#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 2.81 -0.04 2.61 2.96 0.59 -4.99 118.68 122.62 2bl5 s LEU 2 Ca 0.00 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2bl5 s LEU 2 Cb 0.00 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.08 2bl5 s LEU 2 CO 0.00 0.25 -0.15 -1.10 -1.32 0.00 0.00 176.35 174.03 2bl5 s GLN 3 N -0.15 1.57 -0.11 1.98 -0.21 -1.26 -0.57 119.66 120.92 2bl5 s GLN 3 Ca -0.00 -0.53 0.03 0.00 0.02 0.00 0.00 55.36 54.88 2bl5 s GLN 3 Cb -0.13 -1.38 -0.01 0.00 1.00 0.00 0.00 33.01 32.49 2bl5 s GLN 3 CO 0.03 0.21 -0.20 -1.21 -2.12 0.00 0.00 175.29 171.99 2bl5 s GLU 4 N 0.09 3.14 -0.25 2.91 2.02 -0.67 -4.98 118.70 120.96 2bl5 s GLU 4 Ca -0.04 -0.82 -0.03 0.00 0.02 0.00 0.00 54.97 54.11 2bl5 s GLU 4 Cb -0.11 -2.40 0.02 0.00 0.10 0.00 0.00 34.13 31.74 2bl5 s GLU 4 CO 0.02 0.20 -0.04 0.15 0.02 0.00 0.00 175.26 175.61 2bl5 s LYS 5 N 0.32 2.98 -0.57 1.61 3.01 -1.26 -1.46 119.74 124.36 2bl5 s LYS 5 Ca -0.16 -0.89 -0.09 0.00 -1.01 0.00 0.00 55.97 53.82 2bl5 s LYS 5 Cb -0.17 -3.03 0.15 0.00 -1.01 0.00 0.00 37.83 33.77 2bl5 s LYS 5 CO 0.08 -0.36 0.45 -0.51 0.51 0.00 0.00 175.35 175.51 2bl5 s LEU 6 N 1.38 5.82 0.35 3.17 1.43 0.16 -4.95 118.68 126.03 2bl5 s LEU 6 Ca 0.02 -2.25 -0.28 0.00 -1.03 0.00 0.00 54.13 50.58 2bl5 s LEU 6 Cb -0.16 -2.02 -0.11 0.00 0.03 0.00 0.00 46.19 43.93 2bl5 s LEU 6 CO -0.04 -0.61 1.39 -0.31 0.23 0.00 0.00 176.35 177.02 2bl5 s TYR 7 N 0.85 2.84 -0.21 0.29 2.02 -1.26 -1.67 117.35 120.22 2bl5 s TYR 7 Ca 0.10 1.29 -0.04 0.00 -0.37 0.00 0.00 57.07 58.05 2bl5 s TYR 7 Cb -0.22 -3.84 0.09 0.00 -0.40 0.00 0.00 41.96 37.59 2bl5 s TYR 7 CO -0.03 -2.40 0.22 0.54 -1.57 0.00 0.00 175.55 172.31 2bl5 s VAL 8 N -1.08 -0.31 -0.82 0.71 0.11 -1.09 -4.91 120.40 113.00 2bl5 s VAL 8 Ca 0.51 -0.14 -0.25 0.00 -2.93 0.00 0.00 61.98 59.17 2bl5 s VAL 8 Cb -0.43 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2bl5 s VAL 8 CO 0.57 -0.23 1.55 -2.16 -3.33 0.00 0.00 175.10 171.51 2bl5 s PRO 9 N 2.32 3.09 0.54 1.54 0.04 -1.26 -4.42 135.00 136.85 2bl5 s PRO 9 Ca 0.07 -0.34 0.32 0.00 0.04 0.00 0.00 61.00 61.08 2bl5 s PRO 9 Cb -0.16 -4.71 1.43 0.00 0.04 0.00 0.00 34.50 31.10 2bl5 s PRO 9 CO -0.13 -2.49 2.02 -0.24 0.04 0.00 0.00 177.00 176.21 2bl5 h VAL 10 N 6.63 0.25 0.00 -0.36 3.04 -1.85 0.05 116.25 124.01 2bl5 h VAL 10 Ca -0.07 -0.59 -0.07 0.00 -1.01 0.00 0.00 66.70 64.97 2bl5 h VAL 10 Cb 1.05 1.46 -0.01 0.00 -2.01 0.00 0.00 31.29 31.79 2bl5 h VAL 10 CO 1.30 0.08 -0.32 0.07 -1.01 0.00 0.00 177.57 177.69 2bl5 h LYS 11 N 0.00 0.00 0.10 4.17 2.10 -1.94 -2.82 116.57 118.17 2bl5 h LYS 11 Ca -0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 2bl5 h LYS 11 Cb 0.46 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2bl5 h LYS 11 CO 0.01 0.32 -1.20 0.93 -2.00 0.00 0.00 179.45 177.51 2bl5 h GLU 12 N 0.00 0.20 -3.16 0.07 4.39 -1.39 -3.40 114.58 111.29 2bl5 h GLU 12 Ca -0.00 -0.35 -0.63 0.00 0.34 0.00 0.00 59.36 58.73 2bl5 h GLU 12 Cb 0.75 0.13 -0.42 0.00 -0.10 0.00 0.00 28.75 29.12 2bl5 h GLU 12 CO 0.04 1.16 -0.59 0.71 -1.16 0.00 0.00 179.01 179.17 2bl5 s TYR 13 N -2.67 3.45 0.20 4.33 1.51 -0.83 -4.91 117.35 118.43 2bl5 s TYR 13 Ca -0.03 -3.29 0.30 0.00 -1.01 0.00 0.00 57.07 53.04 2bl5 s TYR 13 Cb 0.08 -2.72 1.31 0.00 -0.11 0.00 0.00 41.96 40.51 2bl5 s TYR 13 CO 0.87 -0.60 1.97 -1.00 -1.11 0.00 0.00 175.55 175.68 2bl5 h PRO 14 N 5.69 0.00 -0.01 -1.71 0.13 -1.78 -2.60 132.00 131.72 2bl5 h PRO 14 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2bl5 h PRO 14 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2bl5 h PRO 14 CO 0.71 0.09 -0.33 -0.25 -0.23 0.00 0.00 178.00 177.99 2bl5 n ASP 15 N -3.27 1.28 -4.05 1.44 9.92 -1.26 -4.70 116.55 115.90 2bl5 n ASP 15 Ca -0.00 -1.05 -0.32 0.00 -0.53 0.00 0.00 54.79 52.89 2bl5 n ASP 15 Cb 0.32 0.24 -0.15 0.00 -0.64 0.00 0.00 41.12 40.89 2bl5 n ASP 15 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2bl5 s PHE 16 N -2.51 3.41 -0.58 1.24 5.36 -0.98 -4.92 117.98 119.00 2bl5 s PHE 16 Ca 0.22 -2.52 -0.26 0.00 -0.96 0.00 0.00 56.93 53.41 2bl5 s PHE 16 Cb 0.19 -2.22 0.04 0.00 -0.34 0.00 0.00 43.02 40.69 2bl5 s PHE 16 CO 0.54 -0.90 1.06 0.54 -1.46 0.00 0.00 175.22 175.00 2bl5 s ASN 17 N 1.04 6.37 0.39 6.13 6.03 -1.26 -4.82 114.94 128.82 2bl5 s ASN 17 Ca -0.03 -0.20 0.16 0.00 -1.03 0.00 0.00 52.86 51.75 2bl5 s ASN 17 Cb -0.20 -2.49 0.80 0.00 -3.03 0.00 0.00 41.25 36.34 2bl5 s ASN 17 CO -0.06 -1.37 1.83 -0.26 -2.03 0.00 0.00 177.10 175.22 2bl5 h PHE 18 N 9.45 0.00 0.08 1.54 0.04 -1.95 0.45 116.94 126.55 2bl5 h PHE 18 Ca -0.26 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.51 2bl5 h PHE 18 Cb 1.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.22 2bl5 h PHE 18 CO 0.98 0.35 -0.04 0.28 -0.60 0.00 0.00 178.31 179.28 2bl5 h VAL 19 N 0.00 1.20 0.00 -0.55 2.07 -1.89 0.73 116.25 117.81 2bl5 h VAL 19 Ca -0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.34 2bl5 h VAL 19 Cb 0.68 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 2bl5 h VAL 19 CO 0.05 0.28 0.00 0.61 0.02 0.00 0.00 177.57 178.53 2bl5 n GLY 20 N 0.38 -0.85 0.10 2.17 0.00 -1.04 -1.34 105.19 104.61 2bl5 n GLY 20 Ca -0.08 0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.02 0.62 0.15 1.61 0.63 0.15 -3.19 116.66 114.63 2bl5 n ARG 21 Ca -0.00 0.11 -0.12 0.00 -0.92 0.00 0.00 57.85 56.91 2bl5 n ARG 21 Cb 0.07 -1.43 -0.07 0.00 0.45 0.00 0.00 32.46 31.47 2bl5 n ARG 21 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2bl5 h ILE 22 N 0.00 0.60 0.00 5.15 1.08 0.89 -3.37 117.51 121.87 2bl5 h ILE 22 Ca -0.47 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 2bl5 h ILE 22 Cb 1.77 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.43 2bl5 h ILE 22 CO -0.06 0.12 -1.42 0.00 -0.69 0.00 0.00 178.15 176.10 2bl5 n LEU 23 N -5.11 0.24 0.00 1.44 -0.00 -0.45 -3.06 117.00 110.06 2bl5 n LEU 23 Ca -0.09 -0.16 0.00 0.00 -0.00 0.00 0.00 56.01 55.76 2bl5 n LEU 23 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.69 2bl5 n LEU 23 CO 0.28 0.06 0.10 0.61 -0.00 0.00 0.00 177.39 178.44 2bl5 n GLY 24 N 1.51 -1.91 0.04 1.47 0.00 -0.54 -1.34 105.19 104.42 2bl5 n GLY 24 Ca -0.01 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.35 0.32 -0.38 1.61 -0.05 -1.25 -4.39 135.00 130.51 2bl5 n PRO 25 Ca 0.00 0.01 0.08 0.00 -0.05 0.00 0.00 63.50 63.53 2bl5 n PRO 25 Cb 0.00 -1.61 0.23 0.00 -0.05 0.00 0.00 33.50 32.07 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 -2.02 2.96 -0.01 0.54 5.12 -1.25 -4.67 116.66 117.33 2bl5 n ARG 26 Ca 0.02 -2.62 0.24 0.00 -1.93 0.00 0.00 57.85 53.56 2bl5 n ARG 26 Cb 0.45 -1.68 0.70 0.00 -1.16 0.00 0.00 32.46 30.76 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 1.94 0.00 0.00 -0.13 0.00 -1.13 0.20 103.07 103.95 2bl5 h GLY 27 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.54 2bl5 h GLY 27 CO 0.16 0.00 0.57 1.41 0.00 0.00 0.00 176.54 178.69 2bl5 h LEU 28 N 0.00 0.69 -0.67 3.11 3.38 -1.84 -1.56 115.31 118.41 2bl5 h LEU 28 Ca 0.29 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.36 2bl5 h LEU 28 Cb 1.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 2bl5 h LEU 28 CO -0.00 0.18 0.35 0.00 0.09 0.00 0.00 178.44 179.06 2bl5 h THR 29 N 0.65 1.22 -0.75 0.22 1.03 -1.25 0.00 112.91 114.03 2bl5 h THR 29 Ca 0.60 -0.58 -0.03 0.00 -0.01 0.00 0.00 66.41 66.39 2bl5 h THR 29 Cb 1.02 0.36 -0.03 0.00 -1.07 0.00 0.00 68.15 68.43 2bl5 h THR 29 CO -0.43 0.25 0.36 0.00 -0.01 0.00 0.00 175.52 175.68 2bl5 h ALA 30 N 1.17 0.96 -0.21 0.00 0.00 -1.45 -1.46 119.26 118.26 2bl5 h ALA 30 Ca 0.23 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2bl5 h ALA 30 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2bl5 h ALA 30 CO -0.03 0.53 -0.41 0.87 0.00 0.00 0.00 179.25 180.20 2bl5 h LYS 31 N 1.05 0.50 -0.15 0.00 1.57 -1.19 -2.66 116.57 115.69 2bl5 h LYS 31 Ca 0.26 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 2bl5 h LYS 31 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2bl5 h LYS 31 CO -0.03 0.83 -0.41 1.96 -0.57 0.00 0.00 179.45 181.22 2bl5 h GLN 32 N 0.41 0.35 -0.22 3.15 1.08 -0.45 -1.50 115.11 117.93 2bl5 h GLN 32 Ca 0.03 -0.17 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 2bl5 h GLN 32 Cb 0.90 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2bl5 h GLN 32 CO 0.08 0.70 -0.19 -0.07 -0.95 0.00 0.00 178.83 178.40 2bl5 h LEU 33 N 0.29 0.54 -0.56 1.46 3.38 -1.04 0.81 115.31 120.19 2bl5 h LEU 33 Ca 0.03 -0.46 -0.14 0.00 0.09 0.00 0.00 57.88 57.39 2bl5 h LEU 33 Cb 0.85 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2bl5 h LEU 33 CO 0.07 0.89 -0.40 1.05 0.09 0.00 0.00 178.44 180.15 2bl5 h GLU 34 N 0.20 0.71 -0.37 1.13 4.11 -1.14 0.41 114.58 119.64 2bl5 h GLU 34 Ca 0.04 -0.37 -0.07 0.00 0.07 0.00 0.00 59.36 59.03 2bl5 h GLU 34 Cb 0.73 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2bl5 h GLU 34 CO 0.05 0.98 -0.04 0.00 0.07 0.00 0.00 179.01 180.08 2bl5 h ALA 35 N 0.97 0.50 0.00 1.06 0.00 -1.18 -2.59 119.26 118.01 2bl5 h ALA 35 Ca 0.05 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2bl5 h ALA 35 Cb 0.94 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2bl5 h ALA 35 CO 0.09 0.30 -0.83 0.93 0.00 0.00 0.00 179.25 179.74 2bl5 h GLU 36 N 0.48 0.00 0.00 0.00 5.08 -0.74 -3.39 114.58 116.02 2bl5 h GLU 36 Ca 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2bl5 h GLU 36 Cb 0.52 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2bl5 h GLU 36 CO 0.03 0.71 -0.10 1.79 -1.00 0.00 0.00 179.01 180.43 2bl5 h THR 37 N -1.00 0.20 0.00 1.13 1.35 -0.34 -3.46 112.91 110.79 2bl5 h THR 37 Ca -0.20 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 2bl5 h THR 37 Cb 1.00 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2bl5 h THR 37 CO -0.12 0.10 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 2bl5 n GLY 38 N 0.78 0.65 3.40 5.82 0.00 -0.98 -4.72 105.19 110.15 2bl5 n GLY 38 Ca 0.03 0.00 -0.37 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 1.57 3.40 -0.55 0.00 2.20 -0.55 -2.43 119.74 123.38 2bl5 s LYS 40 Ca 0.05 -0.72 -0.28 0.00 -0.36 0.00 0.00 55.97 54.66 2bl5 s LYS 40 Cb -0.15 -4.81 0.03 0.00 -1.51 0.00 0.00 37.83 31.38 2bl5 s LYS 40 CO 0.02 -2.18 1.23 -1.50 -0.36 0.00 0.00 175.35 172.57 2bl5 s ILE 41 N 5.31 4.00 -0.11 5.43 2.07 -1.26 -2.55 121.20 134.09 2bl5 s ILE 41 Ca 0.41 0.91 -0.01 0.00 -1.41 0.00 0.00 60.65 60.55 2bl5 s ILE 41 Cb -0.04 -4.64 -0.03 0.00 0.13 0.00 0.00 42.46 37.89 2bl5 s ILE 41 CO 0.02 -1.24 -0.08 0.00 -1.91 0.00 0.00 174.94 171.73 2bl5 s MET 42 N 4.98 3.15 0.13 3.50 0.23 0.98 -4.88 119.30 127.39 2bl5 s MET 42 Ca 0.46 -0.58 -0.30 0.00 -1.03 0.00 0.00 55.69 54.24 2bl5 s MET 42 Cb -0.08 -2.68 -0.07 0.00 -1.53 0.00 0.00 34.83 30.46 2bl5 s MET 42 CO 0.27 0.43 1.25 0.14 -2.03 0.00 0.00 175.02 175.08 2bl5 s VAL 43 N -0.19 3.64 -0.04 5.16 -7.23 -1.26 -1.48 120.40 119.00 2bl5 s VAL 43 Ca 0.02 1.26 0.06 0.00 -1.81 0.00 0.00 61.98 61.51 2bl5 s VAL 43 Cb -0.13 -3.80 -0.01 0.00 0.56 0.00 0.00 36.38 32.99 2bl5 s VAL 43 CO 0.03 0.14 -0.22 -0.13 -0.31 0.00 0.00 175.10 174.61 2bl5 s ARG 44 N 0.49 2.04 0.00 4.82 0.52 0.53 -4.65 118.95 122.70 2bl5 s ARG 44 Ca 0.58 -0.78 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 2bl5 s ARG 44 Cb -0.33 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2bl5 s ARG 44 CO 0.33 0.38 0.00 0.41 0.02 0.00 0.00 175.30 176.44 2bl5 n GLY 45 N 2.84 0.15 3.58 -3.53 0.00 -0.27 0.49 105.19 108.45 2bl5 n GLY 45 Ca -0.17 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 2bl5 n GLY 45 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bl5 s LYS 46 N 0.00 2.86 0.00 1.61 2.47 -1.03 -3.69 119.74 121.97 2bl5 s LYS 46 Ca 0.00 1.49 0.00 0.00 -1.56 0.00 0.00 55.97 55.90 2bl5 s LYS 46 Cb 0.00 -4.38 0.00 0.00 -1.46 0.00 0.00 37.83 31.99 2bl5 s LYS 46 CO 0.00 -2.42 0.00 0.41 0.16 0.00 0.00 175.35 173.50 2bl5 n GLY 47 N 5.71 1.47 0.36 5.54 0.00 -1.26 -4.68 105.19 112.34 2bl5 n GLY 47 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.16 2bl5 n GLY 47 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bl5 h SER 48 N 0.00 -0.74 -0.35 1.61 0.02 -1.83 -3.34 113.55 108.92 2bl5 h SER 48 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 2bl5 h SER 48 Cb 0.00 0.19 -0.25 0.00 0.14 0.00 0.00 62.40 62.48 2bl5 h SER 48 CO 0.00 -0.37 -0.74 0.23 -1.14 0.00 0.00 176.83 174.81 2bl5 n MET 49 N -5.37 2.29 0.00 3.45 2.81 -1.26 -4.91 117.12 114.14 2bl5 n MET 49 Ca -0.12 -3.56 0.00 0.00 -1.81 0.00 0.00 57.70 52.21 2bl5 n MET 49 Cb 0.36 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 2bl5 n MET 49 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2bl5 n ARG 50 N -0.75 0.14 -2.01 0.03 3.00 -1.26 -4.79 116.66 111.03 2bl5 n ARG 50 Ca 0.27 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.71 2bl5 n ARG 50 Cb 0.86 -1.26 -0.02 0.00 0.00 0.00 0.00 32.46 32.04 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 0.12 6.65 0.28 6.15 1.01 -1.26 -4.91 116.67 124.71 2bl5 s ASP 51 Ca 0.00 2.65 0.02 0.00 0.71 0.00 0.00 52.55 55.94 2bl5 s ASP 51 Cb 0.00 -2.62 0.41 0.00 1.01 0.00 0.00 42.92 41.72 2bl5 s ASP 51 CO 0.00 -0.71 1.72 0.11 0.21 0.00 0.00 175.17 176.49 2bl5 h LYS 52 N 5.23 0.47 -0.10 8.23 1.57 -1.99 -0.28 116.57 129.70 2bl5 h LYS 52 Ca -0.46 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.10 2bl5 h LYS 52 Cb 1.22 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2bl5 h LYS 52 CO 0.79 0.70 -0.11 1.57 -0.57 0.00 0.00 179.45 181.83 2bl5 h LYS 53 N 0.42 0.15 -0.01 3.15 2.10 -1.96 -1.38 116.57 119.03 2bl5 h LYS 53 Ca 0.06 -0.03 -0.12 0.00 -2.00 0.00 0.00 60.65 58.56 2bl5 h LYS 53 Cb 0.68 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.97 2bl5 h LYS 53 CO 0.05 0.27 -0.57 0.87 -2.00 0.00 0.00 179.45 178.07 2bl5 h LYS 54 N 0.15 0.05 0.00 0.07 1.57 -1.39 -1.75 116.57 115.26 2bl5 h LYS 54 Ca 0.03 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2bl5 h LYS 54 Cb 0.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2bl5 h LYS 54 CO 0.02 0.61 -0.12 0.93 -0.57 0.00 0.00 179.45 180.32 2bl5 h GLU 55 N 0.04 0.00 0.00 3.15 5.08 -0.38 0.52 114.58 122.99 2bl5 h GLU 55 Ca -0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2bl5 h GLU 55 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2bl5 h GLU 55 CO 0.08 0.12 -0.40 0.93 -1.00 0.00 0.00 179.01 178.74 2bl5 h GLU 56 N 0.00 0.00 0.00 2.33 5.08 -0.95 -3.37 114.58 117.67 2bl5 h GLU 56 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 2bl5 h GLU 56 Cb 0.70 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2bl5 h GLU 56 CO 0.02 0.60 -2.09 0.00 -1.00 0.00 0.00 179.01 176.53 2bl5 n GLN 57 N -4.61 1.29 -0.36 2.33 -0.00 -0.71 -4.38 117.38 110.94 2bl5 n GLN 57 Ca -0.13 0.01 0.10 0.00 -0.00 0.00 0.00 57.00 56.98 2bl5 n GLN 57 Cb 0.38 -1.41 0.28 0.00 -0.00 0.00 0.00 30.24 29.50 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 -2.66 3.82 -4.63 2.61 5.15 0.37 -4.99 115.26 114.92 2bl5 n ASN 58 Ca -0.27 -2.09 -0.43 0.00 -0.60 0.00 0.00 54.58 51.19 2bl5 n ASN 58 Cb 0.99 -0.44 -0.00 0.00 -0.53 0.00 0.00 39.78 39.80 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 1.22 1.58 -0.24 1.20 1.85 0.16 -1.90 116.66 120.53 2bl5 n ARG 59 Ca 0.21 0.56 0.00 0.00 -1.00 0.00 0.00 57.85 57.62 2bl5 n ARG 59 Cb 0.62 -2.06 0.00 0.00 -1.05 0.00 0.00 32.46 29.97 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 1.07 1.84 3.93 2.89 0.00 -1.26 -5.04 105.19 108.62 2bl5 n GLY 60 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.24 2.61 0.19 1.61 3.01 -0.80 -4.58 119.74 121.55 2bl5 s LYS 61 Ca 0.00 -0.16 0.16 0.00 -1.01 0.00 0.00 55.97 54.97 2bl5 s LYS 61 Cb 0.00 -2.25 0.63 0.00 -1.01 0.00 0.00 37.83 35.20 2bl5 s LYS 61 CO 0.00 -0.91 0.60 -2.30 0.51 0.00 0.00 175.35 173.26 2bl5 n PRO 62 N -2.69 -0.01 -0.20 -1.68 -0.02 -1.26 0.93 135.00 130.06 2bl5 n PRO 62 Ca 0.06 0.45 -0.09 0.00 -2.02 0.00 0.00 63.50 61.90 2bl5 n PRO 62 Cb 0.59 -0.96 0.02 0.00 -0.02 0.00 0.00 33.50 33.13 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 0.93 0.79 2.55 -0.00 -1.91 -1.40 115.58 116.54 2bl5 h ASN 63 Ca 0.35 -0.27 0.00 0.00 -0.00 0.00 0.00 56.30 56.39 2bl5 h ASN 63 Cb 1.30 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 39.37 2bl5 h ASN 63 CO -0.08 0.97 -1.02 0.79 -0.00 0.00 0.00 177.43 178.09 2bl5 n TRP 64 N -4.31 0.69 0.15 4.14 7.02 0.26 -2.08 117.44 123.32 2bl5 n TRP 64 Ca 0.03 0.20 -0.15 0.00 -1.02 0.00 0.00 57.50 56.56 2bl5 n TRP 64 Cb 0.28 -0.77 -0.07 0.00 -2.42 0.00 0.00 31.31 28.32 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 -0.65 -0.12 -0.99 4.81 -0.59 -3.17 114.58 113.87 2bl5 h GLU 65 Ca 0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2bl5 h GLU 65 Cb 0.90 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.43 2bl5 h GLU 65 CO 0.00 -0.44 0.00 -2.39 -0.73 0.00 0.00 179.01 175.45 2bl5 n HIS 66 N -5.46 0.14 0.26 0.92 1.44 -0.58 -4.04 115.22 107.89 2bl5 n HIS 66 Ca -0.08 -0.07 0.11 0.00 -2.01 0.00 0.00 57.72 55.68 2bl5 n HIS 66 Cb 0.37 0.00 0.55 0.00 0.12 0.00 0.00 29.99 31.03 2bl5 n HIS 66 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2bl5 n LEU 67 N 1.10 0.61 -0.12 2.39 7.94 -0.89 -1.11 117.00 126.92 2bl5 n LEU 67 Ca 0.16 0.72 0.13 0.00 -1.11 0.00 0.00 56.01 55.92 2bl5 n LEU 67 Cb 0.54 -0.73 0.47 0.00 0.53 0.00 0.00 43.42 44.22 2bl5 n LEU 67 CO 0.15 -0.80 0.73 0.59 -1.11 0.00 0.00 177.39 176.95 2bl5 n ASN 68 N -2.26 0.61 -4.97 1.96 3.02 -1.26 -4.31 115.26 108.06 2bl5 n ASN 68 Ca -0.00 -0.51 -0.19 0.00 -0.03 0.00 0.00 54.58 53.85 2bl5 n ASN 68 Cb 0.11 0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 2bl5 n ASN 68 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2bl5 s GLU 69 N -2.64 3.12 0.32 3.52 0.41 -0.63 -5.03 118.70 117.77 2bl5 s GLU 69 Ca 0.22 -1.01 -0.27 0.00 -0.41 0.00 0.00 54.97 53.51 2bl5 s GLU 69 Cb 0.19 -2.79 -0.09 0.00 -1.78 0.00 0.00 34.13 29.65 2bl5 s GLU 69 CO 0.54 0.12 1.00 0.34 -0.49 0.00 0.00 175.26 176.77 2bl5 s ASP 70 N -4.13 7.23 -0.02 -0.19 2.15 -1.26 -2.45 116.67 118.00 2bl5 s ASP 70 Ca 0.43 1.99 -0.35 0.00 0.43 0.00 0.00 52.55 55.05 2bl5 s ASP 70 Cb -0.09 -2.60 -0.13 0.00 -0.30 0.00 0.00 42.92 39.80 2bl5 s ASP 70 CO 0.30 -0.16 1.72 -0.11 -0.17 0.00 0.00 175.17 176.76 2bl5 n LEU 71 N 0.68 3.03 -3.99 -1.34 7.94 -1.26 -4.32 117.00 117.73 2bl5 n LEU 71 Ca 0.01 1.03 -0.10 0.00 -1.11 0.00 0.00 56.01 55.85 2bl5 n LEU 71 Cb 0.48 -1.34 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 2bl5 n LEU 71 CO 0.47 -0.27 -0.03 -1.38 -1.11 0.00 0.00 177.39 175.07 2bl5 s HIS 72 N 2.70 0.47 -0.11 1.96 -3.43 0.18 -2.67 115.29 114.39 2bl5 s HIS 72 Ca 0.88 -0.82 -0.04 0.00 -0.80 0.00 0.00 55.06 54.28 2bl5 s HIS 72 Cb -0.76 -0.09 -0.04 0.00 -1.43 0.00 0.00 32.58 30.26 2bl5 s HIS 72 CO 0.49 -0.73 0.06 0.14 -2.00 0.00 0.00 174.74 172.70 2bl5 s VAL 73 N -3.99 4.77 -0.08 -5.38 -7.23 -0.67 -0.35 120.40 107.47 2bl5 s VAL 73 Ca 0.19 -0.07 -0.01 0.00 -1.81 0.00 0.00 61.98 60.28 2bl5 s VAL 73 Cb 0.03 -3.05 0.03 0.00 0.56 0.00 0.00 36.38 33.95 2bl5 s VAL 73 CO 0.02 0.59 -0.01 -0.22 -0.31 0.00 0.00 175.10 175.17 2bl5 s LEU 74 N -0.74 0.70 -0.48 1.32 0.20 -0.55 0.35 118.68 119.49 2bl5 s LEU 74 Ca 0.12 -0.15 -0.26 0.00 0.69 0.00 0.00 54.13 54.53 2bl5 s LEU 74 Cb -0.12 -0.51 0.03 0.00 -0.43 0.00 0.00 46.19 45.17 2bl5 s LEU 74 CO 0.03 -0.19 0.98 0.27 -0.29 0.00 0.00 176.35 177.15 2bl5 s ILE 75 N 1.93 4.39 -0.46 6.68 -4.36 -0.54 -0.01 121.20 128.84 2bl5 s ILE 75 Ca 0.05 0.79 -0.15 0.00 -0.26 0.00 0.00 60.65 61.08 2bl5 s ILE 75 Cb -0.12 -4.49 0.06 0.00 1.25 0.00 0.00 42.46 39.15 2bl5 s ILE 75 CO -0.06 -0.92 0.37 -0.89 0.24 0.00 0.00 174.94 173.68 2bl5 s THR 76 N 3.96 5.20 -0.14 8.37 2.01 -1.06 -1.67 115.64 132.32 2bl5 s THR 76 Ca 0.39 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.42 2bl5 s THR 76 Cb -0.10 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.36 2bl5 s THR 76 CO 0.27 -0.51 -0.19 0.54 -0.69 0.00 0.00 174.62 174.03 2bl5 s VAL 77 N 1.64 2.34 -0.76 3.82 0.11 0.27 -1.48 120.40 126.35 2bl5 s VAL 77 Ca 0.04 -0.89 -0.17 0.00 -2.93 0.00 0.00 61.98 58.03 2bl5 s VAL 77 Cb -0.23 -1.95 0.15 0.00 -1.53 0.00 0.00 36.38 32.81 2bl5 s VAL 77 CO 0.07 0.54 0.84 -1.61 -3.33 0.00 0.00 175.10 171.61 2bl5 s GLU 78 N 0.73 3.37 0.07 1.54 2.02 -1.26 -0.30 118.70 124.87 2bl5 s GLU 78 Ca -0.08 -1.79 -0.27 0.00 0.02 0.00 0.00 54.97 52.85 2bl5 s GLU 78 Cb -0.16 -4.50 0.09 0.00 0.10 0.00 0.00 34.13 29.66 2bl5 s GLU 78 CO 0.01 -1.53 1.06 0.34 0.02 0.00 0.00 175.26 175.16 2bl5 s ASP 79 N 3.20 -0.15 0.08 -0.19 2.15 -1.26 -5.02 116.67 115.48 2bl5 s ASP 79 Ca 0.19 -0.27 -0.36 0.00 0.43 0.00 0.00 52.55 52.54 2bl5 s ASP 79 Cb -0.15 0.37 -0.18 0.00 -0.30 0.00 0.00 42.92 42.66 2bl5 s ASP 79 CO -0.03 -0.67 1.57 0.00 -0.17 0.00 0.00 175.17 175.87 2bl5 h ALA 80 N 2.00 -1.19 0.00 3.66 0.00 -2.01 -3.41 119.26 118.31 2bl5 h ALA 80 Ca -0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2bl5 h ALA 80 Cb 1.22 0.67 0.00 0.00 0.00 0.00 0.00 17.79 19.68 2bl5 h ALA 80 CO 0.27 -1.20 0.00 0.94 0.00 0.00 0.00 179.25 179.26 2bl5 n GLN 81 N -5.59 0.00 -0.11 0.00 7.27 -1.26 -4.96 117.38 112.73 2bl5 n GLN 81 Ca -0.13 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 56.84 2bl5 n GLN 81 Cb 0.48 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.06 2bl5 n GLN 81 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2bl5 h ASN 82 N 0.00 -1.34 0.03 1.69 -0.73 -1.98 0.24 115.58 113.50 2bl5 h ASN 82 Ca 0.00 0.18 -0.00 0.00 1.87 0.00 0.00 56.30 58.35 2bl5 h ASN 82 Cb 0.00 0.55 0.00 0.00 0.27 0.00 0.00 38.32 39.14 2bl5 h ASN 82 CO 0.00 -0.28 -0.01 0.08 -0.37 0.00 0.00 177.43 176.85 2bl5 h ARG 83 N -0.26 -0.04 0.45 6.67 0.11 -1.99 -2.49 114.38 116.82 2bl5 h ARG 83 Ca 0.05 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.12 2bl5 h ARG 83 Cb 0.41 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2bl5 h ARG 83 CO -0.44 0.37 -0.21 0.00 0.10 0.00 0.00 179.97 179.79 2bl5 h ALA 84 N 0.48 -0.60 -0.58 0.08 0.00 -1.82 -2.96 119.26 113.86 2bl5 h ALA 84 Ca -0.00 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.78 2bl5 h ALA 84 Cb 0.43 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2bl5 h ALA 84 CO 0.01 -0.73 0.39 1.05 0.00 0.00 0.00 179.25 179.97 2bl5 h GLU 85 N -0.83 0.56 -0.95 0.00 -0.00 -0.60 0.18 114.58 112.94 2bl5 h GLU 85 Ca -0.06 -0.03 0.02 0.00 -0.00 0.00 0.00 59.36 59.29 2bl5 h GLU 85 Cb 0.56 -0.13 -0.05 0.00 -0.00 0.00 0.00 28.75 29.13 2bl5 h GLU 85 CO 0.10 0.37 0.62 1.25 -0.00 0.00 0.00 179.01 181.35 2bl5 h LEU 86 N 0.57 1.06 -0.12 3.06 5.85 -1.33 0.42 115.31 124.82 2bl5 h LEU 86 Ca 0.25 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 2bl5 h LEU 86 Cb 0.26 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2bl5 h LEU 86 CO -0.07 0.74 -0.25 0.50 -0.34 0.00 0.00 178.44 179.02 2bl5 h LYS 87 N 1.24 0.38 -0.10 1.25 1.63 -0.49 -2.74 116.57 117.73 2bl5 h LYS 87 Ca 0.36 -0.25 -0.16 0.00 -0.85 0.00 0.00 60.65 59.76 2bl5 h LYS 87 Cb -0.07 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 2bl5 h LYS 87 CO -0.10 0.85 -0.62 1.37 -3.45 0.00 0.00 179.45 177.50 2bl5 h LEU 88 N -0.05 0.41 -0.69 5.20 -0.00 -1.11 -2.69 115.31 116.37 2bl5 h LEU 88 Ca 0.00 -0.24 -0.13 0.00 -0.00 0.00 0.00 57.88 57.52 2bl5 h LEU 88 Cb 0.85 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.38 2bl5 h LEU 88 CO 0.06 0.93 -0.37 0.07 -0.00 0.00 0.00 178.44 179.12 2bl5 h LYS 89 N 0.26 0.58 -0.24 0.17 5.09 -0.20 0.66 116.57 122.90 2bl5 h LYS 89 Ca -0.01 -0.28 -0.15 0.00 0.09 0.00 0.00 60.65 60.30 2bl5 h LYS 89 Cb 1.15 -0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.47 2bl5 h LYS 89 CO 0.10 0.87 -0.48 0.07 -2.09 0.00 0.00 179.45 177.92 2bl5 h ARG 90 N 0.48 0.63 -0.19 0.07 -0.00 -1.49 0.11 114.38 113.99 2bl5 h ARG 90 Ca 0.05 -0.36 -0.06 0.00 -0.00 0.00 0.00 59.98 59.61 2bl5 h ARG 90 Cb 0.87 0.03 -0.00 0.00 -0.00 0.00 0.00 29.97 30.86 2bl5 h ARG 90 CO 0.07 0.97 -0.10 0.00 -0.00 0.00 0.00 179.97 180.91 2bl5 h ALA 91 N 0.97 0.27 0.00 0.08 0.00 -1.12 -2.71 119.26 116.76 2bl5 h ALA 91 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 2bl5 h ALA 91 Cb 1.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2bl5 h ALA 91 CO 0.10 0.11 -0.28 -0.24 0.00 0.00 0.00 179.25 178.93 2bl5 h VAL 92 N 0.10 0.93 -0.27 0.00 3.04 0.38 -1.51 116.25 118.92 2bl5 h VAL 92 Ca 0.04 -1.07 -0.07 0.00 -1.01 0.00 0.00 66.70 64.59 2bl5 h VAL 92 Cb 0.60 1.63 -0.02 0.00 -2.01 0.00 0.00 31.29 31.49 2bl5 h VAL 92 CO 0.03 0.28 -0.15 -0.33 -1.01 0.00 0.00 177.57 176.39 2bl5 h GLU 93 N 0.00 0.46 -0.24 4.17 5.08 -0.65 0.42 114.58 123.82 2bl5 h GLU 93 Ca -0.00 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2bl5 h GLU 93 Cb 0.60 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2bl5 h GLU 93 CO 0.04 0.61 0.02 0.93 -1.00 0.00 0.00 179.01 179.60 2bl5 h GLU 94 N 0.42 0.35 -0.18 2.33 4.39 -0.96 -1.29 114.58 119.65 2bl5 h GLU 94 Ca 0.08 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 2bl5 h GLU 94 Cb 0.51 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2bl5 h GLU 94 CO 0.03 0.37 -0.44 0.28 -1.16 0.00 0.00 179.01 178.09 2bl5 h VAL 95 N 0.34 1.31 -0.54 3.13 2.07 -0.59 -1.52 116.25 120.46 2bl5 h VAL 95 Ca 0.08 -1.61 0.12 0.00 0.82 0.00 0.00 66.70 66.11 2bl5 h VAL 95 Cb 0.21 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2bl5 h VAL 95 CO 0.00 0.50 0.37 0.11 0.02 0.00 0.00 177.57 178.57 2bl5 h LYS 96 N 0.35 0.17 0.04 1.57 1.57 0.91 0.88 116.57 122.07 2bl5 h LYS 96 Ca 0.03 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.54 2bl5 h LYS 96 Cb 0.91 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.19 2bl5 h LYS 96 CO 0.08 0.12 -1.07 -0.22 -0.57 0.00 0.00 179.45 177.79 2bl5 h LYS 97 N 0.18 0.51 -0.14 3.15 3.64 -0.98 -3.36 116.57 119.57 2bl5 h LYS 97 Ca 0.25 -0.61 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 2bl5 h LYS 97 Cb 0.76 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2bl5 h LYS 97 CO -0.04 1.23 -0.40 -0.07 -2.27 0.00 0.00 179.45 177.91 2bl5 h LEU 98 N 0.26 0.59 0.00 5.20 3.38 0.36 -3.14 115.31 121.97 2bl5 h LEU 98 Ca -0.12 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2bl5 h LEU 98 Cb 1.72 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2bl5 h LEU 98 CO 0.19 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.80 2bl5 n LEU 99 N -4.30 0.00 -4.69 1.67 -0.00 0.28 -4.66 117.00 105.30 2bl5 n LEU 99 Ca -0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.52 2bl5 n LEU 99 Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.93 2bl5 n LEU 99 CO 0.45 0.00 0.88 -0.69 -0.00 0.00 0.00 177.39 178.02 2bl5 s VAL 100 N -2.00 4.46 -2.00 1.47 1.01 -1.19 -4.89 120.40 117.26 2bl5 s VAL 100 Ca 0.11 1.77 0.08 0.00 0.00 0.00 0.00 61.98 63.94 2bl5 s VAL 100 Cb 0.05 -4.13 0.22 0.00 0.00 0.00 0.00 36.38 32.52 2bl5 s VAL 100 CO 0.09 0.02 0.89 -0.81 0.00 0.00 0.00 175.10 175.28 2bl5 n PRO 101 N 4.99 0.31 -2.21 2.72 -0.04 -1.26 -4.80 135.00 134.71 2bl5 n PRO 101 Ca 0.10 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 2bl5 n PRO 101 Cb 0.47 -1.40 -0.01 0.00 -0.04 0.00 0.00 33.50 32.53 2bl5 n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bl5 n ALA 102 N -0.90 -0.41 -3.31 0.55 0.00 -1.26 -2.25 120.51 112.93 2bl5 n ALA 102 Ca 0.06 0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.39 2bl5 n ALA 102 Cb 0.03 -1.68 0.06 0.00 0.00 0.00 0.00 19.45 17.85 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 -1.47 -1.14 -2.53 0.00 0.00 -1.26 -5.01 120.51 109.10 2bl5 n ALA 103 Ca -0.17 0.35 -0.15 0.00 0.00 0.00 0.00 53.44 53.47 2bl5 n ALA 103 Cb 0.62 -4.70 -0.11 0.00 0.00 0.00 0.00 19.45 15.26 2bl5 n ALA 103 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2bl5 s GLU 104 N -6.01 0.82 0.00 0.00 2.12 -0.95 -4.07 118.70 110.61 2bl5 s GLU 104 Ca 0.45 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2bl5 s GLU 104 Cb -0.20 -0.56 0.00 0.00 0.26 0.00 0.00 34.13 33.64 2bl5 s GLU 104 CO 0.55 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.77 2bl5 n GLY 105 N 0.70 2.26 3.54 -1.50 0.00 -1.26 -4.83 105.19 104.10 2bl5 n GLY 105 Ca -0.17 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2bl5 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bl5 s GLU 106 N 0.00 3.20 0.37 1.61 0.41 -1.26 -4.88 118.70 118.14 2bl5 s GLU 106 Ca 0.00 -0.54 0.10 0.00 -0.41 0.00 0.00 54.97 54.12 2bl5 s GLU 106 Cb 0.00 -2.74 0.86 0.00 -1.78 0.00 0.00 34.13 30.47 2bl5 s GLU 106 CO 0.00 0.46 1.87 0.38 -0.49 0.00 0.00 175.26 177.48 2bl5 h ASP 107 N 5.96 0.61 1.19 -0.19 2.03 -1.98 -1.30 116.42 122.75 2bl5 h ASP 107 Ca -0.40 0.04 -0.04 0.00 -0.73 0.00 0.00 57.03 55.91 2bl5 h ASP 107 Cb 1.18 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 39.60 2bl5 h ASP 107 CO 0.57 0.30 -0.18 0.77 -1.03 0.00 0.00 179.24 179.67 2bl5 h SER 108 N 0.64 0.00 -0.27 4.15 4.64 -1.98 -2.41 113.55 118.33 2bl5 h SER 108 Ca 0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.69 2bl5 h SER 108 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 2bl5 h SER 108 CO -0.20 0.18 -0.14 -0.07 -0.87 0.00 0.00 176.83 175.73 2bl5 h LEU 109 N 0.00 0.60 0.00 5.97 3.38 -1.51 -2.80 115.31 120.95 2bl5 h LEU 109 Ca -0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2bl5 h LEU 109 Cb 0.83 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2bl5 h LEU 109 CO 0.02 0.88 -0.30 0.50 0.09 0.00 0.00 178.44 179.63 2bl5 h LYS 110 N 0.31 0.00 -0.21 1.13 1.63 -1.59 -3.34 116.57 114.51 2bl5 h LYS 110 Ca 0.06 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 2bl5 h LYS 110 Cb 0.66 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 2bl5 h LYS 110 CO 0.04 0.11 -0.02 0.87 -3.45 0.00 0.00 179.45 177.00 2bl5 h LYS 111 N -1.00 0.39 0.00 1.90 6.56 -1.59 -2.95 116.57 119.87 2bl5 h LYS 111 Ca -0.02 -0.13 -0.10 0.00 -1.06 0.00 0.00 60.65 59.34 2bl5 h LYS 111 Cb 0.36 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 2bl5 h LYS 111 CO -0.01 0.60 -0.46 0.52 -2.06 0.00 0.00 179.45 178.04 2bl5 h MET 112 N 0.13 0.00 -0.09 3.15 2.86 -1.66 0.13 114.93 119.45 2bl5 h MET 112 Ca 0.06 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.48 2bl5 h MET 112 Cb 0.44 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.11 2bl5 h MET 112 CO 0.02 0.46 -0.81 -0.22 1.06 0.00 0.00 176.91 177.42 2bl5 h LYS 113 N 0.00 0.60 0.00 1.72 1.63 -1.62 -0.77 116.57 118.13 2bl5 h LYS 113 Ca -0.00 -0.52 0.00 0.00 -0.85 0.00 0.00 60.65 59.27 2bl5 h LYS 113 Cb 1.04 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2bl5 h LYS 113 CO 0.06 1.14 -0.31 -0.11 -3.45 0.00 0.00 179.45 176.78 2bl5 n LEU 114 N -3.87 0.77 -0.06 5.20 7.94 -1.11 -4.40 117.00 121.47 2bl5 n LEU 114 Ca -0.07 0.26 -0.18 0.00 -1.11 0.00 0.00 56.01 54.92 2bl5 n LEU 114 Cb 0.76 -0.62 -0.13 0.00 0.53 0.00 0.00 43.42 43.96 2bl5 n LEU 114 CO 0.51 -0.45 -0.08 -0.03 -1.11 0.00 0.00 177.39 176.23 2bl5 h MET 115 N -0.41 0.05 0.00 1.96 4.05 -1.09 -3.33 114.93 116.17 2bl5 h MET 115 Ca 0.00 -0.09 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 2bl5 h MET 115 Cb 0.31 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2bl5 h MET 115 CO 0.00 1.04 0.00 0.39 0.23 0.00 0.00 176.91 178.57 2bl5 n GLU 116 N -4.41 0.13 0.17 0.39 -0.58 0.04 -3.11 120.64 113.26 2bl5 n GLU 116 Ca -0.20 0.30 -0.10 0.00 -0.42 0.00 0.00 57.16 56.74 2bl5 n GLU 116 Cb 0.64 -1.72 -0.05 0.00 -0.57 0.00 0.00 31.44 29.74 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 -0.43 -6.00 -4.62 7.12 -1.24 -3.48 115.31 106.67 2bl5 h LEU 117 Ca 0.00 -0.06 0.29 0.00 0.13 0.00 0.00 57.88 58.24 2bl5 h LEU 117 Cb 0.40 0.11 -0.20 0.00 -0.53 0.00 0.00 40.66 40.44 2bl5 h LEU 117 CO 0.00 0.01 0.21 0.00 -0.13 0.00 0.00 178.44 178.53 2bl5 s ALA 118 N -4.02 -4.21 -0.12 1.25 0.00 -1.18 -5.07 121.76 108.41 2bl5 s ALA 118 Ca -0.10 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.11 2bl5 s ALA 118 Cb 0.01 -2.77 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 2bl5 s ALA 118 CO 0.31 -1.81 0.23 0.82 0.00 0.00 0.00 175.76 175.31 2bl5 h ILE 119 N 4.60 0.57 -0.74 0.00 2.04 -1.80 -3.35 117.51 118.83 2bl5 h ILE 119 Ca -0.10 -1.43 -0.72 0.00 1.00 0.00 0.00 64.86 63.60 2bl5 h ILE 119 Cb 1.18 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 38.25 2bl5 h ILE 119 CO -0.21 0.19 2.75 0.18 0.00 0.00 0.00 178.15 181.06 2bl5 n LEU 120 N -4.72 7.52 -0.75 1.44 7.99 -1.26 -4.60 117.00 122.63 2bl5 n LEU 120 Ca -0.04 -4.55 0.11 0.00 -0.01 0.00 0.00 56.01 51.53 2bl5 n LEU 120 Cb 0.16 -1.50 0.32 0.00 -0.11 0.00 0.00 43.42 42.29 2bl5 n LEU 120 CO 0.11 1.65 0.75 -0.46 -1.51 0.00 0.00 177.39 177.93 2bl5 n ASN 121 N 3.70 2.25 0.00 -1.43 0.23 -1.26 -4.88 115.26 113.86 2bl5 n ASN 121 Ca 0.57 -1.80 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 2bl5 n ASN 121 Cb 0.31 -0.13 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 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 1.25 0.87 0.19 4.83 0.00 -1.26 -4.95 105.19 106.12 2bl5 n GLY 122 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 1.13 -3.47 2.61 2.02 -1.90 -3.34 112.91 109.96 2bl5 h THR 123 Ca 0.00 -0.26 -0.66 0.00 0.77 0.00 0.00 66.41 66.26 2bl5 h THR 123 Cb 0.00 0.53 -0.39 0.00 -1.74 0.00 0.00 68.15 66.55 2bl5 h THR 123 CO 0.00 0.12 -0.58 -0.31 0.37 0.00 0.00 175.52 175.13 2bl5 s TYR 124 N -6.07 3.35 -0.67 3.16 2.02 -1.26 -4.89 117.35 113.00 2bl5 s TYR 124 Ca -0.13 -3.00 0.24 0.00 -0.37 0.00 0.00 57.07 53.81 2bl5 s TYR 124 Cb 0.11 -2.95 0.31 0.00 -0.40 0.00 0.00 41.96 39.03 2bl5 s TYR 124 CO 0.73 -0.81 1.27 0.54 -1.57 0.00 0.00 175.55 175.72 2bl5 n ARG 125 N 3.45 0.27 0.00 -0.62 1.74 -1.26 -3.82 116.66 116.43 2bl5 n ARG 125 Ca 0.05 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 57.16 2bl5 n ARG 125 Cb 0.35 -1.65 -0.11 0.00 -1.02 0.00 0.00 32.46 30.03 2bl5 n ARG 125 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2bl5 n ASP 126 N -2.03 0.74 0.01 0.55 5.75 -1.26 -3.62 116.55 116.70 2bl5 n ASP 126 Ca 0.03 0.33 0.07 0.00 -0.01 0.00 0.00 54.79 55.21 2bl5 n ASP 126 Cb 0.43 0.26 0.30 0.00 -1.03 0.00 0.00 41.12 41.08 2bl5 n ASP 126 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bl5 n ALA 127 N -2.47 1.60 0.08 2.12 0.00 -1.25 -1.71 120.51 118.88 2bl5 n ALA 127 Ca -0.14 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.37 2bl5 n ALA 127 Cb 0.92 -1.23 0.57 0.00 0.00 0.00 0.00 19.45 19.71 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 0.20 -3.62 0.00 -1.24 -1.69 -3.38 115.58 105.85 2bl5 h ASN 128 Ca 0.00 -0.00 -0.65 0.00 0.71 0.00 0.00 56.30 56.35 2bl5 h ASN 128 Cb 0.23 -0.04 -0.23 0.00 0.73 0.00 0.00 38.32 39.01 2bl5 h ASN 128 CO 0.00 0.13 -0.63 -0.76 -1.29 0.00 0.00 177.43 174.88 2bl5 s LEU 129 N -9.18 3.47 0.00 0.34 2.01 -0.69 -5.10 118.68 109.53 2bl5 s LEU 129 Ca -0.06 -0.29 -0.03 0.00 0.01 0.00 0.00 54.13 53.75 2bl5 s LEU 129 Cb 0.18 -1.91 0.04 0.00 0.01 0.00 0.00 46.19 44.51 2bl5 s LEU 129 CO 0.71 -0.06 0.22 2.29 1.01 0.00 0.00 176.35 180.52 2bl5 n LYS 130 N 4.91 -0.39 -1.53 1.70 -0.00 -1.26 -4.90 118.16 116.70 2bl5 n LYS 130 Ca -0.16 -0.34 -0.54 0.00 -0.00 0.00 0.00 58.31 57.28 2bl5 n LYS 130 Cb 0.51 -0.24 -0.07 0.00 -0.00 0.00 0.00 35.03 35.23 2bl5 n LYS 130 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2bl5 n SER 131 N -3.17 2.15 0.05 -5.58 7.64 -1.26 -4.84 113.62 108.61 2bl5 n SER 131 Ca 0.03 0.69 -0.14 0.00 1.01 0.00 0.00 58.87 60.46 2bl5 n SER 131 Cb 0.10 -1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 62.07 2bl5 n SER 131 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2bl5 h PRO 132 N 10.15 0.49 -1.71 1.43 0.11 -2.03 -3.41 132.00 137.03 2bl5 h PRO 132 Ca -0.33 -0.48 -0.36 0.00 0.11 0.00 0.00 66.00 64.94 2bl5 h PRO 132 Cb 1.33 0.12 -0.27 0.00 0.11 0.00 0.00 31.00 32.29 2bl5 h PRO 132 CO 1.00 1.12 -0.72 0.00 -0.21 0.00 0.00 178.00 179.19 2bl5 s ALA 133 N -3.42 -0.41 -0.24 -0.75 0.00 -1.26 -5.04 121.76 110.64 2bl5 s ALA 133 Ca -0.07 -1.34 -0.01 0.00 0.00 0.00 0.00 51.96 50.54 2bl5 s ALA 133 Cb 0.09 -2.15 0.00 0.00 0.00 0.00 0.00 23.12 21.06 2bl5 s ALA 133 CO 0.87 -2.11 0.02 1.28 0.00 0.00 0.00 175.76 175.82 2bl5 n LEU 134 N 3.12 -6.71 0.00 0.00 4.77 -1.26 -5.30 117.00 111.62 2bl5 n LEU 134 Ca 0.22 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.42 2bl5 n LEU 134 Cb 0.51 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 2bl5 n LEU 134 CO 0.04 -2.65 0.00 1.57 -1.33 0.00 0.00 177.39 175.02