#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 2.01 -0.07 2.61 0.05 -0.43 -4.93 118.68 117.92 2bl5 s LEU 2 Ca 0.00 -0.41 0.05 0.00 0.05 0.00 0.00 54.13 53.83 2bl5 s LEU 2 Cb 0.00 -1.13 -0.01 0.00 -2.05 0.00 0.00 46.19 43.01 2bl5 s LEU 2 CO 0.00 0.23 -0.25 -1.10 -0.55 0.00 0.00 176.35 174.68 2bl5 s GLN 3 N -0.26 2.75 -0.13 1.48 -0.21 -1.26 -1.79 119.66 120.23 2bl5 s GLN 3 Ca 0.02 -0.89 0.03 0.00 0.02 0.00 0.00 55.36 54.53 2bl5 s GLN 3 Cb -0.10 -2.22 0.01 0.00 1.00 0.00 0.00 33.01 31.69 2bl5 s GLN 3 CO 0.01 0.30 -0.22 -1.21 -2.12 0.00 0.00 175.29 172.06 2bl5 s GLU 4 N 0.03 3.05 -0.22 2.91 2.02 -0.66 -4.99 118.70 120.85 2bl5 s GLU 4 Ca -0.10 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 54.01 2bl5 s GLU 4 Cb -0.15 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 2bl5 s GLU 4 CO 0.06 0.03 -0.05 0.15 0.02 0.00 0.00 175.26 175.47 2bl5 s LYS 5 N 0.71 3.38 -0.42 1.61 3.01 -1.26 -1.26 119.74 125.50 2bl5 s LYS 5 Ca -0.09 -0.63 -0.07 0.00 -1.01 0.00 0.00 55.97 54.17 2bl5 s LYS 5 Cb -0.16 -3.00 0.10 0.00 -1.01 0.00 0.00 37.83 33.76 2bl5 s LYS 5 CO 0.01 -0.19 0.25 -0.51 0.51 0.00 0.00 175.35 175.41 2bl5 s LEU 6 N 1.45 5.23 0.24 3.17 1.43 0.15 -4.96 118.68 125.39 2bl5 s LEU 6 Ca 0.05 -1.75 -0.30 0.00 -1.03 0.00 0.00 54.13 51.11 2bl5 s LEU 6 Cb -0.14 -1.93 -0.09 0.00 0.03 0.00 0.00 46.19 44.06 2bl5 s LEU 6 CO -0.03 -0.56 1.01 -0.31 0.23 0.00 0.00 176.35 176.68 2bl5 s TYR 7 N 1.31 3.81 -0.21 0.29 1.51 -1.26 -1.16 117.35 121.64 2bl5 s TYR 7 Ca 0.05 1.82 -0.01 0.00 -1.01 0.00 0.00 57.07 57.92 2bl5 s TYR 7 Cb -0.24 -3.11 0.06 0.00 -0.11 0.00 0.00 41.96 38.56 2bl5 s TYR 7 CO -0.01 0.03 -0.03 0.14 -1.11 0.00 0.00 175.55 174.58 2bl5 s VAL 8 N -1.06 1.14 -0.80 0.71 -7.23 -1.01 -4.94 120.40 107.20 2bl5 s VAL 8 Ca 0.43 -0.91 -0.25 0.00 -1.81 0.00 0.00 61.98 59.44 2bl5 s VAL 8 Cb -0.28 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2bl5 s VAL 8 CO 0.35 -0.10 1.83 -2.16 -0.31 0.00 0.00 175.10 174.72 2bl5 s PRO 9 N 1.58 2.71 0.57 4.82 0.04 -1.26 -4.32 135.00 139.14 2bl5 s PRO 9 Ca -0.03 -0.05 0.35 0.00 0.04 0.00 0.00 61.00 61.31 2bl5 s PRO 9 Cb -0.18 -4.81 1.64 0.00 0.04 0.00 0.00 34.50 31.19 2bl5 s PRO 9 CO -0.07 -2.98 2.09 -0.24 0.04 0.00 0.00 177.00 175.84 2bl5 h VAL 10 N 7.02 0.11 0.00 -0.36 3.04 -1.84 0.18 116.25 124.40 2bl5 h VAL 10 Ca -0.04 -0.42 -0.05 0.00 -1.01 0.00 0.00 66.70 65.18 2bl5 h VAL 10 Cb 1.06 1.37 -0.01 0.00 -2.01 0.00 0.00 31.29 31.70 2bl5 h VAL 10 CO 1.24 0.03 -0.25 0.07 -1.01 0.00 0.00 177.57 177.65 2bl5 h LYS 11 N 0.00 0.00 0.25 4.17 2.10 -1.96 -2.70 116.57 118.44 2bl5 h LYS 11 Ca -0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 2bl5 h LYS 11 Cb 0.37 0.00 0.04 0.00 -0.90 0.00 0.00 32.23 31.74 2bl5 h LYS 11 CO 0.00 0.25 -1.47 0.93 -2.00 0.00 0.00 179.45 177.16 2bl5 h GLU 12 N 0.00 0.53 -2.94 0.07 4.39 -1.04 -3.40 114.58 112.20 2bl5 h GLU 12 Ca -0.00 -0.91 -0.62 0.00 0.34 0.00 0.00 59.36 58.17 2bl5 h GLU 12 Cb 0.47 0.34 -0.42 0.00 -0.10 0.00 0.00 28.75 29.04 2bl5 h GLU 12 CO 0.03 1.44 -0.56 0.66 -1.16 0.00 0.00 179.01 179.42 2bl5 n TYR 13 N -3.71 3.37 0.32 4.33 4.02 -0.83 -4.89 117.16 119.77 2bl5 n TYR 13 Ca -0.16 -4.28 0.16 0.00 -0.01 0.00 0.00 57.90 53.60 2bl5 n TYR 13 Cb 1.10 -0.63 0.64 0.00 -0.02 0.00 0.00 39.34 40.43 2bl5 n TYR 13 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2bl5 h PRO 14 N 5.18 0.00 0.00 -0.72 0.11 -1.71 -2.83 132.00 132.04 2bl5 h PRO 14 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2bl5 h PRO 14 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2bl5 h PRO 14 CO 0.74 0.00 -1.09 -3.47 -0.21 0.00 0.00 178.00 173.97 2bl5 n ASP 15 N -2.77 0.82 -4.43 -2.05 2.03 -1.26 -4.79 116.55 104.09 2bl5 n ASP 15 Ca 0.01 -0.75 -0.44 0.00 0.52 0.00 0.00 54.79 54.13 2bl5 n ASP 15 Cb 0.27 1.18 -0.09 0.00 -0.72 0.00 0.00 41.12 41.76 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 -2.90 3.24 -0.82 -0.67 5.36 -1.07 -5.02 117.98 116.10 2bl5 s PHE 16 Ca 0.04 -0.71 -0.25 0.00 -0.96 0.00 0.00 56.93 55.06 2bl5 s PHE 16 Cb 0.14 -2.83 0.04 0.00 -0.34 0.00 0.00 43.02 40.03 2bl5 s PHE 16 CO 0.78 -0.68 1.30 0.54 -1.46 0.00 0.00 175.22 175.70 2bl5 s ASN 17 N 2.04 6.28 0.35 6.13 6.03 -1.26 -4.84 114.94 129.68 2bl5 s ASN 17 Ca 0.05 -0.85 0.07 0.00 -1.03 0.00 0.00 52.86 51.09 2bl5 s ASN 17 Cb -0.21 -2.54 0.67 0.00 -3.03 0.00 0.00 41.25 36.13 2bl5 s ASN 17 CO 0.09 -1.68 1.88 -0.26 -2.03 0.00 0.00 177.10 175.10 2bl5 h PHE 18 N 9.88 0.40 0.04 1.54 0.04 -1.95 0.56 116.94 127.45 2bl5 h PHE 18 Ca -0.12 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.60 2bl5 h PHE 18 Cb 1.04 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.07 2bl5 h PHE 18 CO 1.16 0.47 -0.02 0.28 -0.60 0.00 0.00 178.31 179.61 2bl5 h VAL 19 N 0.37 1.16 0.00 -0.55 2.07 -1.90 0.65 116.25 118.04 2bl5 h VAL 19 Ca 0.08 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2bl5 h VAL 19 Cb 0.38 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2bl5 h VAL 19 CO 0.02 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.38 2bl5 n GLY 20 N -0.37 -0.95 0.13 2.17 0.00 -0.87 0.27 105.19 105.58 2bl5 n GLY 20 Ca -0.08 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.85 0.65 -0.02 1.61 3.00 0.19 -3.36 116.66 116.87 2bl5 n ARG 21 Ca 0.01 0.17 -0.22 0.00 -0.00 0.00 0.00 57.85 57.82 2bl5 n ARG 21 Cb 0.12 -1.53 -0.13 0.00 0.00 0.00 0.00 32.46 30.92 2bl5 n ARG 21 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2bl5 n ILE 22 N -3.38 1.73 -0.11 5.15 2.08 0.22 -4.47 119.36 120.59 2bl5 n ILE 22 Ca -0.46 -0.54 -0.14 0.00 0.56 0.00 0.00 62.75 62.17 2bl5 n ILE 22 Cb 0.98 -1.79 -0.14 0.00 -0.75 0.00 0.00 39.64 37.94 2bl5 n ILE 22 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2bl5 n LEU 23 N -3.66 1.49 0.00 1.39 4.32 0.14 -2.84 117.00 117.84 2bl5 n LEU 23 Ca -0.32 -0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.63 2bl5 n LEU 23 Cb 0.98 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.56 2bl5 n LEU 23 CO 0.38 0.71 0.29 0.61 -1.22 0.00 0.00 177.39 178.16 2bl5 n GLY 24 N 1.98 -3.36 0.08 -0.72 0.00 0.11 -0.97 105.19 102.31 2bl5 n GLY 24 Ca -0.38 0.52 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 2bl5 n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bl5 h PRO 25 N 0.00 0.00 -0.23 1.61 0.13 -1.81 -3.39 132.00 128.31 2bl5 h PRO 25 Ca 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.96 2bl5 h PRO 25 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2bl5 h PRO 25 CO 0.00 0.52 -0.61 0.54 -0.23 0.00 0.00 178.00 178.22 2bl5 n ARG 26 N -3.06 2.19 0.33 0.86 1.74 -1.25 -4.77 116.66 112.70 2bl5 n ARG 26 Ca -0.14 -3.56 0.19 0.00 -0.77 0.00 0.00 57.85 53.57 2bl5 n ARG 26 Cb 1.01 -1.80 1.00 0.00 -1.02 0.00 0.00 32.46 31.65 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 1.37 0.00 1.72 -0.13 0.00 -0.90 0.85 103.07 105.98 2bl5 h GLY 27 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.47 2bl5 h GLY 27 CO 0.23 0.00 0.11 1.41 0.00 0.00 0.00 176.54 178.29 2bl5 h LEU 28 N 0.00 0.00 -0.93 3.11 3.38 -1.85 -1.38 115.31 117.64 2bl5 h LEU 28 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2bl5 h LEU 28 Cb 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2bl5 h LEU 28 CO -0.00 0.00 0.33 0.00 0.09 0.00 0.00 178.44 178.86 2bl5 h THR 29 N 0.00 1.25 -0.51 0.22 1.03 -1.12 0.40 112.91 114.17 2bl5 h THR 29 Ca 0.05 -0.73 -0.11 0.00 -0.01 0.00 0.00 66.41 65.61 2bl5 h THR 29 Cb 0.27 0.31 -0.02 0.00 -1.07 0.00 0.00 68.15 67.64 2bl5 h THR 29 CO -0.00 0.30 -0.10 0.00 -0.01 0.00 0.00 175.52 175.71 2bl5 h ALA 30 N 1.28 0.70 -0.63 0.00 0.00 -1.44 -1.67 119.26 117.50 2bl5 h ALA 30 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2bl5 h ALA 30 Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2bl5 h ALA 30 CO -0.03 0.61 0.06 -0.22 0.00 0.00 0.00 179.25 179.67 2bl5 h LYS 31 N 0.84 1.06 -0.53 0.00 3.64 -1.14 -2.54 116.57 117.90 2bl5 h LYS 31 Ca 0.13 -0.31 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 2bl5 h LYS 31 Cb 0.66 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2bl5 h LYS 31 CO 0.05 1.01 -0.12 1.96 -2.27 0.00 0.00 179.45 180.07 2bl5 h GLN 32 N 0.97 1.00 -0.38 1.90 1.08 -0.08 -1.77 115.11 117.83 2bl5 h GLN 32 Ca 0.19 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 56.99 2bl5 h GLN 32 Cb 0.49 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 2bl5 h GLN 32 CO 0.02 1.05 0.14 -0.07 -0.95 0.00 0.00 178.83 179.03 2bl5 h LEU 33 N 0.89 0.54 -0.33 1.46 4.07 -1.13 0.34 115.31 121.15 2bl5 h LEU 33 Ca 0.14 -0.18 -0.19 0.00 0.08 0.00 0.00 57.88 57.73 2bl5 h LEU 33 Cb 0.68 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.28 2bl5 h LEU 33 CO 0.05 0.57 -0.61 1.05 -1.08 0.00 0.00 178.44 178.42 2bl5 h GLU 34 N 0.47 0.74 -0.42 1.13 4.11 -1.14 0.27 114.58 119.75 2bl5 h GLU 34 Ca 0.13 -0.51 -0.07 0.00 0.07 0.00 0.00 59.36 58.97 2bl5 h GLU 34 Cb 0.21 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2bl5 h GLU 34 CO -0.01 1.13 -0.03 0.00 0.07 0.00 0.00 179.01 180.18 2bl5 h ALA 35 N 0.75 0.57 0.00 1.06 0.00 -1.16 -2.48 119.26 118.00 2bl5 h ALA 35 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 2bl5 h ALA 35 Cb 1.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2bl5 h ALA 35 CO 0.13 0.38 -0.71 0.93 0.00 0.00 0.00 179.25 179.98 2bl5 h GLU 36 N 0.60 0.00 0.00 0.00 4.39 -0.24 -3.37 114.58 115.95 2bl5 h GLU 36 Ca 0.12 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2bl5 h GLU 36 Cb 0.53 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2bl5 h GLU 36 CO 0.03 0.97 -0.04 1.79 -1.16 0.00 0.00 179.01 180.60 2bl5 h THR 37 N -1.00 0.08 0.00 1.13 1.35 -0.60 -3.46 112.91 110.40 2bl5 h THR 37 Ca -0.19 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 2bl5 h THR 37 Cb 1.15 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2bl5 h THR 37 CO -0.12 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 175.81 2bl5 n GLY 38 N 1.06 0.85 3.49 5.82 0.00 -0.93 -4.78 105.19 110.69 2bl5 n GLY 38 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 1.67 3.34 -0.49 0.00 2.20 0.31 -2.50 119.74 124.27 2bl5 s LYS 40 Ca 0.06 -0.77 -0.29 0.00 -0.36 0.00 0.00 55.97 54.61 2bl5 s LYS 40 Cb -0.16 -4.63 0.03 0.00 -1.51 0.00 0.00 37.83 31.56 2bl5 s LYS 40 CO 0.07 -2.07 1.16 -1.50 -0.36 0.00 0.00 175.35 172.65 2bl5 s ILE 41 N 4.90 4.16 -0.12 5.43 2.07 -1.26 -2.85 121.20 133.54 2bl5 s ILE 41 Ca 0.36 1.16 -0.02 0.00 -1.41 0.00 0.00 60.65 60.75 2bl5 s ILE 41 Cb -0.07 -4.60 -0.03 0.00 0.13 0.00 0.00 42.46 37.89 2bl5 s ILE 41 CO 0.04 -1.05 -0.06 0.00 -1.91 0.00 0.00 174.94 171.96 2bl5 s MET 42 N 4.56 3.30 -0.40 3.50 0.23 0.91 -4.88 119.30 126.52 2bl5 s MET 42 Ca 0.48 -0.55 -0.28 0.00 -1.03 0.00 0.00 55.69 54.31 2bl5 s MET 42 Cb -0.07 -2.76 0.02 0.00 -1.53 0.00 0.00 34.83 30.49 2bl5 s MET 42 CO 0.31 0.40 1.06 0.08 -2.03 0.00 0.00 175.02 174.85 2bl5 s VAL 43 N -0.09 4.41 -0.23 5.16 1.01 -1.26 -1.63 120.40 127.77 2bl5 s VAL 43 Ca 0.01 1.39 -0.07 0.00 0.00 0.00 0.00 61.98 63.32 2bl5 s VAL 43 Cb -0.13 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 2bl5 s VAL 43 CO 0.03 -0.71 0.06 -0.13 0.00 0.00 0.00 175.10 174.34 2bl5 s ARG 44 N 3.93 3.67 0.00 2.72 0.52 0.11 -4.60 118.95 125.30 2bl5 s ARG 44 Ca 0.45 -0.47 0.00 0.00 -0.52 0.00 0.00 55.73 55.18 2bl5 s ARG 44 Cb -0.10 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.10 2bl5 s ARG 44 CO 0.23 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.85 2bl5 n GLY 45 N 4.67 0.77 3.56 -3.53 0.00 0.63 0.66 105.19 111.96 2bl5 n GLY 45 Ca -0.16 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.69 2.70 0.00 1.61 -2.85 -0.86 -3.10 119.74 115.54 2bl5 s LYS 46 Ca 0.00 1.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.98 2bl5 s LYS 46 Cb 0.00 -4.38 0.00 0.00 -2.06 0.00 0.00 37.83 31.39 2bl5 s LYS 46 CO 0.00 -2.62 0.00 0.41 0.10 0.00 0.00 175.35 173.24 2bl5 n GLY 47 N 5.70 1.99 0.20 0.59 0.00 -1.26 -4.80 105.19 107.61 2bl5 n GLY 47 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.39 -0.19 1.61 0.87 -1.77 -3.40 113.55 110.28 2bl5 h SER 48 Ca 0.00 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.39 2bl5 h SER 48 Cb 0.00 0.10 -0.25 0.00 -0.44 0.00 0.00 62.40 61.81 2bl5 h SER 48 CO 0.00 -0.12 -0.80 0.23 -0.53 0.00 0.00 176.83 175.61 2bl5 n MET 49 N -4.12 1.47 0.00 2.24 2.81 -1.26 -4.93 117.12 113.33 2bl5 n MET 49 Ca -0.06 -3.09 0.00 0.00 -1.81 0.00 0.00 57.70 52.75 2bl5 n MET 49 Cb 0.18 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 -0.49 0.27 -1.97 0.03 1.74 -1.26 -4.68 116.66 110.30 2bl5 n ARG 50 Ca 0.18 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.88 2bl5 n ARG 50 Cb 0.89 -1.29 0.02 0.00 -1.02 0.00 0.00 32.46 31.07 2bl5 n ARG 50 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2bl5 s ASP 51 N 0.40 5.72 0.23 0.55 2.15 -1.26 -4.75 116.67 119.71 2bl5 s ASP 51 Ca 0.00 2.62 -0.06 0.00 0.43 0.00 0.00 52.55 55.54 2bl5 s ASP 51 Cb 0.00 -2.63 0.36 0.00 -0.30 0.00 0.00 42.92 40.35 2bl5 s ASP 51 CO 0.00 -1.25 1.78 0.50 -0.17 0.00 0.00 175.17 176.03 2bl5 h LYS 52 N 1.85 0.61 -0.59 4.34 3.64 -1.99 0.91 116.57 125.34 2bl5 h LYS 52 Ca -0.50 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 2bl5 h LYS 52 Cb 1.27 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 2bl5 h LYS 52 CO 0.59 0.40 0.20 1.57 -2.27 0.00 0.00 179.45 179.94 2bl5 h LYS 53 N 0.62 0.87 -0.14 1.90 2.10 -1.95 -2.61 116.57 117.36 2bl5 h LYS 53 Ca 0.37 -0.15 -0.04 0.00 -2.00 0.00 0.00 60.65 58.83 2bl5 h LYS 53 Cb 0.39 -0.14 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2bl5 h LYS 53 CO -0.28 0.73 -0.07 0.87 -2.00 0.00 0.00 179.45 178.71 2bl5 h LYS 54 N 0.85 0.29 0.00 0.07 1.57 -1.15 -2.21 116.57 115.99 2bl5 h LYS 54 Ca 0.20 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2bl5 h LYS 54 Cb 0.21 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2bl5 h LYS 54 CO -0.01 0.63 -0.01 1.05 -0.57 0.00 0.00 179.45 180.53 2bl5 h GLU 55 N -0.05 0.00 0.00 3.15 4.11 -1.08 0.79 114.58 121.50 2bl5 h GLU 55 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.38 2bl5 h GLU 55 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2bl5 h GLU 55 CO 0.02 0.01 -0.59 0.93 0.07 0.00 0.00 179.01 179.45 2bl5 h GLU 56 N 0.00 0.00 0.00 1.06 5.08 -1.27 -3.39 114.58 116.06 2bl5 h GLU 56 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 2bl5 h GLU 56 Cb 0.11 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2bl5 h GLU 56 CO 0.00 0.59 -1.88 0.00 -1.00 0.00 0.00 179.01 176.71 2bl5 n GLN 57 N -4.57 1.24 -0.24 2.33 10.64 -0.85 -4.46 117.38 121.46 2bl5 n GLN 57 Ca -0.16 0.04 0.09 0.00 -1.83 0.00 0.00 57.00 55.14 2bl5 n GLN 57 Cb 0.42 -1.32 0.25 0.00 -0.86 0.00 0.00 30.24 28.73 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 -2.70 2.83 -4.57 2.61 2.85 0.14 -4.95 115.26 111.46 2bl5 n ASN 58 Ca -0.24 -1.97 -0.29 0.00 -0.11 0.00 0.00 54.58 51.97 2bl5 n ASN 58 Cb 0.86 -0.32 0.21 0.00 1.24 0.00 0.00 39.78 41.77 2bl5 n ASN 58 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bl5 s ARG 59 N -1.36 -0.12 0.00 1.20 1.04 0.23 -3.64 118.95 116.30 2bl5 s ARG 59 Ca 0.36 1.03 0.00 0.00 -1.04 0.00 0.00 55.73 56.08 2bl5 s ARG 59 Cb 0.19 -1.63 0.00 0.00 -2.04 0.00 0.00 34.95 31.47 2bl5 s ARG 59 CO 0.26 -3.24 0.00 0.41 -0.04 0.00 0.00 175.30 172.68 2bl5 n GLY 60 N 0.37 1.87 3.83 3.88 0.00 -1.26 -4.94 105.19 108.93 2bl5 n GLY 60 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.32 0.06 1.61 -2.85 -1.24 -4.47 119.74 115.17 2bl5 s LYS 61 Ca 0.00 -1.83 0.05 0.00 -1.00 0.00 0.00 55.97 53.19 2bl5 s LYS 61 Cb 0.00 -2.12 0.19 0.00 -2.06 0.00 0.00 37.83 33.84 2bl5 s LYS 61 CO 0.00 -0.30 0.18 -2.30 0.10 0.00 0.00 175.35 173.03 2bl5 n PRO 62 N -1.49 -0.00 0.06 1.78 -0.02 -1.26 0.59 135.00 134.65 2bl5 n PRO 62 Ca -0.01 0.14 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 2bl5 n PRO 62 Cb 0.64 -0.29 0.23 0.00 -0.02 0.00 0.00 33.50 34.06 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 0.37 0.47 2.55 -0.00 -1.93 -1.22 115.58 115.82 2bl5 h ASN 63 Ca 0.11 -0.13 -0.29 0.00 -0.00 0.00 0.00 56.30 55.99 2bl5 h ASN 63 Cb 0.38 -0.10 -0.05 0.00 -0.00 0.00 0.00 38.32 38.54 2bl5 h ASN 63 CO -0.04 0.65 -1.74 0.79 -0.00 0.00 0.00 177.43 177.10 2bl5 n TRP 64 N -4.11 0.92 -0.17 4.14 7.02 0.20 -2.24 117.44 123.20 2bl5 n TRP 64 Ca -0.01 0.33 -0.03 0.00 -1.02 0.00 0.00 57.50 56.78 2bl5 n TRP 64 Cb 0.41 -1.16 0.04 0.00 -2.42 0.00 0.00 31.31 28.18 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 0.00 -0.18 -0.99 4.81 -1.21 -0.69 114.58 116.32 2bl5 h GLU 65 Ca -0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2bl5 h GLU 65 Cb 1.99 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.37 2bl5 h GLU 65 CO 0.07 0.00 0.00 -2.39 -0.73 0.00 0.00 179.01 175.96 2bl5 n HIS 66 N -5.37 0.21 0.29 0.92 1.44 -0.51 -4.16 115.22 108.04 2bl5 n HIS 66 Ca 0.05 -0.11 0.16 0.00 -2.01 0.00 0.00 57.72 55.81 2bl5 n HIS 66 Cb 0.28 0.00 0.88 0.00 0.12 0.00 0.00 29.99 31.27 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 4.41 0.00 -0.90 2.39 5.85 -0.65 0.22 115.31 126.62 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 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2bl5 h LEU 67 CO 0.00 0.05 0.00 -0.46 -0.34 0.00 0.00 178.44 177.69 2bl5 n ASN 68 N -3.54 1.35 -4.95 1.25 0.23 -1.21 -2.52 115.26 105.88 2bl5 n ASN 68 Ca -0.02 -1.69 -0.23 0.00 -0.53 0.00 0.00 54.58 52.11 2bl5 n ASN 68 Cb 0.17 -0.10 0.03 0.00 -2.08 0.00 0.00 39.78 37.80 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 2.81 0.11 -3.83 0.41 -0.34 -4.98 118.70 111.06 2bl5 s GLU 69 Ca 0.30 -0.49 -0.18 0.00 -0.41 0.00 0.00 54.97 54.18 2bl5 s GLU 69 Cb 0.16 -2.46 -0.07 0.00 -1.78 0.00 0.00 34.13 29.98 2bl5 s GLU 69 CO 0.24 -0.55 0.58 0.34 -0.49 0.00 0.00 175.26 175.38 2bl5 s ASP 70 N -4.32 7.01 -0.21 -0.19 2.15 -1.26 -2.03 116.67 117.82 2bl5 s ASP 70 Ca 0.53 1.24 -0.36 0.00 0.43 0.00 0.00 52.55 54.39 2bl5 s ASP 70 Cb -0.10 -2.35 -0.12 0.00 -0.30 0.00 0.00 42.92 40.04 2bl5 s ASP 70 CO 0.40 0.21 1.94 -0.11 -0.17 0.00 0.00 175.17 177.44 2bl5 n LEU 71 N 1.40 2.87 -3.92 -1.34 7.94 -1.25 -4.35 117.00 118.35 2bl5 n LEU 71 Ca -0.08 0.83 -0.09 0.00 -1.11 0.00 0.00 56.01 55.55 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 0.42 -0.33 -0.07 -1.38 -1.11 0.00 0.00 177.39 174.92 2bl5 s HIS 72 N 4.96 0.30 -0.15 1.96 -3.43 0.21 -2.41 115.29 116.72 2bl5 s HIS 72 Ca 0.99 -0.70 -0.08 0.00 -0.80 0.00 0.00 55.06 54.47 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 -0.63 0.12 0.14 -2.00 0.00 0.00 174.74 172.91 2bl5 s VAL 73 N -3.92 5.36 -0.15 -5.38 -7.23 -0.31 0.04 120.40 108.81 2bl5 s VAL 73 Ca 0.12 0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 60.44 2bl5 s VAL 73 Cb 0.04 -3.38 0.04 0.00 0.56 0.00 0.00 36.38 33.64 2bl5 s VAL 73 CO -0.05 0.54 -0.04 -0.22 -0.31 0.00 0.00 175.10 175.02 2bl5 s LEU 74 N -0.39 1.39 -0.52 1.32 0.20 -0.64 0.30 118.68 120.34 2bl5 s LEU 74 Ca 0.11 -0.58 -0.26 0.00 0.69 0.00 0.00 54.13 54.09 2bl5 s LEU 74 Cb -0.12 -0.81 0.03 0.00 -0.43 0.00 0.00 46.19 44.87 2bl5 s LEU 74 CO 0.01 -0.19 1.04 0.27 -0.29 0.00 0.00 176.35 177.19 2bl5 s ILE 75 N 1.71 4.28 -0.40 6.68 -4.36 -0.39 -0.06 121.20 128.66 2bl5 s ILE 75 Ca 0.01 0.72 -0.11 0.00 -0.26 0.00 0.00 60.65 61.02 2bl5 s ILE 75 Cb -0.15 -4.57 0.05 0.00 1.25 0.00 0.00 42.46 39.04 2bl5 s ILE 75 CO -0.07 -1.09 0.25 -0.89 0.24 0.00 0.00 174.94 173.38 2bl5 s THR 76 N 4.26 4.60 -0.20 8.37 2.01 -1.13 -1.65 115.64 131.89 2bl5 s THR 76 Ca 0.38 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 2bl5 s THR 76 Cb -0.10 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2bl5 s THR 76 CO 0.25 -0.37 -0.14 0.54 -0.69 0.00 0.00 174.62 174.21 2bl5 s VAL 77 N 1.53 2.53 -0.93 3.82 0.11 -0.74 -0.53 120.40 126.19 2bl5 s VAL 77 Ca 0.03 -0.82 -0.21 0.00 -2.93 0.00 0.00 61.98 58.05 2bl5 s VAL 77 Cb -0.21 -2.12 0.10 0.00 -1.53 0.00 0.00 36.38 32.61 2bl5 s VAL 77 CO 0.06 0.46 1.22 -1.61 -3.33 0.00 0.00 175.10 171.90 2bl5 s GLU 78 N 1.35 3.55 -0.30 1.54 2.02 -1.26 -1.31 118.70 124.29 2bl5 s GLU 78 Ca 0.05 -1.46 -0.26 0.00 0.02 0.00 0.00 54.97 53.32 2bl5 s GLU 78 Cb -0.14 -4.99 0.19 0.00 0.10 0.00 0.00 34.13 29.29 2bl5 s GLU 78 CO -0.09 -1.92 1.44 0.34 0.02 0.00 0.00 175.26 175.05 2bl5 s ASP 79 N 4.07 -0.03 0.00 -0.19 -1.08 -1.26 -4.96 116.67 113.21 2bl5 s ASP 79 Ca 0.36 0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.69 2bl5 s ASP 79 Cb -0.04 0.05 0.29 0.00 -1.46 0.00 0.00 42.92 41.76 2bl5 s ASP 79 CO -0.08 -0.01 1.32 0.00 0.52 0.00 0.00 175.17 176.92 2bl5 n ALA 80 N 1.29 2.47 -2.66 3.66 0.00 -1.26 -4.45 120.51 119.55 2bl5 n ALA 80 Ca -0.08 -0.69 -0.38 0.00 0.00 0.00 0.00 53.44 52.29 2bl5 n ALA 80 Cb 0.57 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 2bl5 n ALA 80 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2bl5 s GLN 81 N -1.97 4.34 0.45 0.00 2.00 -1.26 -4.95 119.66 118.28 2bl5 s GLN 81 Ca 0.30 0.61 0.21 0.00 -2.00 0.00 0.00 55.36 54.47 2bl5 s GLN 81 Cb 0.20 -3.41 1.10 0.00 0.80 0.00 0.00 33.01 31.70 2bl5 s GLN 81 CO 0.30 0.20 1.95 -0.91 -0.50 0.00 0.00 175.29 176.33 2bl5 h ASN 82 N 6.44 0.00 -0.90 6.67 4.21 -1.99 -1.42 115.58 128.58 2bl5 h ASN 82 Ca -0.42 0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.12 2bl5 h ASN 82 Cb 1.19 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.34 2bl5 h ASN 82 CO 0.74 0.22 0.59 -0.09 -1.29 0.00 0.00 177.43 177.60 2bl5 h ARG 83 N 0.00 1.10 0.47 0.81 9.65 -1.98 0.24 114.38 124.67 2bl5 h ARG 83 Ca -0.00 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.79 2bl5 h ARG 83 Cb 0.49 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 2bl5 h ARG 83 CO 0.03 0.73 -0.23 0.00 2.80 0.00 0.00 179.97 183.30 2bl5 h ALA 84 N 1.47 -1.15 -0.25 2.80 0.00 -1.61 -2.75 119.26 117.77 2bl5 h ALA 84 Ca 0.35 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2bl5 h ALA 84 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2bl5 h ALA 84 CO -0.10 -1.10 0.17 1.05 0.00 0.00 0.00 179.25 179.26 2bl5 h GLU 85 N -0.64 0.18 -0.79 0.00 -0.00 -1.33 0.27 114.58 112.28 2bl5 h GLU 85 Ca -0.06 -0.01 0.02 0.00 -0.00 0.00 0.00 59.36 59.30 2bl5 h GLU 85 Cb 0.48 -0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 29.15 2bl5 h GLU 85 CO 0.11 0.12 0.52 1.25 -0.00 0.00 0.00 179.01 181.01 2bl5 h LEU 86 N 0.19 0.88 -0.21 3.06 5.85 -0.49 -0.80 115.31 123.78 2bl5 h LEU 86 Ca 0.11 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 2bl5 h LEU 86 Cb 0.20 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 2bl5 h LEU 86 CO -0.02 0.62 -0.18 0.50 -0.34 0.00 0.00 178.44 179.02 2bl5 h LYS 87 N 1.03 0.50 -0.07 1.25 3.64 -0.15 -2.82 116.57 119.95 2bl5 h LYS 87 Ca 0.30 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 59.28 2bl5 h LYS 87 Cb -0.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2bl5 h LYS 87 CO -0.07 0.82 -0.61 1.37 -2.27 0.00 0.00 179.45 178.68 2bl5 h LEU 88 N 0.18 0.30 -0.60 5.20 -0.00 -1.21 -2.73 115.31 116.45 2bl5 h LEU 88 Ca 0.04 -0.17 -0.13 0.00 -0.00 0.00 0.00 57.88 57.61 2bl5 h LEU 88 Cb 0.72 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 2bl5 h LEU 88 CO 0.05 0.84 -0.32 0.07 -0.00 0.00 0.00 178.44 179.08 2bl5 h LYS 89 N 0.19 0.76 -0.62 0.17 2.10 -1.20 0.33 116.57 118.31 2bl5 h LYS 89 Ca -0.01 -0.35 -0.09 0.00 -2.00 0.00 0.00 60.65 58.20 2bl5 h LYS 89 Cb 1.13 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.42 2bl5 h LYS 89 CO 0.10 0.97 0.05 0.07 -2.00 0.00 0.00 179.45 178.64 2bl5 h ARG 90 N 0.64 1.06 -0.15 0.07 0.11 -1.48 0.20 114.38 114.83 2bl5 h ARG 90 Ca 0.07 -0.31 -0.04 0.00 0.10 0.00 0.00 59.98 59.80 2bl5 h ARG 90 Cb 0.85 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.82 2bl5 h ARG 90 CO 0.07 1.01 -0.07 0.00 0.10 0.00 0.00 179.97 181.08 2bl5 h ALA 91 N 1.01 0.21 0.00 0.08 0.00 -1.29 -2.76 119.26 116.50 2bl5 h ALA 91 Ca 0.18 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2bl5 h ALA 91 Cb 0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2bl5 h ALA 91 CO 0.02 0.01 -0.23 -0.24 0.00 0.00 0.00 179.25 178.81 2bl5 h VAL 92 N -0.02 0.88 0.00 0.00 3.04 -0.24 -0.80 116.25 119.12 2bl5 h VAL 92 Ca 0.03 -0.90 -0.06 0.00 -1.01 0.00 0.00 66.70 64.77 2bl5 h VAL 92 Cb 0.54 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 2bl5 h VAL 92 CO 0.02 0.23 -0.27 -0.33 -1.01 0.00 0.00 177.57 176.21 2bl5 h GLU 93 N 0.00 0.00 -0.06 4.17 5.08 -0.41 0.36 114.58 123.72 2bl5 h GLU 93 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2bl5 h GLU 93 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2bl5 h GLU 93 CO 0.03 0.27 -0.37 0.93 -1.00 0.00 0.00 179.01 178.87 2bl5 h GLU 94 N 0.00 0.13 -0.61 2.33 4.39 -0.87 -1.39 114.58 118.55 2bl5 h GLU 94 Ca -0.00 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2bl5 h GLU 94 Cb 0.49 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2bl5 h GLU 94 CO 0.04 0.49 0.09 0.28 -1.16 0.00 0.00 179.01 178.74 2bl5 h VAL 95 N 0.11 1.25 -0.43 3.13 2.07 -0.62 -1.65 116.25 120.12 2bl5 h VAL 95 Ca 0.01 -1.00 0.12 0.00 0.82 0.00 0.00 66.70 66.65 2bl5 h VAL 95 Cb 0.71 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2bl5 h VAL 95 CO 0.05 0.37 0.31 0.50 0.02 0.00 0.00 177.57 178.82 2bl5 h LYS 96 N 0.94 0.05 -0.03 1.57 3.64 0.36 0.92 116.57 124.03 2bl5 h LYS 96 Ca 0.19 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.42 2bl5 h LYS 96 Cb 0.42 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2bl5 h LYS 96 CO 0.01 0.04 -0.63 -0.22 -2.27 0.00 0.00 179.45 176.38 2bl5 h LYS 97 N 0.06 0.13 0.08 1.90 1.63 -0.35 -3.31 116.57 116.70 2bl5 h LYS 97 Ca 0.21 -0.09 -0.34 0.00 -0.85 0.00 0.00 60.65 59.58 2bl5 h LYS 97 Cb 0.74 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 2bl5 h LYS 97 CO -0.01 0.71 -1.88 1.28 -3.45 0.00 0.00 179.45 176.10 2bl5 n LEU 98 N -3.83 1.94 -0.18 5.20 4.32 0.76 -4.29 117.00 120.92 2bl5 n LEU 98 Ca -0.02 0.29 0.00 0.00 -0.02 0.00 0.00 56.01 56.26 2bl5 n LEU 98 Cb 0.63 -0.61 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 2bl5 n LEU 98 CO 0.44 0.67 0.29 0.00 -1.22 0.00 0.00 177.39 177.57 2bl5 n LEU 99 N -3.31 0.25 -4.76 2.23 -0.00 0.29 -4.75 117.00 106.95 2bl5 n LEU 99 Ca -0.26 -0.13 -0.40 0.00 -0.00 0.00 0.00 56.01 55.23 2bl5 n LEU 99 Cb 1.05 -0.13 -0.06 0.00 -0.00 0.00 0.00 43.42 44.29 2bl5 n LEU 99 CO 0.44 0.06 0.59 0.68 -0.00 0.00 0.00 177.39 179.16 2bl5 s VAL 100 N -1.64 4.24 -1.91 1.47 -7.23 -1.26 -4.91 120.40 109.15 2bl5 s VAL 100 Ca 0.00 1.94 0.08 0.00 -1.81 0.00 0.00 61.98 62.19 2bl5 s VAL 100 Cb 0.00 -4.26 0.20 0.00 0.56 0.00 0.00 36.38 32.88 2bl5 s VAL 100 CO 0.00 0.48 0.94 -0.81 -0.31 0.00 0.00 175.10 175.40 2bl5 n PRO 101 N 1.70 0.22 0.00 4.82 -0.04 -1.26 -4.87 135.00 135.57 2bl5 n PRO 101 Ca -0.03 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2bl5 n PRO 101 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.05 0.00 -3.25 0.55 0.00 -1.26 -4.28 120.51 111.23 2bl5 n ALA 102 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.45 2bl5 n ALA 102 Cb 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.45 2bl5 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bl5 s ALA 103 N -0.81 -1.68 -0.07 0.00 0.00 -1.26 -5.12 121.76 112.82 2bl5 s ALA 103 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 2bl5 s ALA 103 Cb 0.00 -2.30 0.03 0.00 0.00 0.00 0.00 23.12 20.85 2bl5 s ALA 103 CO 0.00 -1.85 0.00 -2.00 0.00 0.00 0.00 175.76 171.92 2bl5 s GLU 104 N 2.52 0.57 -1.05 0.00 2.12 -1.26 -5.08 118.70 116.51 2bl5 s GLU 104 Ca 0.11 0.11 -0.22 0.00 0.36 0.00 0.00 54.97 55.32 2bl5 s GLU 104 Cb -0.11 -0.91 0.06 0.00 0.26 0.00 0.00 34.13 33.42 2bl5 s GLU 104 CO -0.25 -0.28 1.47 0.20 -0.54 0.00 0.00 175.26 175.86 2bl5 s GLY 105 N 1.87 1.33 0.51 -1.50 0.00 -1.26 -4.78 107.32 103.50 2bl5 s GLY 105 Ca 0.03 -2.36 0.34 0.00 0.00 0.00 0.00 44.72 42.73 2bl5 s GLY 105 CO -0.05 2.67 2.01 0.83 0.00 0.00 0.00 173.10 178.57 2bl5 h GLU 106 N 9.49 0.00 -0.05 2.90 5.08 -1.98 -3.25 114.58 126.76 2bl5 h GLU 106 Ca 0.23 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2bl5 h GLU 106 Cb 0.99 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 2bl5 h GLU 106 CO 1.42 0.00 -0.04 0.22 -1.00 0.00 0.00 179.01 179.61 2bl5 h ASP 107 N 0.00 -0.15 0.27 1.42 3.58 -2.00 0.16 116.42 119.70 2bl5 h ASP 107 Ca 0.00 0.02 -0.34 0.00 0.42 0.00 0.00 57.03 57.13 2bl5 h ASP 107 Cb 0.31 0.06 0.04 0.00 1.72 0.00 0.00 39.33 41.46 2bl5 h ASP 107 CO 0.00 -0.02 -1.49 -1.28 -2.88 0.00 0.00 179.24 173.57 2bl5 h SER 108 N -0.01 0.84 -1.00 2.28 0.87 -2.00 -3.31 113.55 111.21 2bl5 h SER 108 Ca 0.01 -0.91 0.06 0.00 -1.23 0.00 0.00 61.79 59.72 2bl5 h SER 108 Cb 0.04 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 61.66 2bl5 h SER 108 CO -0.06 1.71 0.65 -0.07 -0.53 0.00 0.00 176.83 178.53 2bl5 h LEU 109 N 0.15 1.05 0.33 2.23 3.38 -1.57 0.22 115.31 121.11 2bl5 h LEU 109 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 2bl5 h LEU 109 Cb 2.17 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2bl5 h LEU 109 CO 0.27 0.69 -0.16 0.50 0.09 0.00 0.00 178.44 179.83 2bl5 h LYS 110 N 1.20 -0.43 0.00 1.13 1.63 -0.81 -1.11 116.57 118.18 2bl5 h LYS 110 Ca 0.42 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.21 2bl5 h LYS 110 Cb 0.11 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 2bl5 h LYS 110 CO -0.16 -0.11 -0.17 1.57 -3.45 0.00 0.00 179.45 177.14 2bl5 h LYS 111 N -0.93 0.00 0.00 1.90 2.10 -1.61 -0.85 116.57 117.19 2bl5 h LYS 111 Ca -0.05 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.45 2bl5 h LYS 111 Cb 0.52 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.83 2bl5 h LYS 111 CO 0.07 0.17 -0.75 0.52 -2.00 0.00 0.00 179.45 177.46 2bl5 h MET 112 N 0.00 0.00 -0.13 0.07 2.86 -0.55 0.22 114.93 117.40 2bl5 h MET 112 Ca -0.00 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.46 2bl5 h MET 112 Cb 0.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 2bl5 h MET 112 CO 0.02 0.75 -0.67 -0.22 1.06 0.00 0.00 176.91 177.85 2bl5 h LYS 113 N 0.00 0.53 0.00 1.72 3.11 -0.18 0.22 116.57 121.97 2bl5 h LYS 113 Ca -0.01 -0.40 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 2bl5 h LYS 113 Cb 1.42 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.72 2bl5 h LYS 113 CO 0.10 1.02 -0.13 -0.07 -2.81 0.00 0.00 179.45 177.55 2bl5 h LEU 114 N 0.38 0.00 0.00 5.20 -0.00 -1.13 -3.39 115.31 116.37 2bl5 h LEU 114 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.88 57.60 2bl5 h LEU 114 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.87 2bl5 h LEU 114 CO 0.12 0.30 -1.50 0.80 -0.00 0.00 0.00 178.44 178.16 2bl5 n MET 115 N -3.34 0.56 0.16 1.13 1.56 0.65 -2.37 117.12 115.48 2bl5 n MET 115 Ca -0.02 0.47 0.12 0.00 -0.27 0.00 0.00 57.70 58.00 2bl5 n MET 115 Cb 0.07 -1.66 0.57 0.00 2.15 0.00 0.00 33.22 34.35 2bl5 n MET 115 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 2bl5 h GLU 116 N -1.00 0.00 0.40 2.12 4.39 -1.23 -1.06 114.58 118.19 2bl5 h GLU 116 Ca -0.39 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 2bl5 h GLU 116 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2bl5 h GLU 116 CO -0.24 0.00 -0.19 1.25 -1.16 0.00 0.00 179.01 178.67 2bl5 h LEU 117 N 0.00 -0.45 0.00 1.33 7.12 -0.73 -3.46 115.31 119.12 2bl5 h LEU 117 Ca 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2bl5 h LEU 117 Cb 0.17 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 2bl5 h LEU 117 CO 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 178.44 178.30 2bl5 n ALA 118 N -2.65 0.00 -0.23 1.25 0.00 -0.96 -5.02 120.51 112.90 2bl5 n ALA 118 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2bl5 n ALA 118 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2bl5 n ALA 118 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2bl5 n ILE 119 N 0.00 0.00 -2.19 0.00 5.41 -0.44 -4.44 119.36 117.69 2bl5 n ILE 119 Ca 0.00 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.32 2bl5 n ILE 119 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 2bl5 n ILE 119 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2bl5 n LEU 120 N 0.00 6.35 -0.25 1.39 7.99 -1.26 -4.67 117.00 126.54 2bl5 n LEU 120 Ca 0.00 -4.32 0.12 0.00 -0.01 0.00 0.00 56.01 51.79 2bl5 n LEU 120 Cb 0.00 -1.60 0.56 0.00 -0.11 0.00 0.00 43.42 42.27 2bl5 n LEU 120 CO 0.00 1.03 0.87 -0.46 -1.51 0.00 0.00 177.39 177.32 2bl5 n ASN 121 N 5.58 0.76 0.00 -1.43 0.23 -1.26 -4.74 115.26 114.41 2bl5 n ASN 121 Ca 0.46 -1.45 0.00 0.00 -0.53 0.00 0.00 54.58 53.06 2bl5 n ASN 121 Cb 0.39 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 2bl5 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2bl5 n GLY 122 N 0.99 1.25 0.13 4.83 0.00 -1.26 -4.98 105.19 106.14 2bl5 n GLY 122 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 0.83 0.00 2.61 2.02 -1.88 -3.35 112.91 113.14 2bl5 h THR 123 Ca 0.00 -0.04 -0.34 0.00 0.77 0.00 0.00 66.41 66.81 2bl5 h THR 123 Cb 0.00 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 2bl5 h THR 123 CO 0.00 0.02 -2.15 -1.22 0.37 0.00 0.00 175.52 172.54 2bl5 n TYR 124 N -5.13 0.00 0.00 3.16 4.01 -1.26 -4.99 117.16 112.95 2bl5 n TYR 124 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2bl5 n TYR 124 Cb 0.13 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 38.42 2bl5 n TYR 124 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2bl5 n ARG 125 N -3.77 0.00 -0.22 -0.72 3.00 -1.26 -4.59 116.66 109.10 2bl5 n ARG 125 Ca -0.40 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.59 2bl5 n ARG 125 Cb 0.80 0.00 0.44 0.00 0.00 0.00 0.00 32.46 33.71 2bl5 n ARG 125 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2bl5 h ASP 126 N 0.00 0.52 0.03 6.15 3.58 -1.94 0.13 116.42 124.90 2bl5 h ASP 126 Ca 0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 2bl5 h ASP 126 Cb 0.00 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2bl5 h ASP 126 CO 0.00 0.27 0.00 0.00 -2.88 0.00 0.00 179.24 176.63 2bl5 n ALA 127 N -2.48 1.76 -0.22 -0.78 0.00 -1.26 -1.79 120.51 115.74 2bl5 n ALA 127 Ca 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.52 2bl5 n ALA 127 Cb 0.50 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 18.90 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 0.56 -3.67 0.00 -1.24 -1.11 -3.38 115.58 106.73 2bl5 h ASN 128 Ca 0.00 0.02 -0.57 0.00 0.71 0.00 0.00 56.30 56.46 2bl5 h ASN 128 Cb 0.02 -0.09 -0.08 0.00 0.73 0.00 0.00 38.32 38.90 2bl5 h ASN 128 CO 0.00 0.37 0.88 -0.76 -1.29 0.00 0.00 177.43 176.63 2bl5 s LEU 129 N -10.24 3.68 0.02 0.34 1.43 -0.74 -4.98 118.68 108.20 2bl5 s LEU 129 Ca -0.13 0.38 -0.30 0.00 -1.03 0.00 0.00 54.13 53.04 2bl5 s LEU 129 Cb 0.15 -3.46 -0.06 0.00 0.03 0.00 0.00 46.19 42.85 2bl5 s LEU 129 CO 0.76 -1.24 1.47 -0.75 0.23 0.00 0.00 176.35 176.81 2bl5 s LYS 130 N 4.38 4.26 -0.34 1.70 2.20 -1.26 -4.99 119.74 125.69 2bl5 s LYS 130 Ca 0.46 2.07 -0.14 0.00 -0.36 0.00 0.00 55.97 57.99 2bl5 s LYS 130 Cb -0.08 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.65 2bl5 s LYS 130 CO 0.31 -0.62 0.31 -1.12 -0.36 0.00 0.00 175.35 173.87 2bl5 s SER 131 N 2.01 6.13 0.21 1.43 0.01 -1.26 -4.99 113.70 117.24 2bl5 s SER 131 Ca 0.66 -0.28 -0.12 0.00 1.31 0.00 0.00 55.95 57.52 2bl5 s SER 131 Cb -0.34 -2.17 0.26 0.00 0.21 0.00 0.00 66.02 63.98 2bl5 s SER 131 CO 0.28 -0.29 1.66 -0.65 0.41 0.00 0.00 173.24 174.65 2bl5 h PRO 132 N 8.46 0.09 -0.19 12.44 0.11 -2.05 -1.93 132.00 148.94 2bl5 h PRO 132 Ca -0.30 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2bl5 h PRO 132 Cb 1.15 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2bl5 h PRO 132 CO 0.67 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.52 2bl5 n ALA 133 N -2.81 2.55 -0.87 -0.75 0.00 -1.26 -5.04 120.51 112.33 2bl5 n ALA 133 Ca 0.08 -1.97 0.00 0.00 0.00 0.00 0.00 53.44 51.55 2bl5 n ALA 133 Cb 0.33 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.48 0.00 0.00 0.00 4.77 -0.73 -5.31 117.00 115.25 2bl5 n LEU 134 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2bl5 n LEU 134 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2bl5 n LEU 134 CO 0.09 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.72