#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2be5 s GLU 3 N 0.00 3.74 0.11 0.00 0.41 -1.26 -5.02 118.70 116.68 2be5 s GLU 3 Ca 0.00 0.23 -0.36 0.00 -0.41 0.00 0.00 54.97 54.43 2be5 s GLU 3 Cb 0.00 -2.59 -0.16 0.00 -1.78 0.00 0.00 34.13 29.60 2be5 s GLU 3 CO 0.00 0.20 1.41 -2.30 -0.49 0.00 0.00 175.26 174.08 2be5 n PRO 4 N -0.67 1.44 -3.18 0.39 -0.02 -1.26 -3.31 135.00 128.39 2be5 n PRO 4 Ca 0.00 0.52 -0.12 0.00 -2.02 0.00 0.00 63.50 61.88 2be5 n PRO 4 Cb 0.53 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 2be5 n PRO 4 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2be5 n GLY 5 N 2.78 -0.05 0.25 -1.23 0.00 -1.26 -4.78 105.19 100.90 2be5 n GLY 5 Ca 0.18 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.33 2be5 n GLY 5 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2be5 h ILE 6 N -0.10 1.06 0.13 -0.61 6.09 -1.98 -0.13 117.51 121.96 2be5 h ILE 6 Ca -0.26 -0.25 -0.01 0.00 -1.37 0.00 0.00 64.86 62.98 2be5 h ILE 6 Cb 0.55 1.10 0.00 0.00 0.47 0.00 0.00 36.82 38.93 2be5 h ILE 6 CO 0.28 0.08 -0.06 0.44 -3.07 0.00 0.00 178.15 175.82 2be5 h ASP 7 N 0.04 -0.14 -0.79 2.19 3.32 -1.89 0.56 116.42 119.70 2be5 h ASP 7 Ca 0.01 -0.34 0.16 0.00 0.02 0.00 0.00 57.03 56.88 2be5 h ASP 7 Cb 0.12 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 39.61 2be5 h ASP 7 CO 0.01 0.29 0.32 0.11 -1.72 0.00 0.00 179.24 178.24 2be5 h LYS 8 N -0.61 0.42 0.68 3.56 1.57 -1.77 0.24 116.57 120.66 2be5 h LYS 8 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2be5 h LYS 8 Cb 0.47 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.69 2be5 h LYS 8 CO 0.03 0.28 -0.32 -0.07 -0.57 0.00 0.00 179.45 178.79 2be5 h LEU 9 N 0.44 -0.77 -0.93 2.94 3.38 -0.93 -2.70 115.31 116.74 2be5 h LEU 9 Ca 0.45 -0.01 0.27 0.00 0.09 0.00 0.00 57.88 58.68 2be5 h LEU 9 Cb 0.72 0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.53 2be5 h LEU 9 CO -0.44 -0.47 0.36 -0.26 0.09 0.00 0.00 178.44 177.73 2be5 h PHE 10 N -1.05 0.57 -0.50 1.13 0.05 -0.12 0.89 116.94 117.91 2be5 h PHE 10 Ca -0.09 0.05 -0.06 0.00 3.82 0.00 0.00 57.97 61.68 2be5 h PHE 10 Cb 0.73 -0.10 -0.02 0.00 2.00 0.00 0.00 35.95 38.56 2be5 h PHE 10 CO -0.01 -0.19 0.07 0.78 -0.18 0.00 0.00 178.31 178.77 2be5 h GLY 11 N 0.26 0.84 0.91 -1.45 0.00 -0.84 -2.79 103.07 100.00 2be5 h GLY 11 Ca 0.62 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2be5 h GLY 11 CO -0.64 0.48 0.00 1.03 0.00 0.00 0.00 176.54 177.41 2be5 n MET 12 N -4.25 0.59 -4.45 4.80 2.81 0.30 -4.75 117.12 112.18 2be5 n MET 12 Ca 0.03 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.67 2be5 n MET 12 Cb 0.26 -1.46 -0.13 0.00 -0.71 0.00 0.00 33.22 31.18 2be5 n MET 12 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2be5 s VAL 13 N -2.00 1.75 0.24 2.03 -7.23 -1.05 -5.03 120.40 109.11 2be5 s VAL 13 Ca 0.26 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 2be5 s VAL 13 Cb 0.12 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.51 2be5 s VAL 13 CO 0.20 0.07 1.62 -2.24 -0.31 0.00 0.00 175.10 174.44 2be5 h ASP 14 N 4.39 0.48 -4.01 4.85 2.03 -1.85 -3.44 116.42 118.88 2be5 h ASP 14 Ca -0.45 -0.22 -0.41 0.00 -0.73 0.00 0.00 57.03 55.22 2be5 h ASP 14 Cb 1.17 -0.14 -0.29 0.00 -0.83 0.00 0.00 39.33 39.24 2be5 h ASP 14 CO 0.41 0.85 -0.79 -0.55 -1.03 0.00 0.00 179.24 178.13 2be5 s SER 15 N -6.86 1.17 0.15 4.15 0.15 -1.26 -5.05 113.70 106.15 2be5 s SER 15 Ca -0.06 -0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.17 2be5 s SER 15 Cb 0.13 -0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 2be5 s SER 15 CO 0.81 0.11 1.62 0.50 1.20 0.00 0.00 173.24 177.47 2be5 h LYS 16 N 6.01 -0.29 0.00 5.44 3.64 -1.88 -0.81 116.57 128.68 2be5 h LYS 16 Ca -0.32 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2be5 h LYS 16 Cb 1.17 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2be5 h LYS 16 CO 0.49 -0.20 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 2be5 n TYR 17 N -5.40 0.10 0.01 1.91 4.01 -1.26 -1.83 117.16 114.71 2be5 n TYR 17 Ca -0.01 0.05 -0.19 0.00 -0.16 0.00 0.00 57.90 57.59 2be5 n TYR 17 Cb 0.31 -0.57 -0.14 0.00 -0.31 0.00 0.00 39.34 38.63 2be5 n TYR 17 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 2be5 h ARG 18 N 0.00 0.21 -0.82 -0.72 2.43 -1.57 -3.24 114.38 110.67 2be5 h ARG 18 Ca 0.00 -0.36 0.17 0.00 -0.81 0.00 0.00 59.98 58.98 2be5 h ARG 18 Cb 0.13 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 29.71 2be5 h ARG 18 CO 0.00 1.17 0.35 1.25 -1.51 0.00 0.00 179.97 181.23 2be5 h LEU 19 N -0.55 0.32 -0.64 3.80 5.85 -1.23 0.11 115.31 122.97 2be5 h LEU 19 Ca -0.12 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2be5 h LEU 19 Cb 1.47 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 2be5 h LEU 19 CO 0.10 0.08 0.41 0.74 -0.34 0.00 0.00 178.44 179.43 2be5 h THR 20 N 0.45 1.13 -0.37 1.05 2.02 -1.66 -2.36 112.91 113.17 2be5 h THR 20 Ca 0.47 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 2be5 h THR 20 Cb 0.79 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 2be5 h THR 20 CO -0.45 0.15 0.16 0.58 0.37 0.00 0.00 175.52 176.33 2be5 h VAL 21 N 0.83 1.18 0.36 3.16 2.07 -0.87 -2.07 116.25 120.90 2be5 h VAL 21 Ca 0.24 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 2be5 h VAL 21 Cb -0.05 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2be5 h VAL 21 CO -0.07 0.19 -0.25 0.58 0.02 0.00 0.00 177.57 178.04 2be5 h VAL 22 N 0.45 0.00 -0.64 2.57 2.07 -1.00 -0.18 116.25 119.52 2be5 h VAL 22 Ca 0.12 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.76 2be5 h VAL 22 Cb 0.16 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.81 2be5 h VAL 22 CO -0.01 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.84 2be5 h VAL 23 N -0.57 0.17 -0.83 2.57 2.07 -1.46 0.24 116.25 118.45 2be5 h VAL 23 Ca -0.05 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2be5 h VAL 23 Cb 0.47 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 2be5 h VAL 23 CO 0.03 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.15 2be5 h ALA 24 N 1.11 1.10 0.00 1.67 0.00 -1.34 0.23 119.26 122.03 2be5 h ALA 24 Ca 0.25 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2be5 h ALA 24 Cb 0.55 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2be5 h ALA 24 CO -0.71 0.36 -0.40 -0.22 0.00 0.00 0.00 179.25 178.28 2be5 h LYS 25 N 1.03 0.00 -0.08 0.00 3.64 0.77 -2.17 116.57 119.77 2be5 h LYS 25 Ca 0.33 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.56 2be5 h LYS 25 Cb 0.02 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2be5 h LYS 25 CO -0.12 0.40 -0.55 -0.09 -2.27 0.00 0.00 179.45 176.83 2be5 h ARG 26 N 0.00 0.51 -0.75 1.90 9.65 0.23 -2.93 114.38 122.98 2be5 h ARG 26 Ca -0.00 -0.44 0.05 0.00 -1.10 0.00 0.00 59.98 58.48 2be5 h ARG 26 Cb 0.97 0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.61 2be5 h ARG 26 CO 0.05 1.08 0.49 0.00 2.80 0.00 0.00 179.97 184.39 2be5 h ALA 27 N 0.44 1.62 0.68 2.80 0.00 -0.46 0.40 119.26 124.74 2be5 h ALA 27 Ca -0.05 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2be5 h ALA 27 Cb 1.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2be5 h ALA 27 CO 0.11 0.28 -0.42 1.96 0.00 0.00 0.00 179.25 181.18 2be5 h GLN 28 N 0.85 -1.00 -0.02 0.00 4.20 -1.33 -2.71 115.11 115.09 2be5 h GLN 28 Ca 0.31 0.07 -0.04 0.00 0.06 0.00 0.00 58.65 59.05 2be5 h GLN 28 Cb 0.16 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 2be5 h GLN 28 CO -0.10 -0.67 -0.16 -0.56 -0.67 0.00 0.00 178.83 176.67 2be5 h GLN 29 N -1.04 0.04 -0.92 1.46 3.07 -1.30 -1.68 115.11 114.74 2be5 h GLN 29 Ca -0.09 -0.01 0.07 0.00 0.09 0.00 0.00 58.65 58.72 2be5 h GLN 29 Cb 0.84 -0.01 -0.06 0.00 0.08 0.00 0.00 27.48 28.33 2be5 h GLN 29 CO 0.09 0.20 0.60 1.25 0.09 0.00 0.00 178.83 181.05 2be5 h LEU 30 N 0.03 0.91 0.00 0.06 5.85 -0.61 -2.85 115.31 118.69 2be5 h LEU 30 Ca 0.01 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2be5 h LEU 30 Cb 0.31 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2be5 h LEU 30 CO 0.02 0.57 -0.44 -0.07 -0.34 0.00 0.00 178.44 178.18 2be5 h LEU 31 N 1.02 0.00 0.15 2.25 3.38 -1.18 -2.80 115.31 118.13 2be5 h LEU 31 Ca 0.40 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2be5 h LEU 31 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2be5 h LEU 31 CO -0.16 0.98 -0.38 0.03 0.09 0.00 0.00 178.44 179.00 2be5 h ARG 32 N -1.00 -0.56 0.00 1.13 -0.00 -1.33 -2.50 114.38 110.12 2be5 h ARG 32 Ca -0.10 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 2be5 h ARG 32 Cb 0.78 0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.88 2be5 h ARG 32 CO -0.06 -0.38 0.00 0.72 0.00 0.00 0.00 179.97 180.26 2be5 n HIS 33 N -4.62 0.00 0.00 3.04 8.25 -1.08 -4.84 115.22 115.97 2be5 n HIS 33 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2be5 n HIS 33 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 2be5 n HIS 33 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2be5 n GLY 34 N 0.25 3.28 0.00 -1.41 0.00 -0.94 -4.46 105.19 101.91 2be5 n GLY 34 Ca 0.12 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.69 2be5 n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2be5 n PHE 35 N 0.22 0.00 1.46 1.61 7.35 -1.06 -2.86 117.46 124.19 2be5 n PHE 35 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 2be5 n PHE 35 Cb 0.00 -0.37 0.21 0.00 0.35 0.00 0.00 39.48 39.68 2be5 n PHE 35 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2be5 n LYS 36 N -1.37 1.42 -0.62 -4.13 4.76 -1.26 -4.46 118.16 112.50 2be5 n LYS 36 Ca 0.10 -0.65 -0.17 0.00 -2.87 0.00 0.00 58.31 54.72 2be5 n LYS 36 Cb 0.23 -1.22 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 2be5 n LYS 36 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2be5 n ASN 37 N -0.03 4.01 -4.53 4.39 4.13 -1.13 -4.83 115.26 117.28 2be5 n ASN 37 Ca 0.09 -2.22 -0.25 0.00 1.68 0.00 0.00 54.58 53.88 2be5 n ASN 37 Cb 0.18 -0.96 -0.10 0.00 -1.54 0.00 0.00 39.78 37.35 2be5 n ASN 37 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2be5 s THR 38 N 3.21 2.29 -1.58 3.41 -1.32 -1.26 -4.83 115.64 115.56 2be5 s THR 38 Ca 0.35 -2.25 0.13 0.00 -1.21 0.00 0.00 61.69 58.71 2be5 s THR 38 Cb 0.11 -2.56 0.08 0.00 -1.51 0.00 0.00 72.50 68.62 2be5 s THR 38 CO -0.02 -0.25 0.89 1.33 -2.21 0.00 0.00 174.62 174.36 2be5 n VAL 39 N -0.75 0.00 -2.52 5.08 0.24 -1.26 -4.76 118.33 114.36 2be5 n VAL 39 Ca -0.05 -0.47 0.04 0.00 -2.04 0.00 0.00 64.34 61.81 2be5 n VAL 39 Cb 0.63 1.25 0.03 0.00 -1.47 0.00 0.00 33.84 34.28 2be5 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2be5 n LEU 40 N 0.56 1.08 0.15 1.34 -0.00 -1.26 -5.01 117.00 113.86 2be5 n LEU 40 Ca 0.07 -2.12 -0.14 0.00 -0.00 0.00 0.00 56.01 53.82 2be5 n LEU 40 Cb 0.32 0.04 -0.08 0.00 -0.00 0.00 0.00 43.42 43.70 2be5 n LEU 40 CO 0.10 0.56 0.68 -0.08 -0.00 0.00 0.00 177.39 178.66 2be5 h GLU 41 N 1.15 -0.33 0.00 1.47 4.57 -1.92 -3.43 114.58 116.09 2be5 h GLU 41 Ca -0.22 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2be5 h GLU 41 Cb 1.83 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 30.49 2be5 h GLU 41 CO 0.11 -0.10 0.00 -2.30 -1.18 0.00 0.00 179.01 175.54 2be5 n PRO 42 N -5.16 0.00 0.00 0.92 -0.02 -1.26 -4.45 135.00 125.03 2be5 n PRO 42 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2be5 n PRO 42 Cb 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.69 2be5 n PRO 42 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2be5 n GLU 43 N 0.00 0.00 -3.81 -0.52 0.00 -1.26 -4.67 120.64 110.38 2be5 n GLU 43 Ca 0.00 0.46 -0.37 0.00 0.00 0.00 0.00 57.16 57.25 2be5 n GLU 43 Cb 0.00 -1.32 -0.13 0.00 0.00 0.00 0.00 31.44 29.99 2be5 n GLU 43 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2be5 s GLU 44 N -2.29 2.57 0.17 3.44 2.02 -1.26 -5.06 118.70 118.29 2be5 s GLU 44 Ca 0.00 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.82 2be5 s GLU 44 Cb 0.00 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.86 2be5 s GLU 44 CO 0.00 -0.64 0.08 2.89 0.02 0.00 0.00 175.26 177.61 2be5 n ARG 45 N 4.75 0.63 -1.85 1.61 -4.01 -1.26 -4.95 116.66 111.58 2be5 n ARG 45 Ca -0.13 -1.52 -0.39 0.00 -1.04 0.00 0.00 57.85 54.77 2be5 n ARG 45 Cb 0.44 0.93 0.02 0.00 -3.04 0.00 0.00 32.46 30.81 2be5 n ARG 45 CO 0.00 0.00 0.00 -2.14 -3.04 0.00 0.00 177.63 172.45 2be5 s PRO 46 N -2.67 3.58 -0.25 2.89 0.02 -1.26 -5.03 135.00 132.28 2be5 s PRO 46 Ca 0.11 2.30 -0.22 0.00 0.02 0.00 0.00 61.00 63.21 2be5 s PRO 46 Cb 0.01 -2.55 0.07 0.00 0.02 0.00 0.00 34.50 32.04 2be5 s PRO 46 CO 0.08 -0.86 0.67 -1.59 -0.33 0.00 0.00 177.00 174.96 2be5 s LYS 47 N -2.56 0.77 0.28 5.54 -2.85 -1.26 -3.99 119.74 115.67 2be5 s LYS 47 Ca 0.63 0.95 0.08 0.00 -1.00 0.00 0.00 55.97 56.63 2be5 s LYS 47 Cb -0.41 0.36 -0.06 0.00 -2.06 0.00 0.00 37.83 35.66 2be5 s LYS 47 CO 0.52 -0.10 -0.09 1.41 0.10 0.00 0.00 175.35 177.19 2be5 s MET 48 N 0.46 1.58 -0.08 1.78 1.75 -1.26 -4.85 119.30 118.68 2be5 s MET 48 Ca -0.01 -1.78 0.12 0.00 -1.25 0.00 0.00 55.69 52.77 2be5 s MET 48 Cb -0.05 -1.33 0.30 0.00 2.84 0.00 0.00 34.83 36.60 2be5 s MET 48 CO -0.01 0.11 1.22 0.94 -0.65 0.00 0.00 175.02 176.64 2be5 n GLN 49 N -0.60 2.57 0.22 4.11 7.27 -1.26 -3.89 117.38 125.81 2be5 n GLN 49 Ca -0.06 -2.27 0.15 0.00 0.07 0.00 0.00 57.00 54.89 2be5 n GLN 49 Cb 0.63 -1.43 0.64 0.00 2.41 0.00 0.00 30.24 32.49 2be5 n GLN 49 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 2be5 h THR 50 N 1.08 0.00 -2.00 1.69 2.02 -2.00 -3.44 112.91 110.26 2be5 h THR 50 Ca 0.00 -0.35 0.03 0.00 0.77 0.00 0.00 66.41 66.86 2be5 h THR 50 Cb 0.95 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2be5 h THR 50 CO 0.06 0.00 0.16 -0.11 0.37 0.00 0.00 175.52 176.00 2be5 n LEU 51 N -2.73 0.00 -1.68 2.58 7.94 -1.26 -5.01 117.00 116.84 2be5 n LEU 51 Ca 0.01 -0.55 -0.00 0.00 -1.11 0.00 0.00 56.01 54.35 2be5 n LEU 51 Cb 0.25 0.97 0.28 0.00 0.53 0.00 0.00 43.42 45.45 2be5 n LEU 51 CO 0.23 -0.18 0.83 -0.62 -1.11 0.00 0.00 177.39 176.53 2be5 n GLU 52 N -0.21 3.60 0.00 1.96 -0.58 -1.25 -4.67 120.64 119.49 2be5 n GLU 52 Ca -0.01 -2.45 0.00 0.00 -0.42 0.00 0.00 57.16 54.28 2be5 n GLU 52 Cb 0.18 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 28.99 2be5 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2be5 n GLY 53 N 0.20 0.00 0.12 0.62 0.00 -1.25 -3.49 105.19 101.39 2be5 n GLY 53 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.42 2be5 n GLY 53 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2be5 n LEU 54 N -0.07 0.74 0.27 0.99 7.94 -1.26 -3.28 117.00 122.32 2be5 n LEU 54 Ca 0.00 0.63 0.10 0.00 -1.11 0.00 0.00 56.01 55.63 2be5 n LEU 54 Cb 0.00 -0.48 0.51 0.00 0.53 0.00 0.00 43.42 43.98 2be5 n LEU 54 CO 0.00 -0.42 0.98 -0.26 -1.11 0.00 0.00 177.39 176.59 2be5 h PHE 55 N 0.00 0.00 0.00 1.96 0.05 -1.69 -3.30 116.94 113.96 2be5 h PHE 55 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2be5 h PHE 55 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.46 2be5 h PHE 55 CO 0.00 0.00 -0.27 -3.47 -0.18 0.00 0.00 178.31 174.39 2be5 n ASP 56 N -2.50 0.66 -2.71 2.17 -0.08 -1.21 -5.02 116.55 107.86 2be5 n ASP 56 Ca -0.01 0.11 -0.04 0.00 -1.51 0.00 0.00 54.79 53.33 2be5 n ASP 56 Cb 0.47 -0.45 0.10 0.00 2.34 0.00 0.00 41.12 43.57 2be5 n ASP 56 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2be5 n ASP 57 N -3.15 -0.57 0.00 1.67 5.68 -1.24 -4.93 116.55 114.00 2be5 n ASP 57 Ca -0.04 -2.32 0.00 0.00 -0.50 0.00 0.00 54.79 51.93 2be5 n ASP 57 Cb 0.14 0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 2be5 n ASP 57 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 2be5 n PRO 58 N -0.88 0.00 -3.72 0.11 -0.02 -1.26 -4.86 135.00 124.36 2be5 n PRO 58 Ca -0.05 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.06 2be5 n PRO 58 Cb 0.85 -0.28 -0.12 0.00 -0.02 0.00 0.00 33.50 33.93 2be5 n PRO 58 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2be5 s ASN 59 N -1.27 5.49 0.01 2.55 -0.87 -1.26 -5.03 114.94 114.56 2be5 s ASN 59 Ca 0.00 -0.11 -0.08 0.00 -1.57 0.00 0.00 52.86 51.10 2be5 s ASN 59 Cb 0.00 -1.99 -0.04 0.00 -0.02 0.00 0.00 41.25 39.19 2be5 s ASN 59 CO 0.00 -0.02 1.12 0.00 -2.57 0.00 0.00 177.10 175.63 2be5 h ALA 60 N 8.12 -1.04 0.00 0.60 0.00 -1.91 -3.20 119.26 121.82 2be5 h ALA 60 Ca -0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2be5 h ALA 60 Cb 1.18 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2be5 h ALA 60 CO 0.58 -1.03 0.00 1.05 0.00 0.00 0.00 179.25 179.86 2be5 h GLU 61 N -0.27 0.00 0.00 0.00 -0.00 -1.88 -0.63 114.58 111.80 2be5 h GLU 61 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.32 2be5 h GLU 61 Cb 0.21 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 28.96 2be5 h GLU 61 CO 0.04 0.00 -0.04 1.15 -0.00 0.00 0.00 179.01 180.16 2be5 h THR 62 N 0.00 0.20 0.00 -1.06 2.02 -1.97 0.24 112.91 112.34 2be5 h THR 62 Ca 0.00 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 2be5 h THR 62 Cb 0.23 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2be5 h THR 62 CO 0.00 0.04 -0.04 -0.50 0.37 0.00 0.00 175.52 175.39 2be5 h TRP 63 N 0.00 0.00 -0.77 3.16 4.06 -1.17 -2.88 115.95 118.35 2be5 h TRP 63 Ca -0.00 0.00 0.15 0.00 2.06 0.00 0.00 58.89 61.10 2be5 h TRP 63 Cb 0.27 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.29 2be5 h TRP 63 CO 0.00 0.24 -0.24 0.00 -3.56 0.00 0.00 178.44 174.89 2be5 h ALA 64 N -0.77 0.40 -0.34 1.49 0.00 -1.08 0.57 119.26 119.53 2be5 h ALA 64 Ca -0.01 0.28 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 2be5 h ALA 64 Cb 0.26 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2be5 h ALA 64 CO -0.00 -0.47 0.19 0.52 0.00 0.00 0.00 179.25 179.49 2be5 h MET 65 N -0.03 0.47 -0.36 0.00 2.86 -0.71 0.01 114.93 117.18 2be5 h MET 65 Ca 0.35 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 58.04 2be5 h MET 65 Cb 0.58 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2be5 h MET 65 CO -0.81 0.39 0.27 -0.22 1.06 0.00 0.00 176.91 177.60 2be5 h LYS 66 N 0.43 0.00 0.00 1.72 1.63 0.20 -1.16 116.57 119.39 2be5 h LYS 66 Ca 0.12 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.79 2be5 h LYS 66 Cb 0.05 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2be5 h LYS 66 CO -0.02 0.00 -0.73 0.93 -3.45 0.00 0.00 179.45 176.18 2be5 h GLU 67 N 0.00 0.00 -0.89 1.90 5.08 -0.12 -3.36 114.58 117.19 2be5 h GLU 67 Ca 0.17 0.00 0.17 0.00 -1.00 0.00 0.00 59.36 58.70 2be5 h GLU 67 Cb 0.70 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.88 2be5 h GLU 67 CO -0.00 0.99 0.58 1.25 -1.00 0.00 0.00 179.01 180.83 2be5 h LEU 68 N -1.00 0.53 -2.31 1.33 5.85 -0.78 0.44 115.31 119.37 2be5 h LEU 68 Ca -0.20 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.58 2be5 h LEU 68 Cb 1.17 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2be5 h LEU 68 CO -0.12 0.24 0.05 0.25 -0.34 0.00 0.00 178.44 178.52 2be5 h LEU 69 N 0.54 0.00-10.55 2.25 6.46 -1.36 -3.41 115.31 109.25 2be5 h LEU 69 Ca 0.46 0.00 -0.45 0.00 -0.12 0.00 0.00 57.88 57.77 2be5 h LEU 69 Cb 0.95 0.00 0.06 0.00 -0.73 0.00 0.00 40.66 40.94 2be5 h LEU 69 CO -0.20 0.00 0.08 -0.89 -0.62 0.00 0.00 178.44 176.81 2be5 s THR 70 N -4.73 2.47 -0.61 1.05 2.01 0.16 -5.01 115.64 110.98 2be5 s THR 70 Ca -0.05 -0.51 -0.01 0.00 0.31 0.00 0.00 61.69 61.43 2be5 s THR 70 Cb 0.16 -2.96 0.48 0.00 0.01 0.00 0.00 72.50 70.18 2be5 s THR 70 CO 0.58 0.00 2.01 0.61 -0.69 0.00 0.00 174.62 177.13 2be5 n GLY 71 N -2.61 5.51 0.13 4.40 0.00 -1.26 -4.55 105.19 106.81 2be5 n GLY 71 Ca 0.09 -2.01 -0.20 0.00 0.00 0.00 0.00 46.02 43.90 2be5 n GLY 71 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2be5 n ARG 72 N -0.89 0.69 -1.49 1.61 0.00 -1.26 -4.98 116.66 110.34 2be5 n ARG 72 Ca 0.60 0.22 -0.30 0.00 -0.00 0.00 0.00 57.85 58.37 2be5 n ARG 72 Cb 0.84 -1.61 0.09 0.00 -0.00 0.00 0.00 32.46 31.79 2be5 n ARG 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2be5 s LEU 73 N -6.85 2.62 -0.13 2.89 1.43 -1.26 -5.07 118.68 112.31 2be5 s LEU 73 Ca -0.30 1.39 -0.04 0.00 -1.03 0.00 0.00 54.13 54.16 2be5 s LEU 73 Cb 0.08 -4.01 0.05 0.00 0.03 0.00 0.00 46.19 42.34 2be5 s LEU 73 CO 0.67 -2.02 0.07 -0.69 0.23 0.00 0.00 176.35 174.60 2be5 s VAL 74 N -3.10 0.03 -0.21 -1.59 1.01 -1.26 -5.08 120.40 110.20 2be5 s VAL 74 Ca 0.61 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 2be5 s VAL 74 Cb -0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 2be5 s VAL 74 CO 0.55 -0.10 -0.03 0.72 0.00 0.00 0.00 175.10 176.24 2be5 s PHE 75 N 2.09 2.98 0.39 5.22 -0.12 -1.26 -5.06 117.98 122.23 2be5 s PHE 75 Ca 0.03 -0.76 0.04 0.00 -0.05 0.00 0.00 56.93 56.18 2be5 s PHE 75 Cb -0.15 -2.09 -0.03 0.00 -0.63 0.00 0.00 43.02 40.12 2be5 s PHE 75 CO -0.07 -0.44 0.11 0.20 -0.05 0.00 0.00 175.22 174.98 2be5 s GLY 76 N 1.29 2.51 0.07 1.99 0.00 -1.26 -5.05 107.32 106.88 2be5 s GLY 76 Ca 0.04 -1.36 -0.12 0.00 0.00 0.00 0.00 44.72 43.28 2be5 s GLY 76 CO -0.01 -1.84 1.13 0.83 0.00 0.00 0.00 173.10 173.21 2be5 h GLU 77 N 1.84 0.55 -1.69 2.90 4.39 -2.04 -3.40 114.58 117.12 2be5 h GLU 77 Ca -0.37 -0.75 -0.36 0.00 0.34 0.00 0.00 59.36 58.23 2be5 h GLU 77 Cb 1.27 0.25 -0.27 0.00 -0.10 0.00 0.00 28.75 29.90 2be5 h GLU 77 CO 0.60 1.33 -0.72 1.21 -1.16 0.00 0.00 179.01 180.27 2be5 s ASN 78 N -7.36 0.07 -0.18 1.42 3.84 -1.26 -5.03 114.94 106.43 2be5 s ASN 78 Ca -0.08 -2.26 -0.16 0.00 0.21 0.00 0.00 52.86 50.57 2be5 s ASN 78 Cb 0.06 0.75 -0.11 0.00 -0.55 0.00 0.00 41.25 41.40 2be5 s ASN 78 CO 0.92 -0.13 -0.02 -0.11 -2.79 0.00 0.00 177.10 174.97 2be5 n LEU 79 N 3.09 1.85 -3.93 3.21 7.94 -1.26 -4.94 117.00 122.95 2be5 n LEU 79 Ca 0.22 0.51 -0.23 0.00 -1.11 0.00 0.00 56.01 55.40 2be5 n LEU 79 Cb 0.51 -0.91 -0.17 0.00 0.53 0.00 0.00 43.42 43.39 2be5 n LEU 79 CO 0.04 -0.06 -0.43 -0.69 -1.11 0.00 0.00 177.39 175.13 2be5 s VAL 80 N -2.34 0.83 -0.36 1.96 1.01 -1.26 -5.10 120.40 115.14 2be5 s VAL 80 Ca -0.23 -0.25 -0.37 0.00 0.00 0.00 0.00 61.98 61.12 2be5 s VAL 80 Cb 0.05 -0.83 -0.16 0.00 0.00 0.00 0.00 36.38 35.44 2be5 s VAL 80 CO 0.41 0.30 1.24 -2.65 0.00 0.00 0.00 175.10 174.41 2be5 n PRO 81 N 4.28 0.00 -0.22 2.72 -0.02 -1.26 -4.82 135.00 135.68 2be5 n PRO 81 Ca -0.20 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.31 2be5 n PRO 81 Cb 0.51 -1.21 0.07 0.00 -0.02 0.00 0.00 33.50 32.85 2be5 n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2be5 n GLU 82 N 3.01 -0.07 -0.03 -0.52 -0.58 -1.26 -2.39 120.64 118.80 2be5 n GLU 82 Ca 0.24 0.93 -0.01 0.00 -0.42 0.00 0.00 57.16 57.91 2be5 n GLU 82 Cb -0.04 -1.39 -0.14 0.00 -0.57 0.00 0.00 31.44 29.30 2be5 n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2be5 n ASP 83 N -4.96 0.26 0.11 1.62 -0.08 -1.26 -4.23 116.55 108.02 2be5 n ASP 83 Ca 0.09 0.12 0.11 0.00 -1.51 0.00 0.00 54.79 53.60 2be5 n ASP 83 Cb 0.29 1.05 0.46 0.00 2.34 0.00 0.00 41.12 45.26 2be5 n ASP 83 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2be5 n ARG 84 N -2.64 0.17 0.03 -0.67 3.00 -1.01 -3.33 116.66 112.21 2be5 n ARG 84 Ca -0.17 0.39 -0.12 0.00 -0.00 0.00 0.00 57.85 57.95 2be5 n ARG 84 Cb 0.88 -1.82 -0.09 0.00 0.00 0.00 0.00 32.46 31.44 2be5 n ARG 84 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.63 179.00 2be5 h LEU 85 N 0.00 -0.13 -1.85 6.15 -0.00 -1.71 -2.86 115.31 114.91 2be5 h LEU 85 Ca 0.00 -0.43 -0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2be5 h LEU 85 Cb 0.36 0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 2be5 h LEU 85 CO 0.00 0.43 0.06 0.06 -0.00 0.00 0.00 178.44 178.99 2be5 h GLN 86 N -0.76 0.15 0.47 0.17 3.07 -1.79 -1.53 115.11 114.90 2be5 h GLN 86 Ca -0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.69 2be5 h GLN 86 Cb 0.55 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.08 2be5 h GLN 86 CO 0.03 0.12 -0.23 -0.22 0.09 0.00 0.00 178.83 178.62 2be5 h LYS 87 N 0.16 -0.61 -0.33 0.06 3.64 -1.62 -2.63 116.57 115.25 2be5 h LYS 87 Ca 0.04 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2be5 h LYS 87 Cb 0.02 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2be5 h LYS 87 CO -0.01 -0.31 0.22 0.93 -2.27 0.00 0.00 179.45 178.01 2be5 h GLU 88 N -1.02 0.25 -0.17 1.90 4.39 -1.27 -2.21 114.58 116.46 2be5 h GLU 88 Ca -0.06 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 2be5 h GLU 88 Cb 0.58 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2be5 h GLU 88 CO 0.11 0.17 -0.37 1.98 -1.16 0.00 0.00 179.01 179.73 2be5 h MET 89 N 0.26 0.55 -0.58 2.33 4.05 -1.32 -2.79 114.93 117.44 2be5 h MET 89 Ca 0.14 -0.37 0.00 0.00 -0.28 0.00 0.00 59.70 59.20 2be5 h MET 89 Cb 0.23 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 2be5 h MET 89 CO -0.03 0.98 0.38 0.93 0.23 0.00 0.00 176.91 179.40 2be5 h GLU 90 N 0.20 0.76 -0.70 0.39 5.08 -1.05 -1.02 114.58 118.25 2be5 h GLU 90 Ca 0.00 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.39 2be5 h GLU 90 Cb 0.98 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 2be5 h GLU 90 CO 0.08 0.52 0.37 0.00 -1.00 0.00 0.00 179.01 178.98 2be5 h ARG 91 N 0.78 0.64 0.00 2.33 3.08 -1.41 -3.23 114.38 116.57 2be5 h ARG 91 Ca 0.21 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2be5 h ARG 91 Cb -0.08 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 2be5 h ARG 91 CO -0.04 0.42 -1.56 -0.89 -1.07 0.00 0.00 179.97 176.83 2be5 n ILE 92 N -4.81 0.50 -3.97 2.04 5.41 -1.06 -4.88 119.36 112.59 2be5 n ILE 92 Ca 0.10 -0.57 -0.34 0.00 1.00 0.00 0.00 62.75 62.94 2be5 n ILE 92 Cb 0.22 -0.26 -0.14 0.00 -0.71 0.00 0.00 39.64 38.75 2be5 n ILE 92 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2be5 s TYR 93 N -3.31 3.23 0.50 1.39 1.51 -0.40 -5.10 117.35 115.17 2be5 s TYR 93 Ca -0.05 -1.97 -0.05 0.00 -1.01 0.00 0.00 57.07 54.00 2be5 s TYR 93 Cb 0.11 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 2be5 s TYR 93 CO 0.85 -0.82 0.80 -2.14 -1.11 0.00 0.00 175.55 173.13 2be5 s PRO 94 N 1.22 3.40 0.00 -1.71 0.02 -1.26 -4.69 135.00 131.98 2be5 s PRO 94 Ca -0.05 0.14 0.00 0.00 0.02 0.00 0.00 61.00 61.10 2be5 s PRO 94 Cb -0.19 -2.36 0.00 0.00 0.02 0.00 0.00 34.50 31.97 2be5 s PRO 94 CO -0.03 -0.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2be5 n GLY 95 N -2.32 2.51 2.71 0.52 0.00 -1.26 -4.79 105.19 102.56 2be5 n GLY 95 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2be5 n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50