#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 2.02 -0.06 2.61 1.43 0.22 -4.98 118.68 119.92 2bl5 s LEU 2 Ca 0.00 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2bl5 s LEU 2 Cb 0.00 -1.26 -0.00 0.00 0.03 0.00 0.00 46.19 44.96 2bl5 s LEU 2 CO 0.00 0.20 -0.19 -1.10 0.23 0.00 0.00 176.35 175.49 2bl5 s GLN 3 N 0.01 2.07 -0.14 1.70 -0.21 -1.26 -0.43 119.66 121.41 2bl5 s GLN 3 Ca -0.07 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 54.67 2bl5 s GLN 3 Cb -0.14 -1.73 0.01 0.00 1.00 0.00 0.00 33.01 32.15 2bl5 s GLN 3 CO 0.04 0.23 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.02 2bl5 s GLU 4 N 0.13 2.93 -0.24 2.91 2.02 -0.68 -4.97 118.70 120.80 2bl5 s GLU 4 Ca -0.07 -0.82 -0.06 0.00 0.02 0.00 0.00 54.97 54.03 2bl5 s GLU 4 Cb -0.13 -2.38 -0.02 0.00 0.10 0.00 0.00 34.13 31.70 2bl5 s GLU 4 CO 0.04 -0.02 0.04 0.15 0.02 0.00 0.00 175.26 175.48 2bl5 s LYS 5 N 0.84 3.58 -0.47 1.61 3.01 -1.26 -1.64 119.74 125.42 2bl5 s LYS 5 Ca -0.07 -0.52 -0.05 0.00 -1.01 0.00 0.00 55.97 54.33 2bl5 s LYS 5 Cb -0.15 -3.23 0.12 0.00 -1.01 0.00 0.00 37.83 33.56 2bl5 s LYS 5 CO -0.02 -0.18 0.29 -0.51 0.51 0.00 0.00 175.35 175.44 2bl5 s LEU 6 N 1.54 5.41 0.18 3.17 1.43 0.16 -4.95 118.68 125.61 2bl5 s LEU 6 Ca 0.06 -2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 50.72 2bl5 s LEU 6 Cb -0.15 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 44.10 2bl5 s LEU 6 CO 0.02 -0.56 1.22 -0.31 0.23 0.00 0.00 176.35 176.94 2bl5 s TYR 7 N 1.01 3.40 -0.19 0.29 1.51 -1.26 -1.21 117.35 120.88 2bl5 s TYR 7 Ca 0.09 1.38 -0.01 0.00 -1.01 0.00 0.00 57.07 57.53 2bl5 s TYR 7 Cb -0.23 -3.46 0.05 0.00 -0.11 0.00 0.00 41.96 38.21 2bl5 s TYR 7 CO -0.03 -1.32 -0.03 0.14 -1.11 0.00 0.00 175.55 173.19 2bl5 s VAL 8 N 0.02 1.10 -0.90 0.71 -7.23 -1.09 -4.95 120.40 108.06 2bl5 s VAL 8 Ca 0.54 -0.79 -0.24 0.00 -1.81 0.00 0.00 61.98 59.67 2bl5 s VAL 8 Cb -0.33 -1.38 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 2bl5 s VAL 8 CO 0.37 -0.02 1.82 -2.16 -0.31 0.00 0.00 175.10 174.80 2bl5 s PRO 9 N 1.61 2.79 0.60 4.82 0.04 -1.26 -4.43 135.00 139.16 2bl5 s PRO 9 Ca -0.02 -0.38 0.38 0.00 0.04 0.00 0.00 61.00 61.02 2bl5 s PRO 9 Cb -0.17 -5.05 1.79 0.00 0.04 0.00 0.00 34.50 31.11 2bl5 s PRO 9 CO -0.07 -3.06 2.14 -0.24 0.04 0.00 0.00 177.00 175.81 2bl5 h VAL 10 N 7.11 0.03 -0.04 -0.36 3.04 -1.86 0.22 116.25 124.39 2bl5 h VAL 10 Ca 0.08 -0.32 -0.10 0.00 -1.01 0.00 0.00 66.70 65.35 2bl5 h VAL 10 Cb 1.02 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.60 2bl5 h VAL 10 CO 1.26 0.01 -0.43 0.11 -1.01 0.00 0.00 177.57 177.50 2bl5 h LYS 11 N 0.00 0.08 0.00 4.17 1.57 -1.95 -2.88 116.57 117.55 2bl5 h LYS 11 Ca -0.00 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 2bl5 h LYS 11 Cb 0.31 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 2bl5 h LYS 11 CO 0.00 0.50 -0.71 0.93 -0.57 0.00 0.00 179.45 179.60 2bl5 h GLU 12 N 0.07 0.00 -3.16 3.15 4.39 -0.97 -3.38 114.58 114.68 2bl5 h GLU 12 Ca 0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.08 2bl5 h GLU 12 Cb 0.79 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 29.02 2bl5 h GLU 12 CO 0.06 0.71 -0.59 0.71 -1.16 0.00 0.00 179.01 178.74 2bl5 s TYR 13 N -3.08 3.45 0.14 4.33 1.51 -0.87 -4.92 117.35 117.91 2bl5 s TYR 13 Ca 0.01 -3.29 0.32 0.00 -1.01 0.00 0.00 57.07 53.10 2bl5 s TYR 13 Cb 0.10 -2.72 1.34 0.00 -0.11 0.00 0.00 41.96 40.56 2bl5 s TYR 13 CO 0.77 -0.60 1.98 -1.35 -1.11 0.00 0.00 175.55 175.24 2bl5 h PRO 14 N 5.70 0.00 0.00 -1.71 0.11 -1.74 -2.88 132.00 131.47 2bl5 h PRO 14 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2bl5 h PRO 14 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2bl5 h PRO 14 CO 0.71 0.04 -1.33 -0.40 -0.21 0.00 0.00 178.00 176.82 2bl5 n ASP 15 N -3.17 0.65 -4.24 -2.05 5.75 -1.26 -4.79 116.55 107.44 2bl5 n ASP 15 Ca 0.00 -0.64 -0.38 0.00 -0.01 0.00 0.00 54.79 53.77 2bl5 n ASP 15 Cb 0.31 1.32 -0.12 0.00 -1.03 0.00 0.00 41.12 41.60 2bl5 n ASP 15 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bl5 s PHE 16 N -3.18 3.31 -0.69 2.11 5.36 -1.09 -5.05 117.98 118.76 2bl5 s PHE 16 Ca 0.03 -1.62 -0.23 0.00 -0.96 0.00 0.00 56.93 54.14 2bl5 s PHE 16 Cb 0.15 -2.51 0.06 0.00 -0.34 0.00 0.00 43.02 40.39 2bl5 s PHE 16 CO 0.88 -0.79 1.04 0.54 -1.46 0.00 0.00 175.22 175.43 2bl5 s ASN 17 N 1.58 6.19 0.43 6.13 6.03 -1.26 -4.80 114.94 129.23 2bl5 s ASN 17 Ca 0.00 -0.91 0.11 0.00 -1.03 0.00 0.00 52.86 51.03 2bl5 s ASN 17 Cb -0.21 -2.45 0.96 0.00 -3.03 0.00 0.00 41.25 36.53 2bl5 s ASN 17 CO 0.01 -1.52 2.02 -0.26 -2.03 0.00 0.00 177.10 175.32 2bl5 h PHE 18 N 9.65 0.46 0.02 1.54 0.04 -1.96 0.50 116.94 127.19 2bl5 h PHE 18 Ca -0.27 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.51 2bl5 h PHE 18 Cb 1.06 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.06 2bl5 h PHE 18 CO 1.01 0.25 -0.01 -0.39 -0.60 0.00 0.00 178.31 178.57 2bl5 h VAL 19 N 0.46 1.30 0.00 -0.55 -1.51 -1.90 0.51 116.25 114.56 2bl5 h VAL 19 Ca 0.21 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 2bl5 h VAL 19 Cb 0.26 1.99 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2bl5 h VAL 19 CO -0.06 0.26 0.00 0.61 -1.23 0.00 0.00 177.57 177.16 2bl5 n GLY 20 N 0.10 -0.82 0.12 5.19 0.00 -0.68 0.03 105.19 109.14 2bl5 n GLY 20 Ca -0.08 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.80 0.66 -0.06 1.61 3.00 0.17 -3.32 116.66 116.90 2bl5 n ARG 21 Ca 0.01 0.43 -0.09 0.00 -0.00 0.00 0.00 57.85 58.20 2bl5 n ARG 21 Cb 0.08 -1.73 -0.08 0.00 0.00 0.00 0.00 32.46 30.74 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 -0.51 1.01 0.00 5.15 1.08 0.11 -3.38 117.51 120.97 2bl5 h ILE 22 Ca -0.39 -1.79 0.00 0.00 -0.39 0.00 0.00 64.86 62.29 2bl5 h ILE 22 Cb 1.64 1.95 0.00 0.00 -3.07 0.00 0.00 36.82 37.34 2bl5 h ILE 22 CO -0.08 0.34 -1.19 0.00 -0.69 0.00 0.00 178.15 176.54 2bl5 n LEU 23 N -4.66 0.61 0.00 1.44 -0.00 0.10 -2.82 117.00 111.68 2bl5 n LEU 23 Ca -0.08 -0.35 0.00 0.00 -0.00 0.00 0.00 56.01 55.59 2bl5 n LEU 23 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.73 2bl5 n LEU 23 CO 0.20 0.15 0.28 0.61 -0.00 0.00 0.00 177.39 178.63 2bl5 n GLY 24 N 1.43 -3.22 0.03 1.47 0.00 0.02 -1.37 105.19 103.56 2bl5 n GLY 24 Ca 0.01 0.35 0.11 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.95 0.31 -0.24 1.61 -0.05 -1.24 -4.38 135.00 130.07 2bl5 n PRO 25 Ca 0.00 -0.01 0.07 0.00 -0.05 0.00 0.00 63.50 63.51 2bl5 n PRO 25 Cb 0.00 -1.60 0.17 0.00 -0.05 0.00 0.00 33.50 32.02 2bl5 n PRO 25 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 2bl5 n ARG 26 N -2.00 2.59 -0.18 0.54 5.12 -1.25 -4.71 116.66 116.78 2bl5 n ARG 26 Ca 0.02 -2.40 0.29 0.00 -1.93 0.00 0.00 57.85 53.83 2bl5 n ARG 26 Cb 0.45 -1.51 0.72 0.00 -1.16 0.00 0.00 32.46 30.96 2bl5 n ARG 26 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2bl5 h GLY 27 N 1.25 0.00 0.59 -0.13 0.00 -1.05 0.12 103.07 103.84 2bl5 h GLY 27 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.46 2bl5 h GLY 27 CO 0.09 0.00 0.57 1.41 0.00 0.00 0.00 176.54 178.61 2bl5 h LEU 28 N 0.00 0.68 -1.06 3.11 3.38 -1.84 -1.88 115.31 117.70 2bl5 h LEU 28 Ca 0.43 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.36 2bl5 h LEU 28 Cb 1.82 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 2bl5 h LEU 28 CO -0.00 0.36 -0.15 0.00 0.09 0.00 0.00 178.44 178.74 2bl5 h THR 29 N 0.73 1.24 -0.35 0.22 1.03 -1.08 0.19 112.91 114.90 2bl5 h THR 29 Ca 0.43 -1.07 -0.08 0.00 -0.01 0.00 0.00 66.41 65.69 2bl5 h THR 29 Cb 0.63 1.19 -0.01 0.00 -1.07 0.00 0.00 68.15 68.89 2bl5 h THR 29 CO -0.20 0.35 -0.09 0.00 -0.01 0.00 0.00 175.52 175.57 2bl5 h ALA 30 N 1.39 0.48 -0.21 0.00 0.00 -1.48 -1.62 119.26 117.83 2bl5 h ALA 30 Ca 0.08 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2bl5 h ALA 30 Cb 0.53 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2bl5 h ALA 30 CO 0.03 0.33 -0.34 -0.22 0.00 0.00 0.00 179.25 179.05 2bl5 h LYS 31 N 0.46 0.45 -0.35 0.00 3.64 -1.13 -2.40 116.57 117.24 2bl5 h LYS 31 Ca 0.09 -0.20 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 2bl5 h LYS 31 Cb 0.60 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2bl5 h LYS 31 CO 0.04 0.73 -0.15 1.96 -2.27 0.00 0.00 179.45 179.76 2bl5 h GLN 32 N 0.38 0.64 -0.30 1.90 1.08 -0.50 -0.92 115.11 117.39 2bl5 h GLN 32 Ca 0.04 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 2bl5 h GLN 32 Cb 0.78 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 2bl5 h GLN 32 CO 0.06 0.76 0.02 1.25 -0.95 0.00 0.00 178.83 179.98 2bl5 h LEU 33 N 0.58 0.50 -0.28 1.46 6.46 -0.82 0.27 115.31 123.48 2bl5 h LEU 33 Ca 0.10 -0.29 -0.20 0.00 -0.12 0.00 0.00 57.88 57.37 2bl5 h LEU 33 Cb 0.59 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2bl5 h LEU 33 CO 0.04 0.66 -0.69 1.05 -0.62 0.00 0.00 178.44 178.88 2bl5 h GLU 34 N 0.31 0.73 -0.43 1.25 4.11 -0.99 0.13 114.58 119.69 2bl5 h GLU 34 Ca 0.09 -0.54 -0.07 0.00 0.07 0.00 0.00 59.36 58.90 2bl5 h GLU 34 Cb 0.39 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2bl5 h GLU 34 CO 0.01 1.16 -0.01 0.00 0.07 0.00 0.00 179.01 180.25 2bl5 h ALA 35 N 0.70 0.58 0.02 1.06 0.00 -1.02 -2.65 119.26 117.95 2bl5 h ALA 35 Ca -0.03 -0.27 -0.32 0.00 0.00 0.00 0.00 54.91 54.29 2bl5 h ALA 35 Cb 1.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2bl5 h ALA 35 CO 0.14 0.37 -1.76 0.39 0.00 0.00 0.00 179.25 178.39 2bl5 n GLU 36 N -4.40 0.60 0.13 0.00 -0.58 0.93 -4.45 120.64 112.87 2bl5 n GLU 36 Ca -0.00 0.43 0.02 0.00 -0.42 0.00 0.00 57.16 57.19 2bl5 n GLU 36 Cb 0.30 -1.66 0.01 0.00 -0.57 0.00 0.00 31.44 29.52 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 -0.82 0.94 0.00 2.62 1.35 -0.88 -3.47 112.91 112.66 2bl5 h THR 37 Ca -0.47 -2.33 0.00 0.00 -0.55 0.00 0.00 66.41 63.07 2bl5 h THR 37 Cb 1.51 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 2bl5 h THR 37 CO -0.23 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 2bl5 n GLY 38 N 1.24 0.99 3.59 5.82 0.00 -1.00 -4.81 105.19 111.02 2bl5 n GLY 38 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 1.98 3.43 -0.33 0.00 2.36 0.95 -2.10 119.74 126.02 2bl5 s LYS 40 Ca 0.12 -1.03 -0.29 0.00 -2.55 0.00 0.00 55.97 52.22 2bl5 s LYS 40 Cb -0.16 -4.82 0.02 0.00 -1.05 0.00 0.00 37.83 31.82 2bl5 s LYS 40 CO 0.10 -2.03 1.10 -1.50 1.55 0.00 0.00 175.35 174.57 2bl5 s ILE 41 N 4.46 4.45 -0.09 5.43 2.07 -1.26 -2.06 121.20 134.21 2bl5 s ILE 41 Ca 0.37 1.66 0.03 0.00 -1.41 0.00 0.00 60.65 61.29 2bl5 s ILE 41 Cb -0.06 -4.41 -0.01 0.00 0.13 0.00 0.00 42.46 38.11 2bl5 s ILE 41 CO -0.01 -0.52 -0.17 0.00 -1.91 0.00 0.00 174.94 172.32 2bl5 s MET 42 N 3.76 2.96 0.26 3.50 0.23 0.20 -4.91 119.30 125.30 2bl5 s MET 42 Ca 0.47 -0.76 -0.30 0.00 -1.03 0.00 0.00 55.69 54.07 2bl5 s MET 42 Cb -0.12 -2.43 -0.09 0.00 -1.53 0.00 0.00 34.83 30.65 2bl5 s MET 42 CO 0.17 0.35 1.08 0.14 -2.03 0.00 0.00 175.02 174.73 2bl5 s VAL 43 N -0.03 3.59 0.17 5.16 -7.23 -1.26 -1.05 120.40 119.75 2bl5 s VAL 43 Ca -0.05 1.57 0.06 0.00 -1.81 0.00 0.00 61.98 61.75 2bl5 s VAL 43 Cb -0.14 -4.00 -0.04 0.00 0.56 0.00 0.00 36.38 32.75 2bl5 s VAL 43 CO 0.04 0.36 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.94 2bl5 s ARG 44 N -1.29 1.18 0.43 4.82 0.52 0.65 -4.74 118.95 120.53 2bl5 s ARG 44 Ca 0.45 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 2bl5 s ARG 44 Cb -0.31 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.29 2bl5 s ARG 44 CO 0.39 0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.26 2bl5 n GLY 45 N -0.22 -2.33 3.76 -3.53 0.00 0.44 -0.34 105.19 102.98 2bl5 n GLY 45 Ca -0.10 -1.60 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.47 3.57 0.00 1.61 0.00 -1.17 -2.04 119.74 121.24 2bl5 s LYS 46 Ca 0.00 1.99 0.00 0.00 0.00 0.00 0.00 55.97 57.96 2bl5 s LYS 46 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 37.83 35.42 2bl5 s LYS 46 CO 0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.35 174.99 2bl5 n GLY 47 N 0.58 2.67 0.13 0.59 0.00 -1.26 -4.22 105.19 103.67 2bl5 n GLY 47 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 2bl5 n GLY 47 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bl5 n SER 48 N 0.00 0.38 -0.87 1.61 7.64 -0.86 -3.81 113.62 117.71 2bl5 n SER 48 Ca 0.00 -1.40 0.01 0.00 1.01 0.00 0.00 58.87 58.49 2bl5 n SER 48 Cb 0.00 -0.02 0.20 0.00 -1.01 0.00 0.00 64.21 63.38 2bl5 n SER 48 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 2bl5 n MET 49 N -0.58 1.79 0.05 1.43 0.00 -1.26 -4.49 117.12 114.06 2bl5 n MET 49 Ca 0.16 -3.15 0.11 0.00 0.00 0.00 0.00 57.70 54.83 2bl5 n MET 49 Cb 0.14 -1.73 -0.07 0.00 0.00 0.00 0.00 33.22 31.55 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 -1.10 0.61 -3.35 3.17 0.00 -1.25 -4.82 116.66 109.92 2bl5 n ARG 50 Ca 0.26 -0.02 -0.45 0.00 -0.00 0.00 0.00 57.85 57.64 2bl5 n ARG 50 Cb 0.88 -1.68 -0.07 0.00 -0.00 0.00 0.00 32.46 31.59 2bl5 n ARG 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2bl5 s ASP 51 N -4.93 6.16 0.32 2.89 1.01 -1.26 -4.90 116.67 115.96 2bl5 s ASP 51 Ca -0.04 -1.39 0.02 0.00 0.71 0.00 0.00 52.55 51.85 2bl5 s ASP 51 Cb 0.12 -2.20 0.58 0.00 1.01 0.00 0.00 42.92 42.43 2bl5 s ASP 51 CO 0.84 -0.71 1.94 0.50 0.21 0.00 0.00 175.17 177.95 2bl5 h LYS 52 N 8.81 0.93 -0.41 8.23 3.64 -1.99 0.71 116.57 136.50 2bl5 h LYS 52 Ca -0.29 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2bl5 h LYS 52 Cb 1.11 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.70 2bl5 h LYS 52 CO 0.92 0.62 0.16 1.57 -2.27 0.00 0.00 179.45 180.45 2bl5 h LYS 53 N 0.96 0.60 -0.37 1.90 2.10 -1.99 -2.07 116.57 117.71 2bl5 h LYS 53 Ca 0.35 -0.11 -0.02 0.00 -2.00 0.00 0.00 60.65 58.87 2bl5 h LYS 53 Cb 0.15 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 2bl5 h LYS 53 CO -0.12 0.57 0.14 0.87 -2.00 0.00 0.00 179.45 178.91 2bl5 h LYS 54 N 0.51 0.55 0.00 0.07 6.56 -1.34 -0.72 116.57 122.20 2bl5 h LYS 54 Ca 0.14 -0.10 -0.01 0.00 -1.06 0.00 0.00 60.65 59.61 2bl5 h LYS 54 Cb 0.18 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 31.76 2bl5 h LYS 54 CO -0.01 0.54 -0.05 1.05 -2.06 0.00 0.00 179.45 178.91 2bl5 h GLU 55 N 0.44 0.00 0.00 3.15 4.11 -0.93 0.77 114.58 122.13 2bl5 h GLU 55 Ca 0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.52 2bl5 h GLU 55 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2bl5 h GLU 55 CO -0.01 0.05 -0.23 0.93 0.07 0.00 0.00 179.01 179.82 2bl5 h GLU 56 N 0.00 0.00 0.00 1.06 5.08 -0.80 -3.38 114.58 116.54 2bl5 h GLU 56 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2bl5 h GLU 56 Cb 0.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2bl5 h GLU 56 CO 0.01 0.48 -2.01 0.00 -1.00 0.00 0.00 179.01 176.48 2bl5 n GLN 57 N -4.65 1.59 -0.39 2.33 -0.00 -0.33 -4.51 117.38 111.42 2bl5 n GLN 57 Ca -0.09 -0.01 0.09 0.00 -0.00 0.00 0.00 57.00 57.00 2bl5 n GLN 57 Cb 0.29 -1.38 0.24 0.00 -0.00 0.00 0.00 30.24 29.39 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 -2.55 3.61 -4.55 2.61 4.05 0.14 -5.02 115.26 113.55 2bl5 n ASN 58 Ca -0.24 -3.04 -0.32 0.00 0.45 0.00 0.00 54.58 51.43 2bl5 n ASN 58 Cb 0.98 -0.53 0.15 0.00 1.23 0.00 0.00 39.78 41.62 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 -0.68 -0.53 0.00 1.20 1.85 0.22 -3.11 116.66 115.61 2bl5 n ARG 59 Ca 0.21 -0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 2bl5 n ARG 59 Cb 0.85 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 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 0.85 2.94 3.79 2.89 0.00 -1.26 -5.00 105.19 109.39 2bl5 n GLY 60 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 1.47 0.07 1.61 -2.85 -1.18 -4.35 119.74 114.51 2bl5 s LYS 61 Ca 0.00 0.41 0.05 0.00 -1.00 0.00 0.00 55.97 55.42 2bl5 s LYS 61 Cb 0.00 -1.87 0.25 0.00 -2.06 0.00 0.00 37.83 34.15 2bl5 s LYS 61 CO 0.00 -2.00 0.28 -2.30 0.10 0.00 0.00 175.35 171.43 2bl5 n PRO 62 N -3.65 -0.01 0.08 1.78 -0.02 -1.26 0.49 135.00 132.41 2bl5 n PRO 62 Ca 0.07 0.24 -0.11 0.00 -2.02 0.00 0.00 63.50 61.67 2bl5 n PRO 62 Cb 0.58 -0.44 -0.06 0.00 -0.02 0.00 0.00 33.50 33.56 2bl5 n PRO 62 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2bl5 h ASN 63 N 0.00 0.34 1.07 2.55 2.35 -1.90 0.16 115.58 120.14 2bl5 h ASN 63 Ca 0.15 -0.30 -0.07 0.00 -0.55 0.00 0.00 56.30 55.53 2bl5 h ASN 63 Cb 0.44 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2bl5 h ASN 63 CO -0.12 1.15 -0.98 -0.50 -1.65 0.00 0.00 177.43 175.33 2bl5 h TRP 64 N 0.12 0.00 0.79 1.19 4.06 -0.19 0.21 115.95 122.12 2bl5 h TRP 64 Ca -0.07 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.84 2bl5 h TRP 64 Cb 1.66 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.83 2bl5 h TRP 64 CO 0.04 0.27 -0.38 1.49 -3.56 0.00 0.00 178.44 176.31 2bl5 h GLU 65 N 0.00 -1.02 -0.15 0.49 4.81 -0.32 -3.17 114.58 115.21 2bl5 h GLU 65 Ca -0.06 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2bl5 h GLU 65 Cb 1.26 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.87 2bl5 h GLU 65 CO 0.03 -0.67 0.00 -2.39 -0.73 0.00 0.00 179.01 175.24 2bl5 n HIS 66 N -5.54 0.19 0.25 0.92 1.44 0.52 -3.74 115.22 109.26 2bl5 n HIS 66 Ca -0.15 -0.10 0.18 0.00 -2.01 0.00 0.00 57.72 55.65 2bl5 n HIS 66 Cb 0.42 0.00 0.89 0.00 0.12 0.00 0.00 29.99 31.42 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 2.39 0.00 -0.81 2.39 6.46 -0.55 0.18 115.31 125.37 2bl5 h LEU 67 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2bl5 h LEU 67 Cb 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.45 2bl5 h LEU 67 CO 0.00 0.00 0.00 0.59 -0.62 0.00 0.00 178.44 178.41 2bl5 n ASN 68 N -3.49 1.20 -3.39 1.25 3.02 -1.25 -3.41 115.26 109.20 2bl5 n ASN 68 Ca 0.00 -1.84 -0.10 0.00 -0.03 0.00 0.00 54.58 52.61 2bl5 n ASN 68 Cb 0.31 -0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.38 2bl5 n ASN 68 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bl5 n GLU 69 N 0.09 0.92 -4.10 3.52 1.02 -0.02 -5.03 120.64 117.05 2bl5 n GLU 69 Ca 0.11 -1.55 -0.34 0.00 -0.02 0.00 0.00 57.16 55.36 2bl5 n GLU 69 Cb 0.22 -0.01 -0.07 0.00 -0.02 0.00 0.00 31.44 31.56 2bl5 n GLU 69 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bl5 s ASP 70 N -2.65 5.76 -0.16 1.62 2.15 -1.26 -3.07 116.67 119.06 2bl5 s ASP 70 Ca 0.24 0.21 -0.35 0.00 0.43 0.00 0.00 52.55 53.07 2bl5 s ASP 70 Cb -0.02 -1.70 -0.12 0.00 -0.30 0.00 0.00 42.92 40.78 2bl5 s ASP 70 CO 0.15 0.31 1.91 -0.11 -0.17 0.00 0.00 175.17 177.26 2bl5 n LEU 71 N 1.43 3.09 -3.98 -1.34 7.94 -1.23 -4.00 117.00 118.91 2bl5 n LEU 71 Ca -0.15 0.90 -0.10 0.00 -1.11 0.00 0.00 56.01 55.56 2bl5 n LEU 71 Cb 0.53 -1.32 -0.07 0.00 0.53 0.00 0.00 43.42 43.09 2bl5 n LEU 71 CO 0.36 -0.23 -0.05 -1.38 -1.11 0.00 0.00 177.39 174.98 2bl5 s HIS 72 N 4.54 0.44 -0.10 1.96 -3.43 0.54 -2.67 115.29 116.56 2bl5 s HIS 72 Ca 0.96 -0.81 -0.03 0.00 -0.80 0.00 0.00 55.06 54.38 2bl5 s HIS 72 Cb -0.77 -0.10 -0.03 0.00 -1.43 0.00 0.00 32.58 30.24 2bl5 s HIS 72 CO 0.54 -0.69 0.03 0.14 -2.00 0.00 0.00 174.74 172.75 2bl5 s VAL 73 N -3.97 4.56 -0.13 -5.38 -7.23 -0.35 -0.25 120.40 107.65 2bl5 s VAL 73 Ca 0.18 -0.15 -0.02 0.00 -1.81 0.00 0.00 61.98 60.18 2bl5 s VAL 73 Cb 0.04 -2.95 0.04 0.00 0.56 0.00 0.00 36.38 34.07 2bl5 s VAL 73 CO -0.00 0.59 0.01 -0.22 -0.31 0.00 0.00 175.10 175.17 2bl5 s LEU 74 N -0.73 0.88 -0.52 1.32 0.20 -0.21 0.36 118.68 119.97 2bl5 s LEU 74 Ca 0.12 -0.41 -0.26 0.00 0.69 0.00 0.00 54.13 54.27 2bl5 s LEU 74 Cb -0.12 -0.53 0.03 0.00 -0.43 0.00 0.00 46.19 45.14 2bl5 s LEU 74 CO 0.02 -0.24 1.02 0.27 -0.29 0.00 0.00 176.35 177.14 2bl5 s ILE 75 N 1.91 4.30 -0.33 6.68 -4.36 -0.65 0.60 121.20 129.35 2bl5 s ILE 75 Ca 0.03 0.69 -0.11 0.00 -0.26 0.00 0.00 60.65 60.99 2bl5 s ILE 75 Cb -0.14 -4.56 -0.01 0.00 1.25 0.00 0.00 42.46 39.00 2bl5 s ILE 75 CO -0.07 -1.07 0.19 -0.89 0.24 0.00 0.00 174.94 173.34 2bl5 s THR 76 N 4.20 4.85 -0.11 8.37 2.01 -0.87 -1.69 115.64 132.39 2bl5 s THR 76 Ca 0.38 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 62.00 2bl5 s THR 76 Cb -0.10 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 2bl5 s THR 76 CO 0.24 -0.00 -0.20 0.54 -0.69 0.00 0.00 174.62 174.51 2bl5 s VAL 77 N 1.65 2.40 -0.75 3.82 0.11 0.43 -0.04 120.40 128.02 2bl5 s VAL 77 Ca 0.05 -0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 58.09 2bl5 s VAL 77 Cb -0.17 -1.96 0.20 0.00 -1.53 0.00 0.00 36.38 32.92 2bl5 s VAL 77 CO 0.08 0.55 0.67 -1.61 -3.33 0.00 0.00 175.10 171.45 2bl5 s GLU 78 N 0.38 3.32 0.00 1.54 2.02 -1.26 -0.61 118.70 124.09 2bl5 s GLU 78 Ca -0.15 -2.39 0.00 0.00 0.02 0.00 0.00 54.97 52.45 2bl5 s GLU 78 Cb -0.17 -4.27 0.00 0.00 0.10 0.00 0.00 34.13 29.79 2bl5 s GLU 78 CO 0.07 -1.27 0.00 -3.47 0.02 0.00 0.00 175.26 170.61 2bl5 n ASP 79 N 4.02 0.00 -0.00 -0.19 -0.08 -1.26 -5.04 116.55 114.00 2bl5 n ASP 79 Ca 0.10 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.48 2bl5 n ASP 79 Cb 0.44 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.76 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 -0.38 3.87 -2.00 -1.67 0.00 -1.26 -4.60 120.51 114.46 2bl5 n ALA 80 Ca 0.00 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.46 2bl5 n ALA 80 Cb 0.00 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 2bl5 n ALA 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2bl5 s GLN 81 N -3.21 4.24 0.43 0.00 -0.21 -1.26 -4.89 119.66 114.77 2bl5 s GLN 81 Ca 0.01 2.27 0.10 0.00 0.02 0.00 0.00 55.36 57.76 2bl5 s GLN 81 Cb 0.15 -3.22 0.95 0.00 1.00 0.00 0.00 33.01 31.89 2bl5 s GLN 81 CO 0.88 -0.57 2.05 -0.97 -2.12 0.00 0.00 175.29 174.56 2bl5 h ASN 82 N 6.93 0.30 -0.78 5.90 -0.73 -1.99 -1.75 115.58 123.45 2bl5 h ASN 82 Ca -0.42 -0.02 0.09 0.00 1.87 0.00 0.00 56.30 57.82 2bl5 h ASN 82 Cb 1.20 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 39.67 2bl5 h ASN 82 CO 0.90 0.26 0.51 0.03 -0.37 0.00 0.00 177.43 178.77 2bl5 h ARG 83 N 0.34 0.71 0.16 6.67 3.08 -1.98 0.34 114.38 123.70 2bl5 h ARG 83 Ca 0.09 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 2bl5 h ARG 83 Cb 0.04 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2bl5 h ARG 83 CO -0.01 0.47 -0.08 0.00 -1.07 0.00 0.00 179.97 179.28 2bl5 h ALA 84 N 1.60 -0.22 -0.16 0.04 0.00 -1.64 -2.11 119.26 116.78 2bl5 h ALA 84 Ca 0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2bl5 h ALA 84 Cb 0.43 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2bl5 h ALA 84 CO -0.14 -0.34 -0.06 1.05 0.00 0.00 0.00 179.25 179.76 2bl5 h GLU 85 N -0.77 0.23 -0.64 0.00 4.11 -1.29 -1.18 114.58 115.04 2bl5 h GLU 85 Ca -0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 2bl5 h GLU 85 Cb 0.52 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2bl5 h GLU 85 CO 0.04 0.31 0.08 1.25 0.07 0.00 0.00 179.01 180.76 2bl5 h LEU 86 N 0.23 1.02 -0.27 3.06 5.85 -0.32 0.68 115.31 125.56 2bl5 h LEU 86 Ca 0.05 -0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.39 2bl5 h LEU 86 Cb 0.27 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2bl5 h LEU 86 CO 0.01 1.03 -0.35 0.50 -0.34 0.00 0.00 178.44 179.29 2bl5 h LYS 87 N 0.99 0.71 -0.31 1.25 3.64 -0.61 -2.56 116.57 119.68 2bl5 h LYS 87 Ca 0.19 -0.41 -0.17 0.00 -1.27 0.00 0.00 60.65 59.00 2bl5 h LYS 87 Cb 0.45 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2bl5 h LYS 87 CO 0.02 1.03 -0.47 1.37 -2.27 0.00 0.00 179.45 179.12 2bl5 h LEU 88 N 0.44 0.89 -0.87 5.20 8.10 -1.17 -2.86 115.31 125.04 2bl5 h LEU 88 Ca 0.03 -0.44 -0.09 0.00 0.11 0.00 0.00 57.88 57.49 2bl5 h LEU 88 Cb 0.94 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.89 2bl5 h LEU 88 CO 0.08 1.22 -0.14 0.07 -4.11 0.00 0.00 178.44 175.56 2bl5 h LYS 89 N 0.65 0.68 -0.31 0.17 5.09 -0.85 0.31 116.57 122.32 2bl5 h LYS 89 Ca 0.04 -0.23 -0.11 0.00 0.09 0.00 0.00 60.65 60.44 2bl5 h LYS 89 Cb 1.05 -0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.32 2bl5 h LYS 89 CO 0.10 0.79 -0.22 0.07 -2.09 0.00 0.00 179.45 178.10 2bl5 h ARG 90 N 0.61 0.70 -0.33 0.07 0.11 -1.47 0.47 114.38 114.55 2bl5 h ARG 90 Ca 0.10 -0.34 -0.10 0.00 0.10 0.00 0.00 59.98 59.74 2bl5 h ARG 90 Cb 0.59 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 2bl5 h ARG 90 CO 0.04 0.95 -0.19 0.00 0.10 0.00 0.00 179.97 180.87 2bl5 h ALA 91 N 0.74 0.46 0.00 0.08 0.00 -1.25 -2.67 119.26 116.62 2bl5 h ALA 91 Ca 0.06 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2bl5 h ALA 91 Cb 0.78 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2bl5 h ALA 91 CO 0.06 0.40 -0.39 -0.24 0.00 0.00 0.00 179.25 179.08 2bl5 h VAL 92 N 0.47 1.19 -0.29 0.00 3.04 -0.34 -1.72 116.25 118.61 2bl5 h VAL 92 Ca 0.07 -1.39 -0.08 0.00 -1.01 0.00 0.00 66.70 64.30 2bl5 h VAL 92 Cb 0.73 1.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 2bl5 h VAL 92 CO 0.05 0.39 -0.14 -0.33 -1.01 0.00 0.00 177.57 176.53 2bl5 h GLU 93 N 0.00 0.49 -0.14 4.17 5.08 -0.73 0.53 114.58 123.99 2bl5 h GLU 93 Ca -0.00 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.11 2bl5 h GLU 93 Cb 0.74 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2bl5 h GLU 93 CO 0.05 0.63 -0.35 0.93 -1.00 0.00 0.00 179.01 179.27 2bl5 h GLU 94 N 0.45 0.28 -0.50 2.33 5.08 -1.05 -1.91 114.58 119.27 2bl5 h GLU 94 Ca 0.08 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2bl5 h GLU 94 Cb 0.52 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2bl5 h GLU 94 CO 0.03 0.60 -0.01 0.28 -1.00 0.00 0.00 179.01 178.91 2bl5 h VAL 95 N 0.24 1.25 -0.41 3.13 2.07 -0.35 -1.54 116.25 120.64 2bl5 h VAL 95 Ca 0.03 -1.05 0.12 0.00 0.82 0.00 0.00 66.70 66.61 2bl5 h VAL 95 Cb 0.73 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2bl5 h VAL 95 CO 0.06 0.37 0.30 0.11 0.02 0.00 0.00 177.57 178.43 2bl5 h LYS 96 N 0.79 0.01 0.00 1.57 1.57 0.77 0.86 116.57 122.13 2bl5 h LYS 96 Ca 0.15 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2bl5 h LYS 96 Cb 0.49 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2bl5 h LYS 96 CO 0.02 0.01 -0.31 -0.22 -0.57 0.00 0.00 179.45 178.39 2bl5 h LYS 97 N 0.01 0.00 0.13 3.15 1.63 -0.67 -3.35 116.57 117.48 2bl5 h LYS 97 Ca 0.20 0.00 -0.34 0.00 -0.85 0.00 0.00 60.65 59.66 2bl5 h LYS 97 Cb 0.77 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2bl5 h LYS 97 CO -0.00 0.31 -1.80 -0.07 -3.45 0.00 0.00 179.45 174.43 2bl5 h LEU 98 N 0.00 0.44 -2.13 5.20 -0.00 0.11 -3.38 115.31 115.55 2bl5 h LEU 98 Ca -0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 56.97 2bl5 h LEU 98 Cb 1.08 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 2bl5 h LEU 98 CO 0.04 1.79 0.00 0.00 -0.00 0.00 0.00 178.44 180.27 2bl5 n LEU 99 N -3.64 2.08 -4.61 1.67 -0.00 0.23 -4.73 117.00 108.00 2bl5 n LEU 99 Ca -0.29 -1.03 -0.34 0.00 -0.00 0.00 0.00 56.01 54.35 2bl5 n LEU 99 Cb 1.01 -0.36 -0.10 0.00 -0.00 0.00 0.00 43.42 43.97 2bl5 n LEU 99 CO 0.43 0.36 -0.28 -0.69 -0.00 0.00 0.00 177.39 177.21 2bl5 s VAL 100 N 0.39 4.52 0.62 1.47 1.01 -1.26 -4.99 120.40 122.16 2bl5 s VAL 100 Ca 0.00 -0.14 0.31 0.00 0.00 0.00 0.00 61.98 62.15 2bl5 s VAL 100 Cb 0.00 -3.00 0.36 0.00 0.00 0.00 0.00 36.38 33.73 2bl5 s VAL 100 CO 0.00 0.49 2.04 1.55 0.00 0.00 0.00 175.10 179.19 2bl5 h PRO 101 N 6.43 0.00 0.00 2.72 0.13 -1.96 -3.47 132.00 135.85 2bl5 h PRO 101 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2bl5 h PRO 101 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2bl5 h PRO 101 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 2bl5 n ALA 102 N -2.19 0.00 -0.71 -0.56 0.00 -1.26 -4.85 120.51 110.94 2bl5 n ALA 102 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2bl5 n ALA 102 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.43 0.00 -0.56 0.00 0.00 -1.26 -4.94 120.51 114.18 2bl5 n ALA 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bl5 n ALA 103 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bl5 n ALA 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2bl5 n GLU 104 N 0.00 -1.56 0.00 0.00 2.13 -1.26 -4.84 120.64 115.10 2bl5 n GLU 104 Ca 0.00 1.18 0.00 0.00 0.66 0.00 0.00 57.16 59.00 2bl5 n GLU 104 Cb 0.00 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.35 2bl5 n GLU 104 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bl5 n GLY 105 N -1.21 1.54 0.19 8.31 0.00 -1.26 -4.19 105.19 108.57 2bl5 n GLY 105 Ca 0.00 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2bl5 n GLY 105 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2bl5 h GLU 106 N 0.00 -0.21 0.01 1.61 4.11 -2.01 0.17 114.58 118.26 2bl5 h GLU 106 Ca 0.00 0.01 -0.27 0.00 0.07 0.00 0.00 59.36 59.18 2bl5 h GLU 106 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2bl5 h GLU 106 CO 0.00 -0.14 -1.48 0.22 0.07 0.00 0.00 179.01 177.68 2bl5 h ASP 107 N -0.22 0.03 -0.27 3.06 3.58 -1.94 -3.35 116.42 117.32 2bl5 h ASP 107 Ca 0.07 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2bl5 h ASP 107 Cb 0.31 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 2bl5 h ASP 107 CO -0.18 1.04 0.15 0.28 -2.88 0.00 0.00 179.24 177.65 2bl5 h SER 108 N 0.00 0.33 -0.43 2.28 0.02 -1.67 -0.52 113.55 113.56 2bl5 h SER 108 Ca -0.20 -0.07 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 2bl5 h SER 108 Cb 1.94 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 64.33 2bl5 h SER 108 CO 0.10 0.30 0.04 -0.07 -1.14 0.00 0.00 176.83 176.06 2bl5 h LEU 109 N 0.33 -0.08 -0.10 5.07 3.38 -0.80 0.67 115.31 123.78 2bl5 h LEU 109 Ca 0.09 0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 2bl5 h LEU 109 Cb 0.04 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2bl5 h LEU 109 CO -0.02 -0.01 -0.38 0.50 0.09 0.00 0.00 178.44 178.63 2bl5 h LYS 110 N 0.16 0.43 -0.85 1.13 3.64 -1.69 -1.51 116.57 117.88 2bl5 h LYS 110 Ca 0.21 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2bl5 h LYS 110 Cb 0.29 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.13 2bl5 h LYS 110 CO -0.32 0.96 0.48 -0.22 -2.27 0.00 0.00 179.45 178.08 2bl5 h LYS 111 N -0.01 1.17 0.01 1.90 3.64 -0.66 -1.20 116.57 121.42 2bl5 h LYS 111 Ca -0.02 -0.13 -0.22 0.00 -1.27 0.00 0.00 60.65 59.01 2bl5 h LYS 111 Cb 1.01 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2bl5 h LYS 111 CO 0.08 0.85 -0.94 0.52 -2.27 0.00 0.00 179.45 177.68 2bl5 h MET 112 N 1.18 0.32 -0.14 1.90 2.86 0.34 0.02 114.93 121.43 2bl5 h MET 112 Ca 0.30 -0.37 -0.18 0.00 -2.06 0.00 0.00 59.70 57.39 2bl5 h MET 112 Cb 0.01 0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 2bl5 h MET 112 CO -0.05 1.06 -0.66 -0.22 1.06 0.00 0.00 176.91 178.10 2bl5 h LYS 113 N 0.18 0.54 0.00 1.72 1.63 -1.03 0.12 116.57 119.72 2bl5 h LYS 113 Ca -0.07 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2bl5 h LYS 113 Cb 1.58 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.28 2bl5 h LYS 113 CO 0.16 1.02 -0.09 1.25 -3.45 0.00 0.00 179.45 178.33 2bl5 h LEU 114 N 0.39 0.00 0.00 5.20 5.85 -1.22 -3.40 115.31 122.13 2bl5 h LEU 114 Ca -0.02 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 2bl5 h LEU 114 Cb 1.24 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2bl5 h LEU 114 CO 0.12 0.27 -1.72 0.80 -0.34 0.00 0.00 178.44 177.58 2bl5 n MET 115 N -3.27 0.56 0.06 1.25 1.56 -0.23 -4.28 117.12 112.78 2bl5 n MET 115 Ca -0.01 0.40 0.04 0.00 -0.27 0.00 0.00 57.70 57.86 2bl5 n MET 115 Cb 0.05 -1.60 0.23 0.00 2.15 0.00 0.00 33.22 34.05 2bl5 n MET 115 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2bl5 n GLU 116 N -4.38 0.05 0.19 2.12 -0.58 -0.17 0.23 120.64 118.10 2bl5 n GLU 116 Ca -0.38 0.55 0.03 0.00 -0.42 0.00 0.00 57.16 56.95 2bl5 n GLU 116 Cb 0.71 -1.68 0.40 0.00 -0.57 0.00 0.00 31.44 30.30 2bl5 n GLU 116 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2bl5 h LEU 117 N 0.00 0.03 0.00 -4.62 7.12 -0.94 -3.42 115.31 113.48 2bl5 h LEU 117 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 2bl5 h LEU 117 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 2bl5 h LEU 117 CO 0.00 0.33 0.00 0.00 -0.13 0.00 0.00 178.44 178.64 2bl5 n ALA 118 N -2.48 3.00 0.00 1.25 0.00 0.46 -5.02 120.51 117.72 2bl5 n ALA 118 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2bl5 n ALA 118 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -3.45 0.00 -2.53 0.00 5.41 0.14 -4.69 119.36 114.24 2bl5 n ILE 119 Ca 0.00 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.34 2bl5 n ILE 119 Cb 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 38.92 2bl5 n ILE 119 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2bl5 s LEU 120 N 0.00 3.73 -0.11 1.39 2.01 -1.26 -4.75 118.68 119.69 2bl5 s LEU 120 Ca 0.00 -2.24 0.03 0.00 0.01 0.00 0.00 54.13 51.93 2bl5 s LEU 120 Cb 0.00 -2.58 0.26 0.00 0.01 0.00 0.00 46.19 43.88 2bl5 s LEU 120 CO 0.00 -1.38 1.08 -0.46 1.01 0.00 0.00 176.35 176.60 2bl5 n ASN 121 N 9.00 2.88 0.00 2.29 0.23 -1.26 -4.58 115.26 123.82 2bl5 n ASN 121 Ca 0.47 -2.41 0.00 0.00 -0.53 0.00 0.00 54.58 52.10 2bl5 n ASN 121 Cb 0.47 -0.59 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 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 0.10 1.62 3.96 4.83 0.00 -1.26 -5.11 105.19 109.33 2bl5 n GLY 122 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2bl5 n GLY 122 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bl5 s THR 123 N -1.93 2.43 -0.18 2.61 2.01 -1.26 -4.97 115.64 114.34 2bl5 s THR 123 Ca 0.00 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 2bl5 s THR 123 Cb 0.00 -2.91 0.09 0.00 0.01 0.00 0.00 72.50 69.69 2bl5 s THR 123 CO 0.00 0.00 0.36 -0.72 -0.69 0.00 0.00 174.62 173.57 2bl5 s TYR 124 N -3.01 -0.66 0.02 4.92 1.13 -1.26 -4.20 117.35 114.29 2bl5 s TYR 124 Ca 0.60 1.21 -0.22 0.00 -1.41 0.00 0.00 57.07 57.26 2bl5 s TYR 124 Cb -0.09 0.13 -0.12 0.00 -1.10 0.00 0.00 41.96 40.78 2bl5 s TYR 124 CO 0.42 -0.47 1.18 0.00 -2.51 0.00 0.00 175.55 174.17 2bl5 h ARG 125 N 8.22 -0.76 0.00 -3.49 2.47 -2.00 -3.48 114.38 115.34 2bl5 h ARG 125 Ca -0.16 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2bl5 h ARG 125 Cb 1.12 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 2bl5 h ARG 125 CO 0.15 -0.51 0.00 -3.47 0.56 0.00 0.00 179.97 176.70 2bl5 n ASP 126 N -4.39 0.00 0.00 7.04 2.03 -1.26 -4.92 116.55 115.05 2bl5 n ASP 126 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2bl5 n ASP 126 Cb 0.31 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 2bl5 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bl5 n ALA 127 N -0.02 0.00 0.17 -1.67 0.00 -1.26 -4.66 120.51 113.08 2bl5 n ALA 127 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 2bl5 n ALA 127 Cb 0.00 0.00 0.49 0.00 0.00 0.00 0.00 19.45 19.94 2bl5 n ALA 127 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bl5 n ASN 128 N 0.02 0.48 -0.90 0.00 4.13 -1.26 -2.97 115.26 114.76 2bl5 n ASN 128 Ca 0.00 0.71 0.00 0.00 1.68 0.00 0.00 54.58 56.97 2bl5 n ASN 128 Cb 0.00 -0.78 0.00 0.00 -1.54 0.00 0.00 39.78 37.46 2bl5 n ASN 128 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2bl5 n LEU 129 N -2.13 1.50 0.00 3.41 -0.00 -1.26 -4.76 117.00 113.76 2bl5 n LEU 129 Ca -0.01 -0.75 0.00 0.00 -0.00 0.00 0.00 56.01 55.25 2bl5 n LEU 129 Cb 0.05 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.19 2bl5 n LEU 129 CO 0.09 0.26 0.00 2.29 -0.00 0.00 0.00 177.39 180.04 2bl5 n LYS 130 N 0.61 0.73 -2.91 1.47 2.85 -1.16 -5.04 118.16 114.71 2bl5 n LYS 130 Ca 0.00 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 2bl5 n LYS 130 Cb 0.26 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.59 2bl5 n LYS 130 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2bl5 s SER 131 N -1.00 7.27 0.00 -5.58 0.01 -1.26 -4.89 113.70 108.26 2bl5 s SER 131 Ca 0.00 1.52 0.00 0.00 1.31 0.00 0.00 55.95 58.78 2bl5 s SER 131 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2bl5 s SER 131 CO 0.00 -0.03 0.92 -2.65 0.41 0.00 0.00 173.24 171.90 2bl5 n PRO 132 N 2.91 0.64 0.00 12.44 -0.02 -1.26 -1.84 135.00 147.87 2bl5 n PRO 132 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2bl5 n PRO 132 Cb 0.50 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 2bl5 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bl5 n ALA 133 N 1.12 0.59 -0.04 3.55 0.00 -1.26 -4.93 120.51 119.54 2bl5 n ALA 133 Ca 0.00 -0.26 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 2bl5 n ALA 133 Cb 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 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 0.00 1.47 0.00 0.00 4.77 -0.77 -5.26 117.00 117.21 2bl5 n LEU 134 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2bl5 n LEU 134 Cb 0.40 -0.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2bl5 n LEU 134 CO 0.00 -0.43 0.00 1.57 -1.33 0.00 0.00 177.39 177.20