#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1blj n SER 2 N 0.00 -1.23 -4.29 1.61 3.41 -1.26 -5.16 113.62 106.70 1blj n SER 2 Ca 0.00 -1.83 -0.22 0.00 -0.26 0.00 0.00 58.87 56.56 1blj n SER 2 Cb 0.00 0.85 -0.10 0.00 -0.26 0.00 0.00 64.21 64.71 1blj n SER 2 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1blj s VAL 3 N 0.08 0.84 0.16 -3.33 -7.23 -1.26 -5.09 120.40 104.57 1blj s VAL 3 Ca 0.08 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1blj s VAL 3 Cb 0.18 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.53 1blj s VAL 3 CO -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.75 1blj n ALA 4 N -0.75 3.00 -2.26 1.32 0.00 -1.26 -5.06 120.51 115.51 1blj n ALA 4 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1blj n ALA 4 Cb 0.66 0.01 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 1blj n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1blj s PRO 5 N -1.55 3.84 0.03 0.00 0.04 -1.26 -4.79 135.00 131.31 1blj s PRO 5 Ca 0.00 1.45 -0.01 0.00 0.04 0.00 0.00 61.00 62.48 1blj s PRO 5 Cb 0.00 -3.97 -0.00 0.00 0.04 0.00 0.00 34.50 30.57 1blj s PRO 5 CO 0.00 -1.23 -0.02 0.28 0.04 0.00 0.00 177.00 176.07 1blj n VAL 6 N 6.34 0.60 -3.33 -0.36 0.31 -1.26 -5.08 118.33 115.55 1blj n VAL 6 Ca 0.17 0.21 -0.12 0.00 -0.01 0.00 0.00 64.34 64.59 1blj n VAL 6 Cb 0.46 -1.35 0.02 0.00 -0.91 0.00 0.00 33.84 32.05 1blj n VAL 6 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1blj n GLU 7 N -3.03 -1.46 0.00 5.55 4.07 -1.26 -5.00 120.64 119.51 1blj n GLU 7 Ca -0.01 1.11 0.00 0.00 -0.06 0.00 0.00 57.16 58.20 1blj n GLU 7 Cb 0.03 -4.79 0.00 0.00 -0.06 0.00 0.00 31.44 26.62 1blj n GLU 7 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1blj n THR 8 N -2.50 0.00 0.00 6.31 -1.04 -1.26 -4.94 114.28 110.85 1blj n THR 8 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1blj n THR 8 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 1blj n THR 8 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1blj n LEU 9 N 0.00 0.00 0.00 -4.42 7.99 -1.26 -2.29 117.00 117.02 1blj n LEU 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1blj n LEU 9 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1blj n LEU 9 CO 0.00 0.00 0.21 -0.62 -1.51 0.00 0.00 177.39 175.47 1blj n GLU 10 N 0.00 0.12 0.25 3.23 1.02 -1.26 -4.67 120.64 119.33 1blj n GLU 10 Ca 0.00 -0.49 0.12 0.00 -0.02 0.00 0.00 57.16 56.77 1blj n GLU 10 Cb 0.00 -0.76 0.67 0.00 -0.02 0.00 0.00 31.44 31.33 1blj n GLU 10 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1blj h VAL 11 N 0.78 0.58 -1.62 2.62 -1.51 -1.78 -3.46 116.25 111.86 1blj h VAL 11 Ca 0.00 -0.65 -0.52 0.00 -1.23 0.00 0.00 66.70 64.29 1blj h VAL 11 Cb 0.40 1.43 0.24 0.00 -2.13 0.00 0.00 31.29 31.23 1blj h VAL 11 CO 0.00 0.14 -2.15 -0.62 -1.23 0.00 0.00 177.57 173.71 1blj n GLU 12 N -3.60 0.00 -0.05 5.19 -0.58 -1.26 -5.02 120.64 115.32 1blj n GLU 12 Ca -0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.69 1blj n GLU 12 Cb 0.28 -0.99 -0.11 0.00 -0.57 0.00 0.00 31.44 30.05 1blj n GLU 12 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1blj n LYS 13 N 2.46 1.49 0.12 3.49 4.76 -1.26 -4.41 118.16 124.82 1blj n LYS 13 Ca -0.02 -0.03 -0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1blj n LYS 13 Cb 0.62 -1.35 0.27 0.00 -1.84 0.00 0.00 35.03 32.74 1blj n LYS 13 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 1blj h TRP 14 N 0.00 0.22 -3.35 2.13 5.08 -1.87 -3.34 115.95 114.81 1blj h TRP 14 Ca -0.29 -0.05 -0.65 0.00 1.08 0.00 0.00 58.89 58.99 1blj h TRP 14 Cb 1.57 -0.05 -0.25 0.00 -3.00 0.00 0.00 29.16 27.44 1blj h TRP 14 CO 0.00 0.53 -0.71 0.12 -1.28 0.00 0.00 178.44 177.10 1blj s PHE 15 N -4.24 2.95 0.18 0.12 5.36 -1.26 -0.33 117.98 120.76 1blj s PHE 15 Ca -0.04 -0.57 -0.04 0.00 -0.96 0.00 0.00 56.93 55.32 1blj s PHE 15 Cb 0.14 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.81 1blj s PHE 15 CO 0.76 -0.24 0.18 -0.06 -1.46 0.00 0.00 175.22 174.40 1blj s PHE 16 N 0.72 0.82 0.00 10.12 0.08 -1.17 -4.51 117.98 124.04 1blj s PHE 16 Ca -0.03 -1.13 0.00 0.00 0.12 0.00 0.00 56.93 55.89 1blj s PHE 16 Cb -0.15 -0.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.96 1blj s PHE 16 CO 0.02 -0.67 0.10 0.54 -0.10 0.00 0.00 175.22 175.12 1blj n ARG 17 N -0.22 0.00 -2.73 0.44 1.74 -1.26 -4.41 116.66 110.21 1blj n ARG 17 Ca -0.02 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 1blj n ARG 17 Cb 0.64 -0.45 0.07 0.00 -1.02 0.00 0.00 32.46 31.70 1blj n ARG 17 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1blj n THR 18 N -0.21 0.00 -1.41 0.55 5.66 -1.26 0.47 114.28 118.08 1blj n THR 18 Ca 0.00 -1.41 -0.30 0.00 -3.05 0.00 0.00 64.05 59.28 1blj n THR 18 Cb 0.00 1.46 0.09 0.00 -1.55 0.00 0.00 70.33 70.33 1blj n THR 18 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1blj s ILE 19 N 0.48 3.26 0.72 1.09 2.07 -1.26 -4.93 121.20 122.63 1blj s ILE 19 Ca 0.28 0.41 -0.12 0.00 -1.41 0.00 0.00 60.65 59.81 1blj s ILE 19 Cb 0.25 -3.03 0.03 0.00 0.13 0.00 0.00 42.46 39.84 1blj s ILE 19 CO -0.17 -0.54 1.08 -0.55 -1.91 0.00 0.00 174.94 172.86 1blj s SER 20 N -3.65 4.94 0.33 4.50 0.15 -1.26 -4.86 113.70 113.84 1blj s SER 20 Ca 0.61 1.80 0.08 0.00 0.70 0.00 0.00 55.95 59.14 1blj s SER 20 Cb -0.16 -2.52 0.78 0.00 -1.71 0.00 0.00 66.02 62.41 1blj s SER 20 CO 0.55 -1.74 1.81 -0.09 1.20 0.00 0.00 173.24 174.97 1blj h ARG 21 N -0.68 0.71 0.00 5.44 2.43 -2.00 -1.11 114.38 119.17 1blj h ARG 21 Ca -0.44 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 58.59 1blj h ARG 21 Cb 1.23 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1blj h ARG 21 CO 0.54 0.47 -0.45 1.57 -1.51 0.00 0.00 179.97 180.58 1blj h LYS 22 N 0.73 0.00 -0.25 0.20 -0.00 -2.00 -3.14 116.57 112.11 1blj h LYS 22 Ca 0.54 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 61.02 1blj h LYS 22 Cb 0.88 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.11 1blj h LYS 22 CO -0.31 0.45 -0.54 -0.44 -0.00 0.00 0.00 179.45 178.61 1blj h ASP 23 N 0.00 0.82 0.61 7.07 3.32 -1.57 -2.00 116.42 124.67 1blj h ASP 23 Ca -0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1blj h ASP 23 Cb 1.13 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 1blj h ASP 23 CO 0.06 1.20 -0.14 0.00 -1.72 0.00 0.00 179.24 178.63 1blj h ALA 24 N 0.82 1.14 0.03 3.45 0.00 -1.46 -1.86 119.26 121.39 1blj h ALA 24 Ca 0.01 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1blj h ALA 24 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1blj h ALA 24 CO 0.11 0.18 -0.99 0.93 0.00 0.00 0.00 179.25 179.48 1blj h GLU 25 N 0.00 0.24 -0.24 0.00 5.08 -1.41 -3.17 114.58 115.08 1blj h GLU 25 Ca -0.00 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1blj h GLU 25 Cb 0.48 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1blj h GLU 25 CO 0.02 1.05 0.05 0.07 -1.00 0.00 0.00 179.01 179.21 1blj h ARG 26 N 0.12 0.33 0.32 2.33 0.11 -0.61 -1.45 114.38 115.53 1blj h ARG 26 Ca -0.07 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.95 1blj h ARG 26 Cb 1.65 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.67 1blj h ARG 26 CO 0.16 0.32 -0.15 1.96 0.10 0.00 0.00 179.97 182.35 1blj h GLN 27 N 0.33 -0.41 -0.45 0.08 1.08 -1.53 -3.18 115.11 111.03 1blj h GLN 27 Ca 0.08 0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.21 1blj h GLN 27 Cb 0.14 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1blj h GLN 27 CO -0.00 -0.09 -0.11 -0.07 -0.95 0.00 0.00 178.83 177.61 1blj h LEU 28 N -0.81 0.87 -1.38 1.46 3.38 -1.49 -2.60 115.31 114.74 1blj h LEU 28 Ca -0.04 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1blj h LEU 28 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1blj h LEU 28 CO 0.07 1.03 0.00 0.18 0.09 0.00 0.00 178.44 179.81 1blj n LEU 29 N -4.27 0.57 -4.66 1.67 4.77 -0.56 -4.50 117.00 110.02 1blj n LEU 29 Ca -0.00 0.76 -0.40 0.00 -0.03 0.00 0.00 56.01 56.34 1blj n LEU 29 Cb 0.38 -0.82 0.03 0.00 -2.33 0.00 0.00 43.42 40.68 1blj n LEU 29 CO 0.44 -0.93 0.72 0.00 -1.33 0.00 0.00 177.39 176.29 1blj n ALA 30 N -1.78 0.72 0.71 -1.18 0.00 -0.98 -4.85 120.51 113.16 1blj n ALA 30 Ca -0.01 0.16 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1blj n ALA 30 Cb 0.05 -2.19 0.37 0.00 0.00 0.00 0.00 19.45 17.68 1blj n ALA 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1blj n PRO 31 N -0.41 0.26 0.07 0.00 -0.04 -1.26 -2.25 135.00 131.36 1blj n PRO 31 Ca 0.10 0.12 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1blj n PRO 31 Cb 0.43 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.28 1blj n PRO 31 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 1blj h MET 32 N 0.00 0.02 -5.53 0.54 2.86 -1.89 -3.47 114.93 107.45 1blj h MET 32 Ca 0.00 -0.03 -0.64 0.00 -2.06 0.00 0.00 59.70 56.97 1blj h MET 32 Cb 0.10 0.01 -0.12 0.00 0.06 0.00 0.00 31.60 31.65 1blj h MET 32 CO 0.00 1.00 -0.52 -0.80 1.06 0.00 0.00 176.91 177.65 1blj s ASN 33 N -6.74 4.13 0.20 1.22 -0.87 -0.96 -4.93 114.94 107.00 1blj s ASN 33 Ca 0.01 -1.43 -0.15 0.00 -1.57 0.00 0.00 52.86 49.71 1blj s ASN 33 Cb 0.10 0.04 0.01 0.00 -0.02 0.00 0.00 41.25 41.38 1blj s ASN 33 CO 0.82 -0.69 0.47 -1.59 -2.57 0.00 0.00 177.10 173.54 1blj s LYS 34 N -3.86 1.38 0.01 -0.60 0.00 -1.26 -4.82 119.74 110.58 1blj s LYS 34 Ca 0.24 -1.01 -0.23 0.00 0.00 0.00 0.00 55.97 54.96 1blj s LYS 34 Cb 0.05 0.48 -0.12 0.00 0.00 0.00 0.00 37.83 38.24 1blj s LYS 34 CO 0.13 -0.57 0.61 0.00 0.00 0.00 0.00 175.35 175.52 1blj n ALA 35 N -0.32 -2.34 0.00 0.59 0.00 -1.23 -1.10 120.51 116.11 1blj n ALA 35 Ca -0.08 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1blj n ALA 35 Cb 0.62 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1blj n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1blj n GLY 36 N 0.89 2.96 3.61 0.00 0.00 -1.22 -4.56 105.19 106.87 1blj n GLY 36 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1blj n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1blj n SER 37 N 0.17 0.15 -2.73 1.61 3.41 -0.26 -1.62 113.62 114.35 1blj n SER 37 Ca 0.00 0.56 -0.14 0.00 -0.26 0.00 0.00 58.87 59.03 1blj n SER 37 Cb 0.00 -1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 62.50 1blj n SER 37 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1blj n PHE 38 N -3.11 -0.96 -3.68 7.33 3.01 -1.26 -3.65 117.46 115.14 1blj n PHE 38 Ca 0.12 -2.11 -0.11 0.00 1.01 0.00 0.00 57.45 56.36 1blj n PHE 38 Cb 0.51 0.35 -0.09 0.00 -0.01 0.00 0.00 39.48 40.23 1blj n PHE 38 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1blj s LEU 39 N 0.00 -0.23 -0.22 4.37 2.01 -0.98 -3.39 118.68 120.25 1blj s LEU 39 Ca 0.28 1.08 -0.04 0.00 0.01 0.00 0.00 54.13 55.46 1blj s LEU 39 Cb 0.00 1.73 0.07 0.00 0.01 0.00 0.00 46.19 48.01 1blj s LEU 39 CO 0.20 -0.20 0.09 -0.51 1.01 0.00 0.00 176.35 176.95 1blj s ILE 40 N 1.03 0.06 0.63 -0.59 2.07 0.56 -1.83 121.20 123.12 1blj s ILE 40 Ca -0.06 -0.47 -0.05 0.00 -1.41 0.00 0.00 60.65 58.66 1blj s ILE 40 Cb -0.06 -0.83 0.03 0.00 0.13 0.00 0.00 42.46 41.74 1blj s ILE 40 CO -0.09 -0.43 0.93 0.00 -1.91 0.00 0.00 174.94 173.44 1blj s ARG 41 N 2.06 2.60 0.02 3.50 3.03 -0.73 -3.04 118.95 126.37 1blj s ARG 41 Ca 0.04 -0.20 0.01 0.00 2.03 0.00 0.00 55.73 57.61 1blj s ARG 41 Cb -0.16 -2.26 -0.04 0.00 -1.03 0.00 0.00 34.95 31.46 1blj s ARG 41 CO -0.18 -0.91 0.07 -1.83 -1.13 0.00 0.00 175.30 171.33 1blj s GLU 42 N -5.06 3.00 -0.59 3.89 -1.05 0.18 0.45 118.70 119.51 1blj s GLU 42 Ca 0.57 -0.54 -0.26 0.00 -0.15 0.00 0.00 54.97 54.59 1blj s GLU 42 Cb -0.11 -2.81 0.04 0.00 -0.44 0.00 0.00 34.13 30.81 1blj s GLU 42 CO 0.44 0.63 1.06 0.45 0.95 0.00 0.00 175.26 178.78 1blj s SER 43 N -1.87 6.34 0.41 0.83 0.15 0.12 -4.56 113.70 115.13 1blj s SER 43 Ca 0.24 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.90 1blj s SER 43 Cb -0.12 -2.48 1.45 0.00 -1.71 0.00 0.00 66.02 63.15 1blj s SER 43 CO 0.15 -1.38 1.81 1.05 1.20 0.00 0.00 173.24 176.07 1blj h GLU 44 N 9.47 0.00 -0.01 5.44 4.11 -1.93 -1.74 114.58 129.93 1blj h GLU 44 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.17 1blj h GLU 44 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1blj h GLU 44 CO 1.15 0.00 -0.34 -1.13 0.07 0.00 0.00 179.01 178.76 1blj n SER 45 N -2.45 0.87 -1.11 3.06 3.41 -1.26 -4.98 113.62 111.16 1blj n SER 45 Ca -0.02 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1blj n SER 45 Cb 0.06 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1blj n SER 45 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1blj n ASN 46 N -0.92 1.95 -3.91 4.04 0.23 -0.65 -5.08 115.26 110.91 1blj n ASN 46 Ca 0.10 -0.56 -0.42 0.00 -0.53 0.00 0.00 54.58 53.17 1blj n ASN 46 Cb 0.34 0.00 0.01 0.00 -2.08 0.00 0.00 39.78 38.05 1blj n ASN 46 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1blj n LYS 47 N -0.01 4.65 -0.42 -3.83 0.00 -1.26 -4.75 118.16 112.54 1blj n LYS 47 Ca 0.00 -4.59 0.00 0.00 -0.00 0.00 0.00 58.31 53.72 1blj n LYS 47 Cb 0.00 -2.50 0.00 0.00 -0.00 0.00 0.00 35.03 32.53 1blj n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1blj n GLY 48 N 1.01 0.77 3.67 2.58 0.00 -1.26 -4.92 105.19 107.05 1blj n GLY 48 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1blj n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1blj s ALA 49 N -2.25 3.54 0.09 4.61 0.00 -1.26 -4.49 121.76 121.99 1blj s ALA 49 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1blj s ALA 49 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1blj s ALA 49 CO 0.00 -0.83 0.00 1.19 0.00 0.00 0.00 175.76 176.12 1blj n PHE 50 N 5.65 -2.89 -3.88 0.00 3.01 0.12 0.16 117.46 119.62 1blj n PHE 50 Ca 0.11 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.47 1blj n PHE 50 Cb 0.47 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.89 1blj n PHE 50 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1blj s SER 51 N -1.00 -0.12 -0.19 4.37 0.01 0.17 -3.20 113.70 113.74 1blj s SER 51 Ca 0.00 -0.73 -0.13 0.00 1.31 0.00 0.00 55.95 56.40 1blj s SER 51 Cb 0.00 0.54 0.06 0.00 0.21 0.00 0.00 66.02 66.83 1blj s SER 51 CO 0.00 -1.04 0.48 -0.22 0.41 0.00 0.00 173.24 172.87 1blj s LEU 52 N -2.94 -0.12 -0.13 2.44 2.96 -1.09 -1.78 118.68 118.01 1blj s LEU 52 Ca 0.15 1.02 0.02 0.00 -0.22 0.00 0.00 54.13 55.10 1blj s LEU 52 Cb 0.00 1.62 -0.00 0.00 0.50 0.00 0.00 46.19 48.31 1blj s LEU 52 CO 0.02 -0.19 -0.18 -0.44 -1.32 0.00 0.00 176.35 174.24 1blj s SER 53 N 0.98 3.53 0.00 3.68 0.01 -0.76 -1.01 113.70 120.13 1blj s SER 53 Ca -0.06 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1blj s SER 53 Cb -0.06 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.65 1blj s SER 53 CO -0.08 0.13 0.00 -0.69 0.41 0.00 0.00 173.24 173.01 1blj s VAL 54 N 0.53 0.04 -0.62 3.43 1.01 -1.11 -2.31 120.40 121.38 1blj s VAL 54 Ca -0.11 -0.36 -0.28 0.00 0.00 0.00 0.00 61.98 61.23 1blj s VAL 54 Cb -0.16 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.12 1blj s VAL 54 CO 0.04 -0.20 1.22 -0.75 0.00 0.00 0.00 175.10 175.42 1blj s LYS 55 N -0.57 3.43 -0.41 2.72 2.20 -1.24 -0.65 119.74 125.22 1blj s LYS 55 Ca -0.06 0.15 -0.23 0.00 -0.36 0.00 0.00 55.97 55.46 1blj s LYS 55 Cb -0.04 -4.06 0.02 0.00 -1.51 0.00 0.00 37.83 32.24 1blj s LYS 55 CO -0.00 -1.80 0.80 -0.51 -0.36 0.00 0.00 175.35 173.47 1blj s ASP 56 N 3.21 6.49 -0.14 1.43 1.11 -0.67 -3.54 116.67 124.56 1blj s ASP 56 Ca 0.42 0.15 -0.08 0.00 0.18 0.00 0.00 52.55 53.21 1blj s ASP 56 Cb -0.08 -2.40 -0.04 0.00 1.07 0.00 0.00 42.92 41.47 1blj s ASP 56 CO 0.23 -0.84 0.15 -0.63 1.18 0.00 0.00 175.17 175.26 1blj s ILE 57 N 3.24 5.45 0.26 0.77 1.01 -1.26 -1.58 121.20 129.09 1blj s ILE 57 Ca 0.31 0.23 -0.16 0.00 0.00 0.00 0.00 60.65 61.03 1blj s ILE 57 Cb -0.12 -3.44 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1blj s ILE 57 CO 0.20 0.55 0.58 0.28 0.00 0.00 0.00 174.94 176.55 1blj s THR 58 N -0.51 0.00 -1.96 2.92 -1.32 -1.26 -5.03 115.64 108.49 1blj s THR 58 Ca 0.13 -1.21 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1blj s THR 58 Cb -0.12 -2.09 0.01 0.00 -1.51 0.00 0.00 72.50 68.79 1blj s THR 58 CO 0.02 -0.01 0.98 1.07 -2.21 0.00 0.00 174.62 174.48 1blj n THR 59 N -0.41 0.01 -0.85 5.08 5.66 -1.26 -3.12 114.28 119.39 1blj n THR 59 Ca -0.03 -0.01 0.05 0.00 -3.05 0.00 0.00 64.05 61.01 1blj n THR 59 Cb 0.61 -0.02 0.07 0.00 -1.55 0.00 0.00 70.33 69.44 1blj n THR 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1blj n GLN 60 N -0.46 1.57 0.00 1.09 6.02 -1.26 -5.08 117.38 119.26 1blj n GLN 60 Ca 0.00 -1.93 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 1blj n GLN 60 Cb 0.02 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.11 1blj n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1blj n GLY 61 N -0.89 4.02 3.69 1.08 0.00 -1.18 -5.08 105.19 106.83 1blj n GLY 61 Ca 0.08 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 1blj n GLY 61 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1blj s GLU 62 N -5.24 4.34 0.00 1.61 2.12 -1.26 -4.10 118.70 116.17 1blj s GLU 62 Ca 0.00 1.80 0.00 0.00 0.36 0.00 0.00 54.97 57.13 1blj s GLU 62 Cb 0.00 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.87 1blj s GLU 62 CO 0.00 -0.46 0.00 1.33 -0.54 0.00 0.00 175.26 175.59 1blj n VAL 63 N 4.50 0.00 -3.08 3.70 0.24 -0.62 -5.04 118.33 118.04 1blj n VAL 63 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 1blj n VAL 63 Cb 0.45 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1blj n VAL 63 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1blj n VAL 64 N 0.00 0.00 -3.57 3.34 0.31 -1.26 -1.67 118.33 115.48 1blj n VAL 64 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1blj n VAL 64 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1blj n VAL 64 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1blj s LYS 65 N 0.77 0.58 -0.85 5.55 -0.14 0.18 -3.67 119.74 122.15 1blj s LYS 65 Ca 0.00 1.39 -0.12 0.00 -1.36 0.00 0.00 55.97 55.87 1blj s LYS 65 Cb 0.00 0.83 0.22 0.00 -1.68 0.00 0.00 37.83 37.20 1blj s LYS 65 CO 0.00 -0.27 0.79 -1.01 -0.76 0.00 0.00 175.35 174.10 1blj s HIS 66 N 2.89 3.81 0.62 3.18 3.76 -1.25 -2.75 115.29 125.56 1blj s HIS 66 Ca -0.02 -2.15 -0.10 0.00 -0.15 0.00 0.00 55.06 52.64 1blj s HIS 66 Cb -0.12 -3.77 -0.02 0.00 1.11 0.00 0.00 32.58 29.78 1blj s HIS 66 CO -0.19 -0.97 1.00 0.71 -0.85 0.00 0.00 174.74 174.44 1blj s TYR 67 N -0.07 3.50 -0.33 1.40 1.51 -0.18 -4.91 117.35 118.28 1blj s TYR 67 Ca 0.20 1.09 0.04 0.00 -1.01 0.00 0.00 57.07 57.39 1blj s TYR 67 Cb -0.11 -2.77 0.09 0.00 -0.11 0.00 0.00 41.96 39.07 1blj s TYR 67 CO -0.09 -0.79 0.03 -1.59 -1.11 0.00 0.00 175.55 172.01 1blj s LYS 68 N -5.15 1.52 -0.80 -0.62 0.00 -1.26 -2.67 119.74 110.75 1blj s LYS 68 Ca 0.55 -1.76 -0.19 0.00 0.00 0.00 0.00 55.97 54.57 1blj s LYS 68 Cb -0.11 -3.09 0.12 0.00 0.00 0.00 0.00 37.83 34.75 1blj s LYS 68 CO 0.51 -0.90 0.97 0.96 0.00 0.00 0.00 175.35 176.89 1blj s ILE 69 N 0.97 4.78 -0.04 3.79 -4.36 -1.19 -4.10 121.20 121.05 1blj s ILE 69 Ca 0.08 -1.34 -0.27 0.00 -0.26 0.00 0.00 60.65 58.86 1blj s ILE 69 Cb -0.19 -4.67 -0.03 0.00 1.25 0.00 0.00 42.46 38.82 1blj s ILE 69 CO -0.09 -1.36 0.86 -0.13 0.24 0.00 0.00 174.94 174.46 1blj s ARG 70 N 2.64 4.50 -0.29 0.37 3.00 -0.84 -0.70 118.95 127.62 1blj s ARG 70 Ca 0.25 1.18 -0.24 0.00 0.00 0.00 0.00 55.73 56.92 1blj s ARG 70 Cb -0.12 -3.46 0.00 0.00 0.00 0.00 0.00 34.95 31.37 1blj s ARG 70 CO -0.03 -0.02 0.82 -1.54 0.00 0.00 0.00 175.30 174.53 1blj s SER 71 N 0.93 6.72 -0.12 0.23 1.04 -1.26 -1.95 113.70 119.28 1blj s SER 71 Ca 0.45 0.76 -0.08 0.00 0.48 0.00 0.00 55.95 57.57 1blj s SER 71 Cb -0.19 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 1blj s SER 71 CO 0.23 -0.61 0.16 -0.76 0.98 0.00 0.00 173.24 173.24 1blj s LEU 72 N 2.99 4.37 0.54 2.42 2.01 -0.39 -4.85 118.68 125.77 1blj s LEU 72 Ca 0.34 0.47 0.30 0.00 0.01 0.00 0.00 54.13 55.24 1blj s LEU 72 Cb -0.14 -2.11 1.56 0.00 0.01 0.00 0.00 46.19 45.51 1blj s LEU 72 CO 0.12 0.36 2.11 -2.24 1.01 0.00 0.00 176.35 177.71 1blj h ASP 73 N 5.24 0.00 0.00 2.29 2.03 -1.96 -2.61 116.42 121.42 1blj h ASP 73 Ca -0.52 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.78 1blj h ASP 73 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 1blj h ASP 73 CO 0.61 0.09 0.00 -0.46 -1.03 0.00 0.00 179.24 178.45 1blj n ASN 74 N -3.55 0.98 0.00 4.15 0.23 -1.26 -4.84 115.26 110.96 1blj n ASN 74 Ca -0.02 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.76 1blj n ASN 74 Cb 0.22 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1blj n ASN 74 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1blj n GLY 75 N -0.14 0.54 3.08 4.83 0.00 -1.20 -5.07 105.19 107.23 1blj n GLY 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1blj n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1blj n GLY 76 N 0.00 1.38 3.17 -0.02 0.00 -0.99 -3.09 105.19 105.65 1blj n GLY 76 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 1blj n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1blj s TYR 77 N 0.00 -0.13 -0.01 1.61 2.02 0.78 -1.27 117.35 120.35 1blj s TYR 77 Ca 0.00 0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.93 1blj s TYR 77 Cb 0.00 0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.63 1blj s TYR 77 CO 0.00 -0.30 0.02 1.52 -1.57 0.00 0.00 175.55 175.22 1blj s TYR 78 N -1.01 0.02 -0.71 2.71 -0.85 -0.82 -1.21 117.35 115.48 1blj s TYR 78 Ca -0.11 0.09 0.07 0.00 -0.52 0.00 0.00 57.07 56.60 1blj s TYR 78 Cb -0.05 -0.17 0.03 0.00 0.38 0.00 0.00 41.96 42.15 1blj s TYR 78 CO 0.02 -0.06 0.60 0.44 -1.52 0.00 0.00 175.55 175.04 1blj n ILE 79 N 3.86 0.00 -3.64 -3.49 -5.35 -1.24 -1.98 119.36 107.51 1blj n ILE 79 Ca -0.23 -0.47 -0.06 0.00 -0.27 0.00 0.00 62.75 61.72 1blj n ILE 79 Cb 0.53 1.11 -0.07 0.00 -1.74 0.00 0.00 39.64 39.47 1blj n ILE 79 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1blj s SER 80 N -0.80 -0.97 0.00 7.28 0.01 -1.24 -4.82 113.70 113.16 1blj s SER 80 Ca 0.07 1.51 0.12 0.00 1.31 0.00 0.00 55.95 58.96 1blj s SER 80 Cb 0.05 1.52 0.55 0.00 0.21 0.00 0.00 66.02 68.35 1blj s SER 80 CO 0.12 -0.23 1.32 -2.65 0.41 0.00 0.00 173.24 172.20 1blj n PRO 81 N 4.47 0.10 0.08 12.44 -0.02 -1.26 -1.13 135.00 149.68 1blj n PRO 81 Ca -0.19 0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.54 1blj n PRO 81 Cb 0.58 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.52 1blj n PRO 81 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1blj h ARG 82 N 0.00 0.00 -3.57 -0.52 -0.00 -2.01 -3.44 114.38 104.84 1blj h ARG 82 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 59.98 59.53 1blj h ARG 82 Cb 0.15 0.00 -0.39 0.00 -0.00 0.00 0.00 29.97 29.73 1blj h ARG 82 CO 0.00 0.32 -0.76 0.96 -0.00 0.00 0.00 179.97 180.49 1blj s ILE 83 N -2.99 0.31 0.23 0.08 -4.36 -0.29 -5.13 121.20 109.06 1blj s ILE 83 Ca -0.00 -0.02 0.11 0.00 -0.26 0.00 0.00 60.65 60.48 1blj s ILE 83 Cb 0.08 -0.60 -0.05 0.00 1.25 0.00 0.00 42.46 43.14 1blj s ILE 83 CO 0.78 0.10 -0.20 -0.89 0.24 0.00 0.00 174.94 174.98 1blj s THR 84 N 1.98 2.21 -0.09 8.37 2.01 -1.26 -3.69 115.64 125.19 1blj s THR 84 Ca 0.03 -2.20 -0.09 0.00 0.31 0.00 0.00 61.69 59.75 1blj s THR 84 Cb -0.14 -2.13 0.02 0.00 0.01 0.00 0.00 72.50 70.26 1blj s THR 84 CO -0.06 -0.35 0.24 -0.36 -0.69 0.00 0.00 174.62 173.41 1blj s PHE 85 N -2.29 -0.25 -0.47 4.92 0.08 -0.35 -5.00 117.98 114.62 1blj s PHE 85 Ca 0.24 0.61 0.11 0.00 0.12 0.00 0.00 56.93 58.02 1blj s PHE 85 Cb -0.05 0.09 0.62 0.00 -0.57 0.00 0.00 43.02 43.10 1blj s PHE 85 CO 0.11 -0.14 1.31 -0.35 -0.10 0.00 0.00 175.22 176.05 1blj n PRO 86 N 2.84 0.07 -3.86 0.24 -0.04 -1.18 -0.15 135.00 132.91 1blj n PRO 86 Ca -0.13 0.55 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 1blj n PRO 86 Cb 0.58 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.25 1blj n PRO 86 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1blj s THR 87 N -3.25 0.00 0.31 0.52 -1.32 -1.26 -4.13 115.64 106.51 1blj s THR 87 Ca -0.01 -0.43 0.04 0.00 -1.21 0.00 0.00 61.69 60.08 1blj s THR 87 Cb 0.03 -2.70 0.09 0.00 -1.51 0.00 0.00 72.50 68.41 1blj s THR 87 CO 0.10 0.00 1.77 -0.07 -2.21 0.00 0.00 174.62 174.21 1blj h LEU 88 N 2.00 0.41 -1.44 9.08 -0.00 -1.94 -3.22 115.31 120.20 1blj h LEU 88 Ca -0.26 -0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 57.48 1blj h LEU 88 Cb 1.21 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.73 1blj h LEU 88 CO 0.33 0.64 0.20 0.06 -0.00 0.00 0.00 178.44 179.67 1blj h GLN 89 N 0.38 0.58 0.00 1.13 -0.00 -1.97 0.23 115.11 115.46 1blj h GLN 89 Ca 0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1blj h GLN 89 Cb 0.60 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.96 1blj h GLN 89 CO 0.04 0.45 0.00 0.00 -0.00 0.00 0.00 178.83 179.32 1blj n ALA 90 N -2.47 2.29 -0.01 0.06 0.00 -1.22 -2.02 120.51 117.14 1blj n ALA 90 Ca 0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 1blj n ALA 90 Cb 0.12 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 1blj n ALA 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1blj h LEU 91 N 0.00 0.34 0.00 0.00 6.46 -0.95 -3.21 115.31 117.95 1blj h LEU 91 Ca 0.00 -0.83 0.00 0.00 -0.12 0.00 0.00 57.88 56.93 1blj h LEU 91 Cb 0.43 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1blj h LEU 91 CO 0.00 1.67 0.00 0.52 -0.62 0.00 0.00 178.44 180.01 1blj n VAL 92 N -3.88 0.65 -0.10 1.05 0.31 0.57 -1.59 118.33 115.36 1blj n VAL 92 Ca -0.28 0.16 -0.17 0.00 -0.01 0.00 0.00 64.34 64.05 1blj n VAL 92 Cb 0.91 -0.83 -0.08 0.00 -0.91 0.00 0.00 33.84 32.94 1blj n VAL 92 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1blj n GLN 93 N -1.49 0.53 -0.27 5.55 10.64 -0.86 -3.26 117.38 128.22 1blj n GLN 93 Ca 0.05 0.50 -0.06 0.00 -1.83 0.00 0.00 57.00 55.66 1blj n GLN 93 Cb 0.23 -1.68 0.05 0.00 -0.86 0.00 0.00 30.24 27.98 1blj n GLN 93 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1blj h HIS 94 N -1.00 1.09 0.00 2.61 2.76 -1.58 -2.06 115.15 116.97 1blj h HIS 94 Ca -0.26 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 57.83 1blj h HIS 94 Cb 1.07 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.70 1blj h HIS 94 CO -0.06 0.82 -0.06 1.88 -1.30 0.00 0.00 177.93 179.21 1blj h TYR 95 N 1.04 0.00 -0.52 5.26 0.05 -1.39 -0.68 116.97 120.73 1blj h TYR 95 Ca 0.25 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.00 1blj h TYR 95 Cb 0.17 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 1blj h TYR 95 CO 0.01 0.06 0.21 0.77 -1.05 0.00 0.00 178.16 178.16 1blj h SER 96 N 0.00 0.68 0.00 3.88 0.02 -1.35 -2.21 113.55 114.57 1blj h SER 96 Ca -0.00 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 1blj h SER 96 Cb 0.70 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1blj h SER 96 CO 0.01 0.61 -1.87 0.29 -1.14 0.00 0.00 176.83 174.73 1blj n LYS 97 N -4.34 0.73 -3.46 3.45 4.01 -1.16 -4.58 118.16 112.82 1blj n LYS 97 Ca 0.04 -0.12 -0.16 0.00 -0.51 0.00 0.00 58.31 57.56 1blj n LYS 97 Cb 0.16 -1.41 -0.12 0.00 -0.51 0.00 0.00 35.03 33.15 1blj n LYS 97 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 1blj s LYS 98 N -3.01 0.23 0.29 1.97 2.36 -0.27 -5.04 119.74 116.28 1blj s LYS 98 Ca -0.07 0.28 0.00 0.00 -2.55 0.00 0.00 55.97 53.63 1blj s LYS 98 Cb 0.10 -1.03 0.51 0.00 -1.05 0.00 0.00 37.83 36.35 1blj s LYS 98 CO 0.71 -0.66 1.90 0.78 1.55 0.00 0.00 175.35 179.63 1blj h GLY 99 N 8.28 1.39 -4.96 5.54 0.00 -1.80 -3.31 103.07 108.21 1blj h GLY 99 Ca -0.18 -0.43 -0.20 0.00 0.00 0.00 0.00 47.33 46.53 1blj h GLY 99 CO 0.28 0.30 -0.28 1.34 0.00 0.00 0.00 176.54 178.18 1blj n ASP 100 N -4.50 -2.42 0.00 0.19 2.03 -1.26 -1.79 116.55 108.80 1blj n ASP 100 Ca 0.15 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1blj n ASP 100 Cb 0.21 -2.11 0.00 0.00 -0.72 0.00 0.00 41.12 38.50 1blj n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1blj n GLY 101 N -0.77 2.61 0.42 0.27 0.00 -1.26 -4.98 105.19 101.48 1blj n GLY 101 Ca -0.03 -0.30 0.23 0.00 0.00 0.00 0.00 46.02 45.92 1blj n GLY 101 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1blj h LEU 102 N 0.00 0.10 0.00 0.99 3.38 -1.74 -3.45 115.31 114.59 1blj h LEU 102 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1blj h LEU 102 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1blj h LEU 102 CO 0.00 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1blj s GLN 104 N 0.00 0.64 0.38 0.00 -1.52 -1.26 -5.03 119.66 112.86 1blj s GLN 104 Ca 0.00 -0.99 -0.06 0.00 -1.95 0.00 0.00 55.36 52.36 1blj s GLN 104 Cb 0.00 -1.88 0.10 0.00 -0.22 0.00 0.00 33.01 31.01 1blj s GLN 104 CO 0.00 -0.99 0.23 0.36 -0.25 0.00 0.00 175.29 174.65 1blj n LYS 105 N 4.90 -2.64 -3.92 2.91 2.85 -1.26 -4.76 118.16 116.24 1blj n LYS 105 Ca -0.03 -0.39 -0.28 0.00 -1.05 0.00 0.00 58.31 56.57 1blj n LYS 105 Cb 0.42 -0.49 -0.03 0.00 -0.65 0.00 0.00 35.03 34.28 1blj n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1blj s LEU 106 N 0.00 4.34 0.00 -5.58 1.43 -0.83 -3.40 118.68 114.64 1blj s LEU 106 Ca 0.18 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1blj s LEU 106 Cb -0.03 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.25 1blj s LEU 106 CO 0.15 0.08 0.00 0.35 0.23 0.00 0.00 176.35 177.16 1blj n THR 107 N -0.30 0.00 -4.47 5.49 -2.24 -0.64 -4.19 114.28 107.94 1blj n THR 107 Ca -0.06 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 1blj n THR 107 Cb 0.53 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.60 1blj n THR 107 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1blj s LEU 108 N -0.19 1.62 0.31 3.22 1.43 -1.26 -4.88 118.68 118.92 1blj s LEU 108 Ca 0.00 -0.24 -0.27 0.00 -1.03 0.00 0.00 54.13 52.59 1blj s LEU 108 Cb 0.00 -0.69 -0.14 0.00 0.03 0.00 0.00 46.19 45.39 1blj s LEU 108 CO 0.00 0.03 0.96 -2.65 0.23 0.00 0.00 176.35 174.91 1blj n PRO 109 N 3.73 1.24 -0.66 1.29 -0.02 -1.26 -3.76 135.00 135.56 1blj n PRO 109 Ca -0.22 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.38 1blj n PRO 109 Cb 0.52 -1.81 0.18 0.00 -0.02 0.00 0.00 33.50 32.37 1blj n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1blj s VAL 111 N -2.43 5.05 -0.04 0.00 0.11 -1.26 -4.59 120.40 117.24 1blj s VAL 111 Ca 0.62 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1blj s VAL 111 Cb -0.21 -3.86 -0.01 0.00 -1.53 0.00 0.00 36.38 30.78 1blj s VAL 111 CO 0.64 -0.62 -0.04 -1.13 -3.33 0.00 0.00 175.10 170.63 1blj h ASN 112 N 0.64 0.00 -3.98 3.54 -0.00 -1.99 -3.50 115.58 110.29 1blj h ASN 112 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.81 1blj h ASN 112 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 1blj h ASN 112 CO 0.61 0.21 -0.62 -0.11 -0.00 0.00 0.00 177.43 177.52 1blj n LEU 113 N -2.96 -4.71 0.00 0.34 7.94 -1.26 -5.17 117.00 111.18 1blj n LEU 113 Ca -0.02 2.14 0.00 0.00 -1.11 0.00 0.00 56.01 57.03 1blj n LEU 113 Cb 0.06 -2.29 0.00 0.00 0.53 0.00 0.00 43.42 41.72 1blj n LEU 113 CO 0.02 -1.02 0.00 0.00 -1.11 0.00 0.00 177.39 175.28