#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djw s ILE 2 N 0.00 3.05 0.31 1.12 1.01 0.93 -4.92 121.20 122.69 2djw s ILE 2 Ca 0.00 -0.73 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 2djw s ILE 2 Cb 0.00 -2.43 -0.10 0.00 0.01 0.00 0.00 42.46 39.94 2djw s ILE 2 CO 0.00 0.35 0.91 -0.89 0.00 0.00 0.00 174.94 175.32 2djw s THR 3 N 1.40 4.27 -0.02 2.92 2.01 -1.26 0.14 115.64 125.10 2djw s THR 3 Ca 0.04 1.74 -0.04 0.00 0.31 0.00 0.00 61.69 63.74 2djw s THR 3 Cb -0.15 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2djw s THR 3 CO -0.05 0.14 0.09 0.00 -0.69 0.00 0.00 174.62 174.11 2djw s ALA 4 N -1.62 -0.20 -0.34 7.40 0.00 -0.33 -1.86 121.76 124.81 2djw s ALA 4 Ca 0.49 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 2djw s ALA 4 Cb -0.18 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.89 2djw s ALA 4 CO 0.23 -0.09 0.17 -0.06 0.00 0.00 0.00 175.76 176.01 2djw s PHE 5 N -0.45 3.21 -0.25 0.00 0.08 -0.28 -0.69 117.98 119.60 2djw s PHE 5 Ca -0.05 -0.77 -0.09 0.00 0.12 0.00 0.00 56.93 56.14 2djw s PHE 5 Cb -0.03 -2.38 -0.04 0.00 -0.57 0.00 0.00 43.02 39.99 2djw s PHE 5 CO 0.00 -0.55 0.11 0.08 -0.10 0.00 0.00 175.22 174.77 2djw s VAL 6 N 1.58 4.76 -0.16 -0.44 1.01 0.18 0.04 120.40 127.37 2djw s VAL 6 Ca 0.03 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.87 2djw s VAL 6 Cb -0.18 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 2djw s VAL 6 CO 0.06 0.32 0.24 -0.76 0.00 0.00 0.00 175.10 174.97 2djw s LEU 7 N 1.48 4.26 -0.09 3.92 1.02 -0.79 -0.30 118.68 128.18 2djw s LEU 7 Ca 0.06 0.46 0.02 0.00 0.02 0.00 0.00 54.13 54.69 2djw s LEU 7 Cb -0.15 -2.28 0.01 0.00 0.02 0.00 0.00 46.19 43.79 2djw s LEU 7 CO 0.06 0.17 -0.16 -0.63 0.02 0.00 0.00 176.35 175.80 2djw s ILE 8 N 0.18 1.50 -0.54 -0.59 1.09 -0.05 -0.97 121.20 121.82 2djw s ILE 8 Ca 0.15 -0.67 -0.09 0.00 -1.10 0.00 0.00 60.65 58.93 2djw s ILE 8 Cb -0.13 -1.35 0.14 0.00 -1.06 0.00 0.00 42.46 40.07 2djw s ILE 8 CO 0.03 0.44 0.42 -0.60 -0.10 0.00 0.00 174.94 175.13 2djw s ARG 9 N 0.72 2.66 0.45 2.79 3.52 0.64 -1.93 118.95 127.80 2djw s ARG 9 Ca -0.12 -1.97 -0.03 0.00 -0.13 0.00 0.00 55.73 53.47 2djw s ARG 9 Cb -0.16 -3.98 -0.03 0.00 -1.56 0.00 0.00 34.95 29.22 2djw s ARG 9 CO 0.03 -1.21 0.72 -1.25 -0.81 0.00 0.00 175.30 172.77 2djw s PRO 10 N 0.99 3.48 0.41 5.12 0.04 -1.26 -1.37 135.00 142.41 2djw s PRO 10 Ca 0.09 0.01 -0.24 0.00 0.04 0.00 0.00 61.00 60.90 2djw s PRO 10 Cb -0.23 -2.46 -0.11 0.00 0.04 0.00 0.00 34.50 31.73 2djw s PRO 10 CO -0.02 -0.12 0.90 -2.13 0.04 0.00 0.00 177.00 175.66 2djw n ARG 11 N -2.13 1.14 -0.21 4.56 0.63 0.21 -4.82 116.66 116.04 2djw n ARG 11 Ca -0.01 0.41 -0.09 0.00 -0.92 0.00 0.00 57.85 57.24 2djw n ARG 11 Cb 0.56 -1.89 -0.04 0.00 0.45 0.00 0.00 32.46 31.54 2djw n ARG 11 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2djw h GLY 12 N 1.37 -0.51 -1.93 5.14 0.00 -1.97 -1.81 103.07 103.37 2djw h GLY 12 Ca -0.43 0.58 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 2djw h GLY 12 CO 0.56 -0.15 0.06 1.16 0.00 0.00 0.00 176.54 178.17 2djw n ASN 13 N -5.40 2.53 0.00 0.19 6.94 -1.26 -3.10 115.26 115.16 2djw n ASN 13 Ca 0.01 -2.23 0.00 0.00 -0.02 0.00 0.00 54.58 52.34 2djw n ASN 13 Cb 0.35 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 2djw n ASN 13 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2djw n ARG 14 N 0.16 -0.05 0.21 -3.83 5.12 -0.68 -4.84 116.66 112.75 2djw n ARG 14 Ca 0.08 -0.36 -0.16 0.00 -1.93 0.00 0.00 57.85 55.49 2djw n ARG 14 Cb 0.57 -0.70 -0.08 0.00 -1.16 0.00 0.00 32.46 31.09 2djw n ARG 14 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2djw h VAL 15 N 0.85 0.23 0.02 1.55 2.07 -1.54 -0.52 116.25 118.91 2djw h VAL 15 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2djw h VAL 15 Cb 0.41 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2djw h VAL 15 CO 0.00 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.14 2djw h GLN 16 N -0.75 -0.02 -0.75 1.57 4.20 -1.88 -0.29 115.11 117.19 2djw h GLN 16 Ca -0.02 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.85 2djw h GLN 16 Cb 0.69 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.36 2djw h GLN 16 CO -0.09 0.06 0.21 0.00 -0.67 0.00 0.00 178.83 178.34 2djw h ALA 17 N 0.88 1.00 0.19 3.87 0.00 -1.87 -1.66 119.26 121.66 2djw h ALA 17 Ca -0.00 0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 2djw h ALA 17 Cb 0.10 0.21 0.02 0.00 0.00 0.00 0.00 17.79 18.11 2djw h ALA 17 CO 0.00 -0.32 -1.37 -0.07 0.00 0.00 0.00 179.25 177.49 2djw h LEU 18 N 0.30 0.63 -0.52 0.00 3.38 -0.89 -1.19 115.31 117.02 2djw h LEU 18 Ca 0.43 -0.68 0.09 0.00 0.09 0.00 0.00 57.88 57.81 2djw h LEU 18 Cb 0.72 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 2djw h LEU 18 CO -0.50 1.53 0.10 1.23 0.09 0.00 0.00 178.44 180.89 2djw h GLY 19 N 0.90 0.63 1.38 0.83 0.00 -0.86 0.13 103.07 106.09 2djw h GLY 19 Ca -0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 46.97 2djw h GLY 19 CO 0.24 -0.08 -0.41 0.83 0.00 0.00 0.00 176.54 177.12 2djw h GLU 20 N 0.23 0.68 -0.37 4.80 5.08 -1.32 -2.15 114.58 121.53 2djw h GLU 20 Ca 0.26 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2djw h GLU 20 Cb 0.36 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2djw h GLU 20 CO -0.35 0.96 0.20 0.00 -1.00 0.00 0.00 179.01 178.82 2djw h ALA 21 N 0.99 0.47 -0.20 3.43 0.00 -0.69 -3.17 119.26 120.09 2djw h ALA 21 Ca 0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2djw h ALA 21 Cb 0.94 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2djw h ALA 21 CO 0.08 -0.01 -0.24 0.82 0.00 0.00 0.00 179.25 179.91 2djw h ILE 22 N 0.47 1.25 0.00 0.00 1.08 -0.62 -2.82 117.51 116.87 2djw h ILE 22 Ca 0.13 -1.18 -0.03 0.00 -0.39 0.00 0.00 64.86 63.39 2djw h ILE 22 Cb 0.05 1.37 -0.00 0.00 -3.07 0.00 0.00 36.82 35.16 2djw h ILE 22 CO -0.02 0.37 -0.14 0.00 -0.69 0.00 0.00 178.15 177.67 2djw h ALA 23 N 1.42 1.42 -0.14 1.87 0.00 -1.36 -2.96 119.26 119.51 2djw h ALA 23 Ca 0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2djw h ALA 23 Cb 0.61 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2djw h ALA 23 CO 0.04 0.17 0.00 0.93 0.00 0.00 0.00 179.25 180.40 2djw h GLU 24 N 0.00 0.24 -6.13 0.00 4.39 -1.53 -3.46 114.58 108.09 2djw h GLU 24 Ca -0.00 -0.08 -0.72 0.00 0.34 0.00 0.00 59.36 58.90 2djw h GLU 24 Cb 0.32 -0.02 0.06 0.00 -0.10 0.00 0.00 28.75 29.01 2djw h GLU 24 CO 0.02 0.47 0.12 1.28 -1.16 0.00 0.00 179.01 179.74 2djw n LEU 25 N -4.77 0.53 0.14 1.33 4.77 -1.12 -4.85 117.00 113.02 2djw n LEU 25 Ca -0.05 1.14 0.04 0.00 -0.03 0.00 0.00 56.01 57.11 2djw n LEU 25 Cb 0.21 -1.05 0.47 0.00 -2.33 0.00 0.00 43.42 40.72 2djw n LEU 25 CO 0.36 -1.73 0.99 -0.65 -1.33 0.00 0.00 177.39 175.03 2djw h PRO 26 N 3.17 0.20 0.00 3.23 0.11 -1.89 -2.71 132.00 134.11 2djw h PRO 26 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 2djw h PRO 26 Cb 1.39 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 2djw h PRO 26 CO 0.68 0.26 -0.44 1.96 -0.21 0.00 0.00 178.00 180.25 2djw h GLN 27 N 0.20 0.00 -6.24 1.05 7.50 -1.89 -3.45 115.11 112.28 2djw h GLN 27 Ca 0.05 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.64 2djw h GLN 27 Cb 0.20 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.70 2djw h GLN 27 CO 0.01 0.30 1.06 0.08 -1.50 0.00 0.00 178.83 178.78 2djw s VAL 28 N -3.06 3.78 -0.15 -0.54 1.01 -1.02 -0.64 120.40 119.79 2djw s VAL 28 Ca 0.04 0.93 -0.08 0.00 0.00 0.00 0.00 61.98 62.87 2djw s VAL 28 Cb 0.07 -3.66 -0.24 0.00 0.00 0.00 0.00 36.38 32.54 2djw s VAL 28 CO 0.73 -0.15 0.27 0.00 0.00 0.00 0.00 175.10 175.95 2djw n ALA 29 N 7.43 0.93 -2.96 5.51 0.00 0.14 -4.94 120.51 126.63 2djw n ALA 29 Ca 0.17 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.87 2djw n ALA 29 Cb 0.44 -0.59 -0.10 0.00 0.00 0.00 0.00 19.45 19.19 2djw n ALA 29 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2djw s GLU 30 N -2.53 0.42 -0.19 0.00 2.02 -1.09 -5.02 118.70 112.31 2djw s GLU 30 Ca -0.25 -0.58 -0.15 0.00 0.02 0.00 0.00 54.97 54.01 2djw s GLU 30 Cb 0.07 0.16 0.05 0.00 0.10 0.00 0.00 34.13 34.51 2djw s GLU 30 CO 0.73 -0.09 0.49 0.54 0.02 0.00 0.00 175.26 176.95 2djw s VAL 31 N -1.67 -0.01 0.10 2.63 0.11 -1.26 0.32 120.40 120.63 2djw s VAL 31 Ca -0.13 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2djw s VAL 31 Cb -0.07 -0.70 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2djw s VAL 31 CO -0.01 0.01 -0.08 -0.31 -3.33 0.00 0.00 175.10 171.39 2djw s TYR 32 N 0.70 0.96 -0.13 1.54 2.02 -0.72 -4.99 117.35 116.74 2djw s TYR 32 Ca -0.04 -0.84 -0.19 0.00 -0.37 0.00 0.00 57.07 55.64 2djw s TYR 32 Cb -0.05 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.93 2djw s TYR 32 CO -0.05 -0.09 0.50 0.45 -1.57 0.00 0.00 175.55 174.79 2djw s SER 33 N -2.93 6.68 0.14 2.29 0.15 -1.26 -1.98 113.70 116.79 2djw s SER 33 Ca 0.11 0.81 0.06 0.00 0.70 0.00 0.00 55.95 57.62 2djw s SER 33 Cb 0.03 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2djw s SER 33 CO -0.03 -0.04 -0.12 0.68 1.20 0.00 0.00 173.24 174.92 2djw s VAL 34 N 0.83 1.31 0.82 4.45 -7.23 -0.33 -5.00 120.40 115.25 2djw s VAL 34 Ca 0.26 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.42 2djw s VAL 34 Cb -0.15 -1.70 0.08 0.00 0.56 0.00 0.00 36.38 35.17 2djw s VAL 34 CO 0.11 -0.56 1.09 0.42 -0.31 0.00 0.00 175.10 175.85 2djw s THR 35 N -2.68 3.06 0.00 5.32 -4.23 -1.26 -4.62 115.64 111.22 2djw s THR 35 Ca 0.13 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 2djw s THR 35 Cb -0.02 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.03 2djw s THR 35 CO 0.03 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 2djw n GLY 36 N -1.08 0.01 0.04 3.99 0.00 -1.26 -4.67 105.19 102.22 2djw n GLY 36 Ca 0.09 -2.03 0.11 0.00 0.00 0.00 0.00 46.02 44.19 2djw n GLY 36 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djw n PRO 37 N 0.00 0.25 -4.08 1.61 -0.04 -1.26 -4.79 135.00 126.69 2djw n PRO 37 Ca 0.00 0.02 -0.32 0.00 -0.04 0.00 0.00 63.50 63.16 2djw n PRO 37 Cb 0.00 -1.61 -0.16 0.00 -0.04 0.00 0.00 33.50 31.69 2djw n PRO 37 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2djw s TYR 38 N -3.16 2.57 0.32 0.54 2.02 -1.26 -4.85 117.35 113.52 2djw s TYR 38 Ca 0.05 -1.52 0.05 0.00 -0.37 0.00 0.00 57.07 55.29 2djw s TYR 38 Cb 0.14 -1.80 0.55 0.00 -0.40 0.00 0.00 41.96 40.45 2djw s TYR 38 CO 0.77 -0.76 1.80 -0.44 -1.57 0.00 0.00 175.55 175.35 2djw h ASP 39 N 7.98 0.40 -4.06 2.29 3.32 -1.64 -3.42 116.42 121.28 2djw h ASP 39 Ca -0.42 -0.11 -0.68 0.00 0.02 0.00 0.00 57.03 55.84 2djw h ASP 39 Cb 1.13 -0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.34 2djw h ASP 39 CO 0.59 0.60 -0.87 -0.76 -1.72 0.00 0.00 179.24 177.08 2djw s LEU 40 N -8.75 2.27 -0.11 1.55 1.43 -0.94 -1.19 118.68 112.94 2djw s LEU 40 Ca -0.06 -0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2djw s LEU 40 Cb 0.15 -1.20 0.04 0.00 0.03 0.00 0.00 46.19 45.20 2djw s LEU 40 CO 0.77 0.19 0.04 -0.69 0.23 0.00 0.00 176.35 176.89 2djw s VAL 41 N -0.98 0.24 -0.19 -1.59 1.01 -0.84 -0.87 120.40 117.18 2djw s VAL 41 Ca 0.13 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.93 2djw s VAL 41 Cb -0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2djw s VAL 41 CO 0.05 0.03 0.28 0.00 0.00 0.00 0.00 175.10 175.46 2djw s ALA 42 N 2.01 3.59 -0.32 5.51 0.00 0.59 -1.76 121.76 131.39 2djw s ALA 42 Ca 0.03 -0.59 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 2djw s ALA 42 Cb -0.14 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.56 2djw s ALA 42 CO -0.06 -0.07 0.83 -1.17 0.00 0.00 0.00 175.76 175.28 2djw s LEU 43 N 0.82 4.07 -0.06 0.00 2.96 0.15 -0.64 118.68 125.98 2djw s LEU 43 Ca 0.14 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 2djw s LEU 43 Cb -0.13 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 2djw s LEU 43 CO 0.04 -0.68 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.58 2djw s VAL 44 N 3.09 3.14 -0.06 1.68 1.01 0.14 -0.68 120.40 128.72 2djw s VAL 44 Ca 0.34 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2djw s VAL 44 Cb -0.14 -2.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 2djw s VAL 44 CO 0.14 0.58 -0.15 -0.13 0.00 0.00 0.00 175.10 175.54 2djw s ARG 45 N -0.57 2.64 -0.00 2.72 1.81 0.19 -1.19 118.95 124.54 2djw s ARG 45 Ca 0.08 -0.71 0.03 0.00 -1.72 0.00 0.00 55.73 53.41 2djw s ARG 45 Cb -0.11 -2.40 -0.01 0.00 -0.45 0.00 0.00 34.95 31.98 2djw s ARG 45 CO 0.01 0.54 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.57 2djw s LEU 46 N -0.52 2.04 0.06 2.53 1.43 0.12 -4.64 118.68 119.70 2djw s LEU 46 Ca 0.07 -0.20 -0.37 0.00 -1.03 0.00 0.00 54.13 52.60 2djw s LEU 46 Cb -0.12 -0.47 -0.20 0.00 0.03 0.00 0.00 46.19 45.43 2djw s LEU 46 CO 0.01 0.10 1.55 0.50 0.23 0.00 0.00 176.35 178.74 2djw h LYS 47 N 5.80 -1.26 -3.75 1.70 1.63 -1.96 0.26 116.57 118.98 2djw h LYS 47 Ca -0.31 0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.48 2djw h LYS 47 Cb 1.18 0.29 -0.15 0.00 -0.60 0.00 0.00 32.23 32.95 2djw h LYS 47 CO 0.49 -0.84 -0.39 0.16 -3.45 0.00 0.00 179.45 175.41 2djw s ASP 48 N -3.92 0.11 0.56 4.20 1.47 -1.26 -4.46 116.67 113.37 2djw s ASP 48 Ca -0.19 -0.58 0.36 0.00 1.18 0.00 0.00 52.55 53.32 2djw s ASP 48 Cb 0.02 0.32 1.51 0.00 -0.34 0.00 0.00 42.92 44.43 2djw s ASP 48 CO 0.58 -0.67 1.75 -0.37 0.68 0.00 0.00 175.17 177.14 2djw h VAL 49 N 2.99 0.33 -0.66 2.11 -1.51 -1.95 0.41 116.25 117.97 2djw h VAL 49 Ca -0.33 0.00 0.11 0.00 -1.23 0.00 0.00 66.70 65.25 2djw h VAL 49 Cb 1.19 0.36 -0.04 0.00 -2.13 0.00 0.00 31.29 30.67 2djw h VAL 49 CO 0.54 0.00 0.44 -0.33 -1.23 0.00 0.00 177.57 176.99 2djw h GLU 50 N 0.00 0.44 0.00 5.19 3.07 -2.01 -1.83 114.58 119.44 2djw h GLU 50 Ca 0.55 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 2djw h GLU 50 Cb 2.33 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 30.15 2djw h GLU 50 CO -0.01 0.29 0.00 1.49 -1.40 0.00 0.00 179.01 179.38 2djw h GLU 51 N 0.45 0.00 0.00 2.33 4.81 -0.58 -2.52 114.58 119.07 2djw h GLU 51 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2djw h GLU 51 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2djw h GLU 51 CO -0.09 0.00 0.00 1.25 -0.73 0.00 0.00 179.01 179.44 2djw h LEU 52 N 0.00 0.00 -0.81 1.64 6.46 -1.46 -0.78 115.31 120.36 2djw h LEU 52 Ca 0.00 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.64 2djw h LEU 52 Cb 0.38 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 2djw h LEU 52 CO 0.00 0.00 -0.47 -0.78 -0.62 0.00 0.00 178.44 176.57 2djw h ASP 53 N 0.00 0.31 0.50 1.25 3.58 -1.63 -1.39 116.42 119.05 2djw h ASP 53 Ca 0.00 -0.15 -0.28 0.00 0.42 0.00 0.00 57.03 57.03 2djw h ASP 53 Cb 0.27 -0.09 0.01 0.00 1.72 0.00 0.00 39.33 41.24 2djw h ASP 53 CO 0.00 0.74 -1.23 -0.78 -2.88 0.00 0.00 179.24 175.09 2djw h ASP 54 N 0.24 0.54 0.27 2.28 1.82 -1.33 -1.93 116.42 118.31 2djw h ASP 54 Ca 0.01 -0.54 -0.34 0.00 -0.39 0.00 0.00 57.03 55.77 2djw h ASP 54 Cb 0.92 -0.17 0.04 0.00 0.68 0.00 0.00 39.33 40.80 2djw h ASP 54 CO 0.08 1.40 -1.48 1.62 -1.61 0.00 0.00 179.24 179.25 2djw h VAL 55 N 0.12 1.29 0.00 2.25 3.04 -1.53 0.23 116.25 121.66 2djw h VAL 55 Ca -0.15 -2.71 -0.01 0.00 -1.01 0.00 0.00 66.70 62.82 2djw h VAL 55 Cb 1.93 3.04 -0.00 0.00 -2.01 0.00 0.00 31.29 34.25 2djw h VAL 55 CO 0.21 0.81 -0.66 0.52 -1.01 0.00 0.00 177.57 177.45 2djw n VAL 56 N -3.71 1.44 -0.03 1.51 0.31 -0.52 0.15 118.33 117.47 2djw n VAL 56 Ca -0.17 0.19 -0.15 0.00 -0.01 0.00 0.00 64.34 64.21 2djw n VAL 56 Cb 1.10 -2.37 -0.09 0.00 -0.91 0.00 0.00 33.84 31.57 2djw n VAL 56 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2djw h THR 57 N -1.00 1.42 0.03 2.52 2.02 -1.64 0.23 112.91 116.49 2djw h THR 57 Ca -0.01 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.48 2djw h THR 57 Cb 0.65 2.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2djw h THR 57 CO -0.01 0.49 -0.01 1.56 0.37 0.00 0.00 175.52 177.91 2djw h GLN 58 N -0.14 -0.04 0.52 6.66 7.50 -1.50 -3.27 115.11 124.85 2djw h GLN 58 Ca -0.02 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 59.11 2djw h GLN 58 Cb 0.94 0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.49 2djw h GLN 58 CO 0.06 -0.02 -0.25 0.78 -1.50 0.00 0.00 178.83 177.90 2djw h GLY 59 N -0.94 -0.74 0.00 3.46 0.00 -0.49 -3.29 103.07 101.07 2djw h GLY 59 Ca -0.00 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 2djw h GLY 59 CO 0.01 -0.27 -0.00 -2.22 0.00 0.00 0.00 176.54 174.06 2djw h ILE 60 N -0.74 1.68 0.00 2.60 2.04 0.02 -3.39 117.51 119.72 2djw h ILE 60 Ca -0.07 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.53 2djw h ILE 60 Cb 0.54 3.17 0.00 0.00 -0.74 0.00 0.00 36.82 39.79 2djw h ILE 60 CO 0.12 0.57 0.00 -0.07 0.00 0.00 0.00 178.15 178.77 2djw h LEU 61 N -1.00 0.00 -1.27 1.44 3.38 -0.66 -2.81 115.31 114.39 2djw h LEU 61 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2djw h LEU 61 Cb 0.93 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2djw h LEU 61 CO 0.00 0.00 -0.20 0.77 0.09 0.00 0.00 178.44 179.10 2djw h SER 62 N 0.00 0.00 -3.86 -0.43 4.64 -1.63 -3.46 113.55 108.81 2djw h SER 62 Ca 0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 2djw h SER 62 Cb 0.61 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2djw h SER 62 CO 0.00 0.20 0.43 -0.76 -0.87 0.00 0.00 176.83 175.83 2djw s LEU 63 N -6.83 4.40 0.38 5.97 1.43 -1.06 -5.01 118.68 117.96 2djw s LEU 63 Ca -0.00 2.13 -0.27 0.00 -1.03 0.00 0.00 54.13 54.96 2djw s LEU 63 Cb 0.11 -3.85 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 2djw s LEU 63 CO 0.62 -0.24 1.40 -0.70 0.23 0.00 0.00 176.35 177.66 2djw s GLU 64 N -1.84 4.07 0.00 1.70 2.56 -1.26 -3.54 118.70 120.38 2djw s GLU 64 Ca 0.49 2.39 0.00 0.00 0.00 0.00 0.00 54.97 57.85 2djw s GLU 64 Cb -0.27 -2.90 0.00 0.00 2.00 0.00 0.00 34.13 32.96 2djw s GLU 64 CO 0.34 -0.49 0.00 0.41 -0.56 0.00 0.00 175.26 174.96 2djw n GLY 65 N 0.59 1.39 3.58 -1.50 0.00 -1.26 -4.97 105.19 103.02 2djw n GLY 65 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2djw n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2djw s VAL 66 N -3.06 3.90 -0.08 1.61 1.01 -1.23 0.65 120.40 123.20 2djw s VAL 66 Ca 0.00 0.80 -0.04 0.00 0.00 0.00 0.00 61.98 62.74 2djw s VAL 66 Cb 0.00 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2djw s VAL 66 CO 0.00 -1.24 0.15 -0.33 0.00 0.00 0.00 175.10 173.67 2djw h GLU 67 N 10.28 -0.12 -5.79 2.72 5.08 -1.54 -3.48 114.58 121.73 2djw h GLU 67 Ca -0.26 0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.58 2djw h GLU 67 Cb 1.07 0.03 -0.25 0.00 0.50 0.00 0.00 28.75 30.10 2djw h GLU 67 CO 1.18 -0.08 -0.82 1.03 -1.00 0.00 0.00 179.01 179.32 2djw s ARG 68 N -1.95 1.20 0.33 2.33 1.81 -1.01 -5.00 118.95 116.65 2djw s ARG 68 Ca -0.02 -0.88 0.09 0.00 -1.72 0.00 0.00 55.73 53.21 2djw s ARG 68 Cb 0.00 -1.28 -0.05 0.00 -0.45 0.00 0.00 34.95 33.17 2djw s ARG 68 CO 0.06 0.32 -0.00 -0.08 -0.68 0.00 0.00 175.30 174.92 2djw s THR 69 N -0.83 2.69 -0.30 0.02 -1.32 -1.26 -0.26 115.64 114.39 2djw s THR 69 Ca 0.05 -1.99 -0.01 0.00 -1.21 0.00 0.00 61.69 58.53 2djw s THR 69 Cb -0.08 -2.77 0.19 0.00 -1.51 0.00 0.00 72.50 68.32 2djw s THR 69 CO 0.02 -0.23 0.67 -0.70 -2.21 0.00 0.00 174.62 172.17 2djw s GLU 70 N -3.70 0.50 -0.24 7.08 2.12 -0.15 -4.97 118.70 119.35 2djw s GLU 70 Ca 0.34 0.78 -0.17 0.00 0.36 0.00 0.00 54.97 56.28 2djw s GLU 70 Cb -0.01 0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 2djw s GLU 70 CO 0.19 -0.66 0.45 0.99 -0.54 0.00 0.00 175.26 175.70 2djw s THR 71 N 2.87 5.13 -0.90 -1.70 2.01 -1.26 -1.89 115.64 119.89 2djw s THR 71 Ca 0.16 0.77 -0.12 0.00 0.31 0.00 0.00 61.69 62.81 2djw s THR 71 Cb -0.13 -3.77 0.23 0.00 0.01 0.00 0.00 72.50 68.85 2djw s THR 71 CO -0.21 0.16 0.85 -0.76 -0.69 0.00 0.00 174.62 173.97 2djw s LEU 72 N 1.92 6.55 0.21 4.42 1.02 0.11 -4.97 118.68 127.92 2djw s LEU 72 Ca 0.19 -2.99 -0.30 0.00 0.02 0.00 0.00 54.13 51.06 2djw s LEU 72 Cb -0.15 -2.19 -0.08 0.00 0.02 0.00 0.00 46.19 43.79 2djw s LEU 72 CO 0.09 -0.47 1.04 -0.22 0.02 0.00 0.00 176.35 176.81 2djw s LEU 73 N -0.30 4.54 -0.18 1.79 0.20 -1.26 -1.13 118.68 122.34 2djw s LEU 73 Ca 0.22 2.06 -0.13 0.00 0.69 0.00 0.00 54.13 56.97 2djw s LEU 73 Cb -0.10 -3.61 -0.05 0.00 -0.43 0.00 0.00 46.19 42.00 2djw s LEU 73 CO -0.09 -0.09 0.25 0.00 -0.29 0.00 0.00 176.35 176.13 2djw s ALA 74 N -0.63 3.61 -0.05 5.97 0.00 -0.78 -4.97 121.76 124.92 2djw s ALA 74 Ca 0.46 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.94 2djw s ALA 74 Cb -0.28 -2.35 -0.11 0.00 0.00 0.00 0.00 23.12 20.38 2djw s ALA 74 CO 0.35 0.06 0.18 1.97 0.00 0.00 0.00 175.76 178.32 2djw n PHE 75 N 3.68 0.00 -4.18 0.00 1.16 -1.26 -4.53 117.46 112.33 2djw n PHE 75 Ca -0.13 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.27 2djw n PHE 75 Cb 0.52 -0.14 -0.16 0.00 -1.61 0.00 0.00 39.48 38.09 2djw n PHE 75 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 2djw s ARG 76 N -2.39 0.66 0.06 3.97 3.00 -1.26 -5.15 118.95 117.84 2djw s ARG 76 Ca -0.02 -0.15 0.02 0.00 -1.00 0.00 0.00 55.73 54.58 2djw s ARG 76 Cb 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 34.95 34.29 2djw s ARG 76 CO 0.30 0.01 0.09 0.00 0.00 0.00 0.00 175.30 175.70 2djw s ALA 77 N 0.46 3.61 -0.53 6.12 0.00 -1.26 -5.08 121.76 125.08 2djw s ALA 77 Ca -0.06 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.96 2djw s ALA 77 Cb -0.09 -1.50 0.13 0.00 0.00 0.00 0.00 23.12 21.66 2djw s ALA 77 CO -0.00 0.74 0.28 0.71 0.00 0.00 0.00 175.76 177.49 2djw s TYR 78 N -1.35 3.30 0.37 0.00 2.02 -1.26 -5.11 117.35 115.32 2djw s TYR 78 Ca 0.28 -3.04 -0.06 0.00 -0.37 0.00 0.00 57.07 53.88 2djw s TYR 78 Cb -0.12 -2.93 0.09 0.00 -0.40 0.00 0.00 41.96 38.60 2djw s TYR 78 CO 0.21 -0.79 0.31 -2.30 -1.57 0.00 0.00 175.55 171.41 2djw n PRO 79 N 3.34 -1.86 -0.94 -1.71 -0.02 -1.26 -5.34 135.00 127.21 2djw n PRO 79 Ca 0.05 -0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.03 2djw n PRO 79 Cb 0.35 -0.50 0.00 0.00 -0.02 0.00 0.00 33.50 33.33 2djw n PRO 79 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35