#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd h ASP 2 N 0.00 0.02 -3.87 0.00 3.58 -2.15 -3.44 116.42 110.55 1nwd h ASP 2 Ca 0.00 -0.04 -0.53 0.00 0.42 0.00 0.00 57.03 56.88 1nwd h ASP 2 Cb 0.00 -0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.14 1nwd h ASP 2 CO 0.00 0.05 0.75 -1.10 -2.88 0.00 0.00 179.24 176.06 1nwd s GLN 3 N -6.04 4.18 0.09 0.28 -1.52 -1.26 -5.04 119.66 110.35 1nwd s GLN 3 Ca -0.13 2.47 -0.08 0.00 -1.95 0.00 0.00 55.36 55.67 1nwd s GLN 3 Cb 0.06 -3.00 -0.01 0.00 -0.22 0.00 0.00 33.01 29.84 1nwd s GLN 3 CO 0.66 -0.44 0.17 -0.48 -0.25 0.00 0.00 175.29 174.95 1nwd s LEU 4 N -1.87 1.50 -0.06 2.90 0.05 -1.26 -5.18 118.68 114.76 1nwd s LEU 4 Ca 0.52 -0.71 -0.01 0.00 0.05 0.00 0.00 54.13 53.99 1nwd s LEU 4 Cb -0.45 0.96 -0.03 0.00 -2.05 0.00 0.00 46.19 44.62 1nwd s LEU 4 CO 0.59 -0.73 -0.01 -0.89 -0.55 0.00 0.00 176.35 174.76 1nwd s THR 5 N -3.88 4.18 0.60 5.48 2.01 -1.26 -5.02 115.64 117.75 1nwd s THR 5 Ca 0.06 -0.36 0.31 0.00 0.31 0.00 0.00 61.69 62.01 1nwd s THR 5 Cb 0.05 -2.77 0.36 0.00 0.01 0.00 0.00 72.50 70.15 1nwd s THR 5 CO -0.10 0.55 2.25 -0.08 -0.69 0.00 0.00 174.62 176.55 1nwd h GLU 6 N 4.99 0.00 -0.96 4.92 4.81 -2.02 -2.82 114.58 123.50 1nwd h GLU 6 Ca -0.50 0.00 0.29 0.00 -0.13 0.00 0.00 59.36 59.02 1nwd h GLU 6 Cb 1.19 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.42 1nwd h GLU 6 CO 0.55 0.00 0.41 1.49 -0.73 0.00 0.00 179.01 180.73 1nwd h GLU 7 N 0.00 0.24 0.11 1.92 4.81 -1.99 -1.05 114.58 118.62 1nwd h GLU 7 Ca 0.01 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1nwd h GLU 7 Cb 0.06 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1nwd h GLU 7 CO -0.00 0.16 -0.05 1.96 -0.73 0.00 0.00 179.01 180.35 1nwd h GLN 8 N 0.24 -0.14 -0.43 1.92 4.20 -1.94 -1.54 115.11 117.44 1nwd h GLN 8 Ca 0.67 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.43 1nwd h GLN 8 Cb 1.48 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 29.25 1nwd h GLN 8 CO -0.65 0.01 0.17 0.82 -0.67 0.00 0.00 178.83 178.51 1nwd h ILE 9 N -0.26 0.91 -0.57 2.54 2.04 -1.47 -2.49 117.51 118.20 1nwd h ILE 9 Ca -0.01 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1nwd h ILE 9 Cb 0.21 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1nwd h ILE 9 CO 0.02 0.07 0.30 0.00 0.00 0.00 0.00 178.15 178.54 1nwd h ALA 10 N 1.26 0.75 0.40 1.87 0.00 -1.15 -0.69 119.26 121.69 1nwd h ALA 10 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1nwd h ALA 10 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nwd h ALA 10 CO -0.18 -0.04 -0.32 1.49 0.00 0.00 0.00 179.25 180.21 1nwd h GLU 11 N 0.57 -0.69 -0.59 0.00 4.22 -0.91 -2.13 114.58 115.05 1nwd h GLU 11 Ca 0.26 0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.70 1nwd h GLU 11 Cb 0.16 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1nwd h GLU 11 CO -0.17 -0.46 0.21 0.74 -2.18 0.00 0.00 179.01 177.15 1nwd h PHE 12 N -0.72 0.88 0.32 0.92 0.04 -1.35 -1.83 116.94 115.19 1nwd h PHE 12 Ca -0.04 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.67 1nwd h PHE 12 Cb 0.62 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1nwd h PHE 12 CO -0.15 0.69 -0.24 -0.22 -0.60 0.00 0.00 178.31 177.79 1nwd h LYS 13 N 0.85 -0.55 -0.19 1.51 3.64 -1.00 -1.05 116.57 119.79 1nwd h LYS 13 Ca 0.20 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1nwd h LYS 13 Cb 0.20 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1nwd h LYS 13 CO -0.01 -0.36 0.00 1.49 -2.27 0.00 0.00 179.45 178.30 1nwd h GLU 14 N -0.57 0.06 -0.20 1.90 4.81 -1.28 -1.70 114.58 117.61 1nwd h GLU 14 Ca -0.02 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1nwd h GLU 14 Cb 0.49 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 1nwd h GLU 14 CO -0.01 0.04 -0.25 0.00 -0.73 0.00 0.00 179.01 178.07 1nwd h ALA 15 N 1.15 -0.17 -0.26 2.92 0.00 -1.24 -1.20 119.26 120.45 1nwd h ALA 15 Ca 0.09 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1nwd h ALA 15 Cb 0.10 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1nwd h ALA 15 CO -0.14 -0.69 -0.08 0.35 0.00 0.00 0.00 179.25 178.69 1nwd h PHE 16 N -0.28 -0.18 -0.11 0.00 3.57 -1.04 -2.35 116.94 116.56 1nwd h PHE 16 Ca 0.12 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1nwd h PHE 16 Cb 0.47 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.32 1nwd h PHE 16 CO -0.38 -0.13 0.08 0.77 -2.23 0.00 0.00 178.31 176.41 1nwd h SER 17 N -0.02 0.02 0.35 0.41 0.02 -0.88 -1.09 113.55 112.36 1nwd h SER 17 Ca 0.13 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1nwd h SER 17 Cb 0.22 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1nwd h SER 17 CO -0.28 0.01 -0.17 0.25 -1.14 0.00 0.00 176.83 175.50 1nwd h LEU 18 N 0.02 -0.40 0.38 5.07 6.46 -0.67 -3.17 115.31 123.00 1nwd h LEU 18 Ca 0.05 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 1nwd h LEU 18 Cb 0.18 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.21 1nwd h LEU 18 CO -0.00 -0.22 -0.21 -0.26 -0.62 0.00 0.00 178.44 177.13 1nwd h PHE 19 N -0.56 -0.54 -1.51 1.25 -1.00 -1.42 -3.35 116.94 109.81 1nwd h PHE 19 Ca -0.05 -0.01 -0.74 0.00 2.81 0.00 0.00 57.97 59.99 1nwd h PHE 19 Cb 0.42 0.19 -0.14 0.00 3.61 0.00 0.00 35.95 40.02 1nwd h PHE 19 CO -0.03 -0.33 1.88 -3.47 -1.61 0.00 0.00 178.31 174.75 1nwd n ASP 20 N -5.34 5.01 -0.06 2.17 2.03 -0.44 -4.77 116.55 115.15 1nwd n ASP 20 Ca -0.10 -3.01 0.02 0.00 0.52 0.00 0.00 54.79 52.21 1nwd n ASP 20 Cb 0.24 -1.56 0.33 0.00 -0.72 0.00 0.00 41.12 39.41 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 6.52 0.67 -0.39 -0.67 6.56 -1.70 -3.23 116.57 124.35 1nwd h LYS 21 Ca 0.39 -0.07 0.08 0.00 -1.06 0.00 0.00 60.65 59.98 1nwd h LYS 21 Cb 0.75 -0.14 -0.07 0.00 -0.57 0.00 0.00 32.23 32.21 1nwd h LYS 21 CO 1.48 0.51 -0.07 -0.44 -2.06 0.00 0.00 179.45 178.87 1nwd h ASP 22 N 0.68 -0.30 0.00 0.86 5.19 -1.90 -3.47 116.42 117.48 1nwd h ASP 22 Ca 0.17 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1nwd h ASP 22 Cb 0.05 0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1nwd h ASP 22 CO -0.03 -0.10 0.00 0.61 -3.12 0.00 0.00 179.24 176.60 1nwd n GLY 23 N -1.29 2.41 0.31 2.75 0.00 -1.22 -4.97 105.19 103.18 1nwd n GLY 23 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 1nwd n GLY 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nwd h ASP 24 N 0.00 0.74 -1.57 1.61 3.32 -1.91 -3.47 116.42 115.14 1nwd h ASP 24 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1nwd h ASP 24 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1nwd h ASP 24 CO 0.00 0.46 0.00 0.61 -1.72 0.00 0.00 179.24 178.59 1nwd n GLY 25 N -1.32 0.48 2.51 2.75 0.00 -1.26 -5.07 105.19 103.28 1nwd n GLY 25 Ca 0.12 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.63 0.03 -0.34 2.61 -4.23 -1.26 -3.99 115.64 105.83 1nwd s THR 26 Ca 0.00 -2.03 -0.28 0.00 -1.18 0.00 0.00 61.69 58.20 1nwd s THR 26 Cb 0.00 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 1nwd s THR 26 CO 0.00 -0.94 2.12 -0.63 -0.54 0.00 0.00 174.62 174.63 1nwd s ILE 27 N 0.54 3.16 0.47 2.99 1.01 -0.15 -4.74 121.20 124.48 1nwd s ILE 27 Ca 0.28 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.11 1nwd s ILE 27 Cb -0.04 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1nwd s ILE 27 CO -0.12 -0.19 0.02 0.28 0.00 0.00 0.00 174.94 174.93 1nwd s THR 28 N 8.83 1.52 0.20 2.92 -1.32 -1.26 -1.25 115.64 125.27 1nwd s THR 28 Ca 0.92 -1.98 -0.11 0.00 -1.21 0.00 0.00 61.69 59.30 1nwd s THR 28 Cb -0.25 -2.51 0.12 0.00 -1.51 0.00 0.00 72.50 68.36 1nwd s THR 28 CO 0.32 0.00 1.85 0.71 -2.21 0.00 0.00 174.62 175.29 1nwd h THR 29 N 1.50 1.12 -0.22 5.08 1.35 -1.87 -2.67 112.91 117.19 1nwd h THR 29 Ca -0.44 -0.29 0.04 0.00 -0.55 0.00 0.00 66.41 65.18 1nwd h THR 29 Cb 1.28 0.20 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 1nwd h THR 29 CO 0.76 0.15 -0.03 0.50 -0.25 0.00 0.00 175.52 176.66 1nwd h LYS 30 N 0.84 0.03 -0.42 4.72 1.63 -1.97 -1.56 116.57 119.83 1nwd h LYS 30 Ca 0.26 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.05 1nwd h LYS 30 Cb -0.02 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1nwd h LYS 30 CO -0.09 0.02 0.23 0.93 -3.45 0.00 0.00 179.45 177.09 1nwd h GLU 31 N 0.03 0.59 -0.33 1.90 5.08 -1.93 -0.97 114.58 118.94 1nwd h GLU 31 Ca 0.11 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1nwd h GLU 31 Cb 0.15 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1nwd h GLU 31 CO -0.20 0.48 -0.20 1.25 -1.00 0.00 0.00 179.01 179.34 1nwd h LEU 32 N 0.55 -0.65 -0.10 1.33 7.12 -1.23 -2.02 115.31 120.31 1nwd h LEU 32 Ca 0.15 0.14 0.04 0.00 0.13 0.00 0.00 57.88 58.34 1nwd h LEU 32 Cb 0.06 0.34 -0.06 0.00 -0.53 0.00 0.00 40.66 40.47 1nwd h LEU 32 CO -0.02 -0.23 -0.26 1.23 -0.13 0.00 0.00 178.44 179.03 1nwd h GLY 33 N -0.15 -0.32 0.27 3.75 0.00 -1.07 -3.12 103.07 102.44 1nwd h GLY 33 Ca 0.17 0.32 0.12 0.00 0.00 0.00 0.00 47.33 47.93 1nwd h GLY 33 CO -0.43 -0.21 0.27 -0.84 0.00 0.00 0.00 176.54 175.33 1nwd h THR 34 N -0.35 0.72 -0.05 4.70 2.02 -0.53 0.01 112.91 119.42 1nwd h THR 34 Ca 0.09 -0.15 0.04 0.00 0.77 0.00 0.00 66.41 67.16 1nwd h THR 34 Cb 0.48 0.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 1nwd h THR 34 CO -0.29 0.08 -0.25 0.58 0.37 0.00 0.00 175.52 176.01 1nwd h VAL 35 N 0.43 0.42 -0.31 3.16 2.07 -1.32 -1.07 116.25 119.63 1nwd h VAL 35 Ca 0.36 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.74 1nwd h VAL 35 Cb 0.50 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1nwd h VAL 35 CO -0.36 0.00 -0.37 0.24 0.02 0.00 0.00 177.57 177.10 1nwd h MET 36 N -0.36 0.71 0.44 1.57 2.86 -1.46 -2.90 114.93 115.80 1nwd h MET 36 Ca 0.08 -0.35 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 1nwd h MET 36 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1nwd h MET 36 CO -0.25 0.97 -0.21 -0.09 1.06 0.00 0.00 176.91 178.38 1nwd h ARG 37 N 0.59 -0.57 -0.76 1.72 1.12 -0.63 -0.29 114.38 115.56 1nwd h ARG 37 Ca 0.06 0.04 0.17 0.00 -1.11 0.00 0.00 59.98 59.14 1nwd h ARG 37 Cb 0.90 0.13 -0.12 0.00 -0.01 0.00 0.00 29.97 30.87 1nwd h ARG 37 CO 0.08 -0.38 0.16 1.03 -3.11 0.00 0.00 179.97 177.75 1nwd h SER 38 N -0.60 -0.05 0.60 -3.80 0.87 -1.27 -3.03 113.55 106.26 1nwd h SER 38 Ca -0.06 0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1nwd h SER 38 Cb 0.46 0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.66 1nwd h SER 38 CO 0.10 -0.08 -0.29 0.25 -0.53 0.00 0.00 176.83 176.28 1nwd h LEU 39 N 0.23 -0.68 0.00 2.23 5.85 -1.25 -3.48 115.31 118.21 1nwd h LEU 39 Ca 0.43 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.18 1nwd h LEU 39 Cb 0.76 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1nwd h LEU 39 CO -0.56 -0.43 0.00 0.61 -0.34 0.00 0.00 178.44 177.72 1nwd n GLY 40 N -0.95 0.00 3.10 3.75 0.00 -0.25 -5.11 105.19 105.73 1nwd n GLY 40 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.29 -0.65 1.61 -0.21 -0.45 -5.01 119.66 115.23 1nwd s GLN 41 Ca 0.00 0.18 -0.02 0.00 0.02 0.00 0.00 55.36 55.54 1nwd s GLN 41 Cb 0.00 0.13 0.17 0.00 1.00 0.00 0.00 33.01 34.31 1nwd s GLN 41 CO 0.00 -0.05 0.47 1.21 -2.12 0.00 0.00 175.29 174.80 1nwd s ASN 42 N -0.13 5.20 0.27 5.90 2.47 -1.26 -2.38 114.94 125.00 1nwd s ASN 42 Ca -0.02 -3.03 -0.29 0.00 0.42 0.00 0.00 52.86 49.93 1nwd s ASN 42 Cb -0.02 -1.83 -0.09 0.00 -1.45 0.00 0.00 41.25 37.85 1nwd s ASN 42 CO 0.01 -0.32 1.19 -2.16 -3.72 0.00 0.00 177.10 172.10 1nwd s PRO 43 N -0.32 4.52 0.30 0.43 0.04 -1.26 -5.01 135.00 133.70 1nwd s PRO 43 Ca 0.19 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 1nwd s PRO 43 Cb -0.19 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.09 1nwd s PRO 43 CO -0.04 0.02 1.32 0.99 0.04 0.00 0.00 177.00 179.33 1nwd s THR 44 N -0.86 2.79 0.20 1.26 2.01 -1.26 -4.92 115.64 114.86 1nwd s THR 44 Ca 0.48 0.75 -0.10 0.00 0.31 0.00 0.00 61.69 63.13 1nwd s THR 44 Cb -0.35 -3.48 0.13 0.00 0.01 0.00 0.00 72.50 68.82 1nwd s THR 44 CO 0.43 0.16 1.81 1.05 -0.69 0.00 0.00 174.62 177.38 1nwd h GLU 45 N 3.94 0.65 -0.73 4.92 4.11 -2.00 -2.35 114.58 123.13 1nwd h GLU 45 Ca -0.48 -0.04 0.10 0.00 0.07 0.00 0.00 59.36 59.01 1nwd h GLU 45 Cb 1.22 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.25 1nwd h GLU 45 CO 0.69 0.43 0.36 0.00 0.07 0.00 0.00 179.01 180.56 1nwd h ALA 46 N 1.33 1.01 0.17 1.06 0.00 -2.02 -2.61 119.26 118.21 1nwd h ALA 46 Ca 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1nwd h ALA 46 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nwd h ALA 46 CO -0.17 -0.06 -0.08 0.93 0.00 0.00 0.00 179.25 179.87 1nwd h GLU 47 N 0.60 -0.22 -1.00 0.00 4.39 -1.83 -3.21 114.58 113.30 1nwd h GLU 47 Ca 0.36 0.02 0.22 0.00 0.34 0.00 0.00 59.36 60.30 1nwd h GLU 47 Cb 0.40 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.00 1nwd h GLU 47 CO -0.28 -0.07 0.62 -0.07 -1.16 0.00 0.00 179.01 178.04 1nwd h LEU 48 N -0.32 0.67 0.08 1.33 3.38 -1.08 -2.51 115.31 116.86 1nwd h LEU 48 Ca -0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nwd h LEU 48 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1nwd h LEU 48 CO 0.04 0.19 -0.04 -0.61 0.09 0.00 0.00 178.44 178.11 1nwd h GLN 49 N 0.62 -0.11 -0.81 1.13 4.15 -1.56 -3.36 115.11 115.18 1nwd h GLN 49 Ca 0.59 0.01 0.18 0.00 0.77 0.00 0.00 58.65 60.20 1nwd h GLN 49 Cb 1.12 0.02 -0.12 0.00 0.21 0.00 0.00 27.48 28.72 1nwd h GLN 49 CO -0.38 -0.07 0.27 0.22 -1.93 0.00 0.00 178.83 176.94 1nwd h ASP 50 N -0.16 0.15 -0.50 -0.69 3.58 -1.51 -1.89 116.42 115.39 1nwd h ASP 50 Ca -0.01 0.15 0.08 0.00 0.42 0.00 0.00 57.03 57.66 1nwd h ASP 50 Cb 0.09 0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 1nwd h ASP 50 CO 0.02 -0.02 0.15 0.00 -2.88 0.00 0.00 179.24 176.51 1nwd h MET 51 N 0.33 0.29 -0.08 0.28 -0.00 -1.63 -1.12 114.93 113.01 1nwd h MET 51 Ca 0.47 -0.02 -0.20 0.00 -0.00 0.00 0.00 59.70 59.96 1nwd h MET 51 Cb 0.85 -0.07 0.01 0.00 -0.00 0.00 0.00 31.60 32.39 1nwd h MET 51 CO -0.52 0.20 -0.72 0.82 -0.00 0.00 0.00 176.91 176.69 1nwd h ILE 52 N 0.30 1.33 0.00 -0.10 2.04 -1.54 -3.30 117.51 116.25 1nwd h ILE 52 Ca 0.24 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 64.10 1nwd h ILE 52 Cb 0.29 2.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1nwd h ILE 52 CO -0.28 0.61 0.00 0.59 0.00 0.00 0.00 178.15 179.08 1nwd n ASN 53 N -4.06 0.00 0.33 1.72 3.02 -0.77 -1.45 115.26 114.05 1nwd n ASN 53 Ca -0.09 0.47 0.21 0.00 -0.03 0.00 0.00 54.58 55.14 1nwd n ASN 53 Cb 0.72 -0.49 1.13 0.00 -0.61 0.00 0.00 39.78 40.54 1nwd n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1nwd h GLU 54 N 0.00 0.00 0.00 3.52 3.07 -1.29 -3.30 114.58 116.58 1nwd h GLU 54 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1nwd h GLU 54 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 1nwd h GLU 54 CO 0.00 0.00 -0.99 0.28 -1.40 0.00 0.00 179.01 176.90 1nwd n VAL 55 N -3.26 0.00 -1.66 3.13 0.31 -0.53 -3.26 118.33 113.05 1nwd n VAL 55 Ca -0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.89 1nwd n VAL 55 Cb 0.08 -0.20 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 1nwd n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nwd s ASP 56 N -2.45 5.19 0.21 4.52 2.15 -0.80 -3.69 116.67 121.79 1nwd s ASP 56 Ca 0.00 1.49 -0.11 0.00 0.43 0.00 0.00 52.55 54.37 1nwd s ASP 56 Cb 0.00 -2.51 0.15 0.00 -0.30 0.00 0.00 42.92 40.26 1nwd s ASP 56 CO 0.00 -2.23 1.87 0.00 -0.17 0.00 0.00 175.17 174.64 1nwd h ALA 57 N 16.14 0.92 -0.45 3.66 0.00 -1.89 -2.49 119.26 135.15 1nwd h ALA 57 Ca -0.34 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 1nwd h ALA 57 Cb 1.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1nwd h ALA 57 CO 1.04 0.32 0.18 -0.44 0.00 0.00 0.00 179.25 180.36 1nwd h ASP 58 N 0.97 0.62 -3.83 0.00 3.32 -1.94 -3.47 116.42 112.09 1nwd h ASP 58 Ca 0.27 -0.17 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 1nwd h ASP 58 Cb -0.09 -0.16 0.09 0.00 0.22 0.00 0.00 39.33 39.38 1nwd h ASP 58 CO -0.07 0.62 -0.39 0.61 -1.72 0.00 0.00 179.24 178.29 1nwd n GLY 59 N -0.78 0.05 0.43 2.75 0.00 -0.94 -4.99 105.19 101.70 1nwd n GLY 59 Ca 0.01 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.84 2.03 0.00 1.61 2.04 -1.26 -5.03 115.26 112.80 1nwd n ASN 60 Ca -0.12 -3.57 0.00 0.00 -0.44 0.00 0.00 54.58 50.45 1nwd n ASN 60 Cb 0.58 -0.50 0.00 0.00 -2.53 0.00 0.00 39.78 37.33 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 -1.23 2.23 3.73 4.83 0.00 -1.26 -4.95 105.19 108.53 1nwd n GLY 61 Ca 0.18 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 2.45 -0.21 2.61 -4.23 -1.26 -4.75 115.64 110.25 1nwd s THR 62 Ca 0.00 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.71 1nwd s THR 62 Cb 0.00 -2.77 0.06 0.00 1.34 0.00 0.00 72.50 71.13 1nwd s THR 62 CO 0.00 -0.12 -0.00 -0.63 -0.54 0.00 0.00 174.62 173.33 1nwd s ILE 63 N -2.05 0.95 0.45 2.99 1.01 -0.38 -4.90 121.20 119.25 1nwd s ILE 63 Ca 0.73 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 1nwd s ILE 63 Cb -0.28 -1.35 0.11 0.00 0.01 0.00 0.00 42.46 40.95 1nwd s ILE 63 CO 0.45 -0.16 0.53 -0.67 0.00 0.00 0.00 174.94 175.09 1nwd n ASP 64 N 4.89 -0.43 0.24 3.58 2.03 -1.26 -0.98 116.55 124.63 1nwd n ASP 64 Ca -0.10 -1.07 -0.16 0.00 0.52 0.00 0.00 54.79 53.98 1nwd n ASP 64 Cb 0.46 -0.43 -0.08 0.00 -0.72 0.00 0.00 41.12 40.35 1nwd n ASP 64 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1nwd h PHE 65 N -1.54 -0.53 -0.60 -0.67 3.04 -1.98 -0.11 116.94 114.54 1nwd h PHE 65 Ca -0.18 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.82 1nwd h PHE 65 Cb 0.51 0.17 -0.05 0.00 2.56 0.00 0.00 35.95 39.14 1nwd h PHE 65 CO 0.00 -0.31 0.31 -1.35 -2.02 0.00 0.00 178.31 174.95 1nwd h PRO 66 N -0.61 0.57 0.00 6.41 0.11 -1.96 -1.71 132.00 134.81 1nwd h PRO 66 Ca -0.06 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 1nwd h PRO 66 Cb 0.46 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1nwd h PRO 66 CO 0.10 0.38 -0.26 1.49 -0.21 0.00 0.00 178.00 179.49 1nwd h GLU 67 N 0.59 0.00 -0.04 1.05 4.57 -1.91 -1.45 114.58 117.38 1nwd h GLU 67 Ca 0.27 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.28 1nwd h GLU 67 Cb 0.19 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1nwd h GLU 67 CO -0.19 0.26 -0.66 0.35 -1.18 0.00 0.00 179.01 177.59 1nwd h PHE 68 N 0.00 0.75 -0.77 0.92 3.57 -0.47 0.02 116.94 120.96 1nwd h PHE 68 Ca -0.00 -0.38 0.06 0.00 3.53 0.00 0.00 57.97 61.18 1nwd h PHE 68 Cb 0.62 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.20 1nwd h PHE 68 CO 0.00 1.19 0.47 -0.07 -2.23 0.00 0.00 178.31 177.66 1nwd h LEU 69 N 0.10 0.72 -0.14 0.59 3.38 -1.15 -1.22 115.31 117.59 1nwd h LEU 69 Ca -0.07 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1nwd h LEU 69 Cb 1.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 1nwd h LEU 69 CO 0.13 0.47 0.01 0.74 0.09 0.00 0.00 178.44 179.88 1nwd h THR 70 N 0.86 0.92 0.26 0.22 2.02 -1.28 -3.01 112.91 112.89 1nwd h THR 70 Ca 0.34 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.49 1nwd h THR 70 Cb 0.16 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1nwd h THR 70 CO -0.17 0.01 -0.21 -0.03 0.37 0.00 0.00 175.52 175.49 1nwd h MET 71 N 0.06 -0.44 0.73 6.66 1.85 0.07 -0.43 114.93 123.43 1nwd h MET 71 Ca 0.06 0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 59.15 1nwd h MET 71 Cb 0.07 0.10 0.01 0.00 0.43 0.00 0.00 31.60 32.20 1nwd h MET 71 CO -0.10 -0.29 -0.35 0.52 -0.40 0.00 0.00 176.91 176.29 1nwd h MET 72 N -0.45 -0.94 0.14 0.39 2.86 -1.40 -3.13 114.93 112.39 1nwd h MET 72 Ca -0.03 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1nwd h MET 72 Cb 0.38 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.26 1nwd h MET 72 CO -0.00 -0.61 -0.07 0.00 1.06 0.00 0.00 176.91 177.29 1nwd h ALA 73 N -0.83 -0.21 0.36 6.32 0.00 -1.64 -3.41 119.26 119.86 1nwd h ALA 73 Ca -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1nwd h ALA 73 Cb 0.77 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1nwd h ALA 73 CO 0.16 -0.19 -0.17 0.00 0.00 0.00 0.00 179.25 179.05 1nwd h ARG 74 N -0.93 -0.47 -0.20 0.00 -0.00 -1.53 -3.48 114.38 107.77 1nwd h ARG 74 Ca -0.02 0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.49 1nwd h ARG 74 Cb 0.15 0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.22 1nwd h ARG 74 CO 0.03 -0.31 0.00 1.17 0.00 0.00 0.00 179.97 180.86 1nwd n LYS 75 N -4.67 0.00 0.00 0.04 0.00 -0.23 -4.25 118.16 109.05 1nwd n LYS 75 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 58.31 58.35 1nwd n LYS 75 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.22 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 -0.04 0.00 -1.25 1.64 1.56 -1.26 -4.71 117.12 113.05 1nwd n MET 76 Ca 0.00 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 57.06 1nwd n MET 76 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 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 1.48 2.49 -3.86 2.12 2.85 -1.20 -4.80 118.16 117.24 1nwd n LYS 77 Ca 0.00 -2.05 -0.09 0.00 -1.05 0.00 0.00 58.31 55.12 1nwd n LYS 77 Cb 0.00 -2.89 -0.07 0.00 -0.65 0.00 0.00 35.03 31.42 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 3.51 0.03 0.00 -5.58 1.01 -1.26 -4.72 116.67 109.67 1nwd s ASP 78 Ca 0.53 -0.67 -0.00 0.00 0.71 0.00 0.00 52.55 53.11 1nwd s ASP 78 Cb 0.14 0.40 -0.00 0.00 1.01 0.00 0.00 42.92 44.47 1nwd s ASP 78 CO -0.01 -0.81 0.89 0.71 0.21 0.00 0.00 175.17 176.15 1nwd h THR 79 N 2.61 0.00 -1.07 -1.27 1.35 -1.96 -3.33 112.91 109.23 1nwd h THR 79 Ca -0.33 -0.00 -0.74 0.00 -0.55 0.00 0.00 66.41 64.79 1nwd h THR 79 Cb 1.22 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 67.53 1nwd h THR 79 CO 0.52 0.00 2.51 0.47 -0.25 0.00 0.00 175.52 178.77 1nwd n ASP 80 N -2.05 8.00 -1.33 5.36 8.00 -1.26 -4.76 116.55 128.52 1nwd n ASP 80 Ca -0.00 -3.10 0.06 0.00 0.71 0.00 0.00 54.79 52.46 1nwd n ASP 80 Cb 0.01 -1.38 0.27 0.00 -0.02 0.00 0.00 41.12 39.99 1nwd n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1nwd n SER 81 N 1.94 3.88 0.07 -2.24 3.41 -1.25 -3.90 113.62 115.52 1nwd n SER 81 Ca 0.63 -2.47 -0.21 0.00 -0.26 0.00 0.00 58.87 56.56 1nwd n SER 81 Cb 0.25 -0.55 -0.15 0.00 -0.26 0.00 0.00 64.21 63.50 1nwd n SER 81 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1nwd h GLU 82 N 2.85 0.39 -0.39 4.33 4.11 -1.86 -3.25 114.58 120.76 1nwd h GLU 82 Ca 0.00 -0.63 0.11 0.00 0.07 0.00 0.00 59.36 58.91 1nwd h GLU 82 Cb 1.30 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 1nwd h GLU 82 CO 0.25 1.29 0.28 0.93 0.07 0.00 0.00 179.01 181.83 1nwd h GLU 83 N -0.18 0.03 -0.03 1.06 3.07 -1.92 -1.82 114.58 114.79 1nwd h GLU 83 Ca -0.17 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.60 1nwd h GLU 83 Cb 1.76 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.65 1nwd h GLU 83 CO 0.19 0.02 -0.40 0.93 -1.40 0.00 0.00 179.01 178.35 1nwd h GLU 84 N 0.03 0.07 -0.04 2.33 5.08 -1.75 -0.45 114.58 119.85 1nwd h GLU 84 Ca 0.18 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 1nwd h GLU 84 Cb 0.70 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 1nwd h GLU 84 CO -0.01 0.46 -0.90 0.82 -1.00 0.00 0.00 179.01 178.38 1nwd h ILE 85 N 0.06 1.36 -0.70 3.13 1.08 -1.39 -1.25 117.51 119.80 1nwd h ILE 85 Ca 0.00 -2.28 0.00 0.00 -0.39 0.00 0.00 64.86 62.19 1nwd h ILE 85 Cb 0.73 2.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.74 1nwd h ILE 85 CO 0.05 0.69 0.44 -0.09 -0.69 0.00 0.00 178.15 178.55 1nwd h ARG 86 N 0.32 0.93 0.18 2.37 2.43 -1.23 0.10 114.38 119.48 1nwd h ARG 86 Ca -0.08 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1nwd h ARG 86 Cb 1.52 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1nwd h ARG 86 CO 0.16 0.65 -0.14 1.49 -1.51 0.00 0.00 179.97 180.62 1nwd h GLU 87 N 0.95 -0.32 -0.18 0.20 4.81 -1.09 -2.55 114.58 116.40 1nwd h GLU 87 Ca 0.25 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 1nwd h GLU 87 Cb -0.06 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1nwd h GLU 87 CO -0.05 -0.21 0.13 0.00 -0.73 0.00 0.00 179.01 178.14 1nwd h ALA 88 N 0.47 2.07 0.31 2.92 0.00 -1.03 -2.64 119.26 121.36 1nwd h ALA 88 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nwd h ALA 88 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nwd h ALA 88 CO -0.01 -0.11 -0.15 0.74 0.00 0.00 0.00 179.25 179.73 1nwd h PHE 89 N 0.08 -0.38 0.00 0.00 0.04 -0.39 -1.42 116.94 114.87 1nwd h PHE 89 Ca 0.08 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 1nwd h PHE 89 Cb 0.22 0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1nwd h PHE 89 CO -0.00 -0.22 -0.20 0.07 -0.60 0.00 0.00 178.31 177.36 1nwd h ARG 90 N -0.44 0.00 0.57 1.51 0.11 -1.17 0.23 114.38 115.19 1nwd h ARG 90 Ca -0.04 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.01 1nwd h ARG 90 Cb 0.34 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.42 1nwd h ARG 90 CO 0.07 0.20 -0.27 0.28 0.10 0.00 0.00 179.97 180.34 1nwd h VAL 91 N 0.00 0.04 0.00 0.08 2.07 -1.39 -3.41 116.25 113.65 1nwd h VAL 91 Ca -0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1nwd h VAL 91 Cb 0.47 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1nwd h VAL 91 CO 0.03 0.01 0.00 0.49 0.02 0.00 0.00 177.57 178.11 1nwd n PHE 92 N -5.29 0.00 -2.40 1.57 3.01 -0.55 -4.79 117.46 109.01 1nwd n PHE 92 Ca -0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.95 1nwd n PHE 92 Cb 0.31 -0.40 -0.03 0.00 -0.01 0.00 0.00 39.48 39.35 1nwd n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1nwd s ASP 93 N -2.26 7.08 -0.49 4.37 2.15 0.81 -4.61 116.67 123.72 1nwd s ASP 93 Ca 0.00 2.09 -0.03 0.00 0.43 0.00 0.00 52.55 55.04 1nwd s ASP 93 Cb 0.00 -2.59 0.11 0.00 -0.30 0.00 0.00 42.92 40.14 1nwd s ASP 93 CO 0.00 -0.44 2.62 0.29 -0.17 0.00 0.00 175.17 177.48 1nwd n LYS 94 N 3.47 2.40 0.03 4.34 4.76 -1.26 -4.11 118.16 127.78 1nwd n LYS 94 Ca 0.07 -2.43 0.00 0.00 -2.87 0.00 0.00 58.31 53.08 1nwd n LYS 94 Cb 0.46 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 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 0.65 -0.52 -1.81 4.39 5.75 -1.26 -5.10 116.55 118.65 1nwd n ASP 95 Ca 0.48 0.35 -0.01 0.00 -0.01 0.00 0.00 54.79 55.60 1nwd n ASP 95 Cb 0.52 0.76 0.00 0.00 -1.03 0.00 0.00 41.12 41.37 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 -1.10 -0.70 0.83 6.12 0.00 -1.26 -4.93 105.19 104.16 1nwd n GLY 96 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.74 1.50 -3.57 1.61 6.94 -1.26 -4.97 115.26 114.77 1nwd n ASN 97 Ca 0.02 -3.29 -0.23 0.00 -0.02 0.00 0.00 54.58 51.06 1nwd n ASN 97 Cb 0.26 -0.45 0.08 0.00 -2.36 0.00 0.00 39.78 37.31 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 -0.65 -0.51 3.64 4.83 0.00 -1.26 -5.02 105.19 106.23 1nwd n GLY 98 Ca 0.15 0.22 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 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 -3.33 -0.85 -0.33 1.61 2.02 -1.26 -4.15 117.35 111.06 1nwd s TYR 99 Ca 0.46 1.76 0.04 0.00 -0.37 0.00 0.00 57.07 58.96 1nwd s TYR 99 Cb -0.20 0.49 0.10 0.00 -0.40 0.00 0.00 41.96 41.95 1nwd s TYR 99 CO 0.73 -0.42 0.04 0.42 -1.57 0.00 0.00 175.55 174.76 1nwd s ILE 100 N 1.31 2.24 0.81 2.71 1.01 -1.12 -4.77 121.20 123.39 1nwd s ILE 100 Ca -0.08 -2.29 -0.11 0.00 0.00 0.00 0.00 60.65 58.18 1nwd s ILE 100 Cb -0.05 -2.64 0.08 0.00 0.01 0.00 0.00 42.46 39.86 1nwd s ILE 100 CO -0.15 -0.57 1.12 -0.55 0.00 0.00 0.00 174.94 174.79 1nwd s SER 101 N 0.93 3.99 0.16 3.58 0.15 -1.26 -2.70 113.70 118.55 1nwd s SER 101 Ca 0.10 1.99 -0.15 0.00 0.70 0.00 0.00 55.95 58.58 1nwd s SER 101 Cb -0.19 -2.54 0.08 0.00 -1.71 0.00 0.00 66.02 61.66 1nwd s SER 101 CO -0.08 -2.38 1.78 0.00 1.20 0.00 0.00 173.24 173.76 1nwd h ALA 102 N -1.27 0.54 -0.71 5.45 0.00 -1.92 -0.18 119.26 121.18 1nwd h ALA 102 Ca -0.44 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.56 1nwd h ALA 102 Cb 1.25 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1nwd h ALA 102 CO 0.48 -0.14 0.46 0.00 0.00 0.00 0.00 179.25 180.06 1nwd h ALA 103 N 1.22 1.75 0.00 0.00 0.00 -1.93 -1.12 119.26 119.18 1nwd h ALA 103 Ca 0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 1nwd h ALA 103 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1nwd h ALA 103 CO -0.13 0.14 -0.99 0.93 0.00 0.00 0.00 179.25 179.20 1nwd h GLU 104 N 0.70 0.00 0.09 0.00 5.08 -1.78 -3.18 114.58 115.50 1nwd h GLU 104 Ca 0.31 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.39 1nwd h GLU 104 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1nwd h GLU 104 CO -0.10 0.50 -1.38 1.25 -1.00 0.00 0.00 179.01 178.28 1nwd h LEU 105 N 0.00 0.31 -0.95 1.33 6.46 -0.85 -3.34 115.31 118.27 1nwd h LEU 105 Ca -0.08 -0.39 -0.11 0.00 -0.12 0.00 0.00 57.88 57.18 1nwd h LEU 105 Cb 1.56 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 41.37 1nwd h LEU 105 CO 0.07 1.32 -0.49 0.08 -0.62 0.00 0.00 178.44 178.80 1nwd h ARG 106 N 0.05 0.07 0.38 1.25 0.11 -1.32 -3.26 114.38 111.67 1nwd h ARG 106 Ca -0.18 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.84 1nwd h ARG 106 Cb 1.97 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.05 1nwd h ARG 106 CO 0.16 0.55 -0.20 0.45 0.10 0.00 0.00 179.97 181.03 1nwd h HIS 107 N 0.06 -0.51 -0.96 4.08 3.86 -1.67 -0.18 115.15 119.83 1nwd h HIS 107 Ca -0.00 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.34 1nwd h HIS 107 Cb 0.89 0.17 -0.08 0.00 1.06 0.00 0.00 27.41 29.45 1nwd h HIS 107 CO 0.01 -0.32 0.61 -0.24 0.86 0.00 0.00 177.93 178.84 1nwd h VAL 108 N -0.53 0.84 0.00 2.45 3.04 -1.70 0.39 116.25 120.73 1nwd h VAL 108 Ca -0.05 -0.28 -0.05 0.00 -1.01 0.00 0.00 66.70 65.32 1nwd h VAL 108 Cb 0.42 -0.04 -0.01 0.00 -2.01 0.00 0.00 31.29 29.65 1nwd h VAL 108 CO 0.07 0.15 -0.22 0.24 -1.01 0.00 0.00 177.57 176.80 1nwd h MET 109 N 0.81 0.00 -0.00 4.17 2.07 -1.51 -3.15 114.93 117.33 1nwd h MET 109 Ca 0.49 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.92 1nwd h MET 109 Cb 0.68 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.40 1nwd h MET 109 CO -0.26 0.22 -0.88 1.15 1.07 0.00 0.00 176.91 178.22 1nwd h THR 110 N 0.00 1.47 0.57 2.22 2.02 0.93 0.98 112.91 121.10 1nwd h THR 110 Ca -0.00 -2.54 -0.03 0.00 0.77 0.00 0.00 66.41 64.61 1nwd h THR 110 Cb 0.64 2.43 0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1nwd h THR 110 CO 0.03 0.75 -0.27 0.78 0.37 0.00 0.00 175.52 177.17 1nwd h ASN 111 N 0.14 -0.65 -0.03 4.18 2.35 -1.39 0.09 115.58 120.27 1nwd h ASN 111 Ca -0.05 -0.01 -0.24 0.00 -0.55 0.00 0.00 56.30 55.45 1nwd h ASN 111 Cb 1.50 0.17 0.01 0.00 0.05 0.00 0.00 38.32 40.06 1nwd h ASN 111 CO 0.14 -0.41 -0.89 0.17 -1.65 0.00 0.00 177.43 174.78 1nwd h LEU 112 N -0.84 0.88 0.03 1.61 8.10 -1.66 -3.39 115.31 120.04 1nwd h LEU 112 Ca -0.08 -0.63 -0.27 0.00 0.11 0.00 0.00 57.88 57.00 1nwd h LEU 112 Cb 0.62 -0.26 -0.03 0.00 -0.44 0.00 0.00 40.66 40.54 1nwd h LEU 112 CO 0.13 1.43 -1.49 0.61 -4.11 0.00 0.00 178.44 175.01 1nwd n GLY 113 N 0.86 -0.76 2.38 0.17 0.00 0.34 -5.08 105.19 103.10 1nwd n GLY 113 Ca -0.09 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.92 1nwd n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nwd n GLU 114 N -4.19 -1.95 -1.69 1.61 1.02 0.02 -4.85 120.64 110.60 1nwd n GLU 114 Ca -0.33 1.80 -0.00 0.00 -0.02 0.00 0.00 57.16 58.61 1nwd n GLU 114 Cb 0.78 -4.21 -0.00 0.00 -0.02 0.00 0.00 31.44 27.99 1nwd n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1nwd n LYS 115 N -0.01 -0.56 -4.12 3.49 0.00 -1.26 -5.07 118.16 110.61 1nwd n LYS 115 Ca 0.05 0.87 -0.16 0.00 0.00 0.00 0.00 58.31 59.07 1nwd n LYS 115 Cb 0.18 -1.70 -0.12 0.00 0.00 0.00 0.00 35.03 33.40 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1nwd s LEU 116 N -0.26 2.28 -0.40 3.14 1.43 -1.26 -5.12 118.68 118.49 1nwd s LEU 116 Ca -0.00 -0.61 -0.29 0.00 -1.03 0.00 0.00 54.13 52.20 1nwd s LEU 116 Cb 0.00 -0.34 0.01 0.00 0.03 0.00 0.00 46.19 45.89 1nwd s LEU 116 CO 0.13 -0.15 1.34 0.42 0.23 0.00 0.00 176.35 178.31 1nwd s THR 117 N -1.46 4.00 -0.96 5.49 -4.23 -1.26 -4.92 115.64 112.30 1nwd s THR 117 Ca -0.05 1.05 0.01 0.00 -1.18 0.00 0.00 61.69 61.53 1nwd s THR 117 Cb -0.09 -4.27 0.07 0.00 1.34 0.00 0.00 72.50 69.56 1nwd s THR 117 CO 0.01 -0.75 0.62 -0.90 -0.54 0.00 0.00 174.62 173.07 1nwd n ASP 118 N 8.41 1.39 0.05 3.99 5.75 -1.26 -3.94 116.55 130.95 1nwd n ASP 118 Ca 0.15 -2.08 -0.14 0.00 -0.01 0.00 0.00 54.79 52.71 1nwd n ASP 118 Cb 0.48 -0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 40.02 1nwd n ASP 118 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1nwd h GLU 119 N 0.36 0.48 -0.67 0.11 4.11 -1.99 -1.99 114.58 115.00 1nwd h GLU 119 Ca 0.00 -0.49 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 1nwd h GLU 119 Cb 0.62 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1nwd h GLU 119 CO 0.04 1.13 0.32 0.93 0.07 0.00 0.00 179.01 181.51 1nwd h GLU 120 N 0.28 0.96 -0.06 1.06 3.07 -2.00 -1.39 114.58 116.50 1nwd h GLU 120 Ca -0.08 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 58.66 1nwd h GLU 120 Cb 1.55 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 29.26 1nwd h GLU 120 CO 0.16 0.76 -0.04 0.28 -1.40 0.00 0.00 179.01 178.77 1nwd h VAL 121 N 0.92 0.86 -0.62 3.13 2.07 -1.79 -2.17 116.25 118.64 1nwd h VAL 121 Ca 0.23 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.81 1nwd h VAL 121 Cb 0.11 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1nwd h VAL 121 CO -0.03 0.00 0.33 -0.78 0.02 0.00 0.00 177.57 177.11 1nwd h ASP 122 N -0.05 0.47 0.22 0.57 3.58 -1.26 -2.17 116.42 117.79 1nwd h ASP 122 Ca 0.04 0.04 0.01 0.00 0.42 0.00 0.00 57.03 57.53 1nwd h ASP 122 Cb 0.11 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 1nwd h ASP 122 CO -0.09 0.31 -0.26 -0.08 -2.88 0.00 0.00 179.24 176.24 1nwd h GLU 123 N 0.61 -0.51 0.00 0.28 4.57 -1.00 -2.28 114.58 116.25 1nwd h GLU 123 Ca 0.28 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1nwd h GLU 123 Cb 0.20 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1nwd h GLU 123 CO -0.19 -0.34 0.00 0.00 -1.18 0.00 0.00 179.01 177.30 1nwd n MET 124 N -5.38 0.04 0.10 1.92 0.00 -0.84 -1.00 117.12 111.96 1nwd n MET 124 Ca -0.08 0.10 -0.10 0.00 0.00 0.00 0.00 57.70 57.62 1nwd n MET 124 Cb 0.29 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.94 1nwd n MET 124 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1nwd h ILE 125 N 0.00 0.54 -0.10 3.17 2.04 -1.28 -3.34 117.51 118.54 1nwd h ILE 125 Ca 0.00 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 64.97 1nwd h ILE 125 Cb 0.37 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1nwd h ILE 125 CO 0.00 0.14 0.17 0.03 0.00 0.00 0.00 178.15 178.49 1nwd h ARG 126 N -0.95 0.00 -1.00 2.37 2.47 -0.77 -2.19 114.38 114.31 1nwd h ARG 126 Ca -0.03 0.00 0.20 0.00 -1.26 0.00 0.00 59.98 58.88 1nwd h ARG 126 Cb 0.48 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.69 1nwd h ARG 126 CO 0.06 0.00 0.60 0.93 0.56 0.00 0.00 179.97 182.12 1nwd h GLU 127 N 0.00 0.72 -1.37 0.04 4.39 -1.20 -3.28 114.58 113.88 1nwd h GLU 127 Ca 0.05 -0.04 -0.43 0.00 0.34 0.00 0.00 59.36 59.27 1nwd h GLU 127 Cb 0.39 -0.16 -0.30 0.00 -0.10 0.00 0.00 28.75 28.58 1nwd h GLU 127 CO -0.00 0.47 -0.86 0.00 -1.16 0.00 0.00 179.01 177.47 1nwd n ALA 128 N -2.33 0.99 -3.41 3.43 0.00 -0.87 -5.07 120.51 113.25 1nwd n ALA 128 Ca 0.24 -2.57 -0.44 0.00 0.00 0.00 0.00 53.44 50.66 1nwd n ALA 128 Cb 0.59 -1.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.97 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 -0.99 6.21 0.03 0.00 -1.08 -0.91 -4.65 116.67 115.28 1nwd s ASP 129 Ca 0.33 -2.26 -0.28 0.00 -0.52 0.00 0.00 52.55 49.83 1nwd s ASP 129 Cb 0.16 -2.14 -0.17 0.00 -1.46 0.00 0.00 42.92 39.31 1nwd s ASP 129 CO -0.16 -0.67 1.34 0.40 0.52 0.00 0.00 175.17 176.60 1nwd h ILE 130 N 5.46 0.46 -0.51 4.11 2.04 -1.94 -3.31 117.51 123.82 1nwd h ILE 130 Ca -0.10 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1nwd h ILE 130 Cb 1.06 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1nwd h ILE 130 CO 0.87 0.05 0.25 0.44 0.00 0.00 0.00 178.15 179.76 1nwd h ASP 131 N -0.87 0.66 -3.98 1.72 3.32 -1.93 -3.48 116.42 111.86 1nwd h ASP 131 Ca -0.07 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.82 1nwd h ASP 131 Cb 0.59 -0.17 0.03 0.00 0.22 0.00 0.00 39.33 40.00 1nwd h ASP 131 CO 0.11 0.60 -0.15 0.61 -1.72 0.00 0.00 179.24 178.69 1nwd n GLY 132 N -0.93 -0.36 0.00 2.75 0.00 -1.25 -5.02 105.19 100.38 1nwd n GLY 132 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.70 0.00 -2.37 1.61 5.75 -1.26 -5.03 116.55 113.56 1nwd n ASP 133 Ca -0.01 -1.00 -0.19 0.00 -0.01 0.00 0.00 54.79 53.58 1nwd n ASP 133 Cb 0.52 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.62 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 0.00 -0.38 3.38 6.12 0.00 -1.26 -5.02 105.19 108.03 1nwd n GLY 134 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.23 1.69 -0.31 1.61 -0.21 -1.26 -2.82 119.66 113.13 1nwd s GLN 135 Ca 0.13 -1.98 -0.02 0.00 0.02 0.00 0.00 55.36 53.51 1nwd s GLN 135 Cb -0.06 -0.24 0.11 0.00 1.00 0.00 0.00 33.01 33.82 1nwd s GLN 135 CO 0.16 -0.45 0.13 0.08 -2.12 0.00 0.00 175.29 173.09 1nwd s VAL 136 N -3.48 0.39 1.13 1.09 1.01 -1.10 -4.87 120.40 114.58 1nwd s VAL 136 Ca 0.33 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.98 1nwd s VAL 136 Cb 0.04 -1.31 0.26 0.00 0.00 0.00 0.00 36.38 35.37 1nwd s VAL 136 CO 0.17 -0.75 1.05 0.21 0.00 0.00 0.00 175.10 175.79 1nwd s ASN 137 N 1.72 1.35 0.08 3.32 2.47 -1.26 -2.78 114.94 119.84 1nwd s ASN 137 Ca 0.11 1.26 -0.30 0.00 0.42 0.00 0.00 52.86 54.35 1nwd s ASN 137 Cb -0.18 -1.95 -0.16 0.00 -1.45 0.00 0.00 41.25 37.52 1nwd s ASN 137 CO -0.27 -3.93 1.65 1.88 -3.72 0.00 0.00 177.10 172.72 1nwd h TYR 138 N -2.44 -0.63 -0.39 0.43 0.05 -1.99 0.08 116.97 112.09 1nwd h TYR 138 Ca -0.58 -0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.24 1nwd h TYR 138 Cb 1.34 0.22 -0.04 0.00 1.01 0.00 0.00 36.73 39.25 1nwd h TYR 138 CO -0.10 -0.37 0.12 0.93 -1.05 0.00 0.00 178.16 177.69 1nwd h GLU 139 N -0.61 0.27 -0.57 4.88 4.39 -1.96 -2.53 114.58 118.44 1nwd h GLU 139 Ca -0.05 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.66 1nwd h GLU 139 Cb 0.50 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 1nwd h GLU 139 CO 0.05 0.18 0.36 1.49 -1.16 0.00 0.00 179.01 179.93 1nwd h GLU 140 N 0.27 0.70 -0.42 2.33 4.81 -1.88 -1.54 114.58 118.86 1nwd h GLU 140 Ca 0.18 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1nwd h GLU 140 Cb 0.17 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1nwd h GLU 140 CO -0.19 0.47 0.10 0.35 -0.73 0.00 0.00 179.01 179.00 1nwd h PHE 141 N 0.72 0.16 0.55 0.92 3.57 -0.81 -2.06 116.94 120.00 1nwd h PHE 141 Ca 0.22 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1nwd h PHE 141 Cb -0.02 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 1nwd h PHE 141 CO -0.05 0.03 -0.34 0.28 -2.23 0.00 0.00 178.31 176.00 1nwd h VAL 142 N 0.24 0.31 -0.14 1.41 2.07 -1.13 -3.31 116.25 115.70 1nwd h VAL 142 Ca 0.20 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.69 1nwd h VAL 142 Cb 0.23 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1nwd h VAL 142 CO -0.25 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 178.82 1nwd h GLN 143 N -0.84 0.20 -0.49 1.57 1.08 -0.98 0.18 115.11 115.84 1nwd h GLN 143 Ca -0.07 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 1nwd h GLN 143 Cb 0.68 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.06 1nwd h GLN 143 CO 0.07 0.30 -0.03 0.00 -0.95 0.00 0.00 178.83 178.21 1nwd h MET 144 N 0.20 0.84 0.14 1.46 -0.00 -1.47 -2.22 114.93 113.88 1nwd h MET 144 Ca 0.04 -0.25 -0.29 0.00 -0.00 0.00 0.00 59.70 59.20 1nwd h MET 144 Cb 0.27 -0.09 0.02 0.00 -0.00 0.00 0.00 31.60 31.80 1nwd h MET 144 CO 0.01 0.87 -1.26 0.52 -0.00 0.00 0.00 176.91 177.05 1nwd h MET 145 N 0.78 0.44 -2.30 -0.10 2.86 -1.53 -3.37 114.93 111.71 1nwd h MET 145 Ca 0.14 -0.66 -0.77 0.00 -2.06 0.00 0.00 59.70 56.35 1nwd h MET 145 Cb 0.52 0.23 -0.29 0.00 0.06 0.00 0.00 31.60 32.11 1nwd h MET 145 CO 0.03 1.30 0.76 2.41 1.06 0.00 0.00 176.91 182.46 1nwd n THR 146 N -3.67 5.58 -2.54 2.22 -1.04 0.60 -4.95 114.28 110.49 1nwd n THR 146 Ca -0.11 -5.92 -0.43 0.00 -2.04 0.00 0.00 64.05 55.55 1nwd n THR 146 Cb 1.01 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nwd n ALA 147 N 0.01 4.88 0.40 2.41 0.00 -0.85 -4.53 120.51 122.84 1nwd n ALA 147 Ca 0.43 -4.29 0.03 0.00 0.00 0.00 0.00 53.44 49.61 1nwd n ALA 147 Cb 0.29 -3.00 0.19 0.00 0.00 0.00 0.00 19.45 16.92 1nwd n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86