#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwd s ASP 2 N 0.00 5.19 -0.16 0.00 1.11 -1.26 -5.08 116.67 116.47 1nwd s ASP 2 Ca 0.00 1.42 -0.01 0.00 0.18 0.00 0.00 52.55 54.14 1nwd s ASP 2 Cb 0.00 -2.26 0.04 0.00 1.07 0.00 0.00 42.92 41.78 1nwd s ASP 2 CO 0.00 -1.54 -0.03 -1.58 1.18 0.00 0.00 175.17 173.20 1nwd s GLN 3 N -5.14 1.25 -0.04 8.23 0.74 -1.26 -5.06 119.66 118.38 1nwd s GLN 3 Ca 0.59 -0.46 -0.22 0.00 0.05 0.00 0.00 55.36 55.32 1nwd s GLN 3 Cb -0.13 -1.94 -0.16 0.00 1.10 0.00 0.00 33.01 31.88 1nwd s GLN 3 CO 0.54 -0.45 0.93 -0.07 -0.55 0.00 0.00 175.29 175.69 1nwd h LEU 4 N 8.15 -0.21 -8.43 3.68 3.38 -2.06 -3.47 115.31 116.35 1nwd h LEU 4 Ca -0.22 -0.32 -0.47 0.00 0.09 0.00 0.00 57.88 56.95 1nwd h LEU 4 Cb 1.11 0.05 -0.24 0.00 0.09 0.00 0.00 40.66 41.68 1nwd h LEU 4 CO 0.38 0.31 -0.80 -0.89 0.09 0.00 0.00 178.44 177.53 1nwd s THR 5 N -3.62 1.28 0.54 0.22 2.01 -1.26 -5.04 115.64 109.77 1nwd s THR 5 Ca -0.13 -1.18 0.26 0.00 0.31 0.00 0.00 61.69 60.94 1nwd s THR 5 Cb 0.01 -1.17 0.39 0.00 0.01 0.00 0.00 72.50 71.74 1nwd s THR 5 CO 0.48 -0.03 2.00 -0.08 -0.69 0.00 0.00 174.62 176.30 1nwd h GLU 6 N 4.64 0.00 -0.83 4.92 4.81 -2.03 -3.00 114.58 123.10 1nwd h GLU 6 Ca -0.41 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.01 1nwd h GLU 6 Cb 1.18 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.40 1nwd h GLU 6 CO 0.42 0.00 -0.15 -1.91 -0.73 0.00 0.00 179.01 176.64 1nwd n GLU 7 N -4.29 -0.07 0.02 1.92 2.13 -1.26 -1.19 120.64 117.89 1nwd n GLU 7 Ca 0.09 1.28 -0.10 0.00 0.66 0.00 0.00 57.16 59.09 1nwd n GLU 7 Cb 0.57 -1.94 -0.03 0.00 0.27 0.00 0.00 31.44 30.31 1nwd n GLU 7 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1nwd h GLN 8 N 0.00 -0.21 -0.67 5.31 1.08 -1.97 -2.10 115.11 116.54 1nwd h GLN 8 Ca 0.42 0.01 0.13 0.00 -1.45 0.00 0.00 58.65 57.77 1nwd h GLN 8 Cb 0.72 0.05 -0.10 0.00 -0.05 0.00 0.00 27.48 28.10 1nwd h GLN 8 CO -0.83 -0.14 0.15 0.82 -0.95 0.00 0.00 178.83 177.87 1nwd h ILE 9 N -0.22 0.58 -0.34 2.54 2.04 -1.38 -1.97 117.51 118.76 1nwd h ILE 9 Ca 0.08 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1nwd h ILE 9 Cb 0.34 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 1nwd h ILE 9 CO -0.22 0.05 0.10 0.00 0.00 0.00 0.00 178.15 178.08 1nwd h ALA 10 N 1.54 0.38 0.07 1.87 0.00 -1.06 -0.89 119.26 121.17 1nwd h ALA 10 Ca 0.36 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1nwd h ALA 10 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nwd h ALA 10 CO -0.46 -0.30 -0.03 0.93 0.00 0.00 0.00 179.25 179.39 1nwd h GLU 11 N 0.24 -0.09 -0.70 0.00 3.07 -1.06 -2.62 114.58 113.42 1nwd h GLU 11 Ca 0.15 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.01 1nwd h GLU 11 Cb 0.14 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 1nwd h GLU 11 CO -0.17 0.13 0.40 0.74 -1.40 0.00 0.00 179.01 178.71 1nwd h PHE 12 N -0.30 0.93 0.73 4.33 0.04 -1.19 0.60 116.94 122.09 1nwd h PHE 12 Ca -0.01 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1nwd h PHE 12 Cb 0.26 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 1nwd h PHE 12 CO -0.01 0.64 -0.47 0.87 -0.60 0.00 0.00 178.31 178.75 1nwd h LYS 13 N 0.97 -1.09 -0.30 1.51 1.57 -1.20 -2.66 116.57 115.38 1nwd h LYS 13 Ca 0.25 0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.17 1nwd h LYS 13 Cb -0.00 0.25 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 1nwd h LYS 13 CO -0.04 -0.72 -0.13 1.49 -0.57 0.00 0.00 179.45 179.48 1nwd h GLU 14 N -1.13 -0.07 0.02 3.15 4.81 -1.05 -0.85 114.58 119.46 1nwd h GLU 14 Ca -0.09 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1nwd h GLU 14 Cb 0.91 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.27 1nwd h GLU 14 CO 0.08 -0.05 -0.28 0.00 -0.73 0.00 0.00 179.01 178.04 1nwd h ALA 15 N 1.17 -0.40 -0.44 2.92 0.00 -0.95 -0.20 119.26 121.38 1nwd h ALA 15 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1nwd h ALA 15 Cb 0.31 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1nwd h ALA 15 CO -0.35 -0.79 0.10 0.35 0.00 0.00 0.00 179.25 178.57 1nwd h PHE 16 N -0.43 0.74 -0.21 0.00 3.57 -1.35 -3.04 116.94 116.21 1nwd h PHE 16 Ca 0.06 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.37 1nwd h PHE 16 Cb 0.51 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1nwd h PHE 16 CO -0.30 0.69 -0.28 0.77 -2.23 0.00 0.00 178.31 176.97 1nwd h SER 17 N 0.57 0.41 -0.03 0.41 0.02 -0.93 -0.37 113.55 113.64 1nwd h SER 17 Ca 0.14 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1nwd h SER 17 Cb 0.33 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1nwd h SER 17 CO 0.00 0.69 -0.15 0.25 -1.14 0.00 0.00 176.83 176.48 1nwd h LEU 18 N 0.36 -0.44 0.81 5.07 6.46 -1.05 -3.20 115.31 123.32 1nwd h LEU 18 Ca 0.05 0.07 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 1nwd h LEU 18 Cb 0.68 0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1nwd h LEU 18 CO 0.05 -0.21 -0.42 0.15 -0.62 0.00 0.00 178.44 177.40 1nwd h PHE 19 N -0.23 -1.09 -2.51 1.25 3.04 -1.32 -3.33 116.94 112.75 1nwd h PHE 19 Ca 0.06 -0.02 -0.73 0.00 3.98 0.00 0.00 57.97 61.26 1nwd h PHE 19 Cb 0.31 0.37 -0.19 0.00 2.56 0.00 0.00 35.95 39.00 1nwd h PHE 19 CO -0.22 -0.66 0.99 0.34 -2.02 0.00 0.00 178.31 176.74 1nwd s ASP 20 N -4.21 6.91 0.49 0.41 2.15 -0.19 -4.87 116.67 117.35 1nwd s ASP 20 Ca -0.19 -2.68 0.16 0.00 0.43 0.00 0.00 52.55 50.28 1nwd s ASP 20 Cb 0.03 -2.37 1.18 0.00 -0.30 0.00 0.00 42.92 41.47 1nwd s ASP 20 CO 0.61 -0.81 2.07 0.11 -0.17 0.00 0.00 175.17 176.98 1nwd h LYS 21 N 7.77 0.17 -0.32 4.34 1.57 -1.67 -3.18 116.57 125.25 1nwd h LYS 21 Ca 0.23 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.07 1nwd h LYS 21 Cb 0.94 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.15 1nwd h LYS 21 CO 1.14 0.11 -0.11 -0.44 -0.57 0.00 0.00 179.45 179.58 1nwd h ASP 22 N 0.17 -0.37 0.00 0.86 5.19 -1.89 -3.48 116.42 116.90 1nwd h ASP 22 Ca 0.13 0.11 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 1nwd h ASP 22 Cb 0.32 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1nwd h ASP 22 CO -0.02 -0.14 0.00 0.61 -3.12 0.00 0.00 179.24 176.57 1nwd n GLY 23 N -1.29 3.14 0.33 2.75 0.00 -1.20 -4.96 105.19 103.96 1nwd n GLY 23 Ca 0.00 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 1.03 0.59 0.00 1.61 2.03 -1.92 -3.47 116.42 116.30 1nwd h ASP 24 Ca 0.00 0.12 0.00 0.00 -0.73 0.00 0.00 57.03 56.42 1nwd h ASP 24 Cb 0.00 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.53 1nwd h ASP 24 CO 0.00 0.15 0.00 0.61 -1.03 0.00 0.00 179.24 178.97 1nwd n GLY 25 N -1.32 0.74 3.31 7.15 0.00 -1.26 -4.99 105.19 108.82 1nwd n GLY 25 Ca 0.23 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1nwd n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 26 N -1.23 -0.01 -0.15 2.61 -4.23 -1.26 -4.19 115.64 107.18 1nwd s THR 26 Ca 0.00 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 1nwd s THR 26 Cb 0.00 -0.61 0.02 0.00 1.34 0.00 0.00 72.50 73.25 1nwd s THR 26 CO 0.00 0.01 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.30 1nwd s ILE 27 N 0.62 1.76 0.27 2.99 1.01 -1.10 -4.78 121.20 121.96 1nwd s ILE 27 Ca -0.03 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1nwd s ILE 27 Cb -0.05 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1nwd s ILE 27 CO -0.04 0.49 0.14 0.28 0.00 0.00 0.00 174.94 175.81 1nwd s THR 28 N 1.33 0.31 0.38 2.92 -1.32 -1.26 -1.80 115.64 116.20 1nwd s THR 28 Ca 0.03 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.61 1nwd s THR 28 Cb -0.13 -2.55 0.32 0.00 -1.51 0.00 0.00 72.50 68.63 1nwd s THR 28 CO -0.10 0.00 1.92 0.71 -2.21 0.00 0.00 174.62 174.94 1nwd h THR 29 N 2.35 0.89 -0.29 5.08 1.35 -1.90 -1.63 112.91 118.76 1nwd h THR 29 Ca -0.35 -0.21 -0.16 0.00 -0.55 0.00 0.00 66.41 65.14 1nwd h THR 29 Cb 1.25 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1nwd h THR 29 CO 0.54 0.11 -0.45 0.11 -0.25 0.00 0.00 175.52 175.58 1nwd h LYS 30 N 0.61 0.81 -0.25 4.72 6.56 -1.97 -0.22 116.57 126.83 1nwd h LYS 30 Ca 0.37 -0.49 -0.02 0.00 -1.06 0.00 0.00 60.65 59.44 1nwd h LYS 30 Cb 0.59 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.28 1nwd h LYS 30 CO -0.14 1.12 0.07 1.49 -2.06 0.00 0.00 179.45 179.94 1nwd h GLU 31 N 0.58 0.40 -0.59 3.15 4.81 -1.79 0.40 114.58 121.55 1nwd h GLU 31 Ca 0.03 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1nwd h GLU 31 Cb 1.05 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 1nwd h GLU 31 CO 0.10 0.49 0.32 -0.07 -0.73 0.00 0.00 179.01 179.13 1nwd h LEU 32 N 0.24 0.48 -0.72 1.64 -0.00 -1.36 -1.99 115.31 113.60 1nwd h LEU 32 Ca 0.08 0.02 0.10 0.00 -0.00 0.00 0.00 57.88 58.08 1nwd h LEU 32 Cb 0.26 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 40.78 1nwd h LEU 32 CO -0.00 0.33 0.36 1.23 -0.00 0.00 0.00 178.44 180.35 1nwd h GLY 33 N 0.61 1.08 0.80 0.83 0.00 -0.68 -1.52 103.07 104.20 1nwd h GLY 33 Ca 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1nwd h GLY 33 CO -0.16 0.05 -0.20 -0.84 0.00 0.00 0.00 176.54 175.39 1nwd h THR 34 N 0.60 0.55 -0.11 4.70 2.02 -0.58 -1.78 112.91 118.32 1nwd h THR 34 Ca 0.36 -0.34 0.03 0.00 0.77 0.00 0.00 66.41 67.23 1nwd h THR 34 Cb 0.38 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1nwd h THR 34 CO -0.28 0.06 -0.05 0.58 0.37 0.00 0.00 175.52 176.20 1nwd h VAL 35 N -0.78 0.82 -0.24 3.16 2.07 -1.27 -0.53 116.25 119.49 1nwd h VAL 35 Ca -0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1nwd h VAL 35 Cb 0.54 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1nwd h VAL 35 CO 0.10 0.00 0.01 0.24 0.02 0.00 0.00 177.57 177.93 1nwd h MET 36 N -0.05 0.42 -0.52 1.57 2.86 -1.34 -1.90 114.93 115.97 1nwd h MET 36 Ca 0.06 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1nwd h MET 36 Cb 0.14 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1nwd h MET 36 CO -0.14 0.59 -0.10 -0.09 1.06 0.00 0.00 176.91 178.23 1nwd h ARG 37 N 0.20 0.97 -0.48 1.72 2.43 -0.70 0.13 114.38 118.64 1nwd h ARG 37 Ca 0.07 -0.34 0.06 0.00 -0.81 0.00 0.00 59.98 58.95 1nwd h ARG 37 Cb 0.40 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.83 1nwd h ARG 37 CO 0.01 1.01 0.19 1.03 -1.51 0.00 0.00 179.97 180.71 1nwd h SER 38 N 0.86 0.23 0.73 -3.80 0.87 -1.07 -3.04 113.55 108.32 1nwd h SER 38 Ca 0.14 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1nwd h SER 38 Cb 0.65 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1nwd h SER 38 CO 0.04 0.16 -0.35 0.25 -0.53 0.00 0.00 176.83 176.41 1nwd h LEU 39 N 0.38 -0.82 0.00 2.23 5.85 -1.14 -3.48 115.31 118.33 1nwd h LEU 39 Ca 0.22 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1nwd h LEU 39 Cb 0.20 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1nwd h LEU 39 CO -0.21 -0.54 0.00 0.61 -0.34 0.00 0.00 178.44 177.96 1nwd n GLY 40 N -1.28 -0.06 3.23 3.75 0.00 -0.13 -5.11 105.19 105.59 1nwd n GLY 40 Ca -0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 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 0.39 -0.54 1.61 -0.21 -0.27 -4.99 119.66 115.65 1nwd s GLN 41 Ca 0.00 0.58 0.04 0.00 0.02 0.00 0.00 55.36 56.00 1nwd s GLN 41 Cb 0.00 0.11 0.16 0.00 1.00 0.00 0.00 33.01 34.28 1nwd s GLN 41 CO 0.00 -0.09 0.38 1.21 -2.12 0.00 0.00 175.29 174.67 1nwd s ASN 42 N 0.63 3.33 1.01 5.90 2.47 -1.26 -2.03 114.94 124.99 1nwd s ASN 42 Ca -0.04 -3.29 -0.03 0.00 0.42 0.00 0.00 52.86 49.92 1nwd s ASN 42 Cb -0.05 -1.07 0.04 0.00 -1.45 0.00 0.00 41.25 38.73 1nwd s ASN 42 CO -0.04 -0.16 0.23 -0.81 -3.72 0.00 0.00 177.10 172.61 1nwd n PRO 43 N 2.64 -0.52 0.00 0.43 -0.04 -1.26 -5.10 135.00 131.15 1nwd n PRO 43 Ca 0.21 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 1nwd n PRO 43 Cb 0.40 -0.26 0.00 0.00 -0.04 0.00 0.00 33.50 33.59 1nwd n PRO 43 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1nwd n THR 44 N -2.48 0.00 -0.07 0.52 -2.24 -1.26 -5.06 114.28 103.69 1nwd n THR 44 Ca 0.03 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1nwd n THR 44 Cb 0.11 -1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 66.97 1nwd n THR 44 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1nwd n GLU 45 N -0.59 0.31 -0.11 -0.78 0.00 -1.26 -4.49 120.64 113.73 1nwd n GLU 45 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 57.16 57.20 1nwd n GLU 45 Cb 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 31.44 30.34 1nwd n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nwd h ALA 46 N -0.30 0.47 -0.69 4.31 0.00 -2.00 -2.35 119.26 118.70 1nwd h ALA 46 Ca -0.34 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1nwd h ALA 46 Cb 1.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1nwd h ALA 46 CO -0.15 -0.15 0.29 0.93 0.00 0.00 0.00 179.25 180.17 1nwd h GLU 47 N 0.41 1.02 -0.46 0.00 5.08 -1.99 -2.16 114.58 116.48 1nwd h GLU 47 Ca 0.15 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1nwd h GLU 47 Cb 0.04 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1nwd h GLU 47 CO -0.09 0.83 0.30 -0.07 -1.00 0.00 0.00 179.01 178.98 1nwd h LEU 48 N 0.98 0.51 0.27 1.33 3.38 -1.71 -1.09 115.31 118.98 1nwd h LEU 48 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1nwd h LEU 48 Cb 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1nwd h LEU 48 CO -0.02 0.37 -0.13 -0.61 0.09 0.00 0.00 178.44 178.14 1nwd h GLN 49 N 0.61 -0.35 -0.65 1.13 4.15 -1.19 -3.35 115.11 115.45 1nwd h GLN 49 Ca 0.17 0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.62 1nwd h GLN 49 Cb -0.05 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1nwd h GLN 49 CO -0.04 -0.23 0.43 -0.44 -1.93 0.00 0.00 178.83 176.62 1nwd h ASP 50 N -0.46 0.75 -0.49 -0.69 3.32 -1.24 -0.93 116.42 116.69 1nwd h ASP 50 Ca -0.04 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1nwd h ASP 50 Cb 0.28 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1nwd h ASP 50 CO 0.06 0.55 0.21 0.00 -1.72 0.00 0.00 179.24 178.34 1nwd h MET 51 N 0.89 0.78 0.00 3.56 -0.00 -1.38 -0.38 114.93 118.40 1nwd h MET 51 Ca 0.24 -0.12 -0.02 0.00 -0.00 0.00 0.00 59.70 59.80 1nwd h MET 51 Cb -0.09 -0.14 -0.00 0.00 -0.00 0.00 0.00 31.60 31.36 1nwd h MET 51 CO -0.05 0.64 -0.25 0.82 -0.00 0.00 0.00 176.91 178.07 1nwd h ILE 52 N 0.77 0.35 0.00 -0.10 1.08 -1.61 -3.38 117.51 114.62 1nwd h ILE 52 Ca 0.18 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.34 1nwd h ILE 52 Cb 0.16 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 34.62 1nwd h ILE 52 CO -0.02 0.12 0.04 0.59 -0.69 0.00 0.00 178.15 178.19 1nwd n ASN 53 N -4.68 0.42 -0.11 1.72 3.02 -0.38 -2.14 115.26 113.11 1nwd n ASN 53 Ca -0.06 0.68 0.04 0.00 -0.03 0.00 0.00 54.58 55.21 1nwd n ASN 53 Cb 0.21 -0.72 0.08 0.00 -0.61 0.00 0.00 39.78 38.74 1nwd n ASN 53 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1nwd n GLU 54 N -2.07 -0.02 0.00 3.52 2.13 -0.16 -1.07 120.64 122.97 1nwd n GLU 54 Ca -0.01 0.46 0.08 0.00 0.66 0.00 0.00 57.16 58.35 1nwd n GLU 54 Cb 0.07 -0.73 0.03 0.00 0.27 0.00 0.00 31.44 31.08 1nwd n GLU 54 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1nwd n VAL 55 N -4.26 0.00 -2.84 6.31 0.31 -0.91 -4.93 118.33 112.00 1nwd n VAL 55 Ca 0.07 -0.42 -0.43 0.00 -0.01 0.00 0.00 64.34 63.56 1nwd n VAL 55 Cb 0.23 1.27 -0.04 0.00 -0.91 0.00 0.00 33.84 34.38 1nwd n VAL 55 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1nwd s ASP 56 N -1.63 6.55 0.06 4.52 1.01 -0.23 -3.87 116.67 123.07 1nwd s ASP 56 Ca 0.16 0.26 -0.27 0.00 0.71 0.00 0.00 52.55 53.41 1nwd s ASP 56 Cb 0.13 -2.44 -0.17 0.00 1.01 0.00 0.00 42.92 41.45 1nwd s ASP 56 CO 0.30 -0.95 1.55 0.00 0.21 0.00 0.00 175.17 176.28 1nwd h ALA 57 N 8.83 -0.45 0.03 5.23 0.00 -1.85 -3.29 119.26 127.76 1nwd h ALA 57 Ca -0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nwd h ALA 57 Cb 1.08 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1nwd h ALA 57 CO 0.99 -0.70 -0.01 0.38 0.00 0.00 0.00 179.25 179.91 1nwd h ASP 58 N -0.56 -0.03 -4.38 0.00 2.03 -1.92 -3.49 116.42 108.07 1nwd h ASP 58 Ca -0.05 -0.28 -0.21 0.00 -0.73 0.00 0.00 57.03 55.76 1nwd h ASP 58 Cb 0.42 0.01 0.11 0.00 -0.83 0.00 0.00 39.33 39.04 1nwd h ASP 58 CO 0.08 0.27 -0.50 0.61 -1.03 0.00 0.00 179.24 178.66 1nwd n GLY 59 N -0.31 -0.08 0.13 7.15 0.00 -1.24 -4.98 105.19 105.85 1nwd n GLY 59 Ca -0.08 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 1nwd n GLY 59 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1nwd h ASN 60 N -1.24 0.43 0.00 1.61 -1.07 -1.94 -3.50 115.58 109.88 1nwd h ASN 60 Ca -0.38 -0.72 0.00 0.00 0.07 0.00 0.00 56.30 55.27 1nwd h ASN 60 Cb 1.22 -0.13 0.00 0.00 -2.07 0.00 0.00 38.32 37.34 1nwd h ASN 60 CO 0.33 1.09 0.00 0.61 0.07 0.00 0.00 177.43 179.52 1nwd n GLY 61 N 0.92 0.99 3.76 9.14 0.00 -1.26 -5.14 105.19 113.60 1nwd n GLY 61 Ca -0.09 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 2.75 -0.55 2.61 -4.23 -1.26 -4.83 115.64 110.13 1nwd s THR 62 Ca 0.00 0.50 -0.09 0.00 -1.18 0.00 0.00 61.69 60.92 1nwd s THR 62 Cb 0.00 -3.22 0.14 0.00 1.34 0.00 0.00 72.50 70.76 1nwd s THR 62 CO 0.00 -0.07 0.42 -0.63 -0.54 0.00 0.00 174.62 173.80 1nwd s ILE 63 N -1.58 4.29 1.15 2.99 -1.09 -0.75 -4.91 121.20 121.30 1nwd s ILE 63 Ca 0.73 -2.10 -0.19 0.00 -2.23 0.00 0.00 60.65 56.87 1nwd s ILE 63 Cb -0.30 -3.79 0.27 0.00 -1.58 0.00 0.00 42.46 37.05 1nwd s ILE 63 CO 0.34 -0.83 1.17 -1.81 -1.23 0.00 0.00 174.94 172.58 1nwd s ASP 64 N 2.23 1.42 0.14 3.58 1.01 -1.26 -2.71 116.67 121.08 1nwd s ASP 64 Ca 0.09 0.51 -0.29 0.00 0.71 0.00 0.00 52.55 53.58 1nwd s ASP 64 Cb -0.23 -0.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.97 1nwd s ASP 64 CO -0.02 -3.80 1.58 0.15 0.21 0.00 0.00 175.17 173.28 1nwd h PHE 65 N -2.36 -1.23 -0.70 4.23 3.04 -1.95 -2.02 116.94 115.96 1nwd h PHE 65 Ca -0.44 0.06 -0.02 0.00 3.98 0.00 0.00 57.97 61.54 1nwd h PHE 65 Cb 1.28 0.57 -0.03 0.00 2.56 0.00 0.00 35.95 40.32 1nwd h PHE 65 CO -1.97 -0.47 0.34 -1.00 -2.02 0.00 0.00 178.31 173.19 1nwd h PRO 66 N -0.44 1.00 -0.73 6.41 0.13 -1.97 -3.02 132.00 133.37 1nwd h PRO 66 Ca 0.09 -0.14 0.05 0.00 -0.87 0.00 0.00 66.00 65.13 1nwd h PRO 66 Cb 0.61 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 31.51 1nwd h PRO 66 CO -0.45 0.78 0.44 0.93 -0.23 0.00 0.00 178.00 179.47 1nwd h GLU 67 N 0.97 0.80 0.05 0.86 5.08 -1.81 -1.14 114.58 119.38 1nwd h GLU 67 Ca 0.24 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nwd h GLU 67 Cb 0.10 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1nwd h GLU 67 CO -0.03 0.53 -0.02 0.35 -1.00 0.00 0.00 179.01 178.84 1nwd h PHE 68 N 0.83 -0.06 -0.48 4.33 3.57 -1.31 -0.68 116.94 123.14 1nwd h PHE 68 Ca 0.31 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.91 1nwd h PHE 68 Cb 0.11 0.02 -0.10 0.00 2.79 0.00 0.00 35.95 38.78 1nwd h PHE 68 CO -0.05 0.39 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.18 1nwd h LEU 69 N -0.54 -0.59 0.67 0.59 4.07 -1.50 -2.93 115.31 115.08 1nwd h LEU 69 Ca -0.01 0.16 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 1nwd h LEU 69 Cb 0.48 0.35 0.01 0.00 1.08 0.00 0.00 40.66 42.57 1nwd h LEU 69 CO 0.01 -0.20 -0.33 0.74 -1.08 0.00 0.00 178.44 177.58 1nwd h THR 70 N -0.06 0.34 -0.91 0.22 2.02 -1.19 -0.71 112.91 112.61 1nwd h THR 70 Ca 0.23 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.63 1nwd h THR 70 Cb 0.41 0.34 -0.17 0.00 -1.74 0.00 0.00 68.15 66.99 1nwd h THR 70 CO -0.52 0.00 -0.06 -0.03 0.37 0.00 0.00 175.52 175.27 1nwd h MET 71 N -0.90 0.03 0.10 6.66 1.85 -0.95 0.15 114.93 121.87 1nwd h MET 71 Ca -0.09 -0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.86 1nwd h MET 71 Cb 0.69 -0.01 0.02 0.00 0.43 0.00 0.00 31.60 32.73 1nwd h MET 71 CO 0.15 0.02 -0.60 0.52 -0.40 0.00 0.00 176.91 176.59 1nwd h MET 72 N 0.03 0.24 0.00 0.39 2.07 -1.52 -3.39 114.93 112.75 1nwd h MET 72 Ca 0.50 -0.39 0.00 0.00 -2.07 0.00 0.00 59.70 57.74 1nwd h MET 72 Cb 0.91 0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.78 1nwd h MET 72 CO -0.87 1.17 0.00 0.00 1.07 0.00 0.00 176.91 178.28 1nwd n ALA 73 N -2.65 0.00 0.06 6.32 0.00 -0.28 -4.81 120.51 119.15 1nwd n ALA 73 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.21 1nwd n ALA 73 Cb 0.73 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.10 1nwd n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwd h ARG 74 N 0.00 -0.22 0.00 0.00 -0.00 -1.27 -3.48 114.38 109.40 1nwd h ARG 74 Ca 0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.50 1nwd h ARG 74 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.02 1nwd h ARG 74 CO 0.00 0.19 0.00 1.17 0.00 0.00 0.00 179.97 181.33 1nwd n LYS 75 N -4.93 0.00 -1.19 0.04 0.00 0.36 -3.77 118.16 108.66 1nwd n LYS 75 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.23 1nwd n LYS 75 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.29 1nwd n LYS 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 1nwd n MET 76 N 2.63 -3.27 -2.17 1.64 2.81 -1.25 -4.51 117.12 113.00 1nwd n MET 76 Ca 0.00 2.37 -0.31 0.00 -1.81 0.00 0.00 57.70 57.96 1nwd n MET 76 Cb 0.00 -2.59 -0.05 0.00 -0.71 0.00 0.00 33.22 29.88 1nwd n MET 76 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1nwd s LYS 77 N -2.72 2.81 0.13 0.03 2.36 -1.26 -4.69 119.74 116.40 1nwd s LYS 77 Ca 0.00 -0.83 -0.02 0.00 -2.55 0.00 0.00 55.97 52.56 1nwd s LYS 77 Cb 0.00 -5.20 0.01 0.00 -1.05 0.00 0.00 37.83 31.59 1nwd s LYS 77 CO 0.00 -3.30 0.21 -3.47 1.55 0.00 0.00 175.35 170.34 1nwd n ASP 78 N 12.88 -0.59 0.00 1.43 -0.08 -1.26 -4.69 116.55 124.24 1nwd n ASP 78 Ca 0.41 -1.61 0.00 0.00 -1.51 0.00 0.00 54.79 52.09 1nwd n ASP 78 Cb 0.47 1.04 0.00 0.00 2.34 0.00 0.00 41.12 44.98 1nwd n ASP 78 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1nwd n THR 79 N -0.19 0.00 -2.06 5.18 -2.24 -1.26 -4.44 114.28 109.26 1nwd n THR 79 Ca -0.01 0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.63 1nwd n THR 79 Cb 0.20 -0.58 -0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1nwd n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nwd n ASP 80 N -0.40 6.28 -0.01 3.42 -0.08 -1.26 -4.77 116.55 119.74 1nwd n ASP 80 Ca 0.00 -3.04 -0.13 0.00 -1.51 0.00 0.00 54.79 50.11 1nwd n ASP 80 Cb 0.00 -1.47 -0.09 0.00 2.34 0.00 0.00 41.12 41.90 1nwd n ASP 80 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1nwd h SER 81 N 5.32 0.02 0.25 1.67 0.02 -1.82 -3.21 113.55 115.80 1nwd h SER 81 Ca 0.56 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1nwd h SER 81 Cb 0.49 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1nwd h SER 81 CO 1.62 0.41 -0.15 1.05 -1.14 0.00 0.00 176.83 178.62 1nwd h GLU 82 N -0.36 0.00 -0.02 3.45 4.11 -1.79 -2.59 114.58 117.38 1nwd h GLU 82 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1nwd h GLU 82 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nwd h GLU 82 CO 0.00 0.15 -0.01 1.49 0.07 0.00 0.00 179.01 180.71 1nwd h GLU 83 N 0.00 0.02 -0.17 1.06 4.57 -1.84 -2.64 114.58 115.59 1nwd h GLU 83 Ca -0.00 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1nwd h GLU 83 Cb 0.31 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1nwd h GLU 83 CO 0.02 0.04 0.07 0.93 -1.18 0.00 0.00 179.01 178.89 1nwd h GLU 84 N 0.02 0.25 -0.04 1.92 5.08 -1.59 -0.00 114.58 120.23 1nwd h GLU 84 Ca 0.01 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1nwd h GLU 84 Cb 0.04 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nwd h GLU 84 CO 0.00 0.32 -0.07 0.82 -1.00 0.00 0.00 179.01 179.08 1nwd h ILE 85 N 0.12 0.80 -0.81 3.13 1.08 -1.69 -2.99 117.51 117.16 1nwd h ILE 85 Ca 0.06 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.69 1nwd h ILE 85 Cb 0.16 0.80 -0.06 0.00 -3.07 0.00 0.00 36.82 34.66 1nwd h ILE 85 CO -0.01 0.00 0.54 -0.09 -0.69 0.00 0.00 178.15 177.90 1nwd h ARG 86 N -0.11 0.43 0.12 2.37 2.43 -1.09 0.18 114.38 118.71 1nwd h ARG 86 Ca 0.04 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1nwd h ARG 86 Cb 0.17 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1nwd h ARG 86 CO -0.10 0.28 -0.06 1.49 -1.51 0.00 0.00 179.97 180.07 1nwd h GLU 87 N 0.44 -0.15 -0.17 0.20 4.81 -0.87 -1.32 114.58 117.51 1nwd h GLU 87 Ca 0.40 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1nwd h GLU 87 Cb 0.92 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1nwd h GLU 87 CO -0.14 0.07 0.06 0.00 -0.73 0.00 0.00 179.01 178.27 1nwd h ALA 88 N 0.49 1.78 -0.19 2.92 0.00 -1.20 -3.17 119.26 119.89 1nwd h ALA 88 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1nwd h ALA 88 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1nwd h ALA 88 CO 0.03 0.18 -0.09 0.35 0.00 0.00 0.00 179.25 179.72 1nwd h PHE 89 N 0.24 0.46 -0.65 0.00 3.04 -0.38 -0.91 116.94 118.74 1nwd h PHE 89 Ca 0.06 -0.11 0.14 0.00 3.98 0.00 0.00 57.97 62.04 1nwd h PHE 89 Cb 0.07 -0.11 -0.11 0.00 2.56 0.00 0.00 35.95 38.36 1nwd h PHE 89 CO 0.00 0.69 -0.04 0.00 -2.02 0.00 0.00 178.31 176.94 1nwd h ARG 90 N 0.09 0.08 0.07 1.11 2.47 -1.22 0.15 114.38 117.12 1nwd h ARG 90 Ca 0.04 -0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1nwd h ARG 90 Cb 0.57 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 1nwd h ARG 90 CO 0.03 0.05 -0.03 0.28 0.56 0.00 0.00 179.97 180.86 1nwd h VAL 91 N 0.08 1.20 0.20 2.04 2.07 -1.53 -3.39 116.25 116.92 1nwd h VAL 91 Ca 0.34 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1nwd h VAL 91 Cb 0.55 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1nwd h VAL 91 CO -0.59 0.24 -0.09 -0.26 0.02 0.00 0.00 177.57 176.88 1nwd h PHE 92 N -0.54 -0.25 -3.23 1.57 -1.00 -0.99 -3.41 116.94 109.10 1nwd h PHE 92 Ca -0.01 -0.01 -0.56 0.00 2.81 0.00 0.00 57.97 60.21 1nwd h PHE 92 Cb 0.47 0.08 -0.06 0.00 3.61 0.00 0.00 35.95 40.04 1nwd h PHE 92 CO 0.07 -0.15 1.02 0.34 -1.61 0.00 0.00 178.31 177.98 1nwd s ASP 93 N -3.73 6.38 0.31 2.17 2.15 0.50 -4.59 116.67 119.85 1nwd s ASP 93 Ca -0.04 0.38 -0.00 0.00 0.43 0.00 0.00 52.55 53.32 1nwd s ASP 93 Cb 0.00 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.57 1nwd s ASP 93 CO 0.12 -1.49 1.92 0.11 -0.17 0.00 0.00 175.17 175.66 1nwd h LYS 94 N 10.14 0.87 0.38 4.34 1.79 -1.79 -3.18 116.57 129.13 1nwd h LYS 94 Ca -0.26 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.09 1nwd h LYS 94 Cb 1.08 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1nwd h LYS 94 CO 1.15 0.67 -0.18 -0.44 -1.08 0.00 0.00 179.45 179.57 1nwd h ASP 95 N 0.87 -0.43 -3.53 0.86 3.32 -1.90 -3.49 116.42 112.12 1nwd h ASP 95 Ca 0.22 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1nwd h ASP 95 Cb 0.08 0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1nwd h ASP 95 CO -0.03 -0.30 -0.02 0.61 -1.72 0.00 0.00 179.24 177.78 1nwd n GLY 96 N -1.11 -0.40 0.19 2.75 0.00 -1.20 -5.04 105.19 100.37 1nwd n GLY 96 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.25 0.00 0.00 1.61 6.94 -1.26 -5.02 115.26 116.28 1nwd n ASN 97 Ca -0.00 -1.20 0.00 0.00 -0.02 0.00 0.00 54.58 53.35 1nwd n ASN 97 Cb 0.50 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 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 0.00 2.52 3.48 4.83 0.00 -1.26 -4.98 105.19 109.79 1nwd n GLY 98 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.88 2.99 -0.42 1.61 1.51 -1.25 -2.85 117.35 118.05 1nwd s TYR 99 Ca 0.00 -0.29 -0.20 0.00 -1.01 0.00 0.00 57.07 55.57 1nwd s TYR 99 Cb 0.00 -3.63 0.02 0.00 -0.11 0.00 0.00 41.96 38.24 1nwd s TYR 99 CO 0.00 -1.07 0.58 0.42 -1.11 0.00 0.00 175.55 174.36 1nwd s ILE 100 N 3.00 4.92 0.58 2.71 1.09 -1.01 -4.76 121.20 127.73 1nwd s ILE 100 Ca 0.21 0.06 -0.18 0.00 -1.10 0.00 0.00 60.65 59.63 1nwd s ILE 100 Cb -0.16 -4.13 -0.04 0.00 -1.06 0.00 0.00 42.46 37.07 1nwd s ILE 100 CO 0.15 -0.49 1.15 -0.44 -0.10 0.00 0.00 174.94 175.21 1nwd s SER 101 N 1.91 5.41 0.26 3.58 0.01 -1.26 -1.76 113.70 121.85 1nwd s SER 101 Ca 0.20 2.21 -0.03 0.00 1.31 0.00 0.00 55.95 59.64 1nwd s SER 101 Cb -0.15 -2.58 0.40 0.00 0.21 0.00 0.00 66.02 63.90 1nwd s SER 101 CO 0.17 -1.43 1.88 0.00 0.41 0.00 0.00 173.24 174.26 1nwd h ALA 102 N 0.84 1.38 0.11 1.44 0.00 -1.94 -2.23 119.26 118.87 1nwd h ALA 102 Ca -0.49 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.41 1nwd h ALA 102 Cb 1.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1nwd h ALA 102 CO 0.56 0.43 -0.30 0.00 0.00 0.00 0.00 179.25 179.94 1nwd h ALA 103 N 1.45 -0.51 -0.77 0.00 0.00 -1.97 -2.49 119.26 114.97 1nwd h ALA 103 Ca 0.43 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.39 1nwd h ALA 103 Cb 0.17 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1nwd h ALA 103 CO -0.17 -0.84 0.51 0.93 0.00 0.00 0.00 179.25 179.67 1nwd h GLU 104 N -0.52 0.67 0.15 0.00 5.08 -1.76 0.46 114.58 118.66 1nwd h GLU 104 Ca 0.03 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1nwd h GLU 104 Cb 0.55 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1nwd h GLU 104 CO -0.18 0.44 -0.07 -0.07 -1.00 0.00 0.00 179.01 178.13 1nwd h LEU 105 N 0.69 -0.17 -1.71 1.33 3.38 -1.26 -2.97 115.31 114.61 1nwd h LEU 105 Ca 0.36 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1nwd h LEU 105 Cb 0.47 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1nwd h LEU 105 CO -0.13 0.16 -0.11 0.08 0.09 0.00 0.00 178.44 178.52 1nwd h ARG 106 N -0.51 0.00 0.58 1.13 -0.00 -1.03 -3.08 114.38 111.48 1nwd h ARG 106 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.93 1nwd h ARG 106 Cb 0.40 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.37 1nwd h ARG 106 CO 0.03 0.11 -0.28 0.45 -0.00 0.00 0.00 179.97 180.28 1nwd h HIS 107 N 0.00 -0.73 0.00 4.08 3.86 -0.87 -2.33 115.15 119.17 1nwd h HIS 107 Ca -0.00 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1nwd h HIS 107 Cb 0.45 0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1nwd h HIS 107 CO 0.00 -0.42 -0.18 -0.24 0.86 0.00 0.00 177.93 177.95 1nwd h VAL 108 N -0.88 0.60 0.26 2.45 3.04 -1.49 0.14 116.25 120.37 1nwd h VAL 108 Ca -0.08 -0.83 -0.01 0.00 -1.01 0.00 0.00 66.70 64.77 1nwd h VAL 108 Cb 0.64 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1nwd h VAL 108 CO 0.13 0.18 -0.13 0.24 -1.01 0.00 0.00 177.57 176.98 1nwd h MET 109 N 0.00 -0.34 -0.10 4.17 2.86 -1.55 -3.20 114.93 116.77 1nwd h MET 109 Ca -0.00 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1nwd h MET 109 Cb 0.53 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1nwd h MET 109 CO 0.02 -0.10 -0.10 1.15 1.06 0.00 0.00 176.91 178.94 1nwd h THR 110 N -0.53 1.13 -0.82 2.22 2.02 -0.79 -3.06 112.91 113.08 1nwd h THR 110 Ca -0.04 -0.58 0.10 0.00 0.77 0.00 0.00 66.41 66.66 1nwd h THR 110 Cb 0.39 1.17 -0.08 0.00 -1.74 0.00 0.00 68.15 67.90 1nwd h THR 110 CO 0.06 0.18 0.46 -1.13 0.37 0.00 0.00 175.52 175.46 1nwd h ASN 111 N 0.14 0.64 -0.70 4.18 -1.24 -0.75 -1.18 115.58 116.68 1nwd h ASN 111 Ca 0.03 0.05 0.10 0.00 0.71 0.00 0.00 56.30 57.19 1nwd h ASN 111 Cb 0.27 -0.07 -0.07 0.00 0.73 0.00 0.00 38.32 39.19 1nwd h ASN 111 CO 0.02 0.35 0.33 0.25 -1.29 0.00 0.00 177.43 177.09 1nwd h LEU 112 N 0.75 0.41 0.00 0.34 6.46 -1.59 -3.46 115.31 118.22 1nwd h LEU 112 Ca 0.40 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.23 1nwd h LEU 112 Cb 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1nwd h LEU 112 CO -0.26 0.23 0.00 0.61 -0.62 0.00 0.00 178.44 178.39 1nwd n GLY 113 N -1.30 0.57 2.64 3.75 0.00 -0.45 -5.15 105.19 105.25 1nwd n GLY 113 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1nwd n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nwd s GLU 114 N 0.00 0.10 -0.39 1.61 0.41 -1.23 -5.07 118.70 114.13 1nwd s GLU 114 Ca 0.00 -0.03 -0.25 0.00 -0.41 0.00 0.00 54.97 54.28 1nwd s GLU 114 Cb 0.00 -1.65 0.02 0.00 -1.78 0.00 0.00 34.13 30.71 1nwd s GLU 114 CO 0.00 -0.68 0.87 0.15 -0.49 0.00 0.00 175.26 175.11 1nwd s LYS 115 N 2.18 3.73 0.06 1.61 1.02 -1.26 -3.98 119.74 123.10 1nwd s LYS 115 Ca 0.03 0.37 0.02 0.00 0.02 0.00 0.00 55.97 56.41 1nwd s LYS 115 Cb -0.16 -3.84 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 1nwd s LYS 115 CO -0.11 -0.98 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.76 1nwd s LEU 116 N 3.40 2.34 0.15 3.17 1.02 -1.26 -5.14 118.68 122.35 1nwd s LEU 116 Ca 0.35 -0.70 -0.31 0.00 0.02 0.00 0.00 54.13 53.50 1nwd s LEU 116 Cb -0.12 -0.10 -0.08 0.00 0.02 0.00 0.00 46.19 45.90 1nwd s LEU 116 CO 0.20 -0.30 1.35 -0.89 0.02 0.00 0.00 176.35 176.72 1nwd s THR 117 N -2.15 3.28 -1.99 5.49 2.01 -1.26 -4.93 115.64 116.09 1nwd s THR 117 Ca -0.03 0.97 0.04 0.00 0.31 0.00 0.00 61.69 62.98 1nwd s THR 117 Cb -0.05 -3.62 0.12 0.00 0.01 0.00 0.00 72.50 68.96 1nwd s THR 117 CO -0.02 0.11 1.10 -0.90 -0.69 0.00 0.00 174.62 174.22 1nwd n ASP 118 N 3.38 0.75 -0.25 3.53 5.68 -1.26 -3.81 116.55 124.58 1nwd n ASP 118 Ca 0.09 -2.00 -0.03 0.00 -0.50 0.00 0.00 54.79 52.35 1nwd n ASP 118 Cb 0.43 -0.10 0.14 0.00 -1.14 0.00 0.00 41.12 40.45 1nwd n ASP 118 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1nwd h GLU 119 N 0.81 1.08 -0.50 0.11 4.11 -2.00 -2.66 114.58 115.53 1nwd h GLU 119 Ca 0.00 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1nwd h GLU 119 Cb 0.19 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1nwd h GLU 119 CO 0.00 0.85 0.33 0.93 0.07 0.00 0.00 179.01 181.19 1nwd h GLU 120 N 1.07 0.66 -0.04 1.06 5.08 -1.99 -2.37 114.58 118.05 1nwd h GLU 120 Ca 0.26 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1nwd h GLU 120 Cb 0.14 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1nwd h GLU 120 CO -0.03 0.44 -0.08 0.28 -1.00 0.00 0.00 179.01 178.62 1nwd h VAL 121 N 0.68 0.78 -0.36 3.13 2.07 -1.77 -2.98 116.25 117.79 1nwd h VAL 121 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.77 1nwd h VAL 121 Cb -0.07 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 1nwd h VAL 121 CO -0.04 0.00 0.02 -0.78 0.02 0.00 0.00 177.57 176.79 1nwd h ASP 122 N -0.12 -0.11 0.20 0.57 3.58 -1.34 -2.57 116.42 116.63 1nwd h ASP 122 Ca 0.05 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1nwd h ASP 122 Cb 0.19 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.34 1nwd h ASP 122 CO -0.12 -0.02 -0.39 -0.08 -2.88 0.00 0.00 179.24 175.75 1nwd h GLU 123 N 0.12 -0.61 0.00 0.28 4.81 -1.30 -1.81 114.58 116.07 1nwd h GLU 123 Ca 0.18 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1nwd h GLU 123 Cb 0.24 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1nwd h GLU 123 CO -0.28 -0.41 0.00 0.00 -0.73 0.00 0.00 179.01 177.59 1nwd n MET 124 N -4.69 0.07 0.18 1.92 0.00 -1.14 -0.85 117.12 112.62 1nwd n MET 124 Ca -0.07 0.35 -0.08 0.00 0.00 0.00 0.00 57.70 57.90 1nwd n MET 124 Cb 0.32 -1.65 -0.04 0.00 0.00 0.00 0.00 33.22 31.86 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 -1.16 -3.36 117.51 118.20 1nwd h ILE 125 Ca 0.00 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1nwd h ILE 125 Cb 0.25 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1nwd h ILE 125 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 178.15 178.18 1nwd h ARG 126 N -0.95 0.00 -0.76 2.37 3.08 -0.42 -0.96 114.38 116.75 1nwd h ARG 126 Ca -0.05 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1nwd h ARG 126 Cb 0.40 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 1nwd h ARG 126 CO 0.09 0.00 0.50 0.93 -1.07 0.00 0.00 179.97 180.42 1nwd h GLU 127 N 0.00 0.79 -1.46 0.04 4.39 -1.13 -3.33 114.58 113.88 1nwd h GLU 127 Ca 0.00 -0.05 -0.45 0.00 0.34 0.00 0.00 59.36 59.20 1nwd h GLU 127 Cb 0.07 -0.18 -0.33 0.00 -0.10 0.00 0.00 28.75 28.21 1nwd h GLU 127 CO 0.00 0.52 -0.96 0.00 -1.16 0.00 0.00 179.01 177.41 1nwd n ALA 128 N -2.44 1.35 -3.92 3.43 0.00 -0.44 -5.06 120.51 113.44 1nwd n ALA 128 Ca 0.11 -2.87 -0.33 0.00 0.00 0.00 0.00 53.44 50.35 1nwd n ALA 128 Cb 0.22 -0.97 -0.14 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.59 4.89 -0.02 0.00 -1.08 -0.77 -4.49 116.67 113.62 1nwd s ASP 129 Ca 0.35 -1.97 -0.23 0.00 -0.52 0.00 0.00 52.55 50.18 1nwd s ASP 129 Cb 0.24 -1.69 -0.15 0.00 -1.46 0.00 0.00 42.92 39.86 1nwd s ASP 129 CO -0.12 -0.40 1.02 0.40 0.52 0.00 0.00 175.17 176.59 1nwd h ILE 130 N 6.54 0.63 0.61 4.11 2.04 -1.94 -3.39 117.51 126.11 1nwd h ILE 130 Ca -0.10 -0.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 1nwd h ILE 130 Cb 1.03 0.98 0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1nwd h ILE 130 CO 0.57 0.13 -0.29 -0.78 0.00 0.00 0.00 178.15 177.78 1nwd h ASP 131 N -0.87 -0.70 -1.81 1.72 3.58 -1.96 -3.50 116.42 112.89 1nwd h ASP 131 Ca -0.04 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1nwd h ASP 131 Cb 0.52 0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.75 1nwd h ASP 131 CO 0.07 -0.41 0.00 0.61 -2.88 0.00 0.00 179.24 176.63 1nwd n GLY 132 N -0.74 -1.79 0.00 -0.78 0.00 -1.26 -5.08 105.19 95.54 1nwd n GLY 132 Ca -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 0.00 0.00 1.61 5.68 -1.26 -5.06 116.55 117.52 1nwd n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1nwd n ASP 133 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 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 0.00 2.09 3.32 6.12 0.00 -1.26 -5.07 105.19 110.39 1nwd n GLY 134 Ca 0.00 -0.73 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.56 -0.31 1.61 1.11 -1.26 -4.50 119.66 113.74 1nwd s GLN 135 Ca 0.00 0.39 0.02 0.00 0.01 0.00 0.00 55.36 55.78 1nwd s GLN 135 Cb 0.00 -1.40 0.09 0.00 -1.01 0.00 0.00 33.01 30.69 1nwd s GLN 135 CO 0.00 -4.70 0.03 0.08 0.01 0.00 0.00 175.29 170.71 1nwd s VAL 136 N -2.24 1.87 1.16 1.09 1.01 -0.72 -4.89 120.40 117.69 1nwd s VAL 136 Ca 0.68 -1.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.61 1nwd s VAL 136 Cb -0.18 -2.31 0.27 0.00 0.00 0.00 0.00 36.38 34.16 1nwd s VAL 136 CO 0.61 -0.49 0.95 0.59 0.00 0.00 0.00 175.10 176.76 1nwd n ASN 137 N 4.45 -1.67 -0.20 3.32 4.13 -1.26 -2.40 115.26 121.63 1nwd n ASN 137 Ca -0.01 -0.13 -0.02 0.00 1.68 0.00 0.00 54.58 56.10 1nwd n ASN 137 Cb 0.42 -1.25 0.08 0.00 -1.54 0.00 0.00 39.78 37.49 1nwd n ASN 137 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1nwd h TYR 138 N -2.61 0.52 -0.17 3.10 3.20 -1.91 -0.76 116.97 118.34 1nwd h TYR 138 Ca -0.60 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.24 1nwd h TYR 138 Cb 1.33 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 1nwd h TYR 138 CO 0.27 0.22 -0.10 0.93 -1.64 0.00 0.00 178.16 177.84 1nwd h GLU 139 N 0.53 0.37 -0.70 1.82 5.08 -1.92 -3.22 114.58 116.55 1nwd h GLU 139 Ca 0.27 -0.17 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1nwd h GLU 139 Cb 0.22 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1nwd h GLU 139 CO -0.21 0.70 0.46 0.93 -1.00 0.00 0.00 179.01 179.89 1nwd h GLU 140 N 0.05 0.73 -0.41 2.33 5.08 -1.83 -1.84 114.58 118.68 1nwd h GLU 140 Ca 0.04 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1nwd h GLU 140 Cb 0.60 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1nwd h GLU 140 CO 0.03 0.48 0.13 0.35 -1.00 0.00 0.00 179.01 179.00 1nwd h PHE 141 N 0.75 0.65 0.40 4.33 3.57 -1.17 -1.16 116.94 124.31 1nwd h PHE 141 Ca 0.30 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1nwd h PHE 141 Cb 0.22 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1nwd h PHE 141 CO -0.00 0.60 -0.19 0.28 -2.23 0.00 0.00 178.31 176.77 1nwd h VAL 142 N 0.51 0.55 -0.67 1.41 2.07 -1.50 -3.23 116.25 115.39 1nwd h VAL 142 Ca 0.13 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1nwd h VAL 142 Cb 0.25 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1nwd h VAL 142 CO -0.00 0.08 0.40 -0.61 0.02 0.00 0.00 177.57 177.46 1nwd h GLN 143 N -0.84 0.90 -0.56 1.57 5.75 -1.36 -1.41 115.11 119.16 1nwd h GLN 143 Ca -0.05 -0.07 0.11 0.00 -0.15 0.00 0.00 58.65 58.48 1nwd h GLN 143 Cb 0.54 -0.19 -0.11 0.00 1.07 0.00 0.00 27.48 28.79 1nwd h GLN 143 CO 0.09 0.63 -0.14 1.98 -2.65 0.00 0.00 178.83 178.73 1nwd h MET 144 N 0.91 -0.00 0.35 1.69 4.05 -1.31 -1.08 114.93 119.55 1nwd h MET 144 Ca 0.24 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 1nwd h MET 144 Cb -0.04 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 1nwd h MET 144 CO -0.05 -0.00 -0.34 1.98 0.23 0.00 0.00 176.91 178.73 1nwd h MET 145 N -0.00 -0.66 -2.24 0.39 -1.53 -1.28 -3.22 114.93 106.38 1nwd h MET 145 Ca 0.27 0.05 -0.68 0.00 -3.44 0.00 0.00 59.70 55.89 1nwd h MET 145 Cb 0.42 0.15 -0.19 0.00 -0.55 0.00 0.00 31.60 31.42 1nwd h MET 145 CO -0.58 -0.44 1.27 -2.37 0.14 0.00 0.00 176.91 174.93 1nwd n THR 146 N -4.43 4.52 -2.12 -0.77 5.66 -1.02 -4.95 114.28 111.17 1nwd n THR 146 Ca -0.08 -4.23 -0.29 0.00 -3.05 0.00 0.00 64.05 56.40 1nwd n THR 146 Cb 0.31 -1.67 -0.05 0.00 -1.55 0.00 0.00 70.33 67.37 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nwd s ALA 147 N -2.47 1.81 0.00 1.79 0.00 -0.43 -4.87 121.76 117.60 1nwd s ALA 147 Ca 0.52 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1nwd s ALA 147 Cb 0.29 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1nwd s ALA 147 CO -0.20 -4.69 0.04 1.63 0.00 0.00 0.00 175.76 172.54