#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 -4.84 117.38 121.92 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 -0.85 -1.83 0.00 0.00 177.06 174.38 1b4q n GLU 3 N -1.08 0.00 0.02 2.61 0.28 -1.26 -2.88 120.64 118.33 1b4q n GLU 3 Ca 0.00 0.46 -0.01 0.00 -0.16 0.00 0.00 57.16 57.45 1b4q n GLU 3 Cb 0.00 -1.51 -0.00 0.00 1.43 0.00 0.00 31.44 31.35 1b4q n GLU 3 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 1b4q h PHE 4 N 0.00 -0.05 -0.15 -1.84 -1.00 -1.99 -2.42 116.94 109.50 1b4q h PHE 4 Ca 0.00 -0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.57 1b4q h PHE 4 Cb 0.03 0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.61 1b4q h PHE 4 CO 0.00 -0.03 -0.75 -0.39 -1.61 0.00 0.00 178.31 175.53 1b4q h VAL 5 N -0.06 1.30 -0.66 -0.55 -1.51 -1.93 -3.10 116.25 109.74 1b4q h VAL 5 Ca -0.01 -1.99 0.11 0.00 -1.23 0.00 0.00 66.70 63.59 1b4q h VAL 5 Cb 0.04 1.98 -0.04 0.00 -2.13 0.00 0.00 31.29 31.14 1b4q h VAL 5 CO 0.01 0.63 0.44 0.78 -1.23 0.00 0.00 177.57 178.20 1b4q h ASN 6 N 0.49 0.40 1.01 4.19 2.35 -1.65 0.44 115.58 122.80 1b4q h ASN 6 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1b4q h ASN 6 Cb 1.36 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.66 1b4q h ASN 6 CO 0.15 0.23 0.00 -1.20 -1.65 0.00 0.00 177.43 174.96 1b4q n SER 7 N -4.47 0.60 -0.12 5.81 7.64 -0.91 -3.71 113.62 118.46 1b4q n SER 7 Ca 0.11 0.60 -0.24 0.00 1.01 0.00 0.00 58.87 60.36 1b4q n SER 7 Cb 0.42 -0.75 -0.11 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.11 0.62 -2.68 1.43 5.02 0.14 -4.90 118.16 115.68 1b4q n LYS 8 Ca 0.04 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.18 1b4q n LYS 8 Cb 0.31 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.50 4.78 0.09 -0.18 -4.36 -0.34 -4.92 121.20 113.77 1b4q s ILE 9 Ca -0.34 2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 61.92 1b4q s ILE 9 Cb 0.11 -4.29 0.02 0.00 1.25 0.00 0.00 42.46 39.55 1b4q s ILE 9 CO 0.57 0.13 0.32 0.00 0.24 0.00 0.00 174.94 176.19 1b4q s GLN 10 N 1.22 0.93 0.28 0.37 -2.07 -1.26 -4.85 119.66 114.27 1b4q s GLN 10 Ca 0.52 -0.72 -0.30 0.00 -1.82 0.00 0.00 55.36 53.04 1b4q s GLN 10 Cb -0.21 0.40 -0.13 0.00 -1.09 0.00 0.00 33.01 31.98 1b4q s GLN 10 CO 0.26 -0.33 1.45 -2.30 -1.32 0.00 0.00 175.29 173.06 1b4q n PRO 11 N 0.05 2.29 -1.93 9.60 -0.01 -1.26 -2.22 135.00 141.52 1b4q n PRO 11 Ca -0.16 0.81 -0.08 0.00 -0.01 0.00 0.00 63.50 64.06 1b4q n PRO 11 Cb 0.62 -2.50 -0.01 0.00 -0.01 0.00 0.00 33.50 31.60 1b4q n PRO 11 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1b4q n GLY 12 N 1.87 0.27 2.90 -1.23 0.00 -1.26 -4.95 105.19 102.79 1b4q n GLY 12 Ca 0.09 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.97 0.07 -0.22 1.61 2.20 -0.94 -4.76 119.74 113.74 1b4q s LYS 13 Ca 0.00 0.29 -0.10 0.00 -0.36 0.00 0.00 55.97 55.80 1b4q s LYS 13 Cb 0.00 -0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.12 1b4q s LYS 13 CO 0.00 -0.14 0.13 0.08 -0.36 0.00 0.00 175.35 175.07 1b4q s VAL 14 N 0.95 5.31 0.00 4.02 1.01 -0.84 -1.39 120.40 129.45 1b4q s VAL 14 Ca -0.07 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1b4q s VAL 14 Cb -0.10 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1b4q s VAL 14 CO -0.04 0.40 -0.06 0.54 0.00 0.00 0.00 175.10 175.94 1b4q s VAL 15 N 0.67 0.44 -0.10 2.92 0.11 -1.22 -2.70 120.40 120.52 1b4q s VAL 15 Ca 0.07 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 1b4q s VAL 15 Cb -0.12 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1b4q s VAL 15 CO 0.01 0.02 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.96 1b4q s VAL 16 N -0.36 1.49 -0.28 2.04 1.01 -1.12 -2.03 120.40 121.16 1b4q s VAL 16 Ca -0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.15 1b4q s VAL 16 Cb -0.04 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1b4q s VAL 16 CO -0.00 0.44 0.51 -0.36 0.00 0.00 0.00 175.10 175.69 1b4q s PHE 17 N 0.92 3.25 0.17 5.22 0.40 -0.87 0.20 117.98 127.27 1b4q s PHE 17 Ca -0.08 0.55 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 1b4q s PHE 17 Cb -0.15 -2.76 -0.01 0.00 0.51 0.00 0.00 43.02 40.62 1b4q s PHE 17 CO -0.00 -0.33 0.05 0.44 0.70 0.00 0.00 175.22 176.08 1b4q n ILE 18 N 5.21 0.00 -3.35 0.64 -5.35 -0.25 -1.97 119.36 114.30 1b4q n ILE 18 Ca -0.04 -0.95 -0.20 0.00 -0.27 0.00 0.00 62.75 61.29 1b4q n ILE 18 Cb 0.50 0.32 -0.08 0.00 -1.74 0.00 0.00 39.64 38.64 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 -2.63 0.69 -0.25 6.28 1.02 -1.26 -2.83 119.74 120.76 1b4q s LYS 19 Ca 0.07 -1.15 -0.08 0.00 0.02 0.00 0.00 55.97 54.83 1b4q s LYS 19 Cb 0.00 -0.88 -0.08 0.00 -0.52 0.00 0.00 37.83 36.35 1b4q s LYS 19 CO 0.05 -1.24 1.21 -2.30 -0.92 0.00 0.00 175.35 172.16 1b4q n PRO 20 N 3.91 0.02 0.00 -1.68 -0.02 -1.26 -1.83 135.00 134.14 1b4q n PRO 20 Ca 0.15 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.17 1b4q n PRO 20 Cb 0.45 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 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 5.56 0.00 -3.55 3.45 -1.04 -1.26 -5.11 114.28 112.32 1b4q n THR 21 Ca 0.12 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.76 1b4q n THR 21 Cb 0.45 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.88 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 7.29 0.00 -0.29 0.00 0.11 -1.99 -1.43 132.00 135.69 1b4q h PRO 23 Ca -0.38 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.57 1b4q h PRO 23 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1b4q h PRO 23 CO 0.70 0.00 -0.46 1.88 -0.21 0.00 0.00 178.00 179.91 1b4q h TYR 24 N 0.00 0.92 -0.44 0.65 -1.99 -1.93 -0.57 116.97 113.62 1b4q h TYR 24 Ca 0.07 -0.30 -0.07 0.00 2.00 0.00 0.00 58.73 60.43 1b4q h TYR 24 Cb 0.45 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.97 1b4q h TYR 24 CO 0.00 1.08 -0.02 0.77 -0.00 0.00 0.00 178.16 179.99 1b4q h SER 25 N 0.60 0.69 -0.48 3.88 0.02 -1.46 -2.26 113.55 114.54 1b4q h SER 25 Ca 0.03 -0.16 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 1b4q h SER 25 Cb 1.03 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1b4q h SER 25 CO 0.10 0.77 0.07 0.03 -1.14 0.00 0.00 176.83 176.66 1b4q h ARG 26 N 0.67 0.79 -0.73 3.45 2.47 -1.27 -2.70 114.38 117.07 1b4q h ARG 26 Ca 0.13 -0.22 0.15 0.00 -1.26 0.00 0.00 59.98 58.79 1b4q h ARG 26 Cb 0.44 -0.09 -0.10 0.00 -1.65 0.00 0.00 29.97 28.57 1b4q h ARG 26 CO 0.02 0.81 0.21 0.00 0.56 0.00 0.00 179.97 181.57 1b4q h ARG 27 N 0.66 0.31 -0.75 0.04 3.08 -0.51 0.89 114.38 118.10 1b4q h ARG 27 Ca 0.14 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1b4q h ARG 27 Cb 0.40 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1b4q h ARG 27 CO 0.01 0.21 0.46 0.00 -1.07 0.00 0.00 179.97 179.58 1b4q h ALA 28 N 1.58 1.40 -0.12 0.04 0.00 -1.28 0.62 119.26 121.50 1b4q h ALA 28 Ca 0.41 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1b4q h ALA 28 Cb 0.67 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1b4q h ALA 28 CO -0.47 0.52 -0.24 1.96 0.00 0.00 0.00 179.25 181.03 1b4q h GLN 29 N 1.03 0.37 -0.17 0.00 4.20 0.39 -1.86 115.11 119.08 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 -0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1b4q h GLN 29 CO -0.05 0.84 -0.46 0.93 -0.67 0.00 0.00 178.83 179.42 1b4q h GLU 30 N -0.04 0.41 0.08 1.46 4.39 0.92 -2.42 114.58 119.38 1b4q h GLU 30 Ca 0.00 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1b4q h GLU 30 Cb 0.83 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1b4q h GLU 30 CO 0.05 0.79 -0.04 0.97 -1.16 0.00 0.00 179.01 179.63 1b4q h ILE 31 N 0.33 0.42 -0.00 3.13 -0.00 0.21 -3.26 117.51 118.33 1b4q h ILE 31 Ca 0.02 -1.19 0.00 0.00 -0.00 0.00 0.00 64.86 63.69 1b4q h ILE 31 Cb 0.94 0.76 -0.00 0.00 -0.00 0.00 0.00 36.82 38.52 1b4q h ILE 31 CO 0.08 0.13 0.03 -0.07 -0.00 0.00 0.00 178.15 178.32 1b4q h LEU 32 N -1.00 0.00 -2.15 2.19 3.38 -1.45 0.27 115.31 116.54 1b4q h LEU 32 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1b4q h LEU 32 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1b4q h LEU 32 CO 0.02 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 178.78 1b4q h SER 33 N 0.00 0.00 0.06 -0.43 0.02 -1.47 -0.34 113.55 111.39 1b4q h SER 33 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1b4q h SER 33 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1b4q h SER 33 CO -0.00 0.05 -0.14 0.00 -1.14 0.00 0.00 176.83 175.60 1b4q n GLN 34 N -3.36 1.45 -3.16 3.45 1.13 0.95 -4.86 117.38 112.98 1b4q n GLN 34 Ca -0.02 -0.98 -0.39 0.00 -1.94 0.00 0.00 57.00 53.68 1b4q n GLN 34 Cb 0.20 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.02 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 -2.22 4.31 -0.64 1.08 1.43 -0.14 -4.93 118.68 117.56 1b4q s LEU 35 Ca 0.29 1.05 -0.18 0.00 -1.03 0.00 0.00 54.13 54.26 1b4q s LEU 35 Cb 0.20 -2.93 -0.16 0.00 0.03 0.00 0.00 46.19 43.34 1b4q s LEU 35 CO 0.42 -0.06 1.86 -0.81 0.23 0.00 0.00 176.35 177.99 1b4q n PRO 36 N 3.66 1.32 -2.84 1.29 -0.04 -1.26 -4.90 135.00 132.22 1b4q n PRO 36 Ca -0.04 -1.55 -0.33 0.00 -0.04 0.00 0.00 63.50 61.54 1b4q n PRO 36 Cb 0.51 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 31.21 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 4.93 4.40 0.00 0.52 -1.09 -1.26 -2.56 121.20 126.14 1b4q s ILE 37 Ca 0.51 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 1b4q s ILE 37 Cb 0.13 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1b4q s ILE 37 CO 0.11 -0.27 0.00 0.29 -1.23 0.00 0.00 174.94 173.84 1b4q n LYS 38 N -0.52 -0.47 0.00 2.79 5.02 -1.15 -4.79 118.16 119.04 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 0.54 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 -1.22 0.00 -0.70 1.97 3.00 -1.26 -3.99 117.38 115.18 1b4q n GLN 39 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1b4q n GLN 39 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.14 1b4q n GLN 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1b4q n GLY 40 N 0.00 2.47 0.08 1.08 0.00 -1.26 -3.88 105.19 103.68 1b4q n GLY 40 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 2.82 0.12 -4.74 0.99 7.94 -1.26 -4.88 117.00 118.00 1b4q n LEU 41 Ca 0.32 0.06 -0.36 0.00 -1.11 0.00 0.00 56.01 54.91 1b4q n LEU 41 Cb 0.57 0.33 -0.07 0.00 0.53 0.00 0.00 43.42 44.78 1b4q n LEU 41 CO 0.23 0.35 -0.06 -0.22 -1.11 0.00 0.00 177.39 176.57 1b4q s LEU 42 N -5.32 4.25 0.24 -1.96 2.96 -1.25 -1.99 118.68 115.61 1b4q s LEU 42 Ca -0.09 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 1b4q s LEU 42 Cb 0.08 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 1b4q s LEU 42 CO 0.85 0.14 0.20 -0.70 -1.32 0.00 0.00 176.35 175.51 1b4q s GLU 43 N 0.32 1.40 -0.19 1.98 2.56 -1.10 -5.04 118.70 118.63 1b4q s GLU 43 Ca 0.14 -1.74 -0.03 0.00 0.00 0.00 0.00 54.97 53.35 1b4q s GLU 43 Cb -0.13 0.30 0.06 0.00 2.00 0.00 0.00 34.13 36.36 1b4q s GLU 43 CO 0.03 -0.49 0.05 -0.06 -0.56 0.00 0.00 175.26 174.23 1b4q s PHE 44 N -3.91 0.84 -0.54 5.30 0.08 -1.26 -2.78 117.98 115.71 1b4q s PHE 44 Ca 0.39 -0.74 -0.19 0.00 0.12 0.00 0.00 56.93 56.51 1b4q s PHE 44 Cb 0.05 -0.95 0.08 0.00 -0.57 0.00 0.00 43.02 41.63 1b4q s PHE 44 CO 0.17 -0.59 0.64 0.08 -0.10 0.00 0.00 175.22 175.42 1b4q s VAL 45 N 1.92 4.88 -0.71 -0.44 1.01 0.54 -4.93 120.40 122.67 1b4q s VAL 45 Ca -0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 61.98 60.96 1b4q s VAL 45 Cb -0.17 -4.37 0.04 0.00 0.00 0.00 0.00 36.38 31.88 1b4q s VAL 45 CO -0.08 -0.92 1.22 -1.81 0.00 0.00 0.00 175.10 173.50 1b4q s ASP 46 N 3.08 6.20 0.00 3.32 1.01 -1.26 -1.09 116.67 127.93 1b4q s ASP 46 Ca 0.13 -0.46 0.06 0.00 0.71 0.00 0.00 52.55 52.99 1b4q s ASP 46 Cb -0.22 -2.54 0.34 0.00 1.01 0.00 0.00 42.92 41.52 1b4q s ASP 46 CO 0.09 -1.73 0.85 2.30 0.21 0.00 0.00 175.17 176.89 1b4q n ILE 47 N 6.35 0.13 0.60 0.77 -5.35 -1.13 -1.28 119.36 119.44 1b4q n ILE 47 Ca 0.03 0.03 0.11 0.00 -0.27 0.00 0.00 62.75 62.65 1b4q n ILE 47 Cb 0.48 -0.94 0.08 0.00 -1.74 0.00 0.00 39.64 37.52 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 -1.04 0.21 1.75 7.28 5.66 -1.26 -3.45 114.28 123.43 1b4q n THR 48 Ca 0.04 -0.23 0.03 0.00 -3.05 0.00 0.00 64.05 60.84 1b4q n THR 48 Cb 0.02 0.13 0.16 0.00 -1.55 0.00 0.00 70.33 69.09 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 -1.80 2.41 -1.05 1.79 0.00 -0.41 -3.13 120.51 118.32 1b4q n ALA 49 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1b4q n ALA 49 Cb 0.43 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.60 0.00 -4.63 0.00 5.66 -1.25 -5.13 114.28 108.33 1b4q n THR 50 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1b4q n THR 50 Cb 0.02 1.62 0.00 0.00 -1.55 0.00 0.00 70.33 70.42 1b4q n THR 50 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1b4q n ASN 51 N 0.00 -1.26 -0.34 1.09 2.85 -1.18 -4.80 115.26 111.62 1b4q n ASN 51 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 1b4q n ASN 51 Cb 0.23 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.23 1b4q n ASN 51 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1b4q n HIS 52 N 0.00 -0.05 -0.27 1.20 8.25 -1.26 -4.76 115.22 118.32 1b4q n HIS 52 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1b4q n HIS 52 Cb 0.00 -1.94 -0.06 0.00 1.12 0.00 0.00 29.99 29.11 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 -1.65 -0.43 -0.14 1.59 -2.24 -1.26 0.12 114.28 110.27 1b4q n THR 53 Ca -0.04 1.92 0.19 0.00 -2.27 0.00 0.00 64.05 63.86 1b4q n THR 53 Cb 0.42 -2.41 0.59 0.00 -2.10 0.00 0.00 70.33 66.82 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 0.23 -0.31 3.42 4.21 -1.94 -0.70 115.58 120.49 1b4q h ASN 54 Ca 0.10 0.02 -0.04 0.00 1.21 0.00 0.00 56.30 57.59 1b4q h ASN 54 Cb 0.26 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1b4q h ASN 54 CO -0.60 0.11 0.03 -0.33 -1.29 0.00 0.00 177.43 175.35 1b4q h GLU 55 N 0.24 0.52 0.02 0.81 4.39 0.55 0.30 114.58 121.41 1b4q h GLU 55 Ca 0.36 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 1b4q h GLU 55 Cb 1.08 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1b4q h GLU 55 CO -0.08 0.64 -0.01 0.82 -1.16 0.00 0.00 179.01 179.22 1b4q h ILE 56 N 0.33 1.25 -0.79 3.13 5.03 -0.30 -0.08 117.51 126.07 1b4q h ILE 56 Ca 0.09 -0.83 0.04 0.00 -0.12 0.00 0.00 64.86 64.04 1b4q h ILE 56 Cb 0.39 1.81 -0.05 0.00 -3.03 0.00 0.00 36.82 35.94 1b4q h ILE 56 CO 0.01 0.21 0.50 1.56 -0.68 0.00 0.00 178.15 179.75 1b4q h GLN 57 N -0.39 0.92 -0.58 2.37 4.20 -1.28 1.27 115.11 121.61 1b4q h GLN 57 Ca -0.00 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 58.76 1b4q h GLN 57 Cb 0.37 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1b4q h GLN 57 CO 0.00 0.61 0.39 -0.44 -0.67 0.00 0.00 178.83 178.72 1b4q h ASP 58 N 0.94 0.31 0.01 1.46 5.19 -0.17 0.64 116.42 124.81 1b4q h ASP 58 Ca 0.33 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.75 1b4q h ASP 58 Cb 0.07 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1b4q h ASP 58 CO -0.14 0.18 -0.01 0.22 -3.12 0.00 0.00 179.24 176.38 1b4q h TYR 59 N 0.34 -0.01 -0.75 4.55 3.20 0.22 -3.13 116.97 121.40 1b4q h TYR 59 Ca 0.27 -0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.32 1b4q h TYR 59 Cb 0.61 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1b4q h TYR 59 CO -0.00 0.76 0.51 -0.07 -1.64 0.00 0.00 178.16 177.72 1b4q h LEU 60 N -0.95 0.23 0.40 2.82 3.38 0.21 -0.65 115.31 120.75 1b4q h LEU 60 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1b4q h LEU 60 Cb 0.78 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1b4q h LEU 60 CO 0.00 0.11 -0.23 -0.61 0.09 0.00 0.00 178.44 177.80 1b4q h GLN 61 N 0.23 -0.58 -0.02 1.13 5.75 0.24 0.43 115.11 122.30 1b4q h GLN 61 Ca 0.37 0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.90 1b4q h GLN 61 Cb 1.10 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.78 1b4q h GLN 61 CO -0.08 -0.38 -0.01 0.37 -2.65 0.00 0.00 178.83 176.08 1b4q h GLN 62 N -0.60 0.04 -0.22 1.69 5.75 -1.11 1.10 115.11 121.76 1b4q h GLN 62 Ca -0.05 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 1b4q h GLN 62 Cb 0.48 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1b4q h GLN 62 CO 0.06 0.40 -0.14 1.25 -2.65 0.00 0.00 178.83 177.75 1b4q h LEU 63 N -0.32 0.36 0.00 -2.39 6.46 -1.22 -3.38 115.31 114.82 1b4q h LEU 63 Ca 0.01 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1b4q h LEU 63 Cb 0.39 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1b4q h LEU 63 CO 0.00 0.53 -0.20 0.35 -0.62 0.00 0.00 178.44 178.51 1b4q n THR 64 N -4.22 0.45 0.00 1.05 -2.24 0.15 -5.06 114.28 104.41 1b4q n THR 64 Ca -0.00 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 1b4q n THR 64 Cb 0.31 -1.54 0.00 0.00 -2.10 0.00 0.00 70.33 66.99 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 2.28 4.42 3.87 3.38 0.00 0.38 -4.99 105.19 114.53 1b4q n GLY 65 Ca -0.03 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 3.85 -0.30 4.61 0.00 -1.26 -4.78 121.76 123.87 1b4q s ALA 66 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 51.96 51.50 1b4q s ALA 66 Cb 0.00 -2.05 0.62 0.00 0.00 0.00 0.00 23.12 21.69 1b4q s ALA 66 CO 0.00 0.61 1.65 2.89 0.00 0.00 0.00 175.76 180.90 1b4q n ARG 67 N 1.80 2.82 -2.15 0.00 -4.01 -1.26 -4.15 116.66 109.71 1b4q n ARG 67 Ca -0.17 -3.06 -0.27 0.00 -1.04 0.00 0.00 57.85 53.31 1b4q n ARG 67 Cb 0.54 -2.02 0.06 0.00 -3.04 0.00 0.00 32.46 28.00 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 -3.08 2.71 -0.10 8.89 2.01 -1.26 -5.01 115.64 119.80 1b4q s THR 68 Ca 0.50 -0.05 0.01 0.00 0.31 0.00 0.00 61.69 62.45 1b4q s THR 68 Cb 0.42 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 1b4q s THR 68 CO 0.08 -0.19 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.02 1b4q s VAL 69 N -3.27 3.32 0.00 3.82 1.01 -1.26 -4.24 120.40 119.79 1b4q s VAL 69 Ca 0.59 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1b4q s VAL 69 Cb -0.11 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1b4q s VAL 69 CO 0.47 0.55 0.00 -0.81 0.00 0.00 0.00 175.10 175.31 1b4q n PRO 70 N 2.92 1.18 -3.43 2.72 -0.04 -1.26 -4.37 135.00 132.71 1b4q n PRO 70 Ca -0.18 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.07 1b4q n PRO 70 Cb 0.53 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 -0.22 0.37 0.43 0.54 6.06 -0.83 -4.31 118.95 121.00 1b4q s ARG 71 Ca 0.00 -0.47 -0.08 0.00 -2.50 0.00 0.00 55.73 52.68 1b4q s ARG 71 Cb 0.00 -0.85 -0.05 0.00 0.06 0.00 0.00 34.95 34.11 1b4q s ARG 71 CO 0.00 -1.07 0.77 0.08 -2.50 0.00 0.00 175.30 172.57 1b4q s VAL 72 N 2.02 4.85 -0.36 7.11 1.01 -0.99 -2.05 120.40 131.99 1b4q s VAL 72 Ca 0.11 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1b4q s VAL 72 Cb -0.16 -3.79 0.15 0.00 0.00 0.00 0.00 36.38 32.58 1b4q s VAL 72 CO -0.26 -0.66 0.30 -0.36 0.00 0.00 0.00 175.10 174.13 1b4q s PHE 73 N -2.52 0.06 -0.33 5.22 0.40 -0.86 -3.60 117.98 116.35 1b4q s PHE 73 Ca 0.49 -1.06 -0.29 0.00 -0.60 0.00 0.00 56.93 55.48 1b4q s PHE 73 Cb -0.10 -0.60 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 1b4q s PHE 73 CO 0.37 -0.91 1.52 0.42 0.70 0.00 0.00 175.22 177.32 1b4q s ILE 74 N 1.39 3.80 0.00 0.64 -1.09 -0.70 -3.39 121.20 121.85 1b4q s ILE 74 Ca 0.17 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.45 1b4q s ILE 74 Cb -0.18 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 1b4q s ILE 74 CO -0.05 -0.52 0.00 0.61 -1.23 0.00 0.00 174.94 173.75 1b4q n GLY 75 N 4.91 0.99 0.20 6.18 0.00 -0.49 -1.19 105.19 115.79 1b4q n GLY 75 Ca 0.18 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.64 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 1.26 -3.01 1.61 5.02 -1.26 -4.47 118.16 117.32 1b4q n LYS 76 Ca 0.00 -0.39 -0.42 0.00 -2.02 0.00 0.00 58.31 55.48 1b4q n LYS 76 Cb 0.00 -1.38 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.72 6.48 0.40 4.39 1.01 -0.33 -5.04 116.67 121.85 1b4q s ASP 77 Ca 0.34 0.16 -0.24 0.00 0.71 0.00 0.00 52.55 53.53 1b4q s ASP 77 Cb 0.17 -2.37 -0.09 0.00 1.01 0.00 0.00 42.92 41.64 1b4q s ASP 77 CO 0.27 -0.73 1.05 -0.55 0.21 0.00 0.00 175.17 175.43 1b4q s SER 78 N 1.89 6.76 -0.01 0.27 0.15 -1.26 -1.72 113.70 119.79 1b4q s SER 78 Ca 0.29 2.05 0.09 0.00 0.70 0.00 0.00 55.95 59.07 1b4q s SER 78 Cb -0.13 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.47 1b4q s SER 78 CO 0.18 -0.49 0.25 2.30 1.20 0.00 0.00 173.24 176.67 1b4q n ILE 79 N -0.04 0.00 0.00 6.45 -6.64 -1.24 -4.90 119.36 113.00 1b4q n ILE 79 Ca 0.05 -0.23 0.00 0.00 -1.77 0.00 0.00 62.75 60.80 1b4q n ILE 79 Cb 0.49 0.52 0.00 0.00 -1.44 0.00 0.00 39.64 39.21 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 1.75 0.44 0.00 3.28 0.00 -1.26 -4.66 105.19 104.73 1b4q n GLY 80 Ca -0.01 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 2.03 0.18 -0.02 0.00 -1.26 -2.34 105.19 103.78 1b4q n GLY 81 Ca 0.00 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.35 -0.35 1.61 0.87 -1.80 -1.86 113.55 111.67 1b4q h SER 82 Ca 0.00 0.01 0.10 0.00 -1.23 0.00 0.00 61.79 60.67 1b4q h SER 82 Cb 0.00 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1b4q h SER 82 CO 0.00 -0.03 0.46 -1.28 -0.53 0.00 0.00 176.83 175.45 1b4q h SER 83 N -0.84 0.00 -0.02 6.23 0.87 -1.94 0.13 113.55 117.98 1b4q h SER 83 Ca -0.04 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.45 1b4q h SER 83 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1b4q h SER 83 CO 0.07 0.00 -0.24 0.44 -0.53 0.00 0.00 176.83 176.57 1b4q h ASP 84 N 0.00 0.25 0.43 6.23 5.19 -1.88 -2.93 116.42 123.70 1b4q h ASP 84 Ca 0.16 -0.72 -0.01 0.00 -0.62 0.00 0.00 57.03 55.84 1b4q h ASP 84 Cb 1.09 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.50 1b4q h ASP 84 CO -0.00 0.93 -0.49 0.25 -3.12 0.00 0.00 179.24 176.81 1b4q h LEU 85 N -0.42 -1.36 -0.41 1.55 6.46 0.12 -2.73 115.31 118.52 1b4q h LEU 85 Ca -0.02 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 57.94 1b4q h LEU 85 Cb 0.95 0.46 -0.08 0.00 -0.73 0.00 0.00 40.66 41.26 1b4q h LEU 85 CO 0.05 -0.63 -0.11 -0.37 -0.62 0.00 0.00 178.44 176.75 1b4q h VAL 86 N -0.94 0.56 -1.08 1.05 -1.51 -1.58 0.19 116.25 112.95 1b4q h VAL 86 Ca -0.05 0.00 0.29 0.00 -1.23 0.00 0.00 66.70 65.72 1b4q h VAL 86 Cb 0.84 0.56 -0.11 0.00 -2.13 0.00 0.00 31.29 30.46 1b4q h VAL 86 CO -0.10 0.00 0.68 0.28 -1.23 0.00 0.00 177.57 177.21 1b4q h SER 87 N -0.01 0.44 0.37 4.19 0.02 -1.30 -0.04 113.55 117.21 1b4q h SER 87 Ca 0.20 0.10 -0.32 0.00 -0.84 0.00 0.00 61.79 60.93 1b4q h SER 87 Cb 0.32 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.91 1b4q h SER 87 CO -0.43 0.03 -1.52 -0.07 -1.14 0.00 0.00 176.83 173.70 1b4q h LEU 88 N 0.36 0.59 0.94 5.07 3.38 -0.44 -3.25 115.31 121.96 1b4q h LEU 88 Ca 0.64 -0.73 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1b4q h LEU 88 Cb 1.66 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.23 1b4q h LEU 88 CO -0.35 1.59 -0.48 -0.61 0.09 0.00 0.00 178.44 178.68 1b4q h GLN 89 N 0.10 -1.26 0.00 1.13 -0.00 1.00 0.25 115.11 116.33 1b4q h GLN 89 Ca -0.25 0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1b4q h GLN 89 Cb 2.08 0.29 0.00 0.00 0.00 0.00 0.00 27.48 29.84 1b4q h GLN 89 CO 0.21 -0.84 0.00 -0.56 0.00 0.00 0.00 178.83 177.64 1b4q h GLN 90 N -1.30 0.00 0.00 1.69 -0.00 -1.66 -2.95 115.11 110.88 1b4q h GLN 90 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.52 1b4q h GLN 90 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.49 1b4q h GLN 90 CO 0.19 0.00 -0.02 0.77 -0.00 0.00 0.00 178.83 179.78 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -1.38 -3.49 113.55 108.76 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 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1b4q h SER 91 CO 0.00 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1b4q n GLY 92 N 1.85 0.93 0.17 -3.77 0.00 0.80 -4.97 105.19 100.19 1b4q n GLY 92 Ca -0.00 0.00 0.02 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 0.00 0.00 0.62 1.61 4.57 -1.85 -2.96 114.58 116.57 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 0.44 -0.30 1.25 -1.18 0.00 0.00 179.01 179.22 1b4q h LEU 94 N 0.00 -0.71 -2.03 1.64 5.85 -1.87 -1.06 115.31 117.12 1b4q h LEU 94 Ca -0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.87 1b4q h LEU 94 Cb 0.79 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1b4q h LEU 94 CO 0.06 -0.51 0.35 0.17 -0.34 0.00 0.00 178.44 178.17 1b4q h LEU 95 N -0.84 0.00 -0.08 2.25 8.10 -1.85 0.56 115.31 123.46 1b4q h LEU 95 Ca -0.09 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.90 1b4q h LEU 95 Cb 0.64 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.86 1b4q h LEU 95 CO 0.14 0.00 0.02 0.74 -4.11 0.00 0.00 178.44 175.23 1b4q h THR 96 N 0.00 1.19 -0.13 0.15 2.02 -1.27 0.44 112.91 115.32 1b4q h THR 96 Ca 0.21 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1b4q h THR 96 Cb 0.90 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 68.75 1b4q h THR 96 CO -0.00 0.17 0.06 0.03 0.37 0.00 0.00 175.52 176.14 1b4q h ARG 97 N -0.09 0.17 -0.24 6.66 3.08 0.39 0.99 114.38 125.35 1b4q h ARG 97 Ca 0.02 -0.01 -0.19 0.00 0.07 0.00 0.00 59.98 59.87 1b4q h ARG 97 Cb 0.25 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1b4q h ARG 97 CO 0.00 0.13 -0.60 -0.07 -1.07 0.00 0.00 179.97 178.37 1b4q h LEU 98 N 0.17 0.89 0.30 3.04 4.07 -0.68 -3.28 115.31 119.81 1b4q h LEU 98 Ca 0.05 -0.50 -0.01 0.00 0.08 0.00 0.00 57.88 57.49 1b4q h LEU 98 Cb 0.02 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.51 1b4q h LEU 98 CO -0.01 1.29 -0.14 0.50 -1.08 0.00 0.00 178.44 179.00 1b4q h LYS 99 N 0.59 -0.38 -1.02 1.13 3.64 0.22 0.87 116.57 121.61 1b4q h LYS 99 Ca -0.00 0.03 0.28 0.00 -1.27 0.00 0.00 60.65 59.68 1b4q h LYS 99 Cb 1.20 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 33.04 1b4q h LYS 99 CO 0.13 -0.08 0.70 -0.56 -2.27 0.00 0.00 179.45 177.37 1b4q h GLN 100 N -0.70 0.17 0.00 1.90 3.07 -1.10 0.24 115.11 118.69 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 0.48 -0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.00 1b4q h GLN 100 CO 0.07 0.11 -1.46 0.44 0.09 0.00 0.00 178.83 178.08 1b4q n ILE 101 N -4.39 0.00 -2.25 1.86 -5.35 -1.18 -4.99 119.36 103.06 1b4q n ILE 101 Ca 0.23 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1b4q n ILE 101 Cb 0.98 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 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 0.75 0.10 3.28 0.00 0.13 -4.67 105.19 106.16 1b4q n GLY 102 Ca 0.00 -0.59 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 0.69 -5.98 4.61 0.00 0.25 -3.46 119.26 115.37 1b4q h ALA 103 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 1b4q h ALA 103 Cb 0.98 0.00 0.07 0.00 0.00 0.00 0.00 17.79 18.84 1b4q h ALA 103 CO 0.00 0.00 0.05 1.47 0.00 0.00 0.00 179.25 180.77 1b4q n LEU 104 N -2.34 0.00 0.00 0.00 -0.00 -1.25 -2.93 117.00 110.48 1b4q n LEU 104 Ca 0.03 -2.31 0.15 0.00 -0.00 0.00 0.00 56.01 53.88 1b4q n LEU 104 Cb 0.47 -0.59 0.90 0.00 -0.00 0.00 0.00 43.42 44.20 1b4q n LEU 104 CO 0.36 -0.90 1.07 0.00 -0.00 0.00 0.00 177.39 177.91