#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 3.85 0.06 1.12 1.01 0.62 -4.93 121.20 122.93 2djw s ILE 2 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 2djw s ILE 2 Cb 0.00 -2.74 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 2djw s ILE 2 CO 0.00 0.42 0.41 -0.89 0.00 0.00 0.00 174.94 174.88 2djw s THR 3 N 1.10 5.07 0.03 2.92 2.01 -1.26 -0.33 115.64 125.18 2djw s THR 3 Ca 0.02 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.57 2djw s THR 3 Cb -0.14 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 2djw s THR 3 CO 0.01 0.36 -0.02 0.00 -0.69 0.00 0.00 174.62 174.28 2djw s ALA 4 N -1.32 0.25 -0.25 7.40 0.00 -0.60 -1.79 121.76 125.46 2djw s ALA 4 Ca 0.31 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 2djw s ALA 4 Cb -0.15 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.20 2djw s ALA 4 CO 0.17 -0.24 -0.06 -0.06 0.00 0.00 0.00 175.76 175.57 2djw s PHE 5 N -2.39 3.08 -0.29 0.00 0.08 -0.74 -1.08 117.98 116.64 2djw s PHE 5 Ca -0.07 -1.57 -0.10 0.00 0.12 0.00 0.00 56.93 55.30 2djw s PHE 5 Cb -0.03 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 2djw s PHE 5 CO -0.04 -0.73 0.16 0.08 -0.10 0.00 0.00 175.22 174.58 2djw s VAL 6 N 1.32 4.95 -0.17 -0.44 1.01 0.12 -0.74 120.40 126.45 2djw s VAL 6 Ca -0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.80 2djw s VAL 6 Cb -0.17 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 2djw s VAL 6 CO -0.04 0.20 0.21 -0.76 0.00 0.00 0.00 175.10 174.71 2djw s LEU 7 N 1.70 4.25 -0.06 3.92 1.02 0.14 -0.78 118.68 128.87 2djw s LEU 7 Ca 0.06 0.40 0.01 0.00 0.02 0.00 0.00 54.13 54.62 2djw s LEU 7 Cb -0.16 -2.23 0.02 0.00 0.02 0.00 0.00 46.19 43.84 2djw s LEU 7 CO 0.08 0.18 -0.05 -0.63 0.02 0.00 0.00 176.35 175.95 2djw s ILE 8 N 0.19 0.68 -0.43 -0.59 1.01 -0.04 -0.97 121.20 121.06 2djw s ILE 8 Ca 0.13 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.54 2djw s ILE 8 Cb -0.12 -0.71 0.09 0.00 0.01 0.00 0.00 42.46 41.73 2djw s ILE 8 CO 0.02 0.28 0.27 -0.60 0.00 0.00 0.00 174.94 174.90 2djw s ARG 9 N 1.19 2.48 0.68 2.79 3.52 -0.09 -1.98 118.95 127.55 2djw s ARG 9 Ca -0.06 -1.59 -0.06 0.00 -0.13 0.00 0.00 55.73 53.89 2djw s ARG 9 Cb -0.14 -3.78 0.05 0.00 -1.56 0.00 0.00 34.95 29.53 2djw s ARG 9 CO -0.02 -1.03 0.98 -1.25 -0.81 0.00 0.00 175.30 173.17 2djw s PRO 10 N 1.36 2.32 0.30 5.12 0.04 -1.26 -0.39 135.00 142.48 2djw s PRO 10 Ca 0.04 -0.28 -0.29 0.00 0.04 0.00 0.00 61.00 60.51 2djw s PRO 10 Cb -0.24 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 2djw s PRO 10 CO 0.00 -1.12 1.42 0.50 0.04 0.00 0.00 177.00 177.84 2djw s ARG 11 N -5.17 4.26 0.00 4.56 3.52 0.47 -4.71 118.95 121.88 2djw s ARG 11 Ca 0.59 2.34 0.00 0.00 -0.13 0.00 0.00 55.73 58.53 2djw s ARG 11 Cb -0.11 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 2djw s ARG 11 CO 0.44 -0.38 0.31 0.41 -0.81 0.00 0.00 175.30 175.27 2djw n GLY 12 N 1.51 -1.04 0.00 8.12 0.00 -1.26 -0.74 105.19 111.78 2djw n GLY 12 Ca 0.04 0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.20 0.00 -0.28 1.61 0.23 -1.26 -2.21 115.26 111.15 2djw n ASN 13 Ca 0.00 -0.51 0.04 0.00 -0.53 0.00 0.00 54.58 53.58 2djw n ASN 13 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 2djw n ASN 13 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2djw n ARG 14 N -0.64 0.82 0.12 -3.83 5.12 0.08 -4.76 116.66 113.57 2djw n ARG 14 Ca 0.02 -0.84 -0.14 0.00 -1.93 0.00 0.00 57.85 54.97 2djw n ARG 14 Cb 0.01 -1.11 -0.08 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.36 0.00 0.29 1.55 2.07 -1.52 0.15 116.25 120.16 2djw h VAL 15 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2djw h VAL 15 Cb 0.32 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2djw h VAL 15 CO 0.00 0.00 -0.18 -0.61 0.02 0.00 0.00 177.57 176.80 2djw h GLN 16 N -0.66 -0.44 -0.64 1.57 4.15 -1.85 0.26 115.11 117.50 2djw h GLN 16 Ca -0.01 0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.49 2djw h GLN 16 Cb 0.64 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.38 2djw h GLN 16 CO -0.20 -0.29 0.34 0.00 -1.93 0.00 0.00 178.83 176.75 2djw h ALA 17 N 0.23 0.84 -0.31 3.38 0.00 -1.86 0.83 119.26 122.38 2djw h ALA 17 Ca -0.03 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2djw h ALA 17 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2djw h ALA 17 CO 0.03 0.01 -0.28 -0.07 0.00 0.00 0.00 179.25 178.94 2djw h LEU 18 N 0.64 0.64 -0.05 0.00 3.38 -0.49 -0.44 115.31 118.98 2djw h LEU 18 Ca 0.29 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2djw h LEU 18 Cb 0.19 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2djw h LEU 18 CO -0.18 0.89 0.03 1.23 0.09 0.00 0.00 178.44 180.49 2djw h GLY 19 N 1.01 0.08 0.98 0.83 0.00 0.26 0.42 103.07 106.64 2djw h GLY 19 Ca 0.07 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.38 2djw h GLY 19 CO 0.06 0.04 0.65 0.83 0.00 0.00 0.00 176.54 178.12 2djw h GLU 20 N -0.01 1.27 -0.06 4.80 5.08 -0.79 -1.98 114.58 122.88 2djw h GLU 20 Ca 0.02 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2djw h GLU 20 Cb 0.09 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 2djw h GLU 20 CO -0.00 0.84 -0.03 0.00 -1.00 0.00 0.00 179.01 178.81 2djw h ALA 21 N 1.40 0.08 -0.12 3.43 0.00 -0.94 -3.23 119.26 119.88 2djw h ALA 21 Ca 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2djw h ALA 21 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2djw h ALA 21 CO -0.10 -0.17 0.03 0.82 0.00 0.00 0.00 179.25 179.84 2djw h ILE 22 N -0.27 1.06 0.00 0.00 2.04 -0.85 -2.01 117.51 117.48 2djw h ILE 22 Ca 0.01 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 2djw h ILE 22 Cb 0.47 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2djw h ILE 22 CO 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 178.15 178.23 2djw h ALA 23 N 1.87 1.91 0.00 1.87 0.00 -1.37 -2.98 119.26 120.56 2djw h ALA 23 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2djw h ALA 23 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2djw h ALA 23 CO -0.00 0.01 -0.45 0.93 0.00 0.00 0.00 179.25 179.74 2djw h GLU 24 N 0.00 0.00 -6.67 0.00 4.39 -1.43 -3.46 114.58 107.40 2djw h GLU 24 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2djw h GLU 24 Cb 0.01 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 28.71 2djw h GLU 24 CO 0.00 0.00 0.84 -0.51 -1.16 0.00 0.00 179.01 178.18 2djw s LEU 25 N -4.42 4.37 0.25 1.33 1.43 -1.13 -4.92 118.68 115.60 2djw s LEU 25 Ca 0.07 2.66 -0.03 0.00 -1.03 0.00 0.00 54.13 55.81 2djw s LEU 25 Cb 0.13 -3.61 0.51 0.00 0.03 0.00 0.00 46.19 43.25 2djw s LEU 25 CO 0.69 -0.79 1.72 1.55 0.23 0.00 0.00 176.35 179.75 2djw h PRO 26 N 5.99 0.42 -0.00 1.29 0.13 -1.90 -2.39 132.00 135.55 2djw h PRO 26 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2djw h PRO 26 Cb 1.21 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2djw h PRO 26 CO 0.85 0.28 -0.00 1.04 -0.23 0.00 0.00 178.00 179.94 2djw n GLN 27 N -5.01 0.67 -2.89 0.86 3.00 -1.26 -4.70 117.38 108.04 2djw n GLN 27 Ca 0.16 -0.01 -0.44 0.00 -0.01 0.00 0.00 57.00 56.70 2djw n GLN 27 Cb 0.46 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.17 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 -2.34 4.60 0.21 5.09 1.01 -0.90 -1.24 120.40 126.83 2djw s VAL 28 Ca 0.36 -1.29 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 2djw s VAL 28 Cb 0.21 -4.78 0.17 0.00 0.00 0.00 0.00 36.38 31.98 2djw s VAL 28 CO 0.43 -1.52 1.83 0.00 0.00 0.00 0.00 175.10 175.84 2djw h ALA 29 N 9.04 1.03 -2.45 5.51 0.00 -1.63 -3.45 119.26 127.31 2djw h ALA 29 Ca 0.07 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2djw h ALA 29 Cb 1.03 -0.32 -0.21 0.00 0.00 0.00 0.00 17.79 18.29 2djw h ALA 29 CO 1.14 0.54 -0.13 -1.21 0.00 0.00 0.00 179.25 179.59 2djw s GLU 30 N -5.84 0.69 -0.04 0.00 2.02 -1.10 -5.02 118.70 109.40 2djw s GLU 30 Ca -0.13 0.32 -0.06 0.00 0.02 0.00 0.00 54.97 55.11 2djw s GLU 30 Cb 0.16 0.32 0.01 0.00 0.10 0.00 0.00 34.13 34.72 2djw s GLU 30 CO 0.81 -0.15 0.16 0.54 0.02 0.00 0.00 175.26 176.63 2djw s VAL 31 N -0.52 0.03 0.06 2.63 0.11 -1.26 -0.07 120.40 121.37 2djw s VAL 31 Ca -0.06 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2djw s VAL 31 Cb -0.03 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 2djw s VAL 31 CO 0.04 -0.15 0.07 -0.31 -3.33 0.00 0.00 175.10 171.42 2djw s TYR 32 N -0.47 0.31 -0.09 1.54 2.02 -0.67 -5.00 117.35 114.99 2djw s TYR 32 Ca -0.06 -0.75 -0.19 0.00 -0.37 0.00 0.00 57.07 55.71 2djw s TYR 32 Cb -0.04 -0.22 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 2djw s TYR 32 CO 0.01 -0.41 0.51 0.45 -1.57 0.00 0.00 175.55 174.53 2djw s SER 33 N -2.61 6.76 0.15 2.29 0.15 -1.26 -1.62 113.70 117.56 2djw s SER 33 Ca 0.02 0.91 0.06 0.00 0.70 0.00 0.00 55.95 57.63 2djw s SER 33 Cb 0.04 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2djw s SER 33 CO -0.08 0.03 -0.12 0.68 1.20 0.00 0.00 173.24 174.94 2djw s VAL 34 N 0.40 1.34 0.72 4.45 -7.23 -0.40 -4.98 120.40 114.70 2djw s VAL 34 Ca 0.27 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 2djw s VAL 34 Cb -0.16 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 35.01 2djw s VAL 34 CO 0.12 -0.62 1.07 0.42 -0.31 0.00 0.00 175.10 175.79 2djw s THR 35 N -2.89 3.77 0.00 5.32 -4.23 -1.26 -4.57 115.64 111.78 2djw s THR 35 Ca 0.16 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 2djw s THR 35 Cb -0.00 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.53 2djw s THR 35 CO 0.03 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 2djw n GLY 36 N -1.96 -0.23 0.26 3.99 0.00 -1.26 -4.72 105.19 101.26 2djw n GLY 36 Ca 0.07 -2.26 0.13 0.00 0.00 0.00 0.00 46.02 43.97 2djw n GLY 36 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2djw h PRO 37 N 7.01 0.00 -6.18 1.61 0.11 -2.02 -3.42 132.00 129.10 2djw h PRO 37 Ca 0.00 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.57 2djw h PRO 37 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.05 2djw h PRO 37 CO 0.00 0.13 -0.54 0.71 -0.21 0.00 0.00 178.00 178.09 2djw s TYR 38 N -3.91 3.18 -0.14 0.65 2.02 -1.26 -4.93 117.35 112.96 2djw s TYR 38 Ca -0.01 -0.04 0.14 0.00 -0.37 0.00 0.00 57.07 56.79 2djw s TYR 38 Cb 0.11 -1.49 -0.20 0.00 -0.40 0.00 0.00 41.96 39.99 2djw s TYR 38 CO 0.58 0.52 0.08 -0.25 -1.57 0.00 0.00 175.55 174.91 2djw n ASP 39 N -0.68 1.18 -4.13 2.29 10.43 -0.84 -4.64 116.55 120.16 2djw n ASP 39 Ca -0.08 0.00 -0.15 0.00 2.57 0.00 0.00 54.79 57.13 2djw n ASP 39 Cb 0.56 0.97 -0.11 0.00 1.84 0.00 0.00 41.12 44.37 2djw n ASP 39 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2djw s LEU 40 N -5.05 2.30 -0.05 0.64 1.43 -0.86 -1.28 118.68 115.81 2djw s LEU 40 Ca -0.07 -0.64 0.01 0.00 -1.03 0.00 0.00 54.13 52.40 2djw s LEU 40 Cb 0.05 -0.31 0.02 0.00 0.03 0.00 0.00 46.19 45.98 2djw s LEU 40 CO 0.64 -0.18 -0.07 -0.69 0.23 0.00 0.00 176.35 176.28 2djw s VAL 41 N -1.62 0.73 -0.12 -1.59 1.01 -0.64 -0.86 120.40 117.31 2djw s VAL 41 Ca -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2djw s VAL 41 Cb -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2djw s VAL 41 CO 0.01 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.38 2djw s ALA 42 N 0.88 3.24 -0.20 5.51 0.00 0.04 -1.67 121.76 129.56 2djw s ALA 42 Ca -0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 50.96 2djw s ALA 42 Cb -0.15 -1.59 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 2djw s ALA 42 CO 0.01 0.42 0.11 -1.17 0.00 0.00 0.00 175.76 175.12 2djw s LEU 43 N -0.33 4.06 -0.01 0.00 2.96 0.89 0.10 118.68 126.36 2djw s LEU 43 Ca 0.07 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.18 2djw s LEU 43 Cb -0.12 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 2djw s LEU 43 CO 0.02 0.16 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.39 2djw s VAL 44 N 0.45 1.06 -0.14 1.68 1.01 -0.24 -1.76 120.40 122.46 2djw s VAL 44 Ca 0.06 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.47 2djw s VAL 44 Cb -0.12 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.38 2djw s VAL 44 CO -0.01 0.29 -0.18 -0.13 0.00 0.00 0.00 175.10 175.07 2djw s ARG 45 N -0.34 3.17 0.07 2.72 1.81 -0.37 -1.55 118.95 124.46 2djw s ARG 45 Ca 0.05 -0.79 0.08 0.00 -1.72 0.00 0.00 55.73 53.35 2djw s ARG 45 Cb -0.05 -2.52 -0.03 0.00 -0.45 0.00 0.00 34.95 31.90 2djw s ARG 45 CO -0.00 0.08 -0.22 -0.51 -0.68 0.00 0.00 175.30 173.96 2djw s LEU 46 N 0.64 2.23 0.08 2.53 1.43 0.55 -4.73 118.68 121.41 2djw s LEU 46 Ca -0.09 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 2djw s LEU 46 Cb -0.16 -0.99 -0.25 0.00 0.03 0.00 0.00 46.19 44.82 2djw s LEU 46 CO 0.02 0.13 1.16 0.07 0.23 0.00 0.00 176.35 177.96 2djw h LYS 47 N 4.51 0.15 -4.20 1.70 2.10 -1.96 0.18 116.57 119.04 2djw h LYS 47 Ca -0.45 -0.26 -0.15 0.00 -2.00 0.00 0.00 60.65 57.79 2djw h LYS 47 Cb 1.17 0.10 -0.17 0.00 -0.90 0.00 0.00 32.23 32.42 2djw h LYS 47 CO 0.42 1.10 -0.69 0.34 -2.00 0.00 0.00 179.45 178.62 2djw s ASP 48 N -6.92 0.47 0.50 7.07 -1.08 -1.26 -4.72 116.67 110.73 2djw s ASP 48 Ca -0.02 -0.80 0.28 0.00 -0.52 0.00 0.00 52.55 51.49 2djw s ASP 48 Cb 0.08 0.15 1.21 0.00 -1.46 0.00 0.00 42.92 42.91 2djw s ASP 48 CO 0.85 -0.47 1.94 -0.37 0.52 0.00 0.00 175.17 177.65 2djw h VAL 49 N 3.72 0.36 -0.76 1.11 -1.51 -1.96 -2.98 116.25 114.23 2djw h VAL 49 Ca -0.33 -0.78 0.16 0.00 -1.23 0.00 0.00 66.70 64.51 2djw h VAL 49 Cb 1.17 1.58 -0.05 0.00 -2.13 0.00 0.00 31.29 31.86 2djw h VAL 49 CO 0.56 0.13 0.51 -0.08 -1.23 0.00 0.00 177.57 177.46 2djw h GLU 50 N 0.00 0.34 0.00 5.19 4.22 -2.01 -1.85 114.58 120.47 2djw h GLU 50 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2djw h GLU 50 Cb 0.57 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2djw h GLU 50 CO 0.02 0.23 0.09 0.39 -2.18 0.00 0.00 179.01 177.56 2djw n GLU 51 N -4.46 0.08 0.29 1.92 1.02 -1.13 0.62 120.64 118.99 2djw n GLU 51 Ca 0.15 0.55 0.18 0.00 -0.02 0.00 0.00 57.16 58.02 2djw n GLU 51 Cb 0.58 -1.86 0.88 0.00 -0.02 0.00 0.00 31.44 31.02 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 0.37 -4.62 3.38 -1.57 0.13 115.31 113.00 2djw h LEU 52 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2djw h LEU 52 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2djw h LEU 52 CO 0.00 0.04 -0.18 -0.78 0.09 0.00 0.00 178.44 177.61 2djw h ASP 53 N 0.00 -0.42 0.28 -0.43 3.58 -0.04 0.98 116.42 120.38 2djw h ASP 53 Ca -0.00 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.35 2djw h ASP 53 Cb 0.28 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2djw h ASP 53 CO 0.01 -0.15 -0.13 0.44 -2.88 0.00 0.00 179.24 176.52 2djw h ASP 54 N -0.68 -0.32 0.03 2.28 3.32 -1.50 -0.48 116.42 119.07 2djw h ASP 54 Ca -0.05 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.82 2djw h ASP 54 Cb 0.48 0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.13 2djw h ASP 54 CO 0.08 -0.20 -0.67 1.62 -1.72 0.00 0.00 179.24 178.36 2djw h VAL 55 N -0.41 1.44 0.00 -1.35 3.04 -0.84 0.71 116.25 118.85 2djw h VAL 55 Ca -0.04 -2.19 -0.06 0.00 -1.01 0.00 0.00 66.70 63.41 2djw h VAL 55 Cb 0.31 2.73 -0.01 0.00 -2.01 0.00 0.00 31.29 32.31 2djw h VAL 55 CO 0.06 0.63 -0.87 0.52 -1.01 0.00 0.00 177.57 176.91 2djw n VAL 56 N -4.19 1.46 0.29 1.51 0.31 0.31 -0.95 118.33 117.07 2djw n VAL 56 Ca -0.11 0.13 -0.16 0.00 -0.01 0.00 0.00 64.34 64.18 2djw n VAL 56 Cb 0.71 -2.31 -0.08 0.00 -0.91 0.00 0.00 33.84 31.25 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 0.44 0.00 2.52 2.02 -1.24 0.35 112.91 116.00 2djw h THR 57 Ca -0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2djw h THR 57 Cb 0.81 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2djw h THR 57 CO -0.05 0.00 -0.07 1.56 0.37 0.00 0.00 175.52 177.33 2djw h GLN 58 N -0.72 0.00 -0.37 6.66 4.20 -1.18 -3.22 115.11 120.48 2djw h GLN 58 Ca -0.06 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.72 2djw h GLN 58 Cb 0.57 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 28.27 2djw h GLN 58 CO 0.09 0.00 -0.14 0.78 -0.67 0.00 0.00 178.83 178.89 2djw h GLY 59 N -0.60 0.18 0.00 3.46 0.00 0.52 -3.15 103.07 103.49 2djw h GLY 59 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 47.33 47.08 2djw h GLY 59 CO 0.00 -0.17 -2.49 1.39 0.00 0.00 0.00 176.54 175.27 2djw n ILE 60 N -5.33 1.48 0.53 2.60 5.41 -0.12 -4.46 119.36 119.46 2djw n ILE 60 Ca 0.02 -0.45 0.11 0.00 1.00 0.00 0.00 62.75 63.43 2djw n ILE 60 Cb 0.24 -1.69 0.43 0.00 -0.71 0.00 0.00 39.64 37.91 2djw n ILE 60 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2djw n LEU 61 N -3.85 0.39 -0.15 1.39 4.77 0.12 -2.15 117.00 117.51 2djw n LEU 61 Ca -0.50 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 2djw n LEU 61 Cb 0.92 -0.51 0.44 0.00 -2.33 0.00 0.00 43.42 41.94 2djw n LEU 61 CO 0.11 -0.34 0.70 -1.54 -1.33 0.00 0.00 177.39 174.99 2djw n SER 62 N -1.91 0.72 -4.79 -1.43 3.41 -1.19 -4.86 113.62 103.57 2djw n SER 62 Ca 0.04 -0.62 -0.38 0.00 -0.26 0.00 0.00 58.87 57.64 2djw n SER 62 Cb 0.25 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 2djw n SER 62 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2djw s LEU 63 N -2.60 4.52 0.26 1.04 1.43 -0.91 -5.03 118.68 117.39 2djw s LEU 63 Ca 0.23 1.55 -0.24 0.00 -1.03 0.00 0.00 54.13 54.63 2djw s LEU 63 Cb 0.19 -3.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.00 2djw s LEU 63 CO 0.54 0.17 0.85 -1.83 0.23 0.00 0.00 176.35 176.31 2djw s GLU 64 N -1.35 4.51 0.00 1.70 4.04 -1.26 -3.58 118.70 122.76 2djw s GLU 64 Ca 0.37 1.17 0.00 0.00 0.04 0.00 0.00 54.97 56.55 2djw s GLU 64 Cb -0.21 -2.95 0.00 0.00 0.02 0.00 0.00 34.13 30.99 2djw s GLU 64 CO 0.24 0.39 0.00 0.41 -1.84 0.00 0.00 175.26 174.46 2djw n GLY 65 N 0.88 1.79 3.59 -3.83 0.00 -1.26 -4.98 105.19 101.37 2djw n GLY 65 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.49 3.93 -0.15 1.61 -7.23 -1.23 0.18 120.40 115.01 2djw s VAL 66 Ca 0.00 0.86 -0.24 0.00 -1.81 0.00 0.00 61.98 60.79 2djw s VAL 66 Cb 0.00 -4.50 -0.24 0.00 0.56 0.00 0.00 36.38 32.20 2djw s VAL 66 CO 0.00 -1.12 0.55 -0.33 -0.31 0.00 0.00 175.10 173.89 2djw h GLU 67 N 10.31 0.06 -4.51 4.82 5.08 -1.00 -3.48 114.58 125.86 2djw h GLU 67 Ca -0.26 -0.11 -0.22 0.00 -1.00 0.00 0.00 59.36 57.77 2djw h GLU 67 Cb 1.08 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 30.19 2djw h GLU 67 CO 1.16 1.05 -0.71 1.03 -1.00 0.00 0.00 179.01 180.54 2djw s ARG 68 N -2.33 0.66 -0.05 2.33 1.81 -0.97 -5.01 118.95 115.40 2djw s ARG 68 Ca -0.22 -1.07 -0.06 0.00 -1.72 0.00 0.00 55.73 52.66 2djw s ARG 68 Cb 0.02 -0.15 0.01 0.00 -0.45 0.00 0.00 34.95 34.37 2djw s ARG 68 CO 0.68 -0.01 0.16 0.99 -0.68 0.00 0.00 175.30 176.44 2djw s THR 69 N -2.74 0.02 -0.13 0.02 2.01 -1.26 -0.91 115.64 112.66 2djw s THR 69 Ca 0.02 -0.18 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 2djw s THR 69 Cb -0.01 -0.29 0.06 0.00 0.01 0.00 0.00 72.50 72.27 2djw s THR 69 CO -0.03 -0.10 0.28 -0.70 -0.69 0.00 0.00 174.62 173.38 2djw s GLU 70 N -0.29 0.20 -0.22 4.92 2.12 -0.14 -4.99 118.70 120.31 2djw s GLU 70 Ca -0.04 0.67 -0.06 0.00 0.36 0.00 0.00 54.97 55.91 2djw s GLU 70 Cb -0.03 -0.05 -0.03 0.00 0.26 0.00 0.00 34.13 34.28 2djw s GLU 70 CO 0.01 -0.22 0.03 0.99 -0.54 0.00 0.00 175.26 175.53 2djw s THR 71 N 1.84 4.12 -0.53 -1.70 2.01 -1.26 0.28 115.64 120.39 2djw s THR 71 Ca -0.04 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.57 2djw s THR 71 Cb -0.11 -2.89 0.13 0.00 0.01 0.00 0.00 72.50 69.64 2djw s THR 71 CO -0.09 0.40 0.47 -0.76 -0.69 0.00 0.00 174.62 173.94 2djw s LEU 72 N 1.20 6.07 -0.13 4.42 1.02 0.08 -4.97 118.68 126.37 2djw s LEU 72 Ca 0.04 -1.88 -0.25 0.00 0.02 0.00 0.00 54.13 52.06 2djw s LEU 72 Cb -0.14 -2.15 -0.02 0.00 0.02 0.00 0.00 46.19 43.89 2djw s LEU 72 CO 0.02 -0.80 0.78 -0.22 0.02 0.00 0.00 176.35 176.16 2djw s LEU 73 N 1.45 4.23 -0.07 1.79 2.96 -1.26 -1.79 118.68 125.98 2djw s LEU 73 Ca 0.05 1.18 -0.30 0.00 -0.22 0.00 0.00 54.13 54.84 2djw s LEU 73 Cb -0.28 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 2djw s LEU 73 CO 0.01 -0.29 1.06 0.00 -1.32 0.00 0.00 176.35 175.81 2djw s ALA 74 N 1.64 3.40 -0.41 5.97 0.00 -0.74 -4.93 121.76 126.70 2djw s ALA 74 Ca 0.38 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2djw s ALA 74 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 2djw s ALA 74 CO 0.15 -0.60 0.37 1.97 0.00 0.00 0.00 175.76 177.66 2djw n PHE 75 N 4.89 0.00 -3.69 0.00 1.16 -1.26 -4.52 117.46 114.04 2djw n PHE 75 Ca 0.09 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.57 2djw n PHE 75 Cb 0.48 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.25 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 -1.19 0.41 0.07 3.97 3.52 -1.26 -5.16 118.95 119.31 2djw s ARG 76 Ca 0.04 0.83 -0.13 0.00 -0.13 0.00 0.00 55.73 56.34 2djw s ARG 76 Cb 0.04 0.01 -0.06 0.00 -1.56 0.00 0.00 34.95 33.38 2djw s ARG 76 CO 0.17 -0.16 0.45 0.00 -0.81 0.00 0.00 175.30 174.95 2djw s ALA 77 N 1.49 3.67 -0.53 6.12 0.00 -1.26 -5.06 121.76 126.19 2djw s ALA 77 Ca -0.09 -0.24 0.02 0.00 0.00 0.00 0.00 51.96 51.65 2djw s ALA 77 Cb -0.08 -2.39 0.13 0.00 0.00 0.00 0.00 23.12 20.78 2djw s ALA 77 CO -0.13 0.50 0.28 0.71 0.00 0.00 0.00 175.76 177.12 2djw s TYR 78 N -1.29 3.27 0.00 0.00 2.02 -1.26 -5.11 117.35 114.98 2djw s TYR 78 Ca 0.31 -3.06 0.00 0.00 -0.37 0.00 0.00 57.07 53.95 2djw s TYR 78 Cb -0.15 -2.91 0.00 0.00 -0.40 0.00 0.00 41.96 38.49 2djw s TYR 78 CO 0.17 -0.78 0.00 -0.35 -1.57 0.00 0.00 175.55 173.02 2djw n PRO 79 N 3.27 0.24 -0.74 -1.71 -0.04 -1.26 -5.34 135.00 129.42 2djw n PRO 79 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2djw n PRO 79 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 2djw n PRO 79 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33