#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 3.98 0.17 0.00 1.01 -1.26 -5.12 116.67 115.46 1nwd s ASP 2 Ca 0.00 -1.59 -0.31 0.00 0.71 0.00 0.00 52.55 51.36 1nwd s ASP 2 Cb 0.00 -0.89 -0.09 0.00 1.01 0.00 0.00 42.92 42.95 1nwd s ASP 2 CO 0.00 -0.40 1.47 -1.58 0.21 0.00 0.00 175.17 174.87 1nwd s GLN 3 N 1.59 4.27 0.65 8.23 0.74 -1.26 -5.01 119.66 128.88 1nwd s GLN 3 Ca 0.09 2.24 -0.16 0.00 0.05 0.00 0.00 55.36 57.57 1nwd s GLN 3 Cb -0.17 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.75 1nwd s GLN 3 CO -0.23 -0.49 1.15 -0.48 -0.55 0.00 0.00 175.29 174.69 1nwd s LEU 4 N 0.71 3.47 0.02 3.68 0.05 -1.26 -5.07 118.68 120.28 1nwd s LEU 4 Ca 0.65 2.17 -0.07 0.00 0.05 0.00 0.00 54.13 56.93 1nwd s LEU 4 Cb -0.41 -4.57 -0.00 0.00 -2.05 0.00 0.00 46.19 39.16 1nwd s LEU 4 CO 0.34 -1.70 0.13 -0.89 -0.55 0.00 0.00 176.35 173.68 1nwd s THR 5 N -2.06 0.11 -1.82 5.48 2.01 -1.26 -5.05 115.64 113.05 1nwd s THR 5 Ca 0.71 -0.88 0.12 0.00 0.31 0.00 0.00 61.69 61.95 1nwd s THR 5 Cb -0.24 -0.70 0.31 0.00 0.01 0.00 0.00 72.50 71.88 1nwd s THR 5 CO 0.39 -0.49 1.21 -1.84 -0.69 0.00 0.00 174.62 173.20 1nwd n GLU 6 N 1.04 0.32 0.01 4.92 0.28 -1.26 -3.48 120.64 122.47 1nwd n GLU 6 Ca -0.21 0.05 -0.10 0.00 -0.16 0.00 0.00 57.16 56.75 1nwd n GLU 6 Cb 0.57 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.90 1nwd n GLU 6 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 1nwd h GLU 7 N 0.00 -0.06 -0.65 3.44 4.57 -2.00 -2.49 114.58 117.39 1nwd h GLU 7 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 1nwd h GLU 7 Cb 0.03 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 1nwd h GLU 7 CO 0.00 -0.04 0.35 0.37 -1.18 0.00 0.00 179.01 178.52 1nwd h GLN 8 N -0.06 0.63 -0.01 1.92 4.15 -1.99 -2.05 115.11 117.71 1nwd h GLN 8 Ca 0.06 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.46 1nwd h GLN 8 Cb 0.14 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1nwd h GLN 8 CO -0.13 0.42 -0.08 0.82 -1.93 0.00 0.00 178.83 177.92 1nwd h ILE 9 N 0.65 0.78 -0.11 2.39 2.04 -1.70 0.01 117.51 121.57 1nwd h ILE 9 Ca 0.30 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.18 1nwd h ILE 9 Cb 0.20 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1nwd h ILE 9 CO -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 177.95 1nwd h ALA 10 N 0.85 0.09 -0.85 1.87 0.00 -1.38 -1.41 119.26 118.44 1nwd h ALA 10 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1nwd h ALA 10 Cb 0.19 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1nwd h ALA 10 CO -0.09 -0.47 0.56 1.49 0.00 0.00 0.00 179.25 180.74 1nwd h GLU 11 N 0.02 1.00 0.04 0.00 4.22 -1.06 -1.57 114.58 117.23 1nwd h GLU 11 Ca 0.05 -0.06 -0.21 0.00 0.08 0.00 0.00 59.36 59.22 1nwd h GLU 11 Cb 0.07 -0.23 0.02 0.00 0.50 0.00 0.00 28.75 29.11 1nwd h GLU 11 CO -0.10 0.66 -0.86 0.35 -2.18 0.00 0.00 179.01 176.89 1nwd h PHE 12 N 1.03 0.79 -0.78 0.92 3.04 -0.83 -2.60 116.94 118.51 1nwd h PHE 12 Ca 0.34 -0.46 0.05 0.00 3.98 0.00 0.00 57.97 61.89 1nwd h PHE 12 Cb 0.06 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.43 1nwd h PHE 12 CO -0.00 1.29 0.47 0.87 -2.02 0.00 0.00 178.31 178.93 1nwd h LYS 13 N 0.06 0.85 -0.17 1.11 1.57 -1.11 -2.11 116.57 116.78 1nwd h LYS 13 Ca -0.12 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1nwd h LYS 13 Cb 1.56 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.63 1nwd h LYS 13 CO 0.17 0.56 -0.11 1.49 -0.57 0.00 0.00 179.45 180.99 1nwd h GLU 14 N 0.88 -0.10 -0.50 3.15 4.81 -1.32 -0.20 114.58 121.29 1nwd h GLU 14 Ca 0.33 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.67 1nwd h GLU 14 Cb 0.14 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.46 1nwd h GLU 14 CO -0.16 -0.07 0.03 0.00 -0.73 0.00 0.00 179.01 178.08 1nwd h ALA 15 N 1.02 0.51 0.02 2.92 0.00 -0.99 -2.10 119.26 120.64 1nwd h ALA 15 Ca 0.10 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nwd h ALA 15 Cb 0.26 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nwd h ALA 15 CO -0.24 -0.37 -0.01 0.35 0.00 0.00 0.00 179.25 178.99 1nwd h PHE 16 N 0.15 -0.02 -0.60 0.00 3.57 -1.34 -3.33 116.94 115.36 1nwd h PHE 16 Ca 0.26 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1nwd h PHE 16 Cb 0.38 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1nwd h PHE 16 CO -0.29 0.73 0.34 1.03 -2.23 0.00 0.00 178.31 177.90 1nwd h SER 17 N -0.85 0.74 -0.48 0.41 0.87 -0.98 -0.88 113.55 112.39 1nwd h SER 17 Ca -0.00 -0.08 0.09 0.00 -1.23 0.00 0.00 61.79 60.57 1nwd h SER 17 Cb 0.76 -0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 62.45 1nwd h SER 17 CO 0.00 0.61 -0.06 0.25 -0.53 0.00 0.00 176.83 177.11 1nwd h LEU 18 N 0.82 -0.32 -0.09 2.23 6.46 -1.56 -2.69 115.31 120.17 1nwd h LEU 18 Ca 0.21 0.13 -0.00 0.00 -0.12 0.00 0.00 57.88 58.10 1nwd h LEU 18 Cb 0.02 0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 1nwd h LEU 18 CO -0.04 -0.11 0.05 0.15 -0.62 0.00 0.00 178.44 177.87 1nwd h PHE 19 N 0.06 0.12 -0.24 1.25 3.04 -1.52 -3.27 116.94 116.38 1nwd h PHE 19 Ca 0.24 -0.00 -0.60 0.00 3.98 0.00 0.00 57.97 61.58 1nwd h PHE 19 Cb 0.36 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1nwd h PHE 19 CO -0.35 0.14 2.24 -0.25 -2.02 0.00 0.00 178.31 178.06 1nwd n ASP 20 N -4.99 3.36 -0.25 0.41 8.00 -0.39 -4.73 116.55 117.96 1nwd n ASP 20 Ca -0.06 -2.76 -0.06 0.00 0.71 0.00 0.00 54.79 52.62 1nwd n ASP 20 Cb 0.06 -1.48 0.05 0.00 -0.02 0.00 0.00 41.12 39.73 1nwd n ASP 20 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1nwd h LYS 21 N 7.75 1.02 -0.55 -1.24 3.11 -1.67 -2.20 116.57 122.79 1nwd h LYS 21 Ca 0.42 -0.16 0.07 0.00 -2.81 0.00 0.00 60.65 58.17 1nwd h LYS 21 Cb 0.75 -0.18 -0.06 0.00 -1.00 0.00 0.00 32.23 31.74 1nwd h LYS 21 CO 1.71 0.82 0.23 -0.44 -2.81 0.00 0.00 179.45 178.96 1nwd h ASP 22 N 0.98 0.28 0.00 4.20 3.32 -1.92 -3.47 116.42 119.81 1nwd h ASP 22 Ca 0.24 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1nwd h ASP 22 Cb 0.15 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1nwd h ASP 22 CO -0.03 0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 1nwd n GLY 23 N -1.27 1.80 0.37 2.75 0.00 -0.83 -4.97 105.19 103.05 1nwd n GLY 23 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.65 0.00 1.61 3.04 -1.92 -3.46 116.42 116.33 1nwd h ASP 24 Ca 0.00 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.84 1nwd h ASP 24 Cb 0.00 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 1nwd h ASP 24 CO 0.00 0.30 0.00 0.61 -2.04 0.00 0.00 179.24 178.11 1nwd n GLY 25 N -1.42 1.62 3.10 7.15 0.00 -1.26 -5.07 105.19 109.32 1nwd n GLY 25 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 0.00 -0.86 2.61 -4.23 -1.26 -3.00 115.64 106.90 1nwd s THR 26 Ca 0.00 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.50 1nwd s THR 26 Cb 0.00 -0.32 0.23 0.00 1.34 0.00 0.00 72.50 73.75 1nwd s THR 26 CO 0.00 -0.01 0.81 -0.38 -0.54 0.00 0.00 174.62 174.51 1nwd n ILE 27 N 2.93 2.99 -0.78 2.99 -0.00 -1.18 -4.92 119.36 121.40 1nwd n ILE 27 Ca -0.13 -5.17 -0.30 0.00 -0.00 0.00 0.00 62.75 57.15 1nwd n ILE 27 Cb 0.58 -2.30 0.25 0.00 -0.00 0.00 0.00 39.64 38.17 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 -1.65 1.64 0.22 1.39 -1.32 -1.26 -4.17 115.64 110.48 1nwd s THR 28 Ca 0.29 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.69 1nwd s THR 28 Cb -0.03 -2.28 0.17 0.00 -1.51 0.00 0.00 72.50 68.85 1nwd s THR 28 CO -0.10 0.00 1.72 0.71 -2.21 0.00 0.00 174.62 174.74 1nwd h THR 29 N -2.74 0.66 0.09 5.08 1.35 -1.86 -2.43 112.91 113.06 1nwd h THR 29 Ca -0.50 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1nwd h THR 29 Cb 1.32 0.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1nwd h THR 29 CO 0.40 0.06 -0.07 0.50 -0.25 0.00 0.00 175.52 176.16 1nwd h LYS 30 N 0.32 -0.16 -0.87 4.72 1.63 -1.97 -1.04 116.57 119.19 1nwd h LYS 30 Ca 0.33 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.13 1nwd h LYS 30 Cb 0.48 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 1nwd h LYS 30 CO -0.39 -0.10 0.49 1.49 -3.45 0.00 0.00 179.45 177.49 1nwd h GLU 31 N -0.16 1.21 -0.87 1.90 4.81 -1.88 -0.80 114.58 118.79 1nwd h GLU 31 Ca -0.00 -0.13 0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1nwd h GLU 31 Cb 0.14 -0.24 -0.08 0.00 0.63 0.00 0.00 28.75 29.20 1nwd h GLU 31 CO -0.00 0.88 0.50 1.25 -0.73 0.00 0.00 179.01 180.91 1nwd h LEU 32 N 1.22 0.70 0.55 1.64 7.12 -1.16 -2.80 115.31 122.58 1nwd h LEU 32 Ca 0.31 0.06 -0.03 0.00 0.13 0.00 0.00 57.88 58.35 1nwd h LEU 32 Cb 0.01 -0.07 0.01 0.00 -0.53 0.00 0.00 40.66 40.08 1nwd h LEU 32 CO -0.05 0.36 -0.26 1.23 -0.13 0.00 0.00 178.44 179.59 1nwd h GLY 33 N 0.79 -0.77 0.58 3.75 0.00 0.08 -3.23 103.07 104.28 1nwd h GLY 33 Ca 0.44 0.29 0.09 0.00 0.00 0.00 0.00 47.33 48.14 1nwd h GLY 33 CO -0.28 -0.28 0.49 -0.91 0.00 0.00 0.00 176.54 175.56 1nwd h THR 34 N -0.85 0.95 0.03 4.70 1.35 -1.05 -0.36 112.91 117.68 1nwd h THR 34 Ca -0.08 -0.29 0.02 0.00 -0.55 0.00 0.00 66.41 65.51 1nwd h THR 34 Cb 0.61 0.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.03 1nwd h THR 34 CO 0.12 0.15 -0.14 0.58 -0.25 0.00 0.00 175.52 175.99 1nwd h VAL 35 N 0.85 0.66 -0.64 6.82 2.07 -1.59 -0.96 116.25 123.46 1nwd h VAL 35 Ca 0.39 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.84 1nwd h VAL 35 Cb 0.31 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1nwd h VAL 35 CO -0.23 0.00 0.11 0.24 0.02 0.00 0.00 177.57 177.72 1nwd h MET 36 N -0.25 1.05 -0.14 1.57 2.86 -1.48 -3.19 114.93 115.35 1nwd h MET 36 Ca 0.04 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1nwd h MET 36 Cb 0.30 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1nwd h MET 36 CO -0.11 0.97 0.07 -0.09 1.06 0.00 0.00 176.91 178.81 1nwd h ARG 37 N 0.97 0.20 -0.78 1.72 1.12 -0.58 -0.95 114.38 116.09 1nwd h ARG 37 Ca 0.20 -0.03 0.13 0.00 -1.11 0.00 0.00 59.98 59.16 1nwd h ARG 37 Cb 0.42 -0.04 -0.09 0.00 -0.01 0.00 0.00 29.97 30.26 1nwd h ARG 37 CO 0.01 0.26 0.36 1.03 -3.11 0.00 0.00 179.97 178.52 1nwd h SER 38 N 0.10 0.42 0.47 -3.80 0.87 -1.20 -2.76 113.55 107.64 1nwd h SER 38 Ca 0.05 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1nwd h SER 38 Cb 0.12 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1nwd h SER 38 CO -0.01 0.19 -0.22 -0.07 -0.53 0.00 0.00 176.83 176.19 1nwd h LEU 39 N 0.55 -0.53 0.00 2.23 3.38 -1.52 -3.48 115.31 115.94 1nwd h LEU 39 Ca 0.41 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.31 1nwd h LEU 39 Cb 0.56 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1nwd h LEU 39 CO -0.35 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 178.66 1nwd n GLY 40 N -0.19 -0.39 3.07 0.83 0.00 -0.62 -5.14 105.19 102.76 1nwd n GLY 40 Ca -0.10 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.22 -0.90 1.61 -0.21 -0.46 -4.99 119.66 114.94 1nwd s GLN 41 Ca 0.00 0.39 -0.07 0.00 0.02 0.00 0.00 55.36 55.70 1nwd s GLN 41 Cb 0.00 0.01 0.23 0.00 1.00 0.00 0.00 33.01 34.25 1nwd s GLN 41 CO 0.00 -0.09 0.82 0.54 -2.12 0.00 0.00 175.29 174.44 1nwd s ASN 42 N 0.61 6.41 0.78 5.90 4.22 -1.26 -2.19 114.94 129.40 1nwd s ASN 42 Ca -0.04 -3.34 -0.12 0.00 -2.14 0.00 0.00 52.86 47.23 1nwd s ASN 42 Cb -0.05 -2.05 0.07 0.00 1.28 0.00 0.00 41.25 40.49 1nwd s ASN 42 CO -0.03 -0.32 1.12 -2.16 -2.04 0.00 0.00 177.10 173.67 1nwd s PRO 43 N -0.81 2.03 -0.20 3.55 0.04 -1.26 -5.04 135.00 133.31 1nwd s PRO 43 Ca 0.25 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.57 1nwd s PRO 43 Cb -0.11 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 1nwd s PRO 43 CO -0.09 -1.85 0.16 0.95 0.04 0.00 0.00 177.00 176.21 1nwd s THR 44 N -2.61 5.38 0.38 1.26 -4.23 -1.26 -5.02 115.64 109.55 1nwd s THR 44 Ca 0.65 0.24 0.07 0.00 -1.18 0.00 0.00 61.69 61.47 1nwd s THR 44 Cb -0.21 -3.50 0.30 0.00 1.34 0.00 0.00 72.50 70.43 1nwd s THR 44 CO 0.52 0.41 1.97 -0.33 -0.54 0.00 0.00 174.62 176.66 1nwd h GLU 45 N 6.87 0.65 -0.31 3.99 5.08 -1.97 -2.24 114.58 126.65 1nwd h GLU 45 Ca -0.40 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1nwd h GLU 45 Cb 1.16 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 1nwd h GLU 45 CO 0.74 0.43 -0.03 0.00 -1.00 0.00 0.00 179.01 179.14 1nwd h ALA 46 N 1.64 0.25 -0.27 3.43 0.00 -2.01 -2.52 119.26 119.77 1nwd h ALA 46 Ca 0.29 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 1nwd h ALA 46 Cb 0.27 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1nwd h ALA 46 CO -0.09 -0.43 0.15 0.93 0.00 0.00 0.00 179.25 179.81 1nwd h GLU 47 N 0.05 0.37 -0.86 0.00 4.39 -1.84 -3.10 114.58 113.58 1nwd h GLU 47 Ca 0.15 -0.04 0.19 0.00 0.34 0.00 0.00 59.36 60.00 1nwd h GLU 47 Cb 0.22 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.73 1nwd h GLU 47 CO -0.29 0.32 0.58 -0.07 -1.16 0.00 0.00 179.01 178.39 1nwd h LEU 48 N 0.33 0.39 0.44 1.33 3.38 -1.17 -2.13 115.31 117.88 1nwd h LEU 48 Ca 0.10 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1nwd h LEU 48 Cb 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1nwd h LEU 48 CO -0.02 0.17 -0.21 -0.61 0.09 0.00 0.00 178.44 177.86 1nwd h GLN 49 N 0.40 -0.57 -0.41 1.13 4.15 -1.41 -3.38 115.11 115.02 1nwd h GLN 49 Ca 0.44 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.98 1nwd h GLN 49 Cb 1.10 0.13 -0.08 0.00 0.21 0.00 0.00 27.48 28.85 1nwd h GLN 49 CO -0.16 -0.35 -0.10 -0.44 -1.93 0.00 0.00 178.83 175.85 1nwd h ASP 50 N -1.13 -0.38 -1.05 -0.69 5.19 -1.37 -1.57 116.42 115.42 1nwd h ASP 50 Ca -0.06 0.12 0.31 0.00 -0.62 0.00 0.00 57.03 56.78 1nwd h ASP 50 Cb 0.49 0.25 -0.13 0.00 0.18 0.00 0.00 39.33 40.12 1nwd h ASP 50 CO 0.10 -0.13 0.63 0.00 -3.12 0.00 0.00 179.24 176.72 1nwd h MET 51 N -0.00 0.36 0.07 3.56 -0.00 -1.58 -0.21 114.93 117.12 1nwd h MET 51 Ca 0.19 -0.02 -0.10 0.00 -0.00 0.00 0.00 59.70 59.77 1nwd h MET 51 Cb 0.30 -0.08 0.01 0.00 -0.00 0.00 0.00 31.60 31.82 1nwd h MET 51 CO -0.42 0.24 -0.45 0.82 -0.00 0.00 0.00 176.91 177.10 1nwd h ILE 52 N 0.37 1.62 -0.99 -0.10 1.08 -1.59 -3.39 117.51 114.51 1nwd h ILE 52 Ca 0.70 -2.43 0.17 0.00 -0.39 0.00 0.00 64.86 62.91 1nwd h ILE 52 Cb 1.65 3.25 -0.10 0.00 -3.07 0.00 0.00 36.82 38.55 1nwd h ILE 52 CO -0.49 0.65 0.60 -1.13 -0.69 0.00 0.00 178.15 177.09 1nwd h ASN 53 N -0.70 0.80 -0.56 1.72 -0.73 -0.09 -2.98 115.58 113.04 1nwd h ASN 53 Ca -0.08 0.08 0.05 0.00 1.87 0.00 0.00 56.30 58.22 1nwd h ASN 53 Cb 1.32 -0.06 -0.07 0.00 0.27 0.00 0.00 38.32 39.78 1nwd h ASN 53 CO 0.06 0.33 -0.33 -0.62 -0.37 0.00 0.00 177.43 176.50 1nwd n GLU 54 N -4.74 -0.25 0.08 6.67 4.71 -0.73 -2.37 120.64 124.02 1nwd n GLU 54 Ca 0.22 1.11 -0.15 0.00 -0.01 0.00 0.00 57.16 58.33 1nwd n GLU 54 Cb 0.50 -1.64 -0.14 0.00 -1.01 0.00 0.00 31.44 29.15 1nwd n GLU 54 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1nwd h VAL 55 N 0.00 1.40 -2.24 2.62 2.07 -1.81 -3.44 116.25 114.85 1nwd h VAL 55 Ca 0.09 -3.02 -0.54 0.00 0.82 0.00 0.00 66.70 64.05 1nwd h VAL 55 Cb 0.23 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1nwd h VAL 55 CO -0.53 0.87 1.38 -1.81 0.02 0.00 0.00 177.57 177.49 1nwd s ASP 56 N -6.99 5.44 0.08 0.57 1.11 -1.00 -3.63 116.67 112.25 1nwd s ASP 56 Ca -0.05 1.08 -0.31 0.00 0.18 0.00 0.00 52.55 53.45 1nwd s ASP 56 Cb 0.07 -2.52 -0.18 0.00 1.07 0.00 0.00 42.92 41.37 1nwd s ASP 56 CO 0.86 -2.10 1.65 0.00 1.18 0.00 0.00 175.17 176.76 1nwd h ALA 57 N 14.74 -0.72 -0.69 5.23 0.00 -1.81 -2.71 119.26 133.30 1nwd h ALA 57 Ca -0.31 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 54.58 1nwd h ALA 57 Cb 1.19 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 19.19 1nwd h ALA 57 CO 1.09 -0.91 0.23 0.38 0.00 0.00 0.00 179.25 180.05 1nwd h ASP 58 N -0.72 0.16 -5.01 0.00 3.04 -1.90 -3.47 116.42 108.52 1nwd h ASP 58 Ca -0.07 0.11 -0.30 0.00 -3.24 0.00 0.00 57.03 53.54 1nwd h ASP 58 Cb 0.56 0.12 0.13 0.00 -1.04 0.00 0.00 39.33 39.10 1nwd h ASP 58 CO 0.10 0.06 -0.61 0.61 -2.04 0.00 0.00 179.24 177.37 1nwd n GLY 59 N -1.32 -0.25 0.07 7.15 0.00 -1.02 -4.96 105.19 104.85 1nwd n GLY 59 Ca 0.12 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.84 -0.02 0.00 1.61 4.21 -1.91 -3.49 115.58 114.14 1nwd h ASN 60 Ca -0.48 -0.60 0.00 0.00 1.21 0.00 0.00 56.30 56.43 1nwd h ASN 60 Cb 1.29 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1nwd h ASN 60 CO 0.43 0.61 0.00 0.61 -1.29 0.00 0.00 177.43 177.79 1nwd n GLY 61 N 0.61 2.99 3.67 2.83 0.00 -1.26 -5.10 105.19 108.94 1nwd n GLY 61 Ca -0.09 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 1nwd n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nwd n THR 62 N 0.00 0.68 -3.13 2.61 -2.24 -1.26 -4.70 114.28 106.25 1nwd n THR 62 Ca 0.00 -0.12 -0.45 0.00 -2.27 0.00 0.00 64.05 61.20 1nwd n THR 62 Cb 0.00 -2.24 -0.03 0.00 -2.10 0.00 0.00 70.33 65.96 1nwd n THR 62 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1nwd s ILE 63 N 4.12 5.08 1.10 2.28 1.10 -1.26 -4.95 121.20 128.67 1nwd s ILE 63 Ca 0.88 -1.75 -0.18 0.00 -0.51 0.00 0.00 60.65 59.10 1nwd s ILE 63 Cb -0.47 -4.58 0.25 0.00 0.15 0.00 0.00 42.46 37.80 1nwd s ILE 63 CO 0.42 -1.23 1.18 -1.81 -2.11 0.00 0.00 174.94 171.40 1nwd s ASP 64 N 3.09 1.84 0.05 4.50 1.11 -1.26 -3.11 116.67 122.89 1nwd s ASP 64 Ca 0.21 0.55 -0.13 0.00 0.18 0.00 0.00 52.55 53.36 1nwd s ASP 64 Cb -0.12 -0.76 -0.04 0.00 1.07 0.00 0.00 42.92 43.07 1nwd s ASP 64 CO -0.05 -3.55 1.22 -0.26 1.18 0.00 0.00 175.17 173.71 1nwd h PHE 65 N -2.19 -0.68 -1.00 4.23 0.04 -1.95 -1.54 116.94 113.85 1nwd h PHE 65 Ca -0.45 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.40 1nwd h PHE 65 Cb 1.28 0.32 -0.06 0.00 2.20 0.00 0.00 35.95 39.69 1nwd h PHE 65 CO -1.59 -0.19 0.65 -1.00 -0.60 0.00 0.00 178.31 175.58 1nwd h PRO 66 N -0.14 1.20 -0.19 1.51 0.13 -1.94 -2.78 132.00 129.79 1nwd h PRO 66 Ca 0.03 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 1nwd h PRO 66 Cb 0.23 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 1nwd h PRO 66 CO -0.25 0.79 0.09 0.93 -0.23 0.00 0.00 178.00 179.33 1nwd h GLU 67 N 1.24 0.28 -0.45 0.86 5.08 -1.84 -1.38 114.58 118.37 1nwd h GLU 67 Ca 0.41 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 1nwd h GLU 67 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nwd h GLU 67 CO -0.14 0.32 0.11 0.35 -1.00 0.00 0.00 179.01 178.65 1nwd h PHE 68 N 0.18 0.76 -0.90 4.33 3.57 -1.22 0.31 116.94 123.97 1nwd h PHE 68 Ca 0.07 -0.09 0.10 0.00 3.53 0.00 0.00 57.97 61.57 1nwd h PHE 68 Cb 0.13 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 1nwd h PHE 68 CO -0.02 0.70 0.54 -0.07 -2.23 0.00 0.00 178.31 177.23 1nwd h LEU 69 N 0.60 0.80 0.16 0.59 4.07 -1.41 -3.05 115.31 117.08 1nwd h LEU 69 Ca 0.14 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 1nwd h LEU 69 Cb 0.32 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 41.95 1nwd h LEU 69 CO 0.00 0.46 -0.08 0.74 -1.08 0.00 0.00 178.44 178.48 1nwd h THR 70 N 0.91 0.90 -0.48 0.22 2.02 -1.02 -3.22 112.91 112.24 1nwd h THR 70 Ca 0.43 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.59 1nwd h THR 70 Cb 0.36 1.48 -0.06 0.00 -1.74 0.00 0.00 68.15 68.19 1nwd h THR 70 CO -0.24 0.22 -0.28 0.80 0.37 0.00 0.00 175.52 176.39 1nwd n MET 71 N -4.94 -0.21 -0.01 6.66 0.00 0.08 -1.18 117.12 117.51 1nwd n MET 71 Ca -0.08 0.97 -0.00 0.00 0.00 0.00 0.00 57.70 58.58 1nwd n MET 71 Cb 0.27 -1.43 -0.00 0.00 0.00 0.00 0.00 33.22 32.06 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 -0.02 0.71 2.12 2.86 -1.71 -3.35 114.93 115.53 1nwd h MET 72 Ca 0.08 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 1nwd h MET 72 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1nwd h MET 72 CO -0.45 -0.01 -0.38 0.00 1.06 0.00 0.00 176.91 177.13 1nwd h ALA 73 N -1.53 -1.01 -3.00 6.32 0.00 -1.59 -3.42 119.26 115.03 1nwd h ALA 73 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nwd h ALA 73 Cb 0.02 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1nwd h ALA 73 CO 0.00 -1.07 0.00 0.54 0.00 0.00 0.00 179.25 178.72 1nwd n ARG 74 N -5.53 0.00 0.00 0.00 3.00 -0.33 -4.98 116.66 108.83 1nwd n ARG 74 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.70 1nwd n ARG 74 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.87 1nwd n ARG 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1nwd n LYS 75 N 0.00 0.00 -1.11 5.56 0.00 -0.60 -4.76 118.16 117.25 1nwd n LYS 75 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 58.31 58.02 1nwd n LYS 75 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.20 1nwd n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nwd s MET 76 N 4.19 0.57 -1.33 1.64 0.23 -1.26 -2.45 119.30 120.90 1nwd s MET 76 Ca 0.00 0.67 -0.16 0.00 -1.03 0.00 0.00 55.69 55.17 1nwd s MET 76 Cb 0.00 -1.74 0.07 0.00 -1.53 0.00 0.00 34.83 31.63 1nwd s MET 76 CO 0.00 -2.67 1.83 1.17 -2.03 0.00 0.00 175.02 173.32 1nwd n LYS 77 N -4.16 3.15 -2.39 3.16 0.00 -1.24 -4.82 118.16 111.86 1nwd n LYS 77 Ca 0.06 -3.18 -0.04 0.00 0.00 0.00 0.00 58.31 55.14 1nwd n LYS 77 Cb 0.56 -3.40 -0.01 0.00 0.00 0.00 0.00 35.03 32.18 1nwd n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1nwd n ASP 78 N 7.51 -0.24 0.00 3.14 8.00 -1.26 -4.58 116.55 129.12 1nwd n ASP 78 Ca 0.48 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1nwd n ASP 78 Cb 0.44 0.49 0.00 0.00 -0.02 0.00 0.00 41.12 42.03 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 -0.15 0.00 -2.50 -3.53 -2.24 -1.26 -4.49 114.28 100.11 1nwd n THR 79 Ca 0.01 0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.76 1nwd n THR 79 Cb 0.15 -0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 67.59 1nwd n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nwd s ASP 80 N -1.50 6.55 -0.24 3.42 2.15 -1.26 -4.72 116.67 121.08 1nwd s ASP 80 Ca 0.00 -2.25 -0.04 0.00 0.43 0.00 0.00 52.55 50.69 1nwd s ASP 80 Cb 0.00 -2.58 -0.18 0.00 -0.30 0.00 0.00 42.92 39.86 1nwd s ASP 80 CO 0.00 -1.47 -0.13 -1.20 -0.17 0.00 0.00 175.17 172.20 1nwd n SER 81 N 9.31 2.00 0.33 -0.34 7.64 -1.26 -4.44 113.62 126.85 1nwd n SER 81 Ca 0.47 0.03 0.22 0.00 1.01 0.00 0.00 58.87 60.60 1nwd n SER 81 Cb 0.46 -0.59 1.12 0.00 -1.01 0.00 0.00 64.21 64.20 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 -0.21 0.00 -0.36 1.43 4.11 -1.86 -0.92 114.58 116.77 1nwd h GLU 82 Ca -0.56 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.76 1nwd h GLU 82 Cb 1.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 1nwd h GLU 82 CO -0.12 0.00 -0.22 1.49 0.07 0.00 0.00 179.01 180.23 1nwd h GLU 83 N 0.00 0.70 0.00 1.06 4.81 -1.97 -3.25 114.58 115.93 1nwd h GLU 83 Ca -0.00 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1nwd h GLU 83 Cb 0.08 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1nwd h GLU 83 CO 0.00 0.87 -0.15 0.93 -0.73 0.00 0.00 179.01 179.92 1nwd h GLU 84 N 0.62 0.00 -0.58 1.92 5.08 -1.39 -0.05 114.58 120.18 1nwd h GLU 84 Ca 0.09 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1nwd h GLU 84 Cb 0.71 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1nwd h GLU 84 CO 0.05 0.15 0.38 0.82 -1.00 0.00 0.00 179.01 179.42 1nwd h ILE 85 N 0.00 1.14 -0.38 3.13 1.08 -1.64 -1.90 117.51 118.93 1nwd h ILE 85 Ca -0.00 -0.27 -0.10 0.00 -0.39 0.00 0.00 64.86 64.10 1nwd h ILE 85 Cb 0.33 0.29 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 1nwd h ILE 85 CO 0.02 0.14 -0.17 0.03 -0.69 0.00 0.00 178.15 177.48 1nwd h ARG 86 N 0.78 0.72 -0.78 2.37 3.08 -1.16 0.16 114.38 119.55 1nwd h ARG 86 Ca 0.22 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 60.04 1nwd h ARG 86 Cb -0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1nwd h ARG 86 CO -0.05 0.85 0.51 0.93 -1.07 0.00 0.00 179.97 181.14 1nwd h GLU 87 N 0.64 0.92 -0.25 0.04 4.39 -1.12 -1.04 114.58 118.16 1nwd h GLU 87 Ca 0.10 -0.06 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 1nwd h GLU 87 Cb 0.65 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1nwd h GLU 87 CO 0.05 0.61 -0.61 0.00 -1.16 0.00 0.00 179.01 177.89 1nwd h ALA 88 N 1.55 0.41 -0.17 3.43 0.00 -0.95 -3.34 119.26 120.19 1nwd h ALA 88 Ca 0.31 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1nwd h ALA 88 Cb 0.05 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nwd h ALA 88 CO -0.09 0.67 -0.55 0.74 0.00 0.00 0.00 179.25 180.01 1nwd h PHE 89 N 0.62 0.88 -0.30 0.00 -1.00 -0.57 -2.39 116.94 114.19 1nwd h PHE 89 Ca -0.01 -0.36 0.03 0.00 2.81 0.00 0.00 57.97 60.45 1nwd h PHE 89 Cb 1.23 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.63 1nwd h PHE 89 CO 0.08 1.15 0.20 0.07 -1.61 0.00 0.00 178.31 178.20 1nwd h ARG 90 N 0.36 0.25 0.47 1.51 0.11 -1.35 0.34 114.38 116.07 1nwd h ARG 90 Ca -0.02 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 1nwd h ARG 90 Cb 1.18 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.21 1nwd h ARG 90 CO 0.12 0.17 -0.23 0.28 0.10 0.00 0.00 179.97 180.41 1nwd h VAL 91 N 0.26 0.27 0.00 0.08 2.07 -1.67 -3.40 116.25 113.85 1nwd h VAL 91 Ca 0.12 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1nwd h VAL 91 Cb 0.18 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1nwd h VAL 91 CO -0.02 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.11 1nwd n PHE 92 N -5.22 0.00 -2.03 1.57 3.72 -0.84 -4.50 117.46 110.17 1nwd n PHE 92 Ca -0.09 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.91 1nwd n PHE 92 Cb 0.29 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.36 1nwd n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1nwd s ASP 93 N -2.51 5.39 0.27 4.37 2.15 0.11 -4.73 116.67 121.73 1nwd s ASP 93 Ca 0.00 0.56 -0.03 0.00 0.43 0.00 0.00 52.55 53.52 1nwd s ASP 93 Cb 0.00 -2.53 0.39 0.00 -0.30 0.00 0.00 42.92 40.48 1nwd s ASP 93 CO 0.00 -2.24 1.90 0.11 -0.17 0.00 0.00 175.17 174.78 1nwd h LYS 94 N 14.58 1.17 0.69 4.34 1.79 -1.77 -2.90 116.57 134.47 1nwd h LYS 94 Ca -0.27 -0.07 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 1nwd h LYS 94 Cb 1.17 -0.26 0.01 0.00 -1.58 0.00 0.00 32.23 31.56 1nwd h LYS 94 CO 1.18 0.77 -0.33 -0.44 -1.08 0.00 0.00 179.45 179.55 1nwd h ASP 95 N 1.21 -0.79 -3.62 0.86 3.32 -1.90 -3.49 116.42 112.01 1nwd h ASP 95 Ca 0.40 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.45 1nwd h ASP 95 Cb 0.07 0.20 0.03 0.00 0.22 0.00 0.00 39.33 39.85 1nwd h ASP 95 CO -0.14 -0.49 -0.13 0.61 -1.72 0.00 0.00 179.24 177.38 1nwd n GLY 96 N -0.94 -0.01 0.20 2.75 0.00 -1.10 -5.03 105.19 101.06 1nwd n GLY 96 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.62 0.24 -2.93 1.61 6.94 -1.26 -5.02 115.26 113.21 1nwd n ASN 97 Ca -0.01 -1.55 -0.15 0.00 -0.02 0.00 0.00 54.58 52.85 1nwd n ASN 97 Cb 0.52 -0.10 0.07 0.00 -2.36 0.00 0.00 39.78 37.91 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 -0.10 -0.20 3.14 4.83 0.00 -1.26 -5.01 105.19 106.58 1nwd n GLY 98 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.27 -1.52 -0.42 1.61 2.02 -1.23 -4.25 117.35 110.28 1nwd s TYR 99 Ca 0.14 0.28 -0.16 0.00 -0.37 0.00 0.00 57.07 56.96 1nwd s TYR 99 Cb -0.06 0.28 0.03 0.00 -0.40 0.00 0.00 41.96 41.80 1nwd s TYR 99 CO 0.58 -1.02 0.37 0.42 -1.57 0.00 0.00 175.55 174.33 1nwd s ILE 100 N 1.94 5.18 0.57 2.71 1.01 -0.54 -4.78 121.20 127.29 1nwd s ILE 100 Ca 0.16 -0.59 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 1nwd s ILE 100 Cb -0.03 -4.00 -0.05 0.00 0.01 0.00 0.00 42.46 38.38 1nwd s ILE 100 CO -0.09 -0.40 1.02 -0.94 0.00 0.00 0.00 174.94 174.53 1nwd s SER 101 N 1.86 6.16 0.41 3.58 1.04 -1.26 -1.70 113.70 123.79 1nwd s SER 101 Ca 0.08 1.66 0.15 0.00 0.48 0.00 0.00 55.95 58.32 1nwd s SER 101 Cb -0.19 -2.51 1.02 0.00 0.10 0.00 0.00 66.02 64.44 1nwd s SER 101 CO 0.11 -0.91 1.88 0.00 0.98 0.00 0.00 173.24 175.30 1nwd h ALA 102 N 0.49 2.10 0.16 5.32 0.00 -1.96 -2.32 119.26 123.05 1nwd h ALA 102 Ca -0.46 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1nwd h ALA 102 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1nwd h ALA 102 CO 0.60 -0.35 -0.08 0.00 0.00 0.00 0.00 179.25 179.41 1nwd h ALA 103 N 1.62 -0.22 -0.47 0.00 0.00 -1.93 -1.97 119.26 116.29 1nwd h ALA 103 Ca 0.43 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nwd h ALA 103 Cb 0.97 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1nwd h ALA 103 CO -0.16 -0.44 0.28 0.93 0.00 0.00 0.00 179.25 179.86 1nwd h GLU 104 N -0.59 0.62 0.78 0.00 5.08 -1.88 -0.73 114.58 117.87 1nwd h GLU 104 Ca -0.02 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1nwd h GLU 104 Cb 0.44 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nwd h GLU 104 CO 0.04 0.43 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.04 1nwd h LEU 105 N 0.64 -0.89 -0.44 1.33 3.38 -1.43 -3.18 115.31 114.72 1nwd h LEU 105 Ca 0.17 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.25 1nwd h LEU 105 Cb -0.03 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 1nwd h LEU 105 CO -0.03 -0.54 -0.12 -0.09 0.09 0.00 0.00 178.44 177.74 1nwd h ARG 106 N -1.22 -0.02 -0.16 1.13 2.43 -1.15 -3.03 114.38 112.36 1nwd h ARG 106 Ca -0.11 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1nwd h ARG 106 Cb 0.82 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.31 1nwd h ARG 106 CO 0.18 -0.01 -0.47 1.25 -1.51 0.00 0.00 179.97 179.41 1nwd h HIS 107 N -0.02 -1.40 -0.35 2.20 2.76 -1.21 -0.22 115.15 116.92 1nwd h HIS 107 Ca 0.21 0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.46 1nwd h HIS 107 Cb 0.34 0.63 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 1nwd h HIS 107 CO -0.39 -0.46 0.19 0.28 -1.30 0.00 0.00 177.93 176.25 1nwd h VAL 108 N -0.46 1.01 -0.94 5.26 2.07 -1.52 -1.05 116.25 120.61 1nwd h VAL 108 Ca 0.03 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1nwd h VAL 108 Cb 0.56 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1nwd h VAL 108 CO -0.40 0.07 0.61 0.24 0.02 0.00 0.00 177.57 178.11 1nwd h MET 109 N 0.38 1.07 -0.04 1.57 2.07 -1.39 -2.71 114.93 115.88 1nwd h MET 109 Ca 0.14 -0.06 -0.00 0.00 -2.07 0.00 0.00 59.70 57.70 1nwd h MET 109 Cb 0.03 -0.24 -0.00 0.00 -1.87 0.00 0.00 31.60 29.52 1nwd h MET 109 CO -0.08 0.71 0.00 1.15 1.07 0.00 0.00 176.91 179.76 1nwd h THR 110 N 1.10 1.22 -0.71 2.22 2.02 -0.41 -3.09 112.91 115.26 1nwd h THR 110 Ca 0.40 -0.65 0.13 0.00 0.77 0.00 0.00 66.41 67.05 1nwd h THR 110 Cb 0.15 1.59 -0.09 0.00 -1.74 0.00 0.00 68.15 68.06 1nwd h THR 110 CO -0.14 0.18 0.25 0.78 0.37 0.00 0.00 175.52 176.95 1nwd h ASN 111 N -0.20 0.19 0.73 4.18 -0.26 -0.95 -2.82 115.58 116.45 1nwd h ASN 111 Ca 0.01 0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 55.83 1nwd h ASN 111 Cb 0.28 0.11 0.01 0.00 -1.06 0.00 0.00 38.32 37.65 1nwd h ASN 111 CO 0.00 0.07 -0.36 -0.07 -1.06 0.00 0.00 177.43 176.02 1nwd h LEU 112 N 0.39 -0.85 0.00 1.61 3.38 -1.53 -3.48 115.31 114.82 1nwd h LEU 112 Ca 0.38 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1nwd h LEU 112 Cb 0.57 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1nwd h LEU 112 CO -0.40 -0.60 0.00 0.61 0.09 0.00 0.00 178.44 178.13 1nwd n GLY 113 N -1.52 -0.09 3.56 0.83 0.00 -1.06 -5.12 105.19 101.78 1nwd n GLY 113 Ca -0.14 0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 1nwd n GLY 113 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nwd s GLU 114 N 0.00 2.46 -0.91 1.61 1.03 -1.18 -4.87 118.70 116.83 1nwd s GLU 114 Ca 0.00 1.31 -0.05 0.00 0.03 0.00 0.00 54.97 56.26 1nwd s GLU 114 Cb 0.00 -4.48 0.09 0.00 -0.80 0.00 0.00 34.13 28.94 1nwd s GLU 114 CO 0.00 -2.88 2.58 1.63 -1.33 0.00 0.00 175.26 175.27 1nwd n LYS 115 N 8.97 3.58 -2.94 -4.83 5.02 -1.26 -4.15 118.16 122.55 1nwd n LYS 115 Ca 0.31 -2.92 -0.33 0.00 -2.02 0.00 0.00 58.31 53.35 1nwd n LYS 115 Cb 0.52 -2.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.06 1nwd n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nwd s LEU 116 N -2.11 3.97 0.27 -0.35 1.43 -1.26 -5.02 118.68 115.62 1nwd s LEU 116 Ca 0.57 1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 54.85 1nwd s LEU 116 Cb 0.28 -4.31 -0.10 0.00 0.03 0.00 0.00 46.19 42.09 1nwd s LEU 116 CO -0.15 -0.31 1.32 0.42 0.23 0.00 0.00 176.35 177.86 1nwd s THR 117 N -2.13 2.91 0.46 5.49 -4.23 -1.26 -4.93 115.64 111.95 1nwd s THR 117 Ca 0.58 0.83 0.13 0.00 -1.18 0.00 0.00 61.69 62.05 1nwd s THR 117 Cb -0.10 -3.53 0.22 0.00 1.34 0.00 0.00 72.50 70.43 1nwd s THR 117 CO 0.17 0.16 2.04 -0.78 -0.54 0.00 0.00 174.62 175.67 1nwd h ASP 118 N 4.32 0.09 -0.65 3.99 3.58 -2.01 -2.91 116.42 122.83 1nwd h ASP 118 Ca -0.47 -0.01 0.17 0.00 0.42 0.00 0.00 57.03 57.14 1nwd h ASP 118 Cb 1.22 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 1nwd h ASP 118 CO 0.71 0.17 0.46 1.05 -2.88 0.00 0.00 179.24 178.75 1nwd h GLU 119 N 0.09 0.10 -0.54 0.28 4.11 -2.00 -0.75 114.58 115.87 1nwd h GLU 119 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 1nwd h GLU 119 Cb 0.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1nwd h GLU 119 CO 0.01 0.07 0.21 0.93 0.07 0.00 0.00 179.01 180.30 1nwd h GLU 120 N 0.10 0.81 0.08 1.06 4.39 -1.91 -2.05 114.58 117.07 1nwd h GLU 120 Ca 0.31 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.87 1nwd h GLU 120 Cb 1.09 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1nwd h GLU 120 CO -0.03 0.71 -0.14 0.28 -1.16 0.00 0.00 179.01 178.67 1nwd h VAL 121 N 0.74 0.67 -0.87 3.13 2.07 -1.31 -2.38 116.25 118.30 1nwd h VAL 121 Ca 0.18 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.79 1nwd h VAL 121 Cb 0.20 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1nwd h VAL 121 CO -0.01 0.00 0.52 -0.78 0.02 0.00 0.00 177.57 177.32 1nwd h ASP 122 N -0.28 0.78 0.11 0.57 3.58 -1.53 -3.24 116.42 116.41 1nwd h ASP 122 Ca 0.02 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.53 1nwd h ASP 122 Cb 0.29 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 1nwd h ASP 122 CO -0.08 0.46 -0.25 -0.08 -2.88 0.00 0.00 179.24 176.41 1nwd h GLU 123 N 0.89 -0.43 -0.85 0.28 4.22 -0.83 -2.46 114.58 115.41 1nwd h GLU 123 Ca 0.41 0.03 0.06 0.00 0.08 0.00 0.00 59.36 59.94 1nwd h GLU 123 Cb 0.32 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1nwd h GLU 123 CO -0.23 -0.29 0.52 0.52 -2.18 0.00 0.00 179.01 177.36 1nwd h MET 124 N -0.45 0.92 0.57 1.92 0.00 -1.55 -1.18 114.93 115.16 1nwd h MET 124 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 59.70 59.66 1nwd h MET 124 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 31.60 31.86 1nwd h MET 124 CO -0.15 0.61 -0.43 0.82 0.00 0.00 0.00 176.91 177.75 1nwd h ILE 125 N 0.94 0.13 0.00 -1.22 2.04 -1.58 -3.00 117.51 114.82 1nwd h ILE 125 Ca 0.37 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.22 1nwd h ILE 125 Cb 0.18 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1nwd h ILE 125 CO -0.18 0.00 -0.04 0.03 0.00 0.00 0.00 178.15 177.96 1nwd h ARG 126 N -0.98 0.00 -0.72 2.37 3.08 -0.96 -0.79 114.38 116.39 1nwd h ARG 126 Ca -0.07 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.06 1nwd h ARG 126 Cb 0.82 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.83 1nwd h ARG 126 CO 0.01 0.04 0.47 0.93 -1.07 0.00 0.00 179.97 180.35 1nwd h GLU 127 N 0.00 0.68 -1.22 0.04 5.08 -1.08 -3.35 114.58 114.73 1nwd h GLU 127 Ca -0.00 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 57.98 1nwd h GLU 127 Cb 0.12 -0.15 -0.24 0.00 0.50 0.00 0.00 28.75 28.97 1nwd h GLU 127 CO 0.01 0.45 -0.71 0.00 -1.00 0.00 0.00 179.01 177.76 1nwd n ALA 128 N -2.46 0.06 -3.49 3.43 0.00 -0.68 -5.07 120.51 112.30 1nwd n ALA 128 Ca 0.11 -2.00 -0.42 0.00 0.00 0.00 0.00 53.44 51.12 1nwd n ALA 128 Cb 0.26 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.34 5.98 -0.02 0.00 -1.08 -0.39 -4.68 116.67 116.15 1nwd s ASP 129 Ca 0.32 -2.29 -0.25 0.00 -0.52 0.00 0.00 52.55 49.81 1nwd s ASP 129 Cb 0.10 -2.07 -0.19 0.00 -1.46 0.00 0.00 42.92 39.30 1nwd s ASP 129 CO -0.15 -0.63 1.21 0.40 0.52 0.00 0.00 175.17 176.53 1nwd h ILE 130 N 5.56 1.15 0.45 4.11 1.08 -1.95 -3.35 117.51 124.56 1nwd h ILE 130 Ca -0.10 -0.99 -0.02 0.00 -0.39 0.00 0.00 64.86 63.35 1nwd h ILE 130 Cb 1.05 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 1nwd h ILE 130 CO 0.83 0.24 -0.22 0.44 -0.69 0.00 0.00 178.15 178.75 1nwd h ASP 131 N -0.59 -0.51 -2.86 1.72 5.19 -1.94 -3.49 116.42 113.93 1nwd h ASP 131 Ca -0.01 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1nwd h ASP 131 Cb 0.48 0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1nwd h ASP 131 CO 0.02 -0.22 0.00 0.61 -3.12 0.00 0.00 179.24 176.53 1nwd n GLY 132 N -0.77 0.02 0.93 2.75 0.00 -1.26 -5.04 105.19 101.83 1nwd n GLY 132 Ca -0.11 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 1nwd n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nwd n ASP 133 N -1.06 0.09 -1.43 1.61 5.68 -1.26 -5.03 116.55 115.15 1nwd n ASP 133 Ca 0.00 -1.81 -0.15 0.00 -0.50 0.00 0.00 54.79 52.33 1nwd n ASP 133 Cb 0.48 -0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 40.34 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 0.16 0.71 0.66 6.12 0.00 -1.26 -5.00 105.19 106.59 1nwd n GLY 134 Ca -0.04 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 1nwd n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nwd n GLN 135 N -2.51 0.32 -3.67 1.61 6.02 -1.26 -3.94 117.38 113.94 1nwd n GLN 135 Ca -0.16 -0.69 -0.24 0.00 -0.01 0.00 0.00 57.00 55.90 1nwd n GLN 135 Cb 0.56 0.50 -0.17 0.00 1.02 0.00 0.00 30.24 32.15 1nwd n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1nwd s VAL 136 N -2.15 0.05 1.03 5.09 1.01 -0.69 -4.87 120.40 119.88 1nwd s VAL 136 Ca 0.07 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 1nwd s VAL 136 Cb 0.00 -0.52 0.23 0.00 0.00 0.00 0.00 36.38 36.10 1nwd s VAL 136 CO 0.05 -0.07 1.32 0.20 0.00 0.00 0.00 175.10 176.59 1nwd s ASN 137 N 2.09 2.54 0.04 3.32 0.01 -1.26 -1.47 114.94 120.20 1nwd s ASN 137 Ca 0.03 0.22 -0.24 0.00 -0.71 0.00 0.00 52.86 52.16 1nwd s ASN 137 Cb -0.15 -0.20 -0.13 0.00 0.41 0.00 0.00 41.25 41.18 1nwd s ASN 137 CO -0.07 -3.09 1.36 1.88 -1.51 0.00 0.00 177.10 175.67 1nwd h TYR 138 N -1.89 -0.79 -0.63 2.20 -1.99 -1.98 -0.08 116.97 111.80 1nwd h TYR 138 Ca -0.44 -0.02 0.13 0.00 2.00 0.00 0.00 58.73 60.40 1nwd h TYR 138 Cb 1.23 0.26 -0.10 0.00 2.00 0.00 0.00 36.73 40.12 1nwd h TYR 138 CO -1.60 -0.49 0.09 0.93 -0.00 0.00 0.00 178.16 177.09 1nwd h GLU 139 N -0.85 0.20 0.29 4.88 5.08 -1.97 -2.11 114.58 120.09 1nwd h GLU 139 Ca -0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1nwd h GLU 139 Cb 0.65 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1nwd h GLU 139 CO 0.14 0.13 -0.17 1.49 -1.00 0.00 0.00 179.01 179.60 1nwd h GLU 140 N 0.21 -0.43 -0.18 2.33 4.81 -1.94 -2.72 114.58 116.66 1nwd h GLU 140 Ca 0.34 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.65 1nwd h GLU 140 Cb 0.54 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.95 1nwd h GLU 140 CO -0.47 -0.28 -0.28 0.35 -0.73 0.00 0.00 179.01 177.59 1nwd h PHE 141 N -0.44 -0.77 -0.11 0.92 3.57 -0.36 0.56 116.94 120.31 1nwd h PHE 141 Ca -0.03 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.55 1nwd h PHE 141 Cb 0.37 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.43 1nwd h PHE 141 CO -0.09 -0.36 -0.15 0.28 -2.23 0.00 0.00 178.31 175.76 1nwd h VAL 142 N -0.33 0.61 0.00 1.41 2.07 -1.49 -2.98 116.25 115.54 1nwd h VAL 142 Ca 0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1nwd h VAL 142 Cb 0.51 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1nwd h VAL 142 CO -0.37 0.00 -0.10 -0.61 0.02 0.00 0.00 177.57 176.51 1nwd h GLN 143 N -0.19 0.00 0.33 1.57 4.15 -1.05 0.03 115.11 119.95 1nwd h GLN 143 Ca 0.09 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1nwd h GLN 143 Cb 0.32 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 1nwd h GLN 143 CO -0.22 0.10 -0.30 0.52 -1.93 0.00 0.00 178.83 177.00 1nwd h MET 144 N 0.00 -0.62 -0.07 1.69 2.86 -0.75 -2.34 114.93 115.70 1nwd h MET 144 Ca -0.00 0.04 -0.24 0.00 -2.06 0.00 0.00 59.70 57.45 1nwd h MET 144 Cb 0.57 0.14 0.02 0.00 0.06 0.00 0.00 31.60 32.39 1nwd h MET 144 CO 0.01 -0.42 -0.88 0.52 1.06 0.00 0.00 176.91 177.21 1nwd h MET 145 N -0.65 0.72 -2.24 1.72 2.86 -1.57 -3.33 114.93 112.44 1nwd h MET 145 Ca -0.02 -0.68 -0.75 0.00 -2.06 0.00 0.00 59.70 56.19 1nwd h MET 145 Cb 0.58 0.17 -0.31 0.00 0.06 0.00 0.00 31.60 32.10 1nwd h MET 145 CO -0.04 1.27 0.56 2.41 1.06 0.00 0.00 176.91 182.17 1nwd n THR 146 N -3.93 5.17 -2.53 2.22 -1.04 -0.02 -5.00 114.28 109.15 1nwd n THR 146 Ca -0.09 -5.81 -0.40 0.00 -2.04 0.00 0.00 64.05 55.70 1nwd n THR 146 Cb 0.80 -1.50 -0.03 0.00 -1.82 0.00 0.00 70.33 67.78 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 -4.09 2.68 0.00 2.41 0.00 -0.88 -4.51 121.76 117.37 1nwd s ALA 147 Ca 0.42 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1nwd s ALA 147 Cb 0.23 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.91 1nwd s ALA 147 CO -0.14 -3.55 0.49 1.63 0.00 0.00 0.00 175.76 174.19