#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 2.13 -0.07 2.61 2.96 -0.34 -4.93 118.68 121.05 2bl5 s LEU 2 Ca 0.00 -0.51 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 2bl5 s LEU 2 Cb 0.00 -1.41 -0.00 0.00 0.50 0.00 0.00 46.19 45.28 2bl5 s LEU 2 CO 0.00 0.21 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.94 2bl5 s GLN 3 N 0.04 2.30 -0.16 1.98 -0.21 -1.26 -1.20 119.66 121.15 2bl5 s GLN 3 Ca -0.10 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.56 2bl5 s GLN 3 Cb -0.15 -1.88 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2bl5 s GLN 3 CO 0.06 0.22 -0.15 -1.21 -2.12 0.00 0.00 175.29 172.09 2bl5 s GLU 4 N 0.18 3.19 -0.27 2.91 2.02 -0.59 -4.97 118.70 121.17 2bl5 s GLU 4 Ca -0.10 -0.76 -0.06 0.00 0.02 0.00 0.00 54.97 54.08 2bl5 s GLU 4 Cb -0.15 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.45 2bl5 s GLU 4 CO 0.05 -0.03 0.04 0.15 0.02 0.00 0.00 175.26 175.49 2bl5 s LYS 5 N 0.92 3.21 -0.55 1.61 3.01 -1.26 -1.28 119.74 125.40 2bl5 s LYS 5 Ca -0.03 -0.77 -0.09 0.00 -1.01 0.00 0.00 55.97 54.07 2bl5 s LYS 5 Cb -0.15 -3.26 0.14 0.00 -1.01 0.00 0.00 37.83 33.55 2bl5 s LYS 5 CO -0.02 -0.35 0.43 -0.51 0.51 0.00 0.00 175.35 175.40 2bl5 s LEU 6 N 1.50 5.79 0.26 3.17 1.43 0.13 -4.95 118.68 126.01 2bl5 s LEU 6 Ca 0.04 -2.18 -0.29 0.00 -1.03 0.00 0.00 54.13 50.67 2bl5 s LEU 6 Cb -0.16 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 43.94 2bl5 s LEU 6 CO 0.01 -0.63 1.17 -0.31 0.23 0.00 0.00 176.35 176.82 2bl5 s TYR 7 N 0.97 3.42 -0.19 0.29 1.51 -1.26 -1.35 117.35 120.73 2bl5 s TYR 7 Ca 0.09 1.56 -0.04 0.00 -1.01 0.00 0.00 57.07 57.68 2bl5 s TYR 7 Cb -0.23 -3.41 0.06 0.00 -0.11 0.00 0.00 41.96 38.27 2bl5 s TYR 7 CO -0.02 -1.02 0.06 0.54 -1.11 0.00 0.00 175.55 174.00 2bl5 s VAL 8 N -0.84 0.31 -0.67 0.71 0.11 -1.05 -4.94 120.40 114.02 2bl5 s VAL 8 Ca 0.48 -0.46 -0.27 0.00 -2.93 0.00 0.00 61.98 58.80 2bl5 s VAL 8 Cb -0.34 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 2bl5 s VAL 8 CO 0.42 -0.27 1.61 -2.16 -3.33 0.00 0.00 175.10 171.37 2bl5 s PRO 9 N 1.95 2.87 0.49 1.54 0.04 -1.26 -4.44 135.00 136.20 2bl5 s PRO 9 Ca 0.01 0.23 0.28 0.00 0.04 0.00 0.00 61.00 61.56 2bl5 s PRO 9 Cb -0.17 -4.30 1.03 0.00 0.04 0.00 0.00 34.50 31.10 2bl5 s PRO 9 CO -0.10 -2.48 1.86 -0.24 0.04 0.00 0.00 177.00 176.08 2bl5 h VAL 10 N 6.51 0.24 -0.03 -0.36 3.04 -1.85 -0.67 116.25 123.13 2bl5 h VAL 10 Ca -0.27 -0.86 -0.07 0.00 -1.01 0.00 0.00 66.70 64.50 2bl5 h VAL 10 Cb 1.11 1.70 -0.01 0.00 -2.01 0.00 0.00 31.29 32.08 2bl5 h VAL 10 CO 1.25 0.10 -0.30 0.11 -1.01 0.00 0.00 177.57 177.72 2bl5 h LYS 11 N 0.00 0.06 0.14 4.17 1.57 -1.95 -1.72 116.57 118.85 2bl5 h LYS 11 Ca -0.00 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.47 2bl5 h LYS 11 Cb 0.69 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.01 2bl5 h LYS 11 CO 0.01 0.36 -1.27 0.93 -0.57 0.00 0.00 179.45 178.91 2bl5 h GLU 12 N 0.05 0.38 -2.17 3.15 4.39 -1.54 -3.38 114.58 115.46 2bl5 h GLU 12 Ca 0.01 -0.60 -0.60 0.00 0.34 0.00 0.00 59.36 58.51 2bl5 h GLU 12 Cb 0.56 0.22 -0.42 0.00 -0.10 0.00 0.00 28.75 29.01 2bl5 h GLU 12 CO 0.04 1.27 -0.64 0.66 -1.16 0.00 0.00 179.01 179.18 2bl5 n TYR 13 N -3.62 3.25 0.40 4.33 4.02 -0.64 -4.90 117.16 120.00 2bl5 n TYR 13 Ca -0.11 -4.10 0.11 0.00 -0.01 0.00 0.00 57.90 53.80 2bl5 n TYR 13 Cb 1.02 -0.54 0.48 0.00 -0.02 0.00 0.00 39.34 40.28 2bl5 n TYR 13 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 2bl5 n PRO 14 N 0.90 0.18 -0.15 -0.72 -0.02 -0.66 -1.39 135.00 133.14 2bl5 n PRO 14 Ca 0.29 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.27 2bl5 n PRO 14 Cb 0.42 -1.84 0.16 0.00 -0.02 0.00 0.00 33.50 32.22 2bl5 n PRO 14 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2bl5 n ASP 15 N -2.17 2.99 -4.17 2.55 8.00 -1.26 -4.79 116.55 117.70 2bl5 n ASP 15 Ca 0.02 -1.87 -0.35 0.00 0.71 0.00 0.00 54.79 53.30 2bl5 n ASP 15 Cb 0.22 -0.20 -0.13 0.00 -0.02 0.00 0.00 41.12 40.99 2bl5 n ASP 15 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2bl5 s PHE 16 N -1.21 3.30 -1.06 1.24 5.36 -0.48 -5.05 117.98 120.08 2bl5 s PHE 16 Ca 0.29 -1.93 -0.22 0.00 -0.96 0.00 0.00 56.93 54.11 2bl5 s PHE 16 Cb 0.17 -2.22 0.06 0.00 -0.34 0.00 0.00 43.02 40.69 2bl5 s PHE 16 CO 0.23 -0.82 1.48 0.54 -1.46 0.00 0.00 175.22 175.19 2bl5 s ASN 17 N 1.30 6.57 0.45 6.13 6.03 -1.26 -4.79 114.94 129.37 2bl5 s ASN 17 Ca -0.04 -1.67 0.11 0.00 -1.03 0.00 0.00 52.86 50.24 2bl5 s ASN 17 Cb -0.20 -2.56 1.02 0.00 -3.03 0.00 0.00 41.25 36.48 2bl5 s ASN 17 CO -0.01 -1.42 2.08 -0.26 -2.03 0.00 0.00 177.10 175.46 2bl5 h PHE 18 N 9.35 0.32 0.14 1.54 0.04 -1.96 0.61 116.94 126.98 2bl5 h PHE 18 Ca 0.24 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 61.01 2bl5 h PHE 18 Cb 0.99 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.03 2bl5 h PHE 18 CO 1.30 0.20 -0.07 0.28 -0.60 0.00 0.00 178.31 179.42 2bl5 h VAL 19 N 0.34 0.95 0.00 -0.55 2.07 -1.91 0.97 116.25 118.13 2bl5 h VAL 19 Ca 0.11 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2bl5 h VAL 19 Cb 0.02 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2bl5 h VAL 19 CO -0.02 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.27 2bl5 n GLY 20 N -0.65 -1.11 0.13 2.17 0.00 -0.57 0.29 105.19 105.43 2bl5 n GLY 20 Ca -0.09 0.04 -0.18 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 -1.93 0.68 -0.08 1.61 3.00 0.20 -3.46 116.66 116.69 2bl5 n ARG 21 Ca 0.02 0.16 -0.08 0.00 -0.00 0.00 0.00 57.85 57.95 2bl5 n ARG 21 Cb 0.19 -1.57 -0.04 0.00 0.00 0.00 0.00 32.46 31.03 2bl5 n ARG 21 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2bl5 h ILE 22 N 0.02 0.24 -0.02 5.15 2.04 0.11 -3.41 117.51 121.64 2bl5 h ILE 22 Ca -0.53 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.03 2bl5 h ILE 22 Cb 1.97 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 2bl5 h ILE 22 CO -0.03 0.08 -0.09 0.00 0.00 0.00 0.00 178.15 178.11 2bl5 n LEU 23 N -4.59 2.21 0.00 1.44 -0.00 -0.20 -3.96 117.00 111.91 2bl5 n LEU 23 Ca -0.12 -0.94 0.00 0.00 -0.00 0.00 0.00 56.01 54.95 2bl5 n LEU 23 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 2bl5 n LEU 23 CO 0.12 0.40 0.22 0.61 -0.00 0.00 0.00 177.39 178.74 2bl5 n GLY 24 N 1.02 -3.02 0.07 1.47 0.00 0.14 -0.94 105.19 103.94 2bl5 n GLY 24 Ca 0.09 0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.50 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 -0.60 0.29 -0.42 1.61 -0.04 -1.25 -4.22 135.00 130.36 2bl5 n PRO 25 Ca 0.00 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.63 2bl5 n PRO 25 Cb 0.00 -1.71 0.19 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.15 1.62 0.08 0.54 1.74 -1.25 -4.67 116.66 112.57 2bl5 n ARG 26 Ca 0.04 -2.99 0.19 0.00 -0.77 0.00 0.00 57.85 54.31 2bl5 n ARG 26 Cb 0.44 -1.62 0.73 0.00 -1.02 0.00 0.00 32.46 30.99 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 0.70 0.00 0.98 -0.13 0.00 -1.16 0.95 103.07 104.40 2bl5 h GLY 27 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.50 2bl5 h GLY 27 CO 0.07 0.00 0.37 1.41 0.00 0.00 0.00 176.54 178.39 2bl5 h LEU 28 N 0.00 0.06 -0.54 3.11 3.38 -1.84 -1.72 115.31 117.77 2bl5 h LEU 28 Ca 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 2bl5 h LEU 28 Cb 0.84 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2bl5 h LEU 28 CO -0.00 0.03 -0.13 0.00 0.09 0.00 0.00 178.44 178.43 2bl5 h THR 29 N 0.07 1.27 -0.40 0.22 1.03 -1.15 -0.02 112.91 113.92 2bl5 h THR 29 Ca 0.25 -1.30 -0.06 0.00 -0.01 0.00 0.00 66.41 65.30 2bl5 h THR 29 Cb 0.91 0.99 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 2bl5 h THR 29 CO -0.02 0.46 -0.00 0.00 -0.01 0.00 0.00 175.52 175.95 2bl5 h ALA 30 N 0.92 1.25 -0.59 0.00 0.00 -1.44 -0.08 119.26 119.32 2bl5 h ALA 30 Ca 0.14 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2bl5 h ALA 30 Cb 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2bl5 h ALA 30 CO 0.05 0.50 0.06 -0.22 0.00 0.00 0.00 179.25 179.65 2bl5 h LYS 31 N 0.61 0.97 -0.16 0.00 3.64 -1.17 -2.68 116.57 117.78 2bl5 h LYS 31 Ca 0.13 -0.26 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 2bl5 h LYS 31 Cb 0.39 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2bl5 h LYS 31 CO 0.01 0.92 -0.59 1.96 -2.27 0.00 0.00 179.45 179.49 2bl5 h GLN 32 N 0.91 0.52 -0.49 1.90 1.08 0.06 -2.60 115.11 116.48 2bl5 h GLN 32 Ca 0.18 -0.34 -0.06 0.00 -1.45 0.00 0.00 58.65 56.98 2bl5 h GLN 32 Cb 0.45 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 2bl5 h GLN 32 CO 0.02 0.95 0.09 -0.07 -0.95 0.00 0.00 178.83 178.87 2bl5 h LEU 33 N 0.39 0.78 -0.52 1.46 3.38 -0.86 0.21 115.31 120.15 2bl5 h LEU 33 Ca -0.00 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.56 2bl5 h LEU 33 Cb 1.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2bl5 h LEU 33 CO 0.11 0.83 -0.47 1.05 0.09 0.00 0.00 178.44 180.05 2bl5 h GLU 34 N 0.69 0.67 -0.49 1.13 4.11 -1.14 0.53 114.58 120.09 2bl5 h GLU 34 Ca 0.15 -0.38 -0.07 0.00 0.07 0.00 0.00 59.36 59.13 2bl5 h GLU 34 Cb 0.38 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2bl5 h GLU 34 CO 0.01 1.00 0.03 0.00 0.07 0.00 0.00 179.01 180.11 2bl5 h ALA 35 N 0.94 0.66 0.00 1.06 0.00 -1.20 -2.54 119.26 118.18 2bl5 h ALA 35 Ca 0.03 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 2bl5 h ALA 35 Cb 1.01 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2bl5 h ALA 35 CO 0.10 0.44 -1.08 0.93 0.00 0.00 0.00 179.25 179.63 2bl5 h GLU 36 N 0.71 0.00 0.00 0.00 4.39 -0.45 -3.39 114.58 115.84 2bl5 h GLU 36 Ca 0.14 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.82 2bl5 h GLU 36 Cb 0.47 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.12 2bl5 h GLU 36 CO 0.02 0.80 -0.13 1.79 -1.16 0.00 0.00 179.01 180.33 2bl5 h THR 37 N -1.00 0.24 0.00 1.13 1.35 -0.09 -3.46 112.91 111.08 2bl5 h THR 37 Ca -0.27 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 2bl5 h THR 37 Cb 1.13 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.51 2bl5 h THR 37 CO -0.17 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 175.84 2bl5 n GLY 38 N 0.79 1.21 3.52 5.82 0.00 -0.96 -4.75 105.19 110.82 2bl5 n GLY 38 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 1.69 3.36 -0.41 0.00 2.20 0.20 -2.39 119.74 124.39 2bl5 s LYS 40 Ca 0.06 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.74 2bl5 s LYS 40 Cb -0.16 -4.68 0.02 0.00 -1.51 0.00 0.00 37.83 31.50 2bl5 s LYS 40 CO 0.08 -2.16 1.15 -1.50 -0.36 0.00 0.00 175.35 172.57 2bl5 s ILE 41 N 5.33 4.27 -0.13 5.43 2.07 -1.26 -2.19 121.20 134.72 2bl5 s ILE 41 Ca 0.39 1.36 -0.02 0.00 -1.41 0.00 0.00 60.65 60.98 2bl5 s ILE 41 Cb -0.05 -4.49 -0.03 0.00 0.13 0.00 0.00 42.46 38.03 2bl5 s ILE 41 CO 0.04 -0.80 -0.06 0.00 -1.91 0.00 0.00 174.94 172.22 2bl5 s MET 42 N 4.23 3.36 -0.41 3.50 0.23 0.14 -4.89 119.30 125.46 2bl5 s MET 42 Ca 0.49 -0.55 -0.27 0.00 -1.03 0.00 0.00 55.69 54.33 2bl5 s MET 42 Cb -0.10 -2.78 0.02 0.00 -1.53 0.00 0.00 34.83 30.44 2bl5 s MET 42 CO 0.26 0.37 1.02 0.08 -2.03 0.00 0.00 175.02 174.72 2bl5 s VAL 43 N 0.00 4.42 0.13 5.16 1.01 -1.26 -1.01 120.40 128.86 2bl5 s VAL 43 Ca -0.00 1.22 0.02 0.00 0.00 0.00 0.00 61.98 63.22 2bl5 s VAL 43 Cb -0.13 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.75 2bl5 s VAL 43 CO 0.03 -0.74 0.26 -0.13 0.00 0.00 0.00 175.10 174.52 2bl5 s ARG 44 N 3.88 3.42 0.00 2.72 0.52 0.86 -4.40 118.95 125.95 2bl5 s ARG 44 Ca 0.42 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 2bl5 s ARG 44 Cb -0.10 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.40 2bl5 s ARG 44 CO 0.24 0.54 0.00 0.41 0.02 0.00 0.00 175.30 176.51 2bl5 n GLY 45 N -0.37 -0.37 3.63 -3.53 0.00 -0.05 0.75 105.19 105.25 2bl5 n GLY 45 Ca -0.07 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 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 0.00 3.88 0.00 1.61 -2.85 -1.08 -3.62 119.74 117.67 2bl5 s LYS 46 Ca 0.00 1.15 0.00 0.00 -1.00 0.00 0.00 55.97 56.12 2bl5 s LYS 46 Cb 0.00 -3.88 0.00 0.00 -2.06 0.00 0.00 37.83 31.89 2bl5 s LYS 46 CO 0.00 -1.17 0.00 0.41 0.10 0.00 0.00 175.35 174.69 2bl5 n GLY 47 N 4.39 1.60 0.36 0.59 0.00 -1.26 -4.76 105.19 106.12 2bl5 n GLY 47 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.75 -0.26 1.61 0.87 -1.77 -3.35 113.55 109.90 2bl5 h SER 48 Ca 0.00 0.03 -0.21 0.00 -1.23 0.00 0.00 61.79 60.37 2bl5 h SER 48 Cb 0.00 0.19 -0.22 0.00 -0.44 0.00 0.00 62.40 61.94 2bl5 h SER 48 CO 0.00 -0.41 -0.73 0.23 -0.53 0.00 0.00 176.83 175.39 2bl5 n MET 49 N -5.09 1.99 0.00 2.24 2.81 -1.26 -4.92 117.12 112.89 2bl5 n MET 49 Ca -0.11 -3.41 0.00 0.00 -1.81 0.00 0.00 57.70 52.37 2bl5 n MET 49 Cb 0.35 -1.59 0.00 0.00 -0.71 0.00 0.00 33.22 31.27 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 -0.73 0.03 -2.62 0.03 5.12 -1.26 -4.62 116.66 112.61 2bl5 n ARG 50 Ca 0.24 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.76 2bl5 n ARG 50 Cb 0.85 -1.31 -0.05 0.00 -1.16 0.00 0.00 32.46 30.79 2bl5 n ARG 50 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2bl5 s ASP 51 N 0.25 7.39 0.45 0.55 -1.08 -1.26 -4.94 116.67 118.03 2bl5 s ASP 51 Ca 0.00 2.08 0.13 0.00 -0.52 0.00 0.00 52.55 54.24 2bl5 s ASP 51 Cb 0.00 -2.61 0.99 0.00 -1.46 0.00 0.00 42.92 39.84 2bl5 s ASP 51 CO 0.00 -0.04 2.02 0.11 0.52 0.00 0.00 175.17 177.78 2bl5 h LYS 52 N 3.78 0.12 -0.42 4.34 1.79 -2.01 -0.46 116.57 123.72 2bl5 h LYS 52 Ca -0.46 -0.02 -0.13 0.00 -2.18 0.00 0.00 60.65 57.86 2bl5 h LYS 52 Cb 1.21 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.82 2bl5 h LYS 52 CO 0.67 0.21 -0.27 1.57 -1.08 0.00 0.00 179.45 180.55 2bl5 h LYS 53 N 0.12 0.90 -0.76 3.15 2.10 -1.93 -2.86 116.57 117.29 2bl5 h LYS 53 Ca 0.03 -0.40 0.01 0.00 -2.00 0.00 0.00 60.65 58.29 2bl5 h LYS 53 Cb 0.21 -0.02 -0.04 0.00 -0.90 0.00 0.00 32.23 31.48 2bl5 h LYS 53 CO 0.01 1.05 0.50 0.87 -2.00 0.00 0.00 179.45 179.88 2bl5 h LYS 54 N 0.77 0.98 0.00 0.07 6.56 -1.35 -0.04 116.57 123.56 2bl5 h LYS 54 Ca 0.09 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.62 2bl5 h LYS 54 Cb 0.83 -0.22 -0.00 0.00 -0.57 0.00 0.00 32.23 32.26 2bl5 h LYS 54 CO 0.07 0.65 -0.03 1.05 -2.06 0.00 0.00 179.45 179.13 2bl5 h GLU 55 N 1.01 0.00 0.42 3.15 4.11 -1.38 0.69 114.58 122.59 2bl5 h GLU 55 Ca 0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.69 2bl5 h GLU 55 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2bl5 h GLU 55 CO -0.07 0.03 -0.20 0.93 0.07 0.00 0.00 179.01 179.77 2bl5 h GLU 56 N 0.00 -0.55 0.00 1.06 4.39 -0.78 -3.35 114.58 115.36 2bl5 h GLU 56 Ca -0.00 0.04 -0.29 0.00 0.34 0.00 0.00 59.36 59.45 2bl5 h GLU 56 Cb 0.33 0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 29.05 2bl5 h GLU 56 CO 0.00 -0.36 -2.09 0.00 -1.16 0.00 0.00 179.01 175.40 2bl5 n GLN 57 N -4.41 0.76 -0.08 2.33 0.00 -1.02 -4.42 117.38 110.54 2bl5 n GLN 57 Ca -0.07 0.08 0.07 0.00 0.00 0.00 0.00 57.00 57.09 2bl5 n GLN 57 Cb 0.22 -1.39 0.29 0.00 0.00 0.00 0.00 30.24 29.37 2bl5 n GLN 57 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2bl5 n ASN 58 N -2.94 1.19 -4.57 2.61 5.15 0.21 -4.91 115.26 112.01 2bl5 n ASN 58 Ca -0.32 -1.78 -0.43 0.00 -0.60 0.00 0.00 54.58 51.45 2bl5 n ASN 58 Cb 0.90 -0.11 -0.00 0.00 -0.53 0.00 0.00 39.78 40.04 2bl5 n ASN 58 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2bl5 n ARG 59 N 0.06 1.17 -0.18 1.20 1.85 0.72 -2.07 116.66 119.41 2bl5 n ARG 59 Ca 0.12 0.41 0.00 0.00 -1.00 0.00 0.00 57.85 57.39 2bl5 n ARG 59 Cb 0.23 -1.81 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 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 1.33 2.45 3.93 2.89 0.00 -1.26 -5.01 105.19 109.52 2bl5 n GLY 60 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.06 2.58 0.20 1.61 3.01 -0.88 -4.59 119.74 121.60 2bl5 s LYS 61 Ca 0.00 -0.23 0.17 0.00 -1.01 0.00 0.00 55.97 54.90 2bl5 s LYS 61 Cb 0.00 -2.27 0.62 0.00 -1.01 0.00 0.00 37.83 35.17 2bl5 s LYS 61 CO 0.00 -0.90 0.59 -2.30 0.51 0.00 0.00 175.35 173.25 2bl5 n PRO 62 N -2.67 -0.00 -0.19 -1.68 -0.02 -1.26 0.79 135.00 129.97 2bl5 n PRO 62 Ca 0.06 0.43 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 2bl5 n PRO 62 Cb 0.59 -0.94 0.01 0.00 -0.02 0.00 0.00 33.50 33.15 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 0.84 0.73 2.55 -0.00 -1.91 -1.20 115.58 116.60 2bl5 h ASN 63 Ca 0.35 -0.25 0.00 0.00 -0.00 0.00 0.00 56.30 56.40 2bl5 h ASN 63 Cb 1.31 -0.22 0.00 0.00 -0.00 0.00 0.00 38.32 39.41 2bl5 h ASN 63 CO -0.06 0.88 -0.98 0.79 -0.00 0.00 0.00 177.43 178.06 2bl5 n TRP 64 N -4.38 0.59 -0.04 4.14 7.02 0.24 -1.83 117.44 123.18 2bl5 n TRP 64 Ca 0.02 0.17 -0.09 0.00 -1.02 0.00 0.00 57.50 56.58 2bl5 n TRP 64 Cb 0.25 -0.70 -0.03 0.00 -2.42 0.00 0.00 31.31 28.42 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 0.07 -0.08 -0.99 4.81 -0.56 -2.82 114.58 115.02 2bl5 h GLU 65 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2bl5 h GLU 65 Cb 0.85 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2bl5 h GLU 65 CO 0.00 0.05 0.00 -2.39 -0.73 0.00 0.00 179.01 175.94 2bl5 n HIS 66 N -5.12 0.07 0.26 0.92 1.44 -0.50 -4.32 115.22 107.97 2bl5 n HIS 66 Ca -0.03 -0.04 0.11 0.00 -2.01 0.00 0.00 57.72 55.76 2bl5 n HIS 66 Cb 0.10 0.00 0.74 0.00 0.12 0.00 0.00 29.99 30.95 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 4.54 0.00 -0.66 2.39 5.85 -1.09 0.28 115.31 126.63 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 0.97 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2bl5 h LEU 67 CO 0.00 0.00 -0.02 -0.46 -0.34 0.00 0.00 178.44 177.62 2bl5 n ASN 68 N -4.27 1.04 -4.94 1.25 0.23 -1.25 -2.96 115.26 104.36 2bl5 n ASN 68 Ca -0.03 -1.28 -0.21 0.00 -0.53 0.00 0.00 54.58 52.54 2bl5 n ASN 68 Cb 0.11 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 37.86 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 -2.06 2.44 0.13 -3.83 2.02 -0.38 -5.00 118.70 112.02 2bl5 s GLU 69 Ca 0.39 -0.93 -0.14 0.00 0.02 0.00 0.00 54.97 54.31 2bl5 s GLU 69 Cb 0.21 -2.51 -0.07 0.00 0.10 0.00 0.00 34.13 31.87 2bl5 s GLU 69 CO 0.36 -0.77 0.53 0.34 0.02 0.00 0.00 175.26 175.74 2bl5 s ASP 70 N -4.47 6.82 -0.18 -0.19 2.15 -1.26 -2.65 116.67 116.89 2bl5 s ASP 70 Ca 0.59 1.06 -0.36 0.00 0.43 0.00 0.00 52.55 54.27 2bl5 s ASP 70 Cb -0.09 -2.28 -0.12 0.00 -0.30 0.00 0.00 42.92 40.12 2bl5 s ASP 70 CO 0.39 0.13 1.90 -0.11 -0.17 0.00 0.00 175.17 177.30 2bl5 n LEU 71 N 0.90 2.99 -3.95 -1.34 7.94 -1.25 -4.13 117.00 118.15 2bl5 n LEU 71 Ca -0.06 0.90 -0.10 0.00 -1.11 0.00 0.00 56.01 55.65 2bl5 n LEU 71 Cb 0.52 -1.30 -0.07 0.00 0.53 0.00 0.00 43.42 43.10 2bl5 n LEU 71 CO 0.42 -0.26 0.02 -1.38 -1.11 0.00 0.00 177.39 175.08 2bl5 s HIS 72 N 4.52 0.38 -0.19 1.96 -3.43 0.23 -2.53 115.29 116.23 2bl5 s HIS 72 Ca 0.97 -0.74 -0.07 0.00 -0.80 0.00 0.00 55.06 54.42 2bl5 s HIS 72 Cb -0.80 -0.01 -0.04 0.00 -1.43 0.00 0.00 32.58 30.29 2bl5 s HIS 72 CO 0.55 -0.76 0.05 0.14 -2.00 0.00 0.00 174.74 172.72 2bl5 s VAL 73 N -3.97 4.56 -0.19 -5.38 -7.23 -0.46 -0.10 120.40 107.63 2bl5 s VAL 73 Ca 0.18 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 2bl5 s VAL 73 Cb 0.03 -3.06 0.04 0.00 0.56 0.00 0.00 36.38 33.95 2bl5 s VAL 73 CO 0.01 0.44 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.94 2bl5 s LEU 74 N 0.60 2.00 -0.44 1.32 0.20 -0.18 0.18 118.68 122.38 2bl5 s LEU 74 Ca 0.02 -0.81 -0.26 0.00 0.69 0.00 0.00 54.13 53.77 2bl5 s LEU 74 Cb -0.13 -1.09 0.02 0.00 -0.43 0.00 0.00 46.19 44.56 2bl5 s LEU 74 CO 0.02 -0.17 0.96 0.27 -0.29 0.00 0.00 176.35 177.13 2bl5 s ILE 75 N 1.50 4.47 -0.44 6.68 -4.36 -0.40 0.23 121.20 128.88 2bl5 s ILE 75 Ca -0.01 0.94 -0.13 0.00 -0.26 0.00 0.00 60.65 61.20 2bl5 s ILE 75 Cb -0.16 -4.43 0.07 0.00 1.25 0.00 0.00 42.46 39.19 2bl5 s ILE 75 CO -0.08 -0.77 0.33 -0.89 0.24 0.00 0.00 174.94 173.76 2bl5 s THR 76 N 3.77 4.83 -0.17 8.37 2.01 -0.93 -1.54 115.64 131.98 2bl5 s THR 76 Ca 0.39 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 61.26 2bl5 s THR 76 Cb -0.10 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.53 2bl5 s THR 76 CO 0.25 -0.50 -0.16 0.54 -0.69 0.00 0.00 174.62 174.06 2bl5 s VAL 77 N 1.56 2.52 -0.95 3.82 0.11 -0.34 -0.63 120.40 126.50 2bl5 s VAL 77 Ca 0.04 -0.80 -0.19 0.00 -2.93 0.00 0.00 61.98 58.09 2bl5 s VAL 77 Cb -0.23 -2.08 0.12 0.00 -1.53 0.00 0.00 36.38 32.66 2bl5 s VAL 77 CO 0.05 0.51 1.18 -1.61 -3.33 0.00 0.00 175.10 171.90 2bl5 s GLU 78 N 1.08 3.60 0.00 1.54 2.02 -1.26 -1.20 118.70 124.48 2bl5 s GLU 78 Ca -0.00 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.31 2bl5 s GLU 78 Cb -0.14 -4.99 0.00 0.00 0.10 0.00 0.00 34.13 29.10 2bl5 s GLU 78 CO -0.05 -1.84 0.00 -3.47 0.02 0.00 0.00 175.26 169.92 2bl5 n ASP 79 N 6.90 0.00 -0.37 -0.19 -0.08 -1.26 -5.00 116.55 116.55 2bl5 n ASP 79 Ca 0.26 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.65 2bl5 n ASP 79 Cb 0.49 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.97 2bl5 n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bl5 n ALA 80 N -0.73 3.75 -1.68 -1.67 0.00 -1.26 -4.37 120.51 114.55 2bl5 n ALA 80 Ca 0.00 -0.61 -0.45 0.00 0.00 0.00 0.00 53.44 52.38 2bl5 n ALA 80 Cb 0.00 -0.82 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 2bl5 n ALA 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bl5 n GLN 81 N -0.38 2.50 0.17 0.00 1.13 -1.26 -4.87 117.38 114.66 2bl5 n GLN 81 Ca 0.08 0.91 0.02 0.00 -1.94 0.00 0.00 57.00 56.08 2bl5 n GLN 81 Cb 0.43 -2.78 0.29 0.00 0.11 0.00 0.00 30.24 28.28 2bl5 n GLN 81 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2bl5 h ASN 82 N 8.80 0.00 -0.51 1.08 -0.73 -2.00 -2.08 115.58 120.15 2bl5 h ASN 82 Ca -0.48 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 57.67 2bl5 h ASN 82 Cb 1.25 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.81 2bl5 h ASN 82 CO 0.94 0.47 0.25 0.08 -0.37 0.00 0.00 177.43 178.80 2bl5 h ARG 83 N 0.00 0.77 0.72 6.67 0.11 -1.99 0.05 114.38 120.71 2bl5 h ARG 83 Ca -0.00 -0.10 -0.04 0.00 0.10 0.00 0.00 59.98 59.94 2bl5 h ARG 83 Cb 0.90 -0.15 0.01 0.00 1.11 0.00 0.00 29.97 31.84 2bl5 h ARG 83 CO 0.06 0.61 -0.35 0.00 0.10 0.00 0.00 179.97 180.39 2bl5 h ALA 84 N 1.51 -1.21 -0.38 0.08 0.00 -1.74 -2.63 119.26 114.89 2bl5 h ALA 84 Ca 0.19 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2bl5 h ALA 84 Cb 0.10 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2bl5 h ALA 84 CO -0.02 -1.14 0.26 1.05 0.00 0.00 0.00 179.25 179.40 2bl5 h GLU 85 N -1.01 0.26 -0.82 0.00 4.11 -1.34 0.25 114.58 116.04 2bl5 h GLU 85 Ca -0.10 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 2bl5 h GLU 85 Cb 0.74 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2bl5 h GLU 85 CO 0.16 0.17 0.49 1.25 0.07 0.00 0.00 179.01 181.16 2bl5 h LEU 86 N 0.27 0.97 -0.22 3.06 7.12 -0.91 0.17 115.31 125.77 2bl5 h LEU 86 Ca 0.17 -0.05 -0.11 0.00 0.13 0.00 0.00 57.88 58.02 2bl5 h LEU 86 Cb 0.33 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.21 2bl5 h LEU 86 CO -0.03 0.75 -0.28 0.50 -0.13 0.00 0.00 178.44 179.24 2bl5 h LYS 87 N 1.12 0.58 -0.15 1.25 3.64 -0.12 -2.59 116.57 120.30 2bl5 h LYS 87 Ca 0.29 -0.33 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 2bl5 h LYS 87 Cb -0.05 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2bl5 h LYS 87 CO -0.06 0.93 -0.53 1.37 -2.27 0.00 0.00 179.45 178.89 2bl5 h LEU 88 N 0.26 0.47 -0.86 5.20 -0.00 -1.27 -2.88 115.31 116.24 2bl5 h LEU 88 Ca 0.03 -0.25 -0.10 0.00 -0.00 0.00 0.00 57.88 57.56 2bl5 h LEU 88 Cb 0.85 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.36 2bl5 h LEU 88 CO 0.07 0.91 -0.28 0.07 -0.00 0.00 0.00 178.44 179.21 2bl5 h LYS 89 N 0.33 0.53 -0.24 0.17 5.09 -0.63 0.35 116.57 122.17 2bl5 h LYS 89 Ca 0.01 -0.21 -0.15 0.00 0.09 0.00 0.00 60.65 60.38 2bl5 h LYS 89 Cb 1.04 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 33.34 2bl5 h LYS 89 CO 0.09 0.76 -0.48 0.07 -2.09 0.00 0.00 179.45 177.80 2bl5 h ARG 90 N 0.46 0.63 -0.27 0.07 0.11 -1.45 0.13 114.38 114.06 2bl5 h ARG 90 Ca 0.06 -0.36 -0.14 0.00 0.10 0.00 0.00 59.98 59.64 2bl5 h ARG 90 Cb 0.72 0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 2bl5 h ARG 90 CO 0.06 0.97 -0.36 0.00 0.10 0.00 0.00 179.97 180.73 2bl5 h ALA 91 N 0.97 0.41 -0.06 0.08 0.00 -1.25 -2.95 119.26 116.45 2bl5 h ALA 91 Ca 0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2bl5 h ALA 91 Cb 1.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2bl5 h ALA 91 CO 0.10 0.49 -0.55 -0.24 0.00 0.00 0.00 179.25 179.05 2bl5 h VAL 92 N 0.47 1.37 -0.04 0.00 3.04 -0.24 -2.54 116.25 118.31 2bl5 h VAL 92 Ca 0.03 -1.85 -0.10 0.00 -1.01 0.00 0.00 66.70 63.77 2bl5 h VAL 92 Cb 0.95 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 32.15 2bl5 h VAL 92 CO 0.09 0.54 -0.43 1.05 -1.01 0.00 0.00 177.57 177.81 2bl5 h GLU 93 N 0.14 0.09 -0.86 4.17 4.11 -1.00 0.51 114.58 121.74 2bl5 h GLU 93 Ca 0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.41 2bl5 h GLU 93 Cb 1.01 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.21 2bl5 h GLU 93 CO 0.08 0.51 0.56 0.93 0.07 0.00 0.00 179.01 181.17 2bl5 h GLU 94 N 0.08 1.08 -0.49 1.06 5.08 -1.28 0.71 114.58 120.82 2bl5 h GLU 94 Ca 0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 2bl5 h GLU 94 Cb 0.80 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2bl5 h GLU 94 CO 0.06 0.72 0.05 0.28 -1.00 0.00 0.00 179.01 179.12 2bl5 h VAL 95 N 1.12 1.23 -0.60 3.13 2.07 -0.74 -2.19 116.25 120.27 2bl5 h VAL 95 Ca 0.33 -0.91 0.17 0.00 0.82 0.00 0.00 66.70 67.11 2bl5 h VAL 95 Cb -0.06 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2bl5 h VAL 95 CO -0.08 0.33 0.43 0.11 0.02 0.00 0.00 177.57 178.38 2bl5 h LYS 96 N 0.74 0.00 0.07 1.57 1.57 0.22 0.61 116.57 121.36 2bl5 h LYS 96 Ca 0.15 -0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.66 2bl5 h LYS 96 Cb 0.38 -0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.71 2bl5 h LYS 96 CO 0.01 0.00 -1.10 -0.22 -0.57 0.00 0.00 179.45 177.57 2bl5 h LYS 97 N 0.01 0.62 0.00 3.15 3.11 -0.53 -3.34 116.57 119.58 2bl5 h LYS 97 Ca 0.29 -0.76 -0.18 0.00 -2.81 0.00 0.00 60.65 57.18 2bl5 h LYS 97 Cb 1.14 0.24 -0.03 0.00 -1.00 0.00 0.00 32.23 32.59 2bl5 h LYS 97 CO -0.00 1.33 -0.99 1.37 -2.81 0.00 0.00 179.45 178.34 2bl5 h LEU 98 N 0.24 0.00 -0.79 5.20 8.10 -0.77 -3.29 115.31 124.01 2bl5 h LEU 98 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.83 2bl5 h LEU 98 Cb 1.78 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.00 2bl5 h LEU 98 CO 0.21 0.80 0.00 0.00 -4.11 0.00 0.00 178.44 175.34 2bl5 n LEU 99 N -3.22 0.46 -4.79 0.17 -0.00 0.20 -4.71 117.00 105.12 2bl5 n LEU 99 Ca -0.03 -0.23 -0.37 0.00 -0.00 0.00 0.00 56.01 55.38 2bl5 n LEU 99 Cb 0.88 -0.23 -0.06 0.00 -0.00 0.00 0.00 43.42 44.00 2bl5 n LEU 99 CO 0.44 0.12 0.01 -0.69 -0.00 0.00 0.00 177.39 177.27 2bl5 s VAL 100 N -1.21 5.24 0.63 1.47 1.01 -1.24 -4.97 120.40 121.33 2bl5 s VAL 100 Ca 0.00 0.61 0.31 0.00 0.00 0.00 0.00 61.98 62.90 2bl5 s VAL 100 Cb 0.00 -3.63 0.35 0.00 0.00 0.00 0.00 36.38 33.10 2bl5 s VAL 100 CO 0.00 0.49 2.01 1.55 0.00 0.00 0.00 175.10 179.15 2bl5 h PRO 101 N 5.71 0.00 0.00 2.72 0.13 -1.94 -3.47 132.00 135.16 2bl5 h PRO 101 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2bl5 h PRO 101 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bl5 h PRO 101 CO 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 2bl5 n ALA 102 N -2.11 0.00 -2.07 -0.56 0.00 -1.26 -4.90 120.51 109.60 2bl5 n ALA 102 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 2bl5 n ALA 102 Cb 0.39 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 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 1.55 -0.43 0.13 0.00 0.00 -1.26 -4.88 120.51 115.61 2bl5 n ALA 103 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.38 2bl5 n ALA 103 Cb 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 19.45 17.44 2bl5 n ALA 103 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2bl5 h GLU 104 N 0.00 0.55 -1.69 0.00 4.81 -2.01 -3.48 114.58 112.75 2bl5 h GLU 104 Ca -0.39 -0.88 0.00 0.00 -0.13 0.00 0.00 59.36 57.96 2bl5 h GLU 104 Cb 1.24 0.32 0.00 0.00 0.63 0.00 0.00 28.75 30.94 2bl5 h GLU 104 CO 0.49 1.42 0.00 0.41 -0.73 0.00 0.00 179.01 180.59 2bl5 n GLY 105 N 1.62 0.52 0.07 1.92 0.00 -1.26 -4.99 105.19 103.08 2bl5 n GLY 105 Ca -0.16 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.37 2bl5 n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bl5 h GLU 106 N 0.00 -0.04 0.00 1.61 5.08 -2.01 -2.39 114.58 116.83 2bl5 h GLU 106 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2bl5 h GLU 106 Cb 0.79 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2bl5 h GLU 106 CO 0.00 -0.03 -0.10 0.38 -1.00 0.00 0.00 179.01 178.26 2bl5 h ASP 107 N -0.05 0.00 1.25 1.42 2.03 -2.04 -2.84 116.42 116.19 2bl5 h ASP 107 Ca 0.01 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.26 2bl5 h ASP 107 Cb 0.06 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.56 2bl5 h ASP 107 CO -0.03 0.10 -0.24 0.28 -1.03 0.00 0.00 179.24 178.31 2bl5 h SER 108 N 0.00 0.00 0.27 4.15 0.02 -1.82 -3.15 113.55 113.01 2bl5 h SER 108 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bl5 h SER 108 Cb 0.70 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2bl5 h SER 108 CO 0.01 0.24 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.64 2bl5 h LEU 109 N 0.00 -0.61 0.11 5.07 3.38 -1.24 0.15 115.31 122.17 2bl5 h LEU 109 Ca -0.00 0.05 -0.31 0.00 0.09 0.00 0.00 57.88 57.71 2bl5 h LEU 109 Cb 0.93 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2bl5 h LEU 109 CO 0.03 -0.35 -1.57 0.11 0.09 0.00 0.00 178.44 176.75 2bl5 h LYS 110 N -0.52 0.24 -0.59 1.13 1.57 -1.77 -3.13 116.57 113.50 2bl5 h LYS 110 Ca -0.01 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 2bl5 h LYS 110 Cb 0.47 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2bl5 h LYS 110 CO -0.03 1.10 0.17 0.87 -0.57 0.00 0.00 179.45 180.98 2bl5 h LYS 111 N 0.07 0.89 0.00 3.15 1.57 -1.50 -0.64 116.57 120.12 2bl5 h LYS 111 Ca -0.26 -0.18 -0.19 0.00 -1.87 0.00 0.00 60.65 58.16 2bl5 h LYS 111 Cb 2.02 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 34.17 2bl5 h LYS 111 CO 0.15 0.78 -0.85 0.52 -0.57 0.00 0.00 179.45 179.49 2bl5 h MET 112 N 0.86 0.10 -0.14 3.15 2.86 -0.83 0.14 114.93 121.07 2bl5 h MET 112 Ca 0.19 -0.11 -0.18 0.00 -2.06 0.00 0.00 59.70 57.54 2bl5 h MET 112 Cb 0.28 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2bl5 h MET 112 CO -0.01 0.89 -0.65 -0.22 1.06 0.00 0.00 176.91 177.98 2bl5 h LYS 113 N 0.06 0.53 0.00 1.72 3.11 -1.40 -0.39 116.57 120.20 2bl5 h LYS 113 Ca -0.03 -0.38 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 2bl5 h LYS 113 Cb 1.48 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.78 2bl5 h LYS 113 CO 0.12 1.01 -0.40 1.28 -2.81 0.00 0.00 179.45 178.65 2bl5 n LEU 114 N -3.91 1.02 -0.08 5.20 4.77 -0.28 -4.41 117.00 119.31 2bl5 n LEU 114 Ca -0.04 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 2bl5 n LEU 114 Cb 0.66 -0.67 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 2bl5 n LEU 114 CO 0.48 -0.44 0.02 -0.03 -1.33 0.00 0.00 177.39 176.10 2bl5 h MET 115 N -0.55 0.00 0.00 3.23 4.05 -1.04 -3.34 114.93 117.28 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 0.40 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 2bl5 h MET 115 CO 0.00 0.83 0.00 0.93 0.23 0.00 0.00 176.91 178.90 2bl5 h GLU 116 N -1.00 0.00 -0.11 0.39 4.39 -0.94 -2.28 114.58 115.03 2bl5 h GLU 116 Ca -0.11 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 2bl5 h GLU 116 Cb 0.95 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 2bl5 h GLU 116 CO -0.06 0.00 -0.41 1.25 -1.16 0.00 0.00 179.01 178.62 2bl5 h LEU 117 N 0.00 0.26 -2.74 1.33 7.12 -1.17 -3.49 115.31 116.61 2bl5 h LEU 117 Ca 0.00 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.90 2bl5 h LEU 117 Cb 0.29 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.35 2bl5 h LEU 117 CO 0.00 0.65 -0.23 0.00 -0.13 0.00 0.00 178.44 178.73 2bl5 n ALA 118 N -2.47 -3.06 -1.00 1.25 0.00 -0.86 -5.07 120.51 109.29 2bl5 n ALA 118 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2bl5 n ALA 118 Cb 0.48 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.19 0.00 -1.70 0.00 -5.35 -1.26 -4.98 119.36 105.88 2bl5 n ILE 119 Ca 0.03 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.12 2bl5 n ILE 119 Cb 0.10 -1.79 0.05 0.00 -1.74 0.00 0.00 39.64 36.26 2bl5 n ILE 119 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2bl5 n LEU 120 N 0.00 5.06 0.00 7.28 -0.00 -1.26 -4.77 117.00 123.31 2bl5 n LEU 120 Ca 0.00 0.91 0.00 0.00 -0.00 0.00 0.00 56.01 56.92 2bl5 n LEU 120 Cb 0.00 -1.52 0.00 0.00 -0.00 0.00 0.00 43.42 41.90 2bl5 n LEU 120 CO 0.00 -1.00 0.00 -0.46 -0.00 0.00 0.00 177.39 175.93 2bl5 n ASN 121 N -1.04 0.00 -0.27 1.45 0.23 -1.10 -4.91 115.26 109.61 2bl5 n ASN 121 Ca 0.12 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.22 2bl5 n ASN 121 Cb 0.45 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 38.43 2bl5 n ASN 121 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2bl5 h GLY 122 N 0.00 1.21 0.33 4.83 0.00 -2.01 -3.09 103.07 104.34 2bl5 h GLY 122 Ca 0.00 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 2bl5 h GLY 122 CO 0.00 0.28 -0.16 -0.84 0.00 0.00 0.00 176.54 175.82 2bl5 h THR 123 N 0.95 0.00 -1.22 4.70 2.02 -1.94 -3.37 112.91 114.05 2bl5 h THR 123 Ca 0.37 -0.27 -0.73 0.00 0.77 0.00 0.00 66.41 66.55 2bl5 h THR 123 Cb 0.22 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.50 2bl5 h THR 123 CO -0.13 0.00 2.10 -1.22 0.37 0.00 0.00 175.52 176.64 2bl5 n TYR 124 N -3.93 3.98 0.94 3.16 4.01 -1.17 -4.63 117.16 119.52 2bl5 n TYR 124 Ca -0.05 -3.00 0.14 0.00 -0.16 0.00 0.00 57.90 54.82 2bl5 n TYR 124 Cb 0.17 -2.28 0.58 0.00 -0.31 0.00 0.00 39.34 37.51 2bl5 n TYR 124 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2bl5 n ARG 125 N 5.72 0.04 0.18 -0.72 -4.01 -1.20 -2.72 116.66 113.94 2bl5 n ARG 125 Ca 0.43 0.03 -0.12 0.00 -1.04 0.00 0.00 57.85 57.15 2bl5 n ARG 125 Cb 0.41 -1.55 -0.07 0.00 -3.04 0.00 0.00 32.46 28.21 2bl5 n ARG 125 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 2bl5 h ASP 126 N 0.00 -0.42 0.00 2.89 3.58 -1.90 -3.18 116.42 117.40 2bl5 h ASP 126 Ca 0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2bl5 h ASP 126 Cb 0.54 0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2bl5 h ASP 126 CO 0.00 -0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.35 2bl5 n ALA 127 N -2.57 2.36 -0.10 -0.78 0.00 -1.25 -2.94 120.51 115.23 2bl5 n ALA 127 Ca -0.09 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.12 2bl5 n ALA 127 Cb 0.28 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.40 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 0.57 -2.29 0.00 -0.73 -1.62 -3.36 115.58 108.15 2bl5 h ASN 128 Ca 0.00 -0.37 -0.67 0.00 1.87 0.00 0.00 56.30 57.13 2bl5 h ASN 128 Cb 0.00 -0.16 -0.17 0.00 0.27 0.00 0.00 38.32 38.27 2bl5 h ASN 128 CO 0.00 0.80 0.88 -0.76 -0.37 0.00 0.00 177.43 177.98 2bl5 s LEU 129 N -9.31 4.83 -0.36 0.34 1.43 -1.15 -4.98 118.68 109.48 2bl5 s LEU 129 Ca -0.13 -1.88 -0.29 0.00 -1.03 0.00 0.00 54.13 50.80 2bl5 s LEU 129 Cb 0.08 -2.42 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2bl5 s LEU 129 CO 0.78 -1.15 1.58 -1.59 0.23 0.00 0.00 176.35 176.20 2bl5 s LYS 130 N 3.06 3.52 -0.15 1.70 -2.85 -1.26 -4.99 119.74 118.77 2bl5 s LYS 130 Ca 0.33 1.21 -0.01 0.00 -1.00 0.00 0.00 55.97 56.50 2bl5 s LYS 130 Cb -0.05 -4.09 -0.01 0.00 -2.06 0.00 0.00 37.83 31.62 2bl5 s LYS 130 CO -0.08 -1.64 -0.11 -1.54 0.10 0.00 0.00 175.35 172.08 2bl5 s SER 131 N 4.76 4.05 0.65 0.03 1.04 -1.26 -5.01 113.70 117.95 2bl5 s SER 131 Ca 0.69 -0.35 0.43 0.00 0.48 0.00 0.00 55.95 57.20 2bl5 s SER 131 Cb -0.18 -1.63 2.25 0.00 0.10 0.00 0.00 66.02 66.56 2bl5 s SER 131 CO 0.32 0.12 2.31 1.55 0.98 0.00 0.00 173.24 178.53 2bl5 h PRO 132 N 7.02 0.00 0.00 4.02 0.13 -2.06 -3.37 132.00 137.75 2bl5 h PRO 132 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2bl5 h PRO 132 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bl5 h PRO 132 CO 0.57 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 2bl5 n ALA 133 N -2.09 2.81 0.02 -0.56 0.00 -1.26 -5.08 120.51 114.35 2bl5 n ALA 133 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2bl5 n ALA 133 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2bl5 n ALA 133 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2bl5 n LEU 134 N -2.22 -0.29 0.00 0.00 -0.00 -1.26 -5.25 117.00 107.99 2bl5 n LEU 134 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2bl5 n LEU 134 Cb 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 2bl5 n LEU 134 CO 0.00 -0.37 0.00 1.41 -0.00 0.00 0.00 177.39 178.43