#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 -0.48 -0.69 0.00 1.47 -1.26 -5.02 116.67 110.69 1nwd s ASP 2 Ca 0.00 -0.16 -0.02 0.00 1.18 0.00 0.00 52.55 53.55 1nwd s ASP 2 Cb 0.00 0.62 0.00 0.00 -0.34 0.00 0.00 42.92 43.21 1nwd s ASP 2 CO 0.00 -1.06 0.68 0.00 0.68 0.00 0.00 175.17 175.47 1nwd n GLN 3 N -0.40 -1.41 -3.20 2.11 3.00 -1.26 -4.98 117.38 111.24 1nwd n GLN 3 Ca -0.13 1.55 -0.45 0.00 -0.01 0.00 0.00 57.00 57.96 1nwd n GLN 3 Cb 0.63 -5.68 -0.01 0.00 0.00 0.00 0.00 30.24 25.18 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 -3.81 5.98 -0.04 1.08 2.34 -1.26 -4.99 118.68 117.98 1nwd s LEU 4 Ca 0.03 -3.14 -0.02 0.00 0.06 0.00 0.00 54.13 51.06 1nwd s LEU 4 Cb -0.01 -2.27 0.03 0.00 -0.56 0.00 0.00 46.19 43.37 1nwd s LEU 4 CO 0.74 -0.52 0.09 -0.89 -1.06 0.00 0.00 176.35 174.70 1nwd s THR 5 N 0.07 -0.04 -0.72 5.48 2.01 -1.26 -5.06 115.64 116.12 1nwd s THR 5 Ca 0.32 0.13 0.20 0.00 0.31 0.00 0.00 61.69 62.65 1nwd s THR 5 Cb -0.08 -0.15 0.20 0.00 0.01 0.00 0.00 72.50 72.48 1nwd s THR 5 CO -0.06 0.05 1.62 -0.62 -0.69 0.00 0.00 174.62 174.92 1nwd n GLU 6 N 3.81 0.11 -0.27 4.92 1.02 -1.26 -3.47 120.64 125.51 1nwd n GLU 6 Ca -0.22 0.34 0.07 0.00 -0.02 0.00 0.00 57.16 57.32 1nwd n GLU 6 Cb 0.54 -1.71 0.21 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.00 0.43 -0.13 3.49 4.39 -2.00 -2.64 114.58 118.12 1nwd h GLU 7 Ca 0.00 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1nwd h GLU 7 Cb 0.33 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 1nwd h GLU 7 CO 0.00 0.28 -0.08 1.96 -1.16 0.00 0.00 179.01 180.01 1nwd h GLN 8 N 0.44 -0.08 -0.04 2.33 4.20 -1.99 -0.95 115.11 119.02 1nwd h GLN 8 Ca 0.44 0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.19 1nwd h GLN 8 Cb 0.70 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.45 1nwd h GLN 8 CO -0.43 -0.06 -0.33 0.82 -0.67 0.00 0.00 178.83 178.16 1nwd h ILE 9 N -0.09 0.28 -0.33 2.54 2.04 -1.71 -1.87 117.51 118.37 1nwd h ILE 9 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1nwd h ILE 9 Cb 0.20 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1nwd h ILE 9 CO -0.18 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.13 1nwd h ALA 10 N 0.27 0.40 0.20 1.87 0.00 -1.43 -2.20 119.26 118.37 1nwd h ALA 10 Ca 0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nwd h ALA 10 Cb 0.57 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1nwd h ALA 10 CO -0.30 -0.21 -0.20 1.49 0.00 0.00 0.00 179.25 180.03 1nwd h GLU 11 N 0.34 -0.42 -0.62 0.00 4.81 -0.76 -0.47 114.58 117.45 1nwd h GLU 11 Ca 0.14 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.32 1nwd h GLU 11 Cb 0.05 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1nwd h GLU 11 CO -0.10 -0.28 0.08 0.74 -0.73 0.00 0.00 179.01 178.73 1nwd h PHE 12 N -0.43 1.11 -0.32 0.92 0.04 -1.39 -2.01 116.94 114.86 1nwd h PHE 12 Ca 0.00 -0.16 0.04 0.00 2.80 0.00 0.00 57.97 60.65 1nwd h PHE 12 Cb 0.41 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.22 1nwd h PHE 12 CO -0.15 0.95 0.08 -0.22 -0.60 0.00 0.00 178.31 178.37 1nwd h LYS 13 N 0.95 0.19 -0.11 1.51 3.64 -1.19 -1.52 116.57 120.05 1nwd h LYS 13 Ca 0.19 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1nwd h LYS 13 Cb 0.45 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1nwd h LYS 13 CO 0.02 0.13 0.04 0.93 -2.27 0.00 0.00 179.45 178.29 1nwd h GLU 14 N 0.20 0.16 -0.49 1.90 5.08 -0.99 -0.65 114.58 119.79 1nwd h GLU 14 Ca 0.15 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1nwd h GLU 14 Cb 0.15 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1nwd h GLU 14 CO -0.18 0.30 0.14 0.00 -1.00 0.00 0.00 179.01 178.27 1nwd h ALA 15 N 0.86 0.58 0.02 3.43 0.00 -1.27 -2.03 119.26 120.85 1nwd h ALA 15 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nwd h ALA 15 Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1nwd h ALA 15 CO -0.00 -0.26 -0.01 0.35 0.00 0.00 0.00 179.25 179.33 1nwd h PHE 16 N 0.30 -0.03 -0.78 0.00 3.57 -1.23 -3.27 116.94 115.51 1nwd h PHE 16 Ca 0.24 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.86 1nwd h PHE 16 Cb 0.29 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1nwd h PHE 16 CO -0.19 0.26 0.51 1.03 -2.23 0.00 0.00 178.31 177.69 1nwd h SER 17 N -0.32 0.56 -0.14 0.41 0.87 -0.90 0.22 113.55 114.25 1nwd h SER 17 Ca -0.00 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1nwd h SER 17 Cb 0.30 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 1nwd h SER 17 CO 0.01 0.31 -0.21 0.25 -0.53 0.00 0.00 176.83 176.66 1nwd h LEU 18 N 0.61 -0.65 -0.45 2.23 6.46 -1.42 -2.66 115.31 119.43 1nwd h LEU 18 Ca 0.37 0.11 -0.11 0.00 -0.12 0.00 0.00 57.88 58.13 1nwd h LEU 18 Cb 0.60 0.30 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1nwd h LEU 18 CO -0.14 -0.26 -0.16 -0.26 -0.62 0.00 0.00 178.44 177.00 1nwd h PHE 19 N -0.26 1.03 -1.16 1.25 -1.00 -1.47 -3.36 116.94 111.98 1nwd h PHE 19 Ca 0.10 -0.24 -0.75 0.00 2.81 0.00 0.00 57.97 59.89 1nwd h PHE 19 Cb 0.41 -0.24 -0.13 0.00 3.61 0.00 0.00 35.95 39.59 1nwd h PHE 19 CO -0.32 1.02 2.23 -3.47 -1.61 0.00 0.00 178.31 176.17 1nwd n ASP 20 N -4.21 5.16 -0.10 2.17 2.03 -0.01 -4.81 116.55 116.78 1nwd n ASP 20 Ca -0.00 -3.07 -0.08 0.00 0.52 0.00 0.00 54.79 52.15 1nwd n ASP 20 Cb 0.42 -1.50 -0.00 0.00 -0.72 0.00 0.00 41.12 39.32 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 5.69 0.41 -0.93 -0.67 1.79 -1.72 -3.13 116.57 118.00 1nwd h LYS 21 Ca 0.44 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.91 1nwd h LYS 21 Cb 0.60 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 31.11 1nwd h LYS 21 CO 1.66 0.27 0.61 -0.44 -1.08 0.00 0.00 179.45 180.47 1nwd h ASP 22 N 0.42 1.05 0.00 0.86 3.32 -1.91 -3.47 116.42 116.70 1nwd h ASP 22 Ca 0.13 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1nwd h ASP 22 Cb -0.01 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.28 1nwd h ASP 22 CO -0.06 0.75 0.00 0.61 -1.72 0.00 0.00 179.24 178.83 1nwd n GLY 23 N -1.36 1.51 0.18 2.75 0.00 -1.19 -5.01 105.19 102.08 1nwd n GLY 23 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 1nwd n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1nwd h ASP 24 N 0.00 -0.42 0.00 1.61 3.04 -1.91 -3.47 116.42 115.26 1nwd h ASP 24 Ca 0.00 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.89 1nwd h ASP 24 Cb 0.00 0.23 0.00 0.00 -1.04 0.00 0.00 39.33 38.52 1nwd h ASP 24 CO 0.00 -0.16 0.00 0.61 -2.04 0.00 0.00 179.24 177.65 1nwd n GLY 25 N -1.29 1.48 3.02 7.15 0.00 -1.26 -5.11 105.19 109.19 1nwd n GLY 25 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.68 0.22 -0.32 2.61 -4.23 -1.26 -2.94 115.64 108.03 1nwd s THR 26 Ca 0.00 -1.17 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 1nwd s THR 26 Cb 0.00 -0.63 0.10 0.00 1.34 0.00 0.00 72.50 73.31 1nwd s THR 26 CO 0.00 -0.61 0.07 -0.63 -0.54 0.00 0.00 174.62 172.91 1nwd s ILE 27 N -2.06 1.66 0.83 2.99 1.09 -1.17 -4.88 121.20 119.66 1nwd s ILE 27 Ca -0.09 -1.91 -0.11 0.00 -1.10 0.00 0.00 60.65 57.44 1nwd s ILE 27 Cb -0.06 -2.23 0.18 0.00 -1.06 0.00 0.00 42.46 39.30 1nwd s ILE 27 CO -0.03 -0.61 1.12 1.07 -0.10 0.00 0.00 174.94 176.39 1nwd n THR 28 N 4.52 0.00 -0.12 2.92 5.66 -1.26 -3.28 114.28 122.72 1nwd n THR 28 Ca 0.01 -1.03 -0.05 0.00 -3.05 0.00 0.00 64.05 59.93 1nwd n THR 28 Cb 0.42 -1.39 0.03 0.00 -1.55 0.00 0.00 70.33 67.84 1nwd n THR 28 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1nwd h THR 29 N -1.40 0.84 0.06 1.09 1.35 -1.89 -2.51 112.91 110.44 1nwd h THR 29 Ca -0.37 -0.09 0.02 0.00 -0.55 0.00 0.00 66.41 65.43 1nwd h THR 29 Cb 1.08 0.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.04 1nwd h THR 29 CO 0.29 0.05 -0.17 0.50 -0.25 0.00 0.00 175.52 175.93 1nwd h LYS 30 N 0.25 -0.30 -0.42 4.72 3.64 -1.95 -1.47 116.57 121.04 1nwd h LYS 30 Ca 0.19 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1nwd h LYS 30 Cb 0.20 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1nwd h LYS 30 CO -0.22 -0.20 0.20 1.49 -2.27 0.00 0.00 179.45 178.45 1nwd h GLU 31 N -0.31 0.61 -0.40 1.90 4.81 -1.93 -1.95 114.58 117.31 1nwd h GLU 31 Ca 0.03 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1nwd h GLU 31 Cb 0.34 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1nwd h GLU 31 CO -0.12 0.53 0.10 1.25 -0.73 0.00 0.00 179.01 180.04 1nwd h LEU 32 N 0.53 0.05 -0.52 1.64 7.12 -1.27 -2.12 115.31 120.74 1nwd h LEU 32 Ca 0.14 0.06 0.09 0.00 0.13 0.00 0.00 57.88 58.30 1nwd h LEU 32 Cb 0.13 0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 40.26 1nwd h LEU 32 CO -0.02 0.06 0.12 1.23 -0.13 0.00 0.00 178.44 179.70 1nwd h GLY 33 N 0.23 0.65 0.62 3.75 0.00 -1.09 -2.89 103.07 104.34 1nwd h GLY 33 Ca 0.19 -0.04 0.07 0.00 0.00 0.00 0.00 47.33 47.56 1nwd h GLY 33 CO -0.24 -0.07 0.41 -0.84 0.00 0.00 0.00 176.54 175.81 1nwd h THR 34 N 0.26 0.95 -0.19 4.70 2.02 -0.69 -0.72 112.91 119.23 1nwd h THR 34 Ca 0.26 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1nwd h THR 34 Cb 0.35 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1nwd h THR 34 CO -0.33 0.13 0.04 0.58 0.37 0.00 0.00 175.52 176.31 1nwd h VAL 35 N 0.73 0.92 -0.43 3.16 2.07 -1.26 -0.89 116.25 120.54 1nwd h VAL 35 Ca 0.34 -0.04 -0.12 0.00 0.82 0.00 0.00 66.70 67.69 1nwd h VAL 35 Cb 0.25 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1nwd h VAL 35 CO -0.21 0.02 -0.22 0.24 0.02 0.00 0.00 177.57 177.42 1nwd h MET 36 N 0.12 0.88 -0.32 1.57 2.86 -1.47 -2.92 114.93 115.64 1nwd h MET 36 Ca 0.09 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1nwd h MET 36 Cb 0.08 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1nwd h MET 36 CO -0.11 1.01 0.17 -0.09 1.06 0.00 0.00 176.91 178.95 1nwd h ARG 37 N 0.76 0.45 -0.85 1.72 1.12 -0.21 0.25 114.38 117.63 1nwd h ARG 37 Ca 0.10 -0.06 0.10 0.00 -1.11 0.00 0.00 59.98 59.02 1nwd h ARG 37 Cb 0.76 -0.09 -0.08 0.00 -0.01 0.00 0.00 29.97 30.56 1nwd h ARG 37 CO 0.06 0.39 0.49 1.03 -3.11 0.00 0.00 179.97 178.83 1nwd h SER 38 N 0.40 0.69 0.29 -3.80 0.87 -1.20 -3.16 113.55 107.64 1nwd h SER 38 Ca 0.11 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1nwd h SER 38 Cb 0.07 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1nwd h SER 38 CO -0.02 0.38 -0.14 0.25 -0.53 0.00 0.00 176.83 176.77 1nwd h LEU 39 N 0.80 -0.33 0.00 2.23 5.85 -1.26 -3.48 115.31 119.11 1nwd h LEU 39 Ca 0.42 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1nwd h LEU 39 Cb 0.41 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1nwd h LEU 39 CO -0.26 -0.16 0.00 0.61 -0.34 0.00 0.00 178.44 178.29 1nwd n GLY 40 N -0.20 0.00 3.08 3.75 0.00 -0.07 -5.11 105.19 106.64 1nwd n GLY 40 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 1nwd n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 41 N 0.00 0.29 -0.68 1.61 -0.21 -0.36 -4.99 119.66 115.32 1nwd s GLN 41 Ca 0.00 0.11 0.03 0.00 0.02 0.00 0.00 55.36 55.53 1nwd s GLN 41 Cb 0.00 0.13 0.17 0.00 1.00 0.00 0.00 33.01 34.31 1nwd s GLN 41 CO 0.00 -0.05 0.47 1.21 -2.12 0.00 0.00 175.29 174.80 1nwd s ASN 42 N -0.25 4.87 0.69 5.90 3.84 -1.26 -1.68 114.94 127.06 1nwd s ASN 42 Ca -0.03 -3.57 -0.14 0.00 0.21 0.00 0.00 52.86 49.33 1nwd s ASN 42 Cb -0.03 -1.69 0.02 0.00 -0.55 0.00 0.00 41.25 39.00 1nwd s ASN 42 CO 0.01 -0.15 1.10 -2.16 -2.79 0.00 0.00 177.10 173.11 1nwd s PRO 43 N -1.07 2.63 0.03 0.43 0.04 -1.26 -5.00 135.00 130.80 1nwd s PRO 43 Ca 0.23 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.28 1nwd s PRO 43 Cb -0.11 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1nwd s PRO 43 CO -0.11 -1.37 1.08 0.99 0.04 0.00 0.00 177.00 177.63 1nwd s THR 44 N -2.53 4.48 0.34 1.26 2.01 -1.26 -4.97 115.64 114.97 1nwd s THR 44 Ca 0.65 1.79 0.03 0.00 0.31 0.00 0.00 61.69 64.47 1nwd s THR 44 Cb -0.19 -4.14 0.28 0.00 0.01 0.00 0.00 72.50 68.46 1nwd s THR 44 CO 0.46 0.14 1.95 1.05 -0.69 0.00 0.00 174.62 177.53 1nwd h GLU 45 N 6.77 0.85 -0.26 4.92 -0.00 -1.96 -1.96 114.58 122.94 1nwd h GLU 45 Ca -0.41 -0.05 0.02 0.00 -0.00 0.00 0.00 59.36 58.91 1nwd h GLU 45 Cb 1.22 -0.19 -0.02 0.00 -0.00 0.00 0.00 28.75 29.75 1nwd h GLU 45 CO 0.78 0.56 0.13 0.00 -0.00 0.00 0.00 179.01 180.47 1nwd h ALA 46 N 1.57 0.32 0.01 1.06 0.00 -2.01 -3.03 119.26 117.18 1nwd h ALA 46 Ca 0.33 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1nwd h ALA 46 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1nwd h ALA 46 CO -0.11 -0.27 -0.00 0.93 0.00 0.00 0.00 179.25 179.80 1nwd h GLU 47 N 0.27 -0.01 -1.14 0.00 5.08 -1.84 -3.17 114.58 113.77 1nwd h GLU 47 Ca 0.11 0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.81 1nwd h GLU 47 Cb 0.04 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.17 1nwd h GLU 47 CO -0.08 0.19 0.71 -0.07 -1.00 0.00 0.00 179.01 178.76 1nwd h LEU 48 N -0.21 0.39 0.57 1.33 3.38 -1.29 -0.71 115.31 118.77 1nwd h LEU 48 Ca -0.00 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1nwd h LEU 48 Cb 0.20 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.05 1nwd h LEU 48 CO 0.00 -0.07 -0.27 -0.61 0.09 0.00 0.00 178.44 177.58 1nwd h GLN 49 N 0.26 -0.73 -0.02 1.13 4.15 -1.51 -3.27 115.11 115.12 1nwd h GLN 49 Ca 0.72 0.05 0.01 0.00 0.77 0.00 0.00 58.65 60.19 1nwd h GLN 49 Cb 1.95 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.80 1nwd h GLN 49 CO -0.42 -0.49 -0.02 0.22 -1.93 0.00 0.00 178.83 176.19 1nwd h ASP 50 N -1.05 -0.07 -0.66 -0.69 3.58 -1.32 -0.48 116.42 115.73 1nwd h ASP 50 Ca -0.08 0.01 0.11 0.00 0.42 0.00 0.00 57.03 57.50 1nwd h ASP 50 Cb 0.58 0.03 -0.11 0.00 1.72 0.00 0.00 39.33 41.55 1nwd h ASP 50 CO 0.13 -0.03 -0.23 0.23 -2.88 0.00 0.00 179.24 176.46 1nwd n MET 51 N -5.13 -0.12 -0.03 0.28 2.81 -0.37 -0.65 117.12 113.91 1nwd n MET 51 Ca -0.06 1.03 -0.13 0.00 -1.81 0.00 0.00 57.70 56.73 1nwd n MET 51 Cb 0.06 -1.53 -0.11 0.00 -0.71 0.00 0.00 33.22 30.93 1nwd n MET 51 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1nwd h ILE 52 N 0.00 1.46 0.00 2.02 1.08 -1.48 -3.35 117.51 117.24 1nwd h ILE 52 Ca 0.26 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.13 1nwd h ILE 52 Cb 0.43 2.52 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 1nwd h ILE 52 CO -0.67 0.40 0.00 0.59 -0.69 0.00 0.00 178.15 177.78 1nwd n ASN 53 N -4.77 0.00 -0.22 1.72 3.02 -0.23 -1.43 115.26 113.35 1nwd n ASN 53 Ca -0.09 0.44 0.01 0.00 -0.03 0.00 0.00 54.58 54.91 1nwd n ASN 53 Cb 0.34 -0.46 0.08 0.00 -0.61 0.00 0.00 39.78 39.13 1nwd n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1nwd h GLU 54 N 0.00 0.03 -2.37 3.52 3.07 -1.02 -3.24 114.58 114.56 1nwd h GLU 54 Ca 0.00 -0.00 -0.67 0.00 -0.50 0.00 0.00 59.36 58.19 1nwd h GLU 54 Cb 0.17 -0.01 -0.37 0.00 -0.84 0.00 0.00 28.75 27.70 1nwd h GLU 54 CO 0.00 0.02 -0.13 0.28 -1.40 0.00 0.00 179.01 177.78 1nwd n VAL 55 N -5.40 3.60 -3.15 3.13 0.31 -0.51 -4.91 118.33 111.40 1nwd n VAL 55 Ca 0.09 -5.55 0.04 0.00 -0.01 0.00 0.00 64.34 58.91 1nwd n VAL 55 Cb 0.36 -1.87 -0.01 0.00 -0.91 0.00 0.00 33.84 31.41 1nwd n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nwd s ASP 56 N -2.45 -1.35 0.11 4.52 -1.08 -1.23 -4.72 116.67 110.46 1nwd s ASP 56 Ca 0.40 0.58 -0.24 0.00 -0.52 0.00 0.00 52.55 52.77 1nwd s ASP 56 Cb 0.16 2.03 -0.09 0.00 -1.46 0.00 0.00 42.92 43.56 1nwd s ASP 56 CO -0.03 -0.25 1.69 0.00 0.52 0.00 0.00 175.17 177.10 1nwd h ALA 57 N 7.97 -0.14 -0.04 3.66 0.00 -1.88 -3.07 119.26 125.77 1nwd h ALA 57 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1nwd h ALA 57 Cb 1.17 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1nwd h ALA 57 CO 0.18 -0.61 -0.05 0.38 0.00 0.00 0.00 179.25 179.15 1nwd h ASP 58 N -0.20 0.11 -5.11 0.00 3.04 -1.97 -3.49 116.42 108.80 1nwd h ASP 58 Ca 0.03 -0.53 -0.23 0.00 -3.24 0.00 0.00 57.03 53.07 1nwd h ASP 58 Cb 0.23 -0.03 0.17 0.00 -1.04 0.00 0.00 39.33 38.66 1nwd h ASP 58 CO -0.09 0.62 -0.73 0.61 -2.04 0.00 0.00 179.24 177.60 1nwd n GLY 59 N 0.34 -0.78 0.12 7.15 0.00 -1.16 -4.98 105.19 105.87 1nwd n GLY 59 Ca -0.08 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.04 0.31 0.00 1.61 -0.26 -1.95 -3.48 115.58 110.78 1nwd h ASN 60 Ca -0.52 -0.51 0.00 0.00 -0.56 0.00 0.00 56.30 54.71 1nwd h ASN 60 Cb 1.27 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 1nwd h ASN 60 CO 0.39 0.76 0.00 0.61 -1.06 0.00 0.00 177.43 178.13 1nwd n GLY 61 N 0.29 1.02 3.41 2.83 0.00 -1.26 -5.16 105.19 106.32 1nwd n GLY 61 Ca -0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 1nwd n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nwd s THR 62 N -1.02 0.00 -0.30 2.61 -4.23 -1.26 -4.30 115.64 107.14 1nwd s THR 62 Ca 0.00 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1nwd s THR 62 Cb 0.00 -2.60 0.14 0.00 1.34 0.00 0.00 72.50 71.38 1nwd s THR 62 CO 0.00 0.00 0.32 -0.51 -0.54 0.00 0.00 174.62 173.89 1nwd s ILE 63 N -3.18 -0.41 1.05 2.99 1.10 -1.20 -4.95 121.20 116.59 1nwd s ILE 63 Ca 0.35 -0.54 -0.14 0.00 -0.51 0.00 0.00 60.65 59.80 1nwd s ILE 63 Cb 0.01 -0.95 0.21 0.00 0.15 0.00 0.00 42.46 41.88 1nwd s ILE 63 CO 0.23 -0.47 1.11 -0.62 -2.11 0.00 0.00 174.94 173.08 1nwd s ASP 64 N 2.25 2.23 0.15 4.50 2.15 -1.26 -3.06 116.67 123.63 1nwd s ASP 64 Ca 0.10 1.00 -0.18 0.00 0.43 0.00 0.00 52.55 53.90 1nwd s ASP 64 Cb -0.14 -1.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.99 1nwd s ASP 64 CO -0.29 -3.35 1.67 0.15 -0.17 0.00 0.00 175.17 173.18 1nwd h PHE 65 N -2.05 -0.24 -0.47 -5.34 3.04 -1.97 -1.18 116.94 108.74 1nwd h PHE 65 Ca -0.52 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.47 1nwd h PHE 65 Cb 1.32 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.97 1nwd h PHE 65 CO -0.31 -0.17 0.30 -1.35 -2.02 0.00 0.00 178.31 174.76 1nwd h PRO 66 N -0.04 0.60 -0.57 6.41 0.11 -1.93 -2.61 132.00 133.96 1nwd h PRO 66 Ca 0.16 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1nwd h PRO 66 Cb 0.28 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1nwd h PRO 66 CO -0.36 0.40 0.15 0.93 -0.21 0.00 0.00 178.00 178.90 1nwd h GLU 67 N 0.62 0.88 -0.01 1.05 5.08 -1.77 -0.16 114.58 120.27 1nwd h GLU 67 Ca 0.17 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1nwd h GLU 67 Cb -0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1nwd h GLU 67 CO -0.05 0.79 -0.04 0.35 -1.00 0.00 0.00 179.01 179.06 1nwd h PHE 68 N 0.85 0.06 -0.80 4.33 3.57 -1.21 -1.25 116.94 122.49 1nwd h PHE 68 Ca 0.19 -0.02 0.19 0.00 3.53 0.00 0.00 57.97 61.85 1nwd h PHE 68 Cb 0.30 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 38.89 1nwd h PHE 68 CO 0.02 0.70 0.05 -0.07 -2.23 0.00 0.00 178.31 176.78 1nwd h LEU 69 N -0.60 -0.28 0.88 0.59 -0.00 -1.38 -1.24 115.31 113.28 1nwd h LEU 69 Ca -0.00 0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 58.03 1nwd h LEU 69 Cb 0.70 0.34 0.01 0.00 -0.00 0.00 0.00 40.66 41.70 1nwd h LEU 69 CO 0.01 -0.18 -0.42 0.74 -0.00 0.00 0.00 178.44 178.59 1nwd h THR 70 N 0.12 0.00 -0.89 0.22 2.02 -1.03 -2.20 112.91 111.15 1nwd h THR 70 Ca 0.45 -0.13 0.23 0.00 0.77 0.00 0.00 66.41 67.74 1nwd h THR 70 Cb 0.83 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.10 1nwd h THR 70 CO -0.68 0.00 0.33 -0.03 0.37 0.00 0.00 175.52 175.51 1nwd h MET 71 N -1.31 0.29 0.39 6.66 1.85 -0.76 0.13 114.93 122.18 1nwd h MET 71 Ca -0.12 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 58.93 1nwd h MET 71 Cb 0.90 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.87 1nwd h MET 71 CO 0.20 0.19 -0.19 0.52 -0.40 0.00 0.00 176.91 177.23 1nwd h MET 72 N 0.30 -0.51 0.00 0.39 2.07 -1.29 -3.42 114.93 112.47 1nwd h MET 72 Ca 0.57 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 58.23 1nwd h MET 72 Cb 1.13 0.12 0.00 0.00 -1.87 0.00 0.00 31.60 30.98 1nwd h MET 72 CO -0.59 -0.20 0.00 0.00 1.07 0.00 0.00 176.91 177.19 1nwd n ALA 73 N -2.52 0.00 -0.10 6.32 0.00 -0.58 -4.80 120.51 118.83 1nwd n ALA 73 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1nwd n ALA 73 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 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 0.46 -0.33 0.00 -0.00 -1.38 -3.48 114.38 109.65 1nwd h ARG 74 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1nwd h ARG 74 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 29.88 1nwd h ARG 74 CO 0.00 0.41 0.00 1.17 0.00 0.00 0.00 179.97 181.55 1nwd n LYS 75 N -4.78 0.00 -0.50 0.04 3.00 0.33 -3.30 118.16 112.95 1nwd n LYS 75 Ca -0.01 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1nwd n LYS 75 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 35.03 35.05 1nwd n LYS 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1nwd n MET 76 N 2.44 -1.27 -2.36 1.64 1.56 -1.26 -4.65 117.12 113.23 1nwd n MET 76 Ca 0.00 0.96 -0.36 0.00 -0.27 0.00 0.00 57.70 58.03 1nwd n MET 76 Cb 0.00 -1.00 -0.03 0.00 2.15 0.00 0.00 33.22 34.34 1nwd n MET 76 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 1nwd s LYS 77 N -3.41 3.25 0.00 2.12 2.20 -1.26 -4.73 119.74 117.91 1nwd s LYS 77 Ca 0.00 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 54.46 1nwd s LYS 77 Cb 0.00 -5.31 0.00 0.00 -1.51 0.00 0.00 37.83 31.01 1nwd s LYS 77 CO 0.00 -2.82 0.00 -0.25 -0.36 0.00 0.00 175.35 171.92 1nwd n ASP 78 N 10.96 0.00 0.00 1.43 8.00 -1.26 -4.50 116.55 131.17 1nwd n ASP 78 Ca 0.41 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 55.13 1nwd n ASP 78 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1nwd n ASP 78 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nwd n THR 79 N 0.00 0.00 -1.53 -3.53 -2.24 -1.26 -4.38 114.28 101.34 1nwd n THR 79 Ca 0.00 0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.84 1nwd n THR 79 Cb 0.00 -1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 67.16 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 7.57 -0.07 3.42 8.00 -1.26 -4.71 116.55 128.11 1nwd n ASP 80 Ca 0.00 -2.86 -0.12 0.00 0.71 0.00 0.00 54.79 52.52 1nwd n ASP 80 Cb 0.00 -1.41 -0.05 0.00 -0.02 0.00 0.00 41.12 39.64 1nwd n ASP 80 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1nwd h SER 81 N 4.20 0.38 -0.37 -2.24 0.02 -1.85 -3.02 113.55 110.67 1nwd h SER 81 Ca 0.62 -0.34 0.08 0.00 -0.84 0.00 0.00 61.79 61.32 1nwd h SER 81 Cb 0.56 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1nwd h SER 81 CO 1.27 0.63 0.26 1.05 -1.14 0.00 0.00 176.83 178.90 1nwd h GLU 82 N 0.12 0.12 0.00 3.45 4.11 -1.82 -1.51 114.58 119.06 1nwd h GLU 82 Ca 0.06 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.44 1nwd h GLU 82 Cb 0.45 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1nwd h GLU 82 CO 0.02 0.08 -0.18 0.93 0.07 0.00 0.00 179.01 179.92 1nwd h GLU 83 N 0.12 0.00 -0.38 1.06 5.08 -1.81 -2.60 114.58 116.05 1nwd h GLU 83 Ca 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1nwd h GLU 83 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1nwd h GLU 83 CO -0.02 0.18 0.02 0.93 -1.00 0.00 0.00 179.01 179.12 1nwd h GLU 84 N 0.00 0.65 0.56 2.33 5.08 -1.30 -0.87 114.58 121.03 1nwd h GLU 84 Ca -0.00 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1nwd h GLU 84 Cb 0.75 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1nwd h GLU 84 CO 0.02 0.74 -0.40 0.82 -1.00 0.00 0.00 179.01 179.19 1nwd h ILE 85 N 0.48 0.19 -0.81 3.13 1.08 -1.58 -2.55 117.51 117.46 1nwd h ILE 85 Ca 0.11 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.65 1nwd h ILE 85 Cb 0.43 0.19 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 1nwd h ILE 85 CO 0.01 0.00 0.53 -0.09 -0.69 0.00 0.00 178.15 177.91 1nwd h ARG 86 N -0.93 0.84 -0.13 2.37 9.65 -1.37 0.41 114.38 125.22 1nwd h ARG 86 Ca -0.06 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 1nwd h ARG 86 Cb 0.77 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 1nwd h ARG 86 CO 0.03 0.56 0.06 1.49 2.80 0.00 0.00 179.97 184.91 1nwd h GLU 87 N 0.87 0.19 0.00 0.20 4.81 -1.18 -2.94 114.58 116.53 1nwd h GLU 87 Ca 0.35 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1nwd h GLU 87 Cb 0.25 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 1nwd h GLU 87 CO -0.13 0.26 -0.01 0.00 -0.73 0.00 0.00 179.01 178.40 1nwd h ALA 88 N 0.93 1.00 -0.11 2.92 0.00 -0.75 -3.34 119.26 119.91 1nwd h ALA 88 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1nwd h ALA 88 Cb 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1nwd h ALA 88 CO -0.01 0.01 -0.04 0.35 0.00 0.00 0.00 179.25 179.57 1nwd h PHE 89 N 0.00 0.25 0.00 0.00 3.04 -0.07 -3.12 116.94 117.04 1nwd h PHE 89 Ca -0.00 -0.06 -0.07 0.00 3.98 0.00 0.00 57.97 61.83 1nwd h PHE 89 Cb 0.54 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.98 1nwd h PHE 89 CO 0.00 0.54 -0.32 0.07 -2.02 0.00 0.00 178.31 176.58 1nwd h ARG 90 N -0.11 0.00 -0.71 1.11 0.11 -1.67 0.07 114.38 113.18 1nwd h ARG 90 Ca 0.03 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.15 1nwd h ARG 90 Cb 0.47 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.50 1nwd h ARG 90 CO 0.01 0.32 0.43 0.28 0.10 0.00 0.00 179.97 181.11 1nwd h VAL 91 N 0.00 1.05 0.02 0.08 2.07 -1.68 -3.01 116.25 114.77 1nwd h VAL 91 Ca -0.00 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.14 1nwd h VAL 91 Cb 0.61 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1nwd h VAL 91 CO 0.04 0.15 -0.40 -0.26 0.02 0.00 0.00 177.57 177.12 1nwd h PHE 92 N 0.81 0.36 -3.10 1.57 -1.00 -1.51 -3.44 116.94 110.63 1nwd h PHE 92 Ca 0.30 -0.21 -0.76 0.00 2.81 0.00 0.00 57.97 60.11 1nwd h PHE 92 Cb 0.09 -0.03 -0.24 0.00 3.61 0.00 0.00 35.95 39.38 1nwd h PHE 92 CO -0.05 1.06 -0.21 0.34 -1.61 0.00 0.00 178.31 177.83 1nwd s ASP 93 N -6.52 6.19 0.32 2.17 2.15 -0.01 -4.28 116.67 116.68 1nwd s ASP 93 Ca -0.15 -1.74 0.08 0.00 0.43 0.00 0.00 52.55 51.17 1nwd s ASP 93 Cb 0.01 -2.21 0.82 0.00 -0.30 0.00 0.00 42.92 41.24 1nwd s ASP 93 CO 0.77 -0.86 1.77 0.11 -0.17 0.00 0.00 175.17 176.79 1nwd h LYS 94 N 8.89 0.66 0.56 4.34 1.79 -1.85 -1.97 116.57 128.99 1nwd h LYS 94 Ca -0.30 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.10 1nwd h LYS 94 Cb 1.10 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 31.61 1nwd h LYS 94 CO 1.03 0.44 -0.27 -0.44 -1.08 0.00 0.00 179.45 179.13 1nwd h ASP 95 N 0.68 -0.64 -3.57 0.86 3.32 -1.92 -3.50 116.42 111.65 1nwd h ASP 95 Ca 0.59 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.65 1nwd h ASP 95 Cb 1.03 0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.76 1nwd h ASP 95 CO -0.38 -0.28 -0.05 0.61 -1.72 0.00 0.00 179.24 177.42 1nwd n GLY 96 N -0.28 -0.30 1.57 2.75 0.00 -0.74 -5.05 105.19 103.15 1nwd n GLY 96 Ca -0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.36 0.15 0.00 1.61 6.94 -1.26 -5.01 115.26 116.34 1nwd n ASN 97 Ca -0.00 -2.02 0.00 0.00 -0.02 0.00 0.00 54.58 52.53 1nwd n ASN 97 Cb 0.51 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.90 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 0.03 1.41 3.59 4.83 0.00 -1.26 -4.93 105.19 108.85 1nwd n GLY 98 Ca -0.08 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.03 3.20 -0.38 1.61 2.02 -1.26 -3.27 117.35 119.26 1nwd s TYR 99 Ca 0.00 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.03 1nwd s TYR 99 Cb 0.00 -2.95 0.02 0.00 -0.40 0.00 0.00 41.96 38.63 1nwd s TYR 99 CO 0.00 -0.48 0.23 0.42 -1.57 0.00 0.00 175.55 174.15 1nwd s ILE 100 N 2.52 4.84 0.68 2.71 1.09 -1.02 -4.76 121.20 127.25 1nwd s ILE 100 Ca 0.23 -0.70 -0.13 0.00 -1.10 0.00 0.00 60.65 58.94 1nwd s ILE 100 Cb -0.15 -3.66 0.00 0.00 -1.06 0.00 0.00 42.46 37.59 1nwd s ILE 100 CO 0.12 -0.21 1.08 -0.94 -0.10 0.00 0.00 174.94 174.89 1nwd s SER 101 N 1.61 5.23 0.27 3.58 1.04 -1.26 -1.78 113.70 122.39 1nwd s SER 101 Ca 0.03 1.81 -0.00 0.00 0.48 0.00 0.00 55.95 58.27 1nwd s SER 101 Cb -0.19 -2.52 0.53 0.00 0.10 0.00 0.00 66.02 63.94 1nwd s SER 101 CO 0.08 -1.54 1.79 0.00 0.98 0.00 0.00 173.24 174.55 1nwd h ALA 102 N -0.31 1.37 0.43 5.32 0.00 -1.92 -1.35 119.26 122.80 1nwd h ALA 102 Ca -0.45 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1nwd h ALA 102 Cb 1.23 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1nwd h ALA 102 CO 0.55 0.04 -0.23 0.00 0.00 0.00 0.00 179.25 179.61 1nwd h ALA 103 N 1.54 -0.61 -0.65 0.00 0.00 -1.93 -0.82 119.26 116.78 1nwd h ALA 103 Ca 0.47 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1nwd h ALA 103 Cb 0.58 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1nwd h ALA 103 CO -0.31 -0.85 0.39 0.93 0.00 0.00 0.00 179.25 179.41 1nwd h GLU 104 N -0.62 0.73 -0.14 0.00 5.08 -1.78 -0.53 114.58 117.32 1nwd h GLU 104 Ca -0.05 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1nwd h GLU 104 Cb 0.49 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nwd h GLU 104 CO 0.08 0.48 -0.18 1.25 -1.00 0.00 0.00 179.01 179.64 1nwd h LEU 105 N 0.75 0.22 -0.23 1.33 6.46 -1.22 -2.88 115.31 119.74 1nwd h LEU 105 Ca 0.27 -0.05 -0.09 0.00 -0.12 0.00 0.00 57.88 57.89 1nwd h LEU 105 Cb 0.07 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1nwd h LEU 105 CO -0.13 0.42 -0.21 -0.09 -0.62 0.00 0.00 178.44 177.81 1nwd h ARG 106 N 0.21 0.54 0.03 1.25 1.12 -0.38 -3.33 114.38 113.84 1nwd h ARG 106 Ca 0.04 -0.28 0.02 0.00 -1.11 0.00 0.00 59.98 58.65 1nwd h ARG 106 Cb 0.45 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.39 1nwd h ARG 106 CO 0.03 0.87 -0.20 0.45 -3.11 0.00 0.00 179.97 178.01 1nwd h HIS 107 N 0.24 -0.53 -0.81 2.20 3.86 -0.91 -1.53 115.15 117.66 1nwd h HIS 107 Ca 0.04 0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.39 1nwd h HIS 107 Cb 0.76 0.23 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 1nwd h HIS 107 CO 0.08 -0.29 0.53 -0.24 0.86 0.00 0.00 177.93 178.87 1nwd h VAL 108 N -0.34 0.85 -0.04 2.45 3.04 -1.66 -1.30 116.25 119.25 1nwd h VAL 108 Ca 0.05 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.51 1nwd h VAL 108 Cb 0.40 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 29.88 1nwd h VAL 108 CO -0.17 0.11 -0.07 0.24 -1.01 0.00 0.00 177.57 176.67 1nwd h MET 109 N 0.60 0.11 -0.68 4.17 2.86 -1.59 -3.29 114.93 117.12 1nwd h MET 109 Ca 0.40 -0.07 0.16 0.00 -2.06 0.00 0.00 59.70 58.13 1nwd h MET 109 Cb 0.69 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.32 1nwd h MET 109 CO -0.16 0.64 0.47 1.15 1.06 0.00 0.00 176.91 180.08 1nwd h THR 110 N -0.40 0.75 -0.29 2.22 2.02 -0.34 0.37 112.91 117.23 1nwd h THR 110 Ca 0.00 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.14 1nwd h THR 110 Cb 0.64 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1nwd h THR 110 CO 0.02 0.04 0.11 0.78 0.37 0.00 0.00 175.52 176.83 1nwd h ASN 111 N 0.21 0.13 0.02 4.18 4.21 -1.34 -1.66 115.58 121.34 1nwd h ASN 111 Ca 0.33 0.03 -0.00 0.00 1.21 0.00 0.00 56.30 57.87 1nwd h ASN 111 Cb 1.00 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 1nwd h ASN 111 CO -0.06 0.11 -0.01 -0.07 -1.29 0.00 0.00 177.43 176.10 1nwd h LEU 112 N 0.24 -0.03 0.51 1.61 4.07 -1.40 -3.42 115.31 116.89 1nwd h LEU 112 Ca 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 1nwd h LEU 112 Cb 0.09 0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1nwd h LEU 112 CO -0.12 0.26 -0.24 1.23 -1.08 0.00 0.00 178.44 178.49 1nwd h GLY 113 N -0.60 -0.71 -2.26 0.83 0.00 -1.09 -3.51 103.07 95.73 1nwd h GLY 113 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1nwd h GLY 113 CO 0.01 -0.26 -0.07 -2.21 0.00 0.00 0.00 176.54 174.01 1nwd n GLU 114 N -5.23 -0.35 -2.25 4.80 2.13 -0.62 -4.97 120.64 114.14 1nwd n GLU 114 Ca -0.09 0.72 -0.04 0.00 0.66 0.00 0.00 57.16 58.41 1nwd n GLU 114 Cb 0.29 -0.82 0.01 0.00 0.27 0.00 0.00 31.44 31.18 1nwd n GLU 114 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1nwd n LYS 115 N 0.12 -1.40 -4.02 5.31 0.00 -1.26 -5.06 118.16 111.85 1nwd n LYS 115 Ca -0.00 1.45 -0.11 0.00 0.00 0.00 0.00 58.31 59.65 1nwd n LYS 115 Cb 0.00 -3.82 -0.11 0.00 0.00 0.00 0.00 35.03 31.10 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1nwd s LEU 116 N -1.82 2.25 -0.11 3.14 1.02 -1.26 -5.13 118.68 116.76 1nwd s LEU 116 Ca 0.13 -0.52 -0.29 0.00 0.02 0.00 0.00 54.13 53.46 1nwd s LEU 116 Cb -0.04 -0.04 -0.03 0.00 0.02 0.00 0.00 46.19 46.10 1nwd s LEU 116 CO 0.43 -0.24 1.44 0.42 0.02 0.00 0.00 176.35 178.42 1nwd s THR 117 N -1.40 3.96 -1.93 5.49 -4.23 -1.26 -4.92 115.64 111.35 1nwd s THR 117 Ca -0.13 1.16 0.13 0.00 -1.18 0.00 0.00 61.69 61.67 1nwd s THR 117 Cb -0.10 -3.75 0.37 0.00 1.34 0.00 0.00 72.50 70.36 1nwd s THR 117 CO -0.00 -0.10 1.30 -0.90 -0.54 0.00 0.00 174.62 174.37 1nwd n ASP 118 N 6.85 2.30 -0.14 3.99 5.75 -1.26 -4.17 116.55 129.87 1nwd n ASP 118 Ca 0.15 -2.03 -0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1nwd n ASP 118 Cb 0.44 -0.29 0.26 0.00 -1.03 0.00 0.00 41.12 40.49 1nwd n ASP 118 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1nwd h GLU 119 N 2.42 0.83 0.61 0.11 4.11 -2.00 -2.00 114.58 118.66 1nwd h GLU 119 Ca 0.00 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.31 1nwd h GLU 119 Cb 0.60 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1nwd h GLU 119 CO 0.01 0.64 -0.44 0.93 0.07 0.00 0.00 179.01 180.22 1nwd h GLU 120 N 0.83 -0.97 -0.68 1.06 3.07 -2.00 -2.18 114.58 113.71 1nwd h GLU 120 Ca 0.21 0.07 0.14 0.00 -0.50 0.00 0.00 59.36 59.28 1nwd h GLU 120 Cb 0.07 0.22 -0.12 0.00 -0.84 0.00 0.00 28.75 28.08 1nwd h GLU 120 CO -0.03 -0.65 -0.06 0.28 -1.40 0.00 0.00 179.01 177.15 1nwd h VAL 121 N -1.01 0.38 -0.58 3.13 2.07 -1.75 0.63 116.25 119.12 1nwd h VAL 121 Ca -0.07 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1nwd h VAL 121 Cb 0.84 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1nwd h VAL 121 CO 0.03 0.01 0.32 0.44 0.02 0.00 0.00 177.57 178.39 1nwd h ASP 122 N 0.07 0.48 -0.22 0.57 3.32 -1.34 -2.00 116.42 117.30 1nwd h ASP 122 Ca 0.35 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.43 1nwd h ASP 122 Cb 0.58 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1nwd h ASP 122 CO -0.63 0.32 0.13 -0.08 -1.72 0.00 0.00 179.24 177.26 1nwd h GLU 123 N 0.61 0.26 -0.72 3.56 4.81 -0.26 -1.19 114.58 121.65 1nwd h GLU 123 Ca 0.25 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1nwd h GLU 123 Cb 0.13 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1nwd h GLU 123 CO -0.16 0.17 0.44 0.52 -0.73 0.00 0.00 179.01 179.26 1nwd h MET 124 N 0.27 0.96 0.57 1.92 2.86 -0.92 0.04 114.93 120.64 1nwd h MET 124 Ca 0.09 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1nwd h MET 124 Cb -0.00 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.45 1nwd h MET 124 CO -0.04 0.66 -0.31 0.82 1.06 0.00 0.00 176.91 179.10 1nwd h ILE 125 N 0.98 0.36 -0.08 -1.22 2.04 -1.23 -3.20 117.51 115.16 1nwd h ILE 125 Ca 0.26 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.14 1nwd h ILE 125 Cb -0.06 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1nwd h ILE 125 CO -0.05 0.00 0.09 0.03 0.00 0.00 0.00 178.15 178.22 1nwd h ARG 126 N -0.82 0.00 -0.91 2.37 2.47 -0.39 -0.77 114.38 116.32 1nwd h ARG 126 Ca -0.07 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.77 1nwd h ARG 126 Cb 0.65 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.90 1nwd h ARG 126 CO 0.10 0.00 0.59 0.93 0.56 0.00 0.00 179.97 182.14 1nwd h GLU 127 N 0.00 0.81 -1.20 0.04 4.39 -1.01 -3.34 114.58 114.27 1nwd h GLU 127 Ca 0.04 -0.05 -0.40 0.00 0.34 0.00 0.00 59.36 59.29 1nwd h GLU 127 Cb 0.21 -0.18 -0.30 0.00 -0.10 0.00 0.00 28.75 28.39 1nwd h GLU 127 CO -0.00 0.54 -0.89 0.00 -1.16 0.00 0.00 179.01 177.50 1nwd n ALA 128 N -2.40 0.89 -3.81 3.43 0.00 -0.41 -5.03 120.51 113.18 1nwd n ALA 128 Ca 0.17 -2.62 -0.34 0.00 0.00 0.00 0.00 53.44 50.65 1nwd n ALA 128 Cb 0.38 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.76 4.96 0.04 0.00 -1.08 -0.52 -4.62 116.67 113.69 1nwd s ASP 129 Ca 0.33 -2.76 -0.32 0.00 -0.52 0.00 0.00 52.55 49.28 1nwd s ASP 129 Cb 0.28 -1.78 -0.18 0.00 -1.46 0.00 0.00 42.92 39.78 1nwd s ASP 129 CO -0.10 -0.35 1.41 0.40 0.52 0.00 0.00 175.17 177.04 1nwd h ILE 130 N 5.54 0.12 0.58 4.11 2.04 -1.90 -3.31 117.51 124.69 1nwd h ILE 130 Ca -0.05 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1nwd h ILE 130 Cb 0.95 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1nwd h ILE 130 CO 0.69 0.01 -0.28 -0.78 0.00 0.00 0.00 178.15 177.79 1nwd h ASP 131 N -1.20 -0.66 -2.82 1.72 3.58 -1.95 -3.49 116.42 111.60 1nwd h ASP 131 Ca -0.11 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1nwd h ASP 131 Cb 0.84 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.06 1nwd h ASP 131 CO 0.18 -0.42 0.00 0.61 -2.88 0.00 0.00 179.24 176.73 1nwd n GLY 132 N -1.22 -1.55 2.70 -0.78 0.00 -1.25 -5.07 105.19 98.02 1nwd n GLY 132 Ca -0.12 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.26 -1.13 -2.68 1.61 5.75 -1.26 -5.00 116.55 113.58 1nwd n ASP 133 Ca 0.00 -2.37 -0.15 0.00 -0.01 0.00 0.00 54.79 52.25 1nwd n ASP 133 Cb 0.00 0.62 -0.00 0.00 -1.03 0.00 0.00 41.12 40.71 1nwd n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nwd n GLY 134 N -0.86 -0.50 3.30 6.12 0.00 -1.26 -4.94 105.19 107.05 1nwd n GLY 134 Ca -0.06 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1nwd n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwd s GLN 135 N -5.29 1.04 -0.47 1.61 -0.21 -1.26 -2.83 119.66 112.25 1nwd s GLN 135 Ca 0.11 -1.01 0.03 0.00 0.02 0.00 0.00 55.36 54.51 1nwd s GLN 135 Cb -0.06 0.39 0.13 0.00 1.00 0.00 0.00 33.01 34.47 1nwd s GLN 135 CO 0.13 -0.37 0.22 0.08 -2.12 0.00 0.00 175.29 173.23 1nwd s VAL 136 N -3.90 2.21 1.18 1.09 1.01 -0.73 -4.81 120.40 116.44 1nwd s VAL 136 Ca 0.10 -2.92 -0.13 0.00 0.00 0.00 0.00 61.98 59.03 1nwd s VAL 136 Cb 0.03 -2.55 0.29 0.00 0.00 0.00 0.00 36.38 34.15 1nwd s VAL 136 CO -0.06 -0.78 1.02 0.21 0.00 0.00 0.00 175.10 175.49 1nwd s ASN 137 N 0.11 0.86 0.20 3.32 3.84 -1.26 -2.45 114.94 119.57 1nwd s ASN 137 Ca 0.16 1.48 -0.12 0.00 0.21 0.00 0.00 52.86 54.59 1nwd s ASN 137 Cb -0.24 -2.28 0.25 0.00 -0.55 0.00 0.00 41.25 38.43 1nwd s ASN 137 CO -0.02 -4.27 1.69 1.88 -2.79 0.00 0.00 177.10 173.59 1nwd h TYR 138 N -2.67 0.07 0.00 0.43 0.05 -1.95 0.60 116.97 113.50 1nwd h TYR 138 Ca -0.62 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.19 1nwd h TYR 138 Cb 1.34 0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.13 1nwd h TYR 138 CO 0.25 -0.08 0.00 0.39 -1.05 0.00 0.00 178.16 177.67 1nwd n GLU 139 N -5.19 0.65 0.00 4.88 1.02 -1.26 -2.80 120.64 117.94 1nwd n GLU 139 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1nwd n GLU 139 Cb 0.30 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 1nwd n GLU 139 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nwd n GLU 140 N -0.28 0.00 -0.15 3.49 1.02 -0.56 -4.37 120.64 119.78 1nwd n GLU 140 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1nwd n GLU 140 Cb 0.05 -0.78 0.02 0.00 -0.02 0.00 0.00 31.44 30.71 1nwd n GLU 140 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1nwd h PHE 141 N 0.00 0.56 0.33 -0.32 3.57 -0.89 0.27 116.94 120.46 1nwd h PHE 141 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1nwd h PHE 141 Cb 0.59 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1nwd h PHE 141 CO 0.00 0.33 -0.16 0.28 -2.23 0.00 0.00 178.31 176.54 1nwd h VAL 142 N 0.60 0.61 -0.50 1.41 2.07 -1.78 -3.31 116.25 115.34 1nwd h VAL 142 Ca 0.18 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 67.14 1nwd h VAL 142 Cb -0.03 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1nwd h VAL 142 CO -0.06 0.11 0.34 -0.61 0.02 0.00 0.00 177.57 177.37 1nwd h GLN 143 N -0.84 0.33 0.55 1.57 5.75 -1.72 0.18 115.11 120.92 1nwd h GLN 143 Ca -0.05 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.42 1nwd h GLN 143 Cb 0.52 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 1nwd h GLN 143 CO 0.07 0.22 -0.50 0.52 -2.65 0.00 0.00 178.83 176.49 1nwd h MET 144 N 0.34 -1.00 0.00 1.69 2.86 -1.05 -1.98 114.93 115.79 1nwd h MET 144 Ca 0.23 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 1nwd h MET 144 Cb 0.46 0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.35 1nwd h MET 144 CO -0.05 -0.66 0.00 0.52 1.06 0.00 0.00 176.91 177.77 1nwd h MET 145 N -1.03 0.00 -2.18 1.72 2.86 -1.48 -3.33 114.93 111.49 1nwd h MET 145 Ca -0.07 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.99 1nwd h MET 145 Cb 0.89 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.13 1nwd h MET 145 CO -0.04 0.00 -0.75 2.41 1.06 0.00 0.00 176.91 179.59 1nwd n THR 146 N -2.83 1.90 -3.13 2.22 -1.04 0.58 -4.97 114.28 107.00 1nwd n THR 146 Ca 0.02 -5.11 -0.44 0.00 -2.04 0.00 0.00 64.05 56.48 1nwd n THR 146 Cb 0.33 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 1nwd n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nwd n ALA 147 N 0.49 4.62 0.67 2.41 0.00 -0.76 -4.46 120.51 123.48 1nwd n ALA 147 Ca 0.29 -4.67 0.05 0.00 0.00 0.00 0.00 53.44 49.11 1nwd n ALA 147 Cb 0.45 -2.50 0.32 0.00 0.00 0.00 0.00 19.45 17.72 1nwd n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86