#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4q n GLN 2 N 0.00 0.00 0.04 0.00 6.02 -1.26 -3.71 117.38 118.47 1b4q n GLN 2 Ca 0.00 0.44 0.03 0.00 -0.01 0.00 0.00 57.00 57.46 1b4q n GLN 2 Cb 0.00 -0.98 0.16 0.00 1.02 0.00 0.00 30.24 30.44 1b4q n GLN 2 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1b4q n GLU 3 N -1.83 0.04 0.00 -1.09 1.02 -1.26 -2.37 120.64 115.15 1b4q n GLU 3 Ca 0.00 0.52 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1b4q n GLU 3 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1b4q n GLU 3 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1b4q n PHE 4 N -1.69 0.00 0.01 -0.32 3.01 -1.24 -1.53 117.46 115.70 1b4q n PHE 4 Ca -0.00 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 1b4q n PHE 4 Cb 0.03 -0.34 -0.01 0.00 -0.01 0.00 0.00 39.48 39.14 1b4q n PHE 4 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1b4q h VAL 5 N 0.00 1.32 -0.91 -4.37 -1.51 -1.67 -3.07 116.25 106.05 1b4q h VAL 5 Ca 0.00 -1.99 0.10 0.00 -1.23 0.00 0.00 66.70 63.58 1b4q h VAL 5 Cb 0.00 1.97 -0.07 0.00 -2.13 0.00 0.00 31.29 31.06 1b4q h VAL 5 CO 0.00 0.62 0.59 0.78 -1.23 0.00 0.00 177.57 178.32 1b4q h ASN 6 N 0.43 0.82 0.71 4.19 4.21 -1.59 0.66 115.58 125.01 1b4q h ASN 6 Ca -0.03 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1b4q h ASN 6 Cb 1.30 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.36 1b4q h ASN 6 CO 0.14 0.47 0.00 -1.20 -1.29 0.00 0.00 177.43 175.55 1b4q n SER 7 N -4.54 0.00 -0.11 5.81 7.64 -0.58 -3.61 113.62 118.24 1b4q n SER 7 Ca 0.16 0.50 -0.20 0.00 1.01 0.00 0.00 58.87 60.34 1b4q n SER 7 Cb 0.32 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 62.94 1b4q n SER 7 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1b4q n LYS 8 N -1.50 0.55 -2.68 1.43 4.76 0.21 -4.89 118.16 116.03 1b4q n LYS 8 Ca 0.05 0.37 -0.42 0.00 -2.87 0.00 0.00 58.31 55.44 1b4q n LYS 8 Cb 0.24 -1.57 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 1b4q n LYS 8 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1b4q s ILE 9 N -2.52 4.78 0.05 -0.18 -4.36 0.25 -4.89 121.20 114.33 1b4q s ILE 9 Ca -0.31 2.01 -0.13 0.00 -0.26 0.00 0.00 60.65 61.97 1b4q s ILE 9 Cb 0.08 -4.29 0.02 0.00 1.25 0.00 0.00 42.46 39.52 1b4q s ILE 9 CO 0.46 0.09 0.28 0.00 0.24 0.00 0.00 174.94 176.02 1b4q s GLN 10 N 1.43 0.81 0.15 0.37 -2.07 -1.26 -4.80 119.66 114.29 1b4q s GLN 10 Ca 0.51 -0.58 -0.34 0.00 -1.82 0.00 0.00 55.36 53.13 1b4q s GLN 10 Cb -0.20 0.35 -0.14 0.00 -1.09 0.00 0.00 33.01 31.92 1b4q s GLN 10 CO 0.24 -0.26 1.55 -2.30 -1.32 0.00 0.00 175.29 173.20 1b4q n PRO 11 N 0.49 2.04 -1.43 9.60 -0.02 -1.26 -1.81 135.00 142.60 1b4q n PRO 11 Ca -0.18 0.73 -0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1b4q n PRO 11 Cb 0.60 -2.49 -0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1b4q n PRO 11 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b4q n GLY 12 N 3.30 0.43 2.91 -1.23 0.00 -1.26 -5.00 105.19 104.33 1b4q n GLY 12 Ca 0.17 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 1b4q n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b4q s LYS 13 N -2.90 0.07 -0.15 1.61 2.20 -0.75 -4.77 119.74 115.06 1b4q s LYS 13 Ca 0.00 0.25 -0.08 0.00 -0.36 0.00 0.00 55.97 55.79 1b4q s LYS 13 Cb 0.00 -0.12 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 1b4q s LYS 13 CO 0.00 -0.12 0.13 0.08 -0.36 0.00 0.00 175.35 175.09 1b4q s VAL 14 N 0.78 5.44 -0.01 4.02 1.01 -0.73 -1.60 120.40 129.31 1b4q s VAL 14 Ca -0.06 0.19 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1b4q s VAL 14 Cb -0.08 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1b4q s VAL 14 CO -0.03 0.56 0.05 0.54 0.00 0.00 0.00 175.10 176.22 1b4q s VAL 15 N -0.55 0.05 -0.08 2.92 0.11 -1.23 -3.07 120.40 118.55 1b4q s VAL 15 Ca 0.12 -0.38 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 1b4q s VAL 15 Cb -0.12 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1b4q s VAL 15 CO 0.02 -0.21 -0.11 -0.69 -3.33 0.00 0.00 175.10 170.78 1b4q s VAL 16 N -0.64 1.13 -0.21 2.04 1.01 -1.12 -2.30 120.40 120.31 1b4q s VAL 16 Ca -0.07 -0.44 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 1b4q s VAL 16 Cb -0.04 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1b4q s VAL 16 CO 0.00 0.37 0.48 -0.36 0.00 0.00 0.00 175.10 175.58 1b4q s PHE 17 N 0.98 3.36 0.26 5.22 0.40 -1.08 0.20 117.98 127.32 1b4q s PHE 17 Ca -0.09 0.70 0.03 0.00 -0.60 0.00 0.00 56.93 56.98 1b4q s PHE 17 Cb -0.15 -2.63 -0.01 0.00 0.51 0.00 0.00 43.02 40.74 1b4q s PHE 17 CO -0.00 -0.10 0.12 0.44 0.70 0.00 0.00 175.22 176.38 1b4q n ILE 18 N 4.57 0.00 -3.43 0.64 -5.35 -0.15 -2.41 119.36 113.23 1b4q n ILE 18 Ca -0.06 -1.61 -0.24 0.00 -0.27 0.00 0.00 62.75 60.58 1b4q n ILE 18 Cb 0.51 0.63 -0.11 0.00 -1.74 0.00 0.00 39.64 38.93 1b4q n ILE 18 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1b4q s LYS 19 N -3.01 0.49 -0.53 6.28 1.02 -1.26 -2.56 119.74 120.18 1b4q s LYS 19 Ca 0.17 -0.93 -0.12 0.00 0.02 0.00 0.00 55.97 55.12 1b4q s LYS 19 Cb 0.01 -1.02 -0.13 0.00 -0.52 0.00 0.00 37.83 36.17 1b4q s LYS 19 CO 0.12 -1.16 1.60 -2.30 -0.92 0.00 0.00 175.35 172.70 1b4q n PRO 20 N 4.43 0.07 0.00 -1.68 -0.02 -1.26 -1.99 135.00 134.55 1b4q n PRO 20 Ca 0.07 -0.60 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 1b4q n PRO 20 Cb 0.41 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1b4q n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1b4q n THR 21 N 6.41 0.00 -3.63 3.45 -2.24 -1.26 -5.12 114.28 111.88 1b4q n THR 21 Ca 0.25 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.67 1b4q n THR 21 Cb 0.44 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.60 1b4q n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4q h PRO 23 N 6.57 0.00 -0.21 0.00 0.11 -1.99 -2.65 132.00 133.83 1b4q h PRO 23 Ca -0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 1b4q h PRO 23 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b4q h PRO 23 CO 0.75 0.00 -0.27 1.88 -0.21 0.00 0.00 178.00 180.15 1b4q h TYR 24 N 0.00 0.68 -0.17 0.65 -1.99 -1.93 -1.70 116.97 112.51 1b4q h TYR 24 Ca 0.00 -0.22 -0.05 0.00 2.00 0.00 0.00 58.73 60.46 1b4q h TYR 24 Cb 0.03 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.61 1b4q h TYR 24 CO 0.00 0.93 -0.14 0.77 -0.00 0.00 0.00 178.16 179.72 1b4q h SER 25 N 0.24 0.26 -0.47 3.88 0.02 -1.68 -2.10 113.55 113.69 1b4q h SER 25 Ca 0.03 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1b4q h SER 25 Cb 0.84 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1b4q h SER 25 CO 0.06 0.43 0.15 0.03 -1.14 0.00 0.00 176.83 176.36 1b4q h ARG 26 N 0.26 0.74 -0.68 3.45 2.47 -1.44 -2.14 114.38 117.03 1b4q h ARG 26 Ca 0.05 -0.16 0.13 0.00 -1.26 0.00 0.00 59.98 58.74 1b4q h ARG 26 Cb 0.41 -0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 28.53 1b4q h ARG 26 CO 0.02 0.70 0.22 0.00 0.56 0.00 0.00 179.97 181.48 1b4q h ARG 27 N 0.63 0.35 -0.77 0.04 3.08 -0.61 0.80 114.38 117.91 1b4q h ARG 27 Ca 0.15 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1b4q h ARG 27 Cb 0.27 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1b4q h ARG 27 CO -0.00 0.23 0.47 0.00 -1.07 0.00 0.00 179.97 179.60 1b4q h ALA 28 N 1.51 1.37 -0.28 0.04 0.00 -1.26 0.35 119.26 120.99 1b4q h ALA 28 Ca 0.37 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.06 1b4q h ALA 28 Cb 0.54 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1b4q h ALA 28 CO -0.40 0.55 -0.34 1.96 0.00 0.00 0.00 179.25 181.02 1b4q h GLN 29 N 1.06 0.73 -0.33 0.00 4.20 0.38 -1.83 115.11 119.33 1b4q h GLN 29 Ca 0.28 -0.41 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 1b4q h GLN 29 Cb -0.05 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1b4q h GLN 29 CO -0.05 1.03 -0.40 0.93 -0.67 0.00 0.00 178.83 179.67 1b4q h GLU 30 N 0.48 0.79 0.13 1.46 5.08 0.10 -2.35 114.58 120.27 1b4q h GLU 30 Ca 0.04 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 1b4q h GLU 30 Cb 0.92 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1b4q h GLU 30 CO 0.08 1.05 -0.06 0.97 -1.00 0.00 0.00 179.01 180.05 1b4q h ILE 31 N 0.65 0.31 -0.03 3.13 -0.00 -0.32 -3.23 117.51 118.00 1b4q h ILE 31 Ca 0.05 -1.05 0.01 0.00 -0.00 0.00 0.00 64.86 63.87 1b4q h ILE 31 Cb 0.96 0.55 -0.00 0.00 -0.00 0.00 0.00 36.82 38.33 1b4q h ILE 31 CO 0.09 0.09 0.12 -0.07 -0.00 0.00 0.00 178.15 178.39 1b4q h LEU 32 N -1.02 0.00 -1.76 2.19 3.38 -1.46 0.36 115.31 117.00 1b4q h LEU 32 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1b4q h LEU 32 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1b4q h LEU 32 CO 0.03 0.00 -0.15 0.28 0.09 0.00 0.00 178.44 178.69 1b4q h SER 33 N 0.00 0.00 -0.07 -0.43 0.02 -1.44 -1.32 113.55 110.30 1b4q h SER 33 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1b4q h SER 33 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1b4q h SER 33 CO -0.00 0.15 0.00 0.00 -1.14 0.00 0.00 176.83 175.84 1b4q n GLN 34 N -3.63 1.78 -3.21 3.45 1.13 0.13 -4.85 117.38 112.18 1b4q n GLN 34 Ca -0.02 -1.15 -0.39 0.00 -1.94 0.00 0.00 57.00 53.50 1b4q n GLN 34 Cb 0.27 -1.46 -0.06 0.00 0.11 0.00 0.00 30.24 29.11 1b4q n GLN 34 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1b4q s LEU 35 N -1.86 4.21 -0.57 1.08 1.43 -0.50 -4.94 118.68 117.53 1b4q s LEU 35 Ca 0.36 0.83 -0.20 0.00 -1.03 0.00 0.00 54.13 54.09 1b4q s LEU 35 Cb 0.20 -2.79 -0.18 0.00 0.03 0.00 0.00 46.19 43.45 1b4q s LEU 35 CO 0.31 -0.13 1.81 -0.81 0.23 0.00 0.00 176.35 177.76 1b4q n PRO 36 N 4.33 1.15 -2.77 1.29 -0.04 -1.26 -4.90 135.00 132.81 1b4q n PRO 36 Ca -0.04 -1.50 -0.33 0.00 -0.04 0.00 0.00 63.50 61.59 1b4q n PRO 36 Cb 0.51 -2.68 -0.06 0.00 -0.04 0.00 0.00 33.50 31.22 1b4q n PRO 36 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b4q s ILE 37 N 5.18 4.42 0.00 0.52 -1.09 -1.26 -2.67 121.20 126.30 1b4q s ILE 37 Ca 0.53 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 1b4q s ILE 37 Cb 0.13 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 1b4q s ILE 37 CO 0.14 -0.37 0.00 0.29 -1.23 0.00 0.00 174.94 173.76 1b4q n LYS 38 N -0.77 -0.65 0.00 2.79 5.02 -1.13 -4.79 118.16 118.63 1b4q n LYS 38 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1b4q n LYS 38 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1b4q n LYS 38 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1b4q n GLN 39 N -1.32 0.00 -0.51 1.97 1.13 -1.26 -3.92 117.38 113.46 1b4q n GLN 39 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1b4q n GLN 39 Cb 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.29 1b4q n GLN 39 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1b4q n GLY 40 N 0.00 2.24 0.04 1.08 0.00 -1.26 -3.83 105.19 103.45 1b4q n GLY 40 Ca 0.00 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.45 1b4q n GLY 40 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4q n LEU 41 N 3.27 0.00 -4.69 0.99 7.94 -1.25 -4.89 117.00 118.36 1b4q n LEU 41 Ca 0.26 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.81 1b4q n LEU 41 Cb 0.33 0.16 -0.09 0.00 0.53 0.00 0.00 43.42 44.35 1b4q n LEU 41 CO 0.34 0.16 -0.23 -0.22 -1.11 0.00 0.00 177.39 176.33 1b4q s LEU 42 N -4.76 3.95 0.26 -1.96 2.96 -1.25 -1.77 118.68 116.11 1b4q s LEU 42 Ca -0.08 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 1b4q s LEU 42 Cb 0.11 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 1b4q s LEU 42 CO 0.84 0.22 0.23 -0.70 -1.32 0.00 0.00 176.35 175.62 1b4q s GLU 43 N 0.11 1.48 -0.19 1.98 2.12 -1.17 -5.04 118.70 117.98 1b4q s GLU 43 Ca 0.06 -1.75 -0.03 0.00 0.36 0.00 0.00 54.97 53.61 1b4q s GLU 43 Cb -0.12 0.32 0.06 0.00 0.26 0.00 0.00 34.13 34.65 1b4q s GLU 43 CO 0.00 -0.53 0.04 -0.06 -0.54 0.00 0.00 175.26 174.17 1b4q s PHE 44 N -3.81 0.93 -0.54 5.30 0.08 -1.26 -2.80 117.98 115.87 1b4q s PHE 44 Ca 0.38 -0.80 -0.20 0.00 0.12 0.00 0.00 56.93 56.43 1b4q s PHE 44 Cb 0.04 -0.99 0.07 0.00 -0.57 0.00 0.00 43.02 41.57 1b4q s PHE 44 CO 0.18 -0.60 0.69 0.08 -0.10 0.00 0.00 175.22 175.46 1b4q s VAL 45 N 1.89 4.80 -0.69 -0.44 1.01 0.54 -4.93 120.40 122.58 1b4q s VAL 45 Ca -0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 1b4q s VAL 45 Cb -0.17 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 31.85 1b4q s VAL 45 CO -0.08 -0.96 1.22 -1.81 0.00 0.00 0.00 175.10 173.47 1b4q s ASP 46 N 3.05 6.23 0.00 3.32 1.11 -1.26 -0.97 116.67 128.14 1b4q s ASP 46 Ca 0.15 -0.38 0.05 0.00 0.18 0.00 0.00 52.55 52.55 1b4q s ASP 46 Cb -0.20 -2.54 0.29 0.00 1.07 0.00 0.00 42.92 41.54 1b4q s ASP 46 CO 0.10 -1.71 0.86 2.30 1.18 0.00 0.00 175.17 177.91 1b4q n ILE 47 N 6.39 0.34 -0.07 0.77 -5.35 -1.06 -1.53 119.36 118.85 1b4q n ILE 47 Ca 0.03 0.08 -0.09 0.00 -0.27 0.00 0.00 62.75 62.51 1b4q n ILE 47 Cb 0.49 -1.00 -0.15 0.00 -1.74 0.00 0.00 39.64 37.23 1b4q n ILE 47 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1b4q n THR 48 N -1.10 1.45 1.02 7.28 -2.24 -1.26 -3.51 114.28 115.92 1b4q n THR 48 Ca 0.03 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1b4q n THR 48 Cb 0.03 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1b4q n THR 48 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4q n ALA 49 N -2.67 2.33 -0.02 6.98 0.00 -0.58 -2.96 120.51 123.59 1b4q n ALA 49 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1b4q n ALA 49 Cb 1.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.56 1b4q n ALA 49 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1b4q n THR 50 N -0.03 0.00 -4.07 0.00 5.66 -1.25 -5.06 114.28 109.52 1b4q n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1b4q n THR 50 Cb 0.18 0.61 0.00 0.00 -1.55 0.00 0.00 70.33 69.57 1b4q n THR 50 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1b4q n ASN 51 N 0.00 -0.24 -0.33 1.09 6.94 -1.15 -4.84 115.26 116.73 1b4q n ASN 51 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.53 1b4q n ASN 51 Cb 0.00 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 1b4q n ASN 51 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1b4q n HIS 52 N -0.03 -0.07 -0.07 -2.53 8.25 -1.26 -4.76 115.22 114.75 1b4q n HIS 52 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1b4q n HIS 52 Cb 0.00 -1.79 -0.02 0.00 1.12 0.00 0.00 29.99 29.30 1b4q n HIS 52 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1b4q n THR 53 N -1.50 -0.12 -0.09 1.59 -1.04 -1.26 0.91 114.28 112.79 1b4q n THR 53 Ca -0.03 1.36 0.20 0.00 -2.04 0.00 0.00 64.05 63.53 1b4q n THR 53 Cb 0.37 -1.77 0.63 0.00 -1.82 0.00 0.00 70.33 67.74 1b4q n THR 53 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1b4q h ASN 54 N 0.00 0.14 -0.23 8.00 -0.26 -1.92 -1.55 115.58 119.77 1b4q h ASN 54 Ca 0.03 0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 1b4q h ASN 54 Cb 0.07 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 1b4q h ASN 54 CO -0.16 0.07 0.03 -0.33 -1.06 0.00 0.00 177.43 175.98 1b4q h GLU 55 N 0.14 0.38 0.22 0.81 5.08 0.18 0.32 114.58 121.71 1b4q h GLU 55 Ca 0.32 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1b4q h GLU 55 Cb 1.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1b4q h GLU 55 CO -0.05 0.52 -0.11 0.82 -1.00 0.00 0.00 179.01 179.20 1b4q h ILE 56 N 0.18 0.85 -0.71 3.13 5.03 -0.33 -0.19 117.51 125.47 1b4q h ILE 56 Ca 0.07 -0.53 0.05 0.00 -0.12 0.00 0.00 64.86 64.33 1b4q h ILE 56 Cb 0.33 1.16 -0.05 0.00 -3.03 0.00 0.00 36.82 35.22 1b4q h ILE 56 CO 0.00 0.12 0.42 1.56 -0.68 0.00 0.00 178.15 179.57 1b4q h GLN 57 N -0.57 0.76 -0.71 2.37 4.20 -1.44 1.05 115.11 120.77 1b4q h GLN 57 Ca -0.03 -0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.77 1b4q h GLN 57 Cb 0.42 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 1b4q h GLN 57 CO 0.05 0.50 0.48 -0.44 -0.67 0.00 0.00 178.83 178.75 1b4q h ASP 58 N 0.78 0.36 0.01 1.46 3.32 -0.16 0.35 116.42 122.54 1b4q h ASP 58 Ca 0.31 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 1b4q h ASP 58 Cb 0.14 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1b4q h ASP 58 CO -0.16 0.19 -0.11 0.22 -1.72 0.00 0.00 179.24 177.66 1b4q h TYR 59 N 0.39 0.08 -0.78 4.55 3.20 0.19 -3.19 116.97 121.41 1b4q h TYR 59 Ca 0.34 -0.05 0.19 0.00 3.14 0.00 0.00 58.73 62.35 1b4q h TYR 59 Cb 0.79 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1b4q h TYR 59 CO -0.00 0.99 0.54 -0.07 -1.64 0.00 0.00 178.16 177.97 1b4q h LEU 60 N -0.85 0.25 0.38 2.82 3.38 0.20 -0.24 115.31 121.25 1b4q h LEU 60 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1b4q h LEU 60 Cb 1.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1b4q h LEU 60 CO 0.02 0.11 -0.19 -0.61 0.09 0.00 0.00 178.44 177.86 1b4q h GLN 61 N 0.26 -0.51 -0.10 1.13 5.75 -0.37 0.38 115.11 121.65 1b4q h GLN 61 Ca 0.39 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.90 1b4q h GLN 61 Cb 1.14 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.80 1b4q h GLN 61 CO -0.09 -0.34 -0.01 0.37 -2.65 0.00 0.00 178.83 176.10 1b4q h GLN 62 N -0.53 0.19 -0.65 1.69 4.15 -1.10 0.99 115.11 119.86 1b4q h GLN 62 Ca -0.05 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.24 1b4q h GLN 62 Cb 0.41 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1b4q h GLN 62 CO 0.08 0.47 0.13 1.25 -1.93 0.00 0.00 178.83 178.83 1b4q h LEU 63 N -0.12 0.98 0.00 -2.39 6.46 -1.11 -3.39 115.31 115.74 1b4q h LEU 63 Ca 0.03 -0.21 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1b4q h LEU 63 Cb 0.40 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 1b4q h LEU 63 CO 0.01 0.96 -0.22 0.35 -0.62 0.00 0.00 178.44 178.92 1b4q n THR 64 N -4.23 0.47 0.00 1.05 -2.24 0.13 -5.06 114.28 104.40 1b4q n THR 64 Ca 0.05 0.30 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1b4q n THR 64 Cb 0.27 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 1b4q n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b4q n GLY 65 N 2.14 4.14 3.82 3.38 0.00 0.34 -4.99 105.19 114.03 1b4q n GLY 65 Ca -0.03 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 1b4q n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4q s ALA 66 N 0.00 3.77 -0.33 4.61 0.00 -1.26 -4.74 121.76 123.81 1b4q s ALA 66 Ca 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.51 1b4q s ALA 66 Cb 0.00 -2.15 0.70 0.00 0.00 0.00 0.00 23.12 21.67 1b4q s ALA 66 CO 0.00 0.43 1.77 2.89 0.00 0.00 0.00 175.76 180.84 1b4q n ARG 67 N 2.48 3.24 -2.07 0.00 -4.01 -1.26 -4.25 116.66 110.78 1b4q n ARG 67 Ca -0.17 -3.07 -0.27 0.00 -1.04 0.00 0.00 57.85 53.29 1b4q n ARG 67 Cb 0.53 -2.15 0.07 0.00 -3.04 0.00 0.00 32.46 27.88 1b4q n ARG 67 CO 0.00 0.00 0.00 0.99 -3.04 0.00 0.00 177.63 175.58 1b4q s THR 68 N -3.06 2.30 -0.06 8.89 2.01 -1.26 -5.01 115.64 119.44 1b4q s THR 68 Ca 0.54 -0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.45 1b4q s THR 68 Cb 0.44 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 1b4q s THR 68 CO 0.11 -0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.17 1b4q s VAL 69 N -3.37 3.14 0.00 3.82 1.01 -1.26 -4.32 120.40 119.42 1b4q s VAL 69 Ca 0.60 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1b4q s VAL 69 Cb -0.11 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.02 1b4q s VAL 69 CO 0.47 0.58 0.00 -0.81 0.00 0.00 0.00 175.10 175.34 1b4q n PRO 70 N 2.47 0.76 -3.43 2.72 -0.04 -1.26 -4.42 135.00 131.79 1b4q n PRO 70 Ca -0.17 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 1b4q n PRO 70 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.88 1b4q n PRO 70 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1b4q s ARG 71 N -1.33 0.50 0.48 0.54 6.06 -1.01 -4.27 118.95 119.92 1b4q s ARG 71 Ca 0.00 -0.92 -0.12 0.00 -2.50 0.00 0.00 55.73 52.20 1b4q s ARG 71 Cb 0.00 -1.02 -0.06 0.00 0.06 0.00 0.00 34.95 33.93 1b4q s ARG 71 CO 0.00 -1.16 0.87 0.08 -2.50 0.00 0.00 175.30 172.60 1b4q s VAL 72 N 1.49 4.72 -0.35 7.11 1.01 -1.03 -2.62 120.40 130.72 1b4q s VAL 72 Ca 0.15 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.92 1b4q s VAL 72 Cb -0.18 -3.77 0.15 0.00 0.00 0.00 0.00 36.38 32.57 1b4q s VAL 72 CO -0.10 -0.71 0.33 -0.36 0.00 0.00 0.00 175.10 174.25 1b4q s PHE 73 N -2.62 -0.12 -0.49 5.22 0.08 -0.98 -3.64 117.98 115.44 1b4q s PHE 73 Ca 0.53 -0.87 -0.28 0.00 0.12 0.00 0.00 56.93 56.43 1b4q s PHE 73 Cb -0.10 -0.52 -0.00 0.00 -0.57 0.00 0.00 43.02 41.83 1b4q s PHE 73 CO 0.37 -0.93 1.58 0.42 -0.10 0.00 0.00 175.22 176.56 1b4q s ILE 74 N 1.53 3.66 0.00 0.64 -1.09 -0.58 -3.46 121.20 121.90 1b4q s ILE 74 Ca 0.16 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1b4q s ILE 74 Cb -0.16 -4.12 0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1b4q s ILE 74 CO -0.08 -0.86 0.00 0.61 -1.23 0.00 0.00 174.94 173.38 1b4q n GLY 75 N 5.34 0.77 0.10 6.18 0.00 -0.63 -1.15 105.19 115.80 1b4q n GLY 75 Ca 0.17 -0.72 0.10 0.00 0.00 0.00 0.00 46.02 45.56 1b4q n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b4q n LYS 76 N 0.00 1.13 -3.00 1.61 5.02 -1.26 -4.47 118.16 117.18 1b4q n LYS 76 Ca 0.00 -0.20 -0.43 0.00 -2.02 0.00 0.00 58.31 55.66 1b4q n LYS 76 Cb 0.00 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.64 1b4q n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1b4q s ASP 77 N -1.59 6.36 0.32 4.39 1.01 -0.30 -5.04 116.67 121.82 1b4q s ASP 77 Ca 0.29 -0.29 -0.28 0.00 0.71 0.00 0.00 52.55 52.99 1b4q s ASP 77 Cb 0.14 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.61 1b4q s ASP 77 CO 0.23 -0.92 1.09 -0.55 0.21 0.00 0.00 175.17 175.22 1b4q s SER 78 N 2.25 7.08 -0.00 0.27 0.15 -1.26 -1.53 113.70 120.66 1b4q s SER 78 Ca 0.26 2.20 0.09 0.00 0.70 0.00 0.00 55.95 59.21 1b4q s SER 78 Cb -0.13 -2.61 -0.12 0.00 -1.71 0.00 0.00 66.02 61.45 1b4q s SER 78 CO 0.20 -0.27 0.33 2.30 1.20 0.00 0.00 173.24 177.00 1b4q n ILE 79 N 0.76 0.00 0.00 6.45 -6.64 -1.24 -4.91 119.36 113.78 1b4q n ILE 79 Ca 0.01 -0.26 0.00 0.00 -1.77 0.00 0.00 62.75 60.73 1b4q n ILE 79 Cb 0.46 0.77 0.00 0.00 -1.44 0.00 0.00 39.64 39.44 1b4q n ILE 79 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1b4q n GLY 80 N 1.45 0.47 0.00 3.28 0.00 -1.26 -4.61 105.19 104.52 1b4q n GLY 80 Ca 0.01 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 43.77 1b4q n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4q n GLY 81 N 0.00 1.23 0.23 -0.02 0.00 -1.26 -2.47 105.19 102.90 1b4q n GLY 81 Ca 0.00 -1.57 -0.08 0.00 0.00 0.00 0.00 46.02 44.37 1b4q n GLY 81 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1b4q h SER 82 N 0.00 -0.42 -0.63 1.61 0.87 -1.80 -1.94 113.55 111.24 1b4q h SER 82 Ca 0.00 -0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 1b4q h SER 82 Cb 0.00 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 1b4q h SER 82 CO 0.00 0.03 0.63 -1.28 -0.53 0.00 0.00 176.83 175.67 1b4q h SER 83 N -1.12 0.00 -0.01 6.23 0.87 -1.94 0.26 113.55 117.84 1b4q h SER 83 Ca -0.05 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1b4q h SER 83 Cb 0.40 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1b4q h SER 83 CO 0.08 0.00 -0.21 0.44 -0.53 0.00 0.00 176.83 176.61 1b4q h ASP 84 N 0.00 0.20 0.34 6.23 3.32 -1.86 -2.89 116.42 121.77 1b4q h ASP 84 Ca 0.30 -0.75 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1b4q h ASP 84 Cb 1.55 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 41.01 1b4q h ASP 84 CO -0.00 0.93 -0.48 0.25 -1.72 0.00 0.00 179.24 178.21 1b4q h LEU 85 N -0.50 -1.37 -0.34 1.55 6.46 0.32 -2.73 115.31 118.71 1b4q h LEU 85 Ca -0.02 0.13 0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1b4q h LEU 85 Cb 0.95 0.47 -0.07 0.00 -0.73 0.00 0.00 40.66 41.28 1b4q h LEU 85 CO 0.04 -0.60 -0.13 -0.37 -0.62 0.00 0.00 178.44 176.77 1b4q h VAL 86 N -0.87 0.57 -0.95 1.05 -1.51 -1.52 -0.46 116.25 112.56 1b4q h VAL 86 Ca -0.03 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.71 1b4q h VAL 86 Cb 0.80 0.57 -0.14 0.00 -2.13 0.00 0.00 31.29 30.40 1b4q h VAL 86 CO -0.14 0.00 0.47 -1.28 -1.23 0.00 0.00 177.57 175.38 1b4q h SER 87 N -0.06 0.40 -0.00 4.19 0.87 -1.26 -0.47 113.55 117.21 1b4q h SER 87 Ca 0.17 0.17 -0.27 0.00 -1.23 0.00 0.00 61.79 60.64 1b4q h SER 87 Cb 0.32 0.15 0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1b4q h SER 87 CO -0.38 -0.07 -1.03 -0.07 -0.53 0.00 0.00 176.83 174.75 1b4q h LEU 88 N 0.36 0.91 0.90 2.23 3.38 -0.84 -3.14 115.31 119.12 1b4q h LEU 88 Ca 0.64 -0.74 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1b4q h LEU 88 Cb 1.34 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1b4q h LEU 88 CO -0.58 1.53 -0.47 -0.61 0.09 0.00 0.00 178.44 178.40 1b4q h GLN 89 N 0.39 -1.21 -0.05 1.13 5.75 0.02 0.61 115.11 121.76 1b4q h GLN 89 Ca -0.13 0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1b4q h GLN 89 Cb 1.69 0.27 -0.00 0.00 1.07 0.00 0.00 27.48 30.51 1b4q h GLN 89 CO 0.20 -0.81 0.11 -0.56 -2.65 0.00 0.00 178.83 175.13 1b4q h GLN 90 N -1.25 0.00 0.01 1.69 -0.00 -1.63 -2.62 115.11 111.31 1b4q h GLN 90 Ca -0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1b4q h GLN 90 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.46 1b4q h GLN 90 CO 0.18 0.00 -0.00 0.77 -0.00 0.00 0.00 178.83 179.77 1b4q h SER 91 N 0.00 -0.01 0.00 0.06 0.02 -1.27 -3.49 113.55 108.86 1b4q h SER 91 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1b4q h SER 91 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1b4q h SER 91 CO -0.00 0.48 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 1b4q n GLY 92 N 1.75 1.20 0.22 -3.77 0.00 0.21 -4.97 105.19 99.83 1b4q n GLY 92 Ca -0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1b4q n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b4q h GLU 93 N 0.00 0.00 0.50 1.61 4.57 -1.83 -3.16 114.58 116.27 1b4q h GLU 93 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1b4q h GLU 93 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1b4q h GLU 93 CO 0.00 0.26 -0.29 1.25 -1.18 0.00 0.00 179.01 179.05 1b4q h LEU 94 N 0.00 -0.72 -1.97 1.64 5.85 -1.88 -1.92 115.31 116.31 1b4q h LEU 94 Ca -0.00 0.04 0.16 0.00 0.84 0.00 0.00 57.88 58.91 1b4q h LEU 94 Cb 0.66 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1b4q h LEU 94 CO 0.03 -0.46 0.49 0.17 -0.34 0.00 0.00 178.44 178.34 1b4q h LEU 95 N -0.73 0.00 -0.14 2.25 8.10 -1.86 0.22 115.31 123.14 1b4q h LEU 95 Ca -0.07 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.91 1b4q h LEU 95 Cb 0.58 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 1b4q h LEU 95 CO 0.08 0.00 0.05 0.74 -4.11 0.00 0.00 178.44 175.20 1b4q h THR 96 N 0.00 1.16 -0.50 0.15 2.02 -1.34 0.43 112.91 114.83 1b4q h THR 96 Ca 0.26 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1b4q h THR 96 Cb 1.24 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.85 1b4q h THR 96 CO -0.00 0.15 0.34 0.03 0.37 0.00 0.00 175.52 176.40 1b4q h ARG 97 N 0.06 0.53 -0.33 6.66 2.47 0.10 0.46 114.38 124.34 1b4q h ARG 97 Ca 0.05 -0.03 -0.17 0.00 -1.26 0.00 0.00 59.98 58.56 1b4q h ARG 97 Cb 0.19 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1b4q h ARG 97 CO -0.00 0.35 -0.48 -0.07 0.56 0.00 0.00 179.97 180.33 1b4q h LEU 98 N 0.55 0.97 0.27 3.04 4.07 -0.92 -3.28 115.31 120.01 1b4q h LEU 98 Ca 0.21 -0.49 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 1b4q h LEU 98 Cb 0.14 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.60 1b4q h LEU 98 CO -0.05 1.28 -0.13 0.50 -1.08 0.00 0.00 178.44 178.96 1b4q h LYS 99 N 0.70 -0.35 -1.04 1.13 3.64 0.19 0.93 116.57 121.77 1b4q h LYS 99 Ca 0.03 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.72 1b4q h LYS 99 Cb 1.08 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.91 1b4q h LYS 99 CO 0.11 -0.05 0.71 -0.56 -2.27 0.00 0.00 179.45 177.39 1b4q h GLN 100 N -0.67 0.21 0.00 1.90 3.07 -1.16 0.22 115.11 118.68 1b4q h GLN 100 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1b4q h GLN 100 Cb 0.47 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.98 1b4q h GLN 100 CO 0.06 0.14 -1.26 0.44 0.09 0.00 0.00 178.83 178.30 1b4q n ILE 101 N -4.43 0.00 -2.28 1.86 -5.35 -1.17 -5.00 119.36 102.99 1b4q n ILE 101 Ca 0.23 -0.17 -0.02 0.00 -0.27 0.00 0.00 62.75 62.53 1b4q n ILE 101 Cb 0.97 0.69 0.01 0.00 -1.74 0.00 0.00 39.64 39.56 1b4q n ILE 101 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b4q n GLY 102 N 1.43 0.55 0.07 3.28 0.00 0.20 -4.64 105.19 106.07 1b4q n GLY 102 Ca 0.01 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.66 1b4q n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4q n ALA 103 N -1.76 2.85 -2.00 4.61 0.00 0.26 -4.88 120.51 119.59 1b4q n ALA 103 Ca -0.01 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 1b4q n ALA 103 Cb 0.51 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.80 1b4q n ALA 103 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1b4q s LEU 104 N -4.17 3.19 0.00 0.00 2.34 -1.26 -2.83 118.68 115.96 1b4q s LEU 104 Ca 0.07 -0.39 0.32 0.00 0.06 0.00 0.00 54.13 54.18 1b4q s LEU 104 Cb 0.14 -2.24 1.88 0.00 -0.56 0.00 0.00 46.19 45.41 1b4q s LEU 104 CO 0.70 -1.37 2.21 0.00 -1.06 0.00 0.00 176.35 176.82