#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nww s ILE 5 N 0.00 5.20 0.26 3.15 1.01 -1.26 -5.04 121.20 124.53 1nww s ILE 5 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.57 1nww s ILE 5 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 1nww s ILE 5 CO 0.00 0.11 0.46 -1.61 0.00 0.00 0.00 174.94 173.91 1nww s GLU 6 N 1.72 3.52 -0.10 2.79 8.01 -1.26 -5.02 118.70 128.37 1nww s GLU 6 Ca 0.06 -0.31 -0.30 0.00 0.01 0.00 0.00 54.97 54.43 1nww s GLU 6 Cb -0.17 -2.76 -0.03 0.00 -4.31 0.00 0.00 34.13 26.87 1nww s GLU 6 CO 0.10 0.30 1.23 -0.65 0.01 0.00 0.00 175.26 176.24 1nww s GLN 7 N -3.71 4.30 0.59 1.61 -1.52 -1.26 -5.00 119.66 114.67 1nww s GLN 7 Ca 0.39 1.67 -0.17 0.00 -1.95 0.00 0.00 55.36 55.31 1nww s GLN 7 Cb -0.10 -3.64 -0.03 0.00 -0.22 0.00 0.00 33.01 29.01 1nww s GLN 7 CO 0.31 -0.55 1.08 -1.25 -0.25 0.00 0.00 175.29 174.63 1nww s PRO 8 N 2.74 3.22 0.55 2.91 0.04 -1.26 -4.92 135.00 138.28 1nww s PRO 8 Ca 0.55 1.34 0.22 0.00 0.04 0.00 0.00 61.00 63.16 1nww s PRO 8 Cb -0.24 -2.01 1.50 0.00 0.04 0.00 0.00 34.50 33.79 1nww s PRO 8 CO 0.19 -0.91 2.19 0.00 0.04 0.00 0.00 177.00 178.51 1nww h ARG 9 N 0.56 0.00 -0.06 4.56 3.08 -2.05 -2.05 114.38 118.42 1nww h ARG 9 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1nww h ARG 9 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1nww h ARG 9 CO 0.56 0.00 0.00 -2.67 -1.07 0.00 0.00 179.97 176.79 1nww n TRP 10 N -4.25 0.07 -1.65 3.04 4.27 -1.26 -4.96 117.44 112.69 1nww n TRP 10 Ca -0.03 -0.03 -0.44 0.00 -3.89 0.00 0.00 57.50 53.11 1nww n TRP 10 Cb 0.09 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.03 1nww n TRP 10 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1nww n ALA 11 N 0.20 0.66 -1.76 -1.67 0.00 -0.77 -4.93 120.51 112.24 1nww n ALA 11 Ca 0.18 0.39 -0.38 0.00 0.00 0.00 0.00 53.44 53.62 1nww n ALA 11 Cb 0.34 -2.17 0.02 0.00 0.00 0.00 0.00 19.45 17.64 1nww n ALA 11 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nww s SER 12 N -0.24 5.79 0.00 0.00 0.15 -1.26 -4.93 113.70 113.21 1nww s SER 12 Ca 0.60 2.65 0.18 0.00 0.70 0.00 0.00 55.95 60.08 1nww s SER 12 Cb -0.64 -2.63 0.52 0.00 -1.71 0.00 0.00 66.02 61.55 1nww s SER 12 CO 0.58 -1.21 1.42 0.29 1.20 0.00 0.00 173.24 175.53 1nww n LYS 13 N -0.54 2.13 -3.19 5.44 5.02 -1.26 -4.84 118.16 120.92 1nww n LYS 13 Ca 0.07 -1.74 -0.41 0.00 -2.02 0.00 0.00 58.31 54.22 1nww n LYS 13 Cb 0.45 -1.42 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1nww n LYS 13 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nww s ASP 14 N -1.23 6.39 0.43 4.39 -1.08 -1.26 -4.95 116.67 119.36 1nww s ASP 14 Ca 0.34 0.18 0.12 0.00 -0.52 0.00 0.00 52.55 52.67 1nww s ASP 14 Cb 0.19 -2.29 0.98 0.00 -1.46 0.00 0.00 42.92 40.33 1nww s ASP 14 CO 0.25 -0.47 2.01 0.28 0.52 0.00 0.00 175.17 177.76 1nww h SER 15 N 8.34 0.39 0.41 -0.34 0.02 -2.00 -0.59 113.55 119.78 1nww h SER 15 Ca -0.28 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.62 1nww h SER 15 Cb 1.12 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1nww h SER 15 CO 0.78 0.25 -0.26 0.00 -1.14 0.00 0.00 176.83 176.46 1nww h ALA 16 N 1.72 1.35 0.00 3.77 0.00 -1.92 -2.06 119.26 122.12 1nww h ALA 16 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1nww h ALA 16 Cb 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1nww h ALA 16 CO -0.06 0.33 -0.27 0.00 0.00 0.00 0.00 179.25 179.25 1nww h ALA 17 N 1.74 1.50 -0.11 0.00 0.00 -1.39 -2.98 119.26 118.02 1nww h ALA 17 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nww h ALA 17 Cb 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nww h ALA 17 CO 0.03 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1nww n GLY 18 N -0.70 0.79 3.43 0.00 0.00 -0.81 -1.10 105.19 106.80 1nww n GLY 18 Ca -0.02 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 1nww n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nww s ALA 19 N -1.89 2.52 0.18 4.61 0.00 -0.99 -4.83 121.76 121.36 1nww s ALA 19 Ca 0.33 -1.30 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 1nww s ALA 19 Cb 0.20 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.62 1nww s ALA 19 CO 0.31 0.57 1.55 0.00 0.00 0.00 0.00 175.76 178.19 1nww s ALA 20 N -0.98 3.76 0.00 0.00 0.00 -1.26 -4.83 121.76 118.44 1nww s ALA 20 Ca 0.15 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1nww s ALA 20 Cb -0.10 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.40 1nww s ALA 20 CO 0.06 -0.78 0.59 0.43 0.00 0.00 0.00 175.76 176.05 1nww n SER 21 N 3.65 1.12 -4.06 0.00 7.64 -1.26 -4.86 113.62 115.84 1nww n SER 21 Ca 0.13 -1.28 -0.08 0.00 1.01 0.00 0.00 58.87 58.64 1nww n SER 21 Cb 0.39 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.49 1nww n SER 21 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1nww s THR 22 N -0.28 0.17 0.21 0.44 -4.23 -1.26 -5.04 115.64 105.66 1nww s THR 22 Ca 0.00 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 58.71 1nww s THR 22 Cb 0.00 -1.62 0.15 0.00 1.34 0.00 0.00 72.50 72.37 1nww s THR 22 CO 0.00 -0.80 1.81 -0.65 -0.54 0.00 0.00 174.62 174.44 1nww h PRO 23 N 3.00 0.67 -0.77 3.99 0.11 -1.99 -0.74 132.00 136.26 1nww h PRO 23 Ca -0.34 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 1nww h PRO 23 Cb 1.17 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1nww h PRO 23 CO 0.62 0.44 0.30 -0.44 -0.21 0.00 0.00 178.00 178.71 1nww h ASP 24 N 0.69 1.07 -0.62 -2.05 3.32 -2.00 -2.32 116.42 114.51 1nww h ASP 24 Ca 0.31 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.16 1nww h ASP 24 Cb 0.21 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1nww h ASP 24 CO -0.19 0.96 0.29 -0.33 -1.72 0.00 0.00 179.24 178.24 1nww h GLU 25 N 1.13 0.92 -0.70 3.56 5.08 -1.84 -1.83 114.58 120.90 1nww h GLU 25 Ca 0.26 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1nww h GLU 25 Cb 0.23 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1nww h GLU 25 CO -0.02 0.73 0.40 0.87 -1.00 0.00 0.00 179.01 179.99 1nww h LYS 26 N 0.92 0.97 -0.58 2.33 1.57 -0.72 -1.68 116.57 119.38 1nww h LYS 26 Ca 0.22 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1nww h LYS 26 Cb 0.13 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1nww h LYS 26 CO -0.03 0.71 0.28 0.82 -0.57 0.00 0.00 179.45 180.67 1nww h ILE 27 N 0.96 1.21 -0.76 1.86 2.04 -1.13 -1.38 117.51 120.31 1nww h ILE 27 Ca 0.25 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1nww h ILE 27 Cb 0.01 0.52 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1nww h ILE 27 CO -0.04 0.24 0.45 0.58 0.00 0.00 0.00 178.15 179.38 1nww h VAL 28 N 0.80 1.22 -0.21 1.67 2.07 -0.94 0.16 116.25 121.01 1nww h VAL 28 Ca 0.20 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 1nww h VAL 28 Cb 0.12 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1nww h VAL 28 CO -0.03 0.23 -0.27 -0.07 0.02 0.00 0.00 177.57 177.45 1nww h LEU 29 N 1.04 0.41 -0.75 2.57 3.38 -1.10 -0.03 115.31 120.83 1nww h LEU 29 Ca 0.27 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nww h LEU 29 Cb -0.03 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1nww h LEU 29 CO -0.05 0.68 0.39 -0.33 0.09 0.00 0.00 178.44 179.22 1nww h GLU 30 N 0.36 1.07 -0.72 1.13 5.08 -0.54 -1.37 114.58 119.59 1nww h GLU 30 Ca 0.05 -0.14 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1nww h GLU 30 Cb 0.67 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1nww h GLU 30 CO 0.05 0.81 0.18 0.35 -1.00 0.00 0.00 179.01 179.40 1nww h PHE 31 N 1.05 1.21 -0.77 4.33 3.04 -0.43 -1.43 116.94 123.93 1nww h PHE 31 Ca 0.26 -0.14 0.02 0.00 3.98 0.00 0.00 57.97 62.09 1nww h PHE 31 Cb 0.08 -0.34 -0.04 0.00 2.56 0.00 0.00 35.95 38.20 1nww h PHE 31 CO 0.00 0.97 0.50 0.52 -2.02 0.00 0.00 178.31 178.29 1nww h MET 32 N 1.09 0.97 -0.63 1.11 2.86 -0.72 -1.40 114.93 118.21 1nww h MET 32 Ca 0.23 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1nww h MET 32 Cb 0.37 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1nww h MET 32 CO 0.00 0.64 0.28 -0.44 1.06 0.00 0.00 176.91 178.45 1nww h ASP 33 N 1.00 0.82 0.93 1.22 3.32 -0.84 -2.74 116.42 120.14 1nww h ASP 33 Ca 0.29 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1nww h ASP 33 Cb -0.06 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.27 1nww h ASP 33 CO -0.08 0.72 -0.15 0.00 -1.72 0.00 0.00 179.24 178.00 1nww h ALA 34 N 1.41 1.03 -0.73 3.45 0.00 -0.21 -3.27 119.26 120.94 1nww h ALA 34 Ca 0.22 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1nww h ALA 34 Cb 0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1nww h ALA 34 CO -0.02 0.19 0.49 -0.07 0.00 0.00 0.00 179.25 179.83 1nww h LEU 35 N 0.00 0.39 0.00 0.00 3.38 -1.07 -0.59 115.31 117.42 1nww h LEU 35 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1nww h LEU 35 Cb 0.66 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1nww h LEU 35 CO 0.02 0.20 0.00 0.35 0.09 0.00 0.00 178.44 179.10 1nww n THR 36 N -4.48 0.62 0.24 0.22 -2.24 -1.23 -1.83 114.28 105.58 1nww n THR 36 Ca 0.14 0.15 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 1nww n THR 36 Cb 0.51 -0.90 0.54 0.00 -2.10 0.00 0.00 70.33 68.37 1nww n THR 36 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1nww h SER 37 N 0.00 0.00 -3.90 3.42 4.64 -1.34 -3.47 113.55 112.90 1nww h SER 37 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1nww h SER 37 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1nww h SER 37 CO 0.00 0.18 -0.50 0.59 -0.87 0.00 0.00 176.83 176.23 1nww n ASN 38 N -3.38 -5.15 -3.95 4.97 3.02 -0.76 -4.93 115.26 105.08 1nww n ASN 38 Ca -0.00 -0.07 -0.31 0.00 -0.03 0.00 0.00 54.58 54.17 1nww n ASN 38 Cb 0.38 -4.27 -0.15 0.00 -0.61 0.00 0.00 39.78 35.13 1nww n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1nww s ASP 39 N -2.29 4.56 0.34 6.41 -1.08 -1.26 -4.90 116.67 118.46 1nww s ASP 39 Ca 0.12 -2.00 0.02 0.00 -0.52 0.00 0.00 52.55 50.17 1nww s ASP 39 Cb -0.06 -1.43 0.59 0.00 -1.46 0.00 0.00 42.92 40.56 1nww s ASP 39 CO 0.15 -0.38 1.98 0.00 0.52 0.00 0.00 175.17 177.44 1nww h ALA 40 N 7.74 1.49 -0.46 3.66 0.00 -1.91 -0.64 119.26 129.14 1nww h ALA 40 Ca -0.07 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1nww h ALA 40 Cb 1.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1nww h ALA 40 CO 0.51 0.45 -0.05 0.00 0.00 0.00 0.00 179.25 180.15 1nww h ALA 41 N 1.56 1.04 -0.15 0.00 0.00 -1.93 -0.25 119.26 119.53 1nww h ALA 41 Ca 0.23 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1nww h ALA 41 Cb -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1nww h ALA 41 CO -0.04 0.59 -0.15 -0.22 0.00 0.00 0.00 179.25 179.42 1nww h LYS 42 N 0.73 0.37 -0.13 0.00 3.64 -1.80 -3.30 116.57 116.08 1nww h LYS 42 Ca 0.13 -0.20 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1nww h LYS 42 Cb 0.52 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1nww h LYS 42 CO 0.03 0.75 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.52 1nww h LEU 43 N 0.01 0.28 -2.27 5.20 3.38 -1.00 -2.96 115.31 117.95 1nww h LEU 43 Ca 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1nww h LEU 43 Cb 0.68 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1nww h LEU 43 CO 0.04 0.63 -0.02 -0.29 0.09 0.00 0.00 178.44 178.88 1nww h ILE 44 N 0.23 0.13 0.00 1.22 6.09 -1.12 -1.95 117.51 122.12 1nww h ILE 44 Ca 0.03 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 1nww h ILE 44 Cb 0.76 1.23 0.00 0.00 0.47 0.00 0.00 36.82 39.28 1nww h ILE 44 CO 0.06 0.02 0.00 -0.33 -3.07 0.00 0.00 178.15 174.83 1nww h GLU 45 N 0.00 0.00 0.00 2.19 4.39 -1.66 -1.58 114.58 117.93 1nww h GLU 45 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nww h GLU 45 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1nww h GLU 45 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 1nww n TYR 46 N -3.01 0.43 -3.79 4.33 4.02 -0.73 -4.87 117.16 113.54 1nww n TYR 46 Ca -0.02 0.14 -0.37 0.00 -0.01 0.00 0.00 57.90 57.64 1nww n TYR 46 Cb 0.15 -0.72 -0.06 0.00 -0.02 0.00 0.00 39.34 38.69 1nww n TYR 46 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1nww s PHE 47 N -3.08 3.63 0.82 -0.72 0.40 -0.60 -0.55 117.98 117.88 1nww s PHE 47 Ca 0.10 0.64 -0.11 0.00 -0.60 0.00 0.00 56.93 56.96 1nww s PHE 47 Cb 0.14 -2.02 0.08 0.00 0.51 0.00 0.00 43.02 41.73 1nww s PHE 47 CO 0.49 0.71 1.09 0.00 0.70 0.00 0.00 175.22 178.22 1nww s ALA 48 N -1.05 2.03 0.19 5.36 0.00 -0.59 -4.77 121.76 122.92 1nww s ALA 48 Ca 0.17 0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.08 1nww s ALA 48 Cb -0.13 -3.20 0.11 0.00 0.00 0.00 0.00 23.12 19.89 1nww s ALA 48 CO 0.07 -1.93 1.74 0.93 0.00 0.00 0.00 175.76 176.57 1nww h GLU 49 N -1.24 1.03 -4.71 0.00 4.39 -1.97 -3.37 114.58 108.71 1nww h GLU 49 Ca -0.46 -0.20 -0.71 0.00 0.34 0.00 0.00 59.36 58.33 1nww h GLU 49 Cb 1.25 -0.16 -0.20 0.00 -0.10 0.00 0.00 28.75 29.55 1nww h GLU 49 CO 0.54 0.88 -0.15 -0.51 -1.16 0.00 0.00 179.01 178.61 1nww s ASP 50 N -6.25 6.19 0.33 1.42 1.01 -1.26 -1.90 116.67 116.21 1nww s ASP 50 Ca -0.13 -1.00 -0.15 0.00 0.71 0.00 0.00 52.55 51.99 1nww s ASP 50 Cb 0.14 -2.24 0.03 0.00 1.01 0.00 0.00 42.92 41.86 1nww s ASP 50 CO 0.82 -0.73 0.69 0.28 0.21 0.00 0.00 175.17 176.44 1nww s THR 51 N 2.16 0.00 0.03 -1.27 -1.32 -1.26 -4.63 115.64 109.35 1nww s THR 51 Ca 0.10 -1.12 -0.20 0.00 -1.21 0.00 0.00 61.69 59.26 1nww s THR 51 Cb -0.20 -2.49 0.04 0.00 -1.51 0.00 0.00 72.50 68.34 1nww s THR 51 CO 0.10 0.00 0.45 0.00 -2.21 0.00 0.00 174.62 172.97 1nww s MET 52 N -3.12 0.93 -0.02 7.08 0.23 -1.06 -0.56 119.30 122.79 1nww s MET 52 Ca 0.17 -0.24 0.01 0.00 -1.03 0.00 0.00 55.69 54.59 1nww s MET 52 Cb -0.04 0.42 0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1nww s MET 52 CO 0.11 -0.31 -0.01 -0.47 -2.03 0.00 0.00 175.02 172.31 1nww s TYR 53 N -2.18 0.28 -0.09 3.16 5.04 -0.49 -1.58 117.35 121.50 1nww s TYR 53 Ca -0.07 -0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.51 1nww s TYR 53 Cb -0.01 -0.33 0.05 0.00 0.35 0.00 0.00 41.96 42.01 1nww s TYR 53 CO 0.00 -0.09 0.19 -1.14 -1.34 0.00 0.00 175.55 173.17 1nww s GLN 54 N 0.72 0.12 -0.46 4.97 0.74 -0.08 -0.84 119.66 124.83 1nww s GLN 54 Ca -0.07 0.50 -0.27 0.00 0.05 0.00 0.00 55.36 55.57 1nww s GLN 54 Cb -0.10 -0.16 0.03 0.00 1.10 0.00 0.00 33.01 33.88 1nww s GLN 54 CO -0.01 -0.20 1.02 -0.80 -0.55 0.00 0.00 175.29 174.75 1nww s ASN 55 N 1.54 6.58 0.57 6.67 0.01 -1.26 -1.30 114.94 127.76 1nww s ASN 55 Ca -0.06 0.32 0.27 0.00 -0.71 0.00 0.00 52.86 52.68 1nww s ASN 55 Cb -0.11 -2.50 1.58 0.00 0.41 0.00 0.00 41.25 40.63 1nww s ASN 55 CO -0.07 -1.13 2.09 0.24 -1.51 0.00 0.00 177.10 176.72 1nww h MET 56 N 9.09 0.00 0.00 -0.60 2.86 -1.35 0.86 114.93 125.79 1nww h MET 56 Ca -0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1nww h MET 56 Cb 1.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.73 1nww h MET 56 CO 1.07 0.00 0.00 -2.30 1.06 0.00 0.00 176.91 176.74 1nww n PRO 57 N -3.96 0.01 -4.34 -0.22 -0.02 -1.26 -4.83 135.00 120.37 1nww n PRO 57 Ca 0.02 0.32 -0.17 0.00 -2.02 0.00 0.00 63.50 61.65 1nww n PRO 57 Cb 0.35 -1.51 -0.10 0.00 -0.02 0.00 0.00 33.50 32.22 1nww n PRO 57 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1nww s LEU 58 N -3.04 2.23 0.67 2.45 1.43 0.30 -5.08 118.68 117.62 1nww s LEU 58 Ca 0.05 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.78 1nww s LEU 58 Cb 0.07 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.99 1nww s LEU 58 CO 0.20 -0.49 1.19 -2.84 0.23 0.00 0.00 176.35 174.64 1nww s PRO 59 N -3.85 2.56 0.67 1.29 0.02 -1.26 -4.59 135.00 129.84 1nww s PRO 59 Ca 0.28 1.73 -0.12 0.00 0.02 0.00 0.00 61.00 62.91 1nww s PRO 59 Cb 0.05 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.68 1nww s PRO 59 CO 0.09 -1.50 1.06 -1.25 -0.33 0.00 0.00 177.00 175.06 1nww s PRO 60 N -3.72 3.07 -0.16 5.54 0.04 -1.26 -4.71 135.00 133.79 1nww s PRO 60 Ca 0.74 0.99 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 1nww s PRO 60 Cb -0.28 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1nww s PRO 60 CO 0.40 -1.00 -0.08 0.00 0.04 0.00 0.00 177.00 176.36 1nww s ALA 61 N -2.93 2.78 -0.14 8.56 0.00 -0.02 -5.00 121.76 125.00 1nww s ALA 61 Ca 0.59 -0.92 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1nww s ALA 61 Cb -0.14 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 1nww s ALA 61 CO 0.51 0.10 -0.12 0.71 0.00 0.00 0.00 175.76 176.97 1nww s TYR 62 N 0.57 2.84 0.00 0.00 1.51 -1.26 -1.39 117.35 119.62 1nww s TYR 62 Ca -0.06 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.38 1nww s TYR 62 Cb -0.15 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1nww s TYR 62 CO 0.03 -0.21 0.00 0.41 -1.11 0.00 0.00 175.55 174.67 1nww n GLY 63 N 3.59 0.18 0.34 0.71 0.00 0.28 -4.39 105.19 105.90 1nww n GLY 63 Ca -0.18 -1.55 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 1nww n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nww h ARG 64 N 0.00 1.06 -0.29 1.61 2.43 -1.60 -1.90 114.38 115.69 1nww h ARG 64 Ca 0.00 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 1nww h ARG 64 Cb 0.00 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1nww h ARG 64 CO 0.00 0.78 0.11 -0.44 -1.51 0.00 0.00 179.97 178.90 1nww h ASP 65 N 1.06 0.41 -0.98 -3.80 3.32 -1.87 -0.63 116.42 113.93 1nww h ASP 65 Ca 0.27 -0.18 0.06 0.00 0.02 0.00 0.00 57.03 57.19 1nww h ASP 65 Cb 0.03 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 1nww h ASP 65 CO -0.04 0.48 0.64 0.00 -1.72 0.00 0.00 179.24 178.59 1nww h ALA 66 N 0.95 1.41 -0.05 3.45 0.00 -1.67 -0.73 119.26 122.61 1nww h ALA 66 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nww h ALA 66 Cb 0.20 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1nww h ALA 66 CO -0.01 0.46 0.03 0.28 0.00 0.00 0.00 179.25 180.02 1nww h VAL 67 N 1.17 1.04 -0.83 0.00 2.07 -1.01 -1.30 116.25 117.39 1nww h VAL 67 Ca 0.41 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.85 1nww h VAL 67 Cb 0.12 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 1nww h VAL 67 CO -0.15 0.03 0.54 -0.08 0.02 0.00 0.00 177.57 177.93 1nww h GLU 68 N 0.04 1.03 -0.16 1.57 4.81 -0.68 -1.35 114.58 119.84 1nww h GLU 68 Ca 0.02 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 1nww h GLU 68 Cb 0.03 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1nww h GLU 68 CO -0.00 0.68 -0.31 1.96 -0.73 0.00 0.00 179.01 180.61 1nww h GLN 69 N 1.06 0.32 -0.09 1.92 4.20 -0.95 0.11 115.11 121.68 1nww h GLN 69 Ca 0.33 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1nww h GLN 69 Cb -0.02 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1nww h GLN 69 CO -0.10 0.59 -0.03 1.15 -0.67 0.00 0.00 178.83 179.77 1nww h THR 70 N 0.28 1.30 -0.81 -0.54 2.02 -0.70 -2.13 112.91 112.32 1nww h THR 70 Ca 0.04 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 1nww h THR 70 Cb 0.68 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.83 1nww h THR 70 CO 0.05 0.27 0.44 -0.07 0.37 0.00 0.00 175.52 176.58 1nww h LEU 71 N -0.17 1.03 -0.92 2.58 3.38 -0.96 0.71 115.31 120.95 1nww h LEU 71 Ca 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1nww h LEU 71 Cb 0.45 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1nww h LEU 71 CO 0.01 0.84 0.56 0.00 0.09 0.00 0.00 178.44 179.94 1nww h ALA 72 N 1.23 1.18 -0.28 1.53 0.00 -0.91 -0.87 119.26 121.14 1nww h ALA 72 Ca 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1nww h ALA 72 Cb 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1nww h ALA 72 CO -0.04 0.63 -0.02 0.78 0.00 0.00 0.00 179.25 180.60 1nww h GLY 73 N 1.27 0.55 0.46 0.00 0.00 -0.90 -2.76 103.07 101.69 1nww h GLY 73 Ca 0.33 -0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.33 1nww h GLY 73 CO -0.06 0.38 0.26 -2.00 0.00 0.00 0.00 176.54 175.12 1nww h LEU 74 N 0.29 0.30 0.00 3.11 6.46 -0.30 -1.29 115.31 123.88 1nww h LEU 74 Ca 0.08 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.90 1nww h LEU 74 Cb 0.46 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.42 1nww h LEU 74 CO 0.02 0.18 0.00 0.49 -0.62 0.00 0.00 178.44 178.51 1nww n PHE 75 N -4.95 0.00 0.15 1.25 0.99 -0.38 -1.11 117.46 113.41 1nww n PHE 75 Ca 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.57 1nww n PHE 75 Cb 0.25 -0.18 0.06 0.00 -1.00 0.00 0.00 39.48 38.61 1nww n PHE 75 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1nww h THR 76 N 0.00 0.81 0.00 4.37 2.02 -0.93 -3.38 112.91 115.80 1nww h THR 76 Ca 0.00 -2.10 -0.08 0.00 0.77 0.00 0.00 66.41 65.01 1nww h THR 76 Cb 0.17 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 1nww h THR 76 CO 0.00 0.45 -1.60 1.33 0.37 0.00 0.00 175.52 176.08 1nww n VAL 77 N -3.24 0.29 -3.99 3.16 0.24 -0.73 -4.88 118.33 109.19 1nww n VAL 77 Ca 0.02 -0.33 -0.09 0.00 -2.04 0.00 0.00 64.34 61.90 1nww n VAL 77 Cb 0.71 -0.15 -0.10 0.00 -1.47 0.00 0.00 33.84 32.83 1nww n VAL 77 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 1nww s MET 78 N -2.57 0.51 -0.11 7.34 1.00 -0.26 -0.57 119.30 124.64 1nww s MET 78 Ca -0.05 -0.84 -0.03 0.00 0.00 0.00 0.00 55.69 54.78 1nww s MET 78 Cb 0.06 0.19 -0.03 0.00 0.00 0.00 0.00 34.83 35.04 1nww s MET 78 CO 0.45 -0.11 -0.01 0.45 0.00 0.00 0.00 175.02 175.81 1nww s SER 79 N -2.16 5.12 -0.57 3.03 0.15 0.25 -4.26 113.70 115.27 1nww s SER 79 Ca -0.05 0.06 -0.22 0.00 0.70 0.00 0.00 55.95 56.44 1nww s SER 79 Cb -0.01 -1.57 0.06 0.00 -1.71 0.00 0.00 66.02 62.78 1nww s SER 79 CO -0.05 0.30 0.85 -0.63 1.20 0.00 0.00 173.24 174.92 1nww s ILE 80 N -0.44 4.52 -0.25 6.45 1.01 -1.26 -0.93 121.20 130.30 1nww s ILE 80 Ca 0.08 -0.14 0.19 0.00 0.00 0.00 0.00 60.65 60.78 1nww s ILE 80 Cb -0.12 -4.51 0.09 0.00 0.01 0.00 0.00 42.46 37.93 1nww s ILE 80 CO 0.02 -1.12 1.29 0.44 0.00 0.00 0.00 174.94 175.57 1nww h ASP 81 N 9.28 0.00 -4.32 3.58 3.32 -1.12 -3.39 116.42 123.78 1nww h ASP 81 Ca -0.27 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.84 1nww h ASP 81 Cb 1.08 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.42 1nww h ASP 81 CO 1.08 0.27 0.49 0.00 -1.72 0.00 0.00 179.24 179.36 1nww s ALA 82 N -3.11 -1.89 -0.03 3.45 0.00 -1.22 -4.97 121.76 113.98 1nww s ALA 82 Ca 0.03 1.46 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1nww s ALA 82 Cb 0.07 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.78 1nww s ALA 82 CO 0.75 -0.38 0.00 0.08 0.00 0.00 0.00 175.76 176.21 1nww s VAL 83 N -1.43 0.16 -0.11 0.00 1.01 -1.26 -0.70 120.40 118.07 1nww s VAL 83 Ca -0.02 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1nww s VAL 83 Cb -0.00 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.13 1nww s VAL 83 CO 0.01 0.14 -0.14 -0.70 0.00 0.00 0.00 175.10 174.41 1nww s GLU 84 N 1.08 2.15 -0.34 2.72 2.12 -0.32 -5.00 118.70 121.12 1nww s GLU 84 Ca -0.09 -0.53 -0.11 0.00 0.36 0.00 0.00 54.97 54.60 1nww s GLU 84 Cb -0.13 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.38 1nww s GLU 84 CO -0.02 -0.11 0.20 0.99 -0.54 0.00 0.00 175.26 175.78 1nww s THR 85 N 1.13 4.82 0.01 -1.70 2.01 -1.26 -1.05 115.64 119.60 1nww s THR 85 Ca -0.04 -0.51 -0.18 0.00 0.31 0.00 0.00 61.69 61.27 1nww s THR 85 Cb -0.14 -3.54 -0.27 0.00 0.01 0.00 0.00 72.50 68.56 1nww s THR 85 CO -0.04 -0.07 1.07 -0.26 -0.69 0.00 0.00 174.62 174.63 1nww h PHE 86 N 8.43 0.75 -3.87 4.92 0.05 -1.13 -3.47 116.94 122.62 1nww h PHE 86 Ca -0.30 -0.45 -0.35 0.00 3.82 0.00 0.00 57.97 60.70 1nww h PHE 86 Cb 1.14 -0.07 -0.29 0.00 2.00 0.00 0.00 35.95 38.72 1nww h PHE 86 CO 0.62 1.29 -0.76 -1.01 -0.18 0.00 0.00 178.31 178.27 1nww s HIS 87 N -3.00 0.56 -0.00 -0.55 3.76 -1.09 -3.93 115.29 111.03 1nww s HIS 87 Ca -0.12 -0.11 0.00 0.00 -0.15 0.00 0.00 55.06 54.68 1nww s HIS 87 Cb 0.04 -0.39 0.00 0.00 1.11 0.00 0.00 32.58 33.34 1nww s HIS 87 CO 0.86 -0.03 0.00 -1.50 -0.85 0.00 0.00 174.74 173.22 1nww s ILE 88 N 0.02 0.00 0.34 0.60 2.07 -0.26 -0.91 121.20 123.06 1nww s ILE 88 Ca 0.00 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.11 1nww s ILE 88 Cb -0.04 -0.03 0.03 0.00 0.13 0.00 0.00 42.46 42.56 1nww s ILE 88 CO -0.00 0.01 0.71 -0.83 -1.91 0.00 0.00 174.94 172.92 1nww s GLY 89 N 0.14 0.40 -0.03 1.50 0.00 -0.77 -4.73 107.32 103.82 1nww s GLY 89 Ca -0.01 -0.74 -0.29 0.00 0.00 0.00 0.00 44.72 43.68 1nww s GLY 89 CO -0.00 -0.36 0.75 -1.35 0.00 0.00 0.00 173.10 172.13 1nww s SER 90 N -3.04 -0.56 -0.05 1.64 1.04 -1.26 -0.58 113.70 110.88 1nww s SER 90 Ca 0.17 0.46 -0.30 0.00 0.48 0.00 0.00 55.95 56.75 1nww s SER 90 Cb -0.04 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.64 1nww s SER 90 CO 0.11 -0.62 0.73 -0.44 0.98 0.00 0.00 173.24 173.99 1nww s SER 91 N -1.57 -0.61 -1.39 7.02 0.01 -0.09 -4.99 113.70 112.08 1nww s SER 91 Ca -0.06 0.62 -0.09 0.00 1.31 0.00 0.00 55.95 57.73 1nww s SER 91 Cb -0.00 0.51 0.06 0.00 0.21 0.00 0.00 66.02 66.79 1nww s SER 91 CO 0.02 -0.59 0.60 0.59 0.41 0.00 0.00 173.24 174.28 1nww n ASN 92 N 0.79 -4.46 0.00 2.44 3.02 -1.26 -0.83 115.26 114.96 1nww n ASN 92 Ca -0.17 -0.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 1nww n ASN 92 Cb 0.58 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 1nww n ASN 92 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nww n GLY 93 N -1.34 0.66 3.26 7.41 0.00 -1.26 -5.03 105.19 108.88 1nww n GLY 93 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1nww n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nww s LEU 94 N 0.00 2.09 -0.12 0.99 1.43 -0.01 -3.53 118.68 119.53 1nww s LEU 94 Ca 0.00 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.54 1nww s LEU 94 Cb 0.00 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 1nww s LEU 94 CO 0.00 0.23 0.03 -0.69 0.23 0.00 0.00 176.35 176.14 1nww s VAL 95 N -0.06 4.52 -0.03 -1.59 1.01 0.13 -0.91 120.40 123.48 1nww s VAL 95 Ca -0.07 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1nww s VAL 95 Cb -0.15 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1nww s VAL 95 CO 0.05 0.57 -0.22 -0.31 0.00 0.00 0.00 175.10 175.19 1nww s TYR 96 N -0.50 2.47 -0.07 5.22 1.51 0.25 -0.26 117.35 125.97 1nww s TYR 96 Ca 0.09 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.84 1nww s TYR 96 Cb -0.12 -1.55 0.02 0.00 -0.11 0.00 0.00 41.96 40.20 1nww s TYR 96 CO 0.02 0.05 -0.10 0.95 -1.11 0.00 0.00 175.55 175.36 1nww s THR 97 N -0.66 1.03 -0.27 -0.71 -4.23 -0.18 -1.84 115.64 108.79 1nww s THR 97 Ca 0.11 -0.40 -0.08 0.00 -1.18 0.00 0.00 61.69 60.14 1nww s THR 97 Cb -0.10 -0.97 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 1nww s THR 97 CO -0.00 0.34 0.11 -0.70 -0.54 0.00 0.00 174.62 173.82 1nww s GLU 98 N 0.86 3.66 0.21 3.99 2.12 -0.08 -1.12 118.70 128.34 1nww s GLU 98 Ca -0.11 -0.49 -0.05 0.00 0.36 0.00 0.00 54.97 54.69 1nww s GLU 98 Cb -0.15 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1nww s GLU 98 CO 0.01 -0.23 0.23 -0.98 -0.54 0.00 0.00 175.26 173.76 1nww s ARG 99 N 1.64 1.30 -0.08 4.30 1.70 0.14 -0.46 118.95 127.50 1nww s ARG 99 Ca 0.06 -1.51 0.04 0.00 -0.47 0.00 0.00 55.73 53.85 1nww s ARG 99 Cb -0.16 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.55 1nww s ARG 99 CO 0.06 -0.47 -0.21 0.08 -1.08 0.00 0.00 175.30 173.68 1nww s VAL 100 N -4.12 1.77 -0.14 4.99 1.01 -0.21 -1.24 120.40 122.46 1nww s VAL 100 Ca 0.34 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1nww s VAL 100 Cb 0.05 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1nww s VAL 100 CO 0.11 0.50 -0.10 -1.81 0.00 0.00 0.00 175.10 173.80 1nww s ASP 101 N 0.27 4.31 -0.35 3.32 1.11 -0.49 -1.17 116.67 123.67 1nww s ASP 101 Ca -0.13 -0.25 -0.21 0.00 0.18 0.00 0.00 52.55 52.14 1nww s ASP 101 Cb -0.16 -1.66 0.00 0.00 1.07 0.00 0.00 42.92 42.18 1nww s ASP 101 CO 0.06 0.17 0.69 -0.69 1.18 0.00 0.00 175.17 176.58 1nww s VAL 102 N 0.32 4.84 -0.15 -1.27 1.01 0.13 -0.86 120.40 124.42 1nww s VAL 102 Ca -0.08 0.75 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1nww s VAL 102 Cb -0.15 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 1nww s VAL 102 CO 0.05 -0.33 -0.07 -0.76 0.00 0.00 0.00 175.10 173.98 1nww s LEU 103 N 2.84 3.04 -0.16 3.92 1.43 -0.27 -0.45 118.68 129.03 1nww s LEU 103 Ca 0.27 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.18 1nww s LEU 103 Cb -0.14 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1nww s LEU 103 CO 0.15 0.16 -0.21 -0.60 0.23 0.00 0.00 176.35 176.09 1nww s ARG 104 N 0.38 3.03 -0.14 1.70 3.52 -0.11 -0.79 118.95 126.54 1nww s ARG 104 Ca -0.07 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.40 1nww s ARG 104 Cb -0.15 -2.50 -0.01 0.00 -1.56 0.00 0.00 34.95 30.72 1nww s ARG 104 CO 0.04 -0.08 1.16 0.00 -0.81 0.00 0.00 175.30 175.62 1nww s ALA 105 N 0.97 3.58 0.23 6.12 0.00 -0.04 -0.58 121.76 132.04 1nww s ALA 105 Ca -0.03 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 1nww s ALA 105 Cb -0.15 -3.55 0.22 0.00 0.00 0.00 0.00 23.12 19.64 1nww s ALA 105 CO -0.05 -0.94 1.71 -0.07 0.00 0.00 0.00 175.76 176.41 1nww h LEU 106 N 8.95 0.90 -1.52 0.00 3.38 -1.16 -0.26 115.31 125.60 1nww h LEU 106 Ca -0.28 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 1nww h LEU 106 Cb 1.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1nww h LEU 106 CO 0.93 0.95 -0.21 -0.65 0.09 0.00 0.00 178.44 179.55 1nww h PRO 107 N 0.87 0.00 0.00 1.13 0.11 -1.92 -3.35 132.00 128.85 1nww h PRO 107 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1nww h PRO 107 Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1nww h PRO 107 CO 0.02 0.21 -0.82 0.25 -0.21 0.00 0.00 178.00 177.44 1nww n THR 108 N -3.63 0.00 -0.66 -1.15 -2.24 -1.17 -5.01 114.28 100.43 1nww n THR 108 Ca -0.01 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1nww n THR 108 Cb 0.34 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.17 1nww n THR 108 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nww n GLY 109 N 1.99 1.45 3.83 3.38 0.00 -0.12 -5.01 105.19 110.71 1nww n GLY 109 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1nww n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nww s LYS 110 N -0.07 4.17 0.24 1.61 1.02 -1.25 -4.81 119.74 120.63 1nww s LYS 110 Ca 0.00 0.83 0.10 0.00 0.02 0.00 0.00 55.97 56.91 1nww s LYS 110 Cb 0.00 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.62 1nww s LYS 110 CO 0.00 0.26 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.40 1nww s SER 111 N -1.94 3.00 -0.11 2.83 0.01 -1.26 -0.86 113.70 115.37 1nww s SER 111 Ca 0.49 -1.02 -0.10 0.00 1.31 0.00 0.00 55.95 56.63 1nww s SER 111 Cb -0.14 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 65.92 1nww s SER 111 CO 0.19 -0.08 0.30 -0.47 0.41 0.00 0.00 173.24 173.59 1nww s TYR 112 N -2.76 -0.34 -0.55 2.43 5.04 0.03 -4.78 117.35 116.42 1nww s TYR 112 Ca 0.26 0.82 -0.21 0.00 -2.44 0.00 0.00 57.07 55.50 1nww s TYR 112 Cb -0.03 0.11 0.06 0.00 0.35 0.00 0.00 41.96 42.46 1nww s TYR 112 CO 0.10 -0.17 0.79 -0.80 -1.34 0.00 0.00 175.55 174.13 1nww s ASN 113 N 0.25 6.26 -0.25 4.32 -0.87 -1.26 -1.11 114.94 122.28 1nww s ASN 113 Ca -0.01 -0.76 -0.14 0.00 -1.57 0.00 0.00 52.86 50.39 1nww s ASN 113 Cb -0.03 -2.36 -0.04 0.00 -0.02 0.00 0.00 41.25 38.80 1nww s ASN 113 CO -0.00 -1.10 0.32 -0.22 -2.57 0.00 0.00 177.10 173.53 1nww s LEU 114 N 3.28 4.08 -0.14 0.60 2.96 -0.04 -4.93 118.68 124.49 1nww s LEU 114 Ca 0.21 0.27 -0.28 0.00 -0.22 0.00 0.00 54.13 54.11 1nww s LEU 114 Cb -0.17 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 1nww s LEU 114 CO 0.14 -0.10 0.94 -0.44 -1.32 0.00 0.00 176.35 175.57 1nww s SER 115 N 1.41 7.12 0.01 3.68 0.01 -1.26 -1.40 113.70 123.27 1nww s SER 115 Ca 0.13 1.38 0.03 0.00 1.31 0.00 0.00 55.95 58.80 1nww s SER 115 Cb -0.15 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 1nww s SER 115 CO 0.09 -0.43 -0.10 -0.63 0.41 0.00 0.00 173.24 172.57 1nww s ILE 116 N 2.11 0.76 -0.14 1.44 1.01 -0.37 -4.62 121.20 121.38 1nww s ILE 116 Ca 0.44 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1nww s ILE 116 Cb -0.17 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1nww s ILE 116 CO 0.15 0.11 -0.21 -0.22 0.00 0.00 0.00 174.94 174.77 1nww s LEU 117 N -0.49 2.13 0.16 2.97 2.96 -0.84 -0.69 118.68 124.88 1nww s LEU 117 Ca 0.02 -0.60 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 1nww s LEU 117 Cb -0.05 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 1nww s LEU 117 CO -0.00 0.08 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.13 1nww s GLY 118 N 0.85 1.25 -0.01 7.98 0.00 -0.27 -0.82 107.32 116.29 1nww s GLY 118 Ca -0.06 -1.49 0.04 0.00 0.00 0.00 0.00 44.72 43.21 1nww s GLY 118 CO -0.03 -1.56 -0.14 0.54 0.00 0.00 0.00 173.10 171.91 1nww s VAL 119 N -2.60 1.12 -0.03 1.40 0.11 -0.21 -1.01 120.40 119.18 1nww s VAL 119 Ca 0.16 -0.60 0.02 0.00 -2.93 0.00 0.00 61.98 58.63 1nww s VAL 119 Cb -0.02 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.89 1nww s VAL 119 CO 0.05 0.32 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.68 1nww s PHE 120 N -0.30 1.01 -0.19 1.54 0.40 0.64 -1.14 117.98 119.94 1nww s PHE 120 Ca 0.05 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.08 1nww s PHE 120 Cb -0.06 -0.72 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 1nww s PHE 120 CO -0.00 -0.12 -0.05 -1.14 0.70 0.00 0.00 175.22 174.61 1nww s GLN 121 N 0.25 3.46 -0.09 0.44 0.74 -0.01 -0.69 119.66 123.76 1nww s GLN 121 Ca -0.04 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 54.78 1nww s GLN 121 Cb -0.09 -2.93 -0.02 0.00 1.10 0.00 0.00 33.01 31.06 1nww s GLN 121 CO 0.01 -0.02 -0.13 -0.51 -0.55 0.00 0.00 175.29 174.09 1nww s LEU 122 N 1.01 2.73 -0.19 3.68 1.02 -1.23 -0.29 118.68 125.42 1nww s LEU 122 Ca 0.00 -0.26 0.01 0.00 0.02 0.00 0.00 54.13 53.90 1nww s LEU 122 Cb -0.15 -1.59 0.03 0.00 0.02 0.00 0.00 46.19 44.51 1nww s LEU 122 CO 0.00 0.25 -0.16 -0.89 0.02 0.00 0.00 176.35 175.57 1nww s THR 123 N -0.17 1.90 -1.55 5.49 2.01 0.13 -4.73 115.64 118.71 1nww s THR 123 Ca -0.00 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 1nww s THR 123 Cb -0.13 -1.80 0.11 0.00 0.01 0.00 0.00 72.50 70.69 1nww s THR 123 CO 0.03 0.40 0.80 -0.62 -0.69 0.00 0.00 174.62 174.54 1nww n GLU 124 N 4.64 -4.08 -0.93 4.92 1.02 -1.26 -1.65 120.64 123.31 1nww n GLU 124 Ca -0.18 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 1nww n GLU 124 Cb 0.49 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 1nww n GLU 124 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nww n GLY 125 N -1.45 0.75 3.48 0.62 0.00 -1.26 -5.03 105.19 102.30 1nww n GLY 125 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1nww n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nww s LYS 126 N -0.07 1.97 -0.18 1.61 -0.14 -0.66 -5.00 119.74 117.27 1nww s LYS 126 Ca 0.00 -1.06 -0.29 0.00 -1.36 0.00 0.00 55.97 53.26 1nww s LYS 126 Cb 0.00 -2.17 -0.01 0.00 -1.68 0.00 0.00 37.83 33.97 1nww s LYS 126 CO 0.00 0.51 1.17 0.42 -0.76 0.00 0.00 175.35 176.69 1nww s ILE 127 N -1.04 4.45 -0.59 2.17 1.01 0.29 -0.69 121.20 126.79 1nww s ILE 127 Ca 0.17 1.75 0.18 0.00 0.00 0.00 0.00 60.65 62.74 1nww s ILE 127 Cb -0.11 -4.13 -0.22 0.00 0.01 0.00 0.00 42.46 38.01 1nww s ILE 127 CO 0.08 -0.14 0.65 0.35 0.00 0.00 0.00 174.94 175.87 1nww n THR 128 N 5.30 0.00 -3.61 2.92 -2.24 0.61 -1.54 114.28 115.72 1nww n THR 128 Ca 0.13 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1nww n THR 128 Cb 0.45 0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 69.34 1nww n THR 128 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1nww s GLY 129 N -3.11 -0.48 -0.16 3.38 0.00 -1.08 -2.55 107.32 103.32 1nww s GLY 129 Ca 0.03 1.98 -0.04 0.00 0.00 0.00 0.00 44.72 46.68 1nww s GLY 129 CO 0.74 1.57 0.27 0.86 0.00 0.00 0.00 173.10 176.54 1nww s TRP 130 N -0.02 -0.44 -0.10 1.90 -0.00 -0.61 -0.83 118.94 118.83 1nww s TRP 130 Ca -0.02 0.79 0.01 0.00 -0.00 0.00 0.00 56.10 56.88 1nww s TRP 130 Cb -0.04 -0.10 0.02 0.00 -0.00 0.00 0.00 33.47 33.35 1nww s TRP 130 CO 0.02 -0.46 -0.11 1.03 -0.00 0.00 0.00 176.95 177.43 1nww s ARG 131 N 2.42 1.83 -0.15 5.86 0.52 -0.29 -0.90 118.95 128.23 1nww s ARG 131 Ca 0.04 -0.40 -0.04 0.00 -0.52 0.00 0.00 55.73 54.81 1nww s ARG 131 Cb -0.13 -1.68 -0.03 0.00 0.52 0.00 0.00 34.95 33.63 1nww s ARG 131 CO -0.10 -0.14 -0.04 -0.51 0.02 0.00 0.00 175.30 174.53 1nww s ASP 132 N 1.25 4.82 -0.15 0.23 1.01 -0.42 -1.05 116.67 122.36 1nww s ASP 132 Ca -0.03 -0.11 -0.04 0.00 0.71 0.00 0.00 52.55 53.09 1nww s ASP 132 Cb -0.14 -1.76 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 1nww s ASP 132 CO -0.04 0.18 -0.04 -0.31 0.21 0.00 0.00 175.17 175.17 1nww s TYR 133 N 0.28 3.02 0.09 4.23 1.51 0.00 -0.85 117.35 125.63 1nww s TYR 133 Ca -0.03 -0.30 -0.26 0.00 -1.01 0.00 0.00 57.07 55.46 1nww s TYR 133 Cb -0.14 -1.95 0.09 0.00 -0.11 0.00 0.00 41.96 39.85 1nww s TYR 133 CO 0.03 -0.04 1.12 -0.59 -1.11 0.00 0.00 175.55 174.96 1nww s PHE 134 N 0.35 -0.03 -0.23 2.71 -0.12 -1.26 -1.99 117.98 117.41 1nww s PHE 134 Ca -0.04 -0.21 -0.15 0.00 -0.05 0.00 0.00 56.93 56.47 1nww s PHE 134 Cb -0.14 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 1nww s PHE 134 CO 0.03 -0.62 0.38 0.34 -0.05 0.00 0.00 175.22 175.31 1nww s ASP 135 N -3.17 6.37 -0.00 1.98 2.15 -1.26 -4.65 116.67 118.09 1nww s ASP 135 Ca 0.17 0.43 -0.12 0.00 0.43 0.00 0.00 52.55 53.47 1nww s ASP 135 Cb 0.00 -2.22 -0.33 0.00 -0.30 0.00 0.00 42.92 40.08 1nww s ASP 135 CO 0.01 -0.11 0.86 0.25 -0.17 0.00 0.00 175.17 176.01 1nww h LEU 136 N 7.96 0.69 -0.54 -1.34 5.85 -2.00 -3.37 115.31 122.55 1nww h LEU 136 Ca -0.34 -0.85 -0.03 0.00 0.84 0.00 0.00 57.88 57.50 1nww h LEU 136 Cb 1.16 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1nww h LEU 136 CO 0.69 1.70 0.24 -0.09 -0.34 0.00 0.00 178.44 180.64 1nww h ARG 137 N 0.12 0.79 -0.84 1.25 2.43 -1.99 -1.23 114.38 114.92 1nww h ARG 137 Ca -0.28 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1nww h ARG 137 Cb 2.12 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 31.49 1nww h ARG 137 CO 0.22 0.67 0.40 0.93 -1.51 0.00 0.00 179.97 180.68 1nww h GLU 138 N 0.73 1.21 0.24 0.20 5.08 -2.00 -0.69 114.58 119.35 1nww h GLU 138 Ca 0.18 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1nww h GLU 138 Cb 0.16 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1nww h GLU 138 CO -0.02 0.93 -0.14 0.35 -1.00 0.00 0.00 179.01 179.13 1nww h PHE 139 N 1.20 -0.36 -0.69 4.33 3.57 -1.65 -1.72 116.94 121.62 1nww h PHE 139 Ca 0.29 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.86 1nww h PHE 139 Cb 0.13 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 1nww h PHE 139 CO 0.02 -0.22 0.35 0.93 -2.23 0.00 0.00 178.31 177.16 1nww h GLU 140 N -0.36 0.60 -0.48 1.11 5.08 -0.82 -2.07 114.58 117.65 1nww h GLU 140 Ca -0.03 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1nww h GLU 140 Cb 0.29 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1nww h GLU 140 CO 0.03 0.40 -0.09 0.93 -1.00 0.00 0.00 179.01 179.28 1nww h GLU 141 N 0.62 0.85 -0.11 2.33 5.08 -1.06 -0.83 114.58 121.46 1nww h GLU 141 Ca 0.33 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.29 1nww h GLU 141 Cb 0.31 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1nww h GLU 141 CO -0.24 0.91 -0.44 0.00 -1.00 0.00 0.00 179.01 178.23 1nww h ALA 142 N 1.13 1.04 -0.02 3.43 0.00 -0.66 -3.30 119.26 120.88 1nww h ALA 142 Ca 0.13 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1nww h ALA 142 Cb 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1nww h ALA 142 CO 0.04 0.62 -0.10 1.33 0.00 0.00 0.00 179.25 181.14 1nww n VAL 143 N -4.00 0.00 -3.21 0.00 0.24 -0.84 -4.74 118.33 105.77 1nww n VAL 143 Ca -0.02 -0.45 -0.16 0.00 -2.04 0.00 0.00 64.34 61.68 1nww n VAL 143 Cb 0.51 1.26 0.06 0.00 -1.47 0.00 0.00 33.84 34.19 1nww n VAL 143 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nww n ASP 144 N 0.48 -4.39 -3.68 -1.34 8.00 -0.34 -4.69 116.55 110.60 1nww n ASP 144 Ca 0.08 -0.39 -0.20 0.00 0.71 0.00 0.00 54.79 54.98 1nww n ASP 144 Cb 0.34 -3.72 -0.18 0.00 -0.02 0.00 0.00 41.12 37.54 1nww n ASP 144 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nww s LEU 145 N -5.37 0.18 -0.53 0.64 2.96 -1.10 -4.95 118.68 110.51 1nww s LEU 145 Ca 0.32 0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 54.03 1nww s LEU 145 Cb -0.14 -0.12 0.02 0.00 0.50 0.00 0.00 46.19 46.44 1nww s LEU 145 CO 0.52 -0.24 1.35 -2.16 -1.32 0.00 0.00 176.35 174.49 1nww s PRO 146 N 2.11 3.44 0.00 0.98 0.04 -1.26 -4.57 135.00 135.74 1nww s PRO 146 Ca 0.04 0.53 0.23 0.00 0.04 0.00 0.00 61.00 61.84 1nww s PRO 146 Cb -0.12 -4.06 0.99 0.00 0.04 0.00 0.00 34.50 31.35 1nww s PRO 146 CO -0.03 -1.76 1.69 1.28 0.04 0.00 0.00 177.00 178.22 1nww n LEU 147 N 9.04 1.18 -0.89 -3.56 4.77 -1.26 -2.40 117.00 123.88 1nww n LEU 147 Ca 0.12 -0.46 0.10 0.00 -0.03 0.00 0.00 56.01 55.74 1nww n LEU 147 Cb 0.49 -0.05 0.27 0.00 -2.33 0.00 0.00 43.42 41.80 1nww n LEU 147 CO 0.71 0.23 0.72 0.54 -1.33 0.00 0.00 177.39 178.26 1nww n ARG 148 N -0.03 2.15 0.00 3.23 1.74 -1.26 -5.09 116.66 117.40 1nww n ARG 148 Ca 0.17 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 1nww n ARG 148 Cb 0.27 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1nww n ARG 148 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52