#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd n ASP 2 N 0.00 0.94 -3.64 0.00 8.00 -1.26 -5.06 116.55 115.53 1nwd n ASP 2 Ca 0.00 -2.16 -0.06 0.00 0.71 0.00 0.00 54.79 53.29 1nwd n ASP 2 Cb 0.00 -0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 40.73 1nwd n ASP 2 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1nwd s GLN 3 N -0.28 0.51 0.18 -1.24 0.74 -1.26 -5.18 119.66 113.14 1nwd s GLN 3 Ca 0.30 0.81 0.01 0.00 0.05 0.00 0.00 55.36 56.53 1nwd s GLN 3 Cb 0.34 0.14 -0.04 0.00 1.10 0.00 0.00 33.01 34.55 1nwd s GLN 3 CO -0.14 -0.10 0.34 -0.48 -0.55 0.00 0.00 175.29 174.37 1nwd s LEU 4 N 1.15 4.28 0.00 3.68 0.05 -1.26 -5.14 118.68 121.44 1nwd s LEU 4 Ca -0.06 0.30 -0.06 0.00 0.05 0.00 0.00 54.13 54.36 1nwd s LEU 4 Cb -0.04 -3.05 -0.00 0.00 -2.05 0.00 0.00 46.19 41.04 1nwd s LEU 4 CO -0.14 -0.00 0.10 -0.89 -0.55 0.00 0.00 176.35 174.87 1nwd s THR 5 N -1.82 0.08 -1.74 5.48 2.01 -1.26 -5.06 115.64 113.33 1nwd s THR 5 Ca 0.37 -0.66 0.12 0.00 0.31 0.00 0.00 61.69 61.83 1nwd s THR 5 Cb -0.11 -0.37 0.29 0.00 0.01 0.00 0.00 72.50 72.31 1nwd s THR 5 CO 0.29 -0.36 1.23 -1.84 -0.69 0.00 0.00 174.62 173.24 1nwd n GLU 6 N 1.64 0.29 -0.24 4.92 0.28 -1.26 -3.48 120.64 122.79 1nwd n GLU 6 Ca -0.22 0.08 0.03 0.00 -0.16 0.00 0.00 57.16 56.89 1nwd n GLU 6 Cb 0.56 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.08 1nwd n GLU 6 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1nwd h GLU 7 N 0.00 0.48 -0.27 3.44 5.08 -1.99 -2.03 114.58 119.28 1nwd h GLU 7 Ca 0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1nwd h GLU 7 Cb 0.05 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1nwd h GLU 7 CO 0.00 0.32 0.04 -0.56 -1.00 0.00 0.00 179.01 177.81 1nwd h GLN 8 N 0.49 0.13 0.47 2.33 3.07 -2.00 -1.98 115.11 117.62 1nwd h GLN 8 Ca 0.37 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 59.08 1nwd h GLN 8 Cb 0.48 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.00 1nwd h GLN 8 CO -0.33 0.09 -0.28 0.82 0.09 0.00 0.00 178.83 179.21 1nwd h ILE 9 N 0.14 0.42 -0.85 1.86 2.04 -1.67 -1.75 117.51 117.69 1nwd h ILE 9 Ca 0.13 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.09 1nwd h ILE 9 Cb 0.14 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 36.57 1nwd h ILE 9 CO -0.18 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.46 1nwd h ALA 10 N -0.22 1.23 0.55 1.87 0.00 -1.38 -0.47 119.26 120.84 1nwd h ALA 10 Ca -0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1nwd h ALA 10 Cb 0.58 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1nwd h ALA 10 CO 0.06 0.11 -0.27 1.49 0.00 0.00 0.00 179.25 180.65 1nwd h GLU 11 N 0.82 -0.72 -0.88 0.00 4.57 -1.09 -2.51 114.58 114.78 1nwd h GLU 11 Ca 0.41 0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.71 1nwd h GLU 11 Cb 0.39 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 1nwd h GLU 11 CO -0.25 -0.45 0.55 0.74 -1.18 0.00 0.00 179.01 178.41 1nwd h PHE 12 N -0.81 1.01 -0.16 0.92 0.04 -1.16 -1.81 116.94 114.99 1nwd h PHE 12 Ca -0.08 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.76 1nwd h PHE 12 Cb 0.60 -0.33 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 1nwd h PHE 12 CO -0.02 0.51 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.89 1nwd h LYS 13 N 1.00 -0.08 -0.13 1.51 1.63 -0.99 -2.00 116.57 117.51 1nwd h LYS 13 Ca 0.38 0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.16 1nwd h LYS 13 Cb 0.17 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.82 1nwd h LYS 13 CO -0.17 -0.05 -0.01 1.49 -3.45 0.00 0.00 179.45 177.25 1nwd h GLU 14 N -0.08 0.24 -0.98 1.90 4.57 -1.25 -2.27 114.58 116.71 1nwd h GLU 14 Ca 0.09 -0.08 0.13 0.00 -1.18 0.00 0.00 59.36 58.32 1nwd h GLU 14 Cb 0.22 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 28.70 1nwd h GLU 14 CO -0.21 0.50 0.60 0.00 -1.18 0.00 0.00 179.01 178.72 1nwd h ALA 15 N 0.73 1.50 0.38 2.92 0.00 -1.22 -1.06 119.26 122.51 1nwd h ALA 15 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1nwd h ALA 15 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nwd h ALA 15 CO 0.01 0.14 -0.18 0.35 0.00 0.00 0.00 179.25 179.56 1nwd h PHE 16 N 0.91 -0.48 -0.74 0.00 3.04 -1.35 -3.31 116.94 115.01 1nwd h PHE 16 Ca 0.50 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.59 1nwd h PHE 16 Cb 0.57 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 39.19 1nwd h PHE 16 CO -0.02 -0.19 0.50 1.03 -2.02 0.00 0.00 178.31 177.62 1nwd h SER 17 N -0.72 0.37 -0.21 0.41 0.87 -0.71 -2.09 113.55 111.48 1nwd h SER 17 Ca -0.05 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.58 1nwd h SER 17 Cb 0.50 -0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.34 1nwd h SER 17 CO 0.09 0.19 -0.31 0.25 -0.53 0.00 0.00 176.83 176.51 1nwd h LEU 18 N 0.40 -1.00 -0.15 2.23 5.85 -1.31 -2.95 115.31 118.36 1nwd h LEU 18 Ca 0.36 0.16 -0.09 0.00 0.84 0.00 0.00 57.88 59.15 1nwd h LEU 18 Cb 0.85 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1nwd h LEU 18 CO -0.11 -0.34 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.12 1nwd h PHE 19 N -0.35 0.57 -0.45 1.25 -1.00 -1.58 -3.36 116.94 112.02 1nwd h PHE 19 Ca 0.12 -0.20 -0.70 0.00 2.81 0.00 0.00 57.97 60.00 1nwd h PHE 19 Cb 0.53 -0.11 -0.06 0.00 3.61 0.00 0.00 35.95 39.92 1nwd h PHE 19 CO -0.44 0.90 2.68 -3.47 -1.61 0.00 0.00 178.31 176.37 1nwd n ASP 20 N -4.41 4.37 0.08 2.17 2.03 -0.84 -4.69 116.55 115.26 1nwd n ASP 20 Ca -0.06 -2.89 -0.04 0.00 0.52 0.00 0.00 54.79 52.32 1nwd n ASP 20 Cb 0.45 -1.68 0.18 0.00 -0.72 0.00 0.00 41.12 39.35 1nwd n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1nwd h LYS 21 N 6.61 0.29 -0.77 -0.67 1.57 -1.72 -3.29 116.57 118.59 1nwd h LYS 21 Ca 0.51 -0.15 0.13 0.00 -1.87 0.00 0.00 60.65 59.27 1nwd h LYS 21 Cb 0.73 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 1nwd h LYS 21 CO 1.70 0.70 0.35 -0.44 -0.57 0.00 0.00 179.45 181.18 1nwd h ASP 22 N 0.23 0.40 0.00 0.86 5.19 -1.92 -3.47 116.42 117.71 1nwd h ASP 22 Ca 0.01 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.52 1nwd h ASP 22 Cb 0.91 0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.46 1nwd h ASP 22 CO 0.07 0.18 0.00 0.61 -3.12 0.00 0.00 179.24 176.98 1nwd n GLY 23 N -1.32 2.70 0.40 2.75 0.00 -1.24 -4.95 105.19 103.53 1nwd n GLY 23 Ca 0.14 -0.65 0.18 0.00 0.00 0.00 0.00 46.02 45.69 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 0.81 0.42 -0.60 1.61 3.04 -1.91 -3.47 116.42 116.32 1nwd h ASP 24 Ca 0.00 0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.83 1nwd h ASP 24 Cb 0.00 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.25 1nwd h ASP 24 CO 0.00 0.18 0.00 0.61 -2.04 0.00 0.00 179.24 177.99 1nwd n GLY 25 N -1.51 0.59 3.04 7.15 0.00 -1.26 -5.08 105.19 108.11 1nwd n GLY 25 Ca 0.18 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.71 -0.00 -0.92 2.61 -4.23 -1.26 -3.95 115.64 106.18 1nwd s THR 26 Ca 0.00 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.49 1nwd s THR 26 Cb 0.00 -0.24 0.23 0.00 1.34 0.00 0.00 72.50 73.82 1nwd s THR 26 CO 0.00 0.01 0.83 -0.63 -0.54 0.00 0.00 174.62 174.28 1nwd s ILE 27 N 0.19 4.72 0.71 2.99 -1.09 -0.36 -4.86 121.20 123.50 1nwd s ILE 27 Ca -0.01 -3.65 -0.06 0.00 -2.23 0.00 0.00 60.65 54.70 1nwd s ILE 27 Cb -0.02 -3.91 0.07 0.00 -1.58 0.00 0.00 42.46 37.02 1nwd s ILE 27 CO -0.00 -1.09 1.01 0.28 -1.23 0.00 0.00 174.94 173.91 1nwd s THR 28 N -1.18 2.28 0.39 2.92 -1.32 -1.26 -3.31 115.64 114.17 1nwd s THR 28 Ca 0.27 -0.31 0.06 0.00 -1.21 0.00 0.00 61.69 60.50 1nwd s THR 28 Cb -0.09 -2.97 0.26 0.00 -1.51 0.00 0.00 72.50 68.19 1nwd s THR 28 CO -0.11 0.00 2.04 0.71 -2.21 0.00 0.00 174.62 175.05 1nwd h THR 29 N -0.60 1.12 -0.50 5.08 1.35 -1.90 -1.70 112.91 115.76 1nwd h THR 29 Ca -0.44 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1nwd h THR 29 Cb 1.31 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 68.19 1nwd h THR 29 CO 0.57 0.12 0.31 0.11 -0.25 0.00 0.00 175.52 176.38 1nwd h LYS 30 N 0.61 0.67 -0.11 4.72 6.56 -1.97 -1.29 116.57 125.75 1nwd h LYS 30 Ca 0.16 -0.05 0.03 0.00 -1.06 0.00 0.00 60.65 59.73 1nwd h LYS 30 Cb -0.04 -0.14 -0.03 0.00 -0.57 0.00 0.00 32.23 31.45 1nwd h LYS 30 CO -0.03 0.47 -0.05 1.49 -2.06 0.00 0.00 179.45 179.26 1nwd h GLU 31 N 0.67 -0.04 -0.34 3.15 4.57 -1.70 -0.91 114.58 119.98 1nwd h GLU 31 Ca 0.18 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 1nwd h GLU 31 Cb -0.04 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.51 1nwd h GLU 31 CO -0.04 -0.03 0.05 1.25 -1.18 0.00 0.00 179.01 179.07 1nwd h LEU 32 N -0.04 -0.02 0.23 1.64 7.12 -1.35 -2.97 115.31 119.92 1nwd h LEU 32 Ca 0.06 0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.13 1nwd h LEU 32 Cb 0.14 0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.35 1nwd h LEU 32 CO -0.14 0.03 -0.16 1.23 -0.13 0.00 0.00 178.44 179.26 1nwd h GLY 33 N 0.16 -0.40 0.56 3.75 0.00 -0.81 -3.02 103.07 103.32 1nwd h GLY 33 Ca 0.16 0.18 0.08 0.00 0.00 0.00 0.00 47.33 47.75 1nwd h GLY 33 CO -0.22 -0.17 0.35 -0.84 0.00 0.00 0.00 176.54 175.66 1nwd h THR 34 N -0.40 0.90 0.36 4.70 2.02 -1.14 -0.70 112.91 118.65 1nwd h THR 34 Ca -0.02 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1nwd h THR 34 Cb 0.34 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1nwd h THR 34 CO 0.00 0.11 -0.28 0.58 0.37 0.00 0.00 175.52 176.31 1nwd h VAL 35 N 0.62 0.41 -0.96 3.16 2.07 -1.48 -1.02 116.25 119.05 1nwd h VAL 35 Ca 0.32 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.89 1nwd h VAL 35 Cb 0.29 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 1nwd h VAL 35 CO -0.23 0.00 0.62 0.24 0.02 0.00 0.00 177.57 178.22 1nwd h MET 36 N -0.64 1.13 0.25 1.57 2.86 -1.37 -3.02 114.93 115.72 1nwd h MET 36 Ca -0.03 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1nwd h MET 36 Cb 0.56 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1nwd h MET 36 CO -0.01 0.75 -0.12 -0.09 1.06 0.00 0.00 176.91 178.50 1nwd h ARG 37 N 1.17 -0.33 -0.33 1.72 9.65 -0.81 -1.08 114.38 124.37 1nwd h ARG 37 Ca 0.40 0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.38 1nwd h ARG 37 Cb 0.09 0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.67 1nwd h ARG 37 CO -0.15 -0.19 -0.20 0.77 2.80 0.00 0.00 179.97 183.00 1nwd h SER 38 N -0.37 -0.67 0.10 -3.80 0.02 -1.11 -3.03 113.55 104.69 1nwd h SER 38 Ca -0.03 0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1nwd h SER 38 Cb 0.28 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 1nwd h SER 38 CO 0.06 -0.23 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.36 1nwd h LEU 39 N -0.16 -0.23 0.00 5.07 3.38 -1.51 -3.48 115.31 118.38 1nwd h LEU 39 Ca 0.17 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1nwd h LEU 39 Cb 0.42 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1nwd h LEU 39 CO -0.43 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 178.60 1nwd n GLY 40 N -1.10 -0.52 3.16 0.83 0.00 -0.70 -5.13 105.19 101.73 1nwd n GLY 40 Ca -0.02 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 0.54 -0.48 1.61 -0.21 -0.49 -5.01 119.66 115.61 1nwd s GLN 41 Ca 0.00 -0.26 0.04 0.00 0.02 0.00 0.00 55.36 55.16 1nwd s GLN 41 Cb 0.00 0.23 0.13 0.00 1.00 0.00 0.00 33.01 34.37 1nwd s GLN 41 CO 0.00 -0.14 0.23 1.21 -2.12 0.00 0.00 175.29 174.48 1nwd s ASN 42 N -1.23 4.22 1.06 5.90 2.47 -1.26 -2.48 114.94 123.61 1nwd s ASN 42 Ca -0.13 -2.84 -0.13 0.00 0.42 0.00 0.00 52.86 50.19 1nwd s ASN 42 Cb -0.06 -1.51 0.18 0.00 -1.45 0.00 0.00 41.25 38.42 1nwd s ASN 42 CO 0.03 -0.25 0.81 -2.65 -3.72 0.00 0.00 177.10 171.31 1nwd n PRO 43 N 3.33 -1.45 -3.53 0.43 -0.02 -1.26 -5.02 135.00 127.48 1nwd n PRO 43 Ca 0.05 -0.38 -0.39 0.00 -2.02 0.00 0.00 63.50 60.76 1nwd n PRO 43 Cb 0.34 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.45 5.28 0.37 3.45 -4.23 -1.26 -5.01 115.64 111.79 1nwd s THR 44 Ca 0.64 -0.01 0.10 0.00 -1.18 0.00 0.00 61.69 61.24 1nwd s THR 44 Cb -0.22 -3.66 0.33 0.00 1.34 0.00 0.00 72.50 70.29 1nwd s THR 44 CO 0.64 0.09 1.89 1.05 -0.54 0.00 0.00 174.62 177.74 1nwd h GLU 45 N 8.43 0.62 -0.46 3.99 4.11 -2.00 -2.04 114.58 127.23 1nwd h GLU 45 Ca -0.33 -0.04 0.08 0.00 0.07 0.00 0.00 59.36 59.15 1nwd h GLU 45 Cb 1.17 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 1nwd h GLU 45 CO 0.61 0.41 0.03 0.00 0.07 0.00 0.00 179.01 180.13 1nwd h ALA 46 N 1.61 0.46 -0.47 1.06 0.00 -2.01 -2.53 119.26 117.38 1nwd h ALA 46 Ca 0.42 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.37 1nwd h ALA 46 Cb 0.70 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1nwd h ALA 46 CO -0.18 -0.36 -0.03 0.93 0.00 0.00 0.00 179.25 179.61 1nwd h GLU 47 N 0.15 0.84 -0.69 0.00 4.39 -1.81 -2.80 114.58 114.67 1nwd h GLU 47 Ca 0.23 -0.28 0.12 0.00 0.34 0.00 0.00 59.36 59.77 1nwd h GLU 47 Cb 0.33 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1nwd h GLU 47 CO -0.36 0.91 0.46 -0.07 -1.16 0.00 0.00 179.01 178.79 1nwd h LEU 48 N 0.69 0.39 0.54 1.33 3.38 -1.40 -1.98 115.31 118.26 1nwd h LEU 48 Ca 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1nwd h LEU 48 Cb 0.54 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nwd h LEU 48 CO 0.03 0.22 -0.26 -0.61 0.09 0.00 0.00 178.44 177.91 1nwd h GLN 49 N 0.42 -0.70 -0.28 1.13 5.75 -1.21 -3.33 115.11 116.88 1nwd h GLN 49 Ca 0.33 0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.91 1nwd h GLN 49 Cb 0.70 0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.35 1nwd h GLN 49 CO -0.10 -0.47 -0.46 -0.44 -2.65 0.00 0.00 178.83 174.71 1nwd h ASP 50 N -1.09 -1.52 -1.07 -0.69 3.32 -1.27 -1.56 116.42 112.54 1nwd h ASP 50 Ca -0.07 0.19 0.29 0.00 0.02 0.00 0.00 57.03 57.46 1nwd h ASP 50 Cb 0.56 0.61 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 1nwd h ASP 50 CO 0.12 -0.35 0.73 0.00 -1.72 0.00 0.00 179.24 178.02 1nwd h MET 51 N -0.37 0.19 0.02 3.56 -0.00 -1.53 0.15 114.93 116.95 1nwd h MET 51 Ca 0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.70 59.74 1nwd h MET 51 Cb 0.51 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 1nwd h MET 51 CO -0.46 0.12 -0.01 0.82 -0.00 0.00 0.00 176.91 177.38 1nwd h ILE 52 N 0.19 1.13 0.00 -0.10 2.04 -1.61 -3.41 117.51 115.75 1nwd h ILE 52 Ca 0.56 -1.75 -0.03 0.00 1.00 0.00 0.00 64.86 64.65 1nwd h ILE 52 Cb 1.81 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 39.97 1nwd h ILE 52 CO -0.15 0.37 -0.12 0.78 0.00 0.00 0.00 178.15 179.03 1nwd h ASN 53 N -0.97 0.00 -0.55 1.72 -0.26 0.04 -2.27 115.58 113.28 1nwd h ASN 53 Ca -0.00 0.00 0.11 0.00 -0.56 0.00 0.00 56.30 55.85 1nwd h ASN 53 Cb 0.63 0.00 -0.11 0.00 -1.06 0.00 0.00 38.32 37.78 1nwd h ASN 53 CO 0.01 0.12 -0.18 -0.33 -1.06 0.00 0.00 177.43 175.98 1nwd h GLU 54 N 0.00 -0.05 0.08 0.81 3.07 -1.60 -3.24 114.58 113.65 1nwd h GLU 54 Ca -0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 1nwd h GLU 54 Cb 0.28 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1nwd h GLU 54 CO 0.02 -0.03 -1.07 0.28 -1.40 0.00 0.00 179.01 176.80 1nwd h VAL 55 N -0.05 1.21 -1.47 3.13 2.07 -1.70 -3.38 116.25 116.06 1nwd h VAL 55 Ca 0.26 -2.38 -0.72 0.00 0.82 0.00 0.00 66.70 64.68 1nwd h VAL 55 Cb 0.45 2.82 0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1nwd h VAL 55 CO -0.60 0.63 1.01 -0.67 0.02 0.00 0.00 177.57 177.96 1nwd n ASP 56 N -4.15 2.41 0.04 0.57 2.03 -0.92 -1.76 116.55 114.77 1nwd n ASP 56 Ca -0.22 0.96 -0.12 0.00 0.52 0.00 0.00 54.79 55.93 1nwd n ASP 56 Cb 0.79 -1.17 -0.06 0.00 -0.72 0.00 0.00 41.12 39.95 1nwd n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nwd h ALA 57 N 8.23 -0.01 -0.73 -1.67 0.00 -1.89 -2.73 119.26 120.45 1nwd h ALA 57 Ca -0.43 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1nwd h ALA 57 Cb 1.32 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1nwd h ALA 57 CO 0.97 -0.52 0.22 -0.44 0.00 0.00 0.00 179.25 179.48 1nwd h ASP 58 N -0.04 1.07 -4.14 0.00 3.32 -1.97 -3.48 116.42 111.18 1nwd h ASP 58 Ca 0.02 -0.21 -0.28 0.00 0.02 0.00 0.00 57.03 56.57 1nwd h ASP 58 Cb 0.06 -0.28 0.09 0.00 0.22 0.00 0.00 39.33 39.42 1nwd h ASP 58 CO -0.04 1.00 -0.47 0.61 -1.72 0.00 0.00 179.24 178.63 1nwd n GLY 59 N -0.73 -0.12 0.07 2.75 0.00 -1.03 -4.98 105.19 101.15 1nwd n GLY 59 Ca 0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1nwd n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwd n ASN 60 N -1.58 0.03 0.00 1.61 2.04 -1.26 -5.03 115.26 111.07 1nwd n ASN 60 Ca -0.01 0.01 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1nwd n ASN 60 Cb 0.55 1.32 0.00 0.00 -2.53 0.00 0.00 39.78 39.13 1nwd n ASN 60 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1nwd n GLY 61 N 1.56 2.91 3.54 4.83 0.00 -1.26 -5.00 105.19 111.76 1nwd n GLY 61 Ca -0.22 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.37 4.16 -0.72 2.61 -4.23 -1.26 -4.31 115.64 110.52 1nwd s THR 62 Ca 0.00 0.44 -0.14 0.00 -1.18 0.00 0.00 61.69 60.81 1nwd s THR 62 Cb 0.00 -4.67 0.18 0.00 1.34 0.00 0.00 72.50 69.35 1nwd s THR 62 CO 0.00 -1.33 0.66 -0.63 -0.54 0.00 0.00 174.62 172.77 1nwd s ILE 63 N 4.56 5.40 1.30 2.99 -1.09 -1.21 -4.89 121.20 128.26 1nwd s ILE 63 Ca 0.34 -2.13 -0.19 0.00 -2.23 0.00 0.00 60.65 56.44 1nwd s ILE 63 Cb -0.11 -4.39 0.32 0.00 -1.58 0.00 0.00 42.46 36.71 1nwd s ILE 63 CO 0.20 -0.96 1.00 -1.81 -1.23 0.00 0.00 174.94 172.13 1nwd s ASP 64 N 2.64 0.00 0.04 3.58 1.11 -1.26 -1.22 116.67 121.56 1nwd s ASP 64 Ca 0.12 0.98 -0.07 0.00 0.18 0.00 0.00 52.55 53.76 1nwd s ASP 64 Cb -0.18 -1.45 -0.02 0.00 1.07 0.00 0.00 42.92 42.35 1nwd s ASP 64 CO -0.04 -4.73 1.12 0.49 1.18 0.00 0.00 175.17 173.19 1nwd n PHE 65 N -5.22 -0.11 -0.33 4.23 3.72 -1.25 -0.52 117.46 117.99 1nwd n PHE 65 Ca 0.10 0.30 -0.04 0.00 -0.05 0.00 0.00 57.45 57.76 1nwd n PHE 65 Cb 0.58 -0.52 0.08 0.00 -0.94 0.00 0.00 39.48 38.69 1nwd n PHE 65 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1nwd h PRO 66 N 0.00 1.23 0.00 -1.08 0.13 -1.96 -1.42 132.00 128.91 1nwd h PRO 66 Ca 0.04 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 64.95 1nwd h PRO 66 Cb 0.10 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 30.98 1nwd h PRO 66 CO -0.23 0.90 -0.36 1.49 -0.23 0.00 0.00 178.00 179.57 1nwd h GLU 67 N 1.24 0.00 0.05 0.86 4.57 -1.84 0.11 114.58 119.57 1nwd h GLU 67 Ca 0.31 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1nwd h GLU 67 Cb 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1nwd h GLU 67 CO -0.05 0.36 -0.02 0.35 -1.18 0.00 0.00 179.01 178.47 1nwd h PHE 68 N 0.00 -0.06 0.00 0.92 3.57 -0.43 -2.46 116.94 118.48 1nwd h PHE 68 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1nwd h PHE 68 Cb 0.65 0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1nwd h PHE 68 CO 0.00 0.52 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.49 1nwd h LEU 69 N -0.72 0.00 0.83 0.59 3.38 -1.16 -0.07 115.31 118.16 1nwd h LEU 69 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1nwd h LEU 69 Cb 0.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1nwd h LEU 69 CO 0.01 0.04 -0.40 0.74 0.09 0.00 0.00 178.44 178.92 1nwd h THR 70 N 0.00 0.00 -1.00 0.22 2.02 -0.80 -1.56 112.91 111.79 1nwd h THR 70 Ca -0.00 -0.13 0.23 0.00 0.77 0.00 0.00 66.41 67.28 1nwd h THR 70 Cb 0.12 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.43 1nwd h THR 70 CO 0.01 0.00 0.63 -0.03 0.37 0.00 0.00 175.52 176.49 1nwd h MET 71 N -1.25 0.54 0.32 6.66 1.85 -0.69 0.19 114.93 122.55 1nwd h MET 71 Ca -0.11 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 58.93 1nwd h MET 71 Cb 0.86 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.77 1nwd h MET 71 CO 0.19 0.36 -0.15 0.52 -0.40 0.00 0.00 176.91 177.42 1nwd h MET 72 N 0.55 -0.41 0.00 0.39 2.07 -1.12 -3.41 114.93 113.00 1nwd h MET 72 Ca 0.59 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 58.24 1nwd h MET 72 Cb 1.21 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 31.04 1nwd h MET 72 CO -0.35 -0.27 -0.13 0.00 1.07 0.00 0.00 176.91 177.23 1nwd h ALA 73 N -1.53 0.00 0.32 6.32 0.00 -0.88 -3.45 119.26 120.04 1nwd h ALA 73 Ca -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1nwd h ALA 73 Cb 0.33 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1nwd h ALA 73 CO 0.07 0.13 -0.15 0.00 0.00 0.00 0.00 179.25 179.30 1nwd h ARG 74 N -0.26 -0.41 -1.05 0.00 -0.00 -1.27 -3.45 114.38 107.93 1nwd h ARG 74 Ca 0.00 0.03 0.02 0.00 -0.50 0.00 0.00 59.98 59.53 1nwd h ARG 74 Cb 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 30.18 1nwd h ARG 74 CO 0.00 -0.28 -0.30 1.17 0.00 0.00 0.00 179.97 180.56 1nwd n LYS 75 N -3.49 -1.12 -0.49 0.04 0.00 0.52 -4.21 118.16 109.41 1nwd n LYS 75 Ca -0.05 0.88 0.02 0.00 0.00 0.00 0.00 58.31 59.16 1nwd n LYS 75 Cb 0.17 -1.14 -0.01 0.00 0.00 0.00 0.00 35.03 34.05 1nwd n LYS 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1nwd n MET 76 N -2.03 -1.24 -0.87 1.64 1.56 -1.26 -4.63 117.12 110.29 1nwd n MET 76 Ca -0.01 0.98 -0.22 0.00 -0.27 0.00 0.00 57.70 58.19 1nwd n MET 76 Cb 0.15 -1.28 -0.06 0.00 2.15 0.00 0.00 33.22 34.18 1nwd n MET 76 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1nwd n LYS 77 N -2.19 2.27 -4.35 2.12 2.85 -0.72 -4.74 118.16 113.39 1nwd n LYS 77 Ca -0.01 -1.39 -0.18 0.00 -1.05 0.00 0.00 58.31 55.68 1nwd n LYS 77 Cb 0.18 -2.34 -0.10 0.00 -0.65 0.00 0.00 35.03 32.13 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1nwd s ASP 78 N 2.72 1.51 0.00 -5.58 1.01 -1.26 -4.90 116.67 110.17 1nwd s ASP 78 Ca 0.50 -1.44 0.00 0.00 0.71 0.00 0.00 52.55 52.32 1nwd s ASP 78 Cb 0.17 0.20 0.00 0.00 1.01 0.00 0.00 42.92 44.30 1nwd s ASP 78 CO -0.03 -0.76 0.01 0.35 0.21 0.00 0.00 175.17 174.95 1nwd n THR 79 N -0.55 0.00 -2.36 -1.27 -2.24 -1.26 -4.59 114.28 102.01 1nwd n THR 79 Ca -0.00 0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.41 1nwd n THR 79 Cb 0.66 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1nwd n THR 79 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1nwd n ASP 80 N -0.13 5.33 -1.24 3.42 8.00 -1.26 -4.83 116.55 125.85 1nwd n ASP 80 Ca 0.00 -3.14 0.05 0.00 0.71 0.00 0.00 54.79 52.41 1nwd n ASP 80 Cb 0.00 -1.46 0.23 0.00 -0.02 0.00 0.00 41.12 39.88 1nwd n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1nwd n SER 81 N 3.56 3.55 -0.19 -2.24 7.64 -1.26 -3.48 113.62 121.20 1nwd n SER 81 Ca 0.40 -2.45 -0.04 0.00 1.01 0.00 0.00 58.87 57.79 1nwd n SER 81 Cb 0.35 -0.55 0.14 0.00 -1.01 0.00 0.00 64.21 63.14 1nwd n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1nwd h GLU 82 N 2.41 0.97 -0.58 1.43 5.08 -1.88 -2.32 114.58 119.70 1nwd h GLU 82 Ca 0.00 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 1nwd h GLU 82 Cb 1.24 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1nwd h GLU 82 CO 0.24 0.83 0.33 0.93 -1.00 0.00 0.00 179.01 180.35 1nwd h GLU 83 N 0.94 0.80 -0.30 2.33 4.39 -1.92 -1.12 114.58 119.70 1nwd h GLU 83 Ca 0.21 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1nwd h GLU 83 Cb 0.27 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1nwd h GLU 83 CO -0.01 0.60 0.09 0.93 -1.16 0.00 0.00 179.01 179.46 1nwd h GLU 84 N 0.78 0.43 -0.03 2.33 4.39 -1.72 0.94 114.58 121.70 1nwd h GLU 84 Ca 0.21 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1nwd h GLU 84 Cb 0.02 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1nwd h GLU 84 CO -0.04 0.38 -0.02 0.82 -1.16 0.00 0.00 179.01 179.00 1nwd h ILE 85 N 0.42 1.35 -0.76 3.13 1.08 -1.25 -0.84 117.51 120.64 1nwd h ILE 85 Ca 0.10 -1.06 0.14 0.00 -0.39 0.00 0.00 64.86 63.65 1nwd h ILE 85 Cb 0.14 2.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.84 1nwd h ILE 85 CO -0.01 0.28 0.51 0.03 -0.69 0.00 0.00 178.15 178.27 1nwd h ARG 86 N -0.36 0.48 -0.05 2.37 2.47 -0.71 -0.76 114.38 117.80 1nwd h ARG 86 Ca 0.01 -0.03 -0.09 0.00 -1.26 0.00 0.00 59.98 58.61 1nwd h ARG 86 Cb 0.46 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1nwd h ARG 86 CO 0.00 0.31 -0.31 0.93 0.56 0.00 0.00 179.97 181.47 1nwd h GLU 87 N 0.49 0.30 -0.84 0.04 5.08 -0.80 -3.11 114.58 115.73 1nwd h GLU 87 Ca 0.37 -0.25 0.13 0.00 -1.00 0.00 0.00 59.36 58.62 1nwd h GLU 87 Cb 0.76 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 1nwd h GLU 87 CO -0.13 0.91 0.44 0.00 -1.00 0.00 0.00 179.01 179.23 1nwd h ALA 88 N 0.40 1.25 -0.62 3.43 0.00 -0.54 -1.11 119.26 122.06 1nwd h ALA 88 Ca -0.02 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1nwd h ALA 88 Cb 0.97 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1nwd h ALA 88 CO 0.06 -0.05 0.32 0.74 0.00 0.00 0.00 179.25 180.32 1nwd h PHE 89 N 0.66 0.57 -0.01 0.00 -1.00 -1.22 -2.30 116.94 113.65 1nwd h PHE 89 Ca 0.45 0.03 -0.12 0.00 2.81 0.00 0.00 57.97 61.13 1nwd h PHE 89 Cb 0.59 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1nwd h PHE 89 CO -0.09 0.25 -0.56 0.00 -1.61 0.00 0.00 178.31 176.30 1nwd h ARG 90 N 0.58 0.02 0.28 1.51 3.08 -1.16 0.26 114.38 118.96 1nwd h ARG 90 Ca 0.29 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1nwd h ARG 90 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1nwd h ARG 90 CO -0.21 0.58 -0.13 0.28 -1.07 0.00 0.00 179.97 179.42 1nwd h VAL 91 N 0.02 0.76 -0.27 2.04 2.07 -1.21 -3.30 116.25 116.35 1nwd h VAL 91 Ca -0.01 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.01 1nwd h VAL 91 Cb 1.00 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1nwd h VAL 91 CO 0.07 0.11 0.11 -0.26 0.02 0.00 0.00 177.57 177.62 1nwd h PHE 92 N -0.66 0.19 -4.19 1.57 -1.00 -1.34 -3.44 116.94 108.09 1nwd h PHE 92 Ca -0.04 0.01 -0.47 0.00 2.81 0.00 0.00 57.97 60.29 1nwd h PHE 92 Cb 0.46 -0.05 0.13 0.00 3.61 0.00 0.00 35.95 40.11 1nwd h PHE 92 CO 0.01 0.10 0.29 -0.51 -1.61 0.00 0.00 178.31 176.59 1nwd s ASP 93 N -5.34 3.62 -0.33 2.17 1.11 0.07 -4.66 116.67 113.31 1nwd s ASP 93 Ca -0.13 1.12 0.09 0.00 0.18 0.00 0.00 52.55 53.81 1nwd s ASP 93 Cb 0.10 -1.76 0.45 0.00 1.07 0.00 0.00 42.92 42.79 1nwd s ASP 93 CO 0.70 -2.50 1.15 0.29 1.18 0.00 0.00 175.17 175.99 1nwd n LYS 94 N -3.75 3.23 0.06 8.23 4.76 -1.26 -4.81 118.16 124.62 1nwd n LYS 94 Ca 0.06 -4.14 0.00 0.00 -2.87 0.00 0.00 58.31 51.36 1nwd n LYS 94 Cb 0.58 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 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 -0.60 -1.09 -1.65 4.39 5.68 -1.26 -5.13 116.55 116.89 1nwd n ASP 95 Ca 0.37 0.38 -0.00 0.00 -0.50 0.00 0.00 54.79 55.04 1nwd n ASP 95 Cb 0.86 1.26 0.00 0.00 -1.14 0.00 0.00 41.12 42.10 1nwd n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nwd n GLY 96 N -1.35 -2.53 2.44 6.12 0.00 -1.26 -5.03 105.19 103.59 1nwd n GLY 96 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.03 3.48 -3.66 1.61 6.94 -1.26 -4.96 115.26 117.38 1nwd n ASN 97 Ca 0.00 -3.16 -0.22 0.00 -0.02 0.00 0.00 54.58 51.19 1nwd n ASN 97 Cb 0.01 -0.44 0.05 0.00 -2.36 0.00 0.00 39.78 37.04 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 -0.51 -0.34 3.66 4.83 0.00 -1.26 -4.98 105.19 106.58 1nwd n GLY 98 Ca 0.28 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.39 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 -3.54 -0.19 -0.18 1.61 2.02 -1.26 -4.32 117.35 111.49 1nwd s TYR 99 Ca 0.11 -0.04 -0.04 0.00 -0.37 0.00 0.00 57.07 56.73 1nwd s TYR 99 Cb -0.05 0.60 0.08 0.00 -0.40 0.00 0.00 41.96 42.18 1nwd s TYR 99 CO 0.79 -0.68 0.19 0.42 -1.57 0.00 0.00 175.55 174.70 1nwd s ILE 100 N -3.15 -0.27 0.55 2.71 1.01 -0.96 -4.84 121.20 116.25 1nwd s ILE 100 Ca 0.10 -0.06 -0.15 0.00 0.00 0.00 0.00 60.65 60.54 1nwd s ILE 100 Cb -0.01 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.80 1nwd s ILE 100 CO -0.02 -0.17 1.01 -0.55 0.00 0.00 0.00 174.94 175.21 1nwd s SER 101 N 2.28 6.39 0.23 3.58 0.15 -1.26 -1.48 113.70 123.60 1nwd s SER 101 Ca 0.05 1.59 -0.07 0.00 0.70 0.00 0.00 55.95 58.22 1nwd s SER 101 Cb -0.15 -2.51 0.24 0.00 -1.71 0.00 0.00 66.02 61.89 1nwd s SER 101 CO -0.10 -0.75 1.89 0.00 1.20 0.00 0.00 173.24 175.48 1nwd h ALA 102 N 0.61 1.14 -0.13 5.45 0.00 -1.96 -2.17 119.26 122.19 1nwd h ALA 102 Ca -0.46 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nwd h ALA 102 Cb 1.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1nwd h ALA 102 CO 0.61 0.47 0.08 0.00 0.00 0.00 0.00 179.25 180.41 1nwd h ALA 103 N 1.34 0.17 -0.97 0.00 0.00 -1.94 -2.10 119.26 115.76 1nwd h ALA 103 Ca 0.34 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.28 1nwd h ALA 103 Cb -0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1nwd h ALA 103 CO -0.09 -0.32 0.62 0.93 0.00 0.00 0.00 179.25 180.39 1nwd h GLU 104 N 0.15 1.10 -0.06 0.00 5.08 -1.83 -0.75 114.58 118.27 1nwd h GLU 104 Ca 0.05 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1nwd h GLU 104 Cb 0.02 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 1nwd h GLU 104 CO -0.01 0.73 0.04 -0.07 -1.00 0.00 0.00 179.01 178.69 1nwd h LEU 105 N 1.13 0.07 -0.56 1.33 3.38 -1.26 -2.51 115.31 116.88 1nwd h LEU 105 Ca 0.42 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.41 1nwd h LEU 105 Cb 0.16 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1nwd h LEU 105 CO -0.17 0.05 0.33 -0.09 0.09 0.00 0.00 178.44 178.65 1nwd h ARG 106 N 0.07 0.63 0.42 1.13 2.43 -0.70 -2.64 114.38 115.72 1nwd h ARG 106 Ca 0.02 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1nwd h ARG 106 Cb -0.00 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1nwd h ARG 106 CO -0.00 0.41 -0.31 0.45 -1.51 0.00 0.00 179.97 179.01 1nwd h HIS 107 N 0.64 -0.83 -0.43 2.20 3.86 -1.10 -1.18 115.15 118.32 1nwd h HIS 107 Ca 0.23 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1nwd h HIS 107 Cb 0.06 0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1nwd h HIS 107 CO -0.07 -0.44 0.28 -0.24 0.86 0.00 0.00 177.93 178.33 1nwd h VAL 108 N -0.70 1.11 0.39 2.45 3.04 -1.45 -0.78 116.25 120.31 1nwd h VAL 108 Ca -0.06 -0.20 -0.02 0.00 -1.01 0.00 0.00 66.70 65.42 1nwd h VAL 108 Cb 0.57 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1nwd h VAL 108 CO 0.03 0.10 -0.19 0.24 -1.01 0.00 0.00 177.57 176.74 1nwd h MET 109 N 0.57 -0.51 -0.24 4.17 2.07 -1.49 -3.32 114.93 116.18 1nwd h MET 109 Ca 0.16 0.03 0.07 0.00 -2.07 0.00 0.00 59.70 57.89 1nwd h MET 109 Cb -0.06 0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.77 1nwd h MET 109 CO -0.03 -0.34 0.25 1.15 1.07 0.00 0.00 176.91 179.00 1nwd h THR 110 N -0.77 0.51 -0.95 2.22 2.02 -0.99 -2.26 112.91 112.69 1nwd h THR 110 Ca -0.05 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.32 1nwd h THR 110 Cb 0.40 0.81 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 1nwd h THR 110 CO 0.09 0.00 0.54 -1.13 0.37 0.00 0.00 175.52 175.39 1nwd h ASN 111 N 0.00 0.66 0.73 4.18 -1.24 -1.24 -2.16 115.58 116.51 1nwd h ASN 111 Ca 0.12 0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.20 1nwd h ASN 111 Cb 0.61 -0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.67 1nwd h ASN 111 CO -0.00 0.21 -0.35 -0.07 -1.29 0.00 0.00 177.43 175.93 1nwd h LEU 112 N 0.67 -0.83 0.00 0.34 4.07 -1.57 -3.48 115.31 114.50 1nwd h LEU 112 Ca 0.56 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.55 1nwd h LEU 112 Cb 0.90 0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1nwd h LEU 112 CO -0.41 -0.54 0.00 0.61 -1.08 0.00 0.00 178.44 177.02 1nwd n GLY 113 N -1.13 -1.13 2.82 0.83 0.00 -0.81 -5.14 105.19 100.62 1nwd n GLY 113 Ca -0.12 0.50 -0.07 0.00 0.00 0.00 0.00 46.02 46.33 1nwd n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nwd s GLU 114 N 0.00 0.96 -0.93 1.61 -1.05 -1.23 -5.01 118.70 113.05 1nwd s GLU 114 Ca 0.00 -0.99 -0.24 0.00 -0.15 0.00 0.00 54.97 53.58 1nwd s GLU 114 Cb 0.00 -0.23 -0.06 0.00 -0.44 0.00 0.00 34.13 33.40 1nwd s GLU 114 CO 0.00 -1.29 1.97 0.15 0.95 0.00 0.00 175.26 177.04 1nwd s LYS 115 N 1.04 2.48 0.08 -4.83 -0.14 -1.26 -4.29 119.74 112.82 1nwd s LYS 115 Ca 0.26 -0.36 0.06 0.00 -1.36 0.00 0.00 55.97 54.57 1nwd s LYS 115 Cb -0.02 -5.07 -0.03 0.00 -1.68 0.00 0.00 37.83 31.03 1nwd s LYS 115 CO -0.07 -3.54 -0.16 -0.51 -0.76 0.00 0.00 175.35 170.31 1nwd s LEU 116 N 10.55 2.28 0.54 3.17 1.43 -1.26 -5.15 118.68 130.24 1nwd s LEU 116 Ca 0.71 -0.63 -0.20 0.00 -1.03 0.00 0.00 54.13 52.98 1nwd s LEU 116 Cb -0.06 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 1nwd s LEU 116 CO 0.02 -0.04 1.17 0.28 0.23 0.00 0.00 176.35 178.00 1nwd s THR 117 N -1.24 2.96 0.20 5.49 -1.32 -1.26 -4.98 115.64 115.49 1nwd s THR 117 Ca 0.00 0.62 -0.01 0.00 -1.21 0.00 0.00 61.69 61.09 1nwd s THR 117 Cb -0.10 -3.26 -0.06 0.00 -1.51 0.00 0.00 72.50 67.57 1nwd s THR 117 CO 0.03 -0.11 1.50 -0.78 -2.21 0.00 0.00 174.62 173.06 1nwd h ASP 118 N 1.26 0.53 -0.91 8.08 1.82 -2.01 -3.28 116.42 121.91 1nwd h ASP 118 Ca -0.50 -0.30 0.21 0.00 -0.39 0.00 0.00 57.03 56.05 1nwd h ASP 118 Cb 1.27 -0.15 -0.07 0.00 0.68 0.00 0.00 39.33 41.06 1nwd h ASP 118 CO 0.57 1.00 0.60 1.05 -1.61 0.00 0.00 179.24 180.85 1nwd h GLU 119 N 0.35 0.37 -0.70 0.28 4.11 -1.98 -0.35 114.58 116.66 1nwd h GLU 119 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.36 59.39 1nwd h GLU 119 Cb 1.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1nwd h GLU 119 CO 0.11 0.24 0.37 0.93 0.07 0.00 0.00 179.01 180.73 1nwd h GLU 120 N 0.38 0.98 0.08 1.06 5.08 -1.98 -0.30 114.58 119.88 1nwd h GLU 120 Ca 0.47 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1nwd h GLU 120 Cb 1.22 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1nwd h GLU 120 CO -0.17 0.75 -0.04 0.28 -1.00 0.00 0.00 179.01 178.83 1nwd h VAL 121 N 0.96 0.96 -0.92 3.13 2.07 -1.28 -3.29 116.25 117.87 1nwd h VAL 121 Ca 0.24 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1nwd h VAL 121 Cb 0.06 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 1nwd h VAL 121 CO -0.04 0.03 0.60 -0.78 0.02 0.00 0.00 177.57 177.40 1nwd h ASP 122 N -0.15 1.02 -0.51 0.57 1.82 -0.95 -1.81 116.42 116.41 1nwd h ASP 122 Ca -0.01 -0.02 0.10 0.00 -0.39 0.00 0.00 57.03 56.71 1nwd h ASP 122 Cb 0.13 -0.24 -0.10 0.00 0.68 0.00 0.00 39.33 39.79 1nwd h ASP 122 CO 0.02 0.72 -0.31 -0.33 -1.61 0.00 0.00 179.24 177.72 1nwd h GLU 123 N 1.20 -0.18 -0.85 0.28 4.39 -1.14 -1.11 114.58 117.18 1nwd h GLU 123 Ca 0.35 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1nwd h GLU 123 Cb -0.06 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1nwd h GLU 123 CO -0.10 -0.12 0.00 0.00 -1.16 0.00 0.00 179.01 177.63 1nwd n MET 124 N -5.42 2.16 -0.06 2.33 0.00 -0.73 -1.54 117.12 113.85 1nwd n MET 124 Ca 0.03 -0.95 -0.06 0.00 0.00 0.00 0.00 57.70 56.72 1nwd n MET 124 Cb 0.34 -1.71 -0.02 0.00 0.00 0.00 0.00 33.22 31.83 1nwd n MET 124 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 1nwd n ILE 125 N 0.19 1.12 0.87 3.17 5.41 -0.52 -4.64 119.36 124.96 1nwd n ILE 125 Ca 0.08 0.23 0.00 0.00 1.00 0.00 0.00 62.75 64.07 1nwd n ILE 125 Cb 0.52 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 37.36 1nwd n ILE 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1nwd n ARG 126 N -3.93 0.87 0.02 0.38 1.74 -0.61 -2.05 116.66 113.10 1nwd n ARG 126 Ca -0.10 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.90 1nwd n ARG 126 Cb 0.36 -1.40 0.07 0.00 -1.02 0.00 0.00 32.46 30.47 1nwd n ARG 126 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1nwd h GLU 127 N 0.14 0.48 -0.08 5.56 4.11 -1.51 -3.42 114.58 119.85 1nwd h GLU 127 Ca 0.00 -0.31 -0.24 0.00 0.07 0.00 0.00 59.36 58.89 1nwd h GLU 127 Cb 0.48 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 29.61 1nwd h GLU 127 CO 0.00 0.91 -0.51 0.00 0.07 0.00 0.00 179.01 179.48 1nwd n ALA 128 N -2.51 -1.22 -2.79 1.06 0.00 -0.87 -5.11 120.51 109.09 1nwd n ALA 128 Ca -0.03 -1.49 -0.42 0.00 0.00 0.00 0.00 53.44 51.50 1nwd n ALA 128 Cb 0.61 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.65 5.92 -0.03 0.00 -1.08 -1.04 -4.61 116.67 114.17 1nwd s ASP 129 Ca 0.31 -1.11 -0.13 0.00 -0.52 0.00 0.00 52.55 51.11 1nwd s ASP 129 Cb 0.23 -2.09 -0.07 0.00 -1.46 0.00 0.00 42.92 39.53 1nwd s ASP 129 CO -0.23 -0.48 0.62 0.40 0.52 0.00 0.00 175.17 176.00 1nwd h ILE 130 N 5.81 0.00 -0.14 4.11 2.04 -1.93 -3.38 117.51 124.02 1nwd h ILE 130 Ca -0.26 -0.48 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1nwd h ILE 130 Cb 1.11 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1nwd h ILE 130 CO 0.74 0.00 0.07 0.44 0.00 0.00 0.00 178.15 179.40 1nwd h ASP 131 N -0.96 0.19 -3.38 1.72 5.19 -1.94 -3.48 116.42 113.74 1nwd h ASP 131 Ca -0.05 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1nwd h ASP 131 Cb 0.37 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.84 1nwd h ASP 131 CO 0.08 0.24 -0.04 0.61 -3.12 0.00 0.00 179.24 177.01 1nwd n GLY 132 N -0.84 -0.14 0.90 2.75 0.00 -1.26 -5.03 105.19 101.57 1nwd n GLY 132 Ca -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.32 -0.13 -3.27 1.61 5.75 -1.26 -5.03 116.55 112.89 1nwd n ASP 133 Ca -0.00 -1.74 -0.23 0.00 -0.01 0.00 0.00 54.79 52.81 1nwd n ASP 133 Cb 0.51 0.01 0.06 0.00 -1.03 0.00 0.00 41.12 40.66 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nwd n GLY 134 N 0.11 -0.52 3.30 6.12 0.00 -1.26 -5.01 105.19 107.92 1nwd n GLY 134 Ca -0.09 0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -6.00 1.67 -0.33 1.61 -0.21 -1.26 -3.72 119.66 111.41 1nwd s GLN 135 Ca 0.44 -1.91 -0.01 0.00 0.02 0.00 0.00 55.36 53.90 1nwd s GLN 135 Cb -0.19 0.33 0.12 0.00 1.00 0.00 0.00 33.01 34.27 1nwd s GLN 135 CO 0.55 -0.62 0.18 0.08 -2.12 0.00 0.00 175.29 173.36 1nwd s VAL 136 N -3.54 0.15 1.12 1.09 1.01 -0.55 -4.87 120.40 114.80 1nwd s VAL 136 Ca 0.39 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 1nwd s VAL 136 Cb 0.03 -1.13 0.26 0.00 0.00 0.00 0.00 36.38 35.54 1nwd s VAL 136 CO 0.24 -0.88 1.20 0.54 0.00 0.00 0.00 175.10 176.19 1nwd s ASN 137 N 1.42 1.71 0.10 3.32 2.20 -1.26 -2.27 114.94 120.16 1nwd s ASN 137 Ca 0.15 0.45 -0.32 0.00 -0.94 0.00 0.00 52.86 52.20 1nwd s ASN 137 Cb -0.20 -0.59 -0.12 0.00 -2.00 0.00 0.00 41.25 38.34 1nwd s ASN 137 CO -0.13 -3.62 1.59 0.22 -2.94 0.00 0.00 177.10 172.22 1nwd h TYR 138 N -2.24 -1.21 -0.36 1.54 5.03 -1.97 -0.65 116.97 117.12 1nwd h TYR 138 Ca -0.44 0.02 0.03 0.00 2.58 0.00 0.00 58.73 60.92 1nwd h TYR 138 Cb 1.27 0.50 -0.03 0.00 1.55 0.00 0.00 36.73 40.01 1nwd h TYR 138 CO -1.86 -0.55 0.18 1.05 -1.32 0.00 0.00 178.16 175.65 1nwd h GLU 139 N -0.74 0.35 -0.64 1.82 4.11 -1.96 -2.53 114.58 114.99 1nwd h GLU 139 Ca -0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1nwd h GLU 139 Cb 0.72 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1nwd h GLU 139 CO -0.19 0.23 0.27 1.49 0.07 0.00 0.00 179.01 180.88 1nwd h GLU 140 N 0.36 0.95 0.18 1.06 4.81 -1.89 -0.91 114.58 119.15 1nwd h GLU 140 Ca 0.15 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1nwd h GLU 140 Cb 0.06 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1nwd h GLU 140 CO -0.10 0.80 -0.19 0.35 -0.73 0.00 0.00 179.01 179.13 1nwd h PHE 141 N 0.90 -0.50 0.55 0.92 3.57 -0.95 -1.11 116.94 120.32 1nwd h PHE 141 Ca 0.22 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 1nwd h PHE 141 Cb 0.19 0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.13 1nwd h PHE 141 CO 0.01 -0.28 -0.26 0.28 -2.23 0.00 0.00 178.31 175.82 1nwd h VAL 142 N -0.41 0.40 -0.72 1.41 2.07 -1.40 -2.88 116.25 114.72 1nwd h VAL 142 Ca 0.00 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.34 1nwd h VAL 142 Cb 0.39 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1nwd h VAL 142 CO -0.05 0.04 0.47 -0.61 0.02 0.00 0.00 177.57 177.44 1nwd h GLN 143 N -0.92 0.64 -0.40 1.57 5.75 -1.17 0.23 115.11 120.81 1nwd h GLN 143 Ca -0.08 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.29 1nwd h GLN 143 Cb 0.63 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1nwd h GLN 143 CO 0.12 0.42 -0.14 1.98 -2.65 0.00 0.00 178.83 178.57 1nwd h MET 144 N 0.66 0.79 0.00 1.69 4.05 -1.24 -2.03 114.93 118.85 1nwd h MET 144 Ca 0.32 -0.32 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1nwd h MET 144 Cb 0.41 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.17 1nwd h MET 144 CO -0.11 0.94 -0.09 0.52 0.23 0.00 0.00 176.91 178.40 1nwd h MET 145 N 0.60 0.00 -1.94 0.39 2.86 -1.11 -3.31 114.93 112.42 1nwd h MET 145 Ca 0.10 0.00 -0.60 0.00 -2.06 0.00 0.00 59.70 57.14 1nwd h MET 145 Cb 0.67 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 31.92 1nwd h MET 145 CO 0.05 0.09 -0.63 2.41 1.06 0.00 0.00 176.91 179.89 1nwd n THR 146 N -3.23 2.83 -2.34 2.22 -1.04 0.72 -5.06 114.28 108.37 1nwd n THR 146 Ca 0.00 -5.29 -0.43 0.00 -2.04 0.00 0.00 64.05 56.29 1nwd n THR 146 Cb 0.35 -1.34 -0.02 0.00 -1.82 0.00 0.00 70.33 67.50 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nwd s ALA 147 N -3.53 3.25 0.00 2.41 0.00 -0.80 -4.73 121.76 118.36 1nwd s ALA 147 Ca 0.48 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1nwd s ALA 147 Cb 0.33 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1nwd s ALA 147 CO -0.17 -1.99 0.00 1.17 0.00 0.00 0.00 175.76 174.78