136 Ca 0.03 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3n3w h LEU 136 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3n3w h LEU 136 CO 0.03 0.72 -0.17 -0.09 0.09 0.00 0.00 178.44 179.02 3n3w h ARG 137 N 0.99 0.83 -0.55 1.13 2.43 -1.26 -0.45 114.38 117.50 3n3w h ARG 137 Ca 0.25 -0.31 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3n3w h ARG 137 Cb 0.04 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3n3w h ARG 137 CO -0.04 0.94 -0.09 -0.07 -1.51 0.00 0.00 179.97 179.20 3n3w h LEU 138 N 0.74 1.03 -0.36 3.80 3.38 -0.76 -1.56 115.31 121.58 3n3w h LEU 138 Ca 0.11 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3n3w h LEU 138 Cb 0.68 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3n3w h LEU 138 CO 0.05 1.13 -0.10 0.40 0.09 0.00 0.00 178.44 180.01 3n3w h ILE 139 N 0.91 1.28 -0.69 1.22 2.04 -1.08 -2.70 117.51 118.49 3n3w h ILE 139 Ca 0.15 -1.18 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 3n3w h ILE 139 Cb 0.66 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 3n3w h ILE 139 CO 0.05 0.39 0.14 -0.08 0.00 0.00 0.00 178.15 178.64 3n3w h GLU 140 N 0.51 1.12 -0.38 2.37 4.22 -1.03 0.26 114.58 121.66 3n3w h GLU 140 Ca 0.09 -0.29 -0.05 0.00 0.08 0.00 0.00 59.36 59.20 3n3w h GLU 140 Cb 0.62 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3n3w h GLU 140 CO 0.04 1.01 0.04 0.87 -2.18 0.00 0.00 179.01 178.79 3n3w h LYS 141 N 1.05 0.58 0.00 1.92 1.57 -1.24 -2.67 116.57 117.78 3n3w h LYS 141 Ca 0.21 -0.11 -0.32 0.00 -1.87 0.00 0.00 60.65 58.56 3n3w h LYS 141 Cb 0.41 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 3n3w h LYS 141 CO 0.01 0.57 -1.92 0.09 -0.57 0.00 0.00 179.45 177.62 3n3w n ASN 142 N -4.29 0.68 -3.19 0.86 3.02 -1.03 -4.66 115.26 106.66 3n3w n ASN 142 Ca 0.02 0.28 -0.24 0.00 -0.03 0.00 0.00 54.58 54.61 3n3w n ASN 142 Cb 0.23 0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.98 2.07 -2.15 3.10 3.72 0.90 -5.09 117.46 117.04 3n3w n PHE 143 Ca -0.22 -3.90 -0.42 0.00 -0.05 0.00 0.00 57.45 52.85 3n3w n PHE 143 Cb 1.08 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 39.13 3n3w n PHE 143 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3n3w s PRO 144 N -2.43 4.33 0.56 -1.08 0.05 -1.01 -4.66 135.00 130.75 3n3w s PRO 144 Ca 0.41 2.11 -0.04 0.00 0.05 0.00 0.00 61.00 63.53 3n3w s PRO 144 Cb 0.23 -3.21 0.01 0.00 0.05 0.00 0.00 34.50 31.58 3n3w s PRO 144 CO -0.08 -0.39 0.85 -0.65 0.05 0.00 0.00 177.00 176.78 3n3w s GLN 145 N 0.60 2.92 -0.29 4.56 -1.52 -1.26 -5.08 119.66 119.60 3n3w s GLN 145 Ca 0.62 -0.13 -0.10 0.00 -1.95 0.00 0.00 55.36 53.80 3n3w s GLN 145 Cb -0.38 -2.33 -0.03 0.00 -0.22 0.00 0.00 33.01 30.05 3n3w s GLN 145 CO 0.34 -0.63 0.16 0.42 -0.25 0.00 0.00 175.29 175.33 3n3w s ILE 146 N -2.90 4.94 0.00 1.08 1.01 -1.26 -5.24 121.20 118.83 3n3w s ILE 146 Ca 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.09 3n3w s ILE 146 Cb -0.10 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3n3w s ILE 146 CO 0.43 0.19 0.00 0.47 0.00 0.00 0.00 174.94 176.04