#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 4.45 -0.01 1.12 1.01 -0.36 -4.95 121.20 122.45 2djw s ILE 2 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2djw s ILE 2 Cb 0.00 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 2djw s ILE 2 CO 0.00 0.44 0.20 -0.89 0.00 0.00 0.00 174.94 174.68 2djw s THR 3 N 0.68 5.41 0.02 2.92 2.01 -1.26 0.06 115.64 125.48 2djw s THR 3 Ca 0.02 -0.07 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 2djw s THR 3 Cb -0.14 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.84 2djw s THR 3 CO 0.02 0.35 0.18 0.00 -0.69 0.00 0.00 174.62 174.48 2djw s ALA 4 N -1.30 -0.39 -0.17 7.40 0.00 -0.26 -1.37 121.76 125.67 2djw s ALA 4 Ca 0.27 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.09 2djw s ALA 4 Cb -0.13 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.19 2djw s ALA 4 CO 0.17 -0.28 -0.18 -0.06 0.00 0.00 0.00 175.76 175.41 2djw s PHE 5 N -1.87 2.65 -0.26 0.00 0.08 -0.80 -1.18 117.98 116.59 2djw s PHE 5 Ca -0.11 -1.56 -0.08 0.00 0.12 0.00 0.00 56.93 55.30 2djw s PHE 5 Cb -0.05 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2djw s PHE 5 CO -0.00 -0.78 0.10 0.08 -0.10 0.00 0.00 175.22 174.52 2djw s VAL 6 N 1.33 4.54 -0.18 -0.44 1.01 0.48 -1.03 120.40 126.10 2djw s VAL 6 Ca 0.05 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.75 2djw s VAL 6 Cb -0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2djw s VAL 6 CO -0.12 0.31 0.45 -0.76 0.00 0.00 0.00 175.10 174.97 2djw s LEU 7 N 1.65 4.18 -0.14 3.92 2.01 0.12 -0.10 118.68 130.32 2djw s LEU 7 Ca 0.06 0.63 0.02 0.00 0.01 0.00 0.00 54.13 54.85 2djw s LEU 7 Cb -0.15 -2.61 0.01 0.00 0.01 0.00 0.00 46.19 43.45 2djw s LEU 7 CO 0.05 -0.09 -0.19 -0.63 1.01 0.00 0.00 176.35 176.51 2djw s ILE 8 N 1.25 1.84 -0.50 -0.59 1.01 0.11 -1.16 121.20 123.15 2djw s ILE 8 Ca 0.22 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 2djw s ILE 8 Cb -0.15 -1.66 0.12 0.00 0.01 0.00 0.00 42.46 40.78 2djw s ILE 8 CO 0.09 0.51 0.43 -0.60 0.00 0.00 0.00 174.94 175.36 2djw s ARG 9 N 1.02 2.82 0.49 2.79 3.52 -0.19 -1.67 118.95 127.74 2djw s ARG 9 Ca -0.04 -1.66 -0.01 0.00 -0.13 0.00 0.00 55.73 53.89 2djw s ARG 9 Cb -0.15 -4.14 0.10 0.00 -1.56 0.00 0.00 34.95 29.20 2djw s ARG 9 CO -0.05 -1.23 0.67 -0.35 -0.81 0.00 0.00 175.30 173.54 2djw n PRO 10 N 5.13 0.08 -2.88 5.12 -0.04 -1.26 -0.88 135.00 140.26 2djw n PRO 10 Ca -0.12 -1.77 -0.40 0.00 -0.04 0.00 0.00 63.50 61.17 2djw n PRO 10 Cb 0.41 -0.47 -0.05 0.00 -0.04 0.00 0.00 33.50 33.35 2djw n PRO 10 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2djw s ARG 11 N -4.22 4.62 0.23 0.54 3.52 -0.26 -4.76 118.95 118.62 2djw s ARG 11 Ca 0.44 1.25 -0.15 0.00 -0.13 0.00 0.00 55.73 57.14 2djw s ARG 11 Cb -0.02 -3.32 0.28 0.00 -1.56 0.00 0.00 34.95 30.32 2djw s ARG 11 CO 0.29 0.39 1.50 0.41 -0.81 0.00 0.00 175.30 177.08 2djw n GLY 12 N 1.99 -1.92 0.00 8.12 0.00 -1.26 0.11 105.19 112.23 2djw n GLY 12 Ca -0.02 1.07 0.10 0.00 0.00 0.00 0.00 46.02 47.17 2djw n GLY 12 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2djw n ASN 13 N -5.46 0.00 0.00 1.61 6.94 -1.26 -3.15 115.26 113.94 2djw n ASN 13 Ca 0.11 -1.36 0.10 0.00 -0.02 0.00 0.00 54.58 53.41 2djw n ASN 13 Cb 0.41 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.78 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 -0.81 0.05 -0.03 -3.83 5.12 0.31 -4.77 116.66 112.70 2djw n ARG 14 Ca 0.15 -0.01 -0.12 0.00 -1.93 0.00 0.00 57.85 55.94 2djw n ARG 14 Cb 0.07 -1.51 -0.06 0.00 -1.16 0.00 0.00 32.46 29.80 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 0.00 0.12 -0.70 1.55 2.07 -1.53 -0.41 116.25 117.35 2djw h VAL 15 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2djw h VAL 15 Cb 0.54 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2djw h VAL 15 CO 0.00 0.00 0.47 -0.61 0.02 0.00 0.00 177.57 177.45 2djw h GLN 16 N -0.47 0.92 -0.17 1.57 4.15 -1.87 -0.37 115.11 118.88 2djw h GLN 16 Ca 0.08 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2djw h GLN 16 Cb 0.63 -0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2djw h GLN 16 CO -0.44 0.61 -0.17 0.00 -1.93 0.00 0.00 178.83 176.90 2djw h ALA 17 N 1.26 0.25 -0.18 3.38 0.00 -1.72 -0.84 119.26 121.41 2djw h ALA 17 Ca 0.26 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2djw h ALA 17 Cb -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2djw h ALA 17 CO -0.06 0.15 -0.11 -0.07 0.00 0.00 0.00 179.25 179.17 2djw h LEU 18 N 0.05 0.27 -0.32 0.00 3.38 -1.05 -0.19 115.31 117.46 2djw h LEU 18 Ca 0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2djw h LEU 18 Cb 0.71 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2djw h LEU 18 CO 0.04 0.41 -0.09 1.23 0.09 0.00 0.00 178.44 180.12 2djw h GLY 19 N 0.75 0.67 0.93 0.83 0.00 -0.71 -0.99 103.07 104.55 2djw h GLY 19 Ca 0.06 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 2djw h GLY 19 CO 0.02 0.52 0.09 0.83 0.00 0.00 0.00 176.54 178.00 2djw h GLU 20 N 0.39 0.61 -0.46 4.80 5.08 -0.94 -2.62 114.58 121.44 2djw h GLU 20 Ca 0.08 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2djw h GLU 20 Cb 0.59 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2djw h GLU 20 CO 0.03 0.64 0.25 0.00 -1.00 0.00 0.00 179.01 178.94 2djw h ALA 21 N 0.94 0.58 -0.13 3.43 0.00 -1.01 -2.98 119.26 120.09 2djw h ALA 21 Ca 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2djw h ALA 21 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2djw h ALA 21 CO 0.00 0.11 -0.23 0.82 0.00 0.00 0.00 179.25 179.94 2djw h ILE 22 N 0.60 1.23 0.00 0.00 2.04 -1.18 -2.76 117.51 117.43 2djw h ILE 22 Ca 0.16 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 2djw h ILE 22 Cb 0.05 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2djw h ILE 22 CO -0.03 0.32 -0.04 0.00 0.00 0.00 0.00 178.15 178.41 2djw h ALA 23 N 1.55 1.25 -0.00 1.87 0.00 -1.30 -2.74 119.26 119.88 2djw h ALA 23 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2djw h ALA 23 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2djw h ALA 23 CO 0.04 0.05 -0.37 0.39 0.00 0.00 0.00 179.25 179.36 2djw n GLU 24 N -3.49 0.52 -2.24 0.00 -0.58 -1.04 -4.85 120.64 108.96 2djw n GLU 24 Ca -0.02 -0.31 -0.42 0.00 -0.42 0.00 0.00 57.16 55.98 2djw n GLU 24 Cb 0.15 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 2djw n GLU 24 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2djw s LEU 25 N -2.70 4.29 0.30 -4.62 1.43 -1.03 -4.93 118.68 111.42 2djw s LEU 25 Ca 0.19 2.04 0.05 0.00 -1.03 0.00 0.00 54.13 55.38 2djw s LEU 25 Cb 0.18 -3.55 0.72 0.00 0.03 0.00 0.00 46.19 43.57 2djw s LEU 25 CO 0.60 -0.75 1.78 -0.65 0.23 0.00 0.00 176.35 177.55 2djw h PRO 26 N 8.18 0.75 -0.00 1.29 0.11 -1.89 0.32 132.00 140.75 2djw h PRO 26 Ca -0.36 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2djw h PRO 26 Cb 1.16 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2djw h PRO 26 CO 0.92 0.50 -0.02 1.04 -0.21 0.00 0.00 178.00 180.23 2djw n GLN 27 N -4.77 0.09 -2.69 1.05 3.00 -1.26 -4.76 117.38 108.05 2djw n GLN 27 Ca 0.23 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.79 2djw n GLN 27 Cb 0.55 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.26 2djw n GLN 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2djw s VAL 28 N -2.91 4.06 0.06 5.09 1.01 0.10 -1.61 120.40 126.20 2djw s VAL 28 Ca 0.17 0.32 -0.20 0.00 0.00 0.00 0.00 61.98 62.27 2djw s VAL 28 Cb 0.19 -4.74 -0.12 0.00 0.00 0.00 0.00 36.38 31.71 2djw s VAL 28 CO 0.52 -1.50 1.42 0.00 0.00 0.00 0.00 175.10 175.54 2djw h ALA 29 N 9.67 0.25 -2.81 5.51 0.00 -0.86 -3.47 119.26 127.55 2djw h ALA 29 Ca -0.27 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 2djw h ALA 29 Cb 1.06 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.56 2djw h ALA 29 CO 1.20 0.05 -0.31 -1.21 0.00 0.00 0.00 179.25 178.98 2djw s GLU 30 N -4.61 0.47 -0.03 0.00 2.02 -0.98 -4.99 118.70 110.58 2djw s GLU 30 Ca -0.14 0.30 -0.02 0.00 0.02 0.00 0.00 54.97 55.13 2djw s GLU 30 Cb 0.06 0.22 0.01 0.00 0.10 0.00 0.00 34.13 34.52 2djw s GLU 30 CO 0.74 -0.08 0.07 0.54 0.02 0.00 0.00 175.26 176.55 2djw s VAL 31 N -0.21 -0.00 0.00 2.63 0.11 -1.26 0.12 120.40 121.79 2djw s VAL 31 Ca -0.04 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.00 2djw s VAL 31 Cb -0.03 -0.10 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 2djw s VAL 31 CO 0.01 0.01 0.04 -0.31 -3.33 0.00 0.00 175.10 171.52 2djw s TYR 32 N 0.10 0.11 0.01 1.54 2.02 -0.37 -4.99 117.35 115.77 2djw s TYR 32 Ca -0.01 -0.23 -0.30 0.00 -0.37 0.00 0.00 57.07 56.17 2djw s TYR 32 Cb -0.01 -0.09 -0.04 0.00 -0.40 0.00 0.00 41.96 41.42 2djw s TYR 32 CO -0.00 -0.18 1.03 0.45 -1.57 0.00 0.00 175.55 175.28 2djw s SER 33 N -1.04 7.30 0.19 2.29 0.15 -1.26 -0.84 113.70 120.49 2djw s SER 33 Ca -0.11 1.74 0.05 0.00 0.70 0.00 0.00 55.95 58.33 2djw s SER 33 Cb -0.07 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.62 2djw s SER 33 CO 0.00 -0.32 -0.09 0.68 1.20 0.00 0.00 173.24 174.71 2djw s VAL 34 N 1.07 1.36 0.67 4.45 -7.23 -0.53 -4.97 120.40 115.23 2djw s VAL 34 Ca 0.53 -2.11 -0.10 0.00 -1.81 0.00 0.00 61.98 58.50 2djw s VAL 34 Cb -0.23 -2.06 0.01 0.00 0.56 0.00 0.00 36.38 34.66 2djw s VAL 34 CO 0.28 -0.58 1.05 0.42 -0.31 0.00 0.00 175.10 175.95 2djw s THR 35 N -3.21 3.58 0.00 5.32 -4.23 -1.26 -4.64 115.64 111.21 2djw s THR 35 Ca 0.22 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 61.11 2djw s THR 35 Cb 0.02 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2djw s THR 35 CO 0.05 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2djw n GLY 36 N -2.89 -1.38 0.00 3.99 0.00 -1.26 -4.69 105.19 98.95 2djw n GLY 36 Ca 0.06 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 0.06 -4.97 1.61 -0.04 -1.26 -4.65 135.00 125.75 2djw n PRO 37 Ca 0.00 0.04 -0.30 0.00 -0.04 0.00 0.00 63.50 63.21 2djw n PRO 37 Cb 0.00 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 31.81 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 -2.94 2.23 -0.11 0.54 2.02 -1.26 -4.94 117.35 112.89 2djw s TYR 38 Ca 0.15 -0.41 0.15 0.00 -0.37 0.00 0.00 57.07 56.59 2djw s TYR 38 Cb 0.18 -1.36 -0.24 0.00 -0.40 0.00 0.00 41.96 40.14 2djw s TYR 38 CO 0.47 0.07 0.44 -0.25 -1.57 0.00 0.00 175.55 174.72 2djw n ASP 39 N 1.99 0.53 -4.09 2.29 8.00 -0.67 -4.65 116.55 119.95 2djw n ASP 39 Ca -0.17 0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 2djw n ASP 39 Cb 0.52 0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 41.88 2djw n ASP 39 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2djw s LEU 40 N -5.83 2.25 -0.03 0.64 1.43 -0.67 -1.45 118.68 115.02 2djw s LEU 40 Ca -0.07 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 2djw s LEU 40 Cb 0.07 -0.28 -0.01 0.00 0.03 0.00 0.00 46.19 46.01 2djw s LEU 40 CO 0.83 -0.15 -0.16 -0.69 0.23 0.00 0.00 176.35 176.41 2djw s VAL 41 N -1.29 1.29 -0.14 -1.59 1.01 -0.02 0.09 120.40 119.74 2djw s VAL 41 Ca -0.07 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 2djw s VAL 41 Cb -0.10 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2djw s VAL 41 CO 0.01 0.37 -0.12 0.00 0.00 0.00 0.00 175.10 175.36 2djw s ALA 42 N -0.12 2.64 -0.30 5.51 0.00 0.86 -1.24 121.76 129.11 2djw s ALA 42 Ca 0.01 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 2djw s ALA 42 Cb -0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 2djw s ALA 42 CO 0.01 0.18 0.26 -1.17 0.00 0.00 0.00 175.76 175.04 2djw s LEU 43 N 0.46 4.17 -0.09 0.00 2.96 0.32 -0.39 118.68 126.12 2djw s LEU 43 Ca -0.09 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2djw s LEU 43 Cb -0.16 -2.22 0.01 0.00 0.50 0.00 0.00 46.19 44.32 2djw s LEU 43 CO 0.04 -0.15 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.04 2djw s VAL 44 N 1.86 1.69 -0.20 1.68 1.01 -0.33 -0.17 120.40 125.94 2djw s VAL 44 Ca 0.09 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2djw s VAL 44 Cb -0.16 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2djw s VAL 44 CO 0.11 0.48 0.04 -0.13 0.00 0.00 0.00 175.10 175.60 2djw s ARG 45 N 0.48 3.76 0.04 2.72 1.81 -0.63 -1.10 118.95 126.04 2djw s ARG 45 Ca -0.17 -0.45 0.06 0.00 -1.72 0.00 0.00 55.73 53.46 2djw s ARG 45 Cb -0.17 -3.18 -0.03 0.00 -0.45 0.00 0.00 34.95 31.11 2djw s ARG 45 CO 0.07 0.07 -0.14 -0.51 -0.68 0.00 0.00 175.30 174.10 2djw s LEU 46 N 0.90 2.80 0.08 2.53 1.43 0.11 -4.75 118.68 121.78 2djw s LEU 46 Ca 0.03 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2djw s LEU 46 Cb -0.14 -1.63 -0.24 0.00 0.03 0.00 0.00 46.19 44.21 2djw s LEU 46 CO 0.02 0.25 1.16 0.07 0.23 0.00 0.00 176.35 178.08 2djw h LYS 47 N 4.41 0.42 -4.33 1.70 2.10 -1.98 -0.94 116.57 117.95 2djw h LYS 47 Ca -0.48 -0.60 -0.16 0.00 -2.00 0.00 0.00 60.65 57.41 2djw h LYS 47 Cb 1.16 0.21 -0.15 0.00 -0.90 0.00 0.00 32.23 32.55 2djw h LYS 47 CO 0.50 1.25 -0.63 0.34 -2.00 0.00 0.00 179.45 178.91 2djw s ASP 48 N -7.25 0.34 0.53 7.07 -1.08 -1.26 -4.75 116.67 110.27 2djw s ASP 48 Ca -0.06 -1.11 0.31 0.00 -0.52 0.00 0.00 52.55 51.17 2djw s ASP 48 Cb 0.07 0.28 1.31 0.00 -1.46 0.00 0.00 42.92 43.11 2djw s ASP 48 CO 0.90 -0.70 1.97 -0.37 0.52 0.00 0.00 175.17 177.49 2djw h VAL 49 N 2.93 0.18 0.00 1.11 -1.51 -1.98 -2.99 116.25 113.99 2djw h VAL 49 Ca -0.35 -0.65 -0.02 0.00 -1.23 0.00 0.00 66.70 64.45 2djw h VAL 49 Cb 1.18 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.88 2djw h VAL 49 CO 0.60 0.06 -0.11 1.05 -1.23 0.00 0.00 177.57 177.95 2djw h GLU 50 N 0.00 0.00 0.00 5.19 -0.00 -2.01 -2.61 114.58 115.14 2djw h GLU 50 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2djw h GLU 50 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.29 2djw h GLU 50 CO 0.01 0.11 0.00 0.39 -0.00 0.00 0.00 179.01 179.52 2djw n GLU 51 N -3.98 0.01 0.27 1.06 1.02 -1.13 0.02 120.64 117.91 2djw n GLU 51 Ca -0.02 0.41 0.17 0.00 -0.02 0.00 0.00 57.16 57.70 2djw n GLU 51 Cb 0.20 -1.50 0.70 0.00 -0.02 0.00 0.00 31.44 30.82 2djw n GLU 51 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2djw h LEU 52 N 0.00 0.00 -0.44 -4.62 3.38 -1.71 -0.91 115.31 111.02 2djw h LEU 52 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2djw h LEU 52 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2djw h LEU 52 CO 0.00 0.00 0.05 -0.78 0.09 0.00 0.00 178.44 177.80 2djw h ASP 53 N 0.00 0.71 0.01 -0.43 3.58 -0.64 0.16 116.42 119.81 2djw h ASP 53 Ca 0.00 -0.27 -0.16 0.00 0.42 0.00 0.00 57.03 57.02 2djw h ASP 53 Cb 0.48 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.36 2djw h ASP 53 CO 0.00 0.80 -0.64 0.44 -2.88 0.00 0.00 179.24 176.97 2djw h ASP 54 N 0.59 0.54 0.08 2.28 3.32 -1.58 -1.86 116.42 119.79 2djw h ASP 54 Ca 0.13 -0.77 -0.13 0.00 0.02 0.00 0.00 57.03 56.27 2djw h ASP 54 Cb 0.41 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.81 2djw h ASP 54 CO 0.01 1.25 -0.56 0.58 -1.72 0.00 0.00 179.24 178.80 2djw h VAL 55 N -0.11 1.56 0.00 -1.35 2.07 -1.25 0.34 116.25 117.51 2djw h VAL 55 Ca -0.08 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.07 2djw h VAL 55 Cb 1.36 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 34.23 2djw h VAL 55 CO 0.12 0.66 -0.17 0.52 0.02 0.00 0.00 177.57 178.72 2djw n VAL 56 N -4.28 0.34 -0.26 2.57 0.31 0.51 -1.29 118.33 116.23 2djw n VAL 56 Ca -0.12 0.43 0.06 0.00 -0.01 0.00 0.00 64.34 64.70 2djw n VAL 56 Cb 0.70 -1.70 0.19 0.00 -0.91 0.00 0.00 33.84 32.12 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 -0.23 0.55 0.00 2.52 2.02 -1.38 0.21 112.91 116.60 2djw h THR 57 Ca 0.00 -0.11 -0.24 0.00 0.77 0.00 0.00 66.41 66.83 2djw h THR 57 Cb 0.17 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 2djw h THR 57 CO 0.00 0.06 -1.78 0.00 0.37 0.00 0.00 175.52 174.17 2djw n GLN 58 N -5.11 0.53 -0.31 6.66 6.02 -0.70 -3.66 117.38 120.81 2djw n GLN 58 Ca 0.15 0.22 0.02 0.00 -0.01 0.00 0.00 57.00 57.38 2djw n GLN 58 Cb 0.47 -1.40 0.16 0.00 1.02 0.00 0.00 30.24 30.49 2djw n GLN 58 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2djw h GLY 59 N -0.93 1.32 0.00 1.08 0.00 -0.18 -3.22 103.07 101.13 2djw h GLY 59 Ca -0.37 -0.36 -0.28 0.00 0.00 0.00 0.00 47.33 46.32 2djw h GLY 59 CO -0.22 0.20 -1.93 1.39 0.00 0.00 0.00 176.54 175.98 2djw n ILE 60 N -4.67 0.91 0.34 2.60 5.41 -0.42 -4.45 119.36 119.09 2djw n ILE 60 Ca 0.13 -0.24 0.13 0.00 1.00 0.00 0.00 62.75 63.77 2djw n ILE 60 Cb 0.23 -1.67 0.55 0.00 -0.71 0.00 0.00 39.64 38.04 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 -0.55 0.00 0.00 1.39 3.38 -0.70 -2.41 115.31 116.42 2djw h LEU 61 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2djw h LEU 61 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 2djw h LEU 61 CO -0.24 0.00 -0.50 0.77 0.09 0.00 0.00 178.44 178.55 2djw h SER 62 N 0.00 0.00 -3.92 -0.43 4.64 -1.65 -3.46 113.55 108.73 2djw h SER 62 Ca 0.00 -0.05 -0.51 0.00 -0.47 0.00 0.00 61.79 60.76 2djw h SER 62 Cb 0.31 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.45 2djw h SER 62 CO 0.00 0.02 0.52 -0.76 -0.87 0.00 0.00 176.83 175.74 2djw s LEU 63 N -5.29 4.26 0.00 5.97 1.43 -0.91 -4.99 118.68 119.16 2djw s LEU 63 Ca 0.04 2.39 -0.24 0.00 -1.03 0.00 0.00 54.13 55.29 2djw s LEU 63 Cb 0.09 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 2djw s LEU 63 CO 0.72 -0.60 0.72 -1.83 0.23 0.00 0.00 176.35 175.58 2djw s GLU 64 N -2.14 4.44 0.00 1.70 4.04 -1.26 -3.77 118.70 121.71 2djw s GLU 64 Ca 0.55 0.95 0.00 0.00 0.04 0.00 0.00 54.97 56.51 2djw s GLU 64 Cb -0.32 -3.38 0.00 0.00 0.02 0.00 0.00 34.13 30.44 2djw s GLU 64 CO 0.41 0.23 0.00 0.41 -1.84 0.00 0.00 175.26 174.47 2djw n GLY 65 N 2.62 0.93 3.50 -3.83 0.00 -1.26 -4.99 105.19 102.16 2djw n GLY 65 Ca -0.03 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2djw n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2djw s VAL 66 N -2.00 4.39 -0.22 1.61 -7.23 -1.25 -1.10 120.40 114.59 2djw s VAL 66 Ca 0.00 -0.16 -0.02 0.00 -1.81 0.00 0.00 61.98 59.99 2djw s VAL 66 Cb 0.00 -3.02 -0.19 0.00 0.56 0.00 0.00 36.38 33.73 2djw s VAL 66 CO 0.00 0.39 -0.08 -0.62 -0.31 0.00 0.00 175.10 174.48 2djw n GLU 67 N 4.39 0.67 -3.77 4.82 1.02 -0.06 -5.00 120.64 122.72 2djw n GLU 67 Ca -0.16 0.20 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 2djw n GLU 67 Cb 0.52 -1.57 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 2djw n GLU 67 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2djw s ARG 68 N -2.52 0.68 0.02 3.49 1.81 -1.15 -5.03 118.95 116.24 2djw s ARG 68 Ca -0.32 -0.25 0.00 0.00 -1.72 0.00 0.00 55.73 53.44 2djw s ARG 68 Cb 0.09 0.30 -0.01 0.00 -0.45 0.00 0.00 34.95 34.87 2djw s ARG 68 CO 0.63 -0.19 -0.03 0.99 -0.68 0.00 0.00 175.30 176.03 2djw s THR 69 N -1.52 0.12 -0.07 0.02 2.01 -1.26 -1.02 115.64 113.92 2djw s THR 69 Ca -0.12 -0.68 -0.03 0.00 0.31 0.00 0.00 61.69 61.17 2djw s THR 69 Cb -0.05 -0.22 0.04 0.00 0.01 0.00 0.00 72.50 72.28 2djw s THR 69 CO 0.03 -0.36 0.14 -0.70 -0.69 0.00 0.00 174.62 173.04 2djw s GLU 70 N -1.08 0.06 -0.21 4.92 2.12 -0.31 -4.98 118.70 119.21 2djw s GLU 70 Ca -0.11 0.42 -0.07 0.00 0.36 0.00 0.00 54.97 55.58 2djw s GLU 70 Cb -0.07 -0.23 -0.03 0.00 0.26 0.00 0.00 34.13 34.05 2djw s GLU 70 CO -0.01 -0.22 0.05 0.99 -0.54 0.00 0.00 175.26 175.53 2djw s THR 71 N 1.59 4.36 -0.48 -1.70 2.01 -1.26 -0.70 115.64 119.46 2djw s THR 71 Ca -0.04 -0.17 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 2djw s THR 71 Cb -0.12 -3.00 0.11 0.00 0.01 0.00 0.00 72.50 69.50 2djw s THR 71 CO -0.06 0.40 0.38 -0.76 -0.69 0.00 0.00 174.62 173.90 2djw s LEU 72 N 1.03 5.72 -0.27 4.42 1.02 -0.20 -4.99 118.68 125.42 2djw s LEU 72 Ca 0.03 -1.69 -0.24 0.00 0.02 0.00 0.00 54.13 52.26 2djw s LEU 72 Cb -0.14 -2.10 -0.00 0.00 0.02 0.00 0.00 46.19 43.97 2djw s LEU 72 CO 0.03 -0.70 0.80 -0.22 0.02 0.00 0.00 176.35 176.27 2djw s LEU 73 N 1.50 4.08 -0.08 1.79 2.96 -1.26 -1.91 118.68 125.75 2djw s LEU 73 Ca 0.04 0.87 -0.30 0.00 -0.22 0.00 0.00 54.13 54.52 2djw s LEU 73 Cb -0.26 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 2djw s LEU 73 CO 0.02 -0.54 1.49 0.00 -1.32 0.00 0.00 176.35 176.00 2djw s ALA 74 N 2.86 3.63 -0.33 5.97 0.00 -0.47 -4.92 121.76 128.50 2djw s ALA 74 Ca 0.33 0.78 0.11 0.00 0.00 0.00 0.00 51.96 53.18 2djw s ALA 74 Cb -0.15 -3.68 -0.14 0.00 0.00 0.00 0.00 23.12 19.15 2djw s ALA 74 CO 0.09 -1.24 0.38 1.97 0.00 0.00 0.00 175.76 176.97 2djw n PHE 75 N 6.65 0.00 -3.76 0.00 1.16 -1.26 -4.48 117.46 115.77 2djw n PHE 75 Ca 0.15 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.60 2djw n PHE 75 Cb 0.44 -0.09 -0.15 0.00 -1.61 0.00 0.00 39.48 38.07 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 -2.29 0.06 0.25 3.97 3.52 -1.26 -5.15 118.95 118.05 2djw s ARG 76 Ca 0.01 0.32 -0.17 0.00 -0.13 0.00 0.00 55.73 55.77 2djw s ARG 76 Cb 0.08 -0.19 -0.08 0.00 -1.56 0.00 0.00 34.95 33.20 2djw s ARG 76 CO 0.45 -0.16 0.70 0.00 -0.81 0.00 0.00 175.30 175.48 2djw s ALA 77 N 1.11 3.40 -0.49 6.12 0.00 -1.26 -5.07 121.76 125.57 2djw s ALA 77 Ca -0.09 0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.97 2djw s ALA 77 Cb -0.11 -2.75 0.13 0.00 0.00 0.00 0.00 23.12 20.39 2djw s ALA 77 CO -0.05 0.35 0.26 0.71 0.00 0.00 0.00 175.76 177.03 2djw s TYR 78 N -1.71 2.65 0.63 0.00 2.02 -1.26 -5.13 117.35 114.55 2djw s TYR 78 Ca 0.47 -2.85 -0.14 0.00 -0.37 0.00 0.00 57.07 54.18 2djw s TYR 78 Cb -0.14 -2.39 -0.02 0.00 -0.40 0.00 0.00 41.96 39.01 2djw s TYR 78 CO 0.19 -0.75 1.05 -1.25 -1.57 0.00 0.00 175.55 173.22 2djw s PRO 79 N -0.04 3.24 0.00 -1.71 0.04 -1.26 -5.34 135.00 129.92 2djw s PRO 79 Ca 0.18 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2djw s PRO 79 Cb -0.24 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2djw s PRO 79 CO -0.01 -0.87 0.00 0.54 0.04 0.00 0.00 177.00 176.71