#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 10.64 -1.26 -4.80 117.38 121.96 1b4q n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1b4q n GLN 2 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1b4q n GLN 2 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1b4q n GLU 3 N -1.41 0.00 0.06 2.61 1.02 -1.26 -2.87 120.64 118.79 1b4q n GLU 3 Ca 0.00 0.35 -0.02 0.00 -0.02 0.00 0.00 57.16 57.47 1b4q n GLU 3 Cb 0.00 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 29.88 1b4q n GLU 3 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1b4q h PHE 4 N 0.00 -0.15 -0.15 -0.32 -1.00 -1.98 -1.76 116.94 111.57 1b4q h PHE 4 Ca 0.00 -0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.55 1b4q h PHE 4 Cb 0.06 0.05 0.01 0.00 3.61 0.00 0.00 35.95 39.68 1b4q h PHE 4 CO 0.00 -0.09 -0.78 -0.39 -1.61 0.00 0.00 178.31 175.44 1b4q h VAL 5 N -0.17 1.27 -0.87 -0.55 -1.51 -1.90 -3.07 116.25 109.45 1b4q h VAL 5 Ca -0.02 -1.97 0.12 0.00 -1.23 0.00 0.00 66.70 63.60 1b4q h VAL 5 Cb 0.12 1.98 -0.07 0.00 -2.13 0.00 0.00 31.29 31.20 1b4q h VAL 5 CO 0.03 0.63 0.56 0.78 -1.23 0.00 0.00 177.57 178.34 1b4q h ASN 6 N 0.54 0.72 0.93 4.19 4.21 -1.65 0.69 115.58 125.21 1b4q h ASN 6 Ca -0.05 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.49 1b4q h ASN 6 Cb 1.41 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 1b4q h ASN 6 CO 0.16 0.40 0.00 -1.20 -1.29 0.00 0.00 177.43 175.50 1b4q n SER 7 N -4.54 0.42 -0.12 5.81 7.64 -0.66 -3.67 113.62 118.50 1b4q n SER 7 Ca 0.16 0.57 -0.25 0.00 1.01 0.00 0.00 58.87 60.36 1b4q n SER 7 Cb 0.38 -0.67 -0.11 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.93 0.61 -2.68 1.43 5.02 0.21 -4.91 118.16 115.91 1b4q n LYS 8 Ca 0.04 0.31 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 1b4q n LYS 8 Cb 0.29 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 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 4.24 0.03 -0.18 -4.36 0.45 -4.92 121.20 113.98 1b4q s ILE 9 Ca -0.35 1.96 -0.10 0.00 -0.26 0.00 0.00 60.65 61.91 1b4q s ILE 9 Cb 0.11 -4.25 0.01 0.00 1.25 0.00 0.00 42.46 39.58 1b4q s ILE 9 CO 0.56 0.35 0.20 -1.10 0.24 0.00 0.00 174.94 175.19 1b4q s GLN 10 N -0.37 0.68 0.18 0.37 -1.52 -1.26 -4.84 119.66 112.90 1b4q s GLN 10 Ca 0.46 -0.58 -0.33 0.00 -1.95 0.00 0.00 55.36 52.96 1b4q s GLN 10 Cb -0.25 0.28 -0.13 0.00 -0.22 0.00 0.00 33.01 32.69 1b4q s GLN 10 CO 0.32 -0.20 1.58 -2.30 -0.25 0.00 0.00 175.29 174.44 1b4q n PRO 11 N 0.77 2.24 -2.15 2.91 -0.02 -1.26 -1.35 135.00 136.14 1b4q n PRO 11 Ca -0.19 0.81 -0.08 0.00 -2.02 0.00 0.00 63.50 62.02 1b4q n PRO 11 Cb 0.58 -2.57 -0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 3.27 0.05 2.82 -1.23 0.00 -1.26 -4.96 105.19 103.88 1b4q n GLY 12 Ca 0.16 -0.56 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.39 0.13 -0.21 1.61 2.20 -0.46 -4.68 119.74 113.95 1b4q s LYS 13 Ca 0.00 0.08 -0.08 0.00 -0.36 0.00 0.00 55.97 55.61 1b4q s LYS 13 Cb -0.00 -0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 35.98 1b4q s LYS 13 CO 0.00 -0.10 0.09 0.08 -0.36 0.00 0.00 175.35 175.06 1b4q s VAL 14 N 0.74 4.94 -0.00 4.02 1.01 -0.84 -1.42 120.40 128.85 1b4q s VAL 14 Ca -0.07 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1b4q s VAL 14 Cb -0.10 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1b4q s VAL 14 CO -0.02 0.41 -0.06 0.54 0.00 0.00 0.00 175.10 175.97 1b4q s VAL 15 N 0.69 0.49 -0.13 2.92 0.11 -1.23 -2.71 120.40 120.54 1b4q s VAL 15 Ca 0.05 -0.32 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 1b4q s VAL 15 Cb -0.13 -0.43 0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1b4q s VAL 15 CO 0.02 0.10 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.01 1b4q s VAL 16 N -0.23 1.82 -0.33 2.04 1.01 -1.09 -1.99 120.40 121.62 1b4q s VAL 16 Ca 0.02 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1b4q s VAL 16 Cb -0.03 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1b4q s VAL 16 CO -0.00 0.50 0.55 -0.36 0.00 0.00 0.00 175.10 175.79 1b4q s PHE 17 N 0.98 3.20 0.41 5.22 0.40 -0.68 0.17 117.98 127.69 1b4q s PHE 17 Ca -0.05 0.36 0.03 0.00 -0.60 0.00 0.00 56.93 56.67 1b4q s PHE 17 Cb -0.15 -2.92 -0.01 0.00 0.51 0.00 0.00 43.02 40.45 1b4q s PHE 17 CO -0.04 -0.49 0.10 0.44 0.70 0.00 0.00 175.22 175.93 1b4q n ILE 18 N 5.39 0.00 -3.46 0.64 -5.35 -0.31 -1.83 119.36 114.44 1b4q n ILE 18 Ca -0.04 -2.24 -0.28 0.00 -0.27 0.00 0.00 62.75 59.92 1b4q n ILE 18 Cb 0.49 0.71 -0.12 0.00 -1.74 0.00 0.00 39.64 38.98 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 -3.54 0.52 -0.43 6.28 1.02 -1.26 -2.64 119.74 119.68 1b4q s LYS 19 Ca 0.14 -1.20 -0.10 0.00 0.02 0.00 0.00 55.97 54.83 1b4q s LYS 19 Cb 0.01 -1.23 -0.10 0.00 -0.52 0.00 0.00 37.83 35.99 1b4q s LYS 19 CO 0.10 -1.19 1.47 -2.30 -0.92 0.00 0.00 175.35 172.51 1b4q n PRO 20 N 4.18 0.05 0.00 -1.68 -0.02 -1.26 -2.16 135.00 134.11 1b4q n PRO 20 Ca 0.10 -0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 1b4q n PRO 20 Cb 0.38 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 6.20 0.00 -3.57 3.45 -1.04 -1.26 -5.11 114.28 112.95 1b4q n THR 21 Ca 0.18 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.82 1b4q n THR 21 Cb 0.47 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.89 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 7.61 0.00 -0.17 0.00 0.11 -1.98 -2.25 132.00 135.31 1b4q h PRO 23 Ca -0.37 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.59 1b4q h PRO 23 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1b4q h PRO 23 CO 0.66 0.00 -0.51 1.88 -0.21 0.00 0.00 178.00 179.82 1b4q h TYR 24 N 0.00 0.84 -0.12 0.65 -1.99 -1.93 -2.66 116.97 111.77 1b4q h TYR 24 Ca 0.00 -0.33 -0.05 0.00 2.00 0.00 0.00 58.73 60.34 1b4q h TYR 24 Cb 0.30 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1b4q h TYR 24 CO 0.00 1.12 -0.18 0.77 -0.00 0.00 0.00 178.16 179.87 1b4q h SER 25 N 0.32 0.19 -0.88 3.88 0.02 -1.59 -1.69 113.55 113.80 1b4q h SER 25 Ca -0.01 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1b4q h SER 25 Cb 1.13 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 1b4q h SER 25 CO 0.11 0.38 0.49 0.03 -1.14 0.00 0.00 176.83 176.70 1b4q h ARG 26 N 0.18 1.22 -0.41 3.45 2.47 -1.52 -2.10 114.38 117.67 1b4q h ARG 26 Ca 0.04 -0.14 0.07 0.00 -1.26 0.00 0.00 59.98 58.69 1b4q h ARG 26 Cb 0.42 -0.24 -0.06 0.00 -1.65 0.00 0.00 29.97 28.44 1b4q h ARG 26 CO 0.03 0.89 0.05 0.00 0.56 0.00 0.00 179.97 181.50 1b4q h ARG 27 N 1.23 0.16 -0.68 0.04 3.08 -0.96 0.57 114.38 117.83 1b4q h ARG 27 Ca 0.31 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.38 1b4q h ARG 27 Cb 0.02 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 1b4q h ARG 27 CO -0.05 0.11 0.45 0.00 -1.07 0.00 0.00 179.97 179.41 1b4q h ALA 28 N 1.33 1.62 -0.12 0.04 0.00 -1.32 0.61 119.26 121.42 1b4q h ALA 28 Ca 0.20 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1b4q h ALA 28 Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1b4q h ALA 28 CO -0.29 0.31 -0.24 1.96 0.00 0.00 0.00 179.25 180.99 1b4q h GLN 29 N 0.81 0.38 -0.10 0.00 4.20 -0.24 -1.73 115.11 118.43 1b4q h GLN 29 Ca 0.27 -0.24 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 1b4q h GLN 29 Cb 0.07 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1b4q h GLN 29 CO -0.08 0.84 -0.51 0.93 -0.67 0.00 0.00 178.83 179.34 1b4q h GLU 30 N -0.04 0.26 0.02 1.46 5.08 0.67 -2.50 114.58 119.54 1b4q h GLU 30 Ca 0.00 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1b4q h GLU 30 Cb 0.83 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1b4q h GLU 30 CO 0.05 0.71 -0.01 0.97 -1.00 0.00 0.00 179.01 179.74 1b4q h ILE 31 N 0.21 0.53 -0.01 3.13 -0.00 0.19 -3.29 117.51 118.27 1b4q h ILE 31 Ca 0.01 -1.36 0.00 0.00 -0.00 0.00 0.00 64.86 63.51 1b4q h ILE 31 Cb 0.97 0.99 -0.00 0.00 -0.00 0.00 0.00 36.82 38.78 1b4q h ILE 31 CO 0.08 0.18 0.02 -0.07 -0.00 0.00 0.00 178.15 178.36 1b4q h LEU 32 N -1.00 0.00 -2.07 2.19 3.38 -1.43 0.16 115.31 116.54 1b4q h LEU 32 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1b4q h LEU 32 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1b4q h LEU 32 CO 0.00 0.00 -0.07 0.77 0.09 0.00 0.00 178.44 179.23 1b4q h SER 33 N 0.00 0.00 0.03 -0.43 4.64 -1.51 -0.51 113.55 115.77 1b4q h SER 33 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b4q h SER 33 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1b4q h SER 33 CO -0.00 0.07 -0.08 0.00 -0.87 0.00 0.00 176.83 175.95 1b4q n GLN 34 N -3.48 1.63 -3.14 4.77 1.13 0.55 -4.86 117.38 113.98 1b4q n GLN 34 Ca -0.02 -1.10 -0.39 0.00 -1.94 0.00 0.00 57.00 53.55 1b4q n GLN 34 Cb 0.21 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.03 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 -2.13 4.27 -0.60 1.08 1.43 -0.20 -4.93 118.68 117.60 1b4q s LEU 35 Ca 0.32 1.01 -0.20 0.00 -1.03 0.00 0.00 54.13 54.23 1b4q s LEU 35 Cb 0.20 -2.93 -0.17 0.00 0.03 0.00 0.00 46.19 43.32 1b4q s LEU 35 CO 0.38 -0.11 1.84 -0.81 0.23 0.00 0.00 176.35 177.87 1b4q n PRO 36 N 4.00 1.22 -2.82 1.29 -0.04 -1.26 -4.90 135.00 132.49 1b4q n PRO 36 Ca -0.03 -1.55 -0.34 0.00 -0.04 0.00 0.00 63.50 61.55 1b4q n PRO 36 Cb 0.51 -2.71 -0.07 0.00 -0.04 0.00 0.00 33.50 31.19 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 5.13 4.36 0.00 0.52 -1.09 -1.26 -2.42 121.20 126.44 1b4q s ILE 37 Ca 0.53 1.54 0.00 0.00 -2.23 0.00 0.00 60.65 60.49 1b4q s ILE 37 Cb 0.13 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1b4q s ILE 37 CO 0.13 -0.23 0.00 0.29 -1.23 0.00 0.00 174.94 173.90 1b4q n LYS 38 N -0.41 -0.11 0.00 2.79 5.02 -1.17 -4.81 118.16 119.46 1b4q n LYS 38 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1b4q n LYS 38 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 -1.01 1.14 -0.29 1.97 1.13 -1.26 -4.02 117.38 115.05 1b4q n GLN 39 Ca 0.00 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.01 1b4q n GLN 39 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.31 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 1.69 0.09 1.08 0.00 -1.26 -3.73 105.19 103.06 1b4q n GLY 40 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 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 3.15 0.13 -4.74 0.99 7.94 -1.26 -4.88 117.00 118.34 1b4q n LEU 41 Ca 0.13 0.06 -0.36 0.00 -1.11 0.00 0.00 56.01 54.73 1b4q n LEU 41 Cb 0.22 0.38 -0.07 0.00 0.53 0.00 0.00 43.42 44.48 1b4q n LEU 41 CO 0.28 0.41 -0.06 -0.22 -1.11 0.00 0.00 177.39 176.69 1b4q s LEU 42 N -5.44 4.25 0.23 -1.96 2.96 -1.24 -1.99 118.68 115.48 1b4q s LEU 42 Ca -0.09 0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1b4q s LEU 42 Cb 0.07 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1b4q s LEU 42 CO 0.84 0.14 0.19 -0.70 -1.32 0.00 0.00 176.35 175.50 1b4q s GLU 43 N 0.33 1.34 -0.21 1.98 2.56 -1.10 -5.04 118.70 118.57 1b4q s GLU 43 Ca 0.15 -1.67 -0.03 0.00 0.00 0.00 0.00 54.97 53.42 1b4q s GLU 43 Cb -0.13 0.30 0.06 0.00 2.00 0.00 0.00 34.13 36.37 1b4q s GLU 43 CO 0.03 -0.47 0.04 -0.06 -0.56 0.00 0.00 175.26 174.24 1b4q s PHE 44 N -3.99 1.09 -0.56 5.30 0.08 -1.26 -2.68 117.98 115.95 1b4q s PHE 44 Ca 0.38 -0.94 -0.19 0.00 0.12 0.00 0.00 56.93 56.29 1b4q s PHE 44 Cb 0.05 -1.08 0.08 0.00 -0.57 0.00 0.00 43.02 41.50 1b4q s PHE 44 CO 0.15 -0.64 0.68 0.08 -0.10 0.00 0.00 175.22 175.39 1b4q s VAL 45 N 1.84 4.82 -0.80 -0.44 1.01 0.46 -4.93 120.40 122.35 1b4q s VAL 45 Ca -0.00 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 1b4q s VAL 45 Cb -0.17 -4.41 0.04 0.00 0.00 0.00 0.00 36.38 31.84 1b4q s VAL 45 CO -0.10 -1.00 1.28 -1.81 0.00 0.00 0.00 175.10 173.47 1b4q s ASP 46 N 3.22 6.26 0.00 3.32 1.01 -1.26 -1.16 116.67 128.06 1b4q s ASP 46 Ca 0.13 -0.79 0.03 0.00 0.71 0.00 0.00 52.55 52.63 1b4q s ASP 46 Cb -0.22 -2.54 0.16 0.00 1.01 0.00 0.00 42.92 41.33 1b4q s ASP 46 CO 0.09 -1.70 0.58 2.30 0.21 0.00 0.00 175.17 176.65 1b4q n ILE 47 N 6.43 0.00 -0.05 0.77 -5.35 -1.08 -1.28 119.36 118.80 1b4q n ILE 47 Ca 0.10 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.52 1b4q n ILE 47 Cb 0.49 -0.87 -0.14 0.00 -1.74 0.00 0.00 39.64 37.38 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 -0.92 1.27 1.00 7.28 -2.24 -1.26 -3.76 114.28 115.65 1b4q n THR 48 Ca 0.02 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.02 1b4q n THR 48 Cb 0.01 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 -2.58 2.44 -1.14 6.98 0.00 -0.40 -3.00 120.51 122.81 1b4q n ALA 49 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1b4q n ALA 49 Cb 1.01 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.00 0.00 -3.78 0.00 5.66 -1.26 -5.08 114.28 109.82 1b4q n THR 50 Ca 0.00 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.04 1b4q n THR 50 Cb 0.23 1.59 -0.01 0.00 -1.55 0.00 0.00 70.33 70.59 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 -4.81 -0.05 1.09 6.94 -1.16 -4.78 115.26 112.49 1b4q n ASN 51 Ca 0.00 0.29 -0.01 0.00 -0.02 0.00 0.00 54.58 54.84 1b4q n ASN 51 Cb 0.24 -0.82 -0.00 0.00 -2.36 0.00 0.00 39.78 36.84 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 -1.93 0.00 -0.04 -2.53 8.25 -1.26 -4.80 115.22 112.91 1b4q n HIS 52 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 1b4q n HIS 52 Cb 0.12 -2.02 -0.01 0.00 1.12 0.00 0.00 29.99 29.21 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 -2.03 -0.06 0.05 1.59 -1.04 -1.25 0.91 114.28 112.46 1b4q n THR 53 Ca -0.01 1.22 0.18 0.00 -2.04 0.00 0.00 64.05 63.40 1b4q n THR 53 Cb 0.50 -1.61 0.68 0.00 -1.82 0.00 0.00 70.33 68.09 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 0.00 -0.56 8.00 -0.26 -1.90 -1.28 115.58 119.59 1b4q h ASN 54 Ca 0.01 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.70 1b4q h ASN 54 Cb 0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 1b4q h ASN 54 CO -0.08 0.00 0.12 -0.33 -1.06 0.00 0.00 177.43 176.08 1b4q h GLU 55 N 0.00 0.90 0.19 0.81 5.08 0.17 0.40 114.58 122.13 1b4q h GLU 55 Ca 0.20 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1b4q h GLU 55 Cb 0.81 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1b4q h GLU 55 CO -0.00 0.85 -0.09 0.82 -1.00 0.00 0.00 179.01 179.59 1b4q h ILE 56 N 0.80 0.91 -0.75 3.13 5.03 -0.36 -1.06 117.51 125.20 1b4q h ILE 56 Ca 0.17 -0.73 0.07 0.00 -0.12 0.00 0.00 64.86 64.26 1b4q h ILE 56 Cb 0.37 1.33 -0.06 0.00 -3.03 0.00 0.00 36.82 35.43 1b4q h ILE 56 CO 0.01 0.16 0.43 1.56 -0.68 0.00 0.00 178.15 179.62 1b4q h GLN 57 N -0.63 0.73 -0.75 2.37 4.20 -1.41 1.11 115.11 120.73 1b4q h GLN 57 Ca -0.03 -0.04 0.15 0.00 0.06 0.00 0.00 58.65 58.79 1b4q h GLN 57 Cb 0.46 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1b4q h GLN 57 CO 0.04 0.48 0.51 -0.44 -0.67 0.00 0.00 178.83 178.75 1b4q h ASP 58 N 0.75 0.37 0.07 1.46 3.32 -0.03 0.39 116.42 122.74 1b4q h ASP 58 Ca 0.35 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 1b4q h ASP 58 Cb 0.26 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.78 1b4q h ASP 58 CO -0.21 0.19 -0.55 0.22 -1.72 0.00 0.00 179.24 177.16 1b4q h TYR 59 N 0.39 0.43 -0.78 4.55 5.03 0.22 -3.09 116.97 123.70 1b4q h TYR 59 Ca 0.37 -0.28 0.17 0.00 2.58 0.00 0.00 58.73 61.57 1b4q h TYR 59 Cb 0.89 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.09 1b4q h TYR 59 CO -0.00 1.17 0.53 -0.07 -1.32 0.00 0.00 178.16 178.47 1b4q h LEU 60 N -0.44 0.33 0.74 2.82 3.38 0.27 0.50 115.31 122.91 1b4q h LEU 60 Ca -0.09 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1b4q h LEU 60 Cb 1.38 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 42.09 1b4q h LEU 60 CO 0.11 0.16 -0.35 -0.61 0.09 0.00 0.00 178.44 177.83 1b4q h GLN 61 N 0.34 -0.95 -0.29 1.13 5.75 -0.30 0.21 115.11 121.00 1b4q h GLN 61 Ca 0.39 0.06 -0.10 0.00 -0.15 0.00 0.00 58.65 58.85 1b4q h GLN 61 Cb 1.02 0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 1b4q h GLN 61 CO -0.12 -0.62 -0.25 0.37 -2.65 0.00 0.00 178.83 175.56 1b4q h GLN 62 N -1.03 0.57 -0.13 1.69 4.15 -1.13 0.89 115.11 120.12 1b4q h GLN 62 Ca -0.10 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 1b4q h GLN 62 Cb 0.77 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 1b4q h GLN 62 CO 0.17 0.77 0.02 1.25 -1.93 0.00 0.00 178.83 179.11 1b4q h LEU 63 N 0.50 0.20 0.00 -2.39 5.85 0.09 -3.41 115.31 116.15 1b4q h LEU 63 Ca 0.07 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1b4q h LEU 63 Cb 0.69 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.67 1b4q h LEU 63 CO 0.05 0.40 -0.37 0.35 -0.34 0.00 0.00 178.44 178.53 1b4q n THR 64 N -4.83 1.10 0.00 1.05 -2.24 0.72 -5.03 114.28 105.06 1b4q n THR 64 Ca -0.05 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1b4q n THR 64 Cb 0.17 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.60 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 2.57 1.95 3.87 3.38 0.00 0.31 -5.00 105.19 112.26 1b4q n GLY 65 Ca -0.05 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 3.82 -0.59 4.61 0.00 -1.26 -4.64 121.76 123.69 1b4q s ALA 66 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.46 1b4q s ALA 66 Cb 0.00 -2.11 0.50 0.00 0.00 0.00 0.00 23.12 21.50 1b4q s ALA 66 CO 0.00 0.58 1.95 2.89 0.00 0.00 0.00 175.76 181.19 1b4q n ARG 67 N 1.80 2.63 -2.31 0.00 -4.01 -1.26 -4.23 116.66 109.27 1b4q n ARG 67 Ca -0.17 -3.28 -0.27 0.00 -1.04 0.00 0.00 57.85 53.09 1b4q n ARG 67 Cb 0.54 -2.26 0.04 0.00 -3.04 0.00 0.00 32.46 27.74 1b4q n ARG 67 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1b4q s THR 68 N -4.47 3.48 -0.12 8.89 -4.23 -1.26 -5.03 115.64 112.90 1b4q s THR 68 Ca 0.62 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.17 1b4q s THR 68 Cb 0.50 -3.40 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 1b4q s THR 68 CO 0.02 -0.43 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.82 1b4q s VAL 69 N -3.06 2.89 0.00 2.29 1.01 -1.26 -4.01 120.40 118.25 1b4q s VAL 69 Ca 0.55 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1b4q s VAL 69 Cb -0.11 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.08 1b4q s VAL 69 CO 0.46 0.54 0.00 -0.81 0.00 0.00 0.00 175.10 175.28 1b4q n PRO 70 N 3.42 0.35 -3.32 2.72 -0.04 -1.26 -4.30 135.00 132.57 1b4q n PRO 70 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.15 1b4q n PRO 70 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.51 0.70 0.46 0.54 1.81 -0.76 -4.41 118.95 115.78 1b4q s ARG 71 Ca 0.00 -0.74 -0.09 0.00 -1.72 0.00 0.00 55.73 53.18 1b4q s ARG 71 Cb 0.00 -0.52 -0.05 0.00 -0.45 0.00 0.00 34.95 33.92 1b4q s ARG 71 CO 0.00 -1.20 0.82 0.08 -0.68 0.00 0.00 175.30 174.32 1b4q s VAL 72 N 1.50 4.80 -0.35 3.52 1.01 -1.08 -1.68 120.40 128.12 1b4q s VAL 72 Ca 0.17 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1b4q s VAL 72 Cb -0.12 -3.79 0.14 0.00 0.00 0.00 0.00 36.38 32.61 1b4q s VAL 72 CO -0.03 -0.70 0.29 -0.36 0.00 0.00 0.00 175.10 174.29 1b4q s PHE 73 N -2.59 0.16 -0.27 5.22 0.40 -0.84 -3.63 117.98 116.42 1b4q s PHE 73 Ca 0.51 -1.14 -0.29 0.00 -0.60 0.00 0.00 56.93 55.41 1b4q s PHE 73 Cb -0.10 -0.65 -0.01 0.00 0.51 0.00 0.00 43.02 42.76 1b4q s PHE 73 CO 0.38 -0.90 1.45 0.42 0.70 0.00 0.00 175.22 177.28 1b4q s ILE 74 N 1.36 3.92 0.00 0.64 -1.09 -0.93 -3.48 121.20 121.62 1b4q s ILE 74 Ca 0.17 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.62 1b4q s ILE 74 Cb -0.19 -3.95 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1b4q s ILE 74 CO -0.05 -0.41 0.00 0.61 -1.23 0.00 0.00 174.94 173.86 1b4q n GLY 75 N 4.53 0.93 0.13 6.18 0.00 -0.51 -1.80 105.19 114.66 1b4q n GLY 75 Ca 0.17 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.61 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 1.08 -3.12 1.61 5.02 -1.26 -4.52 118.16 116.97 1b4q n LYS 76 Ca 0.00 -0.27 -0.41 0.00 -2.02 0.00 0.00 58.31 55.61 1b4q n LYS 76 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 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 -2.11 6.53 0.48 4.39 1.01 -0.75 -5.05 116.67 121.18 1b4q s ASP 77 Ca 0.42 0.55 -0.20 0.00 0.71 0.00 0.00 52.55 54.03 1b4q s ASP 77 Cb 0.21 -2.33 -0.09 0.00 1.01 0.00 0.00 42.92 41.73 1b4q s ASP 77 CO 0.38 -0.42 1.03 -0.55 0.21 0.00 0.00 175.17 175.82 1b4q s SER 78 N 1.56 6.39 -0.02 0.27 0.15 -1.26 -2.19 113.70 118.60 1b4q s SER 78 Ca 0.25 1.90 0.06 0.00 0.70 0.00 0.00 55.95 58.86 1b4q s SER 78 Cb -0.15 -2.56 -0.08 0.00 -1.71 0.00 0.00 66.02 61.52 1b4q s SER 78 CO 0.10 -0.75 0.10 2.30 1.20 0.00 0.00 173.24 176.19 1b4q n ILE 79 N -0.96 0.10 0.00 6.45 -6.64 -1.24 -4.89 119.36 112.18 1b4q n ILE 79 Ca 0.09 -0.16 0.00 0.00 -1.77 0.00 0.00 62.75 60.91 1b4q n ILE 79 Cb 0.53 0.04 0.00 0.00 -1.44 0.00 0.00 39.64 38.76 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 2.30 0.54 0.00 3.28 0.00 -1.26 -4.76 105.19 105.29 1b4q n GLY 80 Ca -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 4.90 0.14 -0.02 0.00 -1.26 -2.63 105.19 106.32 1b4q n GLY 81 Ca 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.27 -0.44 1.61 0.87 -1.81 -1.97 113.55 111.54 1b4q h SER 82 Ca 0.00 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.70 1b4q h SER 82 Cb 0.00 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1b4q h SER 82 CO 0.00 -0.00 0.42 -1.28 -0.53 0.00 0.00 176.83 175.44 1b4q h SER 83 N -0.69 0.00 -0.01 6.23 0.87 -1.94 -0.47 113.55 117.53 1b4q h SER 83 Ca -0.03 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1b4q h SER 83 Cb 0.24 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1b4q h SER 83 CO 0.05 0.00 -0.35 -0.78 -0.53 0.00 0.00 176.83 175.22 1b4q h ASP 84 N 0.00 0.33 0.30 6.23 1.82 -1.89 -3.01 116.42 120.20 1b4q h ASP 84 Ca 0.21 -0.74 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1b4q h ASP 84 Cb 1.05 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.92 1b4q h ASP 84 CO -0.00 1.03 -0.49 0.25 -1.61 0.00 0.00 179.24 178.42 1b4q h LEU 85 N -0.33 -1.39 -0.35 2.28 6.46 -0.28 -2.69 115.31 119.00 1b4q h LEU 85 Ca -0.04 0.13 0.08 0.00 -0.12 0.00 0.00 57.88 57.93 1b4q h LEU 85 Cb 1.07 0.49 -0.08 0.00 -0.73 0.00 0.00 40.66 41.41 1b4q h LEU 85 CO 0.07 -0.59 -0.17 -0.37 -0.62 0.00 0.00 178.44 176.76 1b4q h VAL 86 N -0.85 0.48 -1.03 1.05 -1.51 -1.59 0.87 116.25 113.68 1b4q h VAL 86 Ca -0.03 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.73 1b4q h VAL 86 Cb 0.79 0.48 -0.13 0.00 -2.13 0.00 0.00 31.29 30.30 1b4q h VAL 86 CO -0.17 0.00 0.62 -1.28 -1.23 0.00 0.00 177.57 175.51 1b4q h SER 87 N -0.12 0.56 0.16 4.19 0.87 -1.35 -0.62 113.55 117.25 1b4q h SER 87 Ca 0.18 0.14 -0.26 0.00 -1.23 0.00 0.00 61.79 60.62 1b4q h SER 87 Cb 0.39 0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1b4q h SER 87 CO -0.43 0.01 -1.13 -0.07 -0.53 0.00 0.00 176.83 174.69 1b4q h LEU 88 N 0.44 0.72 0.64 2.23 3.38 -0.61 -3.08 115.31 119.04 1b4q h LEU 88 Ca 0.67 -0.89 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1b4q h LEU 88 Cb 1.49 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 1b4q h LEU 88 CO -0.48 1.54 -0.36 -0.61 0.09 0.00 0.00 178.44 178.62 1b4q h GLN 89 N 0.00 -0.90 0.00 1.13 -0.00 0.57 0.31 115.11 116.22 1b4q h GLN 89 Ca -0.19 0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1b4q h GLN 89 Cb 1.86 0.21 -0.00 0.00 0.00 0.00 0.00 27.48 29.54 1b4q h GLN 89 CO 0.21 -0.60 -0.07 -0.56 0.00 0.00 0.00 178.83 177.81 1b4q h GLN 90 N -0.94 0.00 0.00 1.69 3.07 -1.59 -0.29 115.11 117.05 1b4q h GLN 90 Ca -0.08 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 1b4q h GLN 90 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.30 1b4q h GLN 90 CO 0.11 0.07 -0.16 0.77 0.09 0.00 0.00 178.83 179.70 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -1.28 -3.47 113.55 108.88 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 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 1b4q h SER 91 CO 0.01 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 1b4q n GLY 92 N 1.14 1.69 0.19 -3.77 0.00 0.10 -4.86 105.19 99.67 1b4q n GLY 92 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 2.87 0.00 0.59 1.61 4.57 -1.71 -2.93 114.58 119.59 1b4q h GLU 93 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1b4q h GLU 93 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1b4q h GLU 93 CO 0.00 0.38 -0.28 1.25 -1.18 0.00 0.00 179.01 179.18 1b4q h LEU 94 N 0.00 -0.67 -1.91 1.64 5.85 -1.77 0.31 115.31 118.77 1b4q h LEU 94 Ca -0.00 0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.95 1b4q h LEU 94 Cb 0.71 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.88 1b4q h LEU 94 CO 0.05 -0.46 0.54 0.17 -0.34 0.00 0.00 178.44 178.40 1b4q h LEU 95 N -0.83 0.08 -0.05 2.25 8.10 -1.83 0.33 115.31 123.37 1b4q h LEU 95 Ca -0.08 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.91 1b4q h LEU 95 Cb 0.60 -0.01 -0.00 0.00 -0.44 0.00 0.00 40.66 40.81 1b4q h LEU 95 CO 0.13 0.04 0.01 0.74 -4.11 0.00 0.00 178.44 175.25 1b4q h THR 96 N 0.08 1.21 -0.78 0.15 2.02 -1.27 0.98 112.91 115.31 1b4q h THR 96 Ca 0.37 -0.64 0.10 0.00 0.77 0.00 0.00 66.41 67.01 1b4q h THR 96 Cb 1.33 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 69.23 1b4q h THR 96 CO -0.03 0.17 0.51 -0.09 0.37 0.00 0.00 175.52 176.45 1b4q h ARG 97 N -0.16 0.65 -0.14 6.66 9.65 0.18 0.34 114.38 131.55 1b4q h ARG 97 Ca 0.02 -0.04 -0.19 0.00 -1.10 0.00 0.00 59.98 58.66 1b4q h ARG 97 Cb 0.27 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.71 1b4q h ARG 97 CO 0.00 0.43 -0.70 -0.07 2.80 0.00 0.00 179.97 182.43 1b4q h LEU 98 N 0.67 0.71 0.38 3.80 4.07 -0.44 -3.29 115.31 121.21 1b4q h LEU 98 Ca 0.36 -0.44 -0.02 0.00 0.08 0.00 0.00 57.88 57.86 1b4q h LEU 98 Cb 0.51 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1b4q h LEU 98 CO -0.14 1.20 -0.18 0.50 -1.08 0.00 0.00 178.44 178.74 1b4q h LYS 99 N 0.43 -0.50 -1.07 1.13 3.64 0.47 1.21 116.57 121.88 1b4q h LYS 99 Ca -0.03 0.03 0.29 0.00 -1.27 0.00 0.00 60.65 59.68 1b4q h LYS 99 Cb 1.29 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 33.15 1b4q h LYS 99 CO 0.13 -0.21 0.72 -0.56 -2.27 0.00 0.00 179.45 177.27 1b4q h GLN 100 N -0.77 0.23 0.00 1.90 3.07 -0.92 0.30 115.11 118.92 1b4q h GLN 100 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.67 1b4q h GLN 100 Cb 0.52 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1b4q h GLN 100 CO 0.09 0.15 -1.47 0.44 0.09 0.00 0.00 178.83 178.12 1b4q n ILE 101 N -4.46 0.00 -2.19 1.86 -5.35 -1.16 -4.99 119.36 103.07 1b4q n ILE 101 Ca 0.25 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1b4q n ILE 101 Cb 1.00 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 39.42 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 1.39 0.79 0.14 3.28 0.00 0.27 -4.65 105.19 106.40 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 h ALA 103 N 0.00 0.66 -4.93 4.61 0.00 0.81 -3.47 119.26 116.94 1b4q h ALA 103 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 1b4q h ALA 103 Cb 0.94 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.77 1b4q h ALA 103 CO 0.00 0.00 0.03 1.47 0.00 0.00 0.00 179.25 180.75 1b4q n LEU 104 N -2.70 0.00 0.00 0.00 -0.00 -1.25 -3.05 117.00 110.00 1b4q n LEU 104 Ca 0.02 -1.24 0.15 0.00 -0.00 0.00 0.00 56.01 54.93 1b4q n LEU 104 Cb 0.53 -0.32 0.89 0.00 -0.00 0.00 0.00 43.42 44.51 1b4q n LEU 104 CO 0.38 -0.73 1.05 0.00 -0.00 0.00 0.00 177.39 178.09