#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 4.39 -0.02 1.12 1.01 0.23 -4.92 121.20 123.01 2djw s ILE 2 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.06 2djw s ILE 2 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 2djw s ILE 2 CO 0.00 0.18 0.71 -0.89 0.00 0.00 0.00 174.94 174.94 2djw s THR 3 N 1.60 4.94 0.08 2.92 2.01 -1.26 0.46 115.64 126.38 2djw s THR 3 Ca 0.05 1.48 0.07 0.00 0.31 0.00 0.00 61.69 63.61 2djw s THR 3 Cb -0.16 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.26 2djw s THR 3 CO 0.05 0.30 -0.19 0.00 -0.69 0.00 0.00 174.62 174.09 2djw s ALA 4 N 0.43 1.61 -0.30 7.40 0.00 -0.56 -1.49 121.76 128.83 2djw s ALA 4 Ca 0.37 -1.13 -0.05 0.00 0.00 0.00 0.00 51.96 51.15 2djw s ALA 4 Cb -0.19 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2djw s ALA 4 CO 0.20 0.31 0.06 -0.06 0.00 0.00 0.00 175.76 176.26 2djw s PHE 5 N -1.11 3.19 -0.21 0.00 0.08 -0.34 -0.99 117.98 118.59 2djw s PHE 5 Ca 0.04 -1.35 -0.09 0.00 0.12 0.00 0.00 56.93 55.66 2djw s PHE 5 Cb -0.10 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.10 2djw s PHE 5 CO 0.03 -0.69 0.10 0.08 -0.10 0.00 0.00 175.22 174.65 2djw s VAL 6 N 1.40 5.05 -0.17 -0.44 1.01 0.01 -0.10 120.40 127.16 2djw s VAL 6 Ca -0.00 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2djw s VAL 6 Cb -0.18 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2djw s VAL 6 CO 0.01 0.42 -0.01 -0.76 0.00 0.00 0.00 175.10 174.76 2djw s LEU 7 N 0.65 3.35 -0.09 3.92 1.02 -0.74 -0.57 118.68 126.22 2djw s LEU 7 Ca 0.06 -0.11 0.05 0.00 0.02 0.00 0.00 54.13 54.14 2djw s LEU 7 Cb -0.13 -1.83 -0.00 0.00 0.02 0.00 0.00 46.19 44.25 2djw s LEU 7 CO 0.01 0.14 -0.24 -0.63 0.02 0.00 0.00 176.35 175.65 2djw s ILE 8 N 0.57 2.04 -0.51 -0.59 1.09 0.29 -1.38 121.20 122.71 2djw s ILE 8 Ca -0.01 -1.02 -0.06 0.00 -1.10 0.00 0.00 60.65 58.46 2djw s ILE 8 Cb -0.14 -1.75 0.13 0.00 -1.06 0.00 0.00 42.46 39.64 2djw s ILE 8 CO 0.02 0.56 0.35 -0.60 -0.10 0.00 0.00 174.94 175.17 2djw s ARG 9 N 0.21 2.40 0.59 2.79 3.52 0.80 -2.08 118.95 127.18 2djw s ARG 9 Ca -0.15 -2.01 -0.08 0.00 -0.13 0.00 0.00 55.73 53.37 2djw s ARG 9 Cb -0.17 -3.79 -0.01 0.00 -1.56 0.00 0.00 34.95 29.42 2djw s ARG 9 CO 0.07 -1.16 0.93 -2.14 -0.81 0.00 0.00 175.30 172.20 2djw s PRO 10 N 0.87 3.21 0.52 5.12 0.02 -1.26 -1.05 135.00 142.42 2djw s PRO 10 Ca 0.10 0.27 -0.22 0.00 0.02 0.00 0.00 61.00 61.18 2djw s PRO 10 Cb -0.23 -2.22 -0.07 0.00 0.02 0.00 0.00 34.50 32.00 2djw s PRO 10 CO -0.03 -0.60 1.08 -2.13 -0.33 0.00 0.00 177.00 174.99 2djw n ARG 11 N -2.60 1.30 -0.12 5.54 0.63 -0.75 -4.77 116.66 115.89 2djw n ARG 11 Ca 0.04 0.48 -0.11 0.00 -0.92 0.00 0.00 57.85 57.34 2djw n ARG 11 Cb 0.56 -2.23 -0.06 0.00 0.45 0.00 0.00 32.46 31.18 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 1.16 -0.68 -2.43 5.14 0.00 -1.96 -1.85 103.07 102.44 2djw h GLY 12 Ca -0.48 0.59 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 2djw h GLY 12 CO 0.55 -0.17 0.10 1.16 0.00 0.00 0.00 176.54 178.18 2djw n ASN 13 N -5.41 3.53 0.00 0.19 6.94 -1.26 -2.95 115.26 116.30 2djw n ASN 13 Ca -0.01 -2.29 0.00 0.00 -0.02 0.00 0.00 54.58 52.25 2djw n ASN 13 Cb 0.35 -0.64 0.00 0.00 -2.36 0.00 0.00 39.78 37.13 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 0.40 -0.17 0.23 -3.83 5.12 -0.70 -4.89 116.66 112.83 2djw n ARG 14 Ca 0.09 -0.15 -0.15 0.00 -1.93 0.00 0.00 57.85 55.70 2djw n ARG 14 Cb 0.65 -0.61 -0.08 0.00 -1.16 0.00 0.00 32.46 31.26 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 0.86 0.34 -0.32 1.55 2.07 -1.55 -0.41 116.25 118.79 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 0.42 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 2djw h VAL 15 CO 0.00 0.00 0.18 1.56 0.02 0.00 0.00 177.57 179.33 2djw h GLN 16 N -0.70 0.44 -0.22 1.57 4.20 -1.90 -0.94 115.11 117.56 2djw h GLN 16 Ca -0.03 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.69 2djw h GLN 16 Cb 0.62 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 2djw h GLN 16 CO -0.03 0.36 -0.17 0.00 -0.67 0.00 0.00 178.83 178.32 2djw h ALA 17 N 1.06 -0.02 -0.27 3.87 0.00 -1.86 -2.30 119.26 119.74 2djw h ALA 17 Ca 0.11 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2djw h ALA 17 Cb 0.04 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2djw h ALA 17 CO -0.02 -0.60 -0.55 -0.07 0.00 0.00 0.00 179.25 178.01 2djw h LEU 18 N -0.17 0.90 -0.52 0.00 3.38 -0.95 -0.63 115.31 117.33 2djw h LEU 18 Ca 0.13 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.69 2djw h LEU 18 Cb 0.37 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2djw h LEU 18 CO -0.33 1.27 0.17 1.23 0.09 0.00 0.00 178.44 180.88 2djw h GLY 19 N 0.77 0.69 1.49 0.83 0.00 -1.09 0.53 103.07 106.29 2djw h GLY 19 Ca 0.01 -0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.10 2djw h GLY 19 CO 0.12 -0.01 -0.52 0.83 0.00 0.00 0.00 176.54 176.96 2djw h GLU 20 N 0.34 0.54 -0.61 4.80 5.08 -1.37 -2.19 114.58 121.17 2djw h GLU 20 Ca 0.25 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2djw h GLU 20 Cb 0.29 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2djw h GLU 20 CO -0.27 0.93 0.11 0.00 -1.00 0.00 0.00 179.01 178.78 2djw h ALA 21 N 1.01 0.81 -0.23 3.43 0.00 -0.47 -3.05 119.26 120.75 2djw h ALA 21 Ca 0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2djw h ALA 21 Cb 1.06 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2djw h ALA 21 CO 0.10 0.55 -0.23 0.82 0.00 0.00 0.00 179.25 180.49 2djw h ILE 22 N 0.90 1.25 0.00 0.00 1.08 0.12 -3.16 117.51 117.70 2djw h ILE 22 Ca 0.19 -1.20 -0.03 0.00 -0.39 0.00 0.00 64.86 63.43 2djw h ILE 22 Cb 0.41 1.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2djw h ILE 22 CO 0.01 0.38 -0.15 0.00 -0.69 0.00 0.00 178.15 177.70 2djw h ALA 23 N 1.37 1.21 -0.04 1.87 0.00 -1.28 -3.04 119.26 119.34 2djw h ALA 23 Ca 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2djw h ALA 23 Cb 0.62 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2djw h ALA 23 CO 0.04 0.19 -0.05 0.93 0.00 0.00 0.00 179.25 180.36 2djw h GLU 24 N 0.00 0.10 -5.76 0.00 4.39 -1.55 -3.46 114.58 108.30 2djw h GLU 24 Ca -0.00 -0.06 -0.73 0.00 0.34 0.00 0.00 59.36 58.91 2djw h GLU 24 Cb 0.45 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 29.16 2djw h GLU 24 CO 0.02 0.59 -0.08 1.28 -1.16 0.00 0.00 179.01 179.67 2djw n LEU 25 N -4.75 -0.29 -0.11 1.33 4.77 -1.15 -4.85 117.00 111.95 2djw n LEU 25 Ca -0.08 1.11 -0.03 0.00 -0.03 0.00 0.00 56.01 56.97 2djw n LEU 25 Cb 0.30 -0.89 0.18 0.00 -2.33 0.00 0.00 43.42 40.68 2djw n LEU 25 CO 0.35 -2.08 0.92 -0.65 -1.33 0.00 0.00 177.39 174.60 2djw h PRO 26 N 2.43 0.78 0.00 3.23 0.11 -1.89 -2.74 132.00 133.92 2djw h PRO 26 Ca -0.44 -0.19 -0.08 0.00 0.11 0.00 0.00 66.00 65.40 2djw h PRO 26 Cb 1.37 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 2djw h PRO 26 CO 0.61 0.76 -0.38 1.96 -0.21 0.00 0.00 178.00 180.73 2djw h GLN 27 N 0.74 0.00 -6.28 1.05 7.50 -1.88 -3.44 115.11 112.79 2djw h GLN 27 Ca 0.15 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.74 2djw h GLN 27 Cb 0.39 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.89 2djw h GLN 27 CO 0.01 0.38 1.09 0.08 -1.50 0.00 0.00 178.83 178.89 2djw s VAL 28 N -3.55 3.78 -0.07 -0.54 1.01 -1.03 -1.19 120.40 118.81 2djw s VAL 28 Ca 0.00 0.88 0.07 0.00 0.00 0.00 0.00 61.98 62.93 2djw s VAL 28 Cb 0.11 -3.77 -0.24 0.00 0.00 0.00 0.00 36.38 32.48 2djw s VAL 28 CO 0.69 -0.29 0.56 0.00 0.00 0.00 0.00 175.10 176.05 2djw n ALA 29 N 8.15 1.30 -3.26 5.51 0.00 0.36 -4.93 120.51 127.65 2djw n ALA 29 Ca 0.18 -0.72 -0.14 0.00 0.00 0.00 0.00 53.44 52.76 2djw n ALA 29 Cb 0.45 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.03 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 -2.58 0.67 -0.17 0.00 2.02 -0.97 -5.01 118.70 112.66 2djw s GLU 30 Ca -0.10 -0.10 -0.10 0.00 0.02 0.00 0.00 54.97 54.68 2djw s GLU 30 Cb 0.08 0.30 0.06 0.00 0.10 0.00 0.00 34.13 34.66 2djw s GLU 30 CO 0.81 -0.18 0.42 0.54 0.02 0.00 0.00 175.26 176.87 2djw s VAL 31 N -1.18 -0.02 0.16 2.63 0.11 -1.26 0.12 120.40 120.96 2djw s VAL 31 Ca -0.12 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 2djw s VAL 31 Cb -0.05 -0.62 -0.04 0.00 -1.53 0.00 0.00 36.38 34.13 2djw s VAL 31 CO 0.04 0.03 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.41 2djw s TYR 32 N 1.24 1.44 -0.10 1.54 2.02 -0.91 -4.98 117.35 117.59 2djw s TYR 32 Ca -0.08 -0.67 -0.17 0.00 -0.37 0.00 0.00 57.07 55.78 2djw s TYR 32 Cb -0.07 -0.71 -0.05 0.00 -0.40 0.00 0.00 41.96 40.74 2djw s TYR 32 CO -0.11 0.19 0.44 0.45 -1.57 0.00 0.00 175.55 174.95 2djw s SER 33 N -3.14 6.67 0.09 2.29 0.15 -1.26 -1.93 113.70 116.57 2djw s SER 33 Ca 0.18 0.80 0.02 0.00 0.70 0.00 0.00 55.95 57.65 2djw s SER 33 Cb 0.01 -2.27 -0.04 0.00 -1.71 0.00 0.00 66.02 62.01 2djw s SER 33 CO 0.03 0.06 -0.08 0.68 1.20 0.00 0.00 173.24 175.14 2djw s VAL 34 N 0.34 0.73 0.88 4.45 -7.23 -0.22 -4.99 120.40 114.36 2djw s VAL 34 Ca 0.24 -1.65 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 2djw s VAL 34 Cb -0.15 -1.34 0.12 0.00 0.56 0.00 0.00 36.38 35.57 2djw s VAL 34 CO 0.10 -0.67 1.10 0.42 -0.31 0.00 0.00 175.10 175.74 2djw s THR 35 N -2.77 2.63 0.00 5.32 -4.23 -1.26 -4.62 115.64 110.71 2djw s THR 35 Ca 0.05 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.76 2djw s THR 35 Cb -0.01 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.34 2djw s THR 35 CO -0.02 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 2djw n GLY 36 N -0.52 0.12 0.05 3.99 0.00 -1.26 -4.66 105.19 102.91 2djw n GLY 36 Ca 0.09 -2.24 0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 0.21 -3.96 1.61 -0.05 -1.26 -4.78 135.00 126.78 2djw n PRO 37 Ca 0.00 0.08 -0.30 0.00 -0.05 0.00 0.00 63.50 63.24 2djw n PRO 37 Cb 0.00 -1.66 -0.16 0.00 -0.05 0.00 0.00 33.50 31.63 2djw n PRO 37 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 175.50 176.16 2djw s TYR 38 N -3.11 2.18 0.45 0.54 2.02 -1.26 -4.86 117.35 113.30 2djw s TYR 38 Ca 0.08 -1.43 0.15 0.00 -0.37 0.00 0.00 57.07 55.51 2djw s TYR 38 Cb 0.14 -1.53 1.06 0.00 -0.40 0.00 0.00 41.96 41.23 2djw s TYR 38 CO 0.68 -0.70 2.01 -0.44 -1.57 0.00 0.00 175.55 175.53 2djw h ASP 39 N 8.02 0.00 -4.29 2.29 3.32 -1.70 -3.43 116.42 120.64 2djw h ASP 39 Ca -0.26 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.19 2djw h ASP 39 Cb 1.10 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 40.39 2djw h ASP 39 CO 0.45 0.16 -0.85 -0.76 -1.72 0.00 0.00 179.24 176.53 2djw s LEU 40 N -8.60 2.17 -0.18 1.55 1.43 -0.88 -1.06 118.68 113.11 2djw s LEU 40 Ca -0.04 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 2djw s LEU 40 Cb 0.16 -1.01 0.06 0.00 0.03 0.00 0.00 46.19 45.42 2djw s LEU 40 CO 0.69 0.17 0.03 -0.69 0.23 0.00 0.00 176.35 176.78 2djw s VAL 41 N -0.80 0.51 -0.14 -1.59 1.01 -0.81 -0.54 120.40 118.04 2djw s VAL 41 Ca 0.08 -0.50 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 2djw s VAL 41 Cb -0.09 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2djw s VAL 41 CO 0.02 -0.17 0.59 0.00 0.00 0.00 0.00 175.10 175.54 2djw s ALA 42 N 1.87 3.47 -0.43 5.51 0.00 0.26 -2.15 121.76 130.30 2djw s ALA 42 Ca -0.00 -0.16 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 2djw s ALA 42 Cb -0.17 -2.85 0.02 0.00 0.00 0.00 0.00 23.12 20.13 2djw s ALA 42 CO -0.08 -0.25 0.85 -1.17 0.00 0.00 0.00 175.76 175.11 2djw s LEU 43 N 1.20 4.11 -0.03 0.00 2.96 0.12 -0.81 118.68 126.22 2djw s LEU 43 Ca 0.30 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.35 2djw s LEU 43 Cb -0.16 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.40 2djw s LEU 43 CO 0.12 -0.92 0.05 -0.69 -1.32 0.00 0.00 176.35 173.60 2djw s VAL 44 N 3.44 4.59 -0.19 1.68 1.01 -0.16 -0.49 120.40 130.27 2djw s VAL 44 Ca 0.34 -0.36 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 2djw s VAL 44 Cb -0.12 -3.04 0.05 0.00 0.00 0.00 0.00 36.38 33.27 2djw s VAL 44 CO 0.22 0.43 -0.05 -0.13 0.00 0.00 0.00 175.10 175.58 2djw s ARG 45 N -1.46 1.49 0.08 2.72 1.81 -0.33 -1.50 118.95 121.76 2djw s ARG 45 Ca 0.19 -0.67 0.06 0.00 -1.72 0.00 0.00 55.73 53.59 2djw s ARG 45 Cb -0.12 -2.22 -0.04 0.00 -0.45 0.00 0.00 34.95 32.13 2djw s ARG 45 CO 0.10 -0.49 -0.05 -0.51 -0.68 0.00 0.00 175.30 173.66 2djw s LEU 46 N 1.56 3.24 -0.07 2.53 1.02 0.17 -4.72 118.68 122.42 2djw s LEU 46 Ca -0.01 -0.26 -0.17 0.00 0.02 0.00 0.00 54.13 53.70 2djw s LEU 46 Cb -0.16 -1.98 -0.13 0.00 0.02 0.00 0.00 46.19 43.93 2djw s LEU 46 CO -0.07 0.19 0.67 0.50 0.02 0.00 0.00 176.35 177.66 2djw h LYS 47 N 3.67 -0.21 -5.53 1.70 3.64 -1.96 0.66 116.57 118.54 2djw h LYS 47 Ca -0.48 0.01 -0.47 0.00 -1.27 0.00 0.00 60.65 58.44 2djw h LYS 47 Cb 1.17 0.05 -0.24 0.00 -0.41 0.00 0.00 32.23 32.80 2djw h LYS 47 CO 0.56 0.16 -0.80 0.16 -2.27 0.00 0.00 179.45 177.25 2djw s ASP 48 N -5.46 1.88 0.61 4.20 1.47 -1.26 -4.41 116.67 113.70 2djw s ASP 48 Ca -0.10 -0.53 0.34 0.00 1.18 0.00 0.00 52.55 53.43 2djw s ASP 48 Cb 0.00 -0.11 2.00 0.00 -0.34 0.00 0.00 42.92 44.47 2djw s ASP 48 CO 0.37 0.03 2.29 -0.37 0.68 0.00 0.00 175.17 178.17 2djw h VAL 49 N 4.38 0.38 0.00 2.11 -1.51 -1.96 0.44 116.25 120.08 2djw h VAL 49 Ca -0.40 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 2djw h VAL 49 Cb 1.18 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2djw h VAL 49 CO 0.42 0.00 0.08 -0.33 -1.23 0.00 0.00 177.57 176.52 2djw h GLU 50 N 0.00 0.00 0.00 5.19 3.07 -2.02 -1.91 114.58 118.91 2djw h GLU 50 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2djw h GLU 50 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2djw h GLU 50 CO 0.00 0.00 0.00 -1.91 -1.40 0.00 0.00 179.01 175.70 2djw n GLU 51 N -2.93 0.00 0.27 2.33 2.13 0.14 -3.13 120.64 119.45 2djw n GLU 51 Ca -0.03 0.08 0.14 0.00 0.66 0.00 0.00 57.16 58.01 2djw n GLU 51 Cb 0.14 -1.50 0.73 0.00 0.27 0.00 0.00 31.44 31.09 2djw n GLU 51 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2djw h LEU 52 N 0.00 0.00 -0.65 4.31 3.38 -1.53 -2.07 115.31 118.74 2djw h LEU 52 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2djw h LEU 52 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2djw h LEU 52 CO 0.00 0.11 -0.11 -0.78 0.09 0.00 0.00 178.44 177.74 2djw h ASP 53 N 0.00 0.93 0.20 -0.43 3.58 -1.78 0.17 116.42 119.09 2djw h ASP 53 Ca -0.00 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 2djw h ASP 53 Cb 0.38 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2djw h ASP 53 CO 0.01 1.05 -0.10 0.44 -2.88 0.00 0.00 179.24 177.77 2djw h ASP 54 N 0.83 -0.23 0.06 2.28 3.32 -1.61 -2.03 116.42 119.05 2djw h ASP 54 Ca 0.13 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.80 2djw h ASP 54 Cb 0.65 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2djw h ASP 54 CO 0.05 0.14 -0.49 1.62 -1.72 0.00 0.00 179.24 178.83 2djw h VAL 55 N -0.62 1.32 0.00 -1.35 3.04 -1.41 0.44 116.25 117.67 2djw h VAL 55 Ca -0.03 -1.72 -0.18 0.00 -1.01 0.00 0.00 66.70 63.77 2djw h VAL 55 Cb 0.45 1.72 -0.03 0.00 -2.01 0.00 0.00 31.29 31.42 2djw h VAL 55 CO 0.04 0.53 -1.58 0.52 -1.01 0.00 0.00 177.57 176.08 2djw n VAL 56 N -3.98 1.50 -0.05 1.51 0.31 0.59 -1.09 118.33 117.11 2djw n VAL 56 Ca -0.02 -0.06 -0.15 0.00 -0.01 0.00 0.00 64.34 64.09 2djw n VAL 56 Cb 0.56 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 31.28 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 -0.98 1.31 0.00 2.52 2.02 -1.45 0.53 112.91 116.86 2djw h THR 57 Ca -0.27 -1.74 -0.36 0.00 0.77 0.00 0.00 66.41 64.80 2djw h THR 57 Cb 1.22 1.87 -0.05 0.00 -1.74 0.00 0.00 68.15 69.45 2djw h THR 57 CO -0.16 0.55 -2.07 0.00 0.37 0.00 0.00 175.52 174.20 2djw n GLN 58 N -4.12 0.58 -0.04 6.66 3.00 -0.92 -3.68 117.38 118.86 2djw n GLN 58 Ca -0.06 0.34 -0.10 0.00 -0.01 0.00 0.00 57.00 57.17 2djw n GLN 58 Cb 0.61 -1.55 -0.03 0.00 0.00 0.00 0.00 30.24 29.27 2djw n GLN 58 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 2djw h GLY 59 N -1.00 0.26 0.00 1.08 0.00 -0.22 -3.14 103.07 100.05 2djw h GLY 59 Ca -0.55 -0.08 -0.43 0.00 0.00 0.00 0.00 47.33 46.27 2djw h GLY 59 CO -0.33 0.08 -2.50 1.39 0.00 0.00 0.00 176.54 175.17 2djw n ILE 60 N -4.98 1.48 0.36 2.60 5.41 -0.25 -4.69 119.36 119.29 2djw n ILE 60 Ca -0.03 -0.44 0.14 0.00 1.00 0.00 0.00 62.75 63.42 2djw n ILE 60 Cb 0.04 -1.72 0.48 0.00 -0.71 0.00 0.00 39.64 37.73 2djw n ILE 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2djw h LEU 61 N -0.67 0.00 -0.94 1.39 3.38 -0.08 -2.97 115.31 115.42 2djw h LEU 61 Ca -0.65 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.29 2djw h LEU 61 Cb 1.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 2djw h LEU 61 CO -0.32 0.00 -0.14 0.77 0.09 0.00 0.00 178.44 178.84 2djw h SER 62 N 0.00 0.00 -4.01 -0.43 4.64 -1.62 -3.46 113.55 108.68 2djw h SER 62 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2djw h SER 62 Cb 0.61 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.72 2djw h SER 62 CO 0.00 0.14 0.40 -0.76 -0.87 0.00 0.00 176.83 175.74 2djw s LEU 63 N -6.48 4.03 0.39 5.97 1.43 -1.12 -5.01 118.68 117.89 2djw s LEU 63 Ca 0.02 1.98 -0.26 0.00 -1.03 0.00 0.00 54.13 54.84 2djw s LEU 63 Cb 0.09 -4.33 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 2djw s LEU 63 CO 0.62 -0.59 1.26 -0.70 0.23 0.00 0.00 176.35 177.18 2djw s GLU 64 N -2.78 4.06 0.00 1.70 2.56 -1.26 -3.88 118.70 119.10 2djw s GLU 64 Ca 0.61 2.08 0.00 0.00 0.00 0.00 0.00 54.97 57.66 2djw s GLU 64 Cb -0.19 -2.79 0.00 0.00 2.00 0.00 0.00 34.13 33.14 2djw s GLU 64 CO 0.24 -0.39 0.00 0.41 -0.56 0.00 0.00 175.26 174.96 2djw n GLY 65 N 0.70 2.92 3.50 -1.50 0.00 -1.26 -4.95 105.19 104.60 2djw n GLY 65 Ca 0.03 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 2djw n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2djw n VAL 66 N 0.00 0.01 0.07 1.61 0.24 -1.25 -1.81 118.33 117.20 2djw n VAL 66 Ca 0.00 -0.39 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 2djw n VAL 66 Cb 0.00 -1.71 -0.13 0.00 -1.47 0.00 0.00 33.84 30.53 2djw n VAL 66 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2djw h GLU 67 N 15.18 0.13 -1.96 7.34 5.08 -1.39 -3.48 114.58 135.48 2djw h GLU 67 Ca -0.18 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2djw h GLU 67 Cb 1.30 0.08 -0.22 0.00 0.50 0.00 0.00 28.75 30.41 2djw h GLU 67 CO 1.20 1.06 0.14 0.50 -1.00 0.00 0.00 179.01 180.91 2djw s ARG 68 N -2.67 0.78 0.22 2.33 6.06 -1.05 -5.01 118.95 119.61 2djw s ARG 68 Ca -0.03 1.00 0.11 0.00 -2.50 0.00 0.00 55.73 54.32 2djw s ARG 68 Cb 0.08 0.34 -0.05 0.00 0.06 0.00 0.00 34.95 35.39 2djw s ARG 68 CO 0.85 -0.11 -0.21 0.99 -2.50 0.00 0.00 175.30 174.33 2djw s THR 69 N 0.61 2.51 -0.21 4.11 2.01 -1.26 -0.14 115.64 123.27 2djw s THR 69 Ca -0.02 -2.12 -0.04 0.00 0.31 0.00 0.00 61.69 59.82 2djw s THR 69 Cb -0.05 -2.25 0.11 0.00 0.01 0.00 0.00 72.50 70.32 2djw s THR 69 CO -0.04 -0.21 0.35 -0.70 -0.69 0.00 0.00 174.62 173.33 2djw s GLU 70 N -2.99 0.28 -0.27 4.92 2.12 -0.48 -5.00 118.70 117.30 2djw s GLU 70 Ca 0.24 0.66 -0.14 0.00 0.36 0.00 0.00 54.97 56.10 2djw s GLU 70 Cb -0.07 -0.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.99 2djw s GLU 70 CO 0.12 -0.48 0.32 0.99 -0.54 0.00 0.00 175.26 175.67 2djw s THR 71 N 2.51 5.22 -0.97 -1.70 2.01 -1.26 -1.79 115.64 119.65 2djw s THR 71 Ca 0.06 0.45 -0.15 0.00 0.31 0.00 0.00 61.69 62.37 2djw s THR 71 Cb -0.14 -3.65 0.19 0.00 0.01 0.00 0.00 72.50 68.92 2djw s THR 71 CO -0.13 0.20 1.06 -0.76 -0.69 0.00 0.00 174.62 174.30 2djw s LEU 72 N 1.89 5.82 0.18 4.42 1.02 0.85 -4.96 118.68 127.89 2djw s LEU 72 Ca 0.13 -2.67 -0.30 0.00 0.02 0.00 0.00 54.13 51.31 2djw s LEU 72 Cb -0.16 -2.31 -0.08 0.00 0.02 0.00 0.00 46.19 43.67 2djw s LEU 72 CO 0.10 -0.73 1.11 -0.22 0.02 0.00 0.00 176.35 176.64 2djw s LEU 73 N 1.04 4.48 -0.02 1.79 2.96 -1.26 -1.20 118.68 126.47 2djw s LEU 73 Ca 0.29 2.11 -0.13 0.00 -0.22 0.00 0.00 54.13 56.19 2djw s LEU 73 Cb -0.07 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.96 2djw s LEU 73 CO -0.07 -0.24 0.35 0.00 -1.32 0.00 0.00 176.35 175.06 2djw s ALA 74 N -0.22 3.74 0.00 5.97 0.00 -0.56 -4.97 121.76 125.71 2djw s ALA 74 Ca 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2djw s ALA 74 Cb -0.30 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.52 2djw s ALA 74 CO 0.35 0.51 0.34 1.97 0.00 0.00 0.00 175.76 178.94 2djw n PHE 75 N 1.84 0.00 -3.66 0.00 1.16 -1.26 -4.64 117.46 110.90 2djw n PHE 75 Ca -0.15 -0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.35 2djw n PHE 75 Cb 0.53 -0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.31 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 -0.00 0.36 0.14 3.97 3.00 -1.26 -5.16 118.95 120.01 2djw s ARG 76 Ca 0.00 1.04 -0.13 0.00 -1.00 0.00 0.00 55.73 55.64 2djw s ARG 76 Cb 0.00 0.32 -0.07 0.00 0.00 0.00 0.00 34.95 35.21 2djw s ARG 76 CO 0.00 -0.23 0.52 0.00 0.00 0.00 0.00 175.30 175.59 2djw s ALA 77 N 2.45 3.60 -0.30 6.12 0.00 -1.26 -5.09 121.76 127.28 2djw s ALA 77 Ca -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 2djw s ALA 77 Cb -0.11 -2.47 0.06 0.00 0.00 0.00 0.00 23.12 20.60 2djw s ALA 77 CO -0.13 0.48 -0.00 0.71 0.00 0.00 0.00 175.76 176.82 2djw s TYR 78 N -1.50 3.30 0.85 0.00 2.02 -1.26 -5.12 117.35 115.64 2djw s TYR 78 Ca 0.38 -2.00 -0.13 0.00 -0.37 0.00 0.00 57.07 54.96 2djw s TYR 78 Cb -0.14 -2.17 0.11 0.00 -0.40 0.00 0.00 41.96 39.36 2djw s TYR 78 CO 0.19 -0.83 1.21 -2.14 -1.57 0.00 0.00 175.55 172.41 2djw s PRO 79 N 1.22 1.60 0.00 -1.71 0.02 -1.26 -5.33 135.00 129.53 2djw s PRO 79 Ca -0.05 -0.07 0.00 0.00 0.02 0.00 0.00 61.00 60.90 2djw s PRO 79 Cb -0.20 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2djw s PRO 79 CO -0.02 -1.81 0.00 -2.13 -0.33 0.00 0.00 177.00 172.71