#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd s ASP 2 N 0.00 5.98 -0.38 0.00 1.01 -1.26 -5.04 116.67 116.98 1nwd s ASP 2 Ca 0.00 1.99 -0.00 0.00 0.71 0.00 0.00 52.55 55.25 1nwd s ASP 2 Cb 0.00 -2.56 0.10 0.00 1.01 0.00 0.00 42.92 41.47 1nwd s ASP 2 CO 0.00 -1.03 0.14 -1.58 0.21 0.00 0.00 175.17 172.90 1nwd s GLN 3 N -3.45 1.84 0.32 8.23 0.74 -1.26 -5.10 119.66 120.98 1nwd s GLN 3 Ca 0.68 -1.81 -0.29 0.00 0.05 0.00 0.00 55.36 53.99 1nwd s GLN 3 Cb -0.19 -3.42 -0.11 0.00 1.10 0.00 0.00 33.01 30.39 1nwd s GLN 3 CO 0.26 -1.00 1.46 -0.48 -0.55 0.00 0.00 175.29 174.98 1nwd s LEU 4 N 1.06 4.37 0.01 3.68 0.05 -1.26 -5.03 118.68 121.55 1nwd s LEU 4 Ca 0.08 2.85 0.00 0.00 0.05 0.00 0.00 54.13 57.12 1nwd s LEU 4 Cb -0.21 -3.65 -0.01 0.00 -2.05 0.00 0.00 46.19 40.27 1nwd s LEU 4 CO -0.05 -0.76 -0.02 -0.89 -0.55 0.00 0.00 176.35 174.07 1nwd s THR 5 N -0.60 0.13 -0.56 5.48 2.01 -1.26 -5.08 115.64 115.76 1nwd s THR 5 Ca 0.56 -0.41 0.26 0.00 0.31 0.00 0.00 61.69 62.41 1nwd s THR 5 Cb -0.44 -0.18 0.30 0.00 0.01 0.00 0.00 72.50 72.19 1nwd s THR 5 CO 0.52 -0.18 1.74 -0.33 -0.69 0.00 0.00 174.62 175.69 1nwd h GLU 6 N 5.52 0.00 -0.60 4.92 3.07 -2.02 -3.35 114.58 122.11 1nwd h GLU 6 Ca -0.28 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.50 1nwd h GLU 6 Cb 1.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 1nwd h GLU 6 CO 0.47 0.00 0.07 0.93 -1.40 0.00 0.00 179.01 179.07 1nwd h GLU 7 N 0.00 1.02 -0.03 2.33 5.08 -1.99 -2.70 114.58 118.30 1nwd h GLU 7 Ca 0.00 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1nwd h GLU 7 Cb 0.73 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1nwd h GLU 7 CO 0.00 0.97 -0.03 0.37 -1.00 0.00 0.00 179.01 179.33 1nwd h GLN 8 N 0.92 0.06 -0.81 2.33 4.15 -2.00 -0.72 115.11 119.05 1nwd h GLN 8 Ca 0.18 -0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.70 1nwd h GLN 8 Cb 0.47 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.10 1nwd h GLN 8 CO 0.02 0.55 0.53 -0.84 -1.93 0.00 0.00 178.83 177.15 1nwd h ILE 9 N -0.42 0.85 -0.38 2.39 3.07 -1.78 -1.59 117.51 119.66 1nwd h ILE 9 Ca 0.00 -0.20 -0.12 0.00 1.55 0.00 0.00 64.86 66.09 1nwd h ILE 9 Cb 0.54 0.21 -0.01 0.00 -0.27 0.00 0.00 36.82 37.28 1nwd h ILE 9 CO 0.01 0.11 -0.24 0.00 -1.05 0.00 0.00 178.15 176.97 1nwd h ALA 10 N 1.62 0.54 0.00 0.16 0.00 -1.38 -2.95 119.26 117.25 1nwd h ALA 10 Ca 0.39 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1nwd h ALA 10 Cb 0.69 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1nwd h ALA 10 CO -0.15 0.53 -0.45 1.49 0.00 0.00 0.00 179.25 180.67 1nwd h GLU 11 N 0.63 -0.58 -0.66 0.00 4.81 -0.14 -1.93 114.58 116.70 1nwd h GLU 11 Ca 0.08 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1nwd h GLU 11 Cb 0.81 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 1nwd h GLU 11 CO 0.07 -0.39 0.40 0.74 -0.73 0.00 0.00 179.01 179.10 1nwd h PHE 12 N -0.60 0.87 0.61 0.92 -1.00 -1.51 -0.48 116.94 115.75 1nwd h PHE 12 Ca 0.04 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1nwd h PHE 12 Cb 0.67 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1nwd h PHE 12 CO -0.44 0.59 -0.49 0.87 -1.61 0.00 0.00 178.31 177.22 1nwd h LYS 13 N 0.90 -1.03 -0.71 1.51 1.57 -1.42 -2.72 116.57 114.67 1nwd h LYS 13 Ca 0.24 0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.16 1nwd h LYS 13 Cb -0.03 0.23 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1nwd h LYS 13 CO -0.05 -0.68 0.38 0.93 -0.57 0.00 0.00 179.45 179.46 1nwd h GLU 14 N -1.07 0.65 -0.35 3.15 3.07 -1.21 -1.39 114.58 117.43 1nwd h GLU 14 Ca -0.08 -0.04 0.07 0.00 -0.50 0.00 0.00 59.36 58.82 1nwd h GLU 14 Cb 0.90 -0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 28.59 1nwd h GLU 14 CO 0.00 0.43 -0.14 0.00 -1.40 0.00 0.00 179.01 177.90 1nwd h ALA 15 N 1.40 0.14 -0.14 3.43 0.00 -1.03 -1.90 119.26 121.15 1nwd h ALA 15 Ca 0.33 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1nwd h ALA 15 Cb 0.28 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1nwd h ALA 15 CO -0.23 -0.52 0.07 0.35 0.00 0.00 0.00 179.25 178.92 1nwd h PHE 16 N -0.08 0.21 -0.50 0.00 3.57 -1.16 -3.27 116.94 115.71 1nwd h PHE 16 Ca 0.17 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.73 1nwd h PHE 16 Cb 0.34 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1nwd h PHE 16 CO -0.36 0.26 0.34 0.77 -2.23 0.00 0.00 178.31 177.08 1nwd h SER 17 N 0.10 0.38 -0.84 0.41 0.02 -0.73 -1.69 113.55 111.20 1nwd h SER 17 Ca 0.05 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 1nwd h SER 17 Cb 0.13 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 1nwd h SER 17 CO -0.01 0.25 0.53 -0.07 -1.14 0.00 0.00 176.83 176.39 1nwd h LEU 18 N 0.43 0.86 0.31 5.07 3.38 -1.41 -2.81 115.31 121.13 1nwd h LEU 18 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1nwd h LEU 18 Cb 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1nwd h LEU 18 CO -0.06 0.58 -0.15 -0.26 0.09 0.00 0.00 178.44 178.64 1nwd h PHE 19 N 1.01 -0.38 -0.26 1.13 -1.00 -1.56 -3.38 116.94 112.50 1nwd h PHE 19 Ca 0.35 -0.01 -0.72 0.00 2.81 0.00 0.00 57.97 60.40 1nwd h PHE 19 Cb 0.07 0.13 -0.06 0.00 3.61 0.00 0.00 35.95 39.70 1nwd h PHE 19 CO -0.03 -0.03 2.93 -0.25 -1.61 0.00 0.00 178.31 179.32 1nwd n ASP 20 N -5.08 4.12 -0.21 2.17 9.92 -0.69 -4.75 116.55 122.03 1nwd n ASP 20 Ca -0.09 -2.89 -0.01 0.00 -0.53 0.00 0.00 54.79 51.27 1nwd n ASP 20 Cb 0.27 -1.62 0.10 0.00 -0.64 0.00 0.00 41.12 39.22 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1nwd h LYS 21 N 5.94 0.51 -0.46 -1.24 1.79 -1.72 -2.70 116.57 118.68 1nwd h LYS 21 Ca 0.54 -0.03 0.08 0.00 -2.18 0.00 0.00 60.65 59.06 1nwd h LYS 21 Cb 0.64 -0.11 -0.07 0.00 -1.58 0.00 0.00 32.23 31.10 1nwd h LYS 21 CO 1.84 0.34 0.07 -0.44 -1.08 0.00 0.00 179.45 180.17 1nwd h ASP 22 N 0.52 -0.05 0.00 0.86 5.19 -1.89 -3.48 116.42 117.58 1nwd h ASP 22 Ca 0.30 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 1nwd h ASP 22 Cb 0.30 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1nwd h ASP 22 CO -0.25 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.49 1nwd n GLY 23 N -1.28 2.37 0.40 2.75 0.00 -1.02 -4.94 105.19 103.47 1nwd n GLY 23 Ca 0.05 -0.40 0.23 0.00 0.00 0.00 0.00 46.02 45.89 1nwd n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nwd h ASP 24 N 0.86 0.48 -1.14 1.61 3.04 -1.92 -3.47 116.42 115.88 1nwd h ASP 24 Ca 0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1nwd h ASP 24 Cb 0.00 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1nwd h ASP 24 CO 0.00 0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 1nwd n GLY 25 N -1.44 0.68 2.76 7.15 0.00 -1.26 -5.03 105.19 108.05 1nwd n GLY 25 Ca 0.27 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 1nwd n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 26 N -2.38 -0.39 -0.14 2.61 -4.23 -1.26 -4.25 115.64 105.60 1nwd s THR 26 Ca 0.00 -0.45 -0.29 0.00 -1.18 0.00 0.00 61.69 59.77 1nwd s THR 26 Cb 0.00 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.88 1nwd s THR 26 CO 0.00 -0.44 1.02 -0.63 -0.54 0.00 0.00 174.62 174.03 1nwd s ILE 27 N 2.36 4.75 0.28 2.99 1.01 -0.39 -4.80 121.20 127.39 1nwd s ILE 27 Ca 0.09 2.03 -0.00 0.00 0.00 0.00 0.00 60.65 62.77 1nwd s ILE 27 Cb -0.14 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.00 1nwd s ILE 27 CO -0.31 -0.04 0.29 0.28 0.00 0.00 0.00 174.94 175.16 1nwd s THR 28 N 2.33 0.00 0.30 2.92 -1.32 -1.26 -0.69 115.64 117.92 1nwd s THR 28 Ca 0.47 -1.84 -0.00 0.00 -1.21 0.00 0.00 61.69 59.11 1nwd s THR 28 Cb -0.17 -2.49 0.28 0.00 -1.51 0.00 0.00 72.50 68.60 1nwd s THR 28 CO 0.15 0.00 1.93 0.71 -2.21 0.00 0.00 174.62 175.19 1nwd h THR 29 N 2.32 1.11 -0.40 5.08 1.35 -1.87 -1.74 112.91 118.76 1nwd h THR 29 Ca -0.30 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1nwd h THR 29 Cb 1.24 -0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 1nwd h THR 29 CO 0.43 0.19 0.23 0.50 -0.25 0.00 0.00 175.52 176.62 1nwd h LYS 30 N 1.06 0.56 0.50 4.72 1.63 -1.97 -1.53 116.57 121.54 1nwd h LYS 30 Ca 0.37 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.09 1nwd h LYS 30 Cb 0.11 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1nwd h LYS 30 CO -0.12 0.44 -0.31 1.49 -3.45 0.00 0.00 179.45 177.50 1nwd h GLU 31 N 0.52 -0.74 -0.98 1.90 4.57 -1.71 -1.18 114.58 116.96 1nwd h GLU 31 Ca 0.14 0.05 0.15 0.00 -1.18 0.00 0.00 59.36 58.52 1nwd h GLU 31 Cb 0.04 0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 28.70 1nwd h GLU 31 CO -0.02 -0.49 0.60 -0.07 -1.18 0.00 0.00 179.01 177.84 1nwd h LEU 32 N -0.77 0.82 0.30 1.64 -0.00 -1.44 -1.87 115.31 113.99 1nwd h LEU 32 Ca -0.06 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1nwd h LEU 32 Cb 0.62 -0.08 -0.03 0.00 -0.00 0.00 0.00 40.66 41.17 1nwd h LEU 32 CO 0.06 0.37 -0.45 1.23 -0.00 0.00 0.00 178.44 179.65 1nwd h GLY 33 N 0.85 -1.03 1.00 0.83 0.00 -0.77 -2.54 103.07 101.42 1nwd h GLY 33 Ca 0.52 0.54 0.00 0.00 0.00 0.00 0.00 47.33 48.39 1nwd h GLY 33 CO -0.32 -0.31 0.25 -0.84 0.00 0.00 0.00 176.54 175.31 1nwd h THR 34 N -0.81 1.10 -0.04 4.70 2.02 -0.80 -1.02 112.91 118.05 1nwd h THR 34 Ca -0.02 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 66.99 1nwd h THR 34 Cb 0.76 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1nwd h THR 34 CO -0.15 0.10 -0.12 0.58 0.37 0.00 0.00 175.52 176.29 1nwd h VAL 35 N 0.51 0.68 -0.36 3.16 2.07 -1.36 -0.61 116.25 120.34 1nwd h VAL 35 Ca 0.14 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1nwd h VAL 35 Cb -0.05 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1nwd h VAL 35 CO -0.03 0.00 0.10 0.24 0.02 0.00 0.00 177.57 177.90 1nwd h MET 36 N -0.19 0.22 0.25 1.57 2.86 -1.34 -3.02 114.93 115.29 1nwd h MET 36 Ca 0.06 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1nwd h MET 36 Cb 0.27 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 1nwd h MET 36 CO -0.15 0.15 -0.40 -0.09 1.06 0.00 0.00 176.91 177.48 1nwd h ARG 37 N 0.23 -0.69 -0.53 1.72 1.12 -0.55 -0.75 114.38 114.93 1nwd h ARG 37 Ca 0.17 0.05 0.07 0.00 -1.11 0.00 0.00 59.98 59.16 1nwd h ARG 37 Cb 0.17 0.16 -0.10 0.00 -0.01 0.00 0.00 29.97 30.19 1nwd h ARG 37 CO -0.20 -0.46 -0.49 0.77 -3.11 0.00 0.00 179.97 176.48 1nwd h SER 38 N -0.72 -1.66 0.00 -3.80 0.02 -1.11 -3.04 113.55 103.24 1nwd h SER 38 Ca -0.00 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1nwd h SER 38 Cb 0.69 0.72 0.00 0.00 0.14 0.00 0.00 62.40 63.95 1nwd h SER 38 CO -0.15 -0.36 0.00 0.18 -1.14 0.00 0.00 176.83 175.36 1nwd n LEU 39 N -5.39 0.00 0.00 5.07 4.77 -1.14 -4.94 117.00 115.37 1nwd n LEU 39 Ca -0.00 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 1nwd n LEU 39 Cb 0.34 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1nwd n LEU 39 CO -0.01 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1nwd n GLY 40 N -0.95 -0.94 3.15 -0.72 0.00 -0.56 -5.13 105.19 100.04 1nwd n GLY 40 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.19 1nwd n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 41 N 0.00 0.49 -0.47 1.61 -0.21 -0.40 -5.00 119.66 115.68 1nwd s GLN 41 Ca 0.00 -0.15 0.04 0.00 0.02 0.00 0.00 55.36 55.27 1nwd s GLN 41 Cb 0.00 0.21 0.12 0.00 1.00 0.00 0.00 33.01 34.34 1nwd s GLN 41 CO 0.00 -0.11 0.20 1.21 -2.12 0.00 0.00 175.29 174.46 1nwd s ASN 42 N -0.98 4.42 1.15 5.90 3.84 -1.26 -2.00 114.94 126.02 1nwd s ASN 42 Ca -0.11 -2.76 -0.13 0.00 0.21 0.00 0.00 52.86 50.07 1nwd s ASN 42 Cb -0.05 -1.62 0.27 0.00 -0.55 0.00 0.00 41.25 39.29 1nwd s ASN 42 CO 0.02 -0.27 0.96 -2.65 -2.79 0.00 0.00 177.10 172.36 1nwd n PRO 43 N 3.44 -2.26 -3.49 0.43 -0.02 -1.26 -5.03 135.00 126.82 1nwd n PRO 43 Ca 0.05 -0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 60.50 1nwd n PRO 43 Cb 0.35 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.58 1nwd n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nwd s THR 44 N -2.41 5.24 0.28 3.45 -4.23 -1.26 -5.01 115.64 111.70 1nwd s THR 44 Ca 0.68 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.23 1nwd s THR 44 Cb -0.24 -3.70 0.28 0.00 1.34 0.00 0.00 72.50 70.17 1nwd s THR 44 CO 0.65 0.04 1.85 -0.08 -0.54 0.00 0.00 174.62 176.54 1nwd h GLU 45 N 8.42 0.99 -0.09 3.99 4.57 -1.97 -2.70 114.58 127.79 1nwd h GLU 45 Ca -0.32 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1nwd h GLU 45 Cb 1.16 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 1nwd h GLU 45 CO 0.63 0.66 -0.02 0.00 -1.18 0.00 0.00 179.01 179.10 1nwd h ALA 46 N 1.52 0.06 -0.74 2.92 0.00 -2.01 -2.90 119.26 118.12 1nwd h ALA 46 Ca 0.48 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.43 1nwd h ALA 46 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1nwd h ALA 46 CO -0.24 -0.49 0.48 0.93 0.00 0.00 0.00 179.25 179.94 1nwd h GLU 47 N 0.00 0.98 -0.47 0.00 5.08 -1.92 -1.52 114.58 116.74 1nwd h GLU 47 Ca 0.05 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nwd h GLU 47 Cb 0.07 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1nwd h GLU 47 CO -0.10 0.66 0.25 -0.07 -1.00 0.00 0.00 179.01 178.75 1nwd h LEU 48 N 1.01 0.57 0.04 1.33 3.38 -1.45 -1.62 115.31 118.58 1nwd h LEU 48 Ca 0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1nwd h LEU 48 Cb -0.10 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1nwd h LEU 48 CO -0.06 0.48 -0.02 -0.61 0.09 0.00 0.00 178.44 178.32 1nwd h GLN 49 N 0.65 -0.05 -0.04 1.13 4.15 -1.19 -3.31 115.11 116.46 1nwd h GLN 49 Ca 0.17 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.63 1nwd h GLN 49 Cb 0.04 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 1nwd h GLN 49 CO -0.03 0.58 -0.34 -0.44 -1.93 0.00 0.00 178.83 176.67 1nwd h ASP 50 N -0.77 -1.04 -0.76 -0.69 3.32 -1.22 -2.41 116.42 112.85 1nwd h ASP 50 Ca -0.01 0.14 0.07 0.00 0.02 0.00 0.00 57.03 57.26 1nwd h ASP 50 Cb 0.66 0.42 -0.05 0.00 0.22 0.00 0.00 39.33 40.58 1nwd h ASP 50 CO 0.01 -0.39 0.50 0.00 -1.72 0.00 0.00 179.24 177.63 1nwd h MET 51 N -0.47 0.75 0.32 3.56 -0.00 -1.46 -1.68 114.93 115.95 1nwd h MET 51 Ca 0.07 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.71 1nwd h MET 51 Cb 0.58 -0.17 0.00 0.00 -0.00 0.00 0.00 31.60 32.01 1nwd h MET 51 CO -0.30 0.49 -0.16 0.82 -0.00 0.00 0.00 176.91 177.76 1nwd h ILE 52 N 0.77 0.66 0.00 -0.10 1.08 -1.58 -3.22 117.51 115.12 1nwd h ILE 52 Ca 0.34 -0.56 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1nwd h ILE 52 Cb 0.31 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1nwd h ILE 52 CO -0.12 0.11 0.00 0.78 -0.69 0.00 0.00 178.15 178.23 1nwd h ASN 53 N -0.77 0.00 0.09 1.72 4.21 -0.98 0.45 115.58 120.31 1nwd h ASN 53 Ca -0.04 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.46 1nwd h ASN 53 Cb 0.51 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1nwd h ASN 53 CO 0.07 0.00 -0.04 -0.33 -1.29 0.00 0.00 177.43 175.84 1nwd h GLU 54 N 0.00 -0.12 0.00 0.81 4.39 -1.36 -3.35 114.58 114.95 1nwd h GLU 54 Ca 0.00 0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.52 1nwd h GLU 54 Cb 0.20 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1nwd h GLU 54 CO 0.00 0.22 -0.89 0.28 -1.16 0.00 0.00 179.01 177.46 1nwd h VAL 55 N -0.47 1.53 -3.22 3.13 2.07 -1.37 -3.46 116.25 114.47 1nwd h VAL 55 Ca -0.01 -3.16 -0.65 0.00 0.82 0.00 0.00 66.70 63.70 1nwd h VAL 55 Cb 0.40 2.75 -0.15 0.00 -1.52 0.00 0.00 31.29 32.77 1nwd h VAL 55 CO 0.02 0.87 -0.59 -0.62 0.02 0.00 0.00 177.57 177.27 1nwd s ASP 56 N -6.66 5.46 -0.00 0.57 2.15 0.07 -2.54 116.67 115.73 1nwd s ASP 56 Ca 0.02 0.13 -0.09 0.00 0.43 0.00 0.00 52.55 53.04 1nwd s ASP 56 Cb 0.09 -1.76 -0.05 0.00 -0.30 0.00 0.00 42.92 40.91 1nwd s ASP 56 CO 0.80 0.29 0.71 0.00 -0.17 0.00 0.00 175.17 176.80 1nwd h ALA 57 N 5.86 -0.66 0.00 3.66 0.00 -1.88 -3.35 119.26 122.89 1nwd h ALA 57 Ca -0.44 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 1nwd h ALA 57 Cb 1.19 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1nwd h ALA 57 CO 0.61 -0.64 -0.15 0.38 0.00 0.00 0.00 179.25 179.45 1nwd h ASP 58 N -0.48 0.00 -5.54 0.00 3.04 -1.93 -3.47 116.42 108.03 1nwd h ASP 58 Ca -0.03 0.00 -0.32 0.00 -3.24 0.00 0.00 57.03 53.44 1nwd h ASP 58 Cb 0.24 0.00 0.17 0.00 -1.04 0.00 0.00 39.33 38.70 1nwd h ASP 58 CO 0.05 0.15 -0.75 0.61 -2.04 0.00 0.00 179.24 177.26 1nwd n GLY 59 N -0.86 -0.34 0.07 7.15 0.00 -1.26 -4.96 105.19 104.98 1nwd n GLY 59 Ca -0.02 0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1nwd n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nwd h ASN 60 N -1.84 -0.00 0.00 1.61 -0.26 -1.93 -3.48 115.58 109.67 1nwd h ASN 60 Ca -0.57 -0.73 0.00 0.00 -0.56 0.00 0.00 56.30 54.43 1nwd h ASN 60 Cb 1.33 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.59 1nwd h ASN 60 CO 0.48 0.86 0.00 0.61 -1.06 0.00 0.00 177.43 178.32 1nwd n GLY 61 N 1.61 3.55 3.68 2.83 0.00 -1.26 -5.09 105.19 110.51 1nwd n GLY 61 Ca -0.07 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1nwd n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 62 N 0.00 3.93 -0.36 2.61 -4.23 -1.26 -4.32 115.64 112.01 1nwd s THR 62 Ca 0.00 1.26 0.01 0.00 -1.18 0.00 0.00 61.69 61.77 1nwd s THR 62 Cb 0.00 -3.81 0.10 0.00 1.34 0.00 0.00 72.50 70.13 1nwd s THR 62 CO 0.00 -0.03 0.10 -0.63 -0.54 0.00 0.00 174.62 173.52 1nwd s ILE 63 N 2.63 2.75 0.24 2.99 -1.09 0.13 -4.94 121.20 123.92 1nwd s ILE 63 Ca 0.61 -2.08 -0.04 0.00 -2.23 0.00 0.00 60.65 56.91 1nwd s ILE 63 Cb -0.28 -2.89 0.06 0.00 -1.58 0.00 0.00 42.46 37.76 1nwd s ILE 63 CO 0.24 -0.55 0.28 -0.67 -1.23 0.00 0.00 174.94 173.00 1nwd n ASP 64 N 4.44 -0.47 -0.00 3.58 -0.08 -1.26 -1.27 116.55 121.49 1nwd n ASP 64 Ca -0.01 -0.93 -0.02 0.00 -1.51 0.00 0.00 54.79 52.32 1nwd n ASP 64 Cb 0.42 -0.22 -0.01 0.00 2.34 0.00 0.00 41.12 43.64 1nwd n ASP 64 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1nwd h PHE 65 N -1.40 -0.18 -1.00 -0.67 0.04 -1.97 -1.30 116.94 110.45 1nwd h PHE 65 Ca -0.09 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.74 1nwd h PHE 65 Cb 0.27 0.08 -0.07 0.00 2.20 0.00 0.00 35.95 38.44 1nwd h PHE 65 CO 0.00 -0.06 0.65 -1.00 -0.60 0.00 0.00 178.31 177.30 1nwd h PRO 66 N -0.06 1.16 -0.80 1.51 0.13 -1.98 -1.98 132.00 129.98 1nwd h PRO 66 Ca 0.00 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1nwd h PRO 66 Cb 0.07 -0.26 -0.04 0.00 0.13 0.00 0.00 31.00 30.91 1nwd h PRO 66 CO -0.05 0.77 0.43 0.93 -0.23 0.00 0.00 178.00 179.85 1nwd h GLU 67 N 1.19 1.12 0.13 0.86 5.08 -1.89 0.86 114.58 121.93 1nwd h GLU 67 Ca 0.42 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1nwd h GLU 67 Cb 0.13 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1nwd h GLU 67 CO -0.16 0.83 -0.06 0.35 -1.00 0.00 0.00 179.01 178.97 1nwd h PHE 68 N 1.11 -0.16 -0.72 4.33 3.57 -0.87 -1.97 116.94 122.22 1nwd h PHE 68 Ca 0.28 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.96 1nwd h PHE 68 Cb 0.04 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1nwd h PHE 68 CO 0.00 0.29 0.50 -0.07 -2.23 0.00 0.00 178.31 176.80 1nwd h LEU 69 N -0.71 0.19 0.15 0.59 4.07 -1.30 -1.14 115.31 117.16 1nwd h LEU 69 Ca -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1nwd h LEU 69 Cb 0.52 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1nwd h LEU 69 CO 0.03 0.09 -0.07 0.74 -1.08 0.00 0.00 178.44 178.15 1nwd h THR 70 N 0.19 0.00 -0.98 0.22 2.02 -0.83 -3.11 112.91 110.42 1nwd h THR 70 Ca 0.35 -0.02 0.31 0.00 0.77 0.00 0.00 66.41 67.82 1nwd h THR 70 Cb 1.11 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.34 1nwd h THR 70 CO -0.07 0.00 0.17 0.23 0.37 0.00 0.00 175.52 176.22 1nwd n MET 71 N -2.61 -0.07 0.27 6.66 2.81 -0.50 -0.36 117.12 123.32 1nwd n MET 71 Ca -0.03 1.44 -0.12 0.00 -1.81 0.00 0.00 57.70 57.19 1nwd n MET 71 Cb 0.08 -2.37 -0.06 0.00 -0.71 0.00 0.00 33.22 30.17 1nwd n MET 71 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1nwd h MET 72 N 0.00 -0.72 0.00 0.03 2.07 -1.52 -3.39 114.93 111.40 1nwd h MET 72 Ca 0.67 0.05 0.00 0.00 -2.07 0.00 0.00 59.70 58.35 1nwd h MET 72 Cb 1.52 0.16 0.00 0.00 -1.87 0.00 0.00 31.60 31.41 1nwd h MET 72 CO -0.88 -0.47 -0.37 0.00 1.07 0.00 0.00 176.91 176.26 1nwd n ALA 73 N -2.72 0.33 -0.03 6.32 0.00 -0.71 -4.82 120.51 118.88 1nwd n ALA 73 Ca -0.09 -0.39 -0.09 0.00 0.00 0.00 0.00 53.44 52.86 1nwd n ALA 73 Cb 0.30 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.68 1nwd n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwd h ARG 74 N -0.52 -0.06 -0.68 0.00 -0.00 -1.12 -3.47 114.38 108.53 1nwd h ARG 74 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1nwd h ARG 74 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.35 1nwd h ARG 74 CO 0.00 0.50 0.00 1.17 0.00 0.00 0.00 179.97 181.64 1nwd n LYS 75 N -4.75 0.00 -1.03 0.04 4.81 0.51 -3.96 118.16 113.78 1nwd n LYS 75 Ca -0.07 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 1nwd n LYS 75 Cb 0.29 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.34 1nwd n LYS 75 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1nwd n MET 76 N 0.58 -2.92 -2.46 1.64 2.81 -1.05 -4.79 117.12 110.92 1nwd n MET 76 Ca 0.00 2.16 -0.43 0.00 -1.81 0.00 0.00 57.70 57.62 1nwd n MET 76 Cb 0.00 -2.41 0.00 0.00 -0.71 0.00 0.00 33.22 30.10 1nwd n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1nwd n LYS 77 N -0.60 3.19 -2.45 0.03 4.81 -1.26 -4.86 118.16 117.02 1nwd n LYS 77 Ca 0.00 -3.27 -0.04 0.00 -0.87 0.00 0.00 58.31 54.13 1nwd n LYS 77 Cb 0.00 -3.33 -0.02 0.00 0.02 0.00 0.00 35.03 31.70 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nwd n ASP 78 N 7.08 -0.21 0.00 3.14 8.00 -1.26 -4.84 116.55 128.46 1nwd n ASP 78 Ca 0.47 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1nwd n ASP 78 Cb 0.43 0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 1nwd n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nwd n THR 79 N -0.15 0.00 -1.22 -3.53 -2.24 -1.26 -4.44 114.28 101.44 1nwd n THR 79 Ca 0.01 0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.65 1nwd n THR 79 Cb 0.14 -0.38 -0.08 0.00 -2.10 0.00 0.00 70.33 67.91 1nwd n THR 79 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nwd n ASP 80 N -0.15 7.49 -0.05 3.42 5.75 -1.26 -4.64 116.55 127.12 1nwd n ASP 80 Ca 0.00 -2.56 -0.15 0.00 -0.01 0.00 0.00 54.79 52.07 1nwd n ASP 80 Cb 0.00 -1.50 -0.06 0.00 -1.03 0.00 0.00 41.12 38.52 1nwd n ASP 80 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1nwd h SER 81 N 4.26 0.75 -0.88 -1.12 0.02 -1.86 -2.36 113.55 112.36 1nwd h SER 81 Ca 0.63 -0.57 0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1nwd h SER 81 Cb 0.72 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.99 1nwd h SER 81 CO 1.22 1.19 0.56 -0.33 -1.14 0.00 0.00 176.83 178.34 1nwd h GLU 82 N 0.35 1.02 -0.11 3.45 5.08 -1.82 -2.11 114.58 120.44 1nwd h GLU 82 Ca -0.01 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1nwd h GLU 82 Cb 1.10 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1nwd h GLU 82 CO 0.11 0.67 -0.18 0.93 -1.00 0.00 0.00 179.01 179.54 1nwd h GLU 83 N 1.05 0.18 0.53 2.33 5.08 -1.88 -2.47 114.58 119.39 1nwd h GLU 83 Ca 0.37 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1nwd h GLU 83 Cb 0.10 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1nwd h GLU 83 CO -0.15 0.36 -0.30 1.49 -1.00 0.00 0.00 179.01 179.41 1nwd h GLU 84 N 0.17 -0.75 -0.95 2.33 4.22 -0.84 -2.68 114.58 116.07 1nwd h GLU 84 Ca 0.03 0.05 0.18 0.00 0.08 0.00 0.00 59.36 59.70 1nwd h GLU 84 Cb 0.42 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.75 1nwd h GLU 84 CO 0.03 -0.50 0.60 0.82 -2.18 0.00 0.00 179.01 177.78 1nwd h ILE 85 N -0.78 0.75 -0.42 2.32 1.08 -1.36 -1.68 117.51 117.42 1nwd h ILE 85 Ca -0.06 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 64.16 1nwd h ILE 85 Cb 0.62 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 1nwd h ILE 85 CO 0.08 0.12 0.20 -0.09 -0.69 0.00 0.00 178.15 177.77 1nwd h ARG 86 N 0.68 0.58 0.05 2.37 9.65 -1.13 -0.88 114.38 125.71 1nwd h ARG 86 Ca 0.51 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.32 1nwd h ARG 86 Cb 0.89 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1nwd h ARG 86 CO -0.27 0.46 -0.03 0.93 2.80 0.00 0.00 179.97 183.87 1nwd h GLU 87 N 0.59 -0.07 -0.93 0.20 5.08 -1.04 -3.16 114.58 115.25 1nwd h GLU 87 Ca 0.15 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.66 1nwd h GLU 87 Cb 0.07 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.26 1nwd h GLU 87 CO -0.02 0.15 0.59 0.00 -1.00 0.00 0.00 179.01 178.73 1nwd h ALA 88 N 0.65 1.77 0.06 3.43 0.00 -1.01 -2.28 119.26 121.88 1nwd h ALA 88 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nwd h ALA 88 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1nwd h ALA 88 CO 0.01 -0.02 -0.12 0.74 0.00 0.00 0.00 179.25 179.86 1nwd h PHE 89 N 0.75 -0.34 0.00 0.00 0.04 -1.20 -3.15 116.94 113.04 1nwd h PHE 89 Ca 0.47 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.25 1nwd h PHE 89 Cb 0.70 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.00 1nwd h PHE 89 CO -0.00 -0.14 -0.00 0.07 -0.60 0.00 0.00 178.31 177.63 1nwd h ARG 90 N -0.19 0.00 0.15 1.51 0.11 -1.39 0.99 114.38 115.55 1nwd h ARG 90 Ca -0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1nwd h ARG 90 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1nwd h ARG 90 CO -0.05 0.00 -0.07 0.28 0.10 0.00 0.00 179.97 180.23 1nwd h VAL 91 N 0.00 0.99 -0.36 0.08 2.07 -1.47 -3.30 116.25 114.26 1nwd h VAL 91 Ca -0.00 -0.69 -0.16 0.00 0.82 0.00 0.00 66.70 66.68 1nwd h VAL 91 Cb 0.09 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1nwd h VAL 91 CO 0.00 0.16 -0.40 -0.26 0.02 0.00 0.00 177.57 177.09 1nwd h PHE 92 N -0.53 1.06 -3.62 1.57 -1.00 -1.27 -3.43 116.94 109.72 1nwd h PHE 92 Ca -0.02 -0.32 -0.69 0.00 2.81 0.00 0.00 57.97 59.75 1nwd h PHE 92 Cb 0.41 -0.22 -0.19 0.00 3.61 0.00 0.00 35.95 39.56 1nwd h PHE 92 CO 0.03 1.13 -0.38 -0.51 -1.61 0.00 0.00 178.31 176.97 1nwd s ASP 93 N -6.85 6.12 -0.26 2.17 1.11 0.26 -4.57 116.67 114.65 1nwd s ASP 93 Ca -0.10 -0.54 -0.05 0.00 0.18 0.00 0.00 52.55 52.03 1nwd s ASP 93 Cb 0.11 -2.17 -0.10 0.00 1.07 0.00 0.00 42.92 41.84 1nwd s ASP 93 CO 0.87 -0.37 3.17 0.29 1.18 0.00 0.00 175.17 180.32 1nwd n LYS 94 N 5.26 2.25 0.01 8.23 4.76 -1.26 -3.66 118.16 133.75 1nwd n LYS 94 Ca -0.11 -1.73 0.00 0.00 -2.87 0.00 0.00 58.31 53.61 1nwd n LYS 94 Cb 0.49 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 1nwd n LYS 94 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1nwd n ASP 95 N 1.68 -0.20 -2.02 4.39 5.75 -1.26 -5.10 116.55 119.78 1nwd n ASP 95 Ca 0.47 0.28 -0.05 0.00 -0.01 0.00 0.00 54.79 55.48 1nwd n ASP 95 Cb 0.72 0.44 0.02 0.00 -1.03 0.00 0.00 41.12 41.27 1nwd n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nwd n GLY 96 N -1.04 0.28 1.17 6.12 0.00 -1.24 -5.00 105.19 105.47 1nwd n GLY 96 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.10 1nwd n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwd n ASN 97 N -2.02 3.65 -1.99 1.61 6.94 -1.26 -4.99 115.26 117.21 1nwd n ASN 97 Ca -0.02 -1.99 -0.08 0.00 -0.02 0.00 0.00 54.58 52.47 1nwd n ASN 97 Cb 0.54 -0.40 0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1nwd n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nwd n GLY 98 N 1.39 0.14 3.13 4.83 0.00 -1.26 -5.04 105.19 108.38 1nwd n GLY 98 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.97 1nwd n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nwd s TYR 99 N -3.15 -1.49 -0.74 1.61 2.02 -1.25 -4.30 117.35 110.04 1nwd s TYR 99 Ca 0.05 0.05 -0.27 0.00 -0.37 0.00 0.00 57.07 56.54 1nwd s TYR 99 Cb -0.02 0.20 0.02 0.00 -0.40 0.00 0.00 41.96 41.76 1nwd s TYR 99 CO 0.31 -1.15 1.39 0.42 -1.57 0.00 0.00 175.55 174.95 1nwd s ILE 100 N 1.75 3.67 0.63 2.71 1.01 -0.57 -4.62 121.20 125.79 1nwd s ILE 100 Ca 0.17 0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 1nwd s ILE 100 Cb -0.06 -4.77 -0.01 0.00 0.01 0.00 0.00 42.46 37.63 1nwd s ILE 100 CO -0.06 -1.71 1.18 -0.55 0.00 0.00 0.00 174.94 173.80 1nwd s SER 101 N 4.53 5.01 0.33 3.58 0.15 -1.26 -1.91 113.70 124.12 1nwd s SER 101 Ca 0.41 2.28 0.05 0.00 0.70 0.00 0.00 55.95 59.39 1nwd s SER 101 Cb -0.08 -2.58 0.69 0.00 -1.71 0.00 0.00 66.02 62.33 1nwd s SER 101 CO 0.14 -1.71 1.87 0.00 1.20 0.00 0.00 173.24 174.74 1nwd h ALA 102 N 0.48 1.68 0.32 5.45 0.00 -1.95 -2.27 119.26 122.96 1nwd h ALA 102 Ca -0.49 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1nwd h ALA 102 Cb 1.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1nwd h ALA 102 CO 0.54 0.10 -0.30 0.00 0.00 0.00 0.00 179.25 179.59 1nwd h ALA 103 N 1.57 -0.65 -0.76 0.00 0.00 -1.96 -1.93 119.26 115.52 1nwd h ALA 103 Ca 0.44 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.35 1nwd h ALA 103 Cb 0.53 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 1nwd h ALA 103 CO -0.21 -0.90 0.40 0.93 0.00 0.00 0.00 179.25 179.47 1nwd h GLU 104 N -0.65 0.63 0.73 0.00 5.08 -1.75 0.13 114.58 118.75 1nwd h GLU 104 Ca -0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1nwd h GLU 104 Cb 0.58 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1nwd h GLU 104 CO -0.05 0.42 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.96 1nwd h LEU 105 N 0.65 -0.83 -1.71 1.33 3.38 -1.44 -2.86 115.31 113.84 1nwd h LEU 105 Ca 0.38 0.00 0.23 0.00 0.09 0.00 0.00 57.88 58.58 1nwd h LEU 105 Cb 0.41 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1nwd h LEU 105 CO -0.28 -0.50 0.62 -0.09 0.09 0.00 0.00 178.44 178.27 1nwd h ARG 106 N -1.13 0.22 0.67 1.13 1.12 -0.93 -1.94 114.38 113.52 1nwd h ARG 106 Ca -0.10 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.72 1nwd h ARG 106 Cb 0.77 -0.05 0.01 0.00 -0.01 0.00 0.00 29.97 30.69 1nwd h ARG 106 CO 0.16 0.15 -0.32 1.25 -3.11 0.00 0.00 179.97 178.10 1nwd h HIS 107 N 0.23 -0.83 -0.11 2.20 2.76 -0.67 -1.78 115.15 116.95 1nwd h HIS 107 Ca 0.46 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.58 1nwd h HIS 107 Cb 1.41 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 30.64 1nwd h HIS 107 CO -0.00 -0.52 -0.06 -0.24 -1.30 0.00 0.00 177.93 175.81 1nwd h VAL 108 N -1.02 1.12 0.49 5.26 3.04 -1.24 -1.33 116.25 122.57 1nwd h VAL 108 Ca -0.09 -0.49 -0.02 0.00 -1.01 0.00 0.00 66.70 65.09 1nwd h VAL 108 Cb 0.68 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1nwd h VAL 108 CO 0.15 0.15 -0.29 0.24 -1.01 0.00 0.00 177.57 176.81 1nwd h MET 109 N 0.16 -0.71 -0.34 4.17 2.07 -1.39 -3.24 114.93 115.64 1nwd h MET 109 Ca 0.04 0.05 -0.06 0.00 -2.07 0.00 0.00 59.70 57.66 1nwd h MET 109 Cb 0.22 0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 30.09 1nwd h MET 109 CO 0.01 -0.48 -0.02 1.15 1.07 0.00 0.00 176.91 178.64 1nwd h THR 110 N -0.74 1.21 -0.93 2.22 2.02 -0.70 -2.84 112.91 113.14 1nwd h THR 110 Ca -0.06 -0.84 0.20 0.00 0.77 0.00 0.00 66.41 66.48 1nwd h THR 110 Cb 0.60 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 1nwd h THR 110 CO 0.06 0.29 0.61 0.78 0.37 0.00 0.00 175.52 177.63 1nwd h ASN 111 N 0.51 0.50 0.22 4.18 2.35 -1.28 -1.19 115.58 120.88 1nwd h ASN 111 Ca 0.11 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1nwd h ASN 111 Cb 0.37 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1nwd h ASN 111 CO 0.01 0.20 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.81 1nwd h LEU 112 N 0.50 -0.25 0.00 1.61 3.38 -1.57 -3.48 115.31 115.49 1nwd h LEU 112 Ca 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1nwd h LEU 112 Cb 1.11 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1nwd h LEU 112 CO -0.23 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.01 1nwd n GLY 113 N -0.30 0.04 2.59 0.83 0.00 -0.45 -5.14 105.19 102.77 1nwd n GLY 113 Ca -0.09 -0.34 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1nwd n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nwd s GLU 114 N 0.00 0.82 -0.94 1.61 2.02 -1.23 -5.02 118.70 115.95 1nwd s GLU 114 Ca 0.00 -1.50 -0.06 0.00 0.02 0.00 0.00 54.97 53.43 1nwd s GLU 114 Cb 0.00 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.50 1nwd s GLU 114 CO 0.00 -1.16 2.76 1.63 0.02 0.00 0.00 175.26 178.51 1nwd n LYS 115 N 4.02 3.47 -2.84 1.61 4.01 -1.26 -3.89 118.16 123.28 1nwd n LYS 115 Ca 0.08 -2.61 -0.41 0.00 -0.51 0.00 0.00 58.31 54.86 1nwd n LYS 115 Cb 0.37 -2.43 -0.04 0.00 -0.51 0.00 0.00 35.03 32.42 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1nwd s LEU 116 N -1.51 4.43 0.46 -0.35 1.43 -1.26 -5.02 118.68 116.86 1nwd s LEU 116 Ca 0.60 1.58 -0.24 0.00 -1.03 0.00 0.00 54.13 55.03 1nwd s LEU 116 Cb 0.26 -3.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.00 1nwd s LEU 116 CO -0.12 -0.10 1.35 0.42 0.23 0.00 0.00 176.35 178.14 1nwd s THR 117 N 0.34 2.33 -0.02 5.49 -4.23 -1.26 -4.93 115.64 113.36 1nwd s THR 117 Ca 0.44 0.28 0.31 0.00 -1.18 0.00 0.00 61.69 61.54 1nwd s THR 117 Cb -0.21 -3.16 0.35 0.00 1.34 0.00 0.00 72.50 70.82 1nwd s THR 117 CO 0.26 0.03 1.93 -2.24 -0.54 0.00 0.00 174.62 174.06 1nwd h ASP 118 N 2.20 0.00 -0.01 3.99 2.03 -1.99 -2.91 116.42 119.73 1nwd h ASP 118 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 1nwd h ASP 118 Cb 1.27 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.77 1nwd h ASP 118 CO 0.61 0.00 0.01 1.05 -1.03 0.00 0.00 179.24 179.87 1nwd h GLU 119 N 0.00 0.00 0.63 4.15 4.11 -2.00 -2.22 114.58 119.25 1nwd h GLU 119 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1nwd h GLU 119 Cb 0.38 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1nwd h GLU 119 CO 0.00 0.00 -0.30 0.93 0.07 0.00 0.00 179.01 179.71 1nwd h GLU 120 N 0.00 -0.81 -0.64 1.06 3.07 -1.90 -3.15 114.58 112.22 1nwd h GLU 120 Ca 0.00 0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1nwd h GLU 120 Cb 0.02 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.09 1nwd h GLU 120 CO -0.00 -0.54 0.33 -0.24 -1.40 0.00 0.00 179.01 177.16 1nwd h VAL 121 N -0.98 1.21 -0.83 3.13 3.04 -1.70 -2.42 116.25 117.70 1nwd h VAL 121 Ca -0.09 -0.55 0.16 0.00 -1.01 0.00 0.00 66.70 65.21 1nwd h VAL 121 Cb 0.64 0.40 -0.10 0.00 -2.01 0.00 0.00 31.29 30.23 1nwd h VAL 121 CO 0.14 0.23 0.39 0.44 -1.01 0.00 0.00 177.57 177.76 1nwd h ASP 122 N 0.87 0.41 0.20 3.17 3.32 -1.55 -0.94 116.42 121.91 1nwd h ASP 122 Ca 0.22 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 1nwd h ASP 122 Cb 0.07 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1nwd h ASP 122 CO -0.03 0.14 -0.10 -0.08 -1.72 0.00 0.00 179.24 177.45 1nwd h GLU 123 N 0.52 -0.26 0.00 3.56 4.22 -1.39 -2.61 114.58 118.62 1nwd h GLU 123 Ca 0.47 0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.91 1nwd h GLU 123 Cb 0.74 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1nwd h GLU 123 CO -0.41 0.10 -0.07 0.00 -2.18 0.00 0.00 179.01 176.45 1nwd h MET 124 N -0.68 0.00 0.90 1.92 -0.00 -1.36 -2.40 114.93 113.31 1nwd h MET 124 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.63 1nwd h MET 124 Cb 0.48 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.09 1nwd h MET 124 CO 0.05 0.07 -0.43 0.82 -0.00 0.00 0.00 176.91 177.41 1nwd h ILE 125 N 0.00 0.00 -0.51 -0.10 2.04 -1.22 -3.29 117.51 114.43 1nwd h ILE 125 Ca -0.00 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1nwd h ILE 125 Cb 0.67 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1nwd h ILE 125 CO 0.01 0.00 0.53 0.03 0.00 0.00 0.00 178.15 178.72 1nwd h ARG 126 N -1.24 0.00 -0.94 2.37 3.08 -1.03 -2.22 114.38 114.40 1nwd h ARG 126 Ca -0.12 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.97 1nwd h ARG 126 Cb 0.93 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.92 1nwd h ARG 126 CO 0.20 0.00 0.62 0.93 -1.07 0.00 0.00 179.97 180.65 1nwd h GLU 127 N 0.00 1.14 -0.97 0.04 5.08 -1.55 -3.35 114.58 114.97 1nwd h GLU 127 Ca 0.24 -0.07 -0.37 0.00 -1.00 0.00 0.00 59.36 58.16 1nwd h GLU 127 Cb 1.30 -0.26 -0.27 0.00 0.50 0.00 0.00 28.75 30.03 1nwd h GLU 127 CO -0.00 0.75 -0.80 0.00 -1.00 0.00 0.00 179.01 177.96 1nwd n ALA 128 N -2.39 0.50 -3.87 3.43 0.00 -0.88 -5.04 120.51 112.27 1nwd n ALA 128 Ca 0.13 -2.38 -0.30 0.00 0.00 0.00 0.00 53.44 50.89 1nwd n ALA 128 Cb 0.11 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 1nwd n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nwd s ASP 129 N -1.64 4.13 0.01 0.00 2.15 -0.95 -4.51 116.67 115.86 1nwd s ASP 129 Ca 0.32 -2.69 -0.27 0.00 0.43 0.00 0.00 52.55 50.34 1nwd s ASP 129 Cb 0.26 -1.39 -0.15 0.00 -0.30 0.00 0.00 42.92 41.34 1nwd s ASP 129 CO -0.12 -0.27 1.13 0.40 -0.17 0.00 0.00 175.17 176.13 1nwd h ILE 130 N 5.61 0.01 0.01 4.11 2.04 -1.91 -3.31 117.51 124.08 1nwd h ILE 130 Ca -0.06 -0.29 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1nwd h ILE 130 Cb 0.93 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1nwd h ILE 130 CO 0.59 0.00 -0.29 -0.78 0.00 0.00 0.00 178.15 177.67 1nwd h ASP 131 N -1.26 -0.86 -3.09 1.72 3.58 -1.95 -3.49 116.42 111.08 1nwd h ASP 131 Ca -0.10 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1nwd h ASP 131 Cb 0.75 0.34 -0.00 0.00 1.72 0.00 0.00 39.33 42.14 1nwd h ASP 131 CO 0.16 -0.36 -0.04 0.61 -2.88 0.00 0.00 179.24 176.73 1nwd n GLY 132 N -1.39 -2.89 1.59 -0.78 0.00 -1.25 -5.06 105.19 95.40 1nwd n GLY 132 Ca -0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 1nwd n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nwd n ASP 133 N 0.03 -0.35 0.00 1.61 5.68 -1.26 -5.02 116.55 117.24 1nwd n ASP 133 Ca -0.00 -2.04 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 1nwd n ASP 133 Cb 0.00 0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nwd n GLY 134 N -0.21 1.54 3.69 6.12 0.00 -1.26 -4.95 105.19 110.12 1nwd n GLY 134 Ca -0.15 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1nwd n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 135 N 0.00 0.06 -0.24 1.61 -0.21 -1.26 -4.38 119.66 115.23 1nwd s GLN 135 Ca 0.00 0.20 0.00 0.00 0.02 0.00 0.00 55.36 55.59 1nwd s GLN 135 Cb 0.00 -1.72 0.07 0.00 1.00 0.00 0.00 33.01 32.36 1nwd s GLN 135 CO 0.00 -2.91 -0.02 0.08 -2.12 0.00 0.00 175.29 170.32 1nwd s VAL 136 N -3.12 1.36 0.60 1.09 1.01 -0.81 -4.79 120.40 115.74 1nwd s VAL 136 Ca 0.67 -1.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.35 1nwd s VAL 136 Cb -0.14 -1.72 0.14 0.00 0.00 0.00 0.00 36.38 34.66 1nwd s VAL 136 CO 0.56 -0.21 0.67 -3.20 0.00 0.00 0.00 175.10 172.92 1nwd n ASN 137 N 4.72 -0.74 0.07 3.32 5.15 -1.26 -1.51 115.26 125.01 1nwd n ASN 137 Ca -0.10 -1.07 -0.13 0.00 -0.60 0.00 0.00 54.58 52.68 1nwd n ASN 137 Cb 0.44 -0.55 -0.09 0.00 -0.53 0.00 0.00 39.78 39.05 1nwd n ASN 137 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1nwd h TYR 138 N -1.78 -0.18 0.00 1.20 0.05 -1.99 0.53 116.97 114.80 1nwd h TYR 138 Ca -0.23 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1nwd h TYR 138 Cb 0.67 0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.47 1nwd h TYR 138 CO 0.00 0.15 0.00 0.39 -1.05 0.00 0.00 178.16 177.65 1nwd n GLU 139 N -5.03 0.39 0.00 4.88 -0.58 -1.26 -2.09 120.64 116.95 1nwd n GLU 139 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1nwd n GLU 139 Cb 0.22 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1nwd n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nwd n GLU 140 N -0.50 0.00 0.05 3.49 1.02 -1.09 -4.53 120.64 119.07 1nwd n GLU 140 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1nwd n GLU 140 Cb 0.00 -0.80 -0.08 0.00 -0.02 0.00 0.00 31.44 30.54 1nwd n GLU 140 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1nwd h PHE 141 N 0.00 -0.17 0.15 -0.32 3.57 -0.71 -0.99 116.94 118.47 1nwd h PHE 141 Ca 0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1nwd h PHE 141 Cb 0.98 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1nwd h PHE 141 CO 0.00 0.29 -0.07 0.28 -2.23 0.00 0.00 178.31 176.58 1nwd h VAL 142 N -0.79 0.95 -0.52 1.41 2.07 -1.66 -2.99 116.25 114.71 1nwd h VAL 142 Ca -0.02 -0.47 0.15 0.00 0.82 0.00 0.00 66.70 67.18 1nwd h VAL 142 Cb 0.54 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1nwd h VAL 142 CO 0.03 0.11 0.51 -0.61 0.02 0.00 0.00 177.57 177.63 1nwd h GLN 143 N -0.43 0.00 -0.52 1.57 5.75 -1.70 -1.96 115.11 117.81 1nwd h GLN 143 Ca -0.02 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1nwd h GLN 143 Cb 0.34 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 28.81 1nwd h GLN 143 CO 0.03 0.00 0.05 1.98 -2.65 0.00 0.00 178.83 178.24 1nwd h MET 144 N 0.00 0.16 0.00 1.69 4.05 -1.01 -1.45 114.93 118.37 1nwd h MET 144 Ca 0.25 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.53 1nwd h MET 144 Cb 1.26 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 32.00 1nwd h MET 144 CO -0.00 0.11 -0.59 0.52 0.23 0.00 0.00 176.91 177.18 1nwd h MET 145 N 0.17 0.00 -1.02 0.39 2.86 -1.50 -3.35 114.93 112.48 1nwd h MET 145 Ca 0.27 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.40 1nwd h MET 145 Cb 0.39 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 31.64 1nwd h MET 145 CO -0.40 0.59 -0.87 -2.37 1.06 0.00 0.00 176.91 174.92 1nwd n THR 146 N -3.36 2.13 -2.65 2.22 5.66 -1.07 -5.06 114.28 112.16 1nwd n THR 146 Ca 0.01 -4.18 -0.41 0.00 -3.05 0.00 0.00 64.05 56.42 1nwd n THR 146 Cb 0.72 -0.67 -0.04 0.00 -1.55 0.00 0.00 70.33 68.79 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nwd s ALA 147 N -3.55 3.31 0.00 1.79 0.00 -0.57 -4.90 121.76 117.84 1nwd s ALA 147 Ca 0.44 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.08 1nwd s ALA 147 Cb 0.40 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1nwd s ALA 147 CO -0.05 -0.06 0.00 0.36 0.00 0.00 0.00 175.76 176.00