#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 0.00 -2.50 0.00 3.32 -2.15 -3.46 116.42 111.64 1nwd h ASP 2 Ca 0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 1nwd h ASP 2 Cb 0.00 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.19 1nwd h ASP 2 CO 0.00 0.43 -0.68 -1.58 -1.72 0.00 0.00 179.24 175.69 1nwd s GLN 3 N -1.59 0.23 -0.08 3.56 -0.44 -1.26 -5.13 119.66 114.94 1nwd s GLN 3 Ca -0.04 -0.16 -0.30 0.00 -2.50 0.00 0.00 55.36 52.36 1nwd s GLN 3 Cb 0.01 -1.03 -0.02 0.00 -1.64 0.00 0.00 33.01 30.33 1nwd s GLN 3 CO 0.06 -0.90 1.00 -0.51 0.50 0.00 0.00 175.29 175.44 1nwd s LEU 4 N 2.26 4.27 0.05 3.68 1.43 -1.26 -5.06 118.68 124.05 1nwd s LEU 4 Ca 0.08 1.55 0.07 0.00 -1.03 0.00 0.00 54.13 54.80 1nwd s LEU 4 Cb -0.15 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1nwd s LEU 4 CO -0.27 -0.41 -0.16 -0.89 0.23 0.00 0.00 176.35 174.85 1nwd s THR 5 N 1.81 2.96 -0.39 5.49 2.01 -1.26 -5.04 115.64 121.22 1nwd s THR 5 Ca 0.49 -1.18 0.25 0.00 0.31 0.00 0.00 61.69 61.56 1nwd s THR 5 Cb -0.19 -2.28 0.28 0.00 0.01 0.00 0.00 72.50 70.32 1nwd s THR 5 CO 0.20 0.29 1.76 -0.08 -0.69 0.00 0.00 174.62 176.10 1nwd h GLU 6 N 4.33 0.00 -0.57 4.92 4.81 -2.01 -3.33 114.58 122.73 1nwd h GLU 6 Ca -0.48 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1nwd h GLU 6 Cb 1.16 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 1nwd h GLU 6 CO 0.49 0.00 0.19 0.93 -0.73 0.00 0.00 179.01 179.88 1nwd h GLU 7 N 0.00 0.34 0.12 1.92 5.08 -1.99 -1.10 114.58 118.95 1nwd h GLU 7 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1nwd h GLU 7 Cb 0.42 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1nwd h GLU 7 CO 0.00 0.23 -0.25 1.96 -1.00 0.00 0.00 179.01 179.95 1nwd h GLN 8 N 0.35 -0.44 -0.32 2.33 1.08 -2.01 -2.26 115.11 113.84 1nwd h GLN 8 Ca 0.29 0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.57 1nwd h GLN 8 Cb 0.36 0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 1nwd h GLN 8 CO -0.31 -0.29 0.01 0.82 -0.95 0.00 0.00 178.83 178.11 1nwd h ILE 9 N -0.45 0.77 0.12 2.54 2.04 -1.62 -1.05 117.51 119.86 1nwd h ILE 9 Ca 0.03 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1nwd h ILE 9 Cb 0.48 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1nwd h ILE 9 CO -0.14 0.02 -0.17 0.00 0.00 0.00 0.00 178.15 177.86 1nwd h ALA 10 N 1.27 -0.30 -0.14 1.87 0.00 -1.17 -1.52 119.26 119.28 1nwd h ALA 10 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nwd h ALA 10 Cb 0.21 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nwd h ALA 10 CO -0.25 -0.70 0.06 0.93 0.00 0.00 0.00 179.25 179.29 1nwd h GLU 11 N -0.34 0.21 -0.94 0.00 5.08 -1.18 -2.17 114.58 115.23 1nwd h GLU 11 Ca 0.02 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1nwd h GLU 11 Cb 0.34 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1nwd h GLU 11 CO -0.07 0.30 0.61 0.74 -1.00 0.00 0.00 179.01 179.59 1nwd h PHE 12 N 0.07 1.15 0.14 4.33 0.04 -1.20 -1.70 116.94 119.77 1nwd h PHE 12 Ca 0.05 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.85 1nwd h PHE 12 Cb 0.17 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1nwd h PHE 12 CO -0.02 0.66 -0.17 -0.22 -0.60 0.00 0.00 178.31 177.97 1nwd h LYS 13 N 1.18 -0.33 -0.80 1.51 3.64 -1.10 -2.92 116.57 117.75 1nwd h LYS 13 Ca 0.38 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.82 1nwd h LYS 13 Cb 0.02 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1nwd h LYS 13 CO -0.13 -0.22 0.50 0.93 -2.27 0.00 0.00 179.45 178.27 1nwd h GLU 14 N -0.34 0.94 -0.33 1.90 4.39 -1.05 -0.62 114.58 119.46 1nwd h GLU 14 Ca 0.01 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.72 1nwd h GLU 14 Cb 0.34 -0.21 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 1nwd h GLU 14 CO -0.06 0.62 -0.04 0.00 -1.16 0.00 0.00 179.01 178.37 1nwd h ALA 15 N 1.35 0.26 0.03 3.43 0.00 -1.22 -1.90 119.26 121.21 1nwd h ALA 15 Ca 0.33 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.35 1nwd h ALA 15 Cb 0.06 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1nwd h ALA 15 CO -0.13 -0.43 -0.01 0.35 0.00 0.00 0.00 179.25 179.02 1nwd h PHE 16 N 0.05 -0.04 -0.33 0.00 3.57 -1.32 -3.32 116.94 115.55 1nwd h PHE 16 Ca 0.16 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.69 1nwd h PHE 16 Cb 0.23 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1nwd h PHE 16 CO -0.27 0.48 0.14 0.77 -2.23 0.00 0.00 178.31 177.20 1nwd h SER 17 N -0.57 0.18 -0.82 0.41 0.02 -1.03 -0.53 113.55 111.22 1nwd h SER 17 Ca -0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1nwd h SER 17 Cb 0.53 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.03 1nwd h SER 17 CO 0.01 0.14 0.49 0.25 -1.14 0.00 0.00 176.83 176.58 1nwd h LEU 18 N 0.30 0.99 0.01 5.07 5.85 -1.50 -2.23 115.31 123.80 1nwd h LEU 18 Ca 0.14 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1nwd h LEU 18 Cb 0.09 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1nwd h LEU 18 CO -0.13 0.76 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.47 1nwd h PHE 19 N 1.13 -0.02 -0.40 1.25 0.04 -1.61 -3.34 116.94 113.99 1nwd h PHE 19 Ca 0.29 -0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.36 1nwd h PHE 19 Cb -0.04 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 1nwd h PHE 19 CO -0.00 0.05 2.75 -3.47 -0.60 0.00 0.00 178.31 177.03 1nwd n ASP 20 N -5.07 4.30 0.23 2.17 2.03 -0.22 -4.73 116.55 115.26 1nwd n ASP 20 Ca -0.07 -2.88 0.09 0.00 0.52 0.00 0.00 54.79 52.44 1nwd n ASP 20 Cb 0.06 -1.68 0.58 0.00 -0.72 0.00 0.00 41.12 39.36 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 6.50 0.00 0.94 -0.67 1.57 -1.70 -3.28 116.57 119.94 1nwd h LYS 21 Ca 0.52 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 59.25 1nwd h LYS 21 Cb 0.72 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.03 1nwd h LYS 21 CO 1.73 0.20 -0.46 -0.44 -0.57 0.00 0.00 179.45 179.91 1nwd h ASP 22 N 0.00 -1.10 0.00 0.86 5.19 -1.91 -3.48 116.42 115.98 1nwd h ASP 22 Ca -0.00 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1nwd h ASP 22 Cb 0.47 0.29 0.00 0.00 0.18 0.00 0.00 39.33 40.27 1nwd h ASP 22 CO 0.03 -0.78 0.00 0.61 -3.12 0.00 0.00 179.24 175.98 1nwd n GLY 23 N -1.64 3.10 0.32 2.75 0.00 -1.24 -5.00 105.19 103.48 1nwd n GLY 23 Ca -0.16 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 2.00 0.56 -1.46 1.61 3.04 -1.94 -3.47 116.42 116.76 1nwd h ASP 24 Ca 0.00 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 1nwd h ASP 24 Cb 0.00 0.02 0.00 0.00 -1.04 0.00 0.00 39.33 38.31 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 -1.33 0.82 3.15 7.15 0.00 -1.26 -5.05 105.19 108.67 1nwd n GLY 25 Ca 0.20 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.42 -0.55 -0.44 2.61 -4.23 -1.26 -3.88 115.64 105.46 1nwd s THR 26 Ca 0.00 0.21 -0.23 0.00 -1.18 0.00 0.00 61.69 60.49 1nwd s THR 26 Cb 0.00 -0.57 0.02 0.00 1.34 0.00 0.00 72.50 73.29 1nwd s THR 26 CO 0.00 0.09 0.76 -0.63 -0.54 0.00 0.00 174.62 174.29 1nwd s ILE 27 N 2.53 4.69 0.50 2.99 -1.09 -0.43 -4.81 121.20 125.58 1nwd s ILE 27 Ca -0.00 0.39 0.04 0.00 -2.23 0.00 0.00 60.65 58.85 1nwd s ILE 27 Cb -0.12 -4.29 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 1nwd s ILE 27 CO -0.11 -0.68 0.17 0.28 -1.23 0.00 0.00 174.94 173.37 1nwd s THR 28 N 3.19 1.55 0.21 2.92 -1.32 -1.26 -1.94 115.64 118.99 1nwd s THR 28 Ca 0.29 -1.78 -0.07 0.00 -1.21 0.00 0.00 61.69 58.92 1nwd s THR 28 Cb -0.13 -2.33 0.11 0.00 -1.51 0.00 0.00 72.50 68.65 1nwd s THR 28 CO 0.22 0.00 1.72 0.71 -2.21 0.00 0.00 174.62 175.06 1nwd h THR 29 N 1.18 1.26 -0.01 5.08 1.35 -1.97 -2.80 112.91 117.00 1nwd h THR 29 Ca -0.41 -1.00 0.03 0.00 -0.55 0.00 0.00 66.41 64.48 1nwd h THR 29 Cb 1.30 0.64 -0.05 0.00 -1.73 0.00 0.00 68.15 68.31 1nwd h THR 29 CO 0.68 0.38 -0.27 0.11 -0.25 0.00 0.00 175.52 176.17 1nwd h LYS 30 N 0.99 -0.38 -0.31 4.72 1.57 -1.97 -1.21 116.57 119.97 1nwd h LYS 30 Ca 0.20 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.05 1nwd h LYS 30 Cb 0.41 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1nwd h LYS 30 CO 0.01 -0.26 0.08 0.93 -0.57 0.00 0.00 179.45 179.64 1nwd h GLU 31 N -0.40 0.19 -0.72 3.15 5.08 -1.96 -0.40 114.58 119.53 1nwd h GLU 31 Ca 0.07 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 1nwd h GLU 31 Cb 0.49 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 1nwd h GLU 31 CO -0.24 0.13 0.40 1.25 -1.00 0.00 0.00 179.01 179.55 1nwd h LEU 32 N 0.20 0.59 0.40 1.33 7.12 -1.26 -0.59 115.31 123.10 1nwd h LEU 32 Ca 0.14 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 1nwd h LEU 32 Cb 0.14 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.19 1nwd h LEU 32 CO -0.18 0.37 -0.22 1.23 -0.13 0.00 0.00 178.44 179.52 1nwd h GLY 33 N 0.73 -0.60 0.58 3.75 0.00 -0.92 -3.15 103.07 103.45 1nwd h GLY 33 Ca 0.33 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.97 1nwd h GLY 33 CO -0.20 -0.22 0.33 -0.84 0.00 0.00 0.00 176.54 175.61 1nwd h THR 34 N -0.58 0.90 0.46 4.70 2.02 -0.25 0.12 112.91 120.28 1nwd h THR 34 Ca -0.05 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1nwd h THR 34 Cb 0.46 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1nwd h THR 34 CO 0.07 0.11 -0.46 0.58 0.37 0.00 0.00 175.52 176.19 1nwd h VAL 35 N 0.60 0.00 -0.84 3.16 2.07 -1.21 -0.79 116.25 119.23 1nwd h VAL 35 Ca 0.31 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.91 1nwd h VAL 35 Cb 0.27 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 1nwd h VAL 35 CO -0.22 0.00 0.55 0.24 0.02 0.00 0.00 177.57 178.15 1nwd h MET 36 N -0.91 0.82 -0.04 1.57 2.86 -1.45 -2.44 114.93 115.34 1nwd h MET 36 Ca -0.06 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1nwd h MET 36 Cb 0.79 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 1nwd h MET 36 CO -0.05 0.54 0.01 -0.09 1.06 0.00 0.00 176.91 178.37 1nwd h ARG 37 N 0.85 0.07 0.00 1.72 9.65 -0.32 0.70 114.38 127.06 1nwd h ARG 37 Ca 0.38 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 59.27 1nwd h ARG 37 Cb 0.37 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 1nwd h ARG 37 CO -0.15 0.32 -0.25 0.77 2.80 0.00 0.00 179.97 183.46 1nwd h SER 38 N -0.19 -0.75 0.10 -3.80 0.02 -0.98 -3.20 113.55 104.76 1nwd h SER 38 Ca 0.01 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1nwd h SER 38 Cb 0.29 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1nwd h SER 38 CO 0.00 -0.32 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.10 1nwd h LEU 39 N -0.40 -0.58 0.00 5.07 3.38 -1.41 -3.47 115.31 117.90 1nwd h LEU 39 Ca 0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1nwd h LEU 39 Cb 0.48 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1nwd h LEU 39 CO -0.22 -0.23 0.00 0.61 0.09 0.00 0.00 178.44 178.69 1nwd n GLY 40 N -1.20 -0.53 3.27 0.83 0.00 -0.32 -5.11 105.19 102.13 1nwd n GLY 40 Ca -0.04 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 0.44 -0.72 1.61 -0.21 0.09 -5.00 119.66 115.86 1nwd s GLN 41 Ca 0.00 0.55 0.02 0.00 0.02 0.00 0.00 55.36 55.95 1nwd s GLN 41 Cb 0.00 0.20 0.18 0.00 1.00 0.00 0.00 33.01 34.38 1nwd s GLN 41 CO 0.00 -0.06 0.54 1.21 -2.12 0.00 0.00 175.29 174.85 1nwd s ASN 42 N 0.30 5.14 0.69 5.90 2.47 -1.26 -2.28 114.94 125.90 1nwd s ASN 42 Ca -0.01 -3.60 -0.13 0.00 0.42 0.00 0.00 52.86 49.55 1nwd s ASN 42 Cb -0.03 -1.74 0.02 0.00 -1.45 0.00 0.00 41.25 38.04 1nwd s ASN 42 CO -0.01 -0.16 1.09 -2.16 -3.72 0.00 0.00 177.10 172.14 1nwd s PRO 43 N -1.12 2.68 -0.15 0.43 0.04 -1.26 -5.00 135.00 130.62 1nwd s PRO 43 Ca 0.24 1.24 -0.28 0.00 0.04 0.00 0.00 61.00 62.24 1nwd s PRO 43 Cb -0.10 -1.95 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1nwd s PRO 43 CO -0.12 -1.32 0.95 0.95 0.04 0.00 0.00 177.00 177.50 1nwd s THR 44 N -2.62 4.80 0.35 1.26 -4.23 -1.26 -4.97 115.64 108.97 1nwd s THR 44 Ca 0.64 1.89 0.04 0.00 -1.18 0.00 0.00 61.69 63.08 1nwd s THR 44 Cb -0.18 -4.25 0.28 0.00 1.34 0.00 0.00 72.50 69.69 1nwd s THR 44 CO 0.47 -0.02 1.98 1.05 -0.54 0.00 0.00 174.62 177.57 1nwd h GLU 45 N 7.24 0.80 -0.01 3.99 4.11 -1.99 -2.33 114.58 126.39 1nwd h GLU 45 Ca -0.28 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.11 1nwd h GLU 45 Cb 1.13 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1nwd h GLU 45 CO 0.87 0.53 -0.07 0.00 0.07 0.00 0.00 179.01 180.41 1nwd h ALA 46 N 1.60 -0.07 -0.64 1.06 0.00 -2.01 -3.09 119.26 116.10 1nwd h ALA 46 Ca 0.28 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1nwd h ALA 46 Cb 0.09 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1nwd h ALA 46 CO -0.08 -0.56 0.08 0.93 0.00 0.00 0.00 179.25 179.62 1nwd h GLU 47 N -0.12 1.08 -0.25 0.00 5.08 -1.85 -3.10 114.58 115.41 1nwd h GLU 47 Ca 0.03 -0.30 0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1nwd h GLU 47 Cb 0.17 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 1nwd h GLU 47 CO -0.08 1.01 -0.25 -0.07 -1.00 0.00 0.00 179.01 178.61 1nwd h LEU 48 N 0.99 -0.81 -1.12 1.33 3.38 -1.41 -2.37 115.31 115.30 1nwd h LEU 48 Ca 0.19 0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.34 1nwd h LEU 48 Cb 0.46 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.54 1nwd h LEU 48 CO 0.02 -0.29 0.60 -0.61 0.09 0.00 0.00 178.44 178.25 1nwd h GLN 49 N -0.26 1.11 -0.45 1.13 4.15 -1.51 -2.87 115.11 116.40 1nwd h GLN 49 Ca 0.14 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1nwd h GLN 49 Cb 0.47 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1nwd h GLN 49 CO -0.40 0.73 0.28 -0.44 -1.93 0.00 0.00 178.83 177.07 1nwd h ASP 50 N 1.14 0.45 -0.81 -0.69 3.32 -1.36 -1.81 116.42 116.66 1nwd h ASP 50 Ca 0.36 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.57 1nwd h ASP 50 Cb 0.01 -0.10 -0.15 0.00 0.22 0.00 0.00 39.33 39.31 1nwd h ASP 50 CO -0.11 0.32 -0.23 0.24 -1.72 0.00 0.00 179.24 177.74 1nwd h MET 51 N 0.55 -0.02 0.42 3.56 2.86 -1.28 -2.63 114.93 118.39 1nwd h MET 51 Ca 0.18 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 1nwd h MET 51 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1nwd h MET 51 CO -0.07 -0.01 -0.20 0.82 1.06 0.00 0.00 176.91 178.50 1nwd h ILE 52 N -0.02 0.42 -0.76 -1.22 1.08 -1.52 -3.36 117.51 112.13 1nwd h ILE 52 Ca 0.38 -0.57 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1nwd h ILE 52 Cb 0.60 0.62 -0.04 0.00 -3.07 0.00 0.00 36.82 34.93 1nwd h ILE 52 CO -0.84 0.08 0.44 0.78 -0.69 0.00 0.00 178.15 177.91 1nwd h ASN 53 N -0.96 0.93 -0.63 1.72 4.21 -1.04 -0.35 115.58 119.46 1nwd h ASN 53 Ca -0.06 -0.06 0.13 0.00 1.21 0.00 0.00 56.30 57.52 1nwd h ASN 53 Cb 0.56 -0.23 -0.10 0.00 -1.12 0.00 0.00 38.32 37.42 1nwd h ASN 53 CO 0.09 0.73 0.01 -0.33 -1.29 0.00 0.00 177.43 176.65 1nwd h GLU 54 N 1.06 0.12 0.06 0.81 4.39 -1.63 -3.14 114.58 116.25 1nwd h GLU 54 Ca 0.27 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1nwd h GLU 54 Cb -0.01 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1nwd h GLU 54 CO -0.05 0.08 -0.03 0.28 -1.16 0.00 0.00 179.01 178.14 1nwd h VAL 55 N 0.13 1.05 -4.04 3.13 2.07 -1.52 -3.39 116.25 113.67 1nwd h VAL 55 Ca 0.33 -1.56 -0.54 0.00 0.82 0.00 0.00 66.70 65.75 1nwd h VAL 55 Cb 0.53 1.90 0.12 0.00 -1.52 0.00 0.00 31.29 32.32 1nwd h VAL 55 CO -0.53 0.32 0.57 -0.62 0.02 0.00 0.00 177.57 177.33 1nwd s ASP 56 N -5.78 5.45 0.00 0.57 2.15 -0.21 -1.86 116.67 116.98 1nwd s ASP 56 Ca -0.12 2.62 0.00 0.00 0.43 0.00 0.00 52.55 55.48 1nwd s ASP 56 Cb -0.01 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 1nwd s ASP 56 CO 0.46 -1.44 0.11 0.00 -0.17 0.00 0.00 175.17 174.14 1nwd n ALA 57 N -0.98 -0.05 -0.03 3.66 0.00 -1.26 -4.38 120.51 117.47 1nwd n ALA 57 Ca 0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1nwd n ALA 57 Cb 0.46 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.30 1nwd n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1nwd h ASP 58 N 0.00 0.53 -4.25 0.00 3.04 -1.96 -3.48 116.42 110.30 1nwd h ASP 58 Ca 0.00 -0.02 -0.17 0.00 -3.24 0.00 0.00 57.03 53.59 1nwd h ASP 58 Cb 0.00 -0.13 0.11 0.00 -1.04 0.00 0.00 39.33 38.26 1nwd h ASP 58 CO 0.00 0.41 -0.47 0.61 -2.04 0.00 0.00 179.24 177.75 1nwd n GLY 59 N -1.41 -0.14 0.07 7.15 0.00 -1.26 -5.01 105.19 104.60 1nwd n GLY 59 Ca 0.04 0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1nwd n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nwd n ASN 60 N -2.35 1.81 0.00 1.61 5.03 -1.26 -5.05 115.26 115.05 1nwd n ASN 60 Ca -0.12 0.62 0.00 0.00 0.87 0.00 0.00 54.58 55.95 1nwd n ASN 60 Cb 0.59 -0.88 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 1nwd n ASN 60 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1nwd n GLY 61 N 1.60 1.50 2.38 7.41 0.00 -1.26 -5.08 105.19 111.73 1nwd n GLY 61 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1nwd n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nwd n THR 62 N -0.27 -0.50 -2.20 2.61 -2.24 -1.26 -4.44 114.28 105.98 1nwd n THR 62 Ca 0.00 -3.17 -0.36 0.00 -2.27 0.00 0.00 64.05 58.25 1nwd n THR 62 Cb 0.00 -0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 67.35 1nwd n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1nwd s ILE 63 N -0.52 3.51 1.27 2.28 -1.09 -0.82 -4.75 121.20 121.09 1nwd s ILE 63 Ca 0.34 0.01 -0.21 0.00 -2.23 0.00 0.00 60.65 58.56 1nwd s ILE 63 Cb 0.18 -4.27 0.32 0.00 -1.58 0.00 0.00 42.46 37.11 1nwd s ILE 63 CO -0.15 -1.22 1.09 -0.67 -1.23 0.00 0.00 174.94 172.75 1nwd n ASP 64 N 11.96 -2.32 -0.04 3.58 -0.08 -1.26 -1.32 116.55 127.07 1nwd n ASP 64 Ca 0.23 -1.15 -0.14 0.00 -1.51 0.00 0.00 54.79 52.22 1nwd n ASP 64 Cb 0.50 -1.02 -0.09 0.00 2.34 0.00 0.00 41.12 42.85 1nwd n ASP 64 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 1nwd h PHE 65 N -2.84 -1.51 -0.56 -0.67 3.04 -1.94 -1.09 116.94 111.36 1nwd h PHE 65 Ca -0.42 0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.53 1nwd h PHE 65 Cb 1.28 0.68 -0.02 0.00 2.56 0.00 0.00 35.95 40.45 1nwd h PHE 65 CO 0.00 -0.49 0.08 -1.00 -2.02 0.00 0.00 178.31 174.88 1nwd h PRO 66 N -0.49 0.91 -0.26 6.41 0.13 -1.96 -2.84 132.00 133.89 1nwd h PRO 66 Ca 0.04 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1nwd h PRO 66 Cb 0.61 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1nwd h PRO 66 CO -0.44 0.86 0.10 0.93 -0.23 0.00 0.00 178.00 179.22 1nwd h GLU 67 N 0.86 0.37 -0.07 0.86 5.08 -1.84 0.11 114.58 119.95 1nwd h GLU 67 Ca 0.18 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.31 1nwd h GLU 67 Cb 0.40 -0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1nwd h GLU 67 CO 0.01 0.32 -0.67 0.35 -1.00 0.00 0.00 179.01 178.02 1nwd h PHE 68 N 0.37 0.82 0.00 4.33 3.57 -0.98 -1.21 116.94 123.84 1nwd h PHE 68 Ca 0.09 -0.39 -0.05 0.00 3.53 0.00 0.00 57.97 61.15 1nwd h PHE 68 Cb 0.09 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1nwd h PHE 68 CO 0.00 1.20 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.99 1nwd h LEU 69 N 0.20 0.00 0.57 0.59 3.38 -1.30 -1.10 115.31 117.64 1nwd h LEU 69 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1nwd h LEU 69 Cb 1.33 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.08 1nwd h LEU 69 CO 0.14 0.23 -0.27 0.74 0.09 0.00 0.00 178.44 179.36 1nwd h THR 70 N 0.00 0.00 -0.94 0.22 2.02 -0.92 -0.88 112.91 112.40 1nwd h THR 70 Ca -0.00 -0.32 0.17 0.00 0.77 0.00 0.00 66.41 67.02 1nwd h THR 70 Cb 0.44 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.68 1nwd h THR 70 CO 0.03 0.00 -0.31 0.80 0.37 0.00 0.00 175.52 176.41 1nwd n MET 71 N -4.94 -0.16 0.00 6.66 0.00 -0.46 -0.56 117.12 117.66 1nwd n MET 71 Ca -0.09 1.46 0.00 0.00 -0.00 0.00 0.00 57.70 59.07 1nwd n MET 71 Cb 0.30 -2.18 0.00 0.00 0.00 0.00 0.00 33.22 31.34 1nwd n MET 71 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1nwd n MET 72 N -5.46 0.00 -0.05 2.12 2.00 -0.43 -4.22 117.12 111.09 1nwd n MET 72 Ca 0.12 0.39 -0.13 0.00 0.00 0.00 0.00 57.70 58.09 1nwd n MET 72 Cb 0.42 -1.17 -0.11 0.00 0.00 0.00 0.00 33.22 32.36 1nwd n MET 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nwd h ALA 73 N -2.00 -0.02 0.00 3.04 0.00 -1.04 -3.41 119.26 115.83 1nwd h ALA 73 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1nwd h ALA 73 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nwd h ALA 73 CO 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.13 1nwd h ARG 74 N -0.90 0.00 -0.18 0.00 -0.00 -1.18 -3.45 114.38 108.67 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 0.80 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.77 1nwd h ARG 74 CO 0.00 0.00 -0.05 1.17 0.00 0.00 0.00 179.97 181.10 1nwd n LYS 75 N -3.53 -0.22 -0.33 0.04 0.00 0.28 -4.02 118.16 110.37 1nwd n LYS 75 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 58.31 58.47 1nwd n LYS 75 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 35.03 34.86 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 -1.18 -0.88 -1.74 1.64 1.56 -1.24 -4.77 117.12 110.52 1nwd n MET 76 Ca 0.00 0.67 -0.19 0.00 -0.27 0.00 0.00 57.70 57.92 1nwd n MET 76 Cb 0.01 -0.83 -0.10 0.00 2.15 0.00 0.00 33.22 34.45 1nwd n MET 76 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1nwd s LYS 77 N -4.52 1.53 0.16 2.12 -2.85 -0.78 -4.80 119.74 110.61 1nwd s LYS 77 Ca 0.00 -0.66 -0.23 0.00 -1.00 0.00 0.00 55.97 54.08 1nwd s LYS 77 Cb 0.00 -5.06 0.07 0.00 -2.06 0.00 0.00 37.83 30.78 1nwd s LYS 77 CO 0.00 -5.11 0.61 0.34 0.10 0.00 0.00 175.35 171.28 1nwd s ASP 78 N 7.92 -0.56 0.00 0.03 2.15 -1.26 -4.94 116.67 120.01 1nwd s ASP 78 Ca 0.78 -0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.73 1nwd s ASP 78 Cb -0.04 0.60 0.00 0.00 -0.30 0.00 0.00 42.92 43.19 1nwd s ASP 78 CO 0.17 -0.98 0.00 0.35 -0.17 0.00 0.00 175.17 174.54 1nwd n THR 79 N -0.38 0.00 -1.90 1.71 -2.24 -1.26 -4.44 114.28 105.77 1nwd n THR 79 Ca -0.16 0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.39 1nwd n THR 79 Cb 0.65 -0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 67.97 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 0.00 6.03 -0.97 3.42 5.75 -1.26 -4.80 116.55 124.72 1nwd n ASP 80 Ca 0.00 -2.94 0.01 0.00 -0.01 0.00 0.00 54.79 51.85 1nwd n ASP 80 Cb 0.00 -1.52 0.12 0.00 -1.03 0.00 0.00 41.12 38.68 1nwd n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1nwd n SER 81 N 4.02 2.51 -0.27 -1.12 3.41 -1.26 -4.01 113.62 116.90 1nwd n SER 81 Ca 0.55 -2.30 0.05 0.00 -0.26 0.00 0.00 58.87 56.91 1nwd n SER 81 Cb 0.32 -0.56 0.19 0.00 -0.26 0.00 0.00 64.21 63.91 1nwd n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1nwd h GLU 82 N 1.11 0.53 0.00 4.33 4.39 -1.87 -2.09 114.58 120.99 1nwd h GLU 82 Ca 0.02 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1nwd h GLU 82 Cb 1.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1nwd h GLU 82 CO 0.17 0.35 -0.25 0.93 -1.16 0.00 0.00 179.01 179.06 1nwd h GLU 83 N 0.55 0.00 -0.49 2.33 4.39 -1.90 -3.32 114.58 116.15 1nwd h GLU 83 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1nwd h GLU 83 Cb 0.59 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1nwd h GLU 83 CO -0.36 0.25 0.32 0.93 -1.16 0.00 0.00 179.01 178.98 1nwd h GLU 84 N 0.00 0.64 -0.04 2.33 3.07 -1.61 0.12 114.58 119.10 1nwd h GLU 84 Ca -0.00 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1nwd h GLU 84 Cb 0.44 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1nwd h GLU 84 CO 0.03 0.43 0.02 0.82 -1.40 0.00 0.00 179.01 178.91 1nwd h ILE 85 N 0.66 1.07 -0.95 3.13 1.08 -1.70 -1.12 117.51 119.68 1nwd h ILE 85 Ca 0.18 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.53 1nwd h ILE 85 Cb -0.07 1.13 -0.07 0.00 -3.07 0.00 0.00 36.82 34.74 1nwd h ILE 85 CO -0.04 0.06 0.60 -0.09 -0.69 0.00 0.00 178.15 177.98 1nwd h ARG 86 N -0.02 1.01 -0.17 2.37 2.43 -1.40 -0.75 114.38 117.87 1nwd h ARG 86 Ca 0.01 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 1nwd h ARG 86 Cb 0.07 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1nwd h ARG 86 CO -0.00 0.67 -0.46 0.93 -1.51 0.00 0.00 179.97 179.60 1nwd h GLU 87 N 1.05 0.60 -0.71 0.20 5.08 -0.95 -1.81 114.58 118.04 1nwd h GLU 87 Ca 0.43 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nwd h GLU 87 Cb 0.26 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1nwd h GLU 87 CO -0.20 1.05 0.45 0.00 -1.00 0.00 0.00 179.01 179.31 1nwd h ALA 88 N 0.56 0.90 0.67 3.43 0.00 -1.03 -2.81 119.26 120.98 1nwd h ALA 88 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1nwd h ALA 88 Cb 1.08 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1nwd h ALA 88 CO 0.10 0.35 -0.32 0.74 0.00 0.00 0.00 179.25 180.12 1nwd h PHE 89 N 0.96 -0.83 0.00 0.00 0.04 -1.10 -2.17 116.94 113.84 1nwd h PHE 89 Ca 0.26 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.00 1nwd h PHE 89 Cb -0.07 0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1nwd h PHE 89 CO -0.02 -0.50 -0.03 0.07 -0.60 0.00 0.00 178.31 177.23 1nwd h ARG 90 N -0.94 0.00 0.04 1.51 -0.00 -1.35 0.85 114.38 114.50 1nwd h ARG 90 Ca -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.89 1nwd h ARG 90 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.67 1nwd h ARG 90 CO 0.15 0.03 -0.02 0.28 -0.00 0.00 0.00 179.97 180.41 1nwd h VAL 91 N 0.00 1.33 0.00 0.08 2.07 -1.47 -3.41 116.25 114.85 1nwd h VAL 91 Ca -0.00 -1.45 0.00 0.00 0.82 0.00 0.00 66.70 66.07 1nwd h VAL 91 Cb 0.21 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1nwd h VAL 91 CO 0.00 0.35 0.00 0.49 0.02 0.00 0.00 177.57 178.44 1nwd n PHE 92 N -4.81 0.00 -2.22 1.57 3.01 -0.60 -4.79 117.46 109.62 1nwd n PHE 92 Ca -0.09 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.05 1nwd n PHE 92 Cb 0.31 -0.43 -0.01 0.00 -0.01 0.00 0.00 39.48 39.34 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 -2.14 6.22 0.00 4.37 2.15 0.19 -4.80 116.67 122.66 1nwd s ASP 93 Ca 0.00 1.68 0.29 0.00 0.43 0.00 0.00 52.55 54.95 1nwd s ASP 93 Cb 0.00 -2.52 1.26 0.00 -0.30 0.00 0.00 42.92 41.36 1nwd s ASP 93 CO 0.00 -0.87 1.88 0.29 -0.17 0.00 0.00 175.17 176.30 1nwd n LYS 94 N -1.83 0.67 -2.85 4.34 4.76 -1.26 -4.36 118.16 117.64 1nwd n LYS 94 Ca 0.08 -0.21 -0.11 0.00 -2.87 0.00 0.00 58.31 55.19 1nwd n LYS 94 Cb 0.53 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.29 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 -0.98 -1.56 0.00 4.39 5.75 -1.26 -5.03 116.55 117.87 1nwd n ASP 95 Ca 0.15 -3.51 0.00 0.00 -0.01 0.00 0.00 54.79 51.42 1nwd n ASP 95 Cb 0.27 1.27 0.00 0.00 -1.03 0.00 0.00 41.12 41.63 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 0.41 1.12 1.83 6.12 0.00 -1.26 -4.37 105.19 109.04 1nwd n GLY 96 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1nwd n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nwd n ASN 97 N 2.24 -2.05 -0.35 1.61 5.15 -1.26 -4.03 115.26 116.57 1nwd n ASN 97 Ca 0.00 -0.03 0.07 0.00 -0.60 0.00 0.00 54.58 54.02 1nwd n ASN 97 Cb 0.00 -0.93 0.25 0.00 -0.53 0.00 0.00 39.78 38.58 1nwd n ASN 97 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1nwd h GLY 98 N -0.16 1.56 -6.49 8.20 0.00 -1.93 -3.38 103.07 100.87 1nwd h GLY 98 Ca -0.05 -0.41 -0.61 0.00 0.00 0.00 0.00 47.33 46.26 1nwd h GLY 98 CO 0.05 0.17 -0.83 -0.19 0.00 0.00 0.00 176.54 175.75 1nwd s TYR 99 N -5.92 2.24 -0.83 5.60 2.02 -1.26 -3.09 117.35 116.11 1nwd s TYR 99 Ca -0.12 -1.31 -0.16 0.00 -0.37 0.00 0.00 57.07 55.11 1nwd s TYR 99 Cb 0.22 -1.61 0.18 0.00 -0.40 0.00 0.00 41.96 40.34 1nwd s TYR 99 CO 0.81 -0.69 0.86 0.42 -1.57 0.00 0.00 175.55 175.38 1nwd s ILE 100 N 1.46 5.25 0.62 2.71 1.01 -0.37 -4.85 121.20 127.04 1nwd s ILE 100 Ca 0.04 -2.02 -0.15 0.00 0.00 0.00 0.00 60.65 58.52 1nwd s ILE 100 Cb -0.14 -4.56 -0.02 0.00 0.01 0.00 0.00 42.46 37.75 1nwd s ILE 100 CO -0.10 -1.18 1.06 -0.55 0.00 0.00 0.00 174.94 174.17 1nwd s SER 101 N 2.80 5.61 0.22 3.58 0.15 -1.26 -2.36 113.70 122.44 1nwd s SER 101 Ca 0.21 1.79 -0.08 0.00 0.70 0.00 0.00 55.95 58.58 1nwd s SER 101 Cb -0.11 -2.53 0.28 0.00 -1.71 0.00 0.00 66.02 61.95 1nwd s SER 101 CO -0.07 -1.28 1.81 0.00 1.20 0.00 0.00 173.24 174.89 1nwd h ALA 102 N 0.14 0.95 0.78 5.45 0.00 -1.97 -0.77 119.26 123.84 1nwd h ALA 102 Ca -0.46 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1nwd h ALA 102 Cb 1.22 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.90 1nwd h ALA 102 CO 0.57 0.05 -0.37 0.00 0.00 0.00 0.00 179.25 179.50 1nwd h ALA 103 N 1.38 -1.04 -0.89 0.00 0.00 -1.93 -1.20 119.26 115.57 1nwd h ALA 103 Ca 0.32 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1nwd h ALA 103 Cb 0.23 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 18.33 1nwd h ALA 103 CO -0.20 -1.08 0.48 0.93 0.00 0.00 0.00 179.25 179.38 1nwd h GLU 104 N -1.05 0.66 -0.07 0.00 5.08 -1.87 0.73 114.58 118.05 1nwd h GLU 104 Ca -0.11 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1nwd h GLU 104 Cb 0.80 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1nwd h GLU 104 CO 0.17 0.44 -0.12 1.25 -1.00 0.00 0.00 179.01 179.75 1nwd h LEU 105 N 0.68 0.23 -1.97 1.33 6.46 -1.17 -3.17 115.31 117.70 1nwd h LEU 105 Ca 0.49 -0.54 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1nwd h LEU 105 Cb 0.69 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.55 1nwd h LEU 105 CO -0.36 0.73 -0.03 -0.09 -0.62 0.00 0.00 178.44 178.07 1nwd h ARG 106 N -0.25 0.00 0.62 1.25 1.12 -0.55 -2.49 114.38 114.07 1nwd h ARG 106 Ca 0.01 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 1nwd h ARG 106 Cb 0.68 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.64 1nwd h ARG 106 CO 0.03 0.03 -0.36 0.45 -3.11 0.00 0.00 179.97 177.01 1nwd h HIS 107 N 0.00 -0.95 -0.59 2.20 3.86 -0.86 -0.38 115.15 118.44 1nwd h HIS 107 Ca -0.00 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1nwd h HIS 107 Cb 0.06 0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.83 1nwd h HIS 107 CO 0.00 -0.56 0.40 -0.24 0.86 0.00 0.00 177.93 178.39 1nwd h VAL 108 N -0.92 0.94 -0.71 2.45 3.04 -1.49 0.70 116.25 120.25 1nwd h VAL 108 Ca -0.08 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.43 1nwd h VAL 108 Cb 0.74 0.42 -0.03 0.00 -2.01 0.00 0.00 31.29 30.40 1nwd h VAL 108 CO 0.09 0.09 0.38 0.24 -1.01 0.00 0.00 177.57 177.36 1nwd h MET 109 N 0.48 0.99 -0.42 4.17 2.07 -1.20 -2.90 114.93 118.11 1nwd h MET 109 Ca 0.27 -0.11 -0.08 0.00 -2.07 0.00 0.00 59.70 57.70 1nwd h MET 109 Cb 0.42 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.94 1nwd h MET 109 CO -0.08 0.74 -0.08 1.15 1.07 0.00 0.00 176.91 179.72 1nwd h THR 110 N 1.00 1.25 0.90 2.22 2.02 0.89 0.27 112.91 121.45 1nwd h THR 110 Ca 0.25 -1.09 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 1nwd h THR 110 Cb 0.04 1.01 0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1nwd h THR 110 CO -0.04 0.37 -0.46 0.78 0.37 0.00 0.00 175.52 176.55 1nwd h ASN 111 N 0.67 -1.10 0.25 4.18 4.21 -1.20 -1.34 115.58 121.25 1nwd h ASN 111 Ca 0.12 0.04 -0.12 0.00 1.21 0.00 0.00 56.30 57.55 1nwd h ASN 111 Cb 0.53 0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 38.01 1nwd h ASN 111 CO 0.03 -0.75 -0.47 0.17 -1.29 0.00 0.00 177.43 175.11 1nwd h LEU 112 N -1.24 0.28 0.00 1.61 8.10 -1.56 -3.41 115.31 119.10 1nwd h LEU 112 Ca -0.12 -0.13 -0.10 0.00 0.11 0.00 0.00 57.88 57.64 1nwd h LEU 112 Cb 0.96 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 41.08 1nwd h LEU 112 CO 0.19 0.72 -1.09 0.61 -4.11 0.00 0.00 178.44 174.75 1nwd n GLY 113 N -0.03 -0.15 0.75 0.17 0.00 0.08 -5.12 105.19 100.89 1nwd n GLY 113 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.51 0.00 -2.61 1.61 1.02 -0.51 -5.00 120.64 111.64 1nwd n GLU 114 Ca -0.13 0.48 -0.02 0.00 -0.02 0.00 0.00 57.16 57.48 1nwd n GLU 114 Cb 0.47 -0.27 -0.01 0.00 -0.02 0.00 0.00 31.44 31.60 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 0.12 -3.67 -4.16 3.49 4.81 -1.26 -4.99 118.16 112.49 1nwd n LYS 115 Ca 0.00 2.89 -0.22 0.00 -0.87 0.00 0.00 58.31 60.12 1nwd n LYS 115 Cb 0.00 -5.08 -0.17 0.00 0.02 0.00 0.00 35.03 29.81 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nwd s LEU 116 N -1.26 1.28 0.12 3.14 1.02 -1.26 -5.08 118.68 116.64 1nwd s LEU 116 Ca -0.09 -0.16 -0.31 0.00 0.02 0.00 0.00 54.13 53.59 1nwd s LEU 116 Cb 0.01 -0.54 -0.08 0.00 0.02 0.00 0.00 46.19 45.60 1nwd s LEU 116 CO 0.75 -0.06 1.45 0.42 0.02 0.00 0.00 176.35 178.93 1nwd s THR 117 N 1.06 3.13 -0.10 5.49 -4.23 -1.26 -4.92 115.64 114.81 1nwd s THR 117 Ca -0.09 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1nwd s THR 117 Cb -0.14 -3.51 0.11 0.00 1.34 0.00 0.00 72.50 70.31 1nwd s THR 117 CO -0.01 0.05 1.50 -0.90 -0.54 0.00 0.00 174.62 174.72 1nwd n ASP 118 N 4.15 4.16 -0.02 3.99 5.75 -1.26 -3.96 116.55 129.36 1nwd n ASP 118 Ca 0.12 -2.45 -0.21 0.00 -0.01 0.00 0.00 54.79 52.24 1nwd n ASP 118 Cb 0.41 -0.77 -0.13 0.00 -1.03 0.00 0.00 41.12 39.60 1nwd n ASP 118 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1nwd n GLU 119 N 0.50 0.73 0.16 0.11 0.28 -1.26 -3.56 120.64 117.61 1nwd n GLU 119 Ca 0.12 0.28 -0.14 0.00 -0.16 0.00 0.00 57.16 57.25 1nwd n GLU 119 Cb 0.65 -1.69 -0.08 0.00 1.43 0.00 0.00 31.44 31.76 1nwd n GLU 119 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1nwd h GLU 120 N -0.04 -0.33 -1.00 3.44 3.07 -2.00 -3.08 114.58 114.65 1nwd h GLU 120 Ca -0.44 0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.49 1nwd h GLU 120 Cb 1.96 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 29.88 1nwd h GLU 120 CO 0.04 -0.20 0.65 -0.24 -1.40 0.00 0.00 179.01 177.86 1nwd h VAL 121 N -0.37 1.15 -0.56 3.13 3.04 -1.81 -2.43 116.25 118.40 1nwd h VAL 121 Ca -0.03 -0.42 0.09 0.00 -1.01 0.00 0.00 66.70 65.32 1nwd h VAL 121 Cb 0.28 -0.19 -0.07 0.00 -2.01 0.00 0.00 31.29 29.30 1nwd h VAL 121 CO 0.06 0.23 0.19 -0.78 -1.01 0.00 0.00 177.57 176.25 1nwd h ASP 122 N 1.24 0.17 0.40 3.17 3.58 -1.59 -0.87 116.42 122.51 1nwd h ASP 122 Ca 0.40 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.91 1nwd h ASP 122 Cb 0.04 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1nwd h ASP 122 CO -0.13 0.11 -0.29 -0.33 -2.88 0.00 0.00 179.24 175.72 1nwd h GLU 123 N 0.36 -0.64 0.00 0.28 4.39 -1.35 -1.66 114.58 115.96 1nwd h GLU 123 Ca 0.28 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1nwd h GLU 123 Cb 0.34 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1nwd h GLU 123 CO -0.30 -0.43 0.00 0.00 -1.16 0.00 0.00 179.01 177.13 1nwd n MET 124 N -4.14 0.14 0.19 2.33 0.00 -1.15 -0.64 117.12 113.85 1nwd n MET 124 Ca -0.08 0.46 -0.08 0.00 0.00 0.00 0.00 57.70 57.99 1nwd n MET 124 Cb 0.29 -1.82 -0.04 0.00 0.00 0.00 0.00 33.22 31.64 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 0.00 0.00 3.17 2.04 -1.11 -3.35 117.51 118.26 1nwd h ILE 125 Ca 0.00 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1nwd h ILE 125 Cb 0.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1nwd h ILE 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.69 1nwd n ARG 126 N -5.01 0.44 -0.20 2.37 1.74 -0.53 -1.62 116.66 113.85 1nwd n ARG 126 Ca -0.07 0.04 0.04 0.00 -0.77 0.00 0.00 57.85 57.09 1nwd n ARG 126 Cb 0.22 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 30.47 1nwd n ARG 126 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1nwd h GLU 127 N 0.00 0.84 -0.80 5.56 4.39 -1.01 -3.36 114.58 120.19 1nwd h GLU 127 Ca 0.00 -0.05 -0.35 0.00 0.34 0.00 0.00 59.36 59.30 1nwd h GLU 127 Cb 0.04 -0.19 -0.24 0.00 -0.10 0.00 0.00 28.75 28.26 1nwd h GLU 127 CO 0.00 0.55 -0.74 0.00 -1.16 0.00 0.00 179.01 177.66 1nwd n ALA 128 N -2.43 0.18 -3.36 3.43 0.00 -0.64 -5.02 120.51 112.66 1nwd n ALA 128 Ca 0.10 -2.21 -0.41 0.00 0.00 0.00 0.00 53.44 50.92 1nwd n ALA 128 Cb 0.16 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 1nwd n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nwd n ASP 129 N 1.20 5.26 0.35 0.00 -0.08 -0.86 -4.84 116.55 117.59 1nwd n ASP 129 Ca 0.14 -3.16 -0.18 0.00 -1.51 0.00 0.00 54.79 50.08 1nwd n ASP 129 Cb 0.62 -1.24 -0.09 0.00 2.34 0.00 0.00 41.12 42.75 1nwd n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1nwd h ILE 130 N 3.69 0.22 0.64 5.18 2.04 -1.93 -3.22 117.51 124.13 1nwd h ILE 130 Ca 0.18 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 1nwd h ILE 130 Cb 0.79 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1nwd h ILE 130 CO 1.03 0.00 -0.31 -0.78 0.00 0.00 0.00 178.15 178.09 1nwd h ASP 131 N -0.95 -0.73 -3.46 1.72 3.58 -1.93 -3.49 116.42 111.16 1nwd h ASP 131 Ca -0.08 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.39 1nwd h ASP 131 Cb 0.77 0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1nwd h ASP 131 CO 0.08 -0.51 -0.13 0.61 -2.88 0.00 0.00 179.24 176.41 1nwd n GLY 132 N -1.41 -1.35 1.66 -0.78 0.00 -1.22 -5.04 105.19 97.04 1nwd n GLY 132 Ca -0.13 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.32 1.12 -0.90 1.61 5.68 -1.26 -4.98 116.55 117.51 1nwd n ASP 133 Ca 0.02 -2.07 -0.12 0.00 -0.50 0.00 0.00 54.79 52.12 1nwd n ASP 133 Cb 0.07 -0.33 -0.05 0.00 -1.14 0.00 0.00 41.12 39.67 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 0.29 1.26 3.13 6.12 0.00 -1.26 -4.99 105.19 109.74 1nwd n GLY 134 Ca 0.07 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1nwd n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwd n GLN 135 N -2.36 0.54 -3.80 1.61 6.02 -1.26 -3.82 117.38 114.31 1nwd n GLN 135 Ca -0.12 -2.89 -0.26 0.00 -0.01 0.00 0.00 57.00 53.72 1nwd n GLN 135 Cb 0.42 2.58 -0.17 0.00 1.02 0.00 0.00 30.24 34.09 1nwd n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nwd s VAL 136 N -3.02 0.68 0.94 5.09 1.01 -0.99 -4.70 120.40 119.40 1nwd s VAL 136 Ca 0.32 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1nwd s VAL 136 Cb 0.00 -0.94 0.16 0.00 0.00 0.00 0.00 36.38 35.60 1nwd s VAL 136 CO 0.23 0.08 1.12 0.21 0.00 0.00 0.00 175.10 176.74 1nwd s ASN 137 N 1.82 3.17 0.14 3.32 3.84 -1.26 -1.24 114.94 124.73 1nwd s ASN 137 Ca 0.02 1.03 -0.24 0.00 0.21 0.00 0.00 52.86 53.88 1nwd s ASN 137 Cb -0.15 -1.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.92 1nwd s ASN 137 CO -0.07 -2.77 1.63 0.22 -2.79 0.00 0.00 177.10 173.32 1nwd h TYR 138 N -1.65 -0.66 -0.42 0.43 5.03 -1.85 -1.14 116.97 116.71 1nwd h TYR 138 Ca -0.52 0.03 0.08 0.00 2.58 0.00 0.00 58.73 60.90 1nwd h TYR 138 Cb 1.33 0.32 -0.07 0.00 1.55 0.00 0.00 36.73 39.86 1nwd h TYR 138 CO 0.29 -0.33 0.01 1.05 -1.32 0.00 0.00 178.16 177.86 1nwd h GLU 139 N -0.30 0.12 -0.46 1.82 4.11 -1.94 -2.13 114.58 115.81 1nwd h GLU 139 Ca 0.11 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.52 1nwd h GLU 139 Cb 0.46 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1nwd h GLU 139 CO -0.33 0.08 0.23 0.93 0.07 0.00 0.00 179.01 179.99 1nwd h GLU 140 N 0.13 0.66 -0.06 1.06 5.08 -1.80 -1.23 114.58 118.43 1nwd h GLU 140 Ca 0.21 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1nwd h GLU 140 Cb 0.29 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1nwd h GLU 140 CO -0.33 0.56 0.03 0.35 -1.00 0.00 0.00 179.01 178.61 1nwd h PHE 141 N 0.61 0.08 0.29 4.33 3.57 -0.93 -2.79 116.94 122.10 1nwd h PHE 141 Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1nwd h PHE 141 Cb 0.11 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1nwd h PHE 141 CO -0.01 0.17 -0.30 0.28 -2.23 0.00 0.00 178.31 176.22 1nwd h VAL 142 N -0.03 0.37 -0.54 1.41 2.07 -1.35 -3.02 116.25 115.15 1nwd h VAL 142 Ca 0.02 0.00 -0.69 0.00 0.82 0.00 0.00 66.70 66.85 1nwd h VAL 142 Cb 0.12 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1nwd h VAL 142 CO -0.00 0.00 3.06 1.67 0.02 0.00 0.00 177.57 182.31 1nwd n GLN 143 N -5.42 4.06 0.11 1.57 7.27 -0.47 -0.61 117.38 123.89 1nwd n GLN 143 Ca -0.09 -2.75 0.00 0.00 0.07 0.00 0.00 57.00 54.23 1nwd n GLN 143 Cb 0.32 -2.69 0.00 0.00 2.41 0.00 0.00 30.24 30.28 1nwd n GLN 143 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 1nwd n MET 144 N 2.66 0.00 0.27 3.69 1.56 -1.06 -4.51 117.12 119.72 1nwd n MET 144 Ca 0.70 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 58.24 1nwd n MET 144 Cb 0.26 0.00 0.73 0.00 2.15 0.00 0.00 33.22 36.36 1nwd n MET 144 CO 0.00 0.00 0.00 0.52 -0.73 0.00 0.00 175.97 175.76 1nwd h MET 145 N 0.00 0.00 -1.80 2.12 2.86 -1.57 -2.29 114.93 114.26 1nwd h MET 145 Ca 0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.97 1nwd h MET 145 Cb 0.00 0.00 -0.36 0.00 0.06 0.00 0.00 31.60 31.30 1nwd h MET 145 CO 0.00 0.04 0.02 2.41 1.06 0.00 0.00 176.91 180.44 1nwd n THR 146 N -4.15 3.09 -2.41 2.22 -1.04 0.23 -5.01 114.28 107.20 1nwd n THR 146 Ca -0.03 -4.83 -0.41 0.00 -2.04 0.00 0.00 64.05 56.75 1nwd n THR 146 Cb 0.13 -1.29 -0.03 0.00 -1.82 0.00 0.00 70.33 67.32 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 -3.77 2.65 0.00 2.41 0.00 -0.86 -4.54 121.76 117.64 1nwd s ALA 147 Ca 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1nwd s ALA 147 Cb 0.39 -4.23 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1nwd s ALA 147 CO -0.26 -3.32 0.00 1.17 0.00 0.00 0.00 175.76 173.35