#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd s ASP 2 N 0.00 -0.63 -0.16 0.00 2.15 -1.26 -5.07 116.67 111.69 1nwd s ASP 2 Ca 0.00 1.10 -0.05 0.00 0.43 0.00 0.00 52.55 54.03 1nwd s ASP 2 Cb 0.00 1.09 0.02 0.00 -0.30 0.00 0.00 42.92 43.74 1nwd s ASP 2 CO 0.00 -0.31 0.11 1.67 -0.17 0.00 0.00 175.17 176.47 1nwd n GLN 3 N 2.31 -2.94 -4.58 4.34 0.00 -1.26 -5.11 117.38 110.15 1nwd n GLN 3 Ca -0.15 2.40 -0.27 0.00 -0.00 0.00 0.00 57.00 58.98 1nwd n GLN 3 Cb 0.56 -3.94 -0.08 0.00 0.00 0.00 0.00 30.24 26.78 1nwd n GLN 3 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1nwd s LEU 4 N -0.73 2.12 0.45 1.69 2.34 -1.26 -5.14 118.68 118.16 1nwd s LEU 4 Ca -0.13 -1.63 -0.24 0.00 0.06 0.00 0.00 54.13 52.19 1nwd s LEU 4 Cb 0.01 -0.33 -0.08 0.00 -0.56 0.00 0.00 46.19 45.23 1nwd s LEU 4 CO 0.56 -0.86 1.29 -0.89 -1.06 0.00 0.00 176.35 175.38 1nwd s THR 5 N -3.11 2.58 -0.74 5.48 2.01 -1.26 -4.93 115.64 115.67 1nwd s THR 5 Ca 0.20 0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1nwd s THR 5 Cb 0.03 -3.27 0.18 0.00 0.01 0.00 0.00 72.50 69.46 1nwd s THR 5 CO 0.12 0.04 0.83 -0.62 -0.69 0.00 0.00 174.62 174.30 1nwd n GLU 6 N -0.27 1.81 0.05 4.92 1.02 -1.26 -4.19 120.64 122.72 1nwd n GLU 6 Ca 0.06 -0.71 -0.12 0.00 -0.02 0.00 0.00 57.16 56.37 1nwd n GLU 6 Cb 0.45 -1.62 -0.09 0.00 -0.02 0.00 0.00 31.44 30.16 1nwd n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nwd h GLU 7 N 0.82 -0.17 -0.49 3.49 3.07 -1.99 -2.74 114.58 116.57 1nwd h GLU 7 Ca 0.02 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.96 1nwd h GLU 7 Cb 0.91 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.80 1nwd h GLU 7 CO 0.13 0.26 0.14 1.96 -1.40 0.00 0.00 179.01 180.10 1nwd h GLN 8 N -0.69 0.29 0.33 2.33 4.20 -2.00 -0.91 115.11 118.66 1nwd h GLN 8 Ca -0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1nwd h GLN 8 Cb 0.51 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1nwd h GLN 8 CO 0.03 0.19 -0.52 0.82 -0.67 0.00 0.00 178.83 178.68 1nwd h ILE 9 N 0.30 0.01 -0.94 2.54 2.04 -1.84 -1.04 117.51 118.57 1nwd h ILE 9 Ca 0.24 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.19 1nwd h ILE 9 Cb 0.28 0.01 -0.07 0.00 -0.74 0.00 0.00 36.82 36.30 1nwd h ILE 9 CO -0.27 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.48 1nwd h ALA 10 N -0.72 1.56 -0.09 1.87 0.00 -1.24 -1.36 119.26 119.29 1nwd h ALA 10 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1nwd h ALA 10 Cb 0.83 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1nwd h ALA 10 CO -0.17 0.25 -0.11 1.49 0.00 0.00 0.00 179.25 180.71 1nwd h GLU 11 N 0.97 0.23 -0.32 0.00 4.81 -0.90 -1.18 114.58 118.20 1nwd h GLU 11 Ca 0.43 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.44 1nwd h GLU 11 Cb 0.37 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1nwd h GLU 11 CO -0.19 0.68 -0.21 0.74 -0.73 0.00 0.00 179.01 179.29 1nwd h PHE 12 N -0.20 0.67 0.06 0.92 0.04 -1.06 -0.29 116.94 117.08 1nwd h PHE 12 Ca 0.01 -0.14 0.01 0.00 2.80 0.00 0.00 57.97 60.65 1nwd h PHE 12 Cb 0.64 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1nwd h PHE 12 CO 0.09 0.77 -0.10 0.87 -0.60 0.00 0.00 178.31 179.34 1nwd h LYS 13 N 0.53 -0.19 0.00 1.51 1.57 -1.26 -2.11 116.57 116.62 1nwd h LYS 13 Ca 0.08 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1nwd h LYS 13 Cb 0.66 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.98 1nwd h LYS 13 CO 0.05 -0.13 -0.19 1.49 -0.57 0.00 0.00 179.45 180.09 1nwd h GLU 14 N -0.20 -0.30 -0.48 3.15 4.81 -1.00 -0.71 114.58 119.84 1nwd h GLU 14 Ca 0.02 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1nwd h GLU 14 Cb 0.22 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 1nwd h GLU 14 CO -0.06 -0.20 0.15 0.00 -0.73 0.00 0.00 179.01 178.17 1nwd h ALA 15 N 0.58 0.57 -0.24 2.92 0.00 -1.00 -0.92 119.26 121.17 1nwd h ALA 15 Ca 0.06 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1nwd h ALA 15 Cb 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nwd h ALA 15 CO -0.18 -0.25 -0.15 0.35 0.00 0.00 0.00 179.25 179.02 1nwd h PHE 16 N 0.31 0.61 -0.15 0.00 3.57 -1.33 -3.27 116.94 116.68 1nwd h PHE 16 Ca 0.23 -0.16 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1nwd h PHE 16 Cb 0.26 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1nwd h PHE 16 CO -0.18 0.81 0.00 1.03 -2.23 0.00 0.00 178.31 177.75 1nwd h SER 17 N 0.23 -0.05 -0.32 0.41 0.87 -0.62 -0.69 113.55 113.38 1nwd h SER 17 Ca 0.05 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.71 1nwd h SER 17 Cb 0.67 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.60 1nwd h SER 17 CO 0.04 -0.00 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.01 1nwd h LEU 18 N 0.05 -0.84 -0.22 2.23 4.07 -1.30 -2.84 115.31 116.47 1nwd h LEU 18 Ca 0.07 0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 1nwd h LEU 18 Cb 0.08 0.40 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1nwd h LEU 18 CO -0.11 -0.28 0.03 0.15 -1.08 0.00 0.00 178.44 177.15 1nwd h PHE 19 N -0.23 0.39 -0.84 1.13 3.04 -1.57 -3.37 116.94 115.50 1nwd h PHE 19 Ca 0.16 -0.06 -0.59 0.00 3.98 0.00 0.00 57.97 61.46 1nwd h PHE 19 Cb 0.48 -0.11 -0.08 0.00 2.56 0.00 0.00 35.95 38.81 1nwd h PHE 19 CO -0.44 0.51 1.84 0.34 -2.02 0.00 0.00 178.31 178.53 1nwd s ASP 20 N -5.80 6.42 0.16 0.41 -1.08 -0.28 -4.84 116.67 111.65 1nwd s ASP 20 Ca -0.14 -2.07 -0.14 0.00 -0.52 0.00 0.00 52.55 49.68 1nwd s ASP 20 Cb 0.07 -2.58 0.05 0.00 -1.46 0.00 0.00 42.92 39.00 1nwd s ASP 20 CO 0.73 -1.60 1.74 0.11 0.52 0.00 0.00 175.17 176.67 1nwd h LYS 21 N 8.47 0.75 0.64 4.34 1.79 -1.74 -3.29 116.57 127.52 1nwd h LYS 21 Ca 0.35 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.68 1nwd h LYS 21 Cb 0.91 -0.13 0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1nwd h LYS 21 CO 1.41 0.62 -0.31 -0.44 -1.08 0.00 0.00 179.45 179.65 1nwd h ASP 22 N 0.69 -0.72 0.00 0.86 5.19 -1.92 -3.48 116.42 117.03 1nwd h ASP 22 Ca 0.18 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1nwd h ASP 22 Cb 0.12 0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1nwd h ASP 22 CO -0.02 -0.45 0.00 0.61 -3.12 0.00 0.00 179.24 176.25 1nwd n GLY 23 N -1.19 2.14 0.49 2.75 0.00 -1.24 -5.01 105.19 103.14 1nwd n GLY 23 Ca -0.13 -0.51 0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 0.15 -1.21 1.61 3.04 -1.93 -3.46 116.42 116.61 1nwd h ASP 24 Ca 0.00 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 1nwd h ASP 24 Cb 0.00 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.30 1nwd h ASP 24 CO 0.00 0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.83 1nwd n GLY 25 N -1.67 0.50 3.16 7.15 0.00 -1.26 -4.99 105.19 108.08 1nwd n GLY 25 Ca 0.26 -0.31 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.28 -0.17 -0.85 2.61 -4.23 -1.26 -3.09 115.64 106.36 1nwd s THR 26 Ca 0.00 0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1nwd s THR 26 Cb 0.00 -0.52 0.26 0.00 1.34 0.00 0.00 72.50 73.57 1nwd s THR 26 CO 0.00 0.06 0.96 -0.38 -0.54 0.00 0.00 174.62 174.72 1nwd n ILE 27 N 4.57 3.39 -1.30 2.99 5.41 -1.24 -4.94 119.36 128.24 1nwd n ILE 27 Ca -0.19 -5.38 -0.30 0.00 1.00 0.00 0.00 62.75 57.87 1nwd n ILE 27 Cb 0.53 -2.18 0.12 0.00 -0.71 0.00 0.00 39.64 37.40 1nwd n ILE 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1nwd s THR 28 N -2.21 2.75 0.50 1.39 -1.32 -1.26 -4.32 115.64 111.16 1nwd s THR 28 Ca 0.33 0.25 0.23 0.00 -1.21 0.00 0.00 61.69 61.28 1nwd s THR 28 Cb 0.05 -2.80 0.39 0.00 -1.51 0.00 0.00 72.50 68.63 1nwd s THR 28 CO -0.02 -0.32 1.96 0.71 -2.21 0.00 0.00 174.62 174.74 1nwd h THR 29 N -1.42 0.73 -0.05 5.08 1.35 -1.91 -1.54 112.91 115.15 1nwd h THR 29 Ca -0.49 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1nwd h THR 29 Cb 1.28 0.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 1nwd h THR 29 CO 0.56 0.03 0.01 0.50 -0.25 0.00 0.00 175.52 176.36 1nwd h LYS 30 N 0.14 0.09 -0.86 4.72 3.11 -1.98 -2.03 116.57 119.76 1nwd h LYS 30 Ca 0.31 -0.03 0.05 0.00 -2.81 0.00 0.00 60.65 58.18 1nwd h LYS 30 Cb 1.03 -0.01 -0.06 0.00 -1.00 0.00 0.00 32.23 32.19 1nwd h LYS 30 CO -0.04 0.34 0.54 1.49 -2.81 0.00 0.00 179.45 178.97 1nwd h GLU 31 N -0.17 0.98 -0.20 1.90 4.81 -1.64 -0.52 114.58 119.72 1nwd h GLU 31 Ca 0.02 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.23 1nwd h GLU 31 Cb 0.30 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1nwd h GLU 31 CO 0.00 0.65 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.78 1nwd h LEU 32 N 1.01 -0.26 -0.60 1.64 -0.00 -1.42 -2.23 115.31 113.46 1nwd h LEU 32 Ca 0.37 0.07 0.10 0.00 -0.00 0.00 0.00 57.88 58.41 1nwd h LEU 32 Cb 0.13 0.15 -0.07 0.00 -0.00 0.00 0.00 40.66 40.87 1nwd h LEU 32 CO -0.16 -0.10 0.21 1.23 -0.00 0.00 0.00 178.44 179.62 1nwd h GLY 33 N -0.04 0.82 0.86 0.83 0.00 -0.51 -1.50 103.07 103.54 1nwd h GLY 33 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1nwd h GLY 33 CO -0.23 -0.03 -0.26 -0.84 0.00 0.00 0.00 176.54 175.18 1nwd h THR 34 N 0.38 0.46 -0.07 4.70 2.02 -0.91 -1.45 112.91 118.03 1nwd h THR 34 Ca 0.30 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.50 1nwd h THR 34 Cb 0.39 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1nwd h THR 34 CO -0.32 0.00 -0.01 0.58 0.37 0.00 0.00 175.52 176.14 1nwd h VAL 35 N -0.63 0.93 0.04 3.16 2.07 -1.19 -1.27 116.25 119.36 1nwd h VAL 35 Ca -0.04 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 1nwd h VAL 35 Cb 0.53 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1nwd h VAL 35 CO 0.03 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.84 1nwd h MET 36 N 0.01 -0.05 -0.17 1.57 2.86 -1.29 -3.18 114.93 114.68 1nwd h MET 36 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1nwd h MET 36 Cb 0.05 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1nwd h MET 36 CO -0.07 -0.03 0.11 -0.09 1.06 0.00 0.00 176.91 177.89 1nwd h ARG 37 N -0.05 0.23 -0.72 1.72 1.12 -0.10 -2.07 114.38 114.51 1nwd h ARG 37 Ca -0.01 -0.02 0.16 0.00 -1.11 0.00 0.00 59.98 59.01 1nwd h ARG 37 Cb 0.04 -0.05 -0.13 0.00 -0.01 0.00 0.00 29.97 29.83 1nwd h ARG 37 CO 0.01 0.16 -0.02 1.03 -3.11 0.00 0.00 179.97 178.05 1nwd h SER 38 N 0.22 -0.37 0.12 -3.80 0.87 -1.21 -1.63 113.55 107.76 1nwd h SER 38 Ca 0.06 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1nwd h SER 38 Cb -0.01 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1nwd h SER 38 CO -0.01 -0.17 -0.09 -0.07 -0.53 0.00 0.00 176.83 175.96 1nwd h LEU 39 N 0.09 -0.22 0.00 2.23 3.38 -1.54 -3.48 115.31 115.78 1nwd h LEU 39 Ca 0.38 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1nwd h LEU 39 Cb 0.65 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1nwd h LEU 39 CO -0.64 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 178.37 1nwd n GLY 40 N -1.10 0.00 2.85 0.83 0.00 -0.61 -5.15 105.19 102.00 1nwd n GLY 40 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 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 0.06 -0.69 1.61 -0.21 -0.80 -4.99 119.66 114.65 1nwd s GLN 41 Ca 0.00 0.54 -0.11 0.00 0.02 0.00 0.00 55.36 55.81 1nwd s GLN 41 Cb 0.00 -0.36 0.18 0.00 1.00 0.00 0.00 33.01 33.83 1nwd s GLN 41 CO 0.00 -0.35 0.60 1.21 -2.12 0.00 0.00 175.29 174.63 1nwd s ASN 42 N 2.31 6.20 0.61 5.90 3.84 -1.26 -1.40 114.94 131.14 1nwd s ASN 42 Ca 0.03 -2.47 -0.14 0.00 0.21 0.00 0.00 52.86 50.49 1nwd s ASN 42 Cb -0.12 -2.11 -0.03 0.00 -0.55 0.00 0.00 41.25 38.44 1nwd s ASN 42 CO -0.07 -0.59 1.04 -2.16 -2.79 0.00 0.00 177.10 172.53 1nwd s PRO 43 N 0.51 3.36 -0.17 0.43 0.04 -1.26 -5.06 135.00 132.86 1nwd s PRO 43 Ca 0.14 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 61.99 1nwd s PRO 43 Cb -0.18 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1nwd s PRO 43 CO -0.05 -0.76 0.52 0.95 0.04 0.00 0.00 177.00 177.71 1nwd s THR 44 N -2.79 5.12 0.26 1.26 -4.23 -1.26 -5.01 115.64 109.00 1nwd s THR 44 Ca 0.60 1.00 -0.03 0.00 -1.18 0.00 0.00 61.69 62.08 1nwd s THR 44 Cb -0.13 -3.85 0.27 0.00 1.34 0.00 0.00 72.50 70.12 1nwd s THR 44 CO 0.44 0.22 1.89 -0.08 -0.54 0.00 0.00 174.62 176.55 1nwd h GLU 45 N 7.18 1.16 -0.99 3.99 4.81 -1.97 -2.63 114.58 126.14 1nwd h GLU 45 Ca -0.36 -0.07 0.25 0.00 -0.13 0.00 0.00 59.36 59.05 1nwd h GLU 45 Cb 1.16 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 30.21 1nwd h GLU 45 CO 0.75 0.77 0.67 0.00 -0.73 0.00 0.00 179.01 180.46 1nwd h ALA 46 N 1.45 2.45 -0.01 2.92 0.00 -1.99 -0.29 119.26 123.78 1nwd h ALA 46 Ca 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1nwd h ALA 46 Cb 0.14 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1nwd h ALA 46 CO -0.17 -0.78 -0.05 0.93 0.00 0.00 0.00 179.25 179.19 1nwd h GLU 47 N 0.28 0.04 -0.88 0.00 4.39 -1.90 -2.64 114.58 113.87 1nwd h GLU 47 Ca 0.52 -0.04 0.10 0.00 0.34 0.00 0.00 59.36 60.28 1nwd h GLU 47 Cb 1.53 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 30.13 1nwd h GLU 47 CO -0.17 0.74 0.57 -0.07 -1.16 0.00 0.00 179.01 178.92 1nwd h LEU 48 N -0.65 0.79 0.80 1.33 3.38 -1.43 -1.58 115.31 117.96 1nwd h LEU 48 Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1nwd h LEU 48 Cb 0.75 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1nwd h LEU 48 CO 0.01 0.47 -0.38 -0.61 0.09 0.00 0.00 178.44 178.01 1nwd h GLN 49 N 0.88 -1.03 0.17 1.13 5.75 -1.12 -3.28 115.11 117.60 1nwd h GLN 49 Ca 0.41 0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.98 1nwd h GLN 49 Cb 0.40 0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1nwd h GLN 49 CO -0.17 -0.69 -0.12 0.22 -2.65 0.00 0.00 178.83 175.42 1nwd h ASP 50 N -1.23 -0.29 -0.98 -0.69 3.58 -1.30 -2.29 116.42 113.21 1nwd h ASP 50 Ca -0.11 0.02 0.22 0.00 0.42 0.00 0.00 57.03 57.58 1nwd h ASP 50 Cb 0.82 0.09 -0.09 0.00 1.72 0.00 0.00 39.33 41.87 1nwd h ASP 50 CO 0.18 -0.18 0.62 0.00 -2.88 0.00 0.00 179.24 176.98 1nwd h MET 51 N -0.28 0.54 0.03 0.28 -0.00 -1.43 -0.47 114.93 113.60 1nwd h MET 51 Ca -0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1nwd h MET 51 Cb 0.25 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.72 1nwd h MET 51 CO 0.00 0.35 -0.01 0.82 -0.00 0.00 0.00 176.91 178.08 1nwd h ILE 52 N 0.55 1.40 0.00 -0.10 2.04 -1.60 -3.32 117.51 116.49 1nwd h ILE 52 Ca 0.55 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1nwd h ILE 52 Cb 1.15 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 1nwd h ILE 52 CO -0.30 0.37 0.00 0.59 0.00 0.00 0.00 178.15 178.81 1nwd n ASN 53 N -4.80 0.39 0.35 1.72 5.03 -0.33 -1.69 115.26 115.94 1nwd n ASN 53 Ca -0.09 0.66 -0.15 0.00 0.87 0.00 0.00 54.58 55.87 1nwd n ASN 53 Cb 0.31 -0.72 -0.07 0.00 -1.02 0.00 0.00 39.78 38.28 1nwd n ASN 53 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1nwd h GLU 54 N 0.00 -0.90 -0.12 3.52 3.07 -1.27 -3.37 114.58 115.52 1nwd h GLU 54 Ca 0.00 0.06 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 1nwd h GLU 54 Cb 0.09 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1nwd h GLU 54 CO 0.00 -0.60 -0.41 0.28 -1.40 0.00 0.00 179.01 176.88 1nwd h VAL 55 N -0.93 1.37 -1.26 3.13 2.07 -1.58 -3.37 116.25 115.67 1nwd h VAL 55 Ca -0.09 -1.73 -0.37 0.00 0.82 0.00 0.00 66.70 65.33 1nwd h VAL 55 Cb 0.73 2.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 1nwd h VAL 55 CO 0.12 0.52 1.00 -1.81 0.02 0.00 0.00 177.57 177.41 1nwd s ASP 56 N -6.56 5.10 0.18 0.57 1.01 -0.68 -4.11 116.67 112.18 1nwd s ASP 56 Ca -0.13 -0.14 -0.13 0.00 0.71 0.00 0.00 52.55 52.86 1nwd s ASP 56 Cb 0.05 -2.54 0.10 0.00 1.01 0.00 0.00 42.92 41.54 1nwd s ASP 56 CO 0.81 -2.66 1.83 0.00 0.21 0.00 0.00 175.17 175.36 1nwd h ALA 57 N 13.26 0.70 -0.21 5.23 0.00 -1.78 -1.48 119.26 134.98 1nwd h ALA 57 Ca -0.07 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1nwd h ALA 57 Cb 1.08 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1nwd h ALA 57 CO 1.20 0.07 -0.11 0.38 0.00 0.00 0.00 179.25 180.80 1nwd h ASP 58 N 0.68 -0.35 -4.45 0.00 2.03 -1.91 -3.48 116.42 108.93 1nwd h ASP 58 Ca 0.21 0.08 -0.10 0.00 -0.73 0.00 0.00 57.03 56.49 1nwd h ASP 58 Cb -0.02 0.19 0.08 0.00 -0.83 0.00 0.00 39.33 38.76 1nwd h ASP 58 CO -0.08 -0.14 -0.35 0.61 -1.03 0.00 0.00 179.24 178.25 1nwd n GLY 59 N -1.26 -0.51 0.10 7.15 0.00 -0.56 -5.01 105.19 105.11 1nwd n GLY 59 Ca -0.02 0.23 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 1nwd n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1nwd h ASN 60 N -0.35 -0.11 0.00 1.61 -0.26 -1.94 -3.50 115.58 111.04 1nwd h ASN 60 Ca -0.25 -0.22 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1nwd h ASN 60 Cb 1.13 0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.41 1nwd h ASN 60 CO 0.24 0.47 0.00 0.61 -1.06 0.00 0.00 177.43 177.69 1nwd n GLY 61 N 1.32 3.28 3.76 2.83 0.00 -1.26 -5.12 105.19 110.01 1nwd n GLY 61 Ca -0.04 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 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 2.11 -0.63 2.61 -4.23 -1.26 -4.54 115.64 109.69 1nwd s THR 62 Ca 0.00 0.09 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1nwd s THR 62 Cb 0.00 -3.05 0.16 0.00 1.34 0.00 0.00 72.50 70.95 1nwd s THR 62 CO 0.00 0.01 0.41 -0.51 -0.54 0.00 0.00 174.62 173.99 1nwd s ILE 63 N -1.27 3.02 1.20 2.99 1.10 -1.26 -4.97 121.20 122.01 1nwd s ILE 63 Ca 0.67 -3.66 -0.17 0.00 -0.51 0.00 0.00 60.65 56.97 1nwd s ILE 63 Cb -0.41 -3.01 0.28 0.00 0.15 0.00 0.00 42.46 39.47 1nwd s ILE 63 CO 0.51 -0.91 1.05 -0.62 -2.11 0.00 0.00 174.94 172.86 1nwd s ASP 64 N -0.55 0.83 0.11 4.50 -1.08 -1.26 -3.69 116.67 115.53 1nwd s ASP 64 Ca 0.21 0.95 -0.34 0.00 -0.52 0.00 0.00 52.55 52.85 1nwd s ASP 64 Cb -0.16 -1.42 -0.13 0.00 -1.46 0.00 0.00 42.92 39.75 1nwd s ASP 64 CO -0.07 -4.21 1.56 0.15 0.52 0.00 0.00 175.17 173.11 1nwd h PHE 65 N -2.64 -1.54 -0.21 -5.34 3.04 -1.92 -0.33 116.94 108.00 1nwd h PHE 65 Ca -0.50 0.05 -0.05 0.00 3.98 0.00 0.00 57.97 61.45 1nwd h PHE 65 Cb 1.32 0.67 -0.01 0.00 2.56 0.00 0.00 35.95 40.49 1nwd h PHE 65 CO -1.40 -0.57 -0.09 -1.00 -2.02 0.00 0.00 178.31 173.23 1nwd h PRO 66 N -0.68 0.34 -0.35 6.41 0.13 -1.93 -2.81 132.00 133.11 1nwd h PRO 66 Ca 0.01 -0.08 -0.10 0.00 -0.87 0.00 0.00 66.00 64.96 1nwd h PRO 66 Cb 0.73 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1nwd h PRO 66 CO -0.35 0.44 -0.22 0.93 -0.23 0.00 0.00 178.00 178.58 1nwd h GLU 67 N 0.32 0.67 -0.05 0.86 5.08 -1.73 -0.26 114.58 119.47 1nwd h GLU 67 Ca 0.07 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1nwd h GLU 67 Cb 0.37 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1nwd h GLU 67 CO 0.02 0.83 -0.07 0.35 -1.00 0.00 0.00 179.01 179.15 1nwd h PHE 68 N 0.59 0.16 -0.87 4.33 3.04 -0.94 0.04 116.94 123.29 1nwd h PHE 68 Ca 0.09 -0.05 0.18 0.00 3.98 0.00 0.00 57.97 62.17 1nwd h PHE 68 Cb 0.69 -0.03 -0.11 0.00 2.56 0.00 0.00 35.95 39.06 1nwd h PHE 68 CO 0.03 0.62 0.41 -0.07 -2.02 0.00 0.00 178.31 177.28 1nwd h LEU 69 N -0.35 0.42 0.00 0.59 -0.00 -1.49 -2.30 115.31 112.18 1nwd h LEU 69 Ca 0.01 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 1nwd h LEU 69 Cb 0.61 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1nwd h LEU 69 CO 0.02 0.10 0.00 0.41 -0.00 0.00 0.00 178.44 178.97 1nwd n THR 70 N -4.96 0.00 -0.10 0.22 -1.04 -0.11 -2.91 114.28 105.38 1nwd n THR 70 Ca 0.19 1.11 -0.02 0.00 -2.04 0.00 0.00 64.05 63.29 1nwd n THR 70 Cb 0.55 -2.03 -0.01 0.00 -1.82 0.00 0.00 70.33 67.01 1nwd n THR 70 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1nwd n MET 71 N -1.25 -0.09 0.04 -2.82 0.00 -0.01 -0.58 117.12 112.42 1nwd n MET 71 Ca 0.00 0.36 -0.02 0.00 -0.00 0.00 0.00 57.70 58.05 1nwd n MET 71 Cb 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 33.22 32.68 1nwd n MET 71 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 1nwd h MET 72 N 0.00 -0.10 0.44 2.12 2.07 -1.57 -3.24 114.93 114.65 1nwd h MET 72 Ca 0.06 0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.67 1nwd h MET 72 Cb 0.12 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1nwd h MET 72 CO -0.23 -0.07 -0.21 0.00 1.07 0.00 0.00 176.91 177.47 1nwd h ALA 73 N -1.86 -0.64 0.25 6.32 0.00 -1.24 -3.38 119.26 118.70 1nwd h ALA 73 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1nwd h ALA 73 Cb 0.08 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1nwd h ALA 73 CO 0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 179.25 178.55 1nwd h ARG 74 N -1.04 -0.32 -1.63 0.00 -0.00 -1.10 -3.46 114.38 106.82 1nwd h ARG 74 Ca -0.06 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1nwd h ARG 74 Cb 0.45 0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.49 1nwd h ARG 74 CO 0.10 -0.22 -0.06 1.17 0.00 0.00 0.00 179.97 180.96 1nwd n LYS 75 N -4.73 -0.36 -0.17 0.04 4.81 0.26 -3.93 118.16 114.08 1nwd n LYS 75 Ca -0.04 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1nwd n LYS 75 Cb 0.13 -0.50 0.00 0.00 0.02 0.00 0.00 35.03 34.68 1nwd n LYS 75 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1nwd n MET 76 N 0.13 -0.45 -2.08 1.64 1.56 -1.26 -4.80 117.12 111.85 1nwd n MET 76 Ca 0.00 0.35 -0.42 0.00 -0.27 0.00 0.00 57.70 57.36 1nwd n MET 76 Cb 0.00 -0.42 -0.00 0.00 2.15 0.00 0.00 33.22 34.95 1nwd n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1nwd n LYS 77 N -1.40 3.65 -4.46 2.12 4.81 -1.26 -4.87 118.16 116.75 1nwd n LYS 77 Ca 0.00 -3.24 -0.25 0.00 -0.87 0.00 0.00 58.31 53.96 1nwd n LYS 77 Cb 0.03 -2.93 -0.08 0.00 0.02 0.00 0.00 35.03 32.07 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nwd s ASP 78 N 1.30 2.57 0.00 3.14 1.01 -1.26 -4.97 116.67 118.46 1nwd s ASP 78 Ca 0.46 -1.73 0.00 0.00 0.71 0.00 0.00 52.55 51.98 1nwd s ASP 78 Cb 0.13 0.58 0.00 0.00 1.01 0.00 0.00 42.92 44.64 1nwd s ASP 78 CO -0.04 -1.00 0.09 0.35 0.21 0.00 0.00 175.17 174.78 1nwd n THR 79 N -0.86 0.00 -1.93 -1.27 -2.24 -1.26 -4.45 114.28 102.26 1nwd n THR 79 Ca -0.03 0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 61.74 1nwd n THR 79 Cb 0.64 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.39 4.27 -0.03 3.42 8.00 -1.26 -4.60 116.55 124.96 1nwd n ASP 80 Ca 0.00 -2.93 -0.15 0.00 0.71 0.00 0.00 54.79 52.43 1nwd n ASP 80 Cb 0.00 -1.60 -0.14 0.00 -0.02 0.00 0.00 41.12 39.36 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 5.41 1.38 -0.10 -2.24 7.64 -1.26 -2.33 113.62 122.11 1nwd n SER 81 Ca 0.48 0.24 0.04 0.00 1.01 0.00 0.00 58.87 60.64 1nwd n SER 81 Cb 0.38 -0.30 0.36 0.00 -1.01 0.00 0.00 64.21 63.64 1nwd n SER 81 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1nwd h GLU 82 N 0.03 0.70 -0.35 1.43 -0.00 -1.81 -2.16 114.58 112.41 1nwd h GLU 82 Ca -0.40 -0.04 -0.13 0.00 -0.00 0.00 0.00 59.36 58.79 1nwd h GLU 82 Cb 2.04 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 30.62 1nwd h GLU 82 CO 0.06 0.47 -0.31 1.49 -0.00 0.00 0.00 179.01 180.72 1nwd h GLU 83 N 0.73 0.77 -0.84 1.06 4.81 -1.91 -2.74 114.58 116.46 1nwd h GLU 83 Ca 0.22 -0.35 0.08 0.00 -0.13 0.00 0.00 59.36 59.18 1nwd h GLU 83 Cb 0.00 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 1nwd h GLU 83 CO -0.05 0.97 0.50 1.49 -0.73 0.00 0.00 179.01 181.18 1nwd h GLU 84 N 0.65 0.84 -0.06 1.92 4.81 -1.00 -1.89 114.58 119.85 1nwd h GLU 84 Ca 0.07 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1nwd h GLU 84 Cb 0.84 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1nwd h GLU 84 CO 0.07 0.55 0.03 0.82 -0.73 0.00 0.00 179.01 179.75 1nwd h ILE 85 N 0.86 1.12 -0.40 2.32 1.08 -1.42 -3.19 117.51 117.89 1nwd h ILE 85 Ca 0.39 -0.36 0.12 0.00 -0.39 0.00 0.00 64.86 64.61 1nwd h ILE 85 Cb 0.29 1.26 -0.02 0.00 -3.07 0.00 0.00 36.82 35.29 1nwd h ILE 85 CO -0.22 0.10 0.30 0.03 -0.69 0.00 0.00 178.15 177.68 1nwd h ARG 86 N -0.05 0.00 0.68 2.37 3.08 -1.06 -0.03 114.38 119.37 1nwd h ARG 86 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1nwd h ARG 86 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1nwd h ARG 86 CO -0.00 0.00 -0.35 0.93 -1.07 0.00 0.00 179.97 179.48 1nwd h GLU 87 N 0.00 -0.90 -0.88 0.04 4.39 -1.36 -1.95 114.58 113.92 1nwd h GLU 87 Ca 0.19 0.06 0.16 0.00 0.34 0.00 0.00 59.36 60.11 1nwd h GLU 87 Cb 0.80 0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 29.58 1nwd h GLU 87 CO -0.00 -0.60 0.57 0.00 -1.16 0.00 0.00 179.01 177.82 1nwd h ALA 88 N -1.52 1.95 -0.51 3.43 0.00 -1.38 -0.65 119.26 120.59 1nwd h ALA 88 Ca -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1nwd h ALA 88 Cb 0.73 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1nwd h ALA 88 CO 0.14 -0.21 0.24 0.35 0.00 0.00 0.00 179.25 179.77 1nwd h PHE 89 N 0.59 0.74 -0.00 0.00 3.04 -1.01 -2.50 116.94 117.80 1nwd h PHE 89 Ca 0.45 -0.04 -0.13 0.00 3.98 0.00 0.00 57.97 62.23 1nwd h PHE 89 Cb 0.86 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.12 1nwd h PHE 89 CO -0.00 0.58 -0.62 0.00 -2.02 0.00 0.00 178.31 176.25 1nwd h ARG 90 N 0.68 0.01 -0.75 1.11 3.08 -0.51 -2.30 114.38 115.68 1nwd h ARG 90 Ca 0.17 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1nwd h ARG 90 Cb 0.13 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1nwd h ARG 90 CO -0.02 0.63 0.49 0.28 -1.07 0.00 0.00 179.97 180.27 1nwd h VAL 91 N 0.00 1.20 0.30 2.04 2.07 -0.91 -3.12 116.25 117.83 1nwd h VAL 91 Ca -0.01 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1nwd h VAL 91 Cb 1.10 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1nwd h VAL 91 CO 0.08 0.20 -0.15 -0.26 0.02 0.00 0.00 177.57 177.46 1nwd h PHE 92 N 1.03 -0.38 -3.26 1.57 0.04 -1.32 -3.47 116.94 111.16 1nwd h PHE 92 Ca 0.27 -0.01 -0.57 0.00 2.80 0.00 0.00 57.97 60.46 1nwd h PHE 92 Cb -0.10 0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.13 1nwd h PHE 92 CO 0.00 -0.03 -0.04 -0.51 -0.60 0.00 0.00 178.31 177.13 1nwd s ASP 93 N -5.14 7.01 -0.04 2.17 1.01 -0.88 -4.64 116.67 116.16 1nwd s ASP 93 Ca -0.13 1.20 0.07 0.00 0.71 0.00 0.00 52.55 54.40 1nwd s ASP 93 Cb 0.01 -2.35 0.26 0.00 1.01 0.00 0.00 42.92 41.85 1nwd s ASP 93 CO 0.48 0.20 1.09 0.29 0.21 0.00 0.00 175.17 177.44 1nwd n LYS 94 N 2.16 1.96 0.03 8.23 4.76 -1.26 -4.44 118.16 129.60 1nwd n LYS 94 Ca -0.09 -1.03 0.00 0.00 -2.87 0.00 0.00 58.31 54.32 1nwd n LYS 94 Cb 0.51 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.24 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 0.25 -0.37 -2.04 4.39 5.75 -1.26 -5.13 116.55 118.14 1nwd n ASP 95 Ca 0.09 0.11 -0.03 0.00 -0.01 0.00 0.00 54.79 54.95 1nwd n ASP 95 Cb 0.38 0.59 0.00 0.00 -1.03 0.00 0.00 41.12 41.07 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 -0.14 -0.93 2.51 6.12 0.00 -1.26 -5.01 105.19 106.48 1nwd n GLY 96 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.45 5.69 -3.66 1.61 6.94 -1.26 -4.88 115.26 119.26 1nwd n ASN 97 Ca 0.05 -3.76 -0.28 0.00 -0.02 0.00 0.00 54.58 50.57 1nwd n ASN 97 Cb 0.19 -0.64 0.01 0.00 -2.36 0.00 0.00 39.78 36.99 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 -0.57 -0.49 3.64 4.83 0.00 -1.26 -4.96 105.19 106.39 1nwd n GLY 98 Ca 0.45 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.17 -0.73 -0.35 1.61 2.02 -1.26 -4.05 117.35 111.42 1nwd s TYR 99 Ca 0.55 1.48 -0.06 0.00 -0.37 0.00 0.00 57.07 58.67 1nwd s TYR 99 Cb -0.28 0.44 0.05 0.00 -0.40 0.00 0.00 41.96 41.77 1nwd s TYR 99 CO 0.68 -0.36 0.12 0.42 -1.57 0.00 0.00 175.55 174.84 1nwd s ILE 100 N 1.39 3.70 0.58 2.71 1.01 -0.71 -4.71 121.20 125.16 1nwd s ILE 100 Ca -0.09 -1.29 -0.17 0.00 0.00 0.00 0.00 60.65 59.10 1nwd s ILE 100 Cb -0.04 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.22 1nwd s ILE 100 CO -0.16 -0.27 1.09 -0.94 0.00 0.00 0.00 174.94 174.66 1nwd s SER 101 N 1.53 5.70 0.22 3.58 1.04 -1.26 -1.19 113.70 123.33 1nwd s SER 101 Ca -0.01 1.98 -0.08 0.00 0.48 0.00 0.00 55.95 58.32 1nwd s SER 101 Cb -0.20 -2.55 0.32 0.00 0.10 0.00 0.00 66.02 63.68 1nwd s SER 101 CO 0.02 -1.22 1.76 0.00 0.98 0.00 0.00 173.24 174.77 1nwd h ALA 102 N 0.74 0.91 -0.77 5.32 0.00 -1.99 -2.07 119.26 121.40 1nwd h ALA 102 Ca -0.48 0.07 0.11 0.00 0.00 0.00 0.00 54.91 54.61 1nwd h ALA 102 Cb 1.24 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1nwd h ALA 102 CO 0.57 -0.12 0.40 0.00 0.00 0.00 0.00 179.25 180.10 1nwd h ALA 103 N 1.43 1.10 -0.49 0.00 0.00 -1.95 -0.69 119.26 118.66 1nwd h ALA 103 Ca 0.34 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.18 1nwd h ALA 103 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1nwd h ALA 103 CO -0.29 -0.03 -0.19 0.93 0.00 0.00 0.00 179.25 179.67 1nwd h GLU 104 N 0.65 0.98 -0.27 0.00 5.08 -1.79 -2.87 114.58 116.37 1nwd h GLU 104 Ca 0.39 -0.40 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1nwd h GLU 104 Cb 0.44 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1nwd h GLU 104 CO -0.29 1.08 -0.10 1.25 -1.00 0.00 0.00 179.01 179.95 1nwd h LEU 105 N 0.86 0.55 -1.05 1.33 6.46 -0.63 -2.76 115.31 120.06 1nwd h LEU 105 Ca 0.12 -0.39 -0.09 0.00 -0.12 0.00 0.00 57.88 57.40 1nwd h LEU 105 Cb 0.76 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1nwd h LEU 105 CO 0.06 0.81 -0.32 0.08 -0.62 0.00 0.00 178.44 178.45 1nwd h ARG 106 N 0.28 0.28 0.34 1.25 0.11 -1.26 -3.18 114.38 112.19 1nwd h ARG 106 Ca 0.06 -0.11 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 1nwd h ARG 106 Cb 0.59 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1nwd h ARG 106 CO 0.03 0.57 -0.16 0.45 0.10 0.00 0.00 179.97 180.96 1nwd h HIS 107 N 0.24 -0.42 -0.35 4.08 3.86 -1.32 -0.57 115.15 120.67 1nwd h HIS 107 Ca 0.03 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1nwd h HIS 107 Cb 0.69 0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.28 1nwd h HIS 107 CO 0.01 -0.20 0.19 -0.24 0.86 0.00 0.00 177.93 178.55 1nwd h VAL 108 N -0.55 1.11 0.23 2.45 3.04 -1.57 -0.44 116.25 120.51 1nwd h VAL 108 Ca -0.05 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 1nwd h VAL 108 Cb 0.41 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.33 1nwd h VAL 108 CO 0.08 0.12 -0.11 0.24 -1.01 0.00 0.00 177.57 176.89 1nwd h MET 109 N 0.48 -0.29 -0.69 4.17 2.07 -1.52 -3.31 114.93 115.84 1nwd h MET 109 Ca 0.13 0.02 0.07 0.00 -2.07 0.00 0.00 59.70 57.85 1nwd h MET 109 Cb 0.01 0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 29.77 1nwd h MET 109 CO -0.02 0.06 0.46 1.15 1.07 0.00 0.00 176.91 179.63 1nwd h THR 110 N -0.73 0.98 -0.42 2.22 2.02 -0.76 -0.67 112.91 115.55 1nwd h THR 110 Ca -0.03 -0.23 0.09 0.00 0.77 0.00 0.00 66.41 67.01 1nwd h THR 110 Cb 0.49 0.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.07 1nwd h THR 110 CO 0.05 0.12 -0.27 -1.13 0.37 0.00 0.00 175.52 174.66 1nwd h ASN 111 N 0.66 -0.92 0.00 4.18 -0.73 -1.17 -1.66 115.58 115.95 1nwd h ASN 111 Ca 0.31 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.66 1nwd h ASN 111 Cb 0.34 0.46 0.00 0.00 0.27 0.00 0.00 38.32 39.39 1nwd h ASN 111 CO -0.10 -0.29 -0.07 -0.07 -0.37 0.00 0.00 177.43 176.54 1nwd h LEU 112 N -0.19 0.00 0.44 0.34 4.07 -1.65 -3.43 115.31 114.89 1nwd h LEU 112 Ca 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.13 1nwd h LEU 112 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1nwd h LEU 112 CO -0.54 0.41 -0.21 1.23 -1.08 0.00 0.00 178.44 178.25 1nwd h GLY 113 N -0.76 -0.62 -1.89 0.83 0.00 -1.16 -3.50 103.07 95.98 1nwd h GLY 113 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1nwd h GLY 113 CO 0.00 -0.23 0.00 1.18 0.00 0.00 0.00 176.54 177.49 1nwd n GLU 114 N -3.68 0.00 -2.63 4.80 1.02 -0.62 -4.98 120.64 114.55 1nwd n GLU 114 Ca -0.07 0.48 -0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1nwd n GLU 114 Cb 0.23 -0.46 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 1nwd n GLU 114 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nwd n LYS 115 N 0.12 -3.28 -3.89 3.49 5.02 -1.26 -5.07 118.16 113.29 1nwd n LYS 115 Ca 0.00 2.65 -0.11 0.00 -2.02 0.00 0.00 58.31 58.84 1nwd n LYS 115 Cb 0.00 -5.10 -0.10 0.00 -0.02 0.00 0.00 35.03 29.81 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1nwd s LEU 116 N -1.52 1.64 0.03 -0.35 0.05 -1.26 -5.13 118.68 112.14 1nwd s LEU 116 Ca 0.00 -0.32 -0.30 0.00 0.05 0.00 0.00 54.13 53.55 1nwd s LEU 116 Cb -0.00 0.65 -0.07 0.00 -2.05 0.00 0.00 46.19 44.72 1nwd s LEU 116 CO 0.73 -0.42 1.55 0.42 -0.55 0.00 0.00 176.35 178.08 1nwd s THR 117 N -1.82 3.35 0.05 5.48 -4.23 -1.26 -4.94 115.64 112.27 1nwd s THR 117 Ca -0.11 0.75 0.08 0.00 -1.18 0.00 0.00 61.69 61.23 1nwd s THR 117 Cb -0.05 -3.49 -0.22 0.00 1.34 0.00 0.00 72.50 70.08 1nwd s THR 117 CO -0.01 -0.01 1.01 0.44 -0.54 0.00 0.00 174.62 175.51 1nwd h ASP 118 N 8.17 0.04 -0.25 3.99 5.19 -2.00 -3.34 116.42 128.21 1nwd h ASP 118 Ca -0.40 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 55.95 1nwd h ASP 118 Cb 1.19 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1nwd h ASP 118 CO 0.92 1.04 0.14 1.05 -3.12 0.00 0.00 179.24 179.27 1nwd h GLU 119 N 0.01 0.38 -0.31 3.56 4.11 -1.99 -0.54 114.58 119.80 1nwd h GLU 119 Ca -0.14 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.24 1nwd h GLU 119 Cb 1.89 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 1nwd h GLU 119 CO 0.11 0.30 0.13 0.93 0.07 0.00 0.00 179.01 180.56 1nwd h GLU 120 N 0.39 0.46 -0.30 1.06 3.07 -1.99 -1.35 114.58 115.92 1nwd h GLU 120 Ca 0.10 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1nwd h GLU 120 Cb 0.04 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1nwd h GLU 120 CO -0.02 0.46 0.03 0.28 -1.40 0.00 0.00 179.01 178.36 1nwd h VAL 121 N 0.36 1.16 -0.09 3.13 2.07 -1.36 -1.78 116.25 119.74 1nwd h VAL 121 Ca 0.10 -0.60 -0.24 0.00 0.82 0.00 0.00 66.70 66.79 1nwd h VAL 121 Cb 0.16 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1nwd h VAL 121 CO -0.01 0.21 -0.87 0.44 0.02 0.00 0.00 177.57 177.36 1nwd h ASP 122 N 0.43 0.88 -0.51 0.57 3.32 -1.11 -3.29 116.42 116.70 1nwd h ASP 122 Ca 0.10 -0.62 0.05 0.00 0.02 0.00 0.00 57.03 56.57 1nwd h ASP 122 Cb 0.23 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.47 1nwd h ASP 122 CO 0.00 1.42 0.25 -0.33 -1.72 0.00 0.00 179.24 178.86 1nwd h GLU 123 N 0.46 0.47 -0.86 3.56 4.39 -0.85 -2.70 114.58 119.06 1nwd h GLU 123 Ca -0.08 -0.03 0.21 0.00 0.34 0.00 0.00 59.36 59.81 1nwd h GLU 123 Cb 1.50 -0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.92 1nwd h GLU 123 CO 0.17 0.31 0.27 0.52 -1.16 0.00 0.00 179.01 179.13 1nwd h MET 124 N 0.48 0.27 0.58 2.33 2.86 -1.41 -0.56 114.93 119.48 1nwd h MET 124 Ca 0.23 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1nwd h MET 124 Cb 0.16 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.76 1nwd h MET 124 CO -0.17 0.18 -0.28 0.82 1.06 0.00 0.00 176.91 178.52 1nwd h ILE 125 N 0.28 0.00 -0.88 -1.22 2.04 -1.60 -3.32 117.51 112.82 1nwd h ILE 125 Ca 0.53 -0.42 0.16 0.00 1.00 0.00 0.00 64.86 66.13 1nwd h ILE 125 Cb 1.01 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.00 1nwd h ILE 125 CO -0.59 0.00 0.46 0.03 0.00 0.00 0.00 178.15 178.05 1nwd h ARG 126 N -1.19 0.61 -1.13 2.37 3.08 -1.17 -0.71 114.38 116.24 1nwd h ARG 126 Ca -0.08 -0.04 0.32 0.00 0.07 0.00 0.00 59.98 60.26 1nwd h ARG 126 Cb 0.59 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.45 1nwd h ARG 126 CO 0.13 0.40 0.80 0.93 -1.07 0.00 0.00 179.97 181.16 1nwd h GLU 127 N 0.62 0.06 -0.99 0.04 4.39 -1.20 -2.97 114.58 114.53 1nwd h GLU 127 Ca 0.49 -0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.81 1nwd h GLU 127 Cb 0.72 -0.01 -0.27 0.00 -0.10 0.00 0.00 28.75 29.09 1nwd h GLU 127 CO -0.38 0.04 -0.81 0.00 -1.16 0.00 0.00 179.01 176.71 1nwd n ALA 128 N -2.71 0.53 -2.57 3.43 0.00 -0.71 -5.12 120.51 113.37 1nwd n ALA 128 Ca 0.25 -2.40 -0.38 0.00 0.00 0.00 0.00 53.44 50.91 1nwd n ALA 128 Cb 1.16 -1.06 -0.06 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.60 6.74 0.01 0.00 2.15 -0.35 -4.78 116.67 118.84 1nwd s ASP 129 Ca 0.32 0.88 -0.04 0.00 0.43 0.00 0.00 52.55 54.15 1nwd s ASP 129 Cb 0.25 -2.23 -0.02 0.00 -0.30 0.00 0.00 42.92 40.62 1nwd s ASP 129 CO -0.14 0.29 -0.08 -0.38 -0.17 0.00 0.00 175.17 174.69 1nwd n ILE 130 N 2.13 1.07 0.00 4.11 5.41 -1.26 -4.94 119.36 125.88 1nwd n ILE 130 Ca -0.14 0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1nwd n ILE 130 Cb 0.52 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.74 1nwd n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1nwd n ASP 131 N -3.61 0.00 0.00 4.38 5.68 -1.26 -4.95 116.55 116.79 1nwd n ASP 131 Ca -0.05 0.81 0.00 0.00 -0.50 0.00 0.00 54.79 55.05 1nwd n ASP 131 Cb 0.23 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.87 1nwd n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nwd n GLY 132 N -0.69 0.00 3.83 6.12 0.00 -1.26 -5.01 105.19 108.18 1nwd n GLY 132 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1nwd n GLY 132 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nwd n ASP 133 N 0.00 -2.44 0.00 1.61 2.03 -1.26 -4.94 116.55 111.55 1nwd n ASP 133 Ca 0.00 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.30 1nwd n ASP 133 Cb 0.00 -3.20 0.00 0.00 -0.72 0.00 0.00 41.12 37.20 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nwd n GLY 134 N -1.84 -0.04 3.26 0.27 0.00 -1.26 -5.08 105.19 100.50 1nwd n GLY 134 Ca -0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 1nwd n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 135 N 0.00 1.07 -0.56 1.61 1.11 -1.26 -4.46 119.66 117.17 1nwd s GLN 135 Ca 0.00 -1.20 -0.22 0.00 0.01 0.00 0.00 55.36 53.95 1nwd s GLN 135 Cb 0.00 -1.15 0.05 0.00 -1.01 0.00 0.00 33.01 30.90 1nwd s GLN 135 CO 0.00 0.25 0.85 0.08 0.01 0.00 0.00 175.29 176.48 1nwd s VAL 136 N -1.62 4.52 0.97 1.09 1.01 -0.33 -4.82 120.40 121.22 1nwd s VAL 136 Ca 0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1nwd s VAL 136 Cb -0.08 -4.51 0.17 0.00 0.00 0.00 0.00 36.38 31.97 1nwd s VAL 136 CO 0.04 -1.11 1.09 0.21 0.00 0.00 0.00 175.10 175.34 1nwd s ASN 137 N 3.01 2.86 0.13 3.32 3.84 -1.26 -1.74 114.94 125.10 1nwd s ASN 137 Ca 0.24 1.27 -0.18 0.00 0.21 0.00 0.00 52.86 54.39 1nwd s ASN 137 Cb -0.16 -1.94 -0.03 0.00 -0.55 0.00 0.00 41.25 38.58 1nwd s ASN 137 CO 0.15 -3.00 1.77 0.22 -2.79 0.00 0.00 177.10 173.46 1nwd h TYR 138 N -1.80 0.27 -0.31 0.43 3.20 -1.97 -0.45 116.97 116.33 1nwd h TYR 138 Ca -0.53 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.41 1nwd h TYR 138 Cb 1.32 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 39.42 1nwd h TYR 138 CO 0.33 0.16 -0.36 0.93 -1.64 0.00 0.00 178.16 177.57 1nwd h GLU 139 N 0.30 -0.32 -0.50 1.82 5.08 -1.94 -1.14 114.58 117.87 1nwd h GLU 139 Ca 0.10 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1nwd h GLU 139 Cb 0.01 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1nwd h GLU 139 CO -0.06 -0.21 0.33 1.49 -1.00 0.00 0.00 179.01 179.56 1nwd h GLU 140 N -0.33 0.65 -0.68 2.33 4.81 -1.88 -2.02 114.58 117.46 1nwd h GLU 140 Ca 0.14 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 1nwd h GLU 140 Cb 0.57 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 1nwd h GLU 140 CO -0.49 0.43 0.41 0.35 -0.73 0.00 0.00 179.01 178.97 1nwd h PHE 141 N 0.67 0.75 0.30 0.92 3.57 -0.53 -0.94 116.94 121.68 1nwd h PHE 141 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1nwd h PHE 141 Cb -0.07 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.43 1nwd h PHE 141 CO -0.04 0.40 -0.14 0.28 -2.23 0.00 0.00 178.31 176.58 1nwd h VAL 142 N 0.77 0.73 0.00 1.41 2.07 -1.14 -3.09 116.25 117.00 1nwd h VAL 142 Ca 0.29 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1nwd h VAL 142 Cb 0.09 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1nwd h VAL 142 CO -0.14 0.05 0.00 0.00 0.02 0.00 0.00 177.57 177.50 1nwd n GLN 143 N -5.21 0.89 -0.08 1.57 1.13 -0.77 -0.38 117.38 114.52 1nwd n GLN 143 Ca -0.10 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.78 1nwd n GLN 143 Cb 0.21 -1.20 -0.06 0.00 0.11 0.00 0.00 30.24 29.30 1nwd n GLN 143 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1nwd n MET 144 N 0.37 0.35 -0.01 -1.09 2.81 -0.42 -4.17 117.12 114.96 1nwd n MET 144 Ca 0.00 0.15 0.14 0.00 -1.81 0.00 0.00 57.70 56.19 1nwd n MET 144 Cb 0.36 -1.09 0.69 0.00 -0.71 0.00 0.00 33.22 32.47 1nwd n MET 144 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1nwd n MET 145 N -3.73 1.33 -2.71 0.03 2.81 -1.02 -4.15 117.12 109.68 1nwd n MET 145 Ca -0.33 -0.48 -0.06 0.00 -1.81 0.00 0.00 57.70 55.02 1nwd n MET 145 Cb 0.73 -1.46 0.07 0.00 -0.71 0.00 0.00 33.22 31.85 1nwd n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1nwd n THR 146 N -0.39 0.68 -2.85 2.03 -1.04 0.48 -5.05 114.28 108.14 1nwd n THR 146 Ca 0.20 -2.40 -0.43 0.00 -2.04 0.00 0.00 64.05 59.39 1nwd n THR 146 Cb 0.22 0.92 -0.04 0.00 -1.82 0.00 0.00 70.33 69.61 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 -2.04 3.15 0.00 2.41 0.00 -1.26 -4.54 121.76 119.48 1nwd s ALA 147 Ca 0.24 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1nwd s ALA 147 Cb 0.42 -3.76 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1nwd s ALA 147 CO -0.03 -2.48 0.11 1.63 0.00 0.00 0.00 175.76 174.99