#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bl5 s LEU 2 N 0.00 2.83 -0.03 2.61 2.96 -0.14 -5.00 118.68 121.90 2bl5 s LEU 2 Ca 0.00 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2bl5 s LEU 2 Cb 0.00 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 45.08 2bl5 s LEU 2 CO 0.00 0.24 -0.09 -1.10 -1.32 0.00 0.00 176.35 174.08 2bl5 s GLN 3 N -0.08 1.04 -0.20 1.98 -0.21 -1.26 -0.11 119.66 120.82 2bl5 s GLN 3 Ca -0.01 -0.29 -0.01 0.00 0.02 0.00 0.00 55.36 55.07 2bl5 s GLN 3 Cb -0.14 -0.96 0.01 0.00 1.00 0.00 0.00 33.01 32.93 2bl5 s GLN 3 CO 0.03 0.08 -0.14 -1.21 -2.12 0.00 0.00 175.29 171.93 2bl5 s GLU 4 N 0.35 3.05 -0.30 2.91 2.02 -0.63 -4.99 118.70 121.12 2bl5 s GLU 4 Ca -0.06 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.03 2bl5 s GLU 4 Cb -0.10 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2bl5 s GLU 4 CO 0.01 -0.24 0.15 0.15 0.02 0.00 0.00 175.26 175.35 2bl5 s LYS 5 N 1.34 3.48 -0.53 1.61 3.01 -1.26 -1.74 119.74 125.64 2bl5 s LYS 5 Ca 0.04 -0.62 -0.12 0.00 -1.01 0.00 0.00 55.97 54.26 2bl5 s LYS 5 Cb -0.14 -3.57 0.13 0.00 -1.01 0.00 0.00 37.83 33.25 2bl5 s LYS 5 CO -0.09 -0.35 0.45 -0.51 0.51 0.00 0.00 175.35 175.35 2bl5 s LEU 6 N 1.64 5.97 0.30 3.17 1.43 0.28 -4.93 118.68 126.54 2bl5 s LEU 6 Ca 0.05 -1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 50.90 2bl5 s LEU 6 Cb -0.17 -2.10 -0.10 0.00 0.03 0.00 0.00 46.19 43.85 2bl5 s LEU 6 CO 0.07 -0.74 1.21 -0.31 0.23 0.00 0.00 176.35 176.81 2bl5 s TYR 7 N 1.30 3.31 -0.17 0.29 1.51 -1.26 -0.95 117.35 121.37 2bl5 s TYR 7 Ca 0.06 1.53 -0.01 0.00 -1.01 0.00 0.00 57.07 57.64 2bl5 s TYR 7 Cb -0.26 -3.49 0.05 0.00 -0.11 0.00 0.00 41.96 38.14 2bl5 s TYR 7 CO -0.00 -1.26 -0.01 0.14 -1.11 0.00 0.00 175.55 173.30 2bl5 s VAL 8 N -1.04 0.84 -0.85 0.71 -7.23 -0.96 -4.92 120.40 106.96 2bl5 s VAL 8 Ca 0.47 -0.58 -0.25 0.00 -1.81 0.00 0.00 61.98 59.82 2bl5 s VAL 8 Cb -0.36 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 2bl5 s VAL 8 CO 0.46 -0.01 1.86 -2.16 -0.31 0.00 0.00 175.10 174.94 2bl5 s PRO 9 N 1.73 2.69 0.48 4.82 0.04 -1.26 -4.34 135.00 139.16 2bl5 s PRO 9 Ca -0.00 -0.19 0.19 0.00 0.04 0.00 0.00 61.00 61.04 2bl5 s PRO 9 Cb -0.16 -4.93 1.18 0.00 0.04 0.00 0.00 34.50 30.63 2bl5 s PRO 9 CO -0.07 -3.10 2.03 -0.24 0.04 0.00 0.00 177.00 175.66 2bl5 h VAL 10 N 7.11 0.93 0.00 -0.36 3.04 -1.86 0.14 116.25 125.25 2bl5 h VAL 10 Ca 0.03 -0.57 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2bl5 h VAL 10 Cb 1.04 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2bl5 h VAL 10 CO 1.24 0.15 0.00 0.07 -1.01 0.00 0.00 177.57 178.02 2bl5 h LYS 11 N 0.00 0.00 0.02 4.17 5.09 -1.95 -1.80 116.57 122.10 2bl5 h LYS 11 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 60.65 60.50 2bl5 h LYS 11 Cb 0.31 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.62 2bl5 h LYS 11 CO 0.02 0.00 -1.15 0.93 -2.09 0.00 0.00 179.45 177.16 2bl5 h GLU 12 N 0.00 0.05 -2.82 0.07 4.39 -1.12 -3.40 114.58 111.75 2bl5 h GLU 12 Ca 0.00 -0.09 -0.61 0.00 0.34 0.00 0.00 59.36 59.00 2bl5 h GLU 12 Cb 0.51 0.03 -0.41 0.00 -0.10 0.00 0.00 28.75 28.78 2bl5 h GLU 12 CO 0.00 0.98 -0.66 0.66 -1.16 0.00 0.00 179.01 178.83 2bl5 n TYR 13 N -3.34 2.49 0.27 4.33 4.01 -0.70 -4.96 117.16 119.26 2bl5 n TYR 13 Ca -0.04 -4.10 0.11 0.00 -0.16 0.00 0.00 57.90 53.71 2bl5 n TYR 13 Cb 0.97 -0.46 0.75 0.00 -0.31 0.00 0.00 39.34 40.29 2bl5 n TYR 13 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2bl5 h PRO 14 N 5.23 0.00 0.00 -0.72 0.11 -1.73 -1.24 132.00 133.66 2bl5 h PRO 14 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2bl5 h PRO 14 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2bl5 h PRO 14 CO 0.67 0.06 -0.98 -3.47 -0.21 0.00 0.00 178.00 174.06 2bl5 n ASP 15 N -4.04 0.71 -4.47 -2.05 2.03 -1.26 -4.82 116.55 102.66 2bl5 n ASP 15 Ca -0.03 -0.54 -0.43 0.00 0.52 0.00 0.00 54.79 54.31 2bl5 n ASP 15 Cb 0.14 0.86 -0.07 0.00 -0.72 0.00 0.00 41.12 41.33 2bl5 n ASP 15 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2bl5 s PHE 16 N -3.10 3.12 -0.69 -0.67 5.36 -0.47 -5.00 117.98 116.53 2bl5 s PHE 16 Ca 0.06 -0.44 -0.24 0.00 -0.96 0.00 0.00 56.93 55.35 2bl5 s PHE 16 Cb 0.16 -3.20 0.06 0.00 -0.34 0.00 0.00 43.02 39.70 2bl5 s PHE 16 CO 0.82 -0.85 1.06 0.54 -1.46 0.00 0.00 175.22 175.33 2bl5 s ASN 17 N 2.21 6.19 0.12 6.13 6.03 -1.26 -4.88 114.94 129.47 2bl5 s ASN 17 Ca 0.14 -0.89 -0.19 0.00 -1.03 0.00 0.00 52.86 50.89 2bl5 s ASN 17 Cb -0.18 -2.46 -0.05 0.00 -3.03 0.00 0.00 41.25 35.53 2bl5 s ASN 17 CO 0.13 -1.54 1.72 -0.26 -2.03 0.00 0.00 177.10 175.13 2bl5 h PHE 18 N 9.67 0.36 -0.25 1.54 0.04 -1.94 0.53 116.94 126.88 2bl5 h PHE 18 Ca -0.27 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.53 2bl5 h PHE 18 Cb 1.06 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 2bl5 h PHE 18 CO 1.02 0.30 0.06 0.28 -0.60 0.00 0.00 178.31 179.37 2bl5 h VAL 19 N 0.32 0.90 0.00 -0.55 2.07 -1.90 0.62 116.25 117.70 2bl5 h VAL 19 Ca 0.09 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2bl5 h VAL 19 Cb 0.05 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2bl5 h VAL 19 CO -0.02 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.22 2bl5 n GLY 20 N -1.19 -0.86 0.10 2.17 0.00 -0.87 0.08 105.19 104.63 2bl5 n GLY 20 Ca -0.01 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2bl5 n GLY 20 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bl5 n ARG 21 N -1.90 0.81 -0.08 1.61 0.63 0.18 -3.06 116.66 114.86 2bl5 n ARG 21 Ca 0.01 0.07 -0.15 0.00 -0.92 0.00 0.00 57.85 56.86 2bl5 n ARG 21 Cb 0.09 -1.45 -0.12 0.00 0.45 0.00 0.00 32.46 31.43 2bl5 n ARG 21 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2bl5 h ILE 22 N 0.00 1.47 0.00 5.15 2.04 0.61 -3.40 117.51 123.39 2bl5 h ILE 22 Ca -0.49 -2.21 -0.27 0.00 1.00 0.00 0.00 64.86 62.89 2bl5 h ILE 22 Cb 1.92 2.88 -0.05 0.00 -0.74 0.00 0.00 36.82 40.83 2bl5 h ILE 22 CO -0.03 0.50 -2.06 0.18 0.00 0.00 0.00 178.15 176.73 2bl5 n LEU 23 N -4.58 0.29 0.00 1.44 4.32 0.11 -2.17 117.00 116.41 2bl5 n LEU 23 Ca -0.14 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 55.98 2bl5 n LEU 23 Cb 0.49 0.31 0.00 0.00 -1.62 0.00 0.00 43.42 42.60 2bl5 n LEU 23 CO 0.28 0.36 0.29 0.61 -1.22 0.00 0.00 177.39 177.70 2bl5 n GLY 24 N 1.59 -3.53 0.08 -0.72 0.00 0.16 -1.37 105.19 101.40 2bl5 n GLY 24 Ca -0.23 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.47 2bl5 n GLY 24 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bl5 n PRO 25 N -1.22 0.64 -0.57 1.61 -0.04 -1.25 -4.59 135.00 129.58 2bl5 n PRO 25 Ca 0.00 0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2bl5 n PRO 25 Cb 0.00 -1.68 0.20 0.00 -0.04 0.00 0.00 33.50 31.98 2bl5 n PRO 25 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bl5 n ARG 26 N -2.72 1.60 0.26 0.54 1.74 -1.24 -4.78 116.66 112.06 2bl5 n ARG 26 Ca -0.14 -3.21 0.18 0.00 -0.77 0.00 0.00 57.85 53.90 2bl5 n ARG 26 Cb 0.85 -1.63 0.84 0.00 -1.02 0.00 0.00 32.46 31.51 2bl5 n ARG 26 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2bl5 h GLY 27 N 0.90 0.00 1.35 -0.13 0.00 -0.71 -0.36 103.07 104.12 2bl5 h GLY 27 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.44 2bl5 h GLY 27 CO 0.05 0.00 0.25 0.17 0.00 0.00 0.00 176.54 177.01 2bl5 h LEU 28 N 0.00 0.00 -0.55 3.11 8.10 -1.84 -1.57 115.31 122.56 2bl5 h LEU 28 Ca 0.06 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.02 2bl5 h LEU 28 Cb 0.67 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.87 2bl5 h LEU 28 CO -0.00 0.00 0.25 0.00 -4.11 0.00 0.00 178.44 174.58 2bl5 h THR 29 N 0.00 1.21 -0.40 0.15 1.03 -1.35 0.03 112.91 113.58 2bl5 h THR 29 Ca 0.13 -0.61 -0.10 0.00 -0.01 0.00 0.00 66.41 65.82 2bl5 h THR 29 Cb 0.62 0.59 -0.02 0.00 -1.07 0.00 0.00 68.15 68.27 2bl5 h THR 29 CO -0.00 0.24 -0.16 0.00 -0.01 0.00 0.00 175.52 175.59 2bl5 h ALA 30 N 1.09 0.97 -0.49 0.00 0.00 -1.49 -2.51 119.26 116.83 2bl5 h ALA 30 Ca 0.19 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2bl5 h ALA 30 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2bl5 h ALA 30 CO -0.02 0.60 -0.03 -0.22 0.00 0.00 0.00 179.25 179.58 2bl5 h LYS 31 N 0.66 0.84 -0.21 0.00 3.64 -1.19 -2.66 116.57 117.67 2bl5 h LYS 31 Ca 0.10 -0.25 -0.14 0.00 -1.27 0.00 0.00 60.65 59.09 2bl5 h LYS 31 Cb 0.64 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2bl5 h LYS 31 CO 0.05 0.86 -0.47 1.96 -2.27 0.00 0.00 179.45 179.57 2bl5 h GLN 32 N 0.78 0.54 -0.33 1.90 1.08 -0.69 -2.24 115.11 116.14 2bl5 h GLN 32 Ca 0.14 -0.30 -0.04 0.00 -1.45 0.00 0.00 58.65 57.00 2bl5 h GLN 32 Cb 0.51 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 2bl5 h GLN 32 CO 0.03 0.90 0.05 -0.07 -0.95 0.00 0.00 178.83 178.79 2bl5 h LEU 33 N 0.43 0.53 -0.54 1.46 3.38 -1.16 -0.36 115.31 119.05 2bl5 h LEU 33 Ca 0.02 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 2bl5 h LEU 33 Cb 0.99 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2bl5 h LEU 33 CO 0.09 0.66 -0.46 1.05 0.09 0.00 0.00 178.44 179.87 2bl5 h GLU 34 N 0.38 0.66 -0.58 1.13 4.11 -1.47 0.35 114.58 119.17 2bl5 h GLU 34 Ca 0.10 -0.37 -0.05 0.00 0.07 0.00 0.00 59.36 59.12 2bl5 h GLU 34 Cb 0.35 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 2bl5 h GLU 34 CO 0.01 0.98 0.18 0.00 0.07 0.00 0.00 179.01 180.24 2bl5 h ALA 35 N 0.97 0.76 0.00 1.06 0.00 -1.17 -3.06 119.26 117.82 2bl5 h ALA 35 Ca 0.03 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 2bl5 h ALA 35 Cb 1.00 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2bl5 h ALA 35 CO 0.09 0.43 -1.57 0.39 0.00 0.00 0.00 179.25 178.60 2bl5 n GLU 36 N -4.41 0.56 0.19 0.00 1.02 -0.16 -4.52 120.64 113.31 2bl5 n GLU 36 Ca 0.03 0.46 0.05 0.00 -0.02 0.00 0.00 57.16 57.68 2bl5 n GLU 36 Cb 0.21 -1.65 0.37 0.00 -0.02 0.00 0.00 31.44 30.35 2bl5 n GLU 36 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2bl5 h THR 37 N -1.00 0.96 0.00 2.62 1.35 -0.44 -3.46 112.91 112.93 2bl5 h THR 37 Ca -0.41 -1.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2bl5 h THR 37 Cb 1.31 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.56 2bl5 h THR 37 CO -0.25 0.36 0.00 0.61 -0.25 0.00 0.00 175.52 175.99 2bl5 n GLY 38 N -0.00 0.74 3.95 5.82 0.00 -1.15 -4.65 105.19 109.89 2bl5 n GLY 38 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2bl5 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bl5 s LYS 40 N -5.44 0.96 -0.54 0.00 -2.85 0.25 -4.01 119.74 108.11 2bl5 s LYS 40 Ca 0.66 -1.49 -0.28 0.00 -1.00 0.00 0.00 55.97 53.86 2bl5 s LYS 40 Cb -0.07 -2.13 0.02 0.00 -2.06 0.00 0.00 37.83 33.59 2bl5 s LYS 40 CO 0.47 -1.07 1.34 -1.50 0.10 0.00 0.00 175.35 174.70 2bl5 s ILE 41 N 1.05 3.88 -0.13 3.79 2.07 -1.26 -2.94 121.20 127.67 2bl5 s ILE 41 Ca 0.13 0.79 -0.03 0.00 -1.41 0.00 0.00 60.65 60.13 2bl5 s ILE 41 Cb -0.21 -4.50 -0.03 0.00 0.13 0.00 0.00 42.46 37.85 2bl5 s ILE 41 CO -0.13 -1.16 -0.01 0.00 -1.91 0.00 0.00 174.94 171.73 2bl5 s MET 42 N 5.24 3.43 -0.38 3.50 0.23 0.16 -4.87 119.30 126.61 2bl5 s MET 42 Ca 0.51 -0.46 -0.24 0.00 -1.03 0.00 0.00 55.69 54.47 2bl5 s MET 42 Cb -0.10 -2.90 0.01 0.00 -1.53 0.00 0.00 34.83 30.31 2bl5 s MET 42 CO 0.26 0.43 0.84 0.08 -2.03 0.00 0.00 175.02 174.61 2bl5 s VAL 43 N -0.14 4.66 0.47 5.16 1.01 -1.26 -0.83 120.40 129.47 2bl5 s VAL 43 Ca 0.04 0.95 0.09 0.00 0.00 0.00 0.00 61.98 63.06 2bl5 s VAL 43 Cb -0.13 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.01 2bl5 s VAL 43 CO 0.02 -0.52 0.64 -0.13 0.00 0.00 0.00 175.10 175.12 2bl5 s ARG 44 N 3.29 2.66 0.02 2.72 0.52 0.19 -4.48 118.95 123.87 2bl5 s ARG 44 Ca 0.34 -1.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2bl5 s ARG 44 Cb -0.12 -2.72 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2bl5 s ARG 44 CO 0.19 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.45 2bl5 n GLY 45 N -1.98 -1.92 3.60 -3.53 0.00 0.38 0.40 105.19 102.15 2bl5 n GLY 45 Ca 0.10 -2.05 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 2bl5 n GLY 45 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bl5 s LYS 46 N -0.09 3.70 0.00 1.61 -2.85 -1.14 -3.49 119.74 117.48 2bl5 s LYS 46 Ca 0.00 0.73 0.00 0.00 -1.00 0.00 0.00 55.97 55.70 2bl5 s LYS 46 Cb 0.00 -3.94 0.00 0.00 -2.06 0.00 0.00 37.83 31.83 2bl5 s LYS 46 CO 0.00 -1.41 0.00 0.41 0.10 0.00 0.00 175.35 174.45 2bl5 n GLY 47 N 4.86 1.96 0.22 0.59 0.00 -1.26 -4.74 105.19 106.81 2bl5 n GLY 47 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 2bl5 n GLY 47 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bl5 h SER 48 N 0.00 -0.41 -0.44 1.61 0.87 -1.78 -3.39 113.55 110.01 2bl5 h SER 48 Ca 0.00 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 60.25 2bl5 h SER 48 Cb 0.00 0.11 -0.32 0.00 -0.44 0.00 0.00 62.40 61.75 2bl5 h SER 48 CO 0.00 -0.02 -0.82 0.23 -0.53 0.00 0.00 176.83 175.69 2bl5 n MET 49 N -4.82 2.43 0.00 2.24 2.81 -1.26 -4.92 117.12 113.60 2bl5 n MET 49 Ca -0.06 -3.63 0.00 0.00 -1.81 0.00 0.00 57.70 52.20 2bl5 n MET 49 Cb 0.19 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 2bl5 n MET 49 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2bl5 n ARG 50 N -0.67 0.00 -2.37 0.03 5.12 -1.26 -4.61 116.66 112.89 2bl5 n ARG 50 Ca 0.27 0.00 -0.39 0.00 -1.93 0.00 0.00 57.85 55.80 2bl5 n ARG 50 Cb 0.89 -1.18 -0.03 0.00 -1.16 0.00 0.00 32.46 30.98 2bl5 n ARG 50 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2bl5 s ASP 51 N 0.02 6.82 0.28 0.55 1.01 -1.26 -4.93 116.67 119.15 2bl5 s ASP 51 Ca 0.00 2.31 -0.02 0.00 0.71 0.00 0.00 52.55 55.55 2bl5 s ASP 51 Cb 0.00 -2.62 0.42 0.00 1.01 0.00 0.00 42.92 41.73 2bl5 s ASP 51 CO 0.00 -0.47 1.92 0.11 0.21 0.00 0.00 175.17 176.94 2bl5 h LYS 52 N 3.06 1.13 -0.77 8.23 1.57 -2.00 -1.38 116.57 126.41 2bl5 h LYS 52 Ca -0.48 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.19 2bl5 h LYS 52 Cb 1.22 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2bl5 h LYS 52 CO 0.64 0.75 0.31 1.57 -0.57 0.00 0.00 179.45 182.15 2bl5 h LYS 53 N 1.17 1.15 -0.51 3.15 2.10 -1.93 -2.58 116.57 119.11 2bl5 h LYS 53 Ca 0.38 -0.21 -0.07 0.00 -2.00 0.00 0.00 60.65 58.76 2bl5 h LYS 53 Cb 0.05 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.17 2bl5 h LYS 53 CO -0.12 0.93 0.06 0.87 -2.00 0.00 0.00 179.45 179.18 2bl5 h LYS 54 N 1.11 0.86 0.00 0.07 6.56 -1.53 -0.50 116.57 123.14 2bl5 h LYS 54 Ca 0.26 -0.25 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 2bl5 h LYS 54 Cb 0.21 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.78 2bl5 h LYS 54 CO -0.02 0.87 -0.04 1.05 -2.06 0.00 0.00 179.45 179.25 2bl5 h GLU 55 N 0.74 0.00 0.00 3.15 4.11 -1.29 0.67 114.58 121.95 2bl5 h GLU 55 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.56 2bl5 h GLU 55 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2bl5 h GLU 55 CO 0.02 0.04 -0.09 0.93 0.07 0.00 0.00 179.01 179.97 2bl5 h GLU 56 N 0.00 0.00 0.00 1.06 5.08 -0.96 -3.37 114.58 116.39 2bl5 h GLU 56 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2bl5 h GLU 56 Cb 0.45 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 2bl5 h GLU 56 CO 0.00 0.86 -2.14 1.04 -1.00 0.00 0.00 179.01 177.78 2bl5 n GLN 57 N -4.62 0.46 0.00 2.33 6.02 -0.27 -4.49 117.38 116.82 2bl5 n GLN 57 Ca -0.10 0.20 0.02 0.00 -0.01 0.00 0.00 57.00 57.11 2bl5 n GLN 57 Cb 0.43 -1.28 0.11 0.00 1.02 0.00 0.00 30.24 30.52 2bl5 n GLN 57 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2bl5 n ASN 58 N -4.01 0.00 -4.63 1.08 5.03 0.18 -4.88 115.26 108.04 2bl5 n ASN 58 Ca -0.41 -1.68 -0.39 0.00 0.87 0.00 0.00 54.58 52.96 2bl5 n ASN 58 Cb 0.78 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.57 2bl5 n ASN 58 CO 0.00 0.00 0.00 -2.11 -1.83 0.00 0.00 177.26 173.32 2bl5 n ARG 59 N -0.56 1.21 -0.28 3.52 1.85 0.18 -2.71 116.66 119.86 2bl5 n ARG 59 Ca 0.03 0.45 0.00 0.00 -1.00 0.00 0.00 57.85 57.32 2bl5 n ARG 59 Cb 0.01 -2.15 0.00 0.00 -1.05 0.00 0.00 32.46 29.27 2bl5 n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2bl5 n GLY 60 N 1.18 2.29 3.91 2.89 0.00 -1.26 -5.00 105.19 109.20 2bl5 n GLY 60 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2bl5 n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bl5 s LYS 61 N -0.02 2.62 0.12 1.61 -2.85 -1.10 -4.69 119.74 115.42 2bl5 s LYS 61 Ca 0.00 -1.45 0.09 0.00 -1.00 0.00 0.00 55.97 53.61 2bl5 s LYS 61 Cb 0.00 -2.47 0.39 0.00 -2.06 0.00 0.00 37.83 33.69 2bl5 s LYS 61 CO 0.00 -0.19 0.39 -2.30 0.10 0.00 0.00 175.35 173.35 2bl5 n PRO 62 N -1.61 -0.01 -0.09 1.78 -0.02 -1.26 0.20 135.00 134.00 2bl5 n PRO 62 Ca 0.04 0.30 -0.03 0.00 -2.02 0.00 0.00 63.50 61.79 2bl5 n PRO 62 Cb 0.61 -0.62 0.19 0.00 -0.02 0.00 0.00 33.50 33.66 2bl5 n PRO 62 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2bl5 h ASN 63 N 0.00 0.70 0.59 2.55 2.35 -1.93 -1.19 115.58 118.65 2bl5 h ASN 63 Ca 0.22 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 2bl5 h ASN 63 Cb 0.77 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 2bl5 h ASN 63 CO -0.09 0.76 -1.52 0.79 -1.65 0.00 0.00 177.43 175.73 2bl5 n TRP 64 N -4.24 0.77 -0.02 1.19 7.02 0.13 -2.50 117.44 119.80 2bl5 n TRP 64 Ca 0.03 0.25 -0.10 0.00 -1.02 0.00 0.00 57.50 56.66 2bl5 n TRP 64 Cb 0.28 -0.99 -0.03 0.00 -2.42 0.00 0.00 31.31 28.14 2bl5 n TRP 64 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2bl5 h GLU 65 N 0.00 -0.34 -0.06 -0.99 4.81 -1.03 -2.28 114.58 114.70 2bl5 h GLU 65 Ca -0.16 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2bl5 h GLU 65 Cb 1.49 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2bl5 h GLU 65 CO 0.03 -0.23 0.00 -2.39 -0.73 0.00 0.00 179.01 175.70 2bl5 n HIS 66 N -5.40 0.04 0.28 0.92 1.44 -0.53 -4.09 115.22 107.89 2bl5 n HIS 66 Ca -0.02 -0.02 0.12 0.00 -2.01 0.00 0.00 57.72 55.79 2bl5 n HIS 66 Cb 0.32 0.00 0.81 0.00 0.12 0.00 0.00 29.99 31.24 2bl5 n HIS 66 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2bl5 h LEU 67 N 3.95 0.00 -0.97 2.39 5.85 -1.09 0.15 115.31 125.59 2bl5 h LEU 67 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bl5 h LEU 67 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2bl5 h LEU 67 CO 0.00 0.00 0.00 -0.46 -0.34 0.00 0.00 178.44 177.64 2bl5 n ASN 68 N -4.11 1.45 -4.87 1.25 0.23 -1.23 -2.92 115.26 105.07 2bl5 n ASN 68 Ca -0.03 -1.69 -0.21 0.00 -0.53 0.00 0.00 54.58 52.12 2bl5 n ASN 68 Cb 0.09 -0.10 0.08 0.00 -2.08 0.00 0.00 39.78 37.77 2bl5 n ASN 68 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2bl5 s GLU 69 N -1.81 2.03 0.15 -3.83 2.02 -0.25 -5.00 118.70 112.01 2bl5 s GLU 69 Ca 0.31 -1.40 -0.18 0.00 0.02 0.00 0.00 54.97 53.72 2bl5 s GLU 69 Cb 0.16 -2.51 -0.07 0.00 0.10 0.00 0.00 34.13 31.81 2bl5 s GLU 69 CO 0.25 -1.12 0.62 0.34 0.02 0.00 0.00 175.26 175.37 2bl5 s ASP 70 N -4.69 6.99 -0.19 -0.19 -1.08 -1.26 -2.89 116.67 113.35 2bl5 s ASP 70 Ca 0.64 1.26 -0.35 0.00 -0.52 0.00 0.00 52.55 53.58 2bl5 s ASP 70 Cb -0.06 -2.36 -0.12 0.00 -1.46 0.00 0.00 42.92 38.93 2bl5 s ASP 70 CO 0.41 0.14 1.96 -0.11 0.52 0.00 0.00 175.17 178.09 2bl5 n LEU 71 N 1.08 2.99 -3.89 -1.34 7.94 -1.26 -3.84 117.00 118.70 2bl5 n LEU 71 Ca -0.06 0.79 -0.09 0.00 -1.11 0.00 0.00 56.01 55.55 2bl5 n LEU 71 Cb 0.51 -1.33 -0.07 0.00 0.53 0.00 0.00 43.42 43.06 2bl5 n LEU 71 CO 0.42 -0.31 -0.08 -1.38 -1.11 0.00 0.00 177.39 174.93 2bl5 s HIS 72 N 5.12 0.22 -0.11 1.96 -3.43 0.16 -2.26 115.29 116.95 2bl5 s HIS 72 Ca 0.98 -0.64 -0.09 0.00 -0.80 0.00 0.00 55.06 54.51 2bl5 s HIS 72 Cb -0.75 -0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 30.28 2bl5 s HIS 72 CO 0.52 -0.58 0.20 0.14 -2.00 0.00 0.00 174.74 173.02 2bl5 s VAL 73 N -3.89 5.39 -0.14 -5.38 -7.23 -0.12 0.54 120.40 109.57 2bl5 s VAL 73 Ca 0.08 0.35 -0.02 0.00 -1.81 0.00 0.00 61.98 60.58 2bl5 s VAL 73 Cb 0.05 -3.48 0.04 0.00 0.56 0.00 0.00 36.38 33.55 2bl5 s VAL 73 CO -0.08 0.57 0.01 -0.22 -0.31 0.00 0.00 175.10 175.07 2bl5 s LEU 74 N -0.75 0.95 -0.50 1.32 2.96 -0.01 0.10 118.68 122.75 2bl5 s LEU 74 Ca 0.16 -0.47 -0.26 0.00 -0.22 0.00 0.00 54.13 53.34 2bl5 s LEU 74 Cb -0.13 -0.56 0.03 0.00 0.50 0.00 0.00 46.19 46.04 2bl5 s LEU 74 CO 0.05 -0.24 0.99 0.27 -1.32 0.00 0.00 176.35 176.10 2bl5 s ILE 75 N 1.89 4.35 -0.39 6.68 -4.36 -0.71 0.36 121.20 129.02 2bl5 s ILE 75 Ca 0.02 0.73 -0.13 0.00 -0.26 0.00 0.00 60.65 61.00 2bl5 s ILE 75 Cb -0.15 -4.52 0.02 0.00 1.25 0.00 0.00 42.46 39.06 2bl5 s ILE 75 CO -0.07 -0.99 0.26 -0.89 0.24 0.00 0.00 174.94 173.49 2bl5 s THR 76 N 4.06 5.01 -0.18 8.37 2.01 -1.15 -1.60 115.64 132.15 2bl5 s THR 76 Ca 0.38 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 2bl5 s THR 76 Cb -0.10 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.66 2bl5 s THR 76 CO 0.25 -0.24 -0.16 0.54 -0.69 0.00 0.00 174.62 174.32 2bl5 s VAL 77 N 1.64 2.39 -0.82 3.82 0.11 0.85 0.87 120.40 129.26 2bl5 s VAL 77 Ca 0.04 -0.83 -0.19 0.00 -2.93 0.00 0.00 61.98 58.06 2bl5 s VAL 77 Cb -0.19 -2.03 0.12 0.00 -1.53 0.00 0.00 36.38 32.75 2bl5 s VAL 77 CO 0.09 0.51 1.03 -1.61 -3.33 0.00 0.00 175.10 171.79 2bl5 s GLU 78 N 1.26 3.42 0.04 1.54 8.01 -1.25 -0.97 118.70 130.75 2bl5 s GLU 78 Ca 0.04 -1.52 -0.07 0.00 0.01 0.00 0.00 54.97 53.43 2bl5 s GLU 78 Cb -0.14 -4.66 0.02 0.00 -4.31 0.00 0.00 34.13 25.05 2bl5 s GLU 78 CO -0.09 -1.74 0.32 -3.47 0.01 0.00 0.00 175.26 170.29 2bl5 n ASP 79 N 6.71 -0.48 0.00 -0.19 2.03 -1.26 -5.02 116.55 118.33 2bl5 n ASP 79 Ca 0.13 -1.23 0.00 0.00 0.52 0.00 0.00 54.79 54.21 2bl5 n ASP 79 Cb 0.47 0.78 0.00 0.00 -0.72 0.00 0.00 41.12 41.65 2bl5 n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bl5 n ALA 80 N -2.35 -0.26 -0.93 -1.67 0.00 -1.26 -4.59 120.51 109.44 2bl5 n ALA 80 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2bl5 n ALA 80 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2bl5 n ALA 80 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2bl5 n GLN 81 N -1.66 0.00 -0.07 0.00 7.27 -1.26 -4.88 117.38 116.78 2bl5 n GLN 81 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.97 2bl5 n GLN 81 Cb 0.00 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.58 2bl5 n GLN 81 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 2bl5 h ASN 82 N 0.00 -1.32 0.25 1.69 4.21 -1.98 0.24 115.58 118.68 2bl5 h ASN 82 Ca 0.00 0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 2bl5 h ASN 82 Cb 0.00 0.53 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 2bl5 h ASN 82 CO 0.00 -0.31 -0.12 0.08 -1.29 0.00 0.00 177.43 175.79 2bl5 h ARG 83 N -0.32 -0.33 -0.06 0.81 0.11 -2.00 -2.22 114.38 110.38 2bl5 h ARG 83 Ca 0.04 0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.13 2bl5 h ARG 83 Cb 0.45 0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.60 2bl5 h ARG 83 CO -0.40 -0.19 -0.05 0.00 0.10 0.00 0.00 179.97 179.44 2bl5 h ALA 84 N 0.36 0.08 -0.80 0.08 0.00 -1.82 -2.96 119.26 114.20 2bl5 h ALA 84 Ca -0.03 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.65 2bl5 h ALA 84 Cb 0.29 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2bl5 h ALA 84 CO 0.06 -0.14 0.53 1.05 0.00 0.00 0.00 179.25 180.74 2bl5 h GLU 85 N -0.29 0.94 -0.91 0.00 4.11 -0.55 -0.81 114.58 117.07 2bl5 h GLU 85 Ca 0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2bl5 h GLU 85 Cb 0.53 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2bl5 h GLU 85 CO 0.01 0.62 0.57 1.25 0.07 0.00 0.00 179.01 181.54 2bl5 h LEU 86 N 0.97 1.08 -0.14 3.06 5.85 -1.26 0.70 115.31 125.57 2bl5 h LEU 86 Ca 0.32 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 2bl5 h LEU 86 Cb 0.07 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 2bl5 h LEU 86 CO -0.10 0.81 -0.15 0.50 -0.34 0.00 0.00 178.44 179.16 2bl5 h LYS 87 N 1.25 0.35 -0.06 1.25 3.64 -1.02 -2.36 116.57 119.63 2bl5 h LYS 87 Ca 0.33 -0.19 -0.15 0.00 -1.27 0.00 0.00 60.65 59.37 2bl5 h LYS 87 Cb -0.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2bl5 h LYS 87 CO -0.07 0.75 -0.63 1.37 -2.27 0.00 0.00 179.45 178.60 2bl5 h LEU 88 N -0.03 0.25 -0.55 5.20 8.10 -1.06 -2.84 115.31 124.38 2bl5 h LEU 88 Ca 0.02 -0.15 -0.15 0.00 0.11 0.00 0.00 57.88 57.71 2bl5 h LEU 88 Cb 0.69 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.83 2bl5 h LEU 88 CO 0.04 0.82 -0.50 0.07 -4.11 0.00 0.00 178.44 174.75 2bl5 h LYS 89 N 0.16 0.58 -0.47 0.17 5.09 0.42 0.64 116.57 123.15 2bl5 h LYS 89 Ca -0.01 -0.34 -0.11 0.00 0.09 0.00 0.00 60.65 60.28 2bl5 h LYS 89 Cb 1.15 0.03 -0.02 0.00 0.10 0.00 0.00 32.23 33.49 2bl5 h LYS 89 CO 0.10 0.94 -0.16 0.07 -2.09 0.00 0.00 179.45 178.31 2bl5 h ARG 90 N 0.45 0.90 -0.29 0.07 0.11 -1.44 0.31 114.38 114.50 2bl5 h ARG 90 Ca 0.02 -0.34 -0.06 0.00 0.10 0.00 0.00 59.98 59.70 2bl5 h ARG 90 Cb 1.04 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.05 2bl5 h ARG 90 CO 0.10 0.99 -0.04 0.00 0.10 0.00 0.00 179.97 181.12 2bl5 h ALA 91 N 1.01 0.39 0.00 0.08 0.00 -1.23 -2.53 119.26 116.99 2bl5 h ALA 91 Ca 0.12 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2bl5 h ALA 91 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2bl5 h ALA 91 CO 0.05 0.18 -0.53 -0.24 0.00 0.00 0.00 179.25 178.71 2bl5 h VAL 92 N 0.30 1.27 0.00 0.00 3.04 0.42 -1.78 116.25 119.50 2bl5 h VAL 92 Ca 0.08 -1.88 -0.05 0.00 -1.01 0.00 0.00 66.70 63.83 2bl5 h VAL 92 Cb 0.49 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 2bl5 h VAL 92 CO 0.02 0.52 -0.25 -0.33 -1.01 0.00 0.00 177.57 176.52 2bl5 h GLU 93 N 0.00 0.00 -0.13 4.17 5.08 -0.30 0.66 114.58 124.06 2bl5 h GLU 93 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2bl5 h GLU 93 Cb 1.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2bl5 h GLU 93 CO 0.07 0.25 -0.40 0.93 -1.00 0.00 0.00 179.01 178.86 2bl5 h GLU 94 N 0.00 0.29 -0.13 2.33 5.08 -0.89 -1.89 114.58 119.37 2bl5 h GLU 94 Ca -0.00 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2bl5 h GLU 94 Cb 0.50 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2bl5 h GLU 94 CO 0.03 0.65 -0.36 0.28 -1.00 0.00 0.00 179.01 178.61 2bl5 h VAL 95 N 0.24 1.29 -0.88 3.13 2.07 -0.58 -1.85 116.25 119.67 2bl5 h VAL 95 Ca 0.02 -1.40 0.12 0.00 0.82 0.00 0.00 66.70 66.26 2bl5 h VAL 95 Cb 0.81 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 32.10 2bl5 h VAL 95 CO 0.06 0.42 0.57 0.50 0.02 0.00 0.00 177.57 179.14 2bl5 h LYS 96 N 0.23 0.75 0.00 1.57 1.63 0.10 0.90 116.57 121.75 2bl5 h LYS 96 Ca 0.03 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 2bl5 h LYS 96 Cb 0.75 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2bl5 h LYS 96 CO 0.06 0.49 -0.29 0.87 -3.45 0.00 0.00 179.45 177.13 2bl5 h LYS 97 N 0.77 0.00 0.02 1.90 1.79 -1.11 -3.33 116.57 116.60 2bl5 h LYS 97 Ca 0.43 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.79 2bl5 h LYS 97 Cb 0.57 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2bl5 h LYS 97 CO -0.19 0.29 -0.44 -0.07 -1.08 0.00 0.00 179.45 177.96 2bl5 h LEU 98 N 0.00 0.35 -0.41 2.94 3.38 0.41 -3.32 115.31 118.67 2bl5 h LEU 98 Ca -0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 2bl5 h LEU 98 Cb 1.22 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2bl5 h LEU 98 CO 0.04 1.12 0.00 0.00 0.09 0.00 0.00 178.44 179.69 2bl5 n LEU 99 N -4.35 0.15 -4.64 1.67 -0.00 0.27 -4.70 117.00 105.40 2bl5 n LEU 99 Ca -0.11 -0.08 -0.43 0.00 -0.00 0.00 0.00 56.01 55.40 2bl5 n LEU 99 Cb 0.61 -0.08 -0.02 0.00 -0.00 0.00 0.00 43.42 43.93 2bl5 n LEU 99 CO 0.43 0.04 1.05 -0.69 -0.00 0.00 0.00 177.39 178.22 2bl5 s VAL 100 N -1.59 4.32 -1.31 1.47 1.01 -1.25 -4.88 120.40 118.17 2bl5 s VAL 100 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2bl5 s VAL 100 Cb 0.00 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2bl5 s VAL 100 CO 0.00 -0.39 0.37 -0.81 0.00 0.00 0.00 175.10 174.27 2bl5 n PRO 101 N 6.97 0.57 -0.44 2.72 -0.04 -1.26 -4.95 135.00 138.57 2bl5 n PRO 101 Ca 0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.66 2bl5 n PRO 101 Cb 0.46 -1.20 -0.01 0.00 -0.04 0.00 0.00 33.50 32.71 2bl5 n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bl5 n ALA 102 N -0.01 -1.14 -2.34 0.55 0.00 -1.26 -4.98 120.51 111.34 2bl5 n ALA 102 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 2bl5 n ALA 102 Cb 0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 19.45 19.12 2bl5 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bl5 n ALA 103 N -0.81 -3.30 -0.74 0.00 0.00 -1.26 -4.95 120.51 109.45 2bl5 n ALA 103 Ca 0.00 1.71 0.09 0.00 0.00 0.00 0.00 53.44 55.24 2bl5 n ALA 103 Cb 0.20 -3.43 -0.05 0.00 0.00 0.00 0.00 19.45 16.18 2bl5 n ALA 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2bl5 n GLU 104 N 1.44 -1.70 -2.99 0.00 4.07 -1.26 -4.93 120.64 115.28 2bl5 n GLU 104 Ca -0.28 1.38 -0.15 0.00 -0.06 0.00 0.00 57.16 58.05 2bl5 n GLU 104 Cb 0.44 -2.00 0.02 0.00 -0.06 0.00 0.00 31.44 29.84 2bl5 n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2bl5 n GLY 105 N -3.25 2.15 3.56 8.31 0.00 -1.26 -5.06 105.19 109.64 2bl5 n GLY 105 Ca -0.04 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 2bl5 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bl5 s GLU 106 N -1.07 3.32 0.25 1.61 2.02 -1.26 -4.21 118.70 119.37 2bl5 s GLU 106 Ca 0.32 -0.90 0.00 0.00 0.02 0.00 0.00 54.97 54.41 2bl5 s GLU 106 Cb 0.30 -5.28 0.00 0.00 0.10 0.00 0.00 34.13 29.25 2bl5 s GLU 106 CO -0.09 -2.51 0.00 -3.47 0.02 0.00 0.00 175.26 169.22 2bl5 n ASP 107 N 10.19 -0.73 0.08 -0.19 2.03 -1.26 -4.86 116.55 121.81 2bl5 n ASP 107 Ca 0.35 0.45 -0.15 0.00 0.52 0.00 0.00 54.79 55.95 2bl5 n ASP 107 Cb 0.50 0.85 -0.14 0.00 -0.72 0.00 0.00 41.12 41.61 2bl5 n ASP 107 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2bl5 h SER 108 N 0.00 0.37 -0.48 1.67 4.64 -1.97 -2.29 113.55 115.49 2bl5 h SER 108 Ca 0.00 -0.44 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 2bl5 h SER 108 Cb 0.00 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.94 2bl5 h SER 108 CO 0.00 1.35 0.32 -0.07 -0.87 0.00 0.00 176.83 177.56 2bl5 h LEU 109 N 0.07 0.54 0.00 5.97 3.38 -1.91 -2.46 115.31 120.90 2bl5 h LEU 109 Ca -0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2bl5 h LEU 109 Cb 1.97 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2bl5 h LEU 109 CO 0.18 0.39 -0.20 0.11 0.09 0.00 0.00 178.44 179.01 2bl5 h LYS 110 N 0.65 0.00 -0.51 1.13 1.79 -1.90 -3.34 116.57 114.39 2bl5 h LYS 110 Ca 0.18 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.55 2bl5 h LYS 110 Cb -0.06 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 2bl5 h LYS 110 CO -0.04 0.00 -0.06 0.87 -1.08 0.00 0.00 179.45 179.14 2bl5 h LYS 111 N -0.59 0.94 0.00 3.15 1.57 -1.55 -2.89 116.57 117.21 2bl5 h LYS 111 Ca 0.00 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2bl5 h LYS 111 Cb 0.20 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2bl5 h LYS 111 CO 0.00 0.99 -0.08 0.52 -0.57 0.00 0.00 179.45 180.30 2bl5 h MET 112 N 0.81 0.00 -0.08 3.15 2.86 -1.51 0.42 114.93 120.57 2bl5 h MET 112 Ca 0.14 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.58 2bl5 h MET 112 Cb 0.60 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 2bl5 h MET 112 CO 0.04 0.08 -0.76 -0.22 1.06 0.00 0.00 176.91 177.12 2bl5 h LYS 113 N 0.00 0.46 0.00 1.72 3.11 -1.49 -1.28 116.57 119.09 2bl5 h LYS 113 Ca -0.00 -0.39 0.00 0.00 -2.81 0.00 0.00 60.65 57.45 2bl5 h LYS 113 Cb 0.85 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.16 2bl5 h LYS 113 CO 0.01 1.02 -0.37 1.28 -2.81 0.00 0.00 179.45 178.58 2bl5 n LEU 114 N -3.84 0.89 -0.07 5.20 4.77 -1.05 -4.41 117.00 118.48 2bl5 n LEU 114 Ca -0.05 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 2bl5 n LEU 114 Cb 0.72 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 2bl5 n LEU 114 CO 0.49 -0.43 0.11 -0.03 -1.33 0.00 0.00 177.39 176.19 2bl5 h MET 115 N -0.47 0.00 0.00 3.23 4.05 -1.15 -3.33 114.93 117.25 2bl5 h MET 115 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2bl5 h MET 115 Cb 0.37 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.17 2bl5 h MET 115 CO 0.00 0.82 0.00 0.39 0.23 0.00 0.00 176.91 178.35 2bl5 n GLU 116 N -4.60 0.11 0.28 0.39 -0.58 -0.95 -2.06 120.64 113.24 2bl5 n GLU 116 Ca -0.13 0.34 0.17 0.00 -0.42 0.00 0.00 57.16 57.13 2bl5 n GLU 116 Cb 0.45 -1.72 0.74 0.00 -0.57 0.00 0.00 31.44 30.34 2bl5 n GLU 116 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2bl5 h LEU 117 N 0.00 0.00 -1.28 -4.62 7.12 -1.33 -3.47 115.31 111.73 2bl5 h LEU 117 Ca 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 57.88 57.78 2bl5 h LEU 117 Cb 0.33 0.00 0.10 0.00 -0.53 0.00 0.00 40.66 40.55 2bl5 h LEU 117 CO 0.00 0.02 -0.45 0.00 -0.13 0.00 0.00 178.44 177.88 2bl5 n ALA 118 N -2.10 -1.01 -0.16 1.25 0.00 -0.87 -4.97 120.51 112.64 2bl5 n ALA 118 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2bl5 n ALA 118 Cb 0.28 -2.82 0.00 0.00 0.00 0.00 0.00 19.45 16.91 2bl5 n ALA 118 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2bl5 n ILE 119 N -3.60 0.00 -2.64 0.00 -5.35 -1.26 -2.99 119.36 103.53 2bl5 n ILE 119 Ca -0.07 1.42 -0.43 0.00 -0.27 0.00 0.00 62.75 63.40 2bl5 n ILE 119 Cb 0.57 -2.07 -0.01 0.00 -1.74 0.00 0.00 39.64 36.38 2bl5 n ILE 119 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2bl5 s LEU 120 N -4.80 3.95 0.05 7.28 2.01 -1.26 -4.70 118.68 121.20 2bl5 s LEU 120 Ca 0.00 -2.16 0.14 0.00 0.01 0.00 0.00 54.13 52.12 2bl5 s LEU 120 Cb 0.00 -2.54 -0.16 0.00 0.01 0.00 0.00 46.19 43.50 2bl5 s LEU 120 CO 0.00 -1.22 0.86 -0.55 1.01 0.00 0.00 176.35 176.44 2bl5 h ASN 121 N 8.32 0.00 0.00 2.29 7.08 -1.78 -3.49 115.58 128.00 2bl5 h ASN 121 Ca 0.33 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.55 2bl5 h ASN 121 Cb 0.93 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.17 2bl5 h ASN 121 CO 1.40 0.75 0.00 0.61 -2.08 0.00 0.00 177.43 178.11 2bl5 n GLY 122 N 1.43 3.66 0.15 9.14 0.00 -1.26 -4.93 105.19 113.38 2bl5 n GLY 122 Ca -0.10 -0.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.97 2bl5 n GLY 122 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2bl5 h THR 123 N 0.00 0.85 -3.65 2.61 2.02 -1.94 -3.25 112.91 109.55 2bl5 h THR 123 Ca 0.00 -0.07 -0.78 0.00 0.77 0.00 0.00 66.41 66.34 2bl5 h THR 123 Cb 0.00 0.64 -0.28 0.00 -1.74 0.00 0.00 68.15 66.77 2bl5 h THR 123 CO 0.00 0.04 0.18 -0.31 0.37 0.00 0.00 175.52 175.79 2bl5 s TYR 124 N -6.17 3.95 -0.19 3.16 2.02 -1.26 -4.79 117.35 114.07 2bl5 s TYR 124 Ca -0.13 -2.44 0.23 0.00 -0.37 0.00 0.00 57.07 54.36 2bl5 s TYR 124 Cb 0.12 -3.72 0.54 0.00 -0.40 0.00 0.00 41.96 38.50 2bl5 s TYR 124 CO 0.70 -0.94 1.67 -0.09 -1.57 0.00 0.00 175.55 175.33 2bl5 h ARG 125 N 7.09 0.00 -0.66 -0.62 9.65 -1.94 -2.89 114.38 125.02 2bl5 h ARG 125 Ca 0.13 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.20 2bl5 h ARG 125 Cb 0.94 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.50 2bl5 h ARG 125 CO 0.86 0.15 0.47 0.22 2.80 0.00 0.00 179.97 184.48 2bl5 h ASP 126 N 0.00 0.01 0.50 -3.80 1.82 -1.92 -0.00 116.42 113.02 2bl5 h ASP 126 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2bl5 h ASP 126 Cb 0.97 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.98 2bl5 h ASP 126 CO 0.02 0.00 0.00 0.00 -1.61 0.00 0.00 179.24 177.65 2bl5 n ALA 127 N -2.66 1.47 -0.24 -0.78 0.00 -1.09 -0.62 120.51 116.58 2bl5 n ALA 127 Ca 0.13 0.11 -0.07 0.00 0.00 0.00 0.00 53.44 53.61 2bl5 n ALA 127 Cb 0.72 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.86 2bl5 n ALA 127 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2bl5 h ASN 128 N 0.00 0.91 0.07 0.00 -1.24 -1.19 -3.19 115.58 110.93 2bl5 h ASN 128 Ca 0.00 -0.17 -0.27 0.00 0.71 0.00 0.00 56.30 56.57 2bl5 h ASN 128 Cb 0.25 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2bl5 h ASN 128 CO 0.00 0.83 -1.47 -0.07 -1.29 0.00 0.00 177.43 175.44 2bl5 h LEU 129 N 0.93 0.22 0.00 0.34 4.07 -1.60 -3.48 115.31 115.79 2bl5 h LEU 129 Ca 0.22 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.44 2bl5 h LEU 129 Cb 0.21 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2bl5 h LEU 129 CO -0.02 1.61 0.00 1.17 -1.08 0.00 0.00 178.44 180.13 2bl5 n LYS 130 N -4.04 0.00 -3.10 1.13 3.00 0.20 -3.86 118.16 111.50 2bl5 n LYS 130 Ca -0.29 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.04 2bl5 n LYS 130 Cb 0.84 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.86 2bl5 n LYS 130 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2bl5 s SER 131 N -4.00 -1.21 0.32 3.14 0.01 -1.26 -4.92 113.70 105.78 2bl5 s SER 131 Ca 0.00 -0.36 0.08 0.00 1.31 0.00 0.00 55.95 56.98 2bl5 s SER 131 Cb 0.00 1.61 0.54 0.00 0.21 0.00 0.00 66.02 68.38 2bl5 s SER 131 CO 0.00 -0.16 1.76 -0.65 0.41 0.00 0.00 173.24 174.59 2bl5 h PRO 132 N 6.94 0.23 0.00 12.44 0.11 -1.99 -3.44 132.00 146.29 2bl5 h PRO 132 Ca 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2bl5 h PRO 132 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2bl5 h PRO 132 CO 0.06 0.55 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 2bl5 n ALA 133 N -2.48 0.00 -2.40 -0.75 0.00 -1.26 -5.12 120.51 108.50 2bl5 n ALA 133 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 2bl5 n ALA 133 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 2bl5 n ALA 133 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2bl5 s LEU 134 N -0.58 2.39 0.00 0.00 2.34 -1.26 -5.30 118.68 116.26 2bl5 s LEU 134 Ca 0.00 -0.60 0.00 0.00 0.06 0.00 0.00 54.13 53.59 2bl5 s LEU 134 Cb 0.00 -1.36 0.00 0.00 -0.56 0.00 0.00 46.19 44.27 2bl5 s LEU 134 CO 0.00 0.22 0.00 1.41 -1.06 0.00 0.00 176.35 176.92