#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rkb s MET 1 N 0.00 3.58 0.01 3.23 -1.94 -1.26 -5.07 119.30 117.85 1rkb s MET 1 Ca 0.00 -0.10 -0.30 0.00 -1.71 0.00 0.00 55.69 53.58 1rkb s MET 1 Cb 0.00 -3.05 -0.04 0.00 2.01 0.00 0.00 34.83 33.75 1rkb s MET 1 CO 0.00 0.63 1.05 -1.17 -0.01 0.00 0.00 175.02 175.52 1rkb s LEU 2 N -1.90 4.36 0.10 -0.03 0.20 -1.26 -5.03 118.68 115.13 1rkb s LEU 2 Ca 0.29 1.77 0.10 0.00 0.69 0.00 0.00 54.13 56.98 1rkb s LEU 2 Cb -0.13 -3.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.02 1rkb s LEU 2 CO 0.18 -0.34 -0.24 -0.76 -0.29 0.00 0.00 176.35 174.90 1rkb s LEU 3 N 1.09 2.42 0.69 -0.68 1.43 -1.26 -4.79 118.68 117.58 1rkb s LEU 3 Ca 0.54 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 1rkb s LEU 3 Cb -0.24 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.68 1rkb s LEU 3 CO 0.28 0.20 1.03 -2.16 0.23 0.00 0.00 176.35 175.93 1rkb s PRO 4 N -1.89 2.56 -0.05 1.29 0.04 -1.26 -2.55 135.00 133.13 1rkb s PRO 4 Ca 0.15 0.09 0.05 0.00 0.04 0.00 0.00 61.00 61.32 1rkb s PRO 4 Cb -0.10 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1rkb s PRO 4 CO 0.06 -1.09 -0.19 -0.80 0.04 0.00 0.00 177.00 175.03 1rkb s ASN 5 N -4.42 3.62 -0.03 6.66 0.01 -1.26 -1.46 114.94 118.07 1rkb s ASN 5 Ca 0.58 -0.33 0.05 0.00 -0.71 0.00 0.00 52.86 52.45 1rkb s ASN 5 Cb -0.11 -0.83 -0.01 0.00 0.41 0.00 0.00 41.25 40.71 1rkb s ASN 5 CO 0.48 0.30 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.55 1rkb s ILE 6 N -0.46 1.47 -0.16 0.60 1.01 0.03 -1.76 121.20 121.92 1rkb s ILE 6 Ca 0.05 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1rkb s ILE 6 Cb -0.12 -1.24 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1rkb s ILE 6 CO 0.01 0.42 -0.03 -0.22 0.00 0.00 0.00 174.94 175.12 1rkb s LEU 7 N -0.23 3.28 -0.26 2.97 2.96 -0.90 -0.37 118.68 126.13 1rkb s LEU 7 Ca 0.02 -0.12 -0.03 0.00 -0.22 0.00 0.00 54.13 53.79 1rkb s LEU 7 Cb -0.09 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.83 1rkb s LEU 7 CO 0.01 0.17 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.42 1rkb s LEU 8 N 0.35 3.37 0.41 -0.68 1.43 0.57 -0.89 118.68 123.23 1rkb s LEU 8 Ca -0.04 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 1rkb s LEU 8 Cb -0.14 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1rkb s LEU 8 CO 0.03 -0.15 0.15 0.28 0.23 0.00 0.00 176.35 176.90 1rkb s THR 9 N 1.36 0.48 0.00 5.49 -1.32 -0.17 -2.37 115.64 119.11 1rkb s THR 9 Ca 0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.49 1rkb s THR 9 Cb -0.17 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.49 1rkb s THR 9 CO -0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1rkb n GLY 10 N -0.90 3.36 3.66 6.08 0.00 -1.26 -1.08 105.19 115.06 1rkb n GLY 10 Ca -0.05 -1.79 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 1rkb n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rkb n THR 11 N -1.68 3.32 -1.72 2.61 -1.04 -1.26 -4.33 114.28 110.17 1rkb n THR 11 Ca 0.00 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.09 1rkb n THR 11 Cb 0.00 -1.35 -0.01 0.00 -1.82 0.00 0.00 70.33 67.15 1rkb n THR 11 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1rkb n PRO 12 N -0.62 2.34 0.00 -2.82 -0.02 -1.26 -2.19 135.00 130.42 1rkb n PRO 12 Ca 0.11 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1rkb n PRO 12 Cb 0.44 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1rkb n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rkb n GLY 13 N 1.05 0.84 0.07 -1.23 0.00 -1.26 -4.95 105.19 99.72 1rkb n GLY 13 Ca 0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.18 1rkb n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rkb n VAL 14 N -2.00 0.68 0.00 1.61 0.24 -0.93 -4.89 118.33 113.04 1rkb n VAL 14 Ca 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1rkb n VAL 14 Cb 0.00 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.49 1rkb n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rkb n GLY 15 N 0.55 1.41 0.11 7.63 0.00 -1.26 -4.74 105.19 108.88 1rkb n GLY 15 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 1rkb n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rkb h LYS 16 N 0.00 0.27 -0.24 1.61 1.57 -1.91 -2.26 116.57 115.60 1rkb h LYS 16 Ca 0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1rkb h LYS 16 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1rkb h LYS 16 CO 0.00 0.19 0.10 1.15 -0.57 0.00 0.00 179.45 180.32 1rkb h THR 17 N 0.26 1.17 -0.73 -0.16 2.02 -1.96 0.83 112.91 114.34 1rkb h THR 17 Ca 0.07 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1rkb h THR 17 Cb -0.01 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.40 1rkb h THR 17 CO -0.02 0.17 0.48 0.74 0.37 0.00 0.00 175.52 177.26 1rkb h THR 18 N 0.25 1.19 -0.05 3.16 2.02 -1.99 -1.48 112.91 116.02 1rkb h THR 18 Ca 0.08 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1rkb h THR 18 Cb 0.17 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1rkb h THR 18 CO -0.01 0.18 -0.02 0.25 0.37 0.00 0.00 175.52 176.30 1rkb h LEU 19 N 0.99 0.10 -0.74 2.58 5.85 -1.21 -2.65 115.31 120.23 1rkb h LEU 19 Ca 0.27 -0.39 0.03 0.00 0.84 0.00 0.00 57.88 58.63 1rkb h LEU 19 Cb -0.11 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1rkb h LEU 19 CO -0.06 0.46 0.46 1.23 -0.34 0.00 0.00 178.44 180.20 1rkb h GLY 20 N -0.27 1.07 1.11 3.75 0.00 -0.70 0.15 103.07 108.18 1rkb h GLY 20 Ca 0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1rkb h GLY 20 CO 0.01 0.29 0.12 0.50 0.00 0.00 0.00 176.54 177.46 1rkb h LYS 21 N 0.90 1.09 -0.33 4.80 1.57 -1.29 -0.69 116.57 122.63 1rkb h LYS 21 Ca 0.30 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 1rkb h LYS 21 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1rkb h LYS 21 CO -0.11 0.99 -0.19 1.49 -0.57 0.00 0.00 179.45 181.06 1rkb h GLU 22 N 1.03 0.71 -0.75 3.15 4.81 -1.09 -2.24 114.58 120.19 1rkb h GLU 22 Ca 0.21 -0.32 0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1rkb h GLU 22 Cb 0.42 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 1rkb h GLU 22 CO 0.01 0.93 0.47 -0.07 -0.73 0.00 0.00 179.01 179.62 1rkb h LEU 23 N 0.48 0.77 -0.24 1.64 3.38 -0.71 -1.11 115.31 119.52 1rkb h LEU 23 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rkb h LEU 23 Cb 0.73 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1rkb h LEU 23 CO 0.05 0.53 0.13 0.00 0.09 0.00 0.00 178.44 179.25 1rkb h ALA 24 N 1.32 0.31 -0.64 1.53 0.00 -1.02 -1.02 119.26 119.74 1rkb h ALA 24 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1rkb h ALA 24 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1rkb h ALA 24 CO -0.11 -0.15 0.41 0.66 0.00 0.00 0.00 179.25 180.06 1rkb h SER 25 N 0.28 0.74 -0.22 0.00 4.64 -0.93 0.37 113.55 118.43 1rkb h SER 25 Ca 0.09 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1rkb h SER 25 Cb 0.07 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1rkb h SER 25 CO -0.01 0.54 0.00 0.29 -0.87 0.00 0.00 176.83 176.78 1rkb n LYS 26 N -4.43 2.20 0.00 4.77 5.02 -0.46 -4.42 118.16 120.84 1rkb n LYS 26 Ca 0.06 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.56 1rkb n LYS 26 Cb 0.05 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1rkb n LYS 26 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1rkb n SER 27 N 1.06 2.58 0.00 4.39 3.41 -0.41 -5.02 113.62 119.63 1rkb n SER 27 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1rkb n SER 27 Cb 0.52 0.42 0.00 0.00 -0.26 0.00 0.00 64.21 64.89 1rkb n SER 27 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rkb n GLY 28 N 1.48 1.13 3.78 5.00 0.00 0.10 -5.05 105.19 111.63 1rkb n GLY 28 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1rkb n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rkb s LEU 29 N 0.00 3.25 -0.03 0.99 1.02 -1.25 -5.00 118.68 117.66 1rkb s LEU 29 Ca 0.00 1.84 -0.24 0.00 0.02 0.00 0.00 54.13 55.75 1rkb s LEU 29 Cb 0.00 -4.53 -0.04 0.00 0.02 0.00 0.00 46.19 41.64 1rkb s LEU 29 CO 0.00 -1.63 0.72 -0.75 0.02 0.00 0.00 176.35 174.71 1rkb s LYS 30 N -4.51 4.45 -0.18 1.70 2.20 -0.53 -4.50 119.74 118.37 1rkb s LYS 30 Ca 0.63 0.93 -0.12 0.00 -0.36 0.00 0.00 55.97 57.06 1rkb s LYS 30 Cb -0.17 -3.42 -0.05 0.00 -1.51 0.00 0.00 37.83 32.68 1rkb s LYS 30 CO 0.47 0.13 0.21 -0.47 -0.36 0.00 0.00 175.35 175.34 1rkb s TYR 31 N 0.54 3.44 -0.15 4.03 6.14 -1.26 0.21 117.35 130.30 1rkb s TYR 31 Ca 0.38 0.47 0.00 0.00 0.64 0.00 0.00 57.07 58.56 1rkb s TYR 31 Cb -0.18 -2.24 0.03 0.00 0.42 0.00 0.00 41.96 39.98 1rkb s TYR 31 CO 0.20 0.28 -0.10 0.42 0.64 0.00 0.00 175.55 176.99 1rkb s ILE 32 N 0.36 1.33 -0.35 3.14 1.01 0.93 -4.94 121.20 122.68 1rkb s ILE 32 Ca 0.12 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 1rkb s ILE 32 Cb -0.12 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1rkb s ILE 32 CO 0.01 0.32 0.60 0.21 0.00 0.00 0.00 174.94 176.08 1rkb s ASN 33 N 1.57 6.39 0.24 3.58 3.84 -1.26 -0.62 114.94 128.68 1rkb s ASN 33 Ca 0.03 0.09 -0.06 0.00 0.21 0.00 0.00 52.86 53.13 1rkb s ASN 33 Cb -0.14 -2.31 0.23 0.00 -0.55 0.00 0.00 41.25 38.48 1rkb s ASN 33 CO -0.09 -0.56 1.83 0.58 -2.79 0.00 0.00 177.10 176.07 1rkb h VAL 34 N 5.66 1.25 -0.26 -5.21 2.07 -1.61 -0.63 116.25 117.53 1rkb h VAL 34 Ca -0.27 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1rkb h VAL 34 Cb 1.11 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1rkb h VAL 34 CO 0.82 0.30 0.16 1.23 0.02 0.00 0.00 177.57 180.11 1rkb h GLY 35 N 1.19 0.37 1.18 2.17 0.00 -1.93 -0.61 103.07 105.44 1rkb h GLY 35 Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1rkb h GLY 35 CO -0.04 0.14 0.30 -0.55 0.00 0.00 0.00 176.54 176.40 1rkb h ASP 36 N 0.33 0.96 -0.56 0.19 3.45 -1.88 -2.26 116.42 116.65 1rkb h ASP 36 Ca 0.09 -0.13 -0.05 0.00 0.43 0.00 0.00 57.03 57.38 1rkb h ASP 36 Cb -0.01 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.49 1rkb h ASP 36 CO -0.02 0.84 0.17 0.25 -1.57 0.00 0.00 179.24 178.91 1rkb h LEU 37 N 1.03 0.82 -1.11 1.55 5.85 -0.69 0.39 115.31 123.15 1rkb h LEU 37 Ca 0.24 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1rkb h LEU 37 Cb 0.17 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1rkb h LEU 37 CO -0.02 0.81 -0.08 0.00 -0.34 0.00 0.00 178.44 178.80 1rkb h ALA 38 N 1.04 1.26 -0.18 1.25 0.00 -0.88 -0.86 119.26 120.89 1rkb h ALA 38 Ca 0.18 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1rkb h ALA 38 Cb 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1rkb h ALA 38 CO -0.00 0.49 -0.38 -0.09 0.00 0.00 0.00 179.25 179.26 1rkb h ARG 39 N 0.50 0.58 -0.52 0.00 2.43 -1.06 0.21 114.38 116.52 1rkb h ARG 39 Ca 0.10 -0.38 -0.04 0.00 -0.81 0.00 0.00 59.98 58.85 1rkb h ARG 39 Cb 0.45 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1rkb h ARG 39 CO 0.02 0.99 0.17 0.93 -1.51 0.00 0.00 179.97 180.57 1rkb h GLU 40 N 0.24 0.81 -0.50 0.20 4.39 -0.69 -3.07 114.58 115.96 1rkb h GLU 40 Ca 0.00 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1rkb h GLU 40 Cb 0.98 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1rkb h GLU 40 CO 0.08 0.74 0.00 0.39 -1.16 0.00 0.00 179.01 179.07 1rkb n GLU 41 N -4.48 2.52 -3.81 2.33 -0.58 -0.35 -4.98 120.64 111.29 1rkb n GLU 41 Ca 0.02 -2.32 -0.28 0.00 -0.42 0.00 0.00 57.16 54.16 1rkb n GLU 41 Cb 0.19 -1.52 0.01 0.00 -0.57 0.00 0.00 31.44 29.56 1rkb n GLU 41 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1rkb n GLN 42 N 1.46 -2.46 -2.45 3.49 1.13 0.46 -4.89 117.38 114.12 1rkb n GLN 42 Ca 0.21 0.44 -0.42 0.00 -1.94 0.00 0.00 57.00 55.29 1rkb n GLN 42 Cb 0.59 -4.36 0.01 0.00 0.11 0.00 0.00 30.24 26.59 1rkb n GLN 42 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1rkb n LEU 43 N -4.31 7.00 -4.27 1.08 4.77 0.42 -4.95 117.00 116.74 1rkb n LEU 43 Ca -0.21 -4.93 -0.21 0.00 -0.03 0.00 0.00 56.01 50.63 1rkb n LEU 43 Cb 0.64 -1.37 -0.12 0.00 -2.33 0.00 0.00 43.42 40.25 1rkb n LEU 43 CO 0.71 1.69 -0.49 -0.31 -1.33 0.00 0.00 177.39 177.66 1rkb s TYR 44 N -1.28 1.63 -0.27 -1.77 2.02 -1.26 -0.92 117.35 115.50 1rkb s TYR 44 Ca 0.41 -0.46 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 1rkb s TYR 44 Cb 0.12 -0.87 0.14 0.00 -0.40 0.00 0.00 41.96 40.94 1rkb s TYR 44 CO -0.01 0.20 0.32 0.34 -1.57 0.00 0.00 175.55 174.84 1rkb s ASP 45 N -2.18 1.22 0.00 2.29 3.68 0.42 -4.78 116.67 117.32 1rkb s ASP 45 Ca 0.08 -0.50 0.00 0.00 2.13 0.00 0.00 52.55 54.26 1rkb s ASP 45 Cb -0.08 0.69 0.00 0.00 -1.45 0.00 0.00 42.92 42.08 1rkb s ASP 45 CO 0.04 -0.36 0.00 0.61 0.13 0.00 0.00 175.17 175.59 1rkb n GLY 46 N 5.33 2.47 0.00 2.66 0.00 -1.26 -4.49 105.19 109.90 1rkb n GLY 46 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1rkb n GLY 46 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rkb n TYR 47 N 1.29 0.00 0.00 1.61 9.36 -1.26 -0.23 117.16 127.94 1rkb n TYR 47 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1rkb n TYR 47 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1rkb n TYR 47 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1rkb n ASP 48 N 0.00 0.00 -0.02 2.98 3.85 -1.26 -4.66 116.55 117.44 1rkb n ASP 48 Ca 0.00 0.00 -0.01 0.00 -0.71 0.00 0.00 54.79 54.07 1rkb n ASP 48 Cb 0.00 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.73 1rkb n ASP 48 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.20 177.40 1rkb n GLU 49 N -0.25 2.69 -0.02 0.11 2.13 -1.26 -4.22 120.64 119.82 1rkb n GLU 49 Ca 0.00 -0.01 -0.00 0.00 0.66 0.00 0.00 57.16 57.81 1rkb n GLU 49 Cb 0.00 -1.12 -0.00 0.00 0.27 0.00 0.00 31.44 30.59 1rkb n GLU 49 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1rkb h GLU 50 N 0.00 -0.00 -0.07 5.31 4.39 -1.97 -3.24 114.58 119.00 1rkb h GLU 50 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1rkb h GLU 50 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1rkb h GLU 50 CO 0.01 -0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 1rkb n TYR 51 N -3.06 0.14 -3.52 4.33 4.02 -1.26 -4.99 117.16 112.82 1rkb n TYR 51 Ca 0.00 -0.65 -0.26 0.00 -0.01 0.00 0.00 57.90 56.98 1rkb n TYR 51 Cb 0.01 -0.09 0.01 0.00 -0.02 0.00 0.00 39.34 39.25 1rkb n TYR 51 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1rkb n ASP 52 N -0.58 -4.46 -3.98 7.72 10.43 -1.23 -4.97 116.55 119.49 1rkb n ASP 52 Ca 0.07 -0.52 -0.16 0.00 2.57 0.00 0.00 54.79 56.75 1rkb n ASP 52 Cb 0.42 -3.62 -0.14 0.00 1.84 0.00 0.00 41.12 39.61 1rkb n ASP 52 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1rkb s PRO 54 N -0.16 2.53 -0.17 0.00 0.02 -1.26 -4.19 135.00 131.77 1rkb s PRO 54 Ca 0.02 1.93 -0.20 0.00 0.02 0.00 0.00 61.00 62.78 1rkb s PRO 54 Cb -0.02 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.60 1rkb s PRO 54 CO -0.00 -1.58 0.57 0.42 -0.33 0.00 0.00 177.00 176.07 1rkb s ILE 55 N -1.60 5.09 0.23 2.83 1.01 0.69 -4.96 121.20 124.49 1rkb s ILE 55 Ca 0.79 1.08 -0.31 0.00 0.00 0.00 0.00 60.65 62.22 1rkb s ILE 55 Cb -0.34 -3.89 -0.10 0.00 0.01 0.00 0.00 42.46 38.14 1rkb s ILE 55 CO 0.40 0.19 1.53 -0.22 0.00 0.00 0.00 174.94 176.84 1rkb s LEU 56 N 1.42 4.37 -0.77 2.97 0.20 -1.26 -0.44 118.68 125.17 1rkb s LEU 56 Ca 0.27 2.72 -0.20 0.00 0.69 0.00 0.00 54.13 57.61 1rkb s LEU 56 Cb -0.16 -3.61 0.11 0.00 -0.43 0.00 0.00 46.19 42.10 1rkb s LEU 56 CO 0.11 -0.80 0.98 -0.62 -0.29 0.00 0.00 176.35 175.73 1rkb s ASP 57 N 0.68 6.40 0.21 3.68 -1.08 -0.10 -4.70 116.67 121.77 1rkb s ASP 57 Ca 0.64 -1.62 -0.10 0.00 -0.52 0.00 0.00 52.55 50.95 1rkb s ASP 57 Cb -0.44 -2.38 0.27 0.00 -1.46 0.00 0.00 42.92 38.91 1rkb s ASP 57 CO 0.40 -1.17 1.73 -0.33 0.52 0.00 0.00 175.17 176.31 1rkb h GLU 58 N 9.09 0.33 -0.83 4.34 5.08 -1.92 -1.88 114.58 128.78 1rkb h GLU 58 Ca -0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1rkb h GLU 58 Cb 1.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 1rkb h GLU 58 CO 1.11 0.22 0.44 -0.44 -1.00 0.00 0.00 179.01 179.34 1rkb h ASP 59 N 0.34 1.05 0.30 1.42 3.32 -1.95 -1.82 116.42 119.08 1rkb h ASP 59 Ca 0.30 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1rkb h ASP 59 Cb 0.40 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1rkb h ASP 59 CO -0.34 0.86 -0.51 0.03 -1.72 0.00 0.00 179.24 177.57 1rkb h ARG 60 N 1.17 0.24 -0.40 3.56 3.08 -1.83 -1.75 114.38 118.44 1rkb h ARG 60 Ca 0.29 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.17 1rkb h ARG 60 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1rkb h ARG 60 CO -0.04 0.69 0.11 0.28 -1.07 0.00 0.00 179.97 179.94 1rkb h VAL 61 N 0.19 1.22 -0.42 2.04 2.07 -0.88 0.56 116.25 121.03 1rkb h VAL 61 Ca 0.01 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1rkb h VAL 61 Cb 0.96 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1rkb h VAL 61 CO 0.08 0.26 0.22 0.58 0.02 0.00 0.00 177.57 178.73 1rkb h VAL 62 N 0.50 1.16 -0.60 2.57 2.07 -1.16 -2.11 116.25 118.69 1rkb h VAL 62 Ca 0.13 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 1rkb h VAL 62 Cb 0.28 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1rkb h VAL 62 CO -0.00 0.17 0.10 0.44 0.02 0.00 0.00 177.57 178.30 1rkb h ASP 63 N 0.54 0.91 -0.82 0.57 3.45 -1.15 -0.27 116.42 119.65 1rkb h ASP 63 Ca 0.15 -0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.39 1rkb h ASP 63 Cb 0.08 -0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 38.57 1rkb h ASP 63 CO -0.02 0.91 0.46 -0.08 -1.57 0.00 0.00 179.24 178.94 1rkb h GLU 64 N 0.91 1.15 0.00 3.56 4.57 -0.56 -3.28 114.58 120.92 1rkb h GLU 64 Ca 0.19 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1rkb h GLU 64 Cb 0.39 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1rkb h GLU 64 CO 0.01 0.84 -1.64 1.28 -1.18 0.00 0.00 179.01 178.31 1rkb n LEU 65 N -4.34 0.30 -0.20 1.64 4.77 -0.82 -4.73 117.00 113.62 1rkb n LEU 65 Ca 0.09 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.98 1rkb n LEU 65 Cb 0.10 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1rkb n LEU 65 CO 0.38 0.01 0.59 -0.78 -1.33 0.00 0.00 177.39 176.26 1rkb h ASP 66 N 0.00 -1.36 -0.92 -1.43 -0.00 -1.11 -0.48 116.42 111.12 1rkb h ASP 66 Ca 0.00 0.24 0.08 0.00 -0.00 0.00 0.00 57.03 57.34 1rkb h ASP 66 Cb 0.91 0.63 -0.07 0.00 -0.00 0.00 0.00 39.33 40.81 1rkb h ASP 66 CO 0.00 -0.33 0.57 0.78 -0.00 0.00 0.00 179.24 180.26 1rkb h ASN 67 N -0.21 0.88 -0.41 2.28 -0.26 -1.85 0.14 115.58 116.15 1rkb h ASN 67 Ca 0.19 0.03 -0.13 0.00 -0.56 0.00 0.00 56.30 55.83 1rkb h ASN 67 Cb 0.56 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.66 1rkb h ASN 67 CO -0.67 0.54 -0.26 -0.61 -1.06 0.00 0.00 177.43 175.37 1rkb h GLN 68 N 1.00 0.90 -0.66 0.81 4.15 -1.70 -2.85 115.11 116.76 1rkb h GLN 68 Ca 0.41 -0.42 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 1rkb h GLN 68 Cb 0.26 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1rkb h GLN 68 CO -0.20 1.07 0.13 0.52 -1.93 0.00 0.00 178.83 178.42 1rkb h MET 69 N 0.73 1.07 -0.18 1.69 2.86 -0.33 -2.37 114.93 118.39 1rkb h MET 69 Ca 0.09 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 1rkb h MET 69 Cb 0.83 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1rkb h MET 69 CO 0.07 0.96 0.12 0.00 1.06 0.00 0.00 176.91 179.12 1rkb h ARG 70 N 1.01 0.24 0.00 1.72 3.08 -0.61 -1.46 114.38 118.36 1rkb h ARG 70 Ca 0.21 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1rkb h ARG 70 Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1rkb h ARG 70 CO 0.01 0.16 0.00 0.93 -1.07 0.00 0.00 179.97 179.99 1rkb h GLU 71 N 0.24 0.00 0.00 0.04 5.08 -1.20 -3.50 114.58 115.24 1rkb h GLU 71 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1rkb h GLU 71 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1rkb h GLU 71 CO -0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.41 1rkb n GLY 72 N 1.09 -1.58 1.56 -3.84 0.00 -0.55 -4.63 105.19 97.24 1rkb n GLY 72 Ca 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1rkb n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rkb n GLY 73 N -1.83 0.77 3.18 -0.02 0.00 -0.53 -4.84 105.19 101.92 1rkb n GLY 73 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.05 1rkb n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rkb s VAL 74 N -2.51 1.54 -0.31 1.61 1.01 -1.16 -1.46 120.40 119.12 1rkb s VAL 74 Ca 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.11 1rkb s VAL 74 Cb 0.00 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1rkb s VAL 74 CO 0.00 0.44 0.10 -0.63 0.00 0.00 0.00 175.10 175.01 1rkb s ILE 75 N -0.20 3.96 -0.16 2.22 1.01 0.13 -0.79 121.20 127.38 1rkb s ILE 75 Ca 0.01 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1rkb s ILE 75 Cb -0.10 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1rkb s ILE 75 CO 0.01 -0.02 0.10 -0.69 0.00 0.00 0.00 174.94 174.34 1rkb s VAL 76 N 1.48 5.14 -0.20 2.92 1.01 0.51 -0.05 120.40 131.20 1rkb s VAL 76 Ca 0.01 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1rkb s VAL 76 Cb -0.18 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1rkb s VAL 76 CO 0.03 0.52 -0.18 -0.62 0.00 0.00 0.00 175.10 174.85 1rkb s ASP 77 N -0.23 3.41 -0.18 3.32 3.68 0.21 -0.32 116.67 126.57 1rkb s ASP 77 Ca 0.09 -0.81 -0.28 0.00 2.13 0.00 0.00 52.55 53.68 1rkb s ASP 77 Cb -0.12 -1.50 0.10 0.00 -1.45 0.00 0.00 42.92 39.96 1rkb s ASP 77 CO 0.01 -0.04 0.88 -0.47 0.13 0.00 0.00 175.17 175.68 1rkb s TYR 78 N 1.25 -0.53 -0.24 -5.34 6.04 -1.00 -1.32 117.35 116.21 1rkb s TYR 78 Ca 0.02 1.07 -0.01 0.00 0.04 0.00 0.00 57.07 58.19 1rkb s TYR 78 Cb -0.14 0.39 0.17 0.00 -1.04 0.00 0.00 41.96 41.34 1rkb s TYR 78 CO -0.11 -0.39 1.97 -2.39 -1.54 0.00 0.00 175.55 173.09 1rkb n HIS 79 N 1.40 1.18 -3.53 4.97 -0.00 -1.26 -4.04 115.22 113.95 1rkb n HIS 79 Ca -0.14 -1.70 -0.12 0.00 -0.00 0.00 0.00 57.72 55.77 1rkb n HIS 79 Cb 0.57 -0.83 -0.04 0.00 -0.00 0.00 0.00 29.99 29.69 1rkb n HIS 79 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1rkb s GLY 80 N 0.57 -0.42 0.00 -1.39 0.00 -1.26 -4.85 107.32 99.96 1rkb s GLY 80 Ca 0.24 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.42 1rkb s GLY 80 CO -0.00 0.76 0.00 0.00 0.00 0.00 0.00 173.10 173.86 1rkb h ASP 82 N 0.00 0.00 0.26 0.00 3.04 -1.98 -2.94 116.42 114.79 1rkb h ASP 82 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1rkb h ASP 82 Cb 0.03 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.32 1rkb h ASP 82 CO 0.00 0.00 -0.56 2.22 -2.04 0.00 0.00 179.24 178.86 1rkb n PHE 83 N -3.06 0.00 -2.56 4.15 -1.74 -1.26 -4.92 117.46 108.07 1rkb n PHE 83 Ca -0.01 0.00 -0.39 0.00 -0.56 0.00 0.00 57.45 56.50 1rkb n PHE 83 Cb 0.22 -0.13 -0.05 0.00 1.52 0.00 0.00 39.48 41.04 1rkb n PHE 83 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 1rkb s PHE 84 N -2.82 3.52 0.31 2.97 2.99 -1.11 -4.97 117.98 118.86 1rkb s PHE 84 Ca 0.14 1.71 -0.30 0.00 0.00 0.00 0.00 56.93 58.49 1rkb s PHE 84 Cb 0.18 -3.16 -0.11 0.00 0.00 0.00 0.00 43.02 39.93 1rkb s PHE 84 CO 0.68 -0.39 1.56 -2.14 -0.00 0.00 0.00 175.22 174.93 1rkb s PRO 85 N -1.87 4.13 0.39 0.24 0.02 -1.26 -4.86 135.00 131.79 1rkb s PRO 85 Ca 0.50 2.56 0.07 0.00 0.02 0.00 0.00 61.00 64.14 1rkb s PRO 85 Cb -0.26 -3.02 0.81 0.00 0.02 0.00 0.00 34.50 32.05 1rkb s PRO 85 CO 0.33 -0.59 2.01 1.49 -0.33 0.00 0.00 177.00 179.91 1rkb h GLU 86 N 4.43 0.63 0.00 5.54 4.81 -1.93 -2.22 114.58 125.83 1rkb h GLU 86 Ca -0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1rkb h GLU 86 Cb 1.22 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1rkb h GLU 86 CO 0.76 0.41 0.00 0.07 -0.73 0.00 0.00 179.01 179.52 1rkb h ARG 87 N 0.64 0.00 -0.79 1.92 0.11 -1.97 -3.17 114.38 111.12 1rkb h ARG 87 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1rkb h ARG 87 Cb 0.10 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.14 1rkb h ARG 87 CO -0.06 0.00 0.50 -1.49 0.10 0.00 0.00 179.97 179.02 1rkb h TRP 88 N 0.00 1.02 -3.30 4.08 4.06 -1.77 -3.44 115.95 116.59 1rkb h TRP 88 Ca 0.00 0.01 -0.68 0.00 2.06 0.00 0.00 58.89 60.28 1rkb h TRP 88 Cb 0.07 -0.34 -0.15 0.00 -1.00 0.00 0.00 29.16 27.74 1rkb h TRP 88 CO 0.00 0.66 -0.62 -0.06 -3.56 0.00 0.00 178.44 174.87 1rkb s PHE 89 N -6.06 3.17 -0.17 0.49 0.08 -1.20 -4.56 117.98 109.74 1rkb s PHE 89 Ca -0.13 0.20 0.21 0.00 0.12 0.00 0.00 56.93 57.34 1rkb s PHE 89 Cb 0.15 -1.79 -0.11 0.00 -0.57 0.00 0.00 43.02 40.70 1rkb s PHE 89 CO 0.79 0.47 0.84 0.72 -0.10 0.00 0.00 175.22 177.94 1rkb n HIS 90 N 2.14 0.70 -3.60 0.36 8.25 -0.72 -4.94 115.22 117.41 1rkb n HIS 90 Ca -0.19 0.21 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 1rkb n HIS 90 Cb 0.54 -0.86 -0.07 0.00 1.12 0.00 0.00 29.99 30.72 1rkb n HIS 90 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1rkb s ILE 91 N -3.32 0.01 -0.08 1.59 2.07 -1.23 -4.92 121.20 115.33 1rkb s ILE 91 Ca -0.03 -0.11 0.01 0.00 -1.41 0.00 0.00 60.65 59.10 1rkb s ILE 91 Cb 0.10 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.83 1rkb s ILE 91 CO 0.83 -0.06 -0.07 -0.69 -1.91 0.00 0.00 174.94 173.03 1rkb s VAL 92 N -0.99 0.86 -0.17 4.00 1.01 0.40 -2.13 120.40 123.39 1rkb s VAL 92 Ca -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1rkb s VAL 92 Cb -0.02 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.48 1rkb s VAL 92 CO 0.07 0.32 -0.09 -0.36 0.00 0.00 0.00 175.10 175.04 1rkb s PHE 93 N 1.25 2.89 -0.42 5.22 0.40 -0.07 -0.71 117.98 126.55 1rkb s PHE 93 Ca -0.04 -0.75 -0.12 0.00 -0.60 0.00 0.00 56.93 55.42 1rkb s PHE 93 Cb -0.14 -1.96 0.06 0.00 0.51 0.00 0.00 43.02 41.49 1rkb s PHE 93 CO -0.02 -0.34 0.28 0.08 0.70 0.00 0.00 175.22 175.91 1rkb s VAL 94 N 0.81 4.65 0.13 -0.44 1.01 0.49 -1.00 120.40 126.05 1rkb s VAL 94 Ca -0.03 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1rkb s VAL 94 Cb -0.15 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.44 1rkb s VAL 94 CO 0.01 -0.42 1.13 -0.76 0.00 0.00 0.00 175.10 175.05 1rkb s LEU 95 N 1.54 4.44 -0.02 3.92 1.02 -0.24 -0.95 118.68 128.38 1rkb s LEU 95 Ca 0.03 2.04 0.08 0.00 0.02 0.00 0.00 54.13 56.30 1rkb s LEU 95 Cb -0.22 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.38 1rkb s LEU 95 CO 0.05 -0.31 -0.26 -0.13 0.02 0.00 0.00 176.35 175.73 1rkb s ARG 96 N 0.16 2.16 -0.03 1.70 1.81 0.44 -4.44 118.95 120.74 1rkb s ARG 96 Ca 0.52 -0.92 0.02 0.00 -1.72 0.00 0.00 55.73 53.63 1rkb s ARG 96 Cb -0.29 -2.06 0.01 0.00 -0.45 0.00 0.00 34.95 32.16 1rkb s ARG 96 CO 0.33 0.54 -0.08 0.99 -0.68 0.00 0.00 175.30 176.40 1rkb s THR 97 N -0.57 0.71 0.30 0.02 2.01 -1.26 -0.09 115.64 116.76 1rkb s THR 97 Ca 0.09 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.51 1rkb s THR 97 Cb -0.10 -0.65 -0.13 0.00 0.01 0.00 0.00 72.50 71.62 1rkb s THR 97 CO -0.01 0.24 1.16 0.47 -0.69 0.00 0.00 174.62 175.80 1rkb n ASP 98 N 3.50 2.03 -0.28 3.53 8.00 -1.26 -4.66 116.55 127.41 1rkb n ASP 98 Ca -0.20 1.19 0.05 0.00 0.71 0.00 0.00 54.79 56.54 1rkb n ASP 98 Cb 0.53 -1.38 0.20 0.00 -0.02 0.00 0.00 41.12 40.45 1rkb n ASP 98 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1rkb h THR 99 N 2.33 0.78 -0.43 -3.53 2.02 -1.97 0.71 112.91 112.83 1rkb h THR 99 Ca -0.43 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1rkb h THR 99 Cb 1.31 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1rkb h THR 99 CO 0.63 0.12 0.21 -1.13 0.37 0.00 0.00 175.52 175.71 1rkb h ASN 100 N 0.65 0.56 -0.53 4.18 -1.24 -2.00 -0.84 115.58 116.35 1rkb h ASN 100 Ca 0.43 -0.13 -0.05 0.00 0.71 0.00 0.00 56.30 57.26 1rkb h ASN 100 Cb 0.54 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 1rkb h ASN 100 CO -0.33 0.53 0.13 0.58 -1.29 0.00 0.00 177.43 177.05 1rkb h VAL 101 N 0.55 1.24 -0.74 2.57 2.07 -1.67 -2.87 116.25 117.41 1rkb h VAL 101 Ca 0.15 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1rkb h VAL 101 Cb 0.12 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1rkb h VAL 101 CO -0.02 0.31 0.29 0.25 0.02 0.00 0.00 177.57 178.43 1rkb h LEU 102 N 0.73 1.02 -0.36 2.57 5.85 -0.66 -2.38 115.31 122.09 1rkb h LEU 102 Ca 0.17 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1rkb h LEU 102 Cb 0.33 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1rkb h LEU 102 CO 0.00 0.91 0.16 0.22 -0.34 0.00 0.00 178.44 179.40 1rkb h TYR 103 N 1.06 0.30 -0.65 1.25 3.20 -1.03 -1.07 116.97 120.02 1rkb h TYR 103 Ca 0.25 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.14 1rkb h TYR 103 Cb 0.21 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1rkb h TYR 103 CO 0.02 0.15 0.43 0.93 -1.64 0.00 0.00 178.16 178.05 1rkb h GLU 104 N 0.34 0.85 -0.10 1.82 4.39 -1.30 0.34 114.58 120.93 1rkb h GLU 104 Ca 0.15 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1rkb h GLU 104 Cb 0.08 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1rkb h GLU 104 CO -0.12 0.56 0.05 0.00 -1.16 0.00 0.00 179.01 178.34 1rkb h ARG 105 N 0.88 0.14 -0.13 2.33 3.08 -1.02 -0.56 114.38 119.09 1rkb h ARG 105 Ca 0.24 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 1rkb h ARG 105 Cb -0.10 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1rkb h ARG 105 CO -0.05 0.19 -0.38 -0.07 -1.07 0.00 0.00 179.97 178.59 1rkb h LEU 106 N 0.04 0.30 -0.28 3.04 3.38 -1.03 -1.66 115.31 119.10 1rkb h LEU 106 Ca 0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1rkb h LEU 106 Cb 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1rkb h LEU 106 CO -0.00 0.66 -0.02 -0.08 0.09 0.00 0.00 178.44 179.09 1rkb h GLU 107 N 0.25 0.51 0.00 1.13 4.81 -0.77 -2.07 114.58 118.44 1rkb h GLU 107 Ca 0.03 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1rkb h GLU 107 Cb 0.79 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.12 1rkb h GLU 107 CO 0.06 0.68 -0.02 1.15 -0.73 0.00 0.00 179.01 180.15 1rkb h THR 108 N 0.29 0.96 0.00 0.32 2.02 -0.82 0.15 112.91 115.83 1rkb h THR 108 Ca 0.08 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rkb h THR 108 Cb 0.46 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1rkb h THR 108 CO 0.02 0.02 0.00 0.54 0.37 0.00 0.00 175.52 176.47 1rkb n ARG 109 N -4.42 0.58 -1.26 6.66 1.74 -0.65 -4.87 116.66 114.44 1rkb n ARG 109 Ca -0.03 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1rkb n ARG 109 Cb 0.11 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 1rkb n ARG 109 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rkb n GLY 110 N 0.69 0.65 3.76 -0.13 0.00 0.52 -5.04 105.19 105.65 1rkb n GLY 110 Ca 0.16 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 1rkb n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rkb s TYR 111 N -2.00 3.45 0.95 1.61 1.51 -0.83 -5.03 117.35 117.01 1rkb s TYR 111 Ca 0.00 1.65 -0.16 0.00 -1.01 0.00 0.00 57.07 57.56 1rkb s TYR 111 Cb 0.00 -3.32 0.19 0.00 -0.11 0.00 0.00 41.96 38.72 1rkb s TYR 111 CO 0.00 -0.76 1.29 0.54 -1.11 0.00 0.00 175.55 175.51 1rkb s ASN 112 N -0.93 3.19 0.23 2.29 4.22 -1.26 -4.76 114.94 117.93 1rkb s ASN 112 Ca 0.47 0.36 -0.07 0.00 -2.14 0.00 0.00 52.86 51.49 1rkb s ASN 112 Cb -0.32 -0.48 0.28 0.00 1.28 0.00 0.00 41.25 42.02 1rkb s ASN 112 CO 0.41 -2.69 1.86 -0.08 -2.04 0.00 0.00 177.10 174.55 1rkb h GLU 113 N -1.61 0.97 0.11 3.55 4.81 -1.98 -0.20 114.58 120.22 1rkb h GLU 113 Ca -0.45 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1rkb h GLU 113 Cb 1.25 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1rkb h GLU 113 CO 0.42 0.64 -0.05 -0.22 -0.73 0.00 0.00 179.01 179.07 1rkb h LYS 114 N 1.00 -0.14 -0.42 1.92 3.64 -1.99 -0.93 116.57 119.65 1rkb h LYS 114 Ca 0.35 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 1rkb h LYS 114 Cb 0.08 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1rkb h LYS 114 CO -0.14 0.04 -0.05 0.87 -2.27 0.00 0.00 179.45 177.90 1rkb h LYS 115 N -0.29 0.71 -0.01 1.90 1.57 -1.89 -1.35 116.57 117.20 1rkb h LYS 115 Ca -0.01 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1rkb h LYS 115 Cb 0.24 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1rkb h LYS 115 CO 0.02 0.76 0.01 -0.07 -0.57 0.00 0.00 179.45 179.60 1rkb h LEU 116 N 0.66 0.01 -0.56 2.94 3.38 -0.88 -1.72 115.31 119.15 1rkb h LEU 116 Ca 0.12 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1rkb h LEU 116 Cb 0.48 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1rkb h LEU 116 CO 0.02 0.05 0.14 0.74 0.09 0.00 0.00 178.44 179.49 1rkb h THR 117 N -0.03 1.24 -0.31 0.22 2.02 -1.00 -0.01 112.91 115.05 1rkb h THR 117 Ca 0.00 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1rkb h THR 117 Cb 0.04 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1rkb h THR 117 CO -0.00 0.32 0.20 0.44 0.37 0.00 0.00 175.52 176.85 1rkb h ASP 118 N 0.79 0.35 0.16 4.18 3.32 -1.14 -1.73 116.42 122.35 1rkb h ASP 118 Ca 0.18 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 1rkb h ASP 118 Cb 0.33 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1rkb h ASP 118 CO 0.00 0.25 -0.70 0.78 -1.72 0.00 0.00 179.24 177.85 1rkb h ASN 119 N 0.41 0.57 -0.40 6.45 2.35 -1.22 -2.03 115.58 121.72 1rkb h ASN 119 Ca 0.11 -0.36 -0.08 0.00 -0.55 0.00 0.00 56.30 55.43 1rkb h ASN 119 Cb -0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1rkb h ASN 119 CO -0.03 1.10 -0.02 -0.29 -1.65 0.00 0.00 177.43 176.54 1rkb h ILE 120 N 0.34 1.25 -0.06 2.81 6.09 -0.88 -1.53 117.51 125.53 1rkb h ILE 120 Ca -0.03 -1.04 -0.18 0.00 -1.37 0.00 0.00 64.86 62.24 1rkb h ILE 120 Cb 1.27 0.91 -0.01 0.00 0.47 0.00 0.00 36.82 39.47 1rkb h ILE 120 CO 0.13 0.37 -0.73 1.56 -3.07 0.00 0.00 178.15 176.40 1rkb h GLN 121 N 0.74 0.33 -0.93 2.19 4.20 -1.29 -0.52 115.11 119.83 1rkb h GLN 121 Ca 0.14 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.60 1rkb h GLN 121 Cb 0.48 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 1rkb h GLN 121 CO 0.02 0.93 0.61 0.00 -0.67 0.00 0.00 178.83 179.72 1rkb h GLU 123 N 1.20 0.07 0.00 0.00 4.57 -1.13 -1.67 114.58 117.62 1rkb h GLU 123 Ca 0.36 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.45 1rkb h GLU 123 Cb -0.04 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1rkb h GLU 123 CO -0.11 0.82 -0.11 0.97 -1.18 0.00 0.00 179.01 179.40 1rkb h ILE 124 N -0.66 0.62 -0.00 2.32 2.10 -0.94 0.69 117.51 121.64 1rkb h ILE 124 Ca -0.01 -0.46 0.00 0.00 1.08 0.00 0.00 64.86 65.47 1rkb h ILE 124 Cb 0.85 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 1rkb h ILE 124 CO 0.02 0.11 -0.29 0.49 -1.08 0.00 0.00 178.15 177.39 1rkb n PHE 125 N -3.75 0.00 -3.41 2.19 0.99 0.42 -4.94 117.46 108.95 1rkb n PHE 125 Ca -0.02 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.19 1rkb n PHE 125 Cb 0.21 -0.27 0.05 0.00 -1.00 0.00 0.00 39.48 38.48 1rkb n PHE 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 1rkb n GLN 126 N -1.27 -6.37 0.02 -1.08 6.02 0.23 -4.92 117.38 110.02 1rkb n GLN 126 Ca 0.08 0.82 -0.10 0.00 -0.01 0.00 0.00 57.00 57.79 1rkb n GLN 126 Cb 0.33 -5.77 -0.03 0.00 1.02 0.00 0.00 30.24 25.78 1rkb n GLN 126 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1rkb h VAL 127 N -2.08 0.60 -0.53 5.09 2.07 -1.56 -2.10 116.25 117.74 1rkb h VAL 127 Ca -0.55 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1rkb h VAL 127 Cb 1.37 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1rkb h VAL 127 CO 0.58 0.00 0.06 -0.07 0.02 0.00 0.00 177.57 178.16 1rkb h LEU 128 N -0.21 0.80 -0.68 2.57 -0.00 -1.91 0.31 115.31 116.19 1rkb h LEU 128 Ca 0.08 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 1rkb h LEU 128 Cb 0.33 -0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 40.75 1rkb h LEU 128 CO -0.22 0.83 0.33 0.22 -0.00 0.00 0.00 178.44 179.60 1rkb h TYR 129 N 0.80 0.98 -0.46 1.13 3.20 -1.89 0.53 116.97 121.25 1rkb h TYR 129 Ca 0.16 -0.05 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 1rkb h TYR 129 Cb 0.39 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 1rkb h TYR 129 CO 0.02 0.73 -0.10 0.93 -1.64 0.00 0.00 178.16 178.10 1rkb h GLU 130 N 0.94 0.88 -0.68 1.82 4.39 -1.01 -1.72 114.58 119.20 1rkb h GLU 130 Ca 0.23 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1rkb h GLU 130 Cb 0.12 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1rkb h GLU 130 CO -0.03 0.97 0.37 1.49 -1.16 0.00 0.00 179.01 180.65 1rkb h GLU 131 N 0.72 0.94 0.09 2.33 4.81 -0.62 -1.14 114.58 121.72 1rkb h GLU 131 Ca 0.12 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1rkb h GLU 131 Cb 0.64 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1rkb h GLU 131 CO 0.04 0.71 -0.04 0.00 -0.73 0.00 0.00 179.01 178.99 1rkb h ALA 132 N 1.18 -0.12 -0.24 2.92 0.00 -0.73 -1.27 119.26 121.00 1rkb h ALA 132 Ca 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1rkb h ALA 132 Cb 0.05 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1rkb h ALA 132 CO -0.04 -0.47 0.13 1.79 0.00 0.00 0.00 179.25 180.66 1rkb h THR 133 N -0.32 1.08 0.00 0.00 1.35 -1.20 0.45 112.91 114.26 1rkb h THR 133 Ca -0.01 -0.19 -0.09 0.00 -0.55 0.00 0.00 66.41 65.56 1rkb h THR 133 Cb 0.27 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.43 1rkb h THR 133 CO 0.02 0.08 -0.44 0.00 -0.25 0.00 0.00 175.52 174.94 1rkb h ALA 134 N 1.82 0.78 0.00 6.62 0.00 -1.03 -3.33 119.26 124.13 1rkb h ALA 134 Ca 0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1rkb h ALA 134 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1rkb h ALA 134 CO -0.01 0.55 -1.68 0.43 0.00 0.00 0.00 179.25 178.53 1rkb n SER 135 N -3.30 0.44 -4.27 0.00 7.64 -0.49 -4.98 113.62 108.65 1rkb n SER 135 Ca 0.01 0.19 -0.15 0.00 1.01 0.00 0.00 58.87 59.93 1rkb n SER 135 Cb 0.65 0.94 -0.10 0.00 -1.01 0.00 0.00 64.21 64.69 1rkb n SER 135 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rkb s TYR 136 N -3.13 1.33 0.29 1.43 1.51 0.04 -4.84 117.35 114.00 1rkb s TYR 136 Ca -0.05 -0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 54.82 1rkb s TYR 136 Cb 0.10 -0.74 -0.11 0.00 -0.11 0.00 0.00 41.96 41.10 1rkb s TYR 136 CO 0.84 -0.05 1.49 0.15 -1.11 0.00 0.00 175.55 176.87 1rkb s LYS 137 N -3.84 4.20 0.60 -0.62 1.02 -1.26 -4.60 119.74 115.24 1rkb s LYS 137 Ca 0.23 2.44 0.32 0.00 0.02 0.00 0.00 55.97 58.97 1rkb s LYS 137 Cb 0.05 -3.05 1.91 0.00 -0.52 0.00 0.00 37.83 36.22 1rkb s LYS 137 CO 0.04 -0.50 2.27 1.05 -0.92 0.00 0.00 175.35 177.29 1rkb h GLU 138 N 4.51 0.00 0.00 1.68 4.11 -1.93 -1.69 114.58 121.26 1rkb h GLU 138 Ca -0.47 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.94 1rkb h GLU 138 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1rkb h GLU 138 CO 0.75 0.00 -0.07 1.05 0.07 0.00 0.00 179.01 180.81 1rkb h GLU 139 N 0.00 0.00 -0.10 1.06 4.11 -1.99 -2.78 114.58 114.88 1rkb h GLU 139 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1rkb h GLU 139 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1rkb h GLU 139 CO -0.00 0.07 0.00 0.44 0.07 0.00 0.00 179.01 179.59 1rkb n ILE 140 N -3.34 0.19 -3.69 -1.06 -5.35 -0.64 -4.94 119.36 100.52 1rkb n ILE 140 Ca -0.01 -0.59 -0.35 0.00 -0.27 0.00 0.00 62.75 61.52 1rkb n ILE 140 Cb 0.24 1.17 -0.08 0.00 -1.74 0.00 0.00 39.64 39.23 1rkb n ILE 140 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1rkb s VAL 141 N -1.23 5.39 -0.02 7.28 1.01 -1.05 -0.45 120.40 131.33 1rkb s VAL 141 Ca 0.21 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.43 1rkb s VAL 141 Cb 0.14 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1rkb s VAL 141 CO 0.20 0.42 -0.01 -1.00 0.00 0.00 0.00 175.10 174.70 1rkb s HIS 142 N 0.47 0.32 0.04 5.22 3.76 0.11 -4.96 115.29 120.25 1rkb s HIS 142 Ca 0.09 -0.03 -0.21 0.00 -0.15 0.00 0.00 55.06 54.77 1rkb s HIS 142 Cb -0.12 -0.33 -0.06 0.00 1.11 0.00 0.00 32.58 33.19 1rkb s HIS 142 CO -0.00 -0.08 0.61 -0.65 -0.85 0.00 0.00 174.74 173.76 1rkb s GLN 143 N 0.58 4.30 -0.14 1.40 -0.21 -1.26 -0.38 119.66 123.95 1rkb s GLN 143 Ca -0.06 0.79 0.01 0.00 0.02 0.00 0.00 55.36 56.13 1rkb s GLN 143 Cb -0.09 -3.30 0.02 0.00 1.00 0.00 0.00 33.01 30.64 1rkb s GLN 143 CO -0.01 0.49 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.96 1rkb s LEU 144 N -0.63 1.88 0.29 2.90 1.43 -0.13 -4.90 118.68 119.52 1rkb s LEU 144 Ca 0.31 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.59 1rkb s LEU 144 Cb -0.19 -1.27 -0.10 0.00 0.03 0.00 0.00 46.19 44.65 1rkb s LEU 144 CO 0.19 0.01 1.32 -2.16 0.23 0.00 0.00 176.35 175.93 1rkb s PRO 145 N 1.15 4.36 -0.42 1.29 0.04 -1.26 -0.42 135.00 139.74 1rkb s PRO 145 Ca -0.01 2.18 0.06 0.00 0.04 0.00 0.00 61.00 63.27 1rkb s PRO 145 Cb -0.14 -3.11 0.22 0.00 0.04 0.00 0.00 34.50 31.51 1rkb s PRO 145 CO -0.07 -0.22 0.54 0.45 0.04 0.00 0.00 177.00 177.75 1rkb n SER 146 N 1.43 -0.88 -0.00 6.66 2.88 0.88 -4.71 113.62 119.86 1rkb n SER 146 Ca 0.02 -2.71 0.01 0.00 -1.33 0.00 0.00 58.87 54.86 1rkb n SER 146 Cb 0.42 0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.89 1rkb n SER 146 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1rkb n ASN 147 N 2.05 0.14 -3.48 -3.46 4.13 -1.26 -4.52 115.26 108.86 1rkb n ASN 147 Ca 0.22 -0.57 -0.11 0.00 1.68 0.00 0.00 54.58 55.79 1rkb n ASN 147 Cb 0.53 0.92 -0.02 0.00 -1.54 0.00 0.00 39.78 39.67 1rkb n ASN 147 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1rkb s LYS 148 N -1.03 1.33 0.39 3.52 -2.85 -1.26 -5.03 119.74 114.81 1rkb s LYS 148 Ca 0.01 -0.54 0.18 0.00 -1.00 0.00 0.00 55.97 54.62 1rkb s LYS 148 Cb 0.01 0.59 1.10 0.00 -2.06 0.00 0.00 37.83 37.47 1rkb s LYS 148 CO 0.04 -0.58 1.75 -1.35 0.10 0.00 0.00 175.35 175.31 1rkb h PRO 149 N 2.01 0.38 -0.73 1.78 0.11 -1.99 0.85 132.00 134.41 1rkb h PRO 149 Ca -0.32 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.73 1rkb h PRO 149 Cb 1.30 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1rkb h PRO 149 CO 0.37 0.25 0.31 1.49 -0.21 0.00 0.00 178.00 180.21 1rkb h GLU 150 N 0.39 1.08 0.00 1.05 4.22 -1.99 -0.45 114.58 118.88 1rkb h GLU 150 Ca 0.62 -0.18 -0.21 0.00 0.08 0.00 0.00 59.36 59.68 1rkb h GLU 150 Cb 1.56 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.62 1rkb h GLU 150 CO -0.33 0.86 -0.90 0.93 -2.18 0.00 0.00 179.01 177.39 1rkb h GLU 151 N 1.06 0.29 -0.67 1.92 5.08 -1.20 -1.85 114.58 119.21 1rkb h GLU 151 Ca 0.25 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1rkb h GLU 151 Cb 0.17 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1rkb h GLU 151 CO -0.02 1.02 0.40 1.25 -1.00 0.00 0.00 179.01 180.65 1rkb h LEU 152 N 0.16 0.81 -0.63 1.33 5.85 -0.94 0.70 115.31 122.59 1rkb h LEU 152 Ca -0.06 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1rkb h LEU 152 Cb 1.53 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1rkb h LEU 152 CO 0.15 0.64 0.23 -0.08 -0.34 0.00 0.00 178.44 179.03 1rkb h GLU 153 N 0.91 0.96 -0.45 1.25 4.81 -0.98 -0.68 114.58 120.39 1rkb h GLU 153 Ca 0.24 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1rkb h GLU 153 Cb -0.02 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1rkb h GLU 153 CO -0.04 0.82 -0.04 -0.91 -0.73 0.00 0.00 179.01 178.11 1rkb h ASN 154 N 0.89 0.74 -0.21 1.04 -0.26 -0.80 -1.82 115.58 115.15 1rkb h ASN 154 Ca 0.21 -0.19 -0.05 0.00 -0.56 0.00 0.00 56.30 55.71 1rkb h ASN 154 Cb 0.24 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1rkb h ASN 154 CO -0.01 0.83 -0.06 0.78 -1.06 0.00 0.00 177.43 177.90 1rkb h ASN 155 N 0.71 0.42 -0.36 5.81 2.35 -0.47 -1.07 115.58 122.96 1rkb h ASN 155 Ca 0.13 -0.37 0.02 0.00 -0.55 0.00 0.00 56.30 55.53 1rkb h ASN 155 Cb 0.48 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1rkb h ASN 155 CO 0.02 0.70 0.20 0.58 -1.65 0.00 0.00 177.43 177.28 1rkb h VAL 156 N 0.14 1.02 -0.20 2.81 2.07 -1.03 -0.53 116.25 120.53 1rkb h VAL 156 Ca 0.05 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1rkb h VAL 156 Cb 0.52 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1rkb h VAL 156 CO 0.02 0.07 0.10 -0.78 0.02 0.00 0.00 177.57 177.01 1rkb h ASP 157 N 0.41 0.26 -0.64 0.57 3.58 -1.26 -0.66 116.42 118.68 1rkb h ASP 157 Ca 0.15 -0.12 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 1rkb h ASP 157 Cb 0.02 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1rkb h ASP 157 CO -0.08 0.30 0.06 1.56 -2.88 0.00 0.00 179.24 178.20 1rkb h GLN 158 N 0.20 1.09 -0.23 0.28 1.08 -1.02 -2.19 115.11 114.32 1rkb h GLN 158 Ca 0.07 -0.31 -0.17 0.00 -1.45 0.00 0.00 58.65 56.78 1rkb h GLN 158 Cb 0.11 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1rkb h GLN 158 CO -0.01 1.02 -0.54 0.82 -0.95 0.00 0.00 178.83 179.17 1rkb h ILE 159 N 1.01 1.30 -0.74 2.54 2.04 -1.00 -1.19 117.51 121.48 1rkb h ILE 159 Ca 0.19 -1.76 -0.04 0.00 1.00 0.00 0.00 64.86 64.25 1rkb h ILE 159 Cb 0.49 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1rkb h ILE 159 CO 0.02 0.56 0.32 -0.07 0.00 0.00 0.00 178.15 178.98 1rkb h LEU 160 N 0.54 0.98 -0.65 1.44 3.38 -1.01 0.32 115.31 120.31 1rkb h LEU 160 Ca 0.01 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 1rkb h LEU 160 Cb 1.11 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1rkb h LEU 160 CO 0.11 0.86 -0.41 0.11 0.09 0.00 0.00 178.44 179.21 1rkb h LYS 161 N 1.06 0.59 -0.47 1.13 1.57 -1.26 -1.69 116.57 117.49 1rkb h LYS 161 Ca 0.25 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1rkb h LYS 161 Cb 0.17 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1rkb h LYS 161 CO -0.03 0.89 0.17 2.35 -0.57 0.00 0.00 179.45 182.26 1rkb h TRP 162 N 0.48 0.74 -0.40 -1.35 7.01 -0.51 -2.03 115.95 119.89 1rkb h TRP 162 Ca 0.04 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1rkb h TRP 162 Cb 0.91 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1rkb h TRP 162 CO 0.04 0.65 0.26 0.82 -2.79 0.00 0.00 178.44 177.41 1rkb h ILE 163 N 0.63 1.12 -0.33 2.65 2.04 -0.75 -0.43 117.51 122.43 1rkb h ILE 163 Ca 0.15 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1rkb h ILE 163 Cb 0.24 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1rkb h ILE 163 CO -0.01 0.12 0.22 -0.08 0.00 0.00 0.00 178.15 178.40 1rkb h GLU 164 N 0.54 0.43 -0.70 2.37 4.81 -1.15 -0.70 114.58 120.19 1rkb h GLU 164 Ca 0.15 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1rkb h GLU 164 Cb -0.03 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1rkb h GLU 164 CO -0.03 0.29 0.21 0.37 -0.73 0.00 0.00 179.01 179.11 1rkb h GLN 165 N 0.44 1.09 -0.42 1.92 5.75 -1.16 -2.27 115.11 120.47 1rkb h GLN 165 Ca 0.12 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.36 1rkb h GLN 165 Cb -0.05 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 1rkb h GLN 165 CO -0.03 0.94 0.18 2.35 -2.65 0.00 0.00 178.83 179.63 1rkb h TRP 166 N 1.03 0.62 -0.78 3.99 7.01 -0.77 -0.75 115.95 126.29 1rkb h TRP 166 Ca 0.22 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.18 1rkb h TRP 166 Cb 0.32 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.15 1rkb h TRP 166 CO 0.02 0.53 0.49 0.82 -2.79 0.00 0.00 178.44 177.52 1rkb h ILE 167 N 0.53 1.21 0.08 2.65 2.04 -0.98 -0.90 117.51 122.14 1rkb h ILE 167 Ca 0.14 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 1rkb h ILE 167 Cb 0.16 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1rkb h ILE 167 CO -0.01 0.21 -0.04 0.50 0.00 0.00 0.00 178.15 178.81 1rkb h LYS 168 N 1.07 -0.10 0.00 2.37 3.64 -1.12 -2.28 116.57 120.14 1rkb h LYS 168 Ca 0.28 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1rkb h LYS 168 Cb -0.08 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1rkb h LYS 168 CO -0.06 0.07 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.69 1rkb h ASP 169 N -0.25 0.00 -0.27 4.20 3.45 -0.91 -2.95 116.42 119.68 1rkb h ASP 169 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1rkb h ASP 169 Cb 0.21 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.98 1rkb h ASP 169 CO 0.02 0.06 0.00 1.41 -1.57 0.00 0.00 179.24 179.16 1rkb n HIS 170 N -3.92 0.96 -2.97 4.55 8.25 -0.36 -4.50 115.22 117.23 1rkb n HIS 170 Ca -0.03 -0.87 -0.14 0.00 -0.26 0.00 0.00 57.72 56.43 1rkb n HIS 170 Cb 0.15 -0.31 0.01 0.00 1.12 0.00 0.00 29.99 30.96 1rkb n HIS 170 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1rkb n ASN 171 N -0.46 0.33 0.00 0.41 4.13 -0.88 -4.67 115.26 114.13 1rkb n ASN 171 Ca 0.21 -3.01 0.13 0.00 1.68 0.00 0.00 54.58 53.59 1rkb n ASN 171 Cb 0.89 -0.12 0.75 0.00 -1.54 0.00 0.00 39.78 39.77 1rkb n ASN 171 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00