#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 2.58 -0.05 2.61 2.96 -0.35 -4.99 118.68 121.44 2bl5 s LEU 2 Ca 0.00 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.62 2bl5 s LEU 2 Cb 0.00 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 45.15 2bl5 s LEU 2 CO 0.00 0.23 -0.16 -1.10 -1.32 0.00 0.00 176.35 174.00 2bl5 s GLN 3 N -0.07 1.81 -0.13 1.98 -0.21 -1.26 -0.82 119.66 120.96 2bl5 s GLN 3 Ca -0.03 -0.57 0.02 0.00 0.02 0.00 0.00 55.36 54.80 2bl5 s GLN 3 Cb -0.14 -1.54 0.01 0.00 1.00 0.00 0.00 33.01 32.34 2bl5 s GLN 3 CO 0.04 0.19 -0.21 -1.21 -2.12 0.00 0.00 175.29 171.98 2bl5 s GLU 4 N 0.20 2.83 -0.26 2.91 2.02 -0.84 -4.99 118.70 120.57 2bl5 s GLU 4 Ca -0.07 -0.79 -0.06 0.00 0.02 0.00 0.00 54.97 54.07 2bl5 s GLU 4 Cb -0.13 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 2bl5 s GLU 4 CO 0.03 -0.01 0.05 0.15 0.02 0.00 0.00 175.26 175.50 2bl5 s LYS 5 N 0.81 3.34 -0.53 1.61 3.01 -1.26 -1.35 119.74 125.37 2bl5 s LYS 5 Ca -0.08 -0.68 -0.11 0.00 -1.01 0.00 0.00 55.97 54.09 2bl5 s LYS 5 Cb -0.16 -3.27 0.13 0.00 -1.01 0.00 0.00 37.83 33.53 2bl5 s LYS 5 CO -0.01 -0.30 0.43 -0.51 0.51 0.00 0.00 175.35 175.47 2bl5 s LEU 6 N 1.53 5.88 0.33 3.17 1.43 0.13 -4.96 118.68 126.20 2bl5 s LEU 6 Ca 0.05 -2.03 -0.28 0.00 -1.03 0.00 0.00 54.13 50.84 2bl5 s LEU 6 Cb -0.16 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 2bl5 s LEU 6 CO 0.01 -0.70 1.14 -0.31 0.23 0.00 0.00 176.35 176.73 2bl5 s TYR 7 N 1.20 3.33 -0.23 0.29 1.51 -1.26 -1.89 117.35 120.30 2bl5 s TYR 7 Ca 0.07 1.61 0.01 0.00 -1.01 0.00 0.00 57.07 57.76 2bl5 s TYR 7 Cb -0.25 -3.35 0.05 0.00 -0.11 0.00 0.00 41.96 38.30 2bl5 s TYR 7 CO -0.01 -0.95 -0.08 0.14 -1.11 0.00 0.00 175.55 173.54 2bl5 s VAL 8 N -1.28 1.70 -0.84 0.71 -7.23 -1.03 -4.93 120.40 107.50 2bl5 s VAL 8 Ca 0.50 -1.23 -0.25 0.00 -1.81 0.00 0.00 61.98 59.19 2bl5 s VAL 8 Cb -0.32 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 2bl5 s VAL 8 CO 0.41 0.01 1.89 -2.16 -0.31 0.00 0.00 175.10 174.93 2bl5 s PRO 9 N 1.33 2.64 0.53 4.82 0.04 -1.26 -4.36 135.00 138.74 2bl5 s PRO 9 Ca -0.05 -0.15 0.34 0.00 0.04 0.00 0.00 61.00 61.19 2bl5 s PRO 9 Cb -0.18 -4.92 1.54 0.00 0.04 0.00 0.00 34.50 30.98 2bl5 s PRO 9 CO -0.07 -3.16 2.02 -0.24 0.04 0.00 0.00 177.00 175.60 2bl5 h VAL 10 N 7.14 0.00 0.00 -0.36 3.04 -1.85 0.14 116.25 124.36 2bl5 h VAL 10 Ca 0.02 -0.36 -0.09 0.00 -1.01 0.00 0.00 66.70 65.26 2bl5 h VAL 10 Cb 1.04 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.61 2bl5 h VAL 10 CO 1.23 0.00 -0.44 0.07 -1.01 0.00 0.00 177.57 177.42 2bl5 h LYS 11 N 0.00 0.00 0.11 4.17 2.10 -1.95 -2.91 116.57 118.09 2bl5 h LYS 11 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.38 2bl5 h LYS 11 Cb 0.37 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2bl5 h LYS 11 CO 0.00 0.44 -1.23 0.93 -2.00 0.00 0.00 179.45 177.59 2bl5 h GLU 12 N 0.00 0.23 -2.97 0.07 4.39 -1.13 -3.40 114.58 111.77 2bl5 h GLU 12 Ca -0.00 -0.39 -0.62 0.00 0.34 0.00 0.00 59.36 58.69 2bl5 h GLU 12 Cb 0.90 0.15 -0.41 0.00 -0.10 0.00 0.00 28.75 29.29 2bl5 h GLU 12 CO 0.06 1.18 -0.63 0.71 -1.16 0.00 0.00 179.01 179.16 2bl5 s TYR 13 N -2.66 3.20 0.21 4.33 1.51 -0.69 -4.90 117.35 118.36 2bl5 s TYR 13 Ca -0.04 -3.19 0.32 0.00 -1.01 0.00 0.00 57.07 53.15 2bl5 s TYR 13 Cb 0.07 -2.44 1.38 0.00 -0.11 0.00 0.00 41.96 40.87 2bl5 s TYR 13 CO 0.87 -0.59 2.00 -1.35 -1.11 0.00 0.00 175.55 175.37 2bl5 h PRO 14 N 5.42 0.00 -0.00 -1.71 0.11 -1.76 -2.53 132.00 131.53 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 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2bl5 h PRO 14 CO 0.67 0.07 -0.44 -0.25 -0.21 0.00 0.00 178.00 177.84 2bl5 n ASP 15 N -3.24 0.45 -4.06 -2.05 9.92 -1.26 -4.71 116.55 111.60 2bl5 n ASP 15 Ca -0.00 -0.17 -0.32 0.00 -0.53 0.00 0.00 54.79 53.77 2bl5 n ASP 15 Cb 0.30 0.16 -0.15 0.00 -0.64 0.00 0.00 41.12 40.80 2bl5 n ASP 15 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2bl5 s PHE 16 N -3.00 3.39 -0.71 1.24 5.36 -0.95 -5.06 117.98 118.25 2bl5 s PHE 16 Ca 0.11 -2.49 -0.24 0.00 -0.96 0.00 0.00 56.93 53.36 2bl5 s PHE 16 Cb 0.18 -2.18 0.06 0.00 -0.34 0.00 0.00 43.02 40.73 2bl5 s PHE 16 CO 0.68 -0.90 1.10 0.54 -1.46 0.00 0.00 175.22 175.18 2bl5 s ASN 17 N 1.06 6.19 0.53 6.13 6.03 -1.26 -4.83 114.94 128.78 2bl5 s ASN 17 Ca -0.04 -0.82 0.19 0.00 -1.03 0.00 0.00 52.86 51.16 2bl5 s ASN 17 Cb -0.20 -2.48 1.34 0.00 -3.03 0.00 0.00 41.25 36.88 2bl5 s ASN 17 CO -0.06 -1.59 2.11 -0.26 -2.03 0.00 0.00 177.10 175.27 2bl5 h PHE 18 N 9.73 0.00 0.03 1.54 0.04 -1.96 0.31 116.94 126.64 2bl5 h PHE 18 Ca -0.26 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.51 2bl5 h PHE 18 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 2bl5 h PHE 18 CO 1.04 0.00 -0.02 -0.39 -0.60 0.00 0.00 178.31 178.35 2bl5 h VAL 19 N 0.00 1.28 0.00 -0.55 -1.51 -1.90 0.61 116.25 114.18 2bl5 h VAL 19 Ca 0.07 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.54 2bl5 h VAL 19 Cb 0.30 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2bl5 h VAL 19 CO -0.00 0.25 0.00 1.23 -1.23 0.00 0.00 177.57 177.82 2bl5 h GLY 20 N -0.49 0.00 0.29 5.19 0.00 -1.57 0.28 103.07 106.77 2bl5 h GLY 20 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.04 2bl5 h GLY 20 CO 0.01 0.00 -1.57 -0.09 0.00 0.00 0.00 176.54 174.88 2bl5 h ARG 21 N 0.00 0.13 0.00 4.80 9.65 -0.23 -3.27 114.38 125.45 2bl5 h ARG 21 Ca 0.00 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 2bl5 h ARG 21 Cb 0.04 0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2bl5 h ARG 21 CO 0.00 1.10 -0.12 0.82 2.80 0.00 0.00 179.97 184.57 2bl5 h ILE 22 N -0.52 0.76 0.00 1.20 1.08 0.94 -3.40 117.51 117.57 2bl5 h ILE 22 Ca -0.38 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.49 2bl5 h ILE 22 Cb 1.63 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.84 2bl5 h ILE 22 CO -0.07 0.26 -1.48 0.00 -0.69 0.00 0.00 178.15 176.17 2bl5 n LEU 23 N -4.68 0.36 0.00 1.44 -0.00 0.19 -2.94 117.00 111.37 2bl5 n LEU 23 Ca -0.07 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 55.74 2bl5 n LEU 23 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 2bl5 n LEU 23 CO 0.15 0.09 0.40 0.61 -0.00 0.00 0.00 177.39 178.64 2bl5 n GLY 24 N 1.42 -3.13 0.08 1.47 0.00 0.75 -1.70 105.19 104.08 2bl5 n GLY 24 Ca -0.01 0.45 -0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.92 0.65 -1.10 1.61 -0.04 -1.25 -4.59 135.00 128.36 2bl5 n PRO 25 Ca 0.00 0.12 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 2bl5 n PRO 25 Cb 0.00 -1.68 0.14 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.82 2.30 0.26 0.54 1.74 -1.25 -4.73 116.66 112.71 2bl5 n ARG 26 Ca -0.19 -3.59 0.14 0.00 -0.77 0.00 0.00 57.85 53.44 2bl5 n ARG 26 Cb 0.97 -1.86 0.73 0.00 -1.02 0.00 0.00 32.46 31.28 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 1.41 0.00 0.54 -0.13 0.00 -1.21 -1.09 103.07 102.60 2bl5 h GLY 27 Ca 0.15 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.64 2bl5 h GLY 27 CO 0.30 0.00 0.55 -2.00 0.00 0.00 0.00 176.54 175.39 2bl5 h LEU 28 N 0.00 0.45 -0.65 3.11 5.85 -1.85 -1.73 115.31 120.49 2bl5 h LEU 28 Ca 0.00 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2bl5 h LEU 28 Cb 0.41 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2bl5 h LEU 28 CO 0.00 0.22 0.42 0.00 -0.34 0.00 0.00 178.44 178.74 2bl5 h THR 29 N 0.47 1.14 -0.53 1.05 1.03 -1.51 -0.23 112.91 114.33 2bl5 h THR 29 Ca 0.41 -0.29 -0.07 0.00 -0.01 0.00 0.00 66.41 66.45 2bl5 h THR 29 Cb 0.91 0.22 -0.02 0.00 -1.07 0.00 0.00 68.15 68.18 2bl5 h THR 29 CO -0.15 0.16 0.03 0.00 -0.01 0.00 0.00 175.52 175.54 2bl5 h ALA 30 N 1.25 1.05 -0.70 0.00 0.00 -1.52 -1.25 119.26 118.08 2bl5 h ALA 30 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2bl5 h ALA 30 Cb -0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 2bl5 h ALA 30 CO -0.07 0.60 0.31 0.87 0.00 0.00 0.00 179.25 180.96 2bl5 h LYS 31 N 0.82 1.03 -0.10 0.00 1.57 -1.13 -2.78 116.57 115.98 2bl5 h LYS 31 Ca 0.16 -0.17 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 2bl5 h LYS 31 Cb 0.45 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2bl5 h LYS 31 CO 0.02 0.83 -0.56 1.96 -0.57 0.00 0.00 179.45 181.12 2bl5 h GLN 32 N 0.99 0.30 -0.40 3.15 1.08 -0.43 -2.53 115.11 117.26 2bl5 h GLN 32 Ca 0.24 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 2bl5 h GLN 32 Cb 0.16 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 2bl5 h GLN 32 CO -0.03 0.78 0.00 -0.07 -0.95 0.00 0.00 178.83 178.57 2bl5 h LEU 33 N 0.23 0.69 -0.65 1.46 3.38 -0.99 0.33 115.31 119.75 2bl5 h LEU 33 Ca 0.00 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 2bl5 h LEU 33 Cb 1.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2bl5 h LEU 33 CO 0.09 0.83 -0.48 1.05 0.09 0.00 0.00 178.44 180.02 2bl5 h GLU 34 N 0.53 0.47 -0.45 1.13 4.11 -1.18 0.46 114.58 119.65 2bl5 h GLU 34 Ca 0.11 -0.27 -0.08 0.00 0.07 0.00 0.00 59.36 59.19 2bl5 h GLU 34 Cb 0.48 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2bl5 h GLU 34 CO 0.02 0.85 -0.04 0.00 0.07 0.00 0.00 179.01 179.91 2bl5 h ALA 35 N 1.10 0.62 0.00 1.06 0.00 -1.17 -3.13 119.26 117.74 2bl5 h ALA 35 Ca 0.02 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 2bl5 h ALA 35 Cb 0.98 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2bl5 h ALA 35 CO 0.09 0.45 -1.26 0.39 0.00 0.00 0.00 179.25 178.92 2bl5 n GLU 36 N -4.33 0.54 0.14 0.00 -0.58 0.11 -4.54 120.64 111.99 2bl5 n GLU 36 Ca 0.00 0.52 0.03 0.00 -0.42 0.00 0.00 57.16 57.30 2bl5 n GLU 36 Cb 0.33 -1.70 0.03 0.00 -0.57 0.00 0.00 31.44 29.54 2bl5 n GLU 36 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 2bl5 h THR 37 N -1.00 0.74 0.00 2.62 1.35 -0.25 -3.47 112.91 112.90 2bl5 h THR 37 Ca -0.31 -2.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.48 2bl5 h THR 37 Cb 1.18 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.94 2bl5 h THR 37 CO -0.19 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 2bl5 n GLY 38 N 1.22 0.98 3.61 5.82 0.00 -1.18 -4.60 105.19 111.04 2bl5 n GLY 38 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 2.09 3.36 -0.38 0.00 2.20 0.11 -2.18 119.74 124.93 2bl5 s LYS 40 Ca 0.17 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 2bl5 s LYS 40 Cb -0.16 -4.86 0.01 0.00 -1.51 0.00 0.00 37.83 31.31 2bl5 s LYS 40 CO 0.10 -2.26 1.28 -1.50 -0.36 0.00 0.00 175.35 172.61 2bl5 s ILE 41 N 5.64 4.11 -0.12 5.43 2.07 -1.26 -2.84 121.20 134.23 2bl5 s ILE 41 Ca 0.44 1.19 -0.02 0.00 -1.41 0.00 0.00 60.65 60.85 2bl5 s ILE 41 Cb -0.04 -4.30 -0.03 0.00 0.13 0.00 0.00 42.46 38.22 2bl5 s ILE 41 CO 0.01 -0.70 -0.05 0.00 -1.91 0.00 0.00 174.94 172.29 2bl5 s MET 42 N 4.45 3.32 -0.07 3.50 0.23 0.78 -4.89 119.30 126.61 2bl5 s MET 42 Ca 0.55 -0.53 -0.30 0.00 -1.03 0.00 0.00 55.69 54.38 2bl5 s MET 42 Cb -0.13 -2.79 -0.02 0.00 -1.53 0.00 0.00 34.83 30.36 2bl5 s MET 42 CO 0.28 0.41 1.05 0.08 -2.03 0.00 0.00 175.02 174.80 2bl5 s VAL 43 N -0.10 4.66 0.33 5.16 1.01 -1.26 -1.28 120.40 128.93 2bl5 s VAL 43 Ca 0.02 1.93 0.09 0.00 0.00 0.00 0.00 61.98 64.02 2bl5 s VAL 43 Cb -0.13 -4.24 -0.05 0.00 0.00 0.00 0.00 36.38 31.95 2bl5 s VAL 43 CO 0.03 0.03 -0.00 -0.13 0.00 0.00 0.00 175.10 175.03 2bl5 s ARG 44 N 1.87 2.07 0.00 2.72 0.52 0.15 -4.71 118.95 121.57 2bl5 s ARG 44 Ca 0.51 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 2bl5 s ARG 44 Cb -0.20 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.33 2bl5 s ARG 44 CO 0.21 0.17 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2bl5 n GLY 45 N -0.93 -1.27 3.59 -3.53 0.00 -0.13 0.68 105.19 103.60 2bl5 n GLY 45 Ca -0.04 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 2bl5 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bl5 s LYS 46 N 0.00 3.51 0.00 1.61 1.02 -1.05 -3.76 119.74 121.06 2bl5 s LYS 46 Ca 0.00 0.49 0.00 0.00 0.02 0.00 0.00 55.97 56.48 2bl5 s LYS 46 Cb 0.00 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2bl5 s LYS 46 CO 0.00 -1.68 0.00 0.41 -0.92 0.00 0.00 175.35 173.16 2bl5 n GLY 47 N 5.08 1.37 0.14 -3.33 0.00 -1.26 -4.73 105.19 102.46 2bl5 n GLY 47 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 2bl5 n GLY 47 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bl5 h SER 48 N 0.00 -0.27 0.00 1.61 4.64 -1.85 -3.39 113.55 114.29 2bl5 h SER 48 Ca 0.00 0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2bl5 h SER 48 Cb 0.00 0.07 -0.16 0.00 -0.31 0.00 0.00 62.40 62.00 2bl5 h SER 48 CO 0.00 -0.07 -0.70 1.15 -0.87 0.00 0.00 176.83 176.34 2bl5 n MET 49 N -3.56 0.89 0.00 4.77 0.00 -1.26 -4.90 117.12 113.06 2bl5 n MET 49 Ca -0.04 -2.69 0.00 0.00 0.00 0.00 0.00 57.70 54.97 2bl5 n MET 49 Cb 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 33.22 32.42 2bl5 n MET 49 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2bl5 n ARG 50 N -0.45 0.75 -1.53 3.17 1.85 -1.26 -4.84 116.66 114.36 2bl5 n ARG 50 Ca 0.13 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.58 2bl5 n ARG 50 Cb 0.87 -1.13 0.02 0.00 -1.05 0.00 0.00 32.46 31.18 2bl5 n ARG 50 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2bl5 n ASP 51 N 0.61 -0.03 -0.29 2.89 -0.08 -1.26 -4.57 116.55 113.83 2bl5 n ASP 51 Ca 0.00 0.90 0.12 0.00 -1.51 0.00 0.00 54.79 54.30 2bl5 n ASP 51 Cb 0.37 -1.24 0.37 0.00 2.34 0.00 0.00 41.12 42.97 2bl5 n ASP 51 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2bl5 h LYS 52 N 0.87 0.68 -0.37 -0.67 1.79 -2.00 0.34 116.57 117.21 2bl5 h LYS 52 Ca -0.44 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 57.92 2bl5 h LYS 52 Cb 1.38 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.85 2bl5 h LYS 52 CO 0.52 0.45 -0.07 1.57 -1.08 0.00 0.00 179.45 180.84 2bl5 h LYS 53 N 0.70 0.61 -0.02 3.15 2.10 -1.97 -2.57 116.57 118.58 2bl5 h LYS 53 Ca 0.47 -0.17 -0.15 0.00 -2.00 0.00 0.00 60.65 58.80 2bl5 h LYS 53 Cb 0.78 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.02 2bl5 h LYS 53 CO -0.23 0.68 -0.70 0.87 -2.00 0.00 0.00 179.45 178.08 2bl5 h LYS 54 N 0.57 0.10 0.00 0.07 1.57 -0.68 -0.74 116.57 117.47 2bl5 h LYS 54 Ca 0.11 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 2bl5 h LYS 54 Cb 0.46 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 2bl5 h LYS 54 CO 0.02 0.76 -0.16 1.05 -0.57 0.00 0.00 179.45 180.55 2bl5 h GLU 55 N 0.07 0.00 0.00 3.15 4.11 -0.95 1.04 114.58 122.00 2bl5 h GLU 55 Ca -0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 2bl5 h GLU 55 Cb 1.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2bl5 h GLU 55 CO 0.10 0.16 -0.49 0.93 0.07 0.00 0.00 179.01 179.77 2bl5 h GLU 56 N 0.00 0.00 0.00 1.06 5.08 -1.07 -3.38 114.58 116.27 2bl5 h GLU 56 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.10 2bl5 h GLU 56 Cb 0.84 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 2bl5 h GLU 56 CO 0.02 0.69 -1.98 0.00 -1.00 0.00 0.00 179.01 176.74 2bl5 n GLN 57 N -4.58 1.04 -0.24 2.33 10.64 -0.32 -4.51 117.38 121.74 2bl5 n GLN 57 Ca -0.15 0.05 0.10 0.00 -1.83 0.00 0.00 57.00 55.17 2bl5 n GLN 57 Cb 0.44 -1.35 0.26 0.00 -0.86 0.00 0.00 30.24 28.72 2bl5 n GLN 57 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2bl5 n ASN 58 N -2.79 2.90 -4.62 2.61 4.05 -0.02 -4.97 115.26 112.42 2bl5 n ASN 58 Ca -0.27 -1.96 -0.38 0.00 0.45 0.00 0.00 54.58 52.42 2bl5 n ASN 58 Cb 0.89 -0.32 0.06 0.00 1.23 0.00 0.00 39.78 41.63 2bl5 n ASN 58 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 2bl5 n ARG 59 N 1.09 0.86 -0.12 1.20 1.85 0.34 -2.68 116.66 119.20 2bl5 n ARG 59 Ca 0.18 0.34 0.00 0.00 -1.00 0.00 0.00 57.85 57.37 2bl5 n ARG 59 Cb 0.47 -2.17 0.00 0.00 -1.05 0.00 0.00 32.46 29.71 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 1.30 1.89 3.94 2.89 0.00 -1.26 -5.03 105.19 108.91 2bl5 n GLY 60 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2bl5 n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bl5 s LYS 61 N -0.30 2.67 0.19 1.61 3.01 -1.09 -4.64 119.74 121.19 2bl5 s LYS 61 Ca 0.00 -0.40 0.16 0.00 -1.01 0.00 0.00 55.97 54.73 2bl5 s LYS 61 Cb 0.00 -2.37 0.62 0.00 -1.01 0.00 0.00 37.83 35.07 2bl5 s LYS 61 CO 0.00 -0.74 0.59 -2.30 0.51 0.00 0.00 175.35 173.41 2bl5 n PRO 62 N -2.49 -0.01 -0.11 -1.68 -0.02 -1.26 0.96 135.00 130.40 2bl5 n PRO 62 Ca 0.06 0.43 -0.05 0.00 -2.02 0.00 0.00 63.50 61.92 2bl5 n PRO 62 Cb 0.59 -0.94 0.14 0.00 -0.02 0.00 0.00 33.50 33.27 2bl5 n PRO 62 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2bl5 h ASN 63 N 0.00 0.78 0.88 2.55 -0.00 -1.91 0.10 115.58 117.98 2bl5 h ASN 63 Ca 0.35 -0.20 -0.02 0.00 -0.00 0.00 0.00 56.30 56.43 2bl5 h ASN 63 Cb 1.29 -0.21 -0.00 0.00 -0.00 0.00 0.00 38.32 39.39 2bl5 h ASN 63 CO -0.07 0.86 -1.14 0.79 -0.00 0.00 0.00 177.43 177.87 2bl5 n TRP 64 N -4.20 0.89 0.20 4.14 7.02 0.27 -1.94 117.44 123.82 2bl5 n TRP 64 Ca 0.02 0.26 -0.15 0.00 -1.02 0.00 0.00 57.50 56.62 2bl5 n TRP 64 Cb 0.32 -0.94 -0.07 0.00 -2.42 0.00 0.00 31.31 28.20 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 -0.64 -0.10 -0.99 4.81 -0.47 -3.18 114.58 114.01 2bl5 h GLU 65 Ca -0.02 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2bl5 h GLU 65 Cb 1.07 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2bl5 h GLU 65 CO 0.01 -0.43 0.00 -2.39 -0.73 0.00 0.00 179.01 175.47 2bl5 n HIS 66 N -5.43 0.11 0.29 0.92 1.44 -0.06 -4.08 115.22 108.40 2bl5 n HIS 66 Ca -0.09 -0.05 0.19 0.00 -2.01 0.00 0.00 57.72 55.75 2bl5 n HIS 66 Cb 0.34 0.00 1.02 0.00 0.12 0.00 0.00 29.99 31.46 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 4.15 0.00 -0.65 2.39 5.85 -1.36 0.05 115.31 125.73 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 0.89 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2bl5 h LEU 67 CO 0.00 0.00 -0.05 0.59 -0.34 0.00 0.00 178.44 178.64 2bl5 n ASN 68 N -2.82 1.07 -5.01 1.25 3.02 -1.26 -3.82 115.26 107.69 2bl5 n ASN 68 Ca -0.02 -1.22 -0.17 0.00 -0.03 0.00 0.00 54.58 53.14 2bl5 n ASN 68 Cb 0.08 0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.27 2bl5 n ASN 68 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2bl5 s GLU 69 N -2.14 2.82 0.23 3.52 2.02 -0.44 -5.02 118.70 119.70 2bl5 s GLU 69 Ca 0.36 -1.21 -0.22 0.00 0.02 0.00 0.00 54.97 53.93 2bl5 s GLU 69 Cb 0.21 -2.75 -0.08 0.00 0.10 0.00 0.00 34.13 31.61 2bl5 s GLU 69 CO 0.39 -0.28 0.77 0.34 0.02 0.00 0.00 175.26 176.49 2bl5 s ASP 70 N -4.35 7.16 -0.20 -0.19 2.15 -1.26 -2.53 116.67 117.45 2bl5 s ASP 70 Ca 0.55 1.53 -0.36 0.00 0.43 0.00 0.00 52.55 54.70 2bl5 s ASP 70 Cb -0.10 -2.46 -0.12 0.00 -0.30 0.00 0.00 42.92 39.94 2bl5 s ASP 70 CO 0.33 0.04 1.93 -0.11 -0.17 0.00 0.00 175.17 177.20 2bl5 n LEU 71 N 0.83 2.89 -3.90 -1.34 7.94 -1.26 -4.18 117.00 117.98 2bl5 n LEU 71 Ca -0.02 0.84 -0.09 0.00 -1.11 0.00 0.00 56.01 55.63 2bl5 n LEU 71 Cb 0.51 -1.30 -0.07 0.00 0.53 0.00 0.00 43.42 43.09 2bl5 n LEU 71 CO 0.44 -0.32 -0.07 -1.38 -1.11 0.00 0.00 177.39 174.94 2bl5 s HIS 72 N 4.87 0.25 -0.09 1.96 -3.43 0.22 -2.47 115.29 116.60 2bl5 s HIS 72 Ca 0.98 -0.66 -0.05 0.00 -0.80 0.00 0.00 55.06 54.53 2bl5 s HIS 72 Cb -0.81 -0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 30.23 2bl5 s HIS 72 CO 0.54 -0.61 0.14 0.14 -2.00 0.00 0.00 174.74 172.95 2bl5 s VAL 73 N -3.90 5.37 -0.10 -5.38 -7.23 -0.79 0.30 120.40 108.66 2bl5 s VAL 73 Ca 0.10 0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.32 2bl5 s VAL 73 Cb 0.04 -3.38 0.03 0.00 0.56 0.00 0.00 36.38 33.64 2bl5 s VAL 73 CO -0.07 0.54 -0.00 -0.22 -0.31 0.00 0.00 175.10 175.04 2bl5 s LEU 74 N -1.26 0.75 -0.52 1.32 0.20 -0.40 0.23 118.68 119.00 2bl5 s LEU 74 Ca 0.18 -0.24 -0.26 0.00 0.69 0.00 0.00 54.13 54.51 2bl5 s LEU 74 Cb -0.12 -0.51 0.03 0.00 -0.43 0.00 0.00 46.19 45.16 2bl5 s LEU 74 CO 0.08 -0.21 1.00 0.27 -0.29 0.00 0.00 176.35 177.20 2bl5 s ILE 75 N 1.93 4.33 -0.40 6.68 -4.36 -0.45 -0.16 121.20 128.77 2bl5 s ILE 75 Ca 0.04 0.66 -0.13 0.00 -0.26 0.00 0.00 60.65 60.95 2bl5 s ILE 75 Cb -0.13 -4.54 0.02 0.00 1.25 0.00 0.00 42.46 39.06 2bl5 s ILE 75 CO -0.06 -1.05 0.26 -0.89 0.24 0.00 0.00 174.94 173.44 2bl5 s THR 76 N 4.12 4.97 -0.12 8.37 2.01 -1.13 -1.98 115.64 131.88 2bl5 s THR 76 Ca 0.37 -0.75 0.02 0.00 0.31 0.00 0.00 61.69 61.64 2bl5 s THR 76 Cb -0.10 -3.77 -0.00 0.00 0.01 0.00 0.00 72.50 68.63 2bl5 s THR 76 CO 0.24 -0.28 -0.20 0.54 -0.69 0.00 0.00 174.62 174.24 2bl5 s VAL 77 N 1.63 2.41 -0.80 3.82 0.11 -0.00 0.06 120.40 127.62 2bl5 s VAL 77 Ca 0.04 -0.88 -0.16 0.00 -2.93 0.00 0.00 61.98 58.04 2bl5 s VAL 77 Cb -0.19 -1.97 0.17 0.00 -1.53 0.00 0.00 36.38 32.86 2bl5 s VAL 77 CO 0.09 0.54 0.84 -1.61 -3.33 0.00 0.00 175.10 171.63 2bl5 s GLU 78 N 0.48 3.47 0.18 1.54 0.41 -1.25 -1.22 118.70 122.32 2bl5 s GLU 78 Ca -0.13 -2.03 -0.23 0.00 -0.41 0.00 0.00 54.97 52.17 2bl5 s GLU 78 Cb -0.17 -4.53 0.07 0.00 -1.78 0.00 0.00 34.13 27.73 2bl5 s GLU 78 CO 0.05 -1.47 1.03 0.34 -0.49 0.00 0.00 175.26 174.72 2bl5 s ASP 79 N 2.91 -0.03 0.00 -0.19 -1.08 -1.26 -5.02 116.67 112.00 2bl5 s ASP 79 Ca 0.20 -0.63 -0.05 0.00 -0.52 0.00 0.00 52.55 51.55 2bl5 s ASP 79 Cb -0.12 0.50 -0.03 0.00 -1.46 0.00 0.00 42.92 41.81 2bl5 s ASP 79 CO -0.06 -0.98 0.86 0.00 0.52 0.00 0.00 175.17 175.51 2bl5 h ALA 80 N 2.00 -0.83 0.00 3.66 0.00 -2.03 -3.44 119.26 118.62 2bl5 h ALA 80 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2bl5 h ALA 80 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2bl5 h ALA 80 CO 0.34 -0.82 0.00 0.94 0.00 0.00 0.00 179.25 179.72 2bl5 n GLN 81 N -2.60 0.00 -0.05 0.00 0.00 -1.26 -4.97 117.38 108.50 2bl5 n GLN 81 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.00 56.92 2bl5 n GLN 81 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.27 2bl5 n GLN 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 2bl5 h ASN 82 N 0.00 -0.79 -0.11 1.69 2.35 -1.99 0.05 115.58 116.78 2bl5 h ASN 82 Ca 0.00 0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.69 2bl5 h ASN 82 Cb 0.00 0.32 0.01 0.00 0.05 0.00 0.00 38.32 38.70 2bl5 h ASN 82 CO 0.00 -0.18 -0.58 -0.09 -1.65 0.00 0.00 177.43 174.93 2bl5 h ARG 83 N -0.19 0.58 0.64 0.81 1.12 -1.99 -2.87 114.38 112.47 2bl5 h ARG 83 Ca 0.03 -0.48 -0.03 0.00 -1.11 0.00 0.00 59.98 58.39 2bl5 h ARG 83 Cb 0.26 0.10 0.01 0.00 -0.01 0.00 0.00 29.97 30.33 2bl5 h ARG 83 CO -0.24 1.10 -0.31 0.00 -3.11 0.00 0.00 179.97 177.41 2bl5 h ALA 84 N 0.48 -1.11 -0.37 2.80 0.00 -1.83 -2.74 119.26 116.49 2bl5 h ALA 84 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2bl5 h ALA 84 Cb 1.22 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 2bl5 h ALA 84 CO 0.12 -1.04 0.25 1.05 0.00 0.00 0.00 179.25 179.62 2bl5 h GLU 85 N -0.95 0.44 -0.89 0.00 -0.00 -1.09 0.18 114.58 112.28 2bl5 h GLU 85 Ca -0.09 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.23 2bl5 h GLU 85 Cb 0.66 -0.10 -0.04 0.00 -0.00 0.00 0.00 28.75 29.26 2bl5 h GLU 85 CO 0.14 0.29 0.49 1.25 -0.00 0.00 0.00 179.01 181.18 2bl5 h LEU 86 N 0.46 1.12 -0.15 3.06 6.46 -1.51 0.27 115.31 125.02 2bl5 h LEU 86 Ca 0.14 -0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 2bl5 h LEU 86 Cb 0.01 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 39.66 2bl5 h LEU 86 CO -0.03 0.90 -0.26 0.50 -0.62 0.00 0.00 178.44 178.93 2bl5 h LYS 87 N 1.25 0.43 -0.04 1.25 3.64 -0.36 -2.83 116.57 119.91 2bl5 h LYS 87 Ca 0.31 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 59.29 2bl5 h LYS 87 Cb 0.03 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2bl5 h LYS 87 CO -0.05 0.87 -0.59 1.37 -2.27 0.00 0.00 179.45 178.78 2bl5 h LEU 88 N 0.04 0.16 -0.82 5.20 -0.00 -1.14 -2.65 115.31 116.10 2bl5 h LEU 88 Ca 0.01 -0.09 -0.10 0.00 -0.00 0.00 0.00 57.88 57.70 2bl5 h LEU 88 Cb 0.84 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.44 2bl5 h LEU 88 CO 0.06 0.71 -0.19 0.07 -0.00 0.00 0.00 178.44 179.10 2bl5 h LYS 89 N 0.11 0.68 -0.24 0.17 5.09 -0.45 0.59 116.57 122.51 2bl5 h LYS 89 Ca -0.00 -0.25 -0.15 0.00 0.09 0.00 0.00 60.65 60.34 2bl5 h LYS 89 Cb 1.07 -0.05 -0.01 0.00 0.10 0.00 0.00 32.23 33.34 2bl5 h LYS 89 CO 0.09 0.82 -0.46 0.07 -2.09 0.00 0.00 179.45 177.87 2bl5 h ARG 90 N 0.60 0.63 -0.24 0.07 0.11 -1.45 0.67 114.38 114.77 2bl5 h ARG 90 Ca 0.09 -0.35 -0.06 0.00 0.10 0.00 0.00 59.98 59.77 2bl5 h ARG 90 Cb 0.65 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 2bl5 h ARG 90 CO 0.05 0.96 -0.07 0.00 0.10 0.00 0.00 179.97 181.01 2bl5 h ALA 91 N 0.98 0.33 0.00 0.08 0.00 -1.08 -2.29 119.26 117.29 2bl5 h ALA 91 Ca 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2bl5 h ALA 91 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2bl5 h ALA 91 CO 0.09 0.14 -0.34 -0.24 0.00 0.00 0.00 179.25 178.90 2bl5 h VAL 92 N 0.21 1.03 -0.00 0.00 3.04 0.23 -0.77 116.25 119.98 2bl5 h VAL 92 Ca 0.06 -1.26 -0.05 0.00 -1.01 0.00 0.00 66.70 64.44 2bl5 h VAL 92 Cb 0.54 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.53 2bl5 h VAL 92 CO 0.03 0.33 -0.25 -0.33 -1.01 0.00 0.00 177.57 176.34 2bl5 h GLU 93 N 0.00 0.00 -0.67 4.17 5.08 -0.65 0.44 114.58 122.94 2bl5 h GLU 93 Ca -0.00 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2bl5 h GLU 93 Cb 0.69 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2bl5 h GLU 93 CO 0.04 0.25 0.12 0.93 -1.00 0.00 0.00 179.01 179.36 2bl5 h GLU 94 N 0.00 1.10 -0.44 2.33 5.08 -0.57 -1.63 114.58 120.46 2bl5 h GLU 94 Ca -0.00 -0.29 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 2bl5 h GLU 94 Cb 0.44 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2bl5 h GLU 94 CO 0.03 1.00 0.06 0.28 -1.00 0.00 0.00 179.01 179.38 2bl5 h VAL 95 N 1.04 1.21 -0.38 3.13 2.07 -0.72 -0.87 116.25 121.73 2bl5 h VAL 95 Ca 0.21 -0.80 0.11 0.00 0.82 0.00 0.00 66.70 67.04 2bl5 h VAL 95 Cb 0.42 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2bl5 h VAL 95 CO 0.01 0.28 0.28 0.11 0.02 0.00 0.00 177.57 178.28 2bl5 h LYS 96 N 0.65 0.00 -0.01 1.57 1.79 0.68 1.06 116.57 122.31 2bl5 h LYS 96 Ca 0.14 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.47 2bl5 h LYS 96 Cb 0.31 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 2bl5 h LYS 96 CO 0.00 0.00 -0.66 -0.22 -1.08 0.00 0.00 179.45 177.50 2bl5 h LYS 97 N 0.00 0.04 0.14 3.15 3.11 -0.29 -3.33 116.57 119.39 2bl5 h LYS 97 Ca 0.18 -0.03 -0.36 0.00 -2.81 0.00 0.00 60.65 57.63 2bl5 h LYS 97 Cb 0.74 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.97 2bl5 h LYS 97 CO -0.00 0.68 -1.89 -0.07 -2.81 0.00 0.00 179.45 175.36 2bl5 h LEU 98 N 0.03 0.46 -1.81 5.20 -0.00 0.15 -3.38 115.31 115.97 2bl5 h LEU 98 Ca -0.01 -0.89 0.00 0.00 -0.00 0.00 0.00 57.88 56.98 2bl5 h LEU 98 Cb 1.17 -0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 2bl5 h LEU 98 CO 0.09 1.79 0.00 0.00 -0.00 0.00 0.00 178.44 180.31 2bl5 n LEU 99 N -3.50 2.01 -4.76 1.67 -0.00 0.32 -4.76 117.00 107.99 2bl5 n LEU 99 Ca -0.28 -1.01 -0.35 0.00 -0.00 0.00 0.00 56.01 54.37 2bl5 n LEU 99 Cb 1.06 -0.38 -0.08 0.00 -0.00 0.00 0.00 43.42 44.02 2bl5 n LEU 99 CO 0.46 0.35 -0.19 0.54 -0.00 0.00 0.00 177.39 178.55 2bl5 s VAL 100 N -0.01 5.35 -1.32 1.47 0.11 -1.26 -4.96 120.40 119.77 2bl5 s VAL 100 Ca 0.00 0.16 0.07 0.00 -2.93 0.00 0.00 61.98 59.28 2bl5 s VAL 100 Cb 0.00 -3.41 0.10 0.00 -1.53 0.00 0.00 36.38 31.55 2bl5 s VAL 100 CO 0.00 0.49 1.11 -0.81 -3.33 0.00 0.00 175.10 172.56 2bl5 n PRO 101 N 3.11 0.07 0.00 1.54 -0.04 -1.26 -4.95 135.00 133.47 2bl5 n PRO 101 Ca -0.17 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2bl5 n PRO 101 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.34 0.00 -3.45 0.55 0.00 -1.26 -5.04 120.51 109.98 2bl5 n ALA 102 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.45 2bl5 n ALA 102 Cb 0.06 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 0.94 -0.83 0.98 0.00 0.00 -1.26 -5.04 120.51 115.29 2bl5 n ALA 103 Ca 0.00 -0.71 0.12 0.00 0.00 0.00 0.00 53.44 52.85 2bl5 n ALA 103 Cb 0.00 0.57 0.20 0.00 0.00 0.00 0.00 19.45 20.22 2bl5 n ALA 103 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2bl5 n GLU 104 N -0.29 0.02 0.00 0.00 0.28 -1.26 -4.99 120.64 114.40 2bl5 n GLU 104 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2bl5 n GLU 104 Cb 0.32 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.68 2bl5 n GLU 104 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2bl5 n GLY 105 N 1.49 2.57 2.98 -1.84 0.00 -1.26 -4.91 105.19 104.22 2bl5 n GLY 105 Ca 0.05 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 2bl5 n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bl5 s GLU 106 N 0.00 2.17 0.00 1.61 -1.05 -1.26 -4.70 118.70 115.47 2bl5 s GLU 106 Ca 0.00 -2.68 0.00 0.00 -0.15 0.00 0.00 54.97 52.14 2bl5 s GLU 106 Cb 0.00 -3.43 0.00 0.00 -0.44 0.00 0.00 34.13 30.26 2bl5 s GLU 106 CO 0.00 -1.14 0.00 -0.40 0.95 0.00 0.00 175.26 174.67 2bl5 n ASP 107 N 3.08 0.00 0.19 0.83 5.68 -1.26 -4.85 116.55 120.23 2bl5 n ASP 107 Ca 0.07 0.00 0.17 0.00 -0.50 0.00 0.00 54.79 54.53 2bl5 n ASP 107 Cb 0.34 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.13 2bl5 n ASP 107 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2bl5 h SER 108 N 0.00 0.00 -0.82 -1.12 0.02 -1.98 0.10 113.55 109.75 2bl5 h SER 108 Ca 0.00 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2bl5 h SER 108 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 2bl5 h SER 108 CO 0.00 0.00 0.44 -0.07 -1.14 0.00 0.00 176.83 176.06 2bl5 h LEU 109 N 0.00 0.59 0.19 5.07 3.38 -1.92 0.28 115.31 122.90 2bl5 h LEU 109 Ca 0.10 0.07 -0.35 0.00 0.09 0.00 0.00 57.88 57.78 2bl5 h LEU 109 Cb 0.51 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.23 2bl5 h LEU 109 CO -0.00 0.30 -1.74 0.50 0.09 0.00 0.00 178.44 177.59 2bl5 h LYS 110 N 0.70 0.39 0.19 1.13 1.63 -1.13 -3.16 116.57 116.32 2bl5 h LYS 110 Ca 0.42 -0.67 -0.01 0.00 -0.85 0.00 0.00 60.65 59.54 2bl5 h LYS 110 Cb 0.49 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 2bl5 h LYS 110 CO -0.30 1.32 -0.09 0.87 -3.45 0.00 0.00 179.45 177.80 2bl5 h LYS 111 N 0.09 -0.24 0.00 1.90 1.79 -1.06 -3.01 116.57 116.04 2bl5 h LYS 111 Ca -0.34 0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 57.99 2bl5 h LYS 111 Cb 2.09 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 32.77 2bl5 h LYS 111 CO 0.17 -0.02 -0.74 0.52 -1.08 0.00 0.00 179.45 178.31 2bl5 h MET 112 N -0.43 0.00 -0.08 3.15 2.86 -0.61 0.07 114.93 119.89 2bl5 h MET 112 Ca -0.03 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.41 2bl5 h MET 112 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2bl5 h MET 112 CO 0.04 0.74 -0.80 -0.22 1.06 0.00 0.00 176.91 177.73 2bl5 h LYS 113 N 0.00 0.54 0.00 1.72 3.11 -1.62 -0.99 116.57 119.32 2bl5 h LYS 113 Ca -0.01 -0.47 0.00 0.00 -2.81 0.00 0.00 60.65 57.36 2bl5 h LYS 113 Cb 1.39 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.73 2bl5 h LYS 113 CO 0.10 1.10 -0.31 -0.11 -2.81 0.00 0.00 179.45 177.41 2bl5 n LEU 114 N -3.85 0.78 -0.07 5.20 7.94 -1.14 -4.42 117.00 121.44 2bl5 n LEU 114 Ca -0.06 0.27 -0.22 0.00 -1.11 0.00 0.00 56.01 54.89 2bl5 n LEU 114 Cb 0.75 -0.63 -0.12 0.00 0.53 0.00 0.00 43.42 43.95 2bl5 n LEU 114 CO 0.50 -0.45 -0.57 -0.03 -1.11 0.00 0.00 177.39 175.74 2bl5 h MET 115 N -0.41 0.08 0.00 1.96 4.05 -1.48 -3.15 114.93 115.97 2bl5 h MET 115 Ca 0.00 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.28 2bl5 h MET 115 Cb 0.31 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 2bl5 h MET 115 CO 0.00 1.06 -0.03 0.93 0.23 0.00 0.00 176.91 179.11 2bl5 h GLU 116 N -0.70 0.00 0.04 0.39 4.39 -1.16 -1.74 114.58 115.79 2bl5 h GLU 116 Ca -0.36 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 2bl5 h GLU 116 Cb 1.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.15 2bl5 h GLU 116 CO -0.12 0.03 -0.02 1.25 -1.16 0.00 0.00 179.01 178.99 2bl5 h LEU 117 N 0.00 -0.05 -6.09 1.33 7.12 -1.26 -3.43 115.31 112.92 2bl5 h LEU 117 Ca -0.00 -0.50 -0.11 0.00 0.13 0.00 0.00 57.88 57.40 2bl5 h LEU 117 Cb 0.10 0.01 -0.22 0.00 -0.53 0.00 0.00 40.66 40.02 2bl5 h LEU 117 CO 0.00 0.49 -0.49 0.00 -0.13 0.00 0.00 178.44 178.32 2bl5 s ALA 118 N -4.02 -1.92 0.04 1.25 0.00 -0.88 -5.00 121.76 111.24 2bl5 s ALA 118 Ca -0.16 0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.78 2bl5 s ALA 118 Cb 0.01 -2.51 -0.16 0.00 0.00 0.00 0.00 23.12 20.46 2bl5 s ALA 118 CO 0.64 -2.08 1.28 0.82 0.00 0.00 0.00 175.76 176.42 2bl5 h ILE 119 N 5.32 1.37 -1.29 0.00 2.04 -1.60 -3.43 117.51 119.92 2bl5 h ILE 119 Ca 0.02 -1.57 -0.51 0.00 1.00 0.00 0.00 64.86 63.80 2bl5 h ILE 119 Cb 1.15 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 39.24 2bl5 h ILE 119 CO 0.14 0.47 -0.35 -0.76 0.00 0.00 0.00 178.15 177.65 2bl5 s LEU 120 N -8.84 3.22 0.36 1.44 2.01 -1.26 -5.09 118.68 110.53 2bl5 s LEU 120 Ca -0.14 -0.87 -0.28 0.00 0.01 0.00 0.00 54.13 52.85 2bl5 s LEU 120 Cb 0.05 -1.82 -0.11 0.00 0.01 0.00 0.00 46.19 44.32 2bl5 s LEU 120 CO 0.79 -0.78 1.43 -0.46 1.01 0.00 0.00 176.35 178.34 2bl5 n ASN 121 N -1.62 3.47 -3.02 2.29 2.04 -1.26 -4.87 115.26 112.29 2bl5 n ASN 121 Ca 0.03 1.22 -0.33 0.00 -0.44 0.00 0.00 54.58 55.06 2bl5 n ASN 121 Cb 0.62 -1.58 -0.05 0.00 -2.53 0.00 0.00 39.78 36.25 2bl5 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2bl5 n GLY 122 N 0.59 4.44 1.69 4.83 0.00 -1.26 -3.94 105.19 111.54 2bl5 n GLY 122 Ca 0.02 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.31 2bl5 n GLY 122 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bl5 n THR 123 N 2.21 0.21 -3.83 2.61 -1.04 -1.26 -5.08 114.28 108.09 2bl5 n THR 123 Ca 0.62 0.07 -0.17 0.00 -2.04 0.00 0.00 64.05 62.53 2bl5 n THR 123 Cb 0.40 -0.84 -0.16 0.00 -1.82 0.00 0.00 70.33 67.91 2bl5 n THR 123 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2bl5 s TYR 124 N -2.00 0.19 0.31 -1.42 2.02 -1.25 -5.00 117.35 110.20 2bl5 s TYR 124 Ca 0.00 0.07 0.28 0.00 -0.37 0.00 0.00 57.07 57.06 2bl5 s TYR 124 Cb 0.00 -0.36 1.36 0.00 -0.40 0.00 0.00 41.96 42.56 2bl5 s TYR 124 CO 0.00 -0.13 2.01 0.07 -1.57 0.00 0.00 175.55 175.94 2bl5 h ARG 125 N 7.43 0.00 0.00 -0.62 0.11 -1.99 -1.62 114.38 117.70 2bl5 h ARG 125 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 2bl5 h ARG 125 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2bl5 h ARG 125 CO 0.44 0.13 0.00 -0.44 0.10 0.00 0.00 179.97 180.19 2bl5 h ASP 126 N 0.00 0.00 -0.06 0.08 5.19 -1.96 -2.78 116.42 116.89 2bl5 h ASP 126 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2bl5 h ASP 126 Cb 0.45 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 2bl5 h ASP 126 CO 0.02 0.00 0.02 0.00 -3.12 0.00 0.00 179.24 176.16 2bl5 n ALA 127 N -2.06 2.68 0.28 3.45 0.00 -0.61 -3.83 120.51 120.42 2bl5 n ALA 127 Ca 0.02 -0.19 0.17 0.00 0.00 0.00 0.00 53.44 53.44 2bl5 n ALA 127 Cb 0.37 -1.02 0.79 0.00 0.00 0.00 0.00 19.45 19.58 2bl5 n ALA 127 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2bl5 h ASN 128 N 0.21 0.00 -3.62 0.00 7.08 -1.64 -3.36 115.58 114.25 2bl5 h ASN 128 Ca 0.02 0.00 -0.69 0.00 -3.08 0.00 0.00 56.30 52.55 2bl5 h ASN 128 Cb 0.87 0.00 -0.34 0.00 -2.08 0.00 0.00 38.32 36.77 2bl5 h ASN 128 CO 0.06 0.05 -0.62 -0.22 -2.08 0.00 0.00 177.43 174.62 2bl5 s LEU 129 N -6.44 4.64 -0.04 6.14 0.20 -1.25 -5.07 118.68 116.86 2bl5 s LEU 129 Ca -0.01 -1.67 0.01 0.00 0.69 0.00 0.00 54.13 53.15 2bl5 s LEU 129 Cb 0.11 -1.78 0.02 0.00 -0.43 0.00 0.00 46.19 44.11 2bl5 s LEU 129 CO 0.53 -0.41 -0.03 -1.59 -0.29 0.00 0.00 176.35 174.57 2bl5 s LYS 130 N 1.20 0.59 -0.39 1.98 -2.85 -1.26 -5.12 119.74 113.89 2bl5 s LYS 130 Ca 0.02 -0.03 -0.28 0.00 -1.00 0.00 0.00 55.97 54.68 2bl5 s LYS 130 Cb -0.21 -0.66 0.02 0.00 -2.06 0.00 0.00 37.83 34.92 2bl5 s LYS 130 CO -0.03 -0.10 1.05 -1.12 0.10 0.00 0.00 175.35 175.26 2bl5 s SER 131 N 0.92 6.75 0.36 0.03 0.01 -1.26 -4.92 113.70 115.60 2bl5 s SER 131 Ca -0.11 0.71 0.08 0.00 1.31 0.00 0.00 55.95 57.94 2bl5 s SER 131 Cb -0.14 -2.52 0.70 0.00 0.21 0.00 0.00 66.02 64.27 2bl5 s SER 131 CO -0.01 -1.00 1.88 -0.65 0.41 0.00 0.00 173.24 173.87 2bl5 h PRO 132 N 8.58 0.31 -0.00 12.44 0.11 -2.04 -2.64 132.00 148.76 2bl5 h PRO 132 Ca -0.22 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2bl5 h PRO 132 Cb 1.07 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2bl5 h PRO 132 CO 1.05 0.45 -0.21 0.00 -0.21 0.00 0.00 178.00 179.08 2bl5 n ALA 133 N -2.49 2.87 -3.22 -0.75 0.00 -1.26 -4.25 120.51 111.42 2bl5 n ALA 133 Ca -0.00 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 2bl5 n ALA 133 Cb 0.29 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 2bl5 n ALA 133 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bl5 n LEU 134 N -1.38 4.55 0.00 0.00 4.77 -0.99 -5.33 117.00 118.62 2bl5 n LEU 134 Ca 0.08 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.61 2bl5 n LEU 134 Cb 0.33 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2bl5 n LEU 134 CO 0.29 2.05 0.00 1.57 -1.33 0.00 0.00 177.39 179.98