#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 0.00 0.00 6.02 -1.26 -4.51 117.38 117.62 1b4q n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1b4q n GLN 2 Cb 0.00 -0.16 0.00 0.00 1.02 0.00 0.00 30.24 31.10 1b4q n GLN 2 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1b4q n GLU 3 N -1.92 0.00 0.00 -1.09 0.28 -1.26 -2.09 120.64 114.56 1b4q n GLU 3 Ca 0.00 0.40 0.00 0.00 -0.16 0.00 0.00 57.16 57.40 1b4q n GLU 3 Cb 0.00 -1.60 0.00 0.00 1.43 0.00 0.00 31.44 31.27 1b4q n GLU 3 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1b4q n PHE 4 N -1.40 0.00 0.05 -1.84 3.01 -1.26 -1.51 117.46 114.51 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 0.10 -0.40 -0.02 0.00 -0.01 0.00 0.00 39.48 39.15 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 1.37 -0.72 -4.37 -1.51 -1.75 -3.15 116.25 106.11 1b4q h VAL 5 Ca 0.00 -2.24 0.04 0.00 -1.23 0.00 0.00 66.70 63.28 1b4q h VAL 5 Cb 0.00 2.22 -0.04 0.00 -2.13 0.00 0.00 31.29 31.34 1b4q h VAL 5 CO 0.00 0.68 0.47 0.78 -1.23 0.00 0.00 177.57 178.27 1b4q h ASN 6 N 0.31 0.72 0.92 4.19 4.21 -1.54 0.31 115.58 124.70 1b4q h ASN 6 Ca -0.06 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.45 1b4q h ASN 6 Cb 1.45 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 1b4q h ASN 6 CO 0.15 0.48 0.00 -1.20 -1.29 0.00 0.00 177.43 175.57 1b4q n SER 7 N -4.46 0.52 -0.12 5.81 7.64 -0.57 -3.63 113.62 118.80 1b4q n SER 7 Ca 0.10 0.59 -0.27 0.00 1.01 0.00 0.00 58.87 60.30 1b4q n SER 7 Cb 0.16 -0.72 -0.11 0.00 -1.01 0.00 0.00 64.21 62.54 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 -2.03 0.60 -2.64 1.43 5.02 0.80 -4.88 118.16 116.46 1b4q n LYS 8 Ca 0.04 0.33 -0.42 0.00 -2.02 0.00 0.00 58.31 56.23 1b4q n LYS 8 Cb 0.29 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1b4q n LYS 8 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1b4q s ILE 9 N -2.48 4.67 -0.02 -0.18 -4.36 0.53 -4.92 121.20 114.45 1b4q s ILE 9 Ca -0.36 1.94 -0.11 0.00 -0.26 0.00 0.00 60.65 61.87 1b4q s ILE 9 Cb 0.12 -4.25 0.01 0.00 1.25 0.00 0.00 42.46 39.59 1b4q s ILE 9 CO 0.54 0.00 0.23 -1.58 0.24 0.00 0.00 174.94 174.38 1b4q s GLN 10 N 2.04 0.54 0.21 0.37 0.74 -1.26 -4.81 119.66 117.49 1b4q s GLN 10 Ca 0.50 -0.18 -0.31 0.00 0.05 0.00 0.00 55.36 55.41 1b4q s GLN 10 Cb -0.20 0.24 -0.15 0.00 1.10 0.00 0.00 33.01 34.00 1b4q s GLN 10 CO 0.19 -0.13 1.14 -2.30 -0.55 0.00 0.00 175.29 173.63 1b4q n PRO 11 N 1.62 1.26 -1.67 1.67 -0.02 -1.26 -1.63 135.00 134.97 1b4q n PRO 11 Ca -0.21 0.45 -0.07 0.00 -2.02 0.00 0.00 63.50 61.66 1b4q n PRO 11 Cb 0.56 -1.92 -0.02 0.00 -0.02 0.00 0.00 33.50 32.11 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 1.83 0.48 3.03 -1.23 0.00 -1.26 -4.97 105.19 103.06 1b4q n GLY 12 Ca 0.13 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.47 0.17 -0.11 1.61 2.20 -0.64 -4.73 119.74 114.77 1b4q s LYS 13 Ca 0.00 0.20 -0.03 0.00 -0.36 0.00 0.00 55.97 55.78 1b4q s LYS 13 Cb 0.00 0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.37 1b4q s LYS 13 CO 0.00 -0.02 0.02 0.08 -0.36 0.00 0.00 175.35 175.07 1b4q s VAL 14 N 0.07 4.46 -0.03 4.02 1.01 -0.68 -0.46 120.40 128.80 1b4q s VAL 14 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1b4q s VAL 14 Cb -0.01 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.46 1b4q s VAL 14 CO 0.00 0.57 0.11 0.54 0.00 0.00 0.00 175.10 176.32 1b4q s VAL 15 N -0.55 0.03 -0.12 2.92 0.11 -1.22 -2.92 120.40 118.65 1b4q s VAL 15 Ca 0.10 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 1b4q s VAL 15 Cb -0.12 -0.25 0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1b4q s VAL 15 CO 0.02 -0.14 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.81 1b4q s VAL 16 N -0.45 1.52 -0.26 2.04 1.01 -0.75 -2.21 120.40 121.30 1b4q s VAL 16 Ca -0.05 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1b4q s VAL 16 Cb -0.03 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1b4q s VAL 16 CO 0.00 0.45 0.55 -0.36 0.00 0.00 0.00 175.10 175.74 1b4q s PHE 17 N 1.14 3.27 0.13 5.22 0.40 -0.95 0.20 117.98 127.39 1b4q s PHE 17 Ca -0.03 0.69 0.01 0.00 -0.60 0.00 0.00 56.93 57.01 1b4q s PHE 17 Cb -0.14 -2.76 -0.01 0.00 0.51 0.00 0.00 43.02 40.62 1b4q s PHE 17 CO -0.04 -0.30 0.05 0.44 0.70 0.00 0.00 175.22 176.07 1b4q n ILE 18 N 5.17 0.00 -3.37 0.64 -5.35 0.27 -2.00 119.36 114.71 1b4q n ILE 18 Ca -0.03 -0.79 -0.18 0.00 -0.27 0.00 0.00 62.75 61.48 1b4q n ILE 18 Cb 0.49 0.29 -0.08 0.00 -1.74 0.00 0.00 39.64 38.60 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 -2.51 0.61 -0.19 6.28 1.02 -1.26 -2.54 119.74 121.15 1b4q s LYS 19 Ca 0.07 -0.87 -0.08 0.00 0.02 0.00 0.00 55.97 55.11 1b4q s LYS 19 Cb 0.00 -0.78 -0.09 0.00 -0.52 0.00 0.00 37.83 36.44 1b4q s LYS 19 CO 0.05 -1.19 1.12 -2.30 -0.92 0.00 0.00 175.35 172.11 1b4q n PRO 20 N 4.29 0.02 0.00 -1.68 -0.02 -1.26 -2.10 135.00 134.24 1b4q n PRO 20 Ca 0.10 -0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1b4q n PRO 20 Cb 0.44 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 1b4q n PRO 20 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1b4q n THR 21 N 5.31 0.00 -3.68 3.45 -1.04 -1.26 -5.12 114.28 111.94 1b4q n THR 21 Ca 0.13 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.78 1b4q n THR 21 Cb 0.41 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.85 1b4q n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b4q h PRO 23 N 6.42 0.00 -0.31 0.00 0.11 -1.99 -2.30 132.00 133.92 1b4q h PRO 23 Ca -0.43 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.53 1b4q h PRO 23 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b4q h PRO 23 CO 0.73 0.00 -0.37 1.88 -0.21 0.00 0.00 178.00 180.03 1b4q h TYR 24 N 0.00 0.98 -0.25 0.65 -1.99 -1.93 -2.43 116.97 111.99 1b4q h TYR 24 Ca 0.00 -0.31 -0.06 0.00 2.00 0.00 0.00 58.73 60.36 1b4q h TYR 24 Cb 0.00 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 1b4q h TYR 24 CO 0.00 1.10 -0.12 0.77 -0.00 0.00 0.00 178.16 179.91 1b4q h SER 25 N 0.57 0.40 -0.39 3.88 0.02 -1.63 -2.54 113.55 113.86 1b4q h SER 25 Ca 0.04 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1b4q h SER 25 Cb 0.96 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1b4q h SER 25 CO 0.09 0.56 0.19 0.03 -1.14 0.00 0.00 176.83 176.55 1b4q h ARG 26 N 0.39 0.57 -0.69 3.45 2.47 -1.45 -2.67 114.38 116.44 1b4q h ARG 26 Ca 0.08 -0.08 0.15 0.00 -1.26 0.00 0.00 59.98 58.86 1b4q h ARG 26 Cb 0.45 -0.10 -0.11 0.00 -1.65 0.00 0.00 29.97 28.56 1b4q h ARG 26 CO 0.03 0.50 0.10 0.00 0.56 0.00 0.00 179.97 181.16 1b4q h ARG 27 N 0.50 0.20 -0.89 0.04 3.08 -1.00 0.68 114.38 116.98 1b4q h ARG 27 Ca 0.13 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.20 1b4q h ARG 27 Cb 0.12 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1b4q h ARG 27 CO -0.02 0.13 0.59 0.00 -1.07 0.00 0.00 179.97 179.60 1b4q h ALA 28 N 1.59 1.41 -0.15 0.04 0.00 -1.45 0.34 119.26 121.05 1b4q h ALA 28 Ca 0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1b4q h ALA 28 Cb 0.64 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1b4q h ALA 28 CO -0.52 0.52 -0.10 1.96 0.00 0.00 0.00 179.25 181.11 1b4q h GLN 29 N 1.16 0.33 -0.45 0.00 4.20 0.29 -1.53 115.11 119.12 1b4q h GLN 29 Ca 0.34 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 1b4q h GLN 29 Cb -0.05 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1b4q h GLN 29 CO -0.09 0.68 -0.13 0.93 -0.67 0.00 0.00 178.83 179.55 1b4q h GLU 30 N -0.02 0.83 0.06 1.46 4.39 0.60 -2.16 114.58 119.74 1b4q h GLU 30 Ca 0.03 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.43 1b4q h GLU 30 Cb 0.60 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1b4q h GLU 30 CO 0.03 0.92 -0.03 0.97 -1.16 0.00 0.00 179.01 179.74 1b4q h ILE 31 N 0.74 0.88 -0.01 3.13 -0.00 -0.35 -3.21 117.51 118.70 1b4q h ILE 31 Ca 0.12 -1.49 0.00 0.00 -0.00 0.00 0.00 64.86 63.49 1b4q h ILE 31 Cb 0.64 1.61 -0.00 0.00 -0.00 0.00 0.00 36.82 39.07 1b4q h ILE 31 CO 0.04 0.28 0.09 -0.07 -0.00 0.00 0.00 178.15 178.50 1b4q h LEU 32 N -0.96 0.00 -1.44 2.19 3.38 -1.37 0.17 115.31 117.28 1b4q h LEU 32 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1b4q h LEU 32 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1b4q h LEU 32 CO 0.01 0.00 -0.28 0.28 0.09 0.00 0.00 178.44 178.55 1b4q h SER 33 N 0.00 0.00 -0.14 -0.43 0.02 -1.39 -1.81 113.55 109.80 1b4q h SER 33 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1b4q h SER 33 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1b4q h SER 33 CO -0.00 0.28 0.00 0.00 -1.14 0.00 0.00 176.83 175.97 1b4q n GLN 34 N -3.93 1.82 -3.27 3.45 1.13 0.59 -4.85 117.38 112.32 1b4q n GLN 34 Ca -0.02 -1.21 -0.39 0.00 -1.94 0.00 0.00 57.00 53.44 1b4q n GLN 34 Cb 0.35 -1.43 -0.06 0.00 0.11 0.00 0.00 30.24 29.21 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 -1.69 4.21 -0.40 1.08 1.43 -0.68 -4.94 118.68 117.69 1b4q s LEU 35 Ca 0.34 0.76 -0.15 0.00 -1.03 0.00 0.00 54.13 54.05 1b4q s LEU 35 Cb 0.19 -2.72 -0.15 0.00 0.03 0.00 0.00 46.19 43.54 1b4q s LEU 35 CO 0.29 -0.10 1.64 -0.81 0.23 0.00 0.00 176.35 177.60 1b4q n PRO 36 N 4.25 0.84 -2.71 1.29 -0.04 -1.26 -4.88 135.00 132.48 1b4q n PRO 36 Ca -0.06 -1.19 -0.36 0.00 -0.04 0.00 0.00 63.50 61.86 1b4q n PRO 36 Cb 0.51 -2.47 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 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 5.19 4.10 1.01 0.52 -1.09 -1.26 -2.51 121.20 127.15 1b4q s ILE 37 Ca 0.42 1.57 -0.14 0.00 -2.23 0.00 0.00 60.65 60.27 1b4q s ILE 37 Cb 0.10 -3.79 0.22 0.00 -1.58 0.00 0.00 42.46 37.41 1b4q s ILE 37 CO 0.12 -0.03 0.49 0.29 -1.23 0.00 0.00 174.94 174.58 1b4q n LYS 38 N 0.01 -2.19 0.00 2.79 5.02 -1.16 -4.80 118.16 117.83 1b4q n LYS 38 Ca 0.04 -0.83 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 1b4q n LYS 38 Cb 0.51 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 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 -2.46 0.00 -0.12 1.97 6.02 -1.26 -3.79 117.38 117.74 1b4q n GLN 39 Ca 0.08 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.05 1b4q n GLN 39 Cb 0.34 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.58 1b4q n GLN 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b4q n GLY 40 N 0.00 1.21 0.04 1.08 0.00 -1.26 -3.60 105.19 102.66 1b4q n GLY 40 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 2.88 0.00 -4.68 0.99 7.94 -1.25 -4.92 117.00 117.95 1b4q n LEU 41 Ca 0.05 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.60 1b4q n LEU 41 Cb 0.11 0.18 -0.09 0.00 0.53 0.00 0.00 43.42 44.15 1b4q n LEU 41 CO 0.22 0.18 -0.23 -0.22 -1.11 0.00 0.00 177.39 176.23 1b4q s LEU 42 N -4.60 3.96 0.09 -1.96 2.96 -1.24 -1.69 118.68 116.20 1b4q s LEU 42 Ca -0.07 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1b4q s LEU 42 Cb 0.08 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1b4q s LEU 42 CO 0.65 0.21 0.08 -0.70 -1.32 0.00 0.00 176.35 175.27 1b4q s GLU 43 N 0.17 0.81 -0.18 1.98 2.56 -1.15 -5.03 118.70 117.86 1b4q s GLU 43 Ca 0.06 -1.20 0.01 0.00 0.00 0.00 0.00 54.97 53.83 1b4q s GLU 43 Cb -0.12 0.27 0.04 0.00 2.00 0.00 0.00 34.13 36.32 1b4q s GLU 43 CO -0.00 -0.22 -0.11 -0.06 -0.56 0.00 0.00 175.26 174.31 1b4q s PHE 44 N -3.94 2.24 -0.47 5.30 0.08 -1.26 -1.81 117.98 118.11 1b4q s PHE 44 Ca 0.12 -1.40 -0.16 0.00 0.12 0.00 0.00 56.93 55.61 1b4q s PHE 44 Cb 0.07 -1.58 0.07 0.00 -0.57 0.00 0.00 43.02 41.01 1b4q s PHE 44 CO -0.06 -0.70 0.41 0.08 -0.10 0.00 0.00 175.22 174.84 1b4q s VAL 45 N 1.46 5.22 -0.72 -0.44 1.01 0.52 -4.92 120.40 122.52 1b4q s VAL 45 Ca 0.01 -1.03 -0.27 0.00 0.00 0.00 0.00 61.98 60.70 1b4q s VAL 45 Cb -0.15 -4.13 0.03 0.00 0.00 0.00 0.00 36.38 32.13 1b4q s VAL 45 CO -0.09 -0.58 1.24 -1.81 0.00 0.00 0.00 175.10 173.86 1b4q s ASP 46 N 2.59 6.18 0.00 3.32 1.01 -1.26 -0.57 116.67 127.94 1b4q s ASP 46 Ca 0.05 -0.46 0.03 0.00 0.71 0.00 0.00 52.55 52.88 1b4q s ASP 46 Cb -0.24 -2.55 0.17 0.00 1.01 0.00 0.00 42.92 41.31 1b4q s ASP 46 CO 0.07 -1.78 0.79 2.30 0.21 0.00 0.00 175.17 176.76 1b4q n ILE 47 N 6.36 0.52 0.03 0.77 -5.35 -1.05 -1.30 119.36 119.33 1b4q n ILE 47 Ca 0.03 0.13 0.07 0.00 -0.27 0.00 0.00 62.75 62.71 1b4q n ILE 47 Cb 0.49 -1.08 -0.09 0.00 -1.74 0.00 0.00 39.64 37.21 1b4q n ILE 47 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 1b4q n THR 48 N -1.14 0.58 1.34 7.28 5.66 -1.26 -3.84 114.28 122.90 1b4q n THR 48 Ca 0.02 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 1b4q n THR 48 Cb 0.02 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 1b4q n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4q n ALA 49 N -2.31 2.41 -1.15 1.79 0.00 -0.42 -3.05 120.51 117.78 1b4q n ALA 49 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1b4q n ALA 49 Cb 0.67 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.12 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 -0.20 0.00 -2.64 0.00 5.66 -1.25 -5.09 114.28 110.76 1b4q n THR 50 Ca 0.00 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.08 1b4q n THR 50 Cb 0.13 1.35 -0.02 0.00 -1.55 0.00 0.00 70.33 70.24 1b4q n THR 50 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1b4q n ASN 51 N 0.00 -5.28 -1.44 1.09 4.13 -1.17 -4.83 115.26 107.77 1b4q n ASN 51 Ca 0.00 0.62 -0.18 0.00 1.68 0.00 0.00 54.58 56.70 1b4q n ASN 51 Cb 0.35 -1.74 -0.08 0.00 -1.54 0.00 0.00 39.78 36.77 1b4q n ASN 51 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1b4q n HIS 52 N -2.47 -0.02 -0.15 3.10 8.25 -1.26 -4.81 115.22 117.85 1b4q n HIS 52 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.43 1b4q n HIS 52 Cb 0.26 -3.30 -0.04 0.00 1.12 0.00 0.00 29.99 28.04 1b4q n HIS 52 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b4q n THR 53 N -2.32 -0.24 -0.24 1.59 -2.24 -1.26 0.10 114.28 109.68 1b4q n THR 53 Ca -0.18 1.41 0.11 0.00 -2.27 0.00 0.00 64.05 63.12 1b4q n THR 53 Cb 0.66 -1.79 0.39 0.00 -2.10 0.00 0.00 70.33 67.48 1b4q n THR 53 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1b4q h ASN 54 N 0.00 0.62 -0.46 3.42 4.21 -1.92 -1.78 115.58 119.67 1b4q h ASN 54 Ca 0.06 0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.60 1b4q h ASN 54 Cb 0.14 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 1b4q h ASN 54 CO -0.33 0.33 0.30 -0.33 -1.29 0.00 0.00 177.43 176.12 1b4q h GLU 55 N 0.67 0.60 0.14 0.81 4.39 0.34 0.95 114.58 122.48 1b4q h GLU 55 Ca 0.41 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.07 1b4q h GLU 55 Cb 0.65 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1b4q h GLU 55 CO -0.17 0.40 -0.07 0.82 -1.16 0.00 0.00 179.01 178.83 1b4q h ILE 56 N 0.62 1.00 -0.74 3.13 5.03 -0.67 0.25 117.51 126.12 1b4q h ILE 56 Ca 0.17 -0.63 0.05 0.00 -0.12 0.00 0.00 64.86 64.33 1b4q h ILE 56 Cb -0.07 1.39 -0.05 0.00 -3.03 0.00 0.00 36.82 35.06 1b4q h ILE 56 CO -0.04 0.15 0.45 1.56 -0.68 0.00 0.00 178.15 179.59 1b4q h GLN 57 N -0.49 0.84 -0.55 2.37 4.20 -1.18 1.33 115.11 121.63 1b4q h GLN 57 Ca -0.02 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.74 1b4q h GLN 57 Cb 0.39 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1b4q h GLN 57 CO 0.03 0.55 0.37 -0.44 -0.67 0.00 0.00 178.83 178.68 1b4q h ASP 58 N 0.86 0.29 0.00 1.46 5.19 0.12 0.54 116.42 124.88 1b4q h ASP 58 Ca 0.31 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1b4q h ASP 58 Cb 0.10 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1b4q h ASP 58 CO -0.14 0.17 -0.00 0.22 -3.12 0.00 0.00 179.24 176.37 1b4q h TYR 59 N 0.32 -0.01 -0.43 4.55 5.03 0.24 -3.13 116.97 123.55 1b4q h TYR 59 Ca 0.25 -0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.69 1b4q h TYR 59 Cb 0.58 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 1b4q h TYR 59 CO -0.00 0.86 0.36 -0.07 -1.32 0.00 0.00 178.16 177.99 1b4q h LEU 60 N -0.96 0.00 0.56 2.82 3.38 0.22 0.98 115.31 122.31 1b4q h LEU 60 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1b4q h LEU 60 Cb 0.87 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.63 1b4q h LEU 60 CO 0.00 0.00 -0.27 -0.61 0.09 0.00 0.00 178.44 177.65 1b4q h GLN 61 N 0.00 -0.72 -0.31 1.13 5.75 0.06 -0.68 115.11 120.33 1b4q h GLN 61 Ca 0.20 0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.60 1b4q h GLN 61 Cb 0.92 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 1b4q h GLN 61 CO -0.00 -0.42 -0.40 0.37 -2.65 0.00 0.00 178.83 175.72 1b4q h GLN 62 N -0.90 0.76 -0.67 1.69 4.15 -1.20 0.39 115.11 119.34 1b4q h GLN 62 Ca -0.08 -0.40 -0.07 0.00 0.77 0.00 0.00 58.65 58.87 1b4q h GLN 62 Cb 0.63 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.30 1b4q h GLN 62 CO 0.13 1.03 0.14 1.25 -1.93 0.00 0.00 178.83 179.44 1b4q h LEU 63 N 0.62 1.03 0.00 -2.39 5.85 -0.86 -3.41 115.31 116.16 1b4q h LEU 63 Ca 0.05 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1b4q h LEU 63 Cb 0.96 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1b4q h LEU 63 CO 0.09 1.01 0.00 0.35 -0.34 0.00 0.00 178.44 179.55 1b4q n THR 64 N -4.26 0.00 0.00 1.05 -2.24 -0.27 -5.04 114.28 103.52 1b4q n THR 64 Ca 0.04 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1b4q n THR 64 Cb 0.27 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.37 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 2.86 2.02 3.68 3.38 0.00 0.14 -5.01 105.19 112.26 1b4q n GLY 65 Ca 0.00 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 3.52 -0.37 4.61 0.00 -1.26 -4.81 121.76 123.45 1b4q s ALA 66 Ca 0.00 -0.72 0.07 0.00 0.00 0.00 0.00 51.96 51.31 1b4q s ALA 66 Cb 0.00 -2.02 0.64 0.00 0.00 0.00 0.00 23.12 21.75 1b4q s ALA 66 CO 0.00 0.18 1.70 2.89 0.00 0.00 0.00 175.76 180.53 1b4q n ARG 67 N 3.50 3.16 -1.89 0.00 -4.01 -1.26 -4.42 116.66 111.74 1b4q n ARG 67 Ca -0.16 -2.67 -0.29 0.00 -1.04 0.00 0.00 57.85 53.68 1b4q n ARG 67 Cb 0.52 -2.09 0.07 0.00 -3.04 0.00 0.00 32.46 27.92 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 -2.70 2.59 -0.07 8.89 2.01 -1.26 -5.01 115.64 120.09 1b4q s THR 68 Ca 0.48 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.71 1b4q s THR 68 Cb 0.39 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 1b4q s THR 68 CO 0.12 -0.25 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.93 1b4q s VAL 69 N -3.49 2.79 0.00 3.82 1.01 -1.26 -4.24 120.40 119.03 1b4q s VAL 69 Ca 0.60 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1b4q s VAL 69 Cb -0.11 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1b4q s VAL 69 CO 0.50 0.57 0.00 -0.81 0.00 0.00 0.00 175.10 175.36 1b4q n PRO 70 N 2.70 0.42 -3.38 2.72 -0.04 -1.26 -4.43 135.00 131.74 1b4q n PRO 70 Ca -0.17 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.10 1b4q n PRO 70 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.90 1b4q n PRO 70 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1b4q s ARG 71 N -1.50 0.61 0.38 0.54 1.81 -0.85 -4.39 118.95 115.56 1b4q s ARG 71 Ca 0.00 -0.91 -0.15 0.00 -1.72 0.00 0.00 55.73 52.95 1b4q s ARG 71 Cb 0.00 -0.82 -0.09 0.00 -0.45 0.00 0.00 34.95 33.59 1b4q s ARG 71 CO 0.00 -1.19 0.81 0.08 -0.68 0.00 0.00 175.30 174.32 1b4q s VAL 72 N 1.41 4.64 -0.34 3.52 1.01 -0.96 -2.23 120.40 127.44 1b4q s VAL 72 Ca 0.17 0.99 -0.00 0.00 0.00 0.00 0.00 61.98 63.14 1b4q s VAL 72 Cb -0.17 -3.65 0.14 0.00 0.00 0.00 0.00 36.38 32.70 1b4q s VAL 72 CO -0.04 -0.35 0.23 -0.36 0.00 0.00 0.00 175.10 174.58 1b4q s PHE 73 N -2.19 0.39 -0.43 5.22 0.08 -0.94 -3.42 117.98 116.69 1b4q s PHE 73 Ca 0.55 -1.27 -0.28 0.00 0.12 0.00 0.00 56.93 56.05 1b4q s PHE 73 Cb -0.10 -0.79 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 1b4q s PHE 73 CO 0.22 -0.86 1.63 0.42 -0.10 0.00 0.00 175.22 176.53 1b4q s ILE 74 N 1.38 3.63 0.00 0.64 -1.09 -0.90 -3.44 121.20 121.42 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 -0.20 -3.98 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1b4q s ILE 74 CO -0.08 -0.71 0.00 0.61 -1.23 0.00 0.00 174.94 173.53 1b4q n GLY 75 N 5.34 1.00 0.16 6.18 0.00 0.40 -2.11 105.19 116.16 1b4q n GLY 75 Ca 0.19 -0.70 0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 3.24 0.73 -3.05 1.61 5.02 -1.26 -4.39 118.16 120.05 1b4q n LYS 76 Ca 0.00 -0.31 -0.41 0.00 -2.02 0.00 0.00 58.31 55.56 1b4q n LYS 76 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.46 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 -2.49 6.55 0.53 4.39 1.01 -0.90 -5.05 116.67 120.72 1b4q s ASP 77 Ca 0.27 0.50 -0.19 0.00 0.71 0.00 0.00 52.55 53.85 1b4q s ASP 77 Cb 0.20 -2.36 -0.07 0.00 1.01 0.00 0.00 42.92 41.70 1b4q s ASP 77 CO 0.49 -0.53 1.05 -0.55 0.21 0.00 0.00 175.17 175.84 1b4q s SER 78 N 1.64 6.10 -0.00 0.27 0.15 -1.26 -2.13 113.70 118.47 1b4q s SER 78 Ca 0.28 1.91 0.02 0.00 0.70 0.00 0.00 55.95 58.85 1b4q s SER 78 Cb -0.15 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1b4q s SER 78 CO 0.12 -0.95 0.04 2.30 1.20 0.00 0.00 173.24 175.95 1b4q n ILE 79 N -1.37 0.00 0.00 6.45 -5.35 -1.22 -4.89 119.36 112.98 1b4q n ILE 79 Ca 0.09 -0.06 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 1b4q n ILE 79 Cb 0.52 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 1b4q n ILE 79 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1b4q n GLY 80 N 2.33 0.55 0.00 3.28 0.00 -1.26 -4.72 105.19 105.37 1b4q n GLY 80 Ca -0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 2.57 0.22 -0.02 0.00 -1.26 -2.27 105.19 104.44 1b4q n GLY 81 Ca 0.00 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.43 -0.49 1.61 0.87 -1.80 -2.07 113.55 111.24 1b4q h SER 82 Ca 0.00 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.72 1b4q h SER 82 Cb 0.00 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1b4q h SER 82 CO 0.00 -0.04 0.43 -1.28 -0.53 0.00 0.00 176.83 175.41 1b4q h SER 83 N -1.03 0.00 -0.08 6.23 0.87 -1.94 0.40 113.55 118.00 1b4q h SER 83 Ca -0.05 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.41 1b4q h SER 83 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1b4q h SER 83 CO 0.08 0.00 -0.32 0.44 -0.53 0.00 0.00 176.83 176.50 1b4q h ASP 84 N 0.00 0.42 0.37 6.23 5.19 -1.89 -2.93 116.42 123.81 1b4q h ASP 84 Ca 0.23 -0.64 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1b4q h ASP 84 Cb 1.09 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.47 1b4q h ASP 84 CO -0.00 0.99 -0.28 0.25 -3.12 0.00 0.00 179.24 177.08 1b4q h LEU 85 N -0.12 -0.73 -0.79 1.55 6.46 -0.19 -2.71 115.31 118.77 1b4q h LEU 85 Ca -0.02 0.05 0.18 0.00 -0.12 0.00 0.00 57.88 57.98 1b4q h LEU 85 Cb 0.97 0.23 -0.14 0.00 -0.73 0.00 0.00 40.66 40.99 1b4q h LEU 85 CO 0.07 -0.40 0.01 -0.37 -0.62 0.00 0.00 178.44 177.13 1b4q h VAL 86 N -0.62 0.29 -0.60 1.05 -1.51 -1.56 0.32 116.25 113.61 1b4q h VAL 86 Ca -0.05 -0.03 0.12 0.00 -1.23 0.00 0.00 66.70 65.51 1b4q h VAL 86 Cb 0.52 0.19 -0.10 0.00 -2.13 0.00 0.00 31.29 29.76 1b4q h VAL 86 CO 0.01 0.02 -0.02 0.28 -1.23 0.00 0.00 177.57 176.63 1b4q h SER 87 N 0.09 -0.30 0.55 4.19 0.02 -1.31 -0.71 113.55 116.09 1b4q h SER 87 Ca 0.44 0.15 -0.17 0.00 -0.84 0.00 0.00 61.79 61.38 1b4q h SER 87 Cb 0.79 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 1b4q h SER 87 CO -0.70 -0.12 -0.74 -0.07 -1.14 0.00 0.00 176.83 174.06 1b4q h LEU 88 N 0.10 0.18 0.92 5.07 3.38 -0.20 -2.81 115.31 121.96 1b4q h LEU 88 Ca 0.31 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1b4q h LEU 88 Cb 0.50 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1b4q h LEU 88 CO -0.53 0.85 -0.44 -0.61 0.09 0.00 0.00 178.44 177.80 1b4q h GLN 89 N 0.10 -1.20 0.00 1.13 -0.00 0.64 0.11 115.11 115.88 1b4q h GLN 89 Ca -0.02 0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1b4q h GLN 89 Cb 1.30 0.27 -0.00 0.00 0.00 0.00 0.00 27.48 29.05 1b4q h GLN 89 CO 0.11 -0.80 -0.04 -0.56 0.00 0.00 0.00 178.83 177.54 1b4q h GLN 90 N -1.31 0.00 0.00 1.69 3.07 -1.50 -1.82 115.11 115.24 1b4q h GLN 90 Ca -0.13 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.50 1b4q h GLN 90 Cb 0.95 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.50 1b4q h GLN 90 CO 0.21 0.04 -0.52 0.77 0.09 0.00 0.00 178.83 179.42 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -1.20 -3.47 113.55 108.96 1b4q h SER 91 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b4q h SER 91 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1b4q h SER 91 CO 0.01 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.82 1b4q n GLY 92 N 1.18 1.19 0.19 -3.77 0.00 -0.02 -4.89 105.19 99.09 1b4q n GLY 92 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 3.30 0.13 0.60 1.61 4.57 -1.77 -2.82 114.58 120.20 1b4q h GLU 93 Ca 0.00 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 1b4q h GLU 93 Cb 0.00 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1b4q h GLU 93 CO 0.00 0.49 -0.33 1.25 -1.18 0.00 0.00 179.01 179.24 1b4q h LEU 94 N 0.11 -0.81 -1.98 1.64 5.85 -1.75 0.18 115.31 118.55 1b4q h LEU 94 Ca 0.01 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.92 1b4q h LEU 94 Cb 0.71 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1b4q h LEU 94 CO 0.05 -0.53 0.37 0.17 -0.34 0.00 0.00 178.44 178.16 1b4q h LEU 95 N -0.86 0.02 -0.57 2.25 8.10 -1.82 0.49 115.31 122.92 1b4q h LEU 95 Ca -0.08 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.84 1b4q h LEU 95 Cb 0.67 -0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.87 1b4q h LEU 95 CO 0.11 0.01 0.08 0.74 -4.11 0.00 0.00 178.44 175.27 1b4q h THR 96 N 0.02 1.26 -0.35 0.15 2.02 -1.16 0.17 112.91 115.02 1b4q h THR 96 Ca 0.25 -1.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1b4q h THR 96 Cb 0.95 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1b4q h THR 96 CO -0.01 0.36 -0.03 -0.09 0.37 0.00 0.00 175.52 176.12 1b4q h ARG 97 N 0.84 0.56 -0.08 6.66 9.65 0.20 -1.64 114.38 130.57 1b4q h ARG 97 Ca 0.17 -0.13 -0.14 0.00 -1.10 0.00 0.00 59.98 58.77 1b4q h ARG 97 Cb 0.43 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1b4q h ARG 97 CO 0.01 0.61 -0.59 -0.07 2.80 0.00 0.00 179.97 182.73 1b4q h LEU 98 N 0.53 0.29 0.37 3.80 4.07 -0.52 -3.32 115.31 120.53 1b4q h LEU 98 Ca 0.11 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.89 1b4q h LEU 98 Cb 0.39 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1b4q h LEU 98 CO 0.02 0.81 -0.18 0.50 -1.08 0.00 0.00 178.44 178.51 1b4q h LYS 99 N 0.19 -0.48 -1.50 1.13 3.64 0.20 1.43 116.57 121.18 1b4q h LYS 99 Ca -0.00 0.03 0.44 0.00 -1.27 0.00 0.00 60.65 59.84 1b4q h LYS 99 Cb 1.09 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 1b4q h LYS 99 CO 0.09 -0.18 1.08 -0.56 -2.27 0.00 0.00 179.45 177.61 1b4q h GLN 100 N -1.00 0.01 0.00 1.90 3.07 -1.45 0.90 115.11 118.53 1b4q h GLN 100 Ca -0.05 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1b4q h GLN 100 Cb 0.52 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.08 1b4q h GLN 100 CO 0.08 0.00 -1.34 0.44 0.09 0.00 0.00 178.83 178.10 1b4q n ILE 101 N -4.10 0.00 -2.36 1.86 -5.35 -1.21 -5.00 119.36 103.20 1b4q n ILE 101 Ca 0.33 -0.27 -0.01 0.00 -0.27 0.00 0.00 62.75 62.53 1b4q n ILE 101 Cb 1.55 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 39.95 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 1.48 0.73 0.05 3.28 0.00 0.31 -4.64 105.19 106.40 1b4q n GLY 102 Ca -0.00 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.06 2.80 -2.64 4.61 0.00 0.44 -4.86 120.51 118.78 1b4q n ALA 103 Ca -0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1b4q n ALA 103 Cb 0.50 -1.27 0.06 0.00 0.00 0.00 0.00 19.45 18.73 1b4q n ALA 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1b4q n LEU 104 N -1.96 0.00 0.00 0.00 -0.00 -1.25 -3.01 117.00 110.78 1b4q n LEU 104 Ca 0.05 -1.23 0.15 0.00 -0.00 0.00 0.00 56.01 54.98 1b4q n LEU 104 Cb 0.41 -0.31 0.89 0.00 -0.00 0.00 0.00 43.42 44.40 1b4q n LEU 104 CO 0.33 -0.72 1.06 0.00 -0.00 0.00 0.00 177.39 178.07