#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 0.10 0.00 0.41 -1.26 -5.02 118.70 116.68 2be5 s GLU 3 Ca 0.00 0.27 -0.36 0.00 -0.41 0.00 0.00 54.97 54.47 2be5 s GLU 3 Cb 0.00 -2.54 -0.16 0.00 -1.78 0.00 0.00 34.13 29.65 2be5 s GLU 3 CO 0.00 0.14 1.40 -2.30 -0.49 0.00 0.00 175.26 174.01 2be5 n PRO 4 N -0.89 1.41 -3.15 0.39 -0.02 -1.26 -3.32 135.00 128.16 2be5 n PRO 4 Ca 0.01 0.51 -0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2be5 n PRO 4 Cb 0.54 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.76 -0.05 0.27 -1.23 0.00 -1.26 -4.77 105.19 100.91 2be5 n GLY 5 Ca 0.18 0.07 0.06 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 -0.08 1.05 0.17 -0.61 6.09 -1.98 0.04 117.51 122.18 2be5 h ILE 6 Ca -0.25 -0.14 -0.01 0.00 -1.37 0.00 0.00 64.86 63.09 2be5 h ILE 6 Cb 0.53 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.72 2be5 h ILE 6 CO 0.28 0.05 -0.08 0.44 -3.07 0.00 0.00 178.15 175.77 2be5 h ASP 7 N 0.16 -0.19 -0.85 2.19 3.32 -1.89 0.92 116.42 120.08 2be5 h ASP 7 Ca 0.04 -0.27 0.16 0.00 0.02 0.00 0.00 57.03 56.98 2be5 h ASP 7 Cb 0.03 0.05 -0.10 0.00 0.22 0.00 0.00 39.33 39.53 2be5 h ASP 7 CO -0.01 0.18 0.42 0.11 -1.72 0.00 0.00 179.24 178.22 2be5 h LYS 8 N -0.59 0.55 0.54 3.56 1.57 -1.77 0.39 116.57 120.83 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 0.44 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.63 2be5 h LYS 8 CO 0.04 0.37 -0.26 -0.07 -0.57 0.00 0.00 179.45 178.95 2be5 h LEU 9 N 0.57 -0.62 -0.92 2.94 3.38 -0.84 -2.69 115.31 117.14 2be5 h LEU 9 Ca 0.47 -0.04 0.24 0.00 0.09 0.00 0.00 57.88 58.64 2be5 h LEU 9 Cb 0.71 0.16 -0.13 0.00 0.09 0.00 0.00 40.66 41.49 2be5 h LEU 9 CO -0.39 -0.31 0.42 -0.26 0.09 0.00 0.00 178.44 177.98 2be5 h PHE 10 N -0.92 0.68 -0.59 1.13 0.05 -0.03 0.77 116.94 118.04 2be5 h PHE 10 Ca -0.07 0.04 -0.05 0.00 3.82 0.00 0.00 57.97 61.71 2be5 h PHE 10 Cb 0.62 -0.16 -0.03 0.00 2.00 0.00 0.00 35.95 38.39 2be5 h PHE 10 CO -0.00 -0.08 0.16 0.78 -0.18 0.00 0.00 178.31 178.99 2be5 h GLY 11 N 0.38 0.97 0.90 -1.45 0.00 -0.82 -2.71 103.07 100.34 2be5 h GLY 11 Ca 0.59 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2be5 h GLY 11 CO -0.55 0.52 0.00 1.03 0.00 0.00 0.00 176.54 177.54 2be5 n MET 12 N -4.27 0.54 -4.46 4.80 2.81 0.26 -4.73 117.12 112.07 2be5 n MET 12 Ca 0.04 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.68 2be5 n MET 12 Cb 0.22 -1.45 -0.13 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.78 0.22 2.03 -7.23 -1.02 -5.03 120.40 109.15 2be5 s VAL 13 Ca 0.24 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 58.95 2be5 s VAL 13 Cb 0.11 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.45 2be5 s VAL 13 CO 0.18 0.08 1.58 -2.24 -0.31 0.00 0.00 175.10 174.39 2be5 h ASP 14 N 4.38 0.60 -4.23 4.85 2.03 -1.85 -3.44 116.42 118.77 2be5 h ASP 14 Ca -0.45 -0.27 -0.47 0.00 -0.73 0.00 0.00 57.03 55.10 2be5 h ASP 14 Cb 1.17 -0.17 -0.28 0.00 -0.83 0.00 0.00 39.33 39.22 2be5 h ASP 14 CO 0.41 0.95 -0.81 -0.55 -1.03 0.00 0.00 179.24 178.21 2be5 s SER 15 N -6.86 1.65 0.14 4.15 0.15 -1.26 -5.04 113.70 106.62 2be5 s SER 15 Ca -0.07 -0.30 -0.20 0.00 0.70 0.00 0.00 55.95 56.07 2be5 s SER 15 Cb 0.12 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 2be5 s SER 15 CO 0.83 0.14 1.67 0.50 1.20 0.00 0.00 173.24 177.58 2be5 h LYS 16 N 5.58 -0.10 0.00 5.44 3.64 -1.88 -1.49 116.57 127.76 2be5 h LYS 16 Ca -0.35 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 2be5 h LYS 16 Cb 1.17 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2be5 h LYS 16 CO 0.48 -0.07 0.00 0.66 -2.27 0.00 0.00 179.45 178.25 2be5 n TYR 17 N -5.28 0.20 0.03 1.91 0.53 -1.26 -1.83 117.16 111.45 2be5 n TYR 17 Ca -0.01 0.09 -0.19 0.00 -1.02 0.00 0.00 57.90 56.76 2be5 n TYR 17 Cb 0.20 -0.64 -0.14 0.00 -1.03 0.00 0.00 39.34 37.74 2be5 n TYR 17 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 2be5 h ARG 18 N 0.00 0.30 -0.96 -0.72 2.43 -1.69 -3.23 114.38 110.50 2be5 h ARG 18 Ca 0.00 -0.44 0.16 0.00 -0.81 0.00 0.00 59.98 58.89 2be5 h ARG 18 Cb 0.19 0.16 -0.10 0.00 -0.42 0.00 0.00 29.97 29.79 2be5 h ARG 18 CO 0.00 1.18 0.57 1.25 -1.51 0.00 0.00 179.97 181.46 2be5 h LEU 19 N -0.37 0.75 -0.53 3.80 5.85 -1.26 0.39 115.31 123.95 2be5 h LEU 19 Ca -0.11 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2be5 h LEU 19 Cb 1.50 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 2be5 h LEU 19 CO 0.13 0.31 0.28 0.74 -0.34 0.00 0.00 178.44 179.56 2be5 h THR 20 N 0.78 1.19 -0.21 1.05 2.02 -1.65 -2.39 112.91 113.71 2be5 h THR 20 Ca 0.53 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 67.22 2be5 h THR 20 Cb 0.74 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2be5 h THR 20 CO -0.35 0.20 0.14 0.58 0.37 0.00 0.00 175.52 176.46 2be5 h VAL 21 N 0.71 1.06 0.38 3.16 2.07 -0.98 -2.00 116.25 120.65 2be5 h VAL 21 Ca 0.19 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 2be5 h VAL 21 Cb 0.07 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2be5 h VAL 21 CO -0.03 0.05 -0.32 0.58 0.02 0.00 0.00 177.57 177.88 2be5 h VAL 22 N 0.28 0.00 -0.64 2.57 2.07 -1.14 0.63 116.25 120.01 2be5 h VAL 22 Ca 0.08 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.72 2be5 h VAL 22 Cb -0.03 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.62 2be5 h VAL 22 CO -0.02 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 177.98 2be5 h VAL 23 N -0.68 0.33 -0.51 2.57 2.07 -1.45 0.17 116.25 118.74 2be5 h VAL 23 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2be5 h VAL 23 Cb 0.58 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2be5 h VAL 23 CO -0.00 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.92 2be5 h ALA 24 N 1.59 0.65 0.00 1.67 0.00 -1.21 0.84 119.26 122.81 2be5 h ALA 24 Ca 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2be5 h ALA 24 Cb 0.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2be5 h ALA 24 CO -0.67 0.11 -0.32 0.87 0.00 0.00 0.00 179.25 179.24 2be5 h LYS 25 N 0.69 0.00 -0.00 0.00 1.57 0.42 -2.30 116.57 116.95 2be5 h LYS 25 Ca 0.19 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.77 2be5 h LYS 25 Cb -0.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.26 2be5 h LYS 25 CO -0.04 0.32 -0.75 -0.09 -0.57 0.00 0.00 179.45 178.32 2be5 h ARG 26 N 0.00 0.51 -0.45 3.15 9.65 -0.17 -2.99 114.38 124.07 2be5 h ARG 26 Ca -0.00 -0.55 0.02 0.00 -1.10 0.00 0.00 59.98 58.35 2be5 h ARG 26 Cb 0.81 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.52 2be5 h ARG 26 CO 0.04 1.18 0.30 0.00 2.80 0.00 0.00 179.97 184.29 2be5 h ALA 27 N 0.35 1.76 0.76 2.80 0.00 -0.72 0.72 119.26 124.93 2be5 h ALA 27 Ca -0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2be5 h ALA 27 Cb 1.44 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.09 2be5 h ALA 27 CO 0.15 0.19 -0.38 0.37 0.00 0.00 0.00 179.25 179.58 2be5 h GLN 28 N 0.53 -1.01 -0.24 0.00 4.15 -1.38 -2.74 115.11 114.42 2be5 h GLN 28 Ca 0.18 0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.64 2be5 h GLN 28 Cb 0.06 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2be5 h GLN 28 CO -0.04 -0.67 0.02 -0.56 -1.93 0.00 0.00 178.83 175.64 2be5 h GLN 29 N -1.05 0.35 -1.00 1.69 3.07 -1.32 -1.32 115.11 115.53 2be5 h GLN 29 Ca -0.10 -0.06 0.11 0.00 0.09 0.00 0.00 58.65 58.69 2be5 h GLN 29 Cb 0.81 -0.06 -0.08 0.00 0.08 0.00 0.00 27.48 28.23 2be5 h GLN 29 CO 0.16 0.37 0.63 -0.07 0.09 0.00 0.00 178.83 180.01 2be5 h LEU 30 N 0.35 0.94 0.00 0.06 4.07 -0.58 -2.72 115.31 117.43 2be5 h LEU 30 Ca 0.08 0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.99 2be5 h LEU 30 Cb 0.21 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 2be5 h LEU 30 CO 0.00 0.51 -0.58 0.17 -1.08 0.00 0.00 178.44 177.47 2be5 h LEU 31 N 1.02 0.00 0.18 1.67 8.10 -1.14 -2.79 115.31 122.35 2be5 h LEU 31 Ca 0.49 -0.57 0.00 0.00 0.11 0.00 0.00 57.88 57.91 2be5 h LEU 31 Cb 0.45 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.64 2be5 h LEU 31 CO -0.25 1.12 -0.33 0.03 -4.11 0.00 0.00 178.44 174.90 2be5 h ARG 32 N -1.00 -0.52 0.00 0.17 -0.00 -1.22 -2.50 114.38 109.31 2be5 h ARG 32 Ca -0.14 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.37 2be5 h ARG 32 Cb 0.96 0.12 0.00 0.00 0.00 0.00 0.00 29.97 31.05 2be5 h ARG 32 CO -0.09 -0.35 0.00 0.72 0.00 0.00 0.00 179.97 180.25 2be5 n HIS 33 N -4.34 0.00 0.00 3.04 8.25 -1.03 -4.84 115.22 116.29 2be5 n HIS 33 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2be5 n HIS 33 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 0.05 3.26 0.00 -1.41 0.00 -0.94 -4.46 105.19 101.69 2be5 n GLY 34 Ca 0.11 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.70 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 0.41 0.00 1.71 1.61 7.35 -1.05 -2.83 117.46 124.66 2be5 n PHE 35 Ca 0.00 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 56.75 2be5 n PHE 35 Cb 0.00 -0.45 0.28 0.00 0.35 0.00 0.00 39.48 39.66 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 -1.45 1.24 -0.64 -4.13 4.76 -1.26 -4.42 118.16 112.25 2be5 n LYS 36 Ca 0.06 -0.37 -0.17 0.00 -2.87 0.00 0.00 58.31 54.97 2be5 n LYS 36 Cb 0.24 -1.21 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 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 -0.31 4.10 -4.57 4.39 4.13 -1.13 -4.83 115.26 117.04 2be5 n ASN 37 Ca 0.09 -2.22 -0.26 0.00 1.68 0.00 0.00 54.58 53.87 2be5 n ASN 37 Cb 0.12 -0.97 -0.10 0.00 -1.54 0.00 0.00 39.78 37.29 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 3.07 2.27 -1.46 3.41 -1.32 -1.26 -4.84 115.64 115.52 2be5 s THR 38 Ca 0.36 -2.15 0.13 0.00 -1.21 0.00 0.00 61.69 58.83 2be5 s THR 38 Cb 0.12 -2.71 0.06 0.00 -1.51 0.00 0.00 72.50 68.46 2be5 s THR 38 CO -0.02 -0.18 0.84 1.33 -2.21 0.00 0.00 174.62 174.38 2be5 n VAL 39 N -0.84 0.00 -2.74 5.08 0.24 -1.26 -4.77 118.33 114.04 2be5 n VAL 39 Ca -0.05 -0.44 0.01 0.00 -2.04 0.00 0.00 64.34 61.82 2be5 n VAL 39 Cb 0.64 1.22 0.05 0.00 -1.47 0.00 0.00 33.84 34.27 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 0.33 1.22 -0.01 1.34 -0.00 -1.26 -5.01 117.00 113.61 2be5 n LEU 40 Ca 0.07 -2.77 -0.13 0.00 -0.00 0.00 0.00 56.01 53.18 2be5 n LEU 40 Cb 0.31 0.34 -0.10 0.00 -0.00 0.00 0.00 43.42 43.97 2be5 n LEU 40 CO 0.12 0.95 0.65 -0.08 -0.00 0.00 0.00 177.39 179.03 2be5 h GLU 41 N 2.09 0.01 0.00 1.47 4.57 -1.92 -3.43 114.58 117.37 2be5 h GLU 41 Ca -0.19 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2be5 h GLU 41 Cb 1.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.01 2be5 h GLU 41 CO 0.13 0.47 0.00 -2.30 -1.18 0.00 0.00 179.01 176.13 2be5 n PRO 42 N -4.86 0.00 0.01 0.92 -0.02 -1.26 -4.47 135.00 125.32 2be5 n PRO 42 Ca -0.08 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.39 2be5 n PRO 42 Cb 0.24 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.72 2be5 n PRO 42 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2be5 h GLU 43 N 0.00 -0.02 -4.75 -0.52 9.09 -2.05 -3.43 114.58 112.90 2be5 h GLU 43 Ca 0.00 0.00 -0.68 0.00 0.05 0.00 0.00 59.36 58.73 2be5 h GLU 43 Cb 0.00 0.01 -0.33 0.00 -1.65 0.00 0.00 28.75 26.77 2be5 h GLU 43 CO 0.00 -0.02 -0.70 -1.21 0.05 0.00 0.00 179.01 177.14 2be5 s GLU 44 N -2.66 2.36 0.17 1.06 2.02 -1.26 -5.07 118.70 115.32 2be5 s GLU 44 Ca -0.00 -1.33 0.02 0.00 0.02 0.00 0.00 54.97 53.68 2be5 s GLU 44 Cb 0.00 -3.20 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 2be5 s GLU 44 CO 0.01 -0.66 0.08 2.89 0.02 0.00 0.00 175.26 177.60 2be5 n ARG 45 N 4.60 0.64 -1.89 1.61 -4.01 -1.26 -4.95 116.66 111.39 2be5 n ARG 45 Ca -0.12 -1.49 -0.40 0.00 -1.04 0.00 0.00 57.85 54.80 2be5 n ARG 45 Cb 0.43 0.91 0.01 0.00 -3.04 0.00 0.00 32.46 30.77 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 -2.66 3.80 -0.22 2.89 0.02 -1.26 -5.03 135.00 132.54 2be5 s PRO 46 Ca 0.11 2.33 -0.18 0.00 0.02 0.00 0.00 61.00 63.28 2be5 s PRO 46 Cb 0.01 -2.70 0.06 0.00 0.02 0.00 0.00 34.50 31.88 2be5 s PRO 46 CO 0.08 -0.69 0.57 -1.59 -0.33 0.00 0.00 177.00 175.03 2be5 s LYS 47 N -2.36 0.64 0.27 5.54 -2.85 -1.26 -3.92 119.74 115.81 2be5 s LYS 47 Ca 0.59 0.85 0.09 0.00 -1.00 0.00 0.00 55.97 56.50 2be5 s LYS 47 Cb -0.42 0.26 -0.05 0.00 -2.06 0.00 0.00 37.83 35.56 2be5 s LYS 47 CO 0.54 -0.10 -0.12 1.41 0.10 0.00 0.00 175.35 177.18 2be5 s MET 48 N 0.61 1.58 -0.07 1.78 1.75 -1.26 -4.85 119.30 118.84 2be5 s MET 48 Ca -0.02 -1.76 0.11 0.00 -1.25 0.00 0.00 55.69 52.76 2be5 s MET 48 Cb -0.05 -1.39 0.29 0.00 2.84 0.00 0.00 34.83 36.52 2be5 s MET 48 CO -0.04 0.16 1.22 1.04 -0.65 0.00 0.00 175.02 176.75 2be5 n GLN 49 N -0.58 2.63 0.15 4.11 6.02 -1.26 -3.87 117.38 124.57 2be5 n GLN 49 Ca -0.06 -2.21 0.13 0.00 -0.01 0.00 0.00 57.00 54.84 2be5 n GLN 49 Cb 0.62 -1.39 0.51 0.00 1.02 0.00 0.00 30.24 31.00 2be5 n GLN 49 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2be5 h THR 50 N 1.11 0.00 -2.02 5.09 2.02 -2.00 -3.44 112.91 113.67 2be5 h THR 50 Ca 0.00 -0.29 0.07 0.00 0.77 0.00 0.00 66.41 66.96 2be5 h THR 50 Cb 0.91 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2be5 h THR 50 CO 0.06 0.00 0.26 -0.11 0.37 0.00 0.00 175.52 176.09 2be5 n LEU 51 N -2.36 0.00 -1.69 2.58 7.94 -1.26 -5.01 117.00 117.20 2be5 n LEU 51 Ca 0.02 -0.67 0.00 0.00 -1.11 0.00 0.00 56.01 54.26 2be5 n LEU 51 Cb 0.26 1.26 0.29 0.00 0.53 0.00 0.00 43.42 45.75 2be5 n LEU 51 CO 0.22 -0.22 0.83 -0.62 -1.11 0.00 0.00 177.39 176.48 2be5 n GLU 52 N -0.32 3.67 0.00 1.96 4.71 -1.25 -4.67 120.64 124.74 2be5 n GLU 52 Ca -0.01 -2.49 0.00 0.00 -0.01 0.00 0.00 57.16 54.65 2be5 n GLU 52 Cb 0.26 -2.08 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 2be5 n GLU 52 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2be5 n GLY 53 N 0.22 0.00 0.17 0.62 0.00 -1.25 -3.43 105.19 101.52 2be5 n GLY 53 Ca 0.28 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.43 2be5 n GLY 53 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2be5 h LEU 54 N 0.33 0.00 -1.18 0.99 6.46 -1.83 -3.14 115.31 116.94 2be5 h LEU 54 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2be5 h LEU 54 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2be5 h LEU 54 CO 0.00 0.00 0.42 -0.26 -0.62 0.00 0.00 178.44 177.98 2be5 h PHE 55 N 0.00 0.00 0.00 1.25 0.05 -1.67 -3.30 116.94 113.27 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 0.55 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.50 2be5 h PHE 55 CO 0.00 0.00 -0.42 -3.47 -0.18 0.00 0.00 178.31 174.24 2be5 n ASP 56 N -2.43 1.04 -2.71 2.17 -0.08 -1.19 -5.02 116.55 108.34 2be5 n ASP 56 Ca -0.01 0.17 -0.04 0.00 -1.51 0.00 0.00 54.79 53.40 2be5 n ASP 56 Cb 0.45 -0.50 0.10 0.00 2.34 0.00 0.00 41.12 43.50 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 -3.52 -0.53 0.00 1.67 5.68 -1.24 -4.93 116.55 113.67 2be5 n ASP 57 Ca -0.06 -2.30 0.00 0.00 -0.50 0.00 0.00 54.79 51.94 2be5 n ASP 57 Cb 0.22 0.36 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 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 -0.93 0.00 -3.74 0.11 -0.02 -1.26 -4.86 135.00 124.30 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 -0.22 -0.12 0.00 -0.02 0.00 0.00 33.50 33.98 2be5 n PRO 58 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2be5 s ASN 59 N -1.24 5.40 0.01 2.55 3.04 -1.26 -5.03 114.94 118.41 2be5 s ASN 59 Ca 0.00 -0.13 -0.08 0.00 0.04 0.00 0.00 52.86 52.69 2be5 s ASN 59 Cb 0.00 -1.98 -0.04 0.00 -1.54 0.00 0.00 41.25 37.69 2be5 s ASN 59 CO 0.00 -0.02 1.12 0.00 -3.04 0.00 0.00 177.10 175.16 2be5 h ALA 60 N 8.13 -1.00 0.00 1.71 0.00 -1.91 -3.17 119.26 123.01 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 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2be5 h ALA 60 CO 0.58 -0.99 0.00 1.05 0.00 0.00 0.00 179.25 179.89 2be5 h GLU 61 N -0.26 0.00 0.00 0.00 -0.00 -1.88 -0.45 114.58 111.99 2be5 h GLU 61 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.33 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 0.03 0.00 -0.01 1.15 -0.00 0.00 0.00 179.01 180.18 2be5 h THR 62 N 0.00 0.04 0.00 -1.06 2.02 -1.96 0.81 112.91 112.76 2be5 h THR 62 Ca 0.00 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2be5 h THR 62 Cb 0.19 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2be5 h THR 62 CO 0.00 0.01 -0.02 -0.50 0.37 0.00 0.00 175.52 175.38 2be5 h TRP 63 N 0.00 0.00 -0.74 3.16 4.06 -1.14 -2.92 115.95 118.37 2be5 h TRP 63 Ca -0.00 0.00 0.12 0.00 2.06 0.00 0.00 58.89 61.07 2be5 h TRP 63 Cb 0.32 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.34 2be5 h TRP 63 CO 0.00 0.27 -0.36 0.00 -3.56 0.00 0.00 178.44 174.79 2be5 h ALA 64 N -0.74 0.02 -0.23 1.49 0.00 -1.11 0.53 119.26 119.22 2be5 h ALA 64 Ca -0.00 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2be5 h ALA 64 Cb 0.28 0.88 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2be5 h ALA 64 CO -0.00 -0.66 0.07 0.52 0.00 0.00 0.00 179.25 179.18 2be5 h MET 65 N -0.10 0.17 -0.33 0.00 2.86 -1.03 0.14 114.93 116.63 2be5 h MET 65 Ca 0.27 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 58.00 2be5 h MET 65 Cb 0.57 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2be5 h MET 65 CO -0.80 0.11 0.28 -0.22 1.06 0.00 0.00 176.91 177.35 2be5 h LYS 66 N 0.18 0.00 0.03 1.72 1.63 0.06 -0.67 116.57 119.51 2be5 h LYS 66 Ca 0.10 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.70 2be5 h LYS 66 Cb 0.07 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.68 2be5 h LYS 66 CO -0.11 0.00 -1.06 1.05 -3.45 0.00 0.00 179.45 175.88 2be5 h GLU 67 N 0.00 0.06 -0.88 1.90 4.11 0.40 -3.36 114.58 116.80 2be5 h GLU 67 Ca 0.16 -0.10 0.14 0.00 0.07 0.00 0.00 59.36 59.63 2be5 h GLU 67 Cb 0.72 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 2be5 h GLU 67 CO -0.00 1.05 0.57 1.25 0.07 0.00 0.00 179.01 181.94 2be5 h LEU 68 N -0.83 0.64 -2.42 3.06 5.85 -0.40 0.36 115.31 121.57 2be5 h LEU 68 Ca -0.27 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2be5 h LEU 68 Cb 1.36 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 2be5 h LEU 68 CO -0.11 0.33 0.09 0.25 -0.34 0.00 0.00 178.44 178.66 2be5 h LEU 69 N 0.68 0.00-10.48 2.25 6.46 -1.28 -3.41 115.31 109.54 2be5 h LEU 69 Ca 0.44 0.00 -0.44 0.00 -0.12 0.00 0.00 57.88 57.75 2be5 h LEU 69 Cb 0.71 0.00 0.05 0.00 -0.73 0.00 0.00 40.66 40.69 2be5 h LEU 69 CO -0.20 0.00 -0.01 -0.89 -0.62 0.00 0.00 178.44 176.72 2be5 s THR 70 N -4.57 2.92 -0.67 1.05 2.01 0.12 -5.02 115.64 111.49 2be5 s THR 70 Ca -0.05 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 2be5 s THR 70 Cb 0.15 -3.11 0.45 0.00 0.01 0.00 0.00 72.50 70.00 2be5 s THR 70 CO 0.52 -0.08 2.03 0.61 -0.69 0.00 0.00 174.62 177.01 2be5 n GLY 71 N -2.36 5.88 0.13 4.40 0.00 -1.26 -4.54 105.19 107.44 2be5 n GLY 71 Ca 0.07 -2.32 -0.19 0.00 0.00 0.00 0.00 46.02 43.57 2be5 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2be5 n ARG 72 N -0.91 0.69 -1.47 1.61 1.74 -1.26 -4.99 116.66 112.07 2be5 n ARG 72 Ca 0.63 0.20 -0.30 0.00 -0.77 0.00 0.00 57.85 57.60 2be5 n ARG 72 Cb 0.66 -1.59 0.10 0.00 -1.02 0.00 0.00 32.46 30.61 2be5 n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2be5 s LEU 73 N -6.73 2.56 -0.10 0.55 1.43 -1.26 -5.07 118.68 110.06 2be5 s LEU 73 Ca -0.31 1.37 -0.03 0.00 -1.03 0.00 0.00 54.13 54.14 2be5 s LEU 73 Cb 0.08 -3.96 0.04 0.00 0.03 0.00 0.00 46.19 42.39 2be5 s LEU 73 CO 0.66 -2.10 0.09 -0.69 0.23 0.00 0.00 176.35 174.54 2be5 s VAL 74 N -3.10 -0.12 -0.19 -1.59 1.01 -1.26 -5.09 120.40 110.06 2be5 s VAL 74 Ca 0.61 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 2be5 s VAL 74 Cb -0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 2be5 s VAL 74 CO 0.55 -0.00 -0.09 0.72 0.00 0.00 0.00 175.10 176.28 2be5 s PHE 75 N 2.18 2.90 0.41 5.22 -0.12 -1.26 -5.06 117.98 122.24 2be5 s PHE 75 Ca 0.04 -0.90 0.04 0.00 -0.05 0.00 0.00 56.93 56.06 2be5 s PHE 75 Cb -0.14 -2.00 -0.02 0.00 -0.63 0.00 0.00 43.02 40.23 2be5 s PHE 75 CO -0.06 -0.45 0.15 0.20 -0.05 0.00 0.00 175.22 175.01 2be5 s GLY 76 N 1.08 2.62 0.04 1.99 0.00 -1.26 -5.05 107.32 106.74 2be5 s GLY 76 Ca 0.00 -1.29 -0.14 0.00 0.00 0.00 0.00 44.72 43.29 2be5 s GLY 76 CO -0.02 -1.79 1.05 0.83 0.00 0.00 0.00 173.10 173.18 2be5 h GLU 77 N 1.80 0.54 -1.77 2.90 4.39 -2.04 -3.41 114.58 117.00 2be5 h GLU 77 Ca -0.34 -0.84 -0.41 0.00 0.34 0.00 0.00 59.36 58.11 2be5 h GLU 77 Cb 1.27 0.30 -0.29 0.00 -0.10 0.00 0.00 28.75 29.94 2be5 h GLU 77 CO 0.53 1.40 -0.78 0.09 -1.16 0.00 0.00 179.01 179.09 2be5 n ASN 78 N -3.72 -1.71 -0.09 1.42 3.02 -1.26 -5.03 115.26 107.89 2be5 n ASN 78 Ca -0.15 -2.61 -0.13 0.00 -0.03 0.00 0.00 54.58 51.66 2be5 n ASN 78 Cb 1.06 0.41 -0.06 0.00 -0.61 0.00 0.00 39.78 40.58 2be5 n ASN 78 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2be5 h LEU 79 N 5.31 0.00 -7.74 3.41 5.85 -1.98 -3.47 115.31 116.69 2be5 h LEU 79 Ca 0.17 -0.26 -0.48 0.00 0.84 0.00 0.00 57.88 58.15 2be5 h LEU 79 Cb 0.99 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.67 2be5 h LEU 79 CO 0.23 1.09 -0.79 -0.69 -0.34 0.00 0.00 178.44 177.93 2be5 s VAL 80 N -2.27 0.83 -0.30 1.05 1.01 -1.26 -5.10 120.40 114.37 2be5 s VAL 80 Ca -0.21 -0.22 -0.34 0.00 0.00 0.00 0.00 61.98 61.21 2be5 s VAL 80 Cb 0.04 -0.85 -0.15 0.00 0.00 0.00 0.00 36.38 35.42 2be5 s VAL 80 CO 0.39 0.31 1.11 -2.65 0.00 0.00 0.00 175.10 174.27 2be5 n PRO 81 N 4.51 0.00 -0.23 2.72 -0.02 -1.26 -4.82 135.00 135.90 2be5 n PRO 81 Ca -0.17 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.35 2be5 n PRO 81 Cb 0.51 -1.12 0.08 0.00 -0.02 0.00 0.00 33.50 32.95 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 2.60 -0.07 -0.03 -0.52 -0.58 -1.26 -2.51 120.64 118.28 2be5 n GLU 82 Ca 0.21 0.99 0.03 0.00 -0.42 0.00 0.00 57.16 57.97 2be5 n GLU 82 Cb -0.02 -1.47 -0.15 0.00 -0.57 0.00 0.00 31.44 29.23 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 -5.02 0.16 0.16 1.62 -0.08 -1.26 -4.25 116.55 107.87 2be5 n ASP 83 Ca 0.10 0.07 0.13 0.00 -1.51 0.00 0.00 54.79 53.58 2be5 n ASP 83 Cb 0.31 1.35 0.53 0.00 2.34 0.00 0.00 41.12 45.65 2be5 n ASP 83 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2be5 h ARG 84 N 0.00 0.00 0.29 -0.67 9.65 -1.86 -3.24 114.38 118.55 2be5 h ARG 84 Ca -0.19 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 2be5 h ARG 84 Cb 1.47 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.05 2be5 h ARG 84 CO 0.02 0.00 -0.14 1.25 2.80 0.00 0.00 179.97 183.90 2be5 h LEU 85 N 0.00 -0.33 -2.07 3.80 6.46 -1.71 -2.77 115.31 118.68 2be5 h LEU 85 Ca 0.00 -0.20 0.02 0.00 -0.12 0.00 0.00 57.88 57.57 2be5 h LEU 85 Cb 0.41 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.43 2be5 h LEU 85 CO 0.00 0.14 0.05 0.06 -0.62 0.00 0.00 178.44 178.06 2be5 h GLN 86 N -0.91 0.00 0.34 1.25 3.07 -1.79 -1.29 115.11 115.79 2be5 h GLN 86 Ca -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.68 2be5 h GLN 86 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.07 2be5 h GLN 86 CO 0.06 0.00 -0.16 -0.22 0.09 0.00 0.00 178.83 178.60 2be5 h LYS 87 N 0.00 -0.44 -0.32 0.06 3.64 -1.61 -2.68 116.57 115.22 2be5 h LYS 87 Ca 0.03 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2be5 h LYS 87 Cb 0.12 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2be5 h LYS 87 CO -0.00 -0.12 0.22 0.93 -2.27 0.00 0.00 179.45 178.21 2be5 h GLU 88 N -0.90 0.31 -0.19 1.90 4.39 -1.19 -2.13 114.58 116.78 2be5 h GLU 88 Ca -0.05 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 2be5 h GLU 88 Cb 0.53 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2be5 h GLU 88 CO 0.08 0.21 -0.41 1.98 -1.16 0.00 0.00 179.01 179.70 2be5 h MET 89 N 0.32 0.61 -0.62 2.33 4.05 -1.28 -2.80 114.93 117.54 2be5 h MET 89 Ca 0.13 -0.40 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 2be5 h MET 89 Cb 0.12 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 2be5 h MET 89 CO -0.03 1.02 0.41 0.93 0.23 0.00 0.00 176.91 179.47 2be5 h GLU 90 N 0.28 0.83 -0.62 0.39 5.08 -1.09 -1.30 114.58 118.14 2be5 h GLU 90 Ca 0.00 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2be5 h GLU 90 Cb 1.01 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 2be5 h GLU 90 CO 0.09 0.56 0.30 0.00 -1.00 0.00 0.00 179.01 178.95 2be5 h ARG 91 N 0.85 0.52 0.00 2.33 -0.00 -1.39 -3.25 114.38 113.44 2be5 h ARG 91 Ca 0.23 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.98 59.64 2be5 h ARG 91 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 29.76 2be5 h ARG 91 CO -0.05 0.34 -1.52 -0.89 0.00 0.00 0.00 179.97 177.85 2be5 n ILE 92 N -4.89 0.48 -3.96 2.04 5.41 -1.06 -4.88 119.36 112.49 2be5 n ILE 92 Ca 0.08 -0.56 -0.34 0.00 1.00 0.00 0.00 62.75 62.93 2be5 n ILE 92 Cb 0.22 -0.25 -0.14 0.00 -0.71 0.00 0.00 39.64 38.76 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 -3.33 3.20 0.45 1.39 1.51 -0.51 -5.10 117.35 114.95 2be5 s TYR 93 Ca -0.04 -1.86 -0.03 0.00 -1.01 0.00 0.00 57.07 54.12 2be5 s TYR 93 Cb 0.11 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 2be5 s TYR 93 CO 0.84 -0.80 0.72 -2.14 -1.11 0.00 0.00 175.55 173.07 2be5 s PRO 94 N 1.25 3.43 0.00 -1.71 0.02 -1.26 -4.70 135.00 132.03 2be5 s PRO 94 Ca -0.04 -0.02 0.00 0.00 0.02 0.00 0.00 61.00 60.96 2be5 s PRO 94 Cb -0.19 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.87 2be5 s PRO 94 CO -0.03 -0.16 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 2be5 n GLY 95 N -2.15 2.72 2.73 0.52 0.00 -1.26 -4.79 105.19 102.97 2be5 n GLY 95 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2be5 n GLY 95 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50