#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 -1.52 117.38 120.62 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 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 0.00 0.00 0.04 -1.09 0.28 -1.26 -2.96 120.64 115.65 1b4q n GLU 3 Ca 0.00 0.32 -0.02 0.00 -0.16 0.00 0.00 57.16 57.30 1b4q n GLU 3 Cb 0.00 -1.56 -0.01 0.00 1.43 0.00 0.00 31.44 31.31 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 -0.10 -0.15 -1.84 -1.00 -1.71 -2.14 116.94 110.01 1b4q h PHE 4 Ca 0.00 -0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 1b4q h PHE 4 Cb 0.11 0.03 0.01 0.00 3.61 0.00 0.00 35.95 39.71 1b4q h PHE 4 CO 0.00 -0.06 -0.75 -0.39 -1.61 0.00 0.00 178.31 175.50 1b4q h VAL 5 N -0.11 1.29 -0.48 -0.55 -1.51 -1.83 -3.07 116.25 109.99 1b4q h VAL 5 Ca -0.01 -1.96 0.14 0.00 -1.23 0.00 0.00 66.70 63.64 1b4q h VAL 5 Cb 0.08 2.01 -0.02 0.00 -2.13 0.00 0.00 31.29 31.23 1b4q h VAL 5 CO 0.02 0.62 0.34 0.78 -1.23 0.00 0.00 177.57 178.10 1b4q h ASN 6 N 0.49 0.00 1.41 4.19 2.35 -1.65 0.43 115.58 122.79 1b4q h ASN 6 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1b4q h ASN 6 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1b4q h ASN 6 CO 0.16 0.00 0.00 0.28 -1.65 0.00 0.00 177.43 176.22 1b4q h SER 7 N 0.00 0.00 0.01 5.81 0.02 -1.28 -3.32 113.55 114.79 1b4q h SER 7 Ca 0.23 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.77 1b4q h SER 7 Cb 0.91 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.39 1b4q h SER 7 CO -0.00 0.00 -2.36 0.29 -1.14 0.00 0.00 176.83 173.62 1b4q n LYS 8 N -2.85 0.64 -2.62 3.45 5.02 0.13 -4.92 118.16 117.02 1b4q n LYS 8 Ca 0.03 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 56.13 1b4q n LYS 8 Cb 0.40 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.51 4.61 0.08 -0.18 -4.36 -0.27 -4.94 121.20 113.63 1b4q s ILE 9 Ca -0.34 1.88 -0.11 0.00 -0.26 0.00 0.00 60.65 61.81 1b4q s ILE 9 Cb 0.10 -4.20 0.01 0.00 1.25 0.00 0.00 42.46 39.62 1b4q s ILE 9 CO 0.58 0.12 0.26 0.00 0.24 0.00 0.00 174.94 176.14 1b4q s GLN 10 N 1.21 0.87 0.13 0.37 -2.07 -1.26 -4.85 119.66 114.07 1b4q s GLN 10 Ca 0.53 -0.77 -0.33 0.00 -1.82 0.00 0.00 55.36 52.97 1b4q s GLN 10 Cb -0.23 0.37 -0.13 0.00 -1.09 0.00 0.00 33.01 31.93 1b4q s GLN 10 CO 0.27 -0.29 1.69 -2.30 -1.32 0.00 0.00 175.29 173.34 1b4q n PRO 11 N 0.11 2.40 -1.71 9.60 -0.02 -1.26 -2.03 135.00 142.08 1b4q n PRO 11 Ca -0.16 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1b4q n PRO 11 Cb 0.62 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 3.79 0.45 2.96 -1.23 0.00 -1.26 -4.97 105.19 104.94 1b4q n GLY 12 Ca 0.18 -0.88 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 0.12 -0.15 1.61 2.20 -0.86 -4.77 119.74 114.42 1b4q s LYS 13 Ca 0.00 0.22 -0.06 0.00 -0.36 0.00 0.00 55.97 55.77 1b4q s LYS 13 Cb 0.00 -0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 1b4q s LYS 13 CO 0.00 -0.06 0.06 0.08 -0.36 0.00 0.00 175.35 175.07 1b4q s VAL 14 N 0.41 4.81 -0.02 4.02 1.01 -0.31 -0.43 120.40 129.88 1b4q s VAL 14 Ca -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 61.88 1b4q s VAL 14 Cb -0.04 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1b4q s VAL 14 CO -0.02 0.53 0.07 0.54 0.00 0.00 0.00 175.10 176.22 1b4q s VAL 15 N -0.22 0.03 -0.12 2.92 0.11 -1.22 -2.74 120.40 119.16 1b4q s VAL 15 Ca 0.08 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 1b4q s VAL 15 Cb -0.12 -0.18 0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1b4q s VAL 15 CO 0.01 -0.13 -0.12 -0.69 -3.33 0.00 0.00 175.10 170.84 1b4q s VAL 16 N -0.40 1.34 -0.21 2.04 1.01 -0.82 -2.17 120.40 121.18 1b4q s VAL 16 Ca -0.05 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 1b4q s VAL 16 Cb -0.03 -1.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 1b4q s VAL 16 CO 0.00 0.41 0.61 -0.36 0.00 0.00 0.00 175.10 175.77 1b4q s PHE 17 N 1.32 3.35 0.19 5.22 0.40 -1.16 0.99 117.98 128.28 1b4q s PHE 17 Ca -0.01 0.88 0.02 0.00 -0.60 0.00 0.00 56.93 57.23 1b4q s PHE 17 Cb -0.14 -2.79 -0.01 0.00 0.51 0.00 0.00 43.02 40.59 1b4q s PHE 17 CO -0.06 -0.20 0.08 0.44 0.70 0.00 0.00 175.22 176.18 1b4q n ILE 18 N 4.79 0.00 -3.41 0.64 -5.35 -0.02 -2.83 119.36 113.19 1b4q n ILE 18 Ca -0.02 -1.12 -0.20 0.00 -0.27 0.00 0.00 62.75 61.14 1b4q n ILE 18 Cb 0.50 0.43 -0.10 0.00 -1.74 0.00 0.00 39.64 38.73 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 -2.72 0.47 -0.48 6.28 1.02 -1.26 -2.56 119.74 120.49 1b4q s LYS 19 Ca 0.11 -0.65 -0.10 0.00 0.02 0.00 0.00 55.97 55.36 1b4q s LYS 19 Cb 0.01 -0.83 -0.12 0.00 -0.52 0.00 0.00 37.83 36.37 1b4q s LYS 19 CO 0.08 -1.12 1.56 -2.30 -0.92 0.00 0.00 175.35 172.64 1b4q n PRO 20 N 4.69 0.06 0.00 -1.68 -0.02 -1.26 -1.92 135.00 134.87 1b4q n PRO 20 Ca 0.05 -0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 1b4q n PRO 20 Cb 0.44 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 6.13 0.00 -3.57 3.45 -1.04 -1.26 -5.11 114.28 112.88 1b4q n THR 21 Ca 0.24 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.87 1b4q n THR 21 Cb 0.43 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.84 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 8.01 0.00 -0.33 0.00 0.11 -1.99 -2.02 132.00 135.79 1b4q h PRO 23 Ca -0.35 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 1b4q h PRO 23 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1b4q h PRO 23 CO 0.61 0.00 -0.21 1.88 -0.21 0.00 0.00 178.00 180.07 1b4q h TYR 24 N 0.00 0.85 -0.40 0.65 -1.99 -1.92 0.48 116.97 114.63 1b4q h TYR 24 Ca 0.00 -0.23 -0.09 0.00 2.00 0.00 0.00 58.73 60.41 1b4q h TYR 24 Cb 0.00 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 1b4q h TYR 24 CO 0.00 0.96 -0.13 0.77 -0.00 0.00 0.00 178.16 179.76 1b4q h SER 25 N 0.49 0.71 -0.87 3.88 0.02 -1.56 -1.97 113.55 114.26 1b4q h SER 25 Ca 0.07 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1b4q h SER 25 Cb 0.76 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 1b4q h SER 25 CO 0.06 0.86 0.51 -0.09 -1.14 0.00 0.00 176.83 177.03 1b4q h ARG 26 N 0.65 1.20 -0.51 3.45 9.65 -1.29 -1.80 114.38 125.73 1b4q h ARG 26 Ca 0.11 -0.12 0.08 0.00 -1.10 0.00 0.00 59.98 58.95 1b4q h ARG 26 Cb 0.59 -0.25 -0.07 0.00 -1.39 0.00 0.00 29.97 28.86 1b4q h ARG 26 CO 0.04 0.86 0.12 0.00 2.80 0.00 0.00 179.97 183.79 1b4q h ARG 27 N 1.22 0.26 -0.69 0.20 3.08 -0.13 0.29 114.38 118.62 1b4q h ARG 27 Ca 0.31 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.38 1b4q h ARG 27 Cb -0.02 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1b4q h ARG 27 CO -0.06 0.17 0.45 0.00 -1.07 0.00 0.00 179.97 179.47 1b4q h ALA 28 N 1.39 1.61 -0.22 0.04 0.00 -1.13 0.19 119.26 121.14 1b4q h ALA 28 Ca 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1b4q h ALA 28 Cb 0.34 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1b4q h ALA 28 CO -0.32 0.32 -0.31 1.96 0.00 0.00 0.00 179.25 180.91 1b4q h GLN 29 N 0.83 0.59 -0.16 0.00 4.20 -0.34 -1.61 115.11 118.62 1b4q h GLN 29 Ca 0.27 -0.35 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 1b4q h GLN 29 Cb 0.06 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1b4q h GLN 29 CO -0.08 0.95 -0.45 0.93 -0.67 0.00 0.00 178.83 179.52 1b4q h GLU 30 N 0.28 0.40 0.02 1.46 4.39 0.19 -2.09 114.58 119.21 1b4q h GLU 30 Ca 0.02 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 1b4q h GLU 30 Cb 0.89 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1b4q h GLU 30 CO 0.07 0.77 -0.01 0.97 -1.16 0.00 0.00 179.01 179.65 1b4q h ILE 31 N 0.32 0.73 -0.03 3.13 -0.00 -0.64 -3.29 117.51 117.73 1b4q h ILE 31 Ca 0.02 -1.51 0.01 0.00 -0.00 0.00 0.00 64.86 63.38 1b4q h ILE 31 Cb 0.92 1.36 -0.00 0.00 -0.00 0.00 0.00 36.82 39.10 1b4q h ILE 31 CO 0.08 0.24 0.04 -0.07 -0.00 0.00 0.00 178.15 178.44 1b4q h LEU 32 N -1.00 0.00 -2.24 2.19 3.38 -1.40 0.27 115.31 116.51 1b4q h LEU 32 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1b4q h LEU 32 Cb 0.41 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1b4q h LEU 32 CO 0.00 0.00 -0.04 0.77 0.09 0.00 0.00 178.44 179.26 1b4q h SER 33 N 0.00 0.00 -0.03 -0.43 4.64 -1.44 0.61 113.55 116.90 1b4q h SER 33 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1b4q h SER 33 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1b4q h SER 33 CO -0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1b4q n GLN 34 N -3.36 1.68 -3.34 4.77 1.13 0.93 -4.84 117.38 114.35 1b4q n GLN 34 Ca -0.02 -0.99 -0.38 0.00 -1.94 0.00 0.00 57.00 53.67 1b4q n GLN 34 Cb 0.18 -1.47 -0.07 0.00 0.11 0.00 0.00 30.24 28.99 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 -1.96 4.21 -0.53 1.08 1.43 0.21 -4.95 118.68 118.17 1b4q s LEU 35 Ca 0.37 0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 53.96 1b4q s LEU 35 Cb 0.21 -2.61 -0.17 0.00 0.03 0.00 0.00 46.19 43.65 1b4q s LEU 35 CO 0.33 -0.05 1.77 -0.81 0.23 0.00 0.00 176.35 177.82 1b4q n PRO 36 N 4.12 1.10 -2.81 1.29 -0.04 -1.26 -4.89 135.00 132.51 1b4q n PRO 36 Ca -0.07 -1.40 -0.34 0.00 -0.04 0.00 0.00 63.50 61.64 1b4q n PRO 36 Cb 0.51 -2.61 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 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 5.11 4.33 0.02 0.52 -1.09 -1.26 -2.46 121.20 126.38 1b4q s ILE 37 Ca 0.49 1.59 -0.00 0.00 -2.23 0.00 0.00 60.65 60.50 1b4q s ILE 37 Cb 0.12 -3.73 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1b4q s ILE 37 CO 0.12 -0.17 0.01 0.29 -1.23 0.00 0.00 174.94 173.97 1b4q n LYS 38 N -0.24 -0.95 0.00 2.79 5.02 -1.17 -4.79 118.16 118.82 1b4q n LYS 38 Ca 0.05 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1b4q n LYS 38 Cb 0.53 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.51 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 -1.49 0.12 -0.19 1.97 6.02 -1.26 -3.85 117.38 118.69 1b4q n GLN 39 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1b4q n GLN 39 Cb 0.01 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.24 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 1.34 0.01 1.08 0.00 -1.26 -3.67 105.19 102.69 1b4q n GLY 40 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 2.73 0.27 -4.47 0.99 7.94 -1.25 -4.86 117.00 118.35 1b4q n LEU 41 Ca 0.08 -0.12 -0.34 0.00 -1.11 0.00 0.00 56.01 54.51 1b4q n LEU 41 Cb 0.18 -0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.01 1b4q n LEU 41 CO 0.19 0.06 -0.34 -0.22 -1.11 0.00 0.00 177.39 175.97 1b4q s LEU 42 N -4.13 3.28 0.11 -1.96 2.96 -1.24 -1.17 118.68 116.53 1b4q s LEU 42 Ca -0.04 -0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1b4q s LEU 42 Cb 0.14 -1.81 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1b4q s LEU 42 CO 0.90 0.11 0.03 -0.70 -1.32 0.00 0.00 176.35 175.36 1b4q s GLU 43 N 0.72 0.85 -0.22 1.98 2.56 -1.11 -5.03 118.70 118.45 1b4q s GLU 43 Ca -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 54.97 53.59 1b4q s GLU 43 Cb -0.14 0.19 0.06 0.00 2.00 0.00 0.00 34.13 36.24 1b4q s GLU 43 CO 0.02 -0.20 -0.05 -0.06 -0.56 0.00 0.00 175.26 174.40 1b4q s PHE 44 N -3.98 2.27 -0.46 5.30 0.08 -1.26 -1.95 117.98 117.97 1b4q s PHE 44 Ca 0.19 -1.64 -0.18 0.00 0.12 0.00 0.00 56.93 55.42 1b4q s PHE 44 Cb 0.07 -1.53 0.04 0.00 -0.57 0.00 0.00 43.02 41.03 1b4q s PHE 44 CO -0.02 -0.75 0.53 0.08 -0.10 0.00 0.00 175.22 174.96 1b4q s VAL 45 N 1.44 4.99 -0.73 -0.44 1.01 0.28 -4.94 120.40 122.02 1b4q s VAL 45 Ca -0.05 -0.44 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1b4q s VAL 45 Cb -0.18 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.07 1b4q s VAL 45 CO -0.07 -0.61 1.19 -1.81 0.00 0.00 0.00 175.10 173.80 1b4q s ASP 46 N 2.25 6.18 0.00 3.32 1.11 -1.26 -0.84 116.67 127.44 1b4q s ASP 46 Ca 0.13 -0.66 0.01 0.00 0.18 0.00 0.00 52.55 52.22 1b4q s ASP 46 Cb -0.18 -2.51 0.08 0.00 1.07 0.00 0.00 42.92 41.38 1b4q s ASP 46 CO 0.13 -1.70 0.35 2.30 1.18 0.00 0.00 175.17 177.43 1b4q n ILE 47 N 6.24 0.00 -0.03 0.77 -5.35 -1.06 -1.48 119.36 118.46 1b4q n ILE 47 Ca 0.02 0.00 -0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1b4q n ILE 47 Cb 0.48 -0.67 -0.14 0.00 -1.74 0.00 0.00 39.64 37.57 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 -0.72 0.88 0.95 7.28 -2.24 -1.26 -4.14 114.28 115.03 1b4q n THR 48 Ca 0.01 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1b4q n THR 48 Cb 0.00 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 -2.49 2.43 -1.34 6.98 0.00 -0.55 -3.13 120.51 122.42 1b4q n ALA 49 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1b4q n ALA 49 Cb 0.88 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.90 0.00 5.66 -1.26 -5.10 114.28 111.87 1b4q n THR 50 Ca 0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 1b4q n THR 50 Cb 0.32 1.29 -0.03 0.00 -1.55 0.00 0.00 70.33 70.36 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 -5.46 -2.41 1.09 3.02 -1.18 -4.84 115.26 105.48 1b4q n ASN 51 Ca 0.00 0.81 -0.17 0.00 -0.03 0.00 0.00 54.58 55.18 1b4q n ASN 51 Cb 0.26 -2.27 -0.01 0.00 -0.61 0.00 0.00 39.78 37.15 1b4q n ASN 51 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1b4q n HIS 52 N -2.78 -1.16 -0.21 3.10 8.25 -1.26 -4.84 115.22 116.32 1b4q n HIS 52 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1b4q n HIS 52 Cb 0.34 -3.48 -0.04 0.00 1.12 0.00 0.00 29.99 27.93 1b4q n HIS 52 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1b4q h THR 53 N 0.00 0.08 -0.40 1.59 2.02 -1.89 0.32 112.91 114.64 1b4q h THR 53 Ca -0.41 0.00 0.08 0.00 0.77 0.00 0.00 66.41 66.85 1b4q h THR 53 Cb 1.31 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1b4q h THR 53 CO 0.49 0.00 0.28 0.78 0.37 0.00 0.00 175.52 177.43 1b4q h ASN 54 N -0.22 0.14 -0.38 4.18 2.35 -1.91 -1.96 115.58 117.77 1b4q h ASN 54 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 1b4q h ASN 54 Cb 0.56 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1b4q h ASN 54 CO -0.70 0.09 0.14 -0.33 -1.65 0.00 0.00 177.43 174.99 1b4q h GLU 55 N 0.16 0.58 0.27 0.81 4.39 -0.71 0.47 114.58 120.54 1b4q h GLU 55 Ca 0.18 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 1b4q h GLU 55 Cb 0.52 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1b4q h GLU 55 CO -0.03 0.57 -0.13 0.82 -1.16 0.00 0.00 179.01 179.08 1b4q h ILE 56 N 0.47 0.77 -0.95 3.13 5.03 -1.00 -1.21 117.51 123.74 1b4q h ILE 56 Ca 0.13 -0.62 0.06 0.00 -0.12 0.00 0.00 64.86 64.31 1b4q h ILE 56 Cb 0.21 1.10 -0.06 0.00 -3.03 0.00 0.00 36.82 35.03 1b4q h ILE 56 CO -0.01 0.13 0.61 1.56 -0.68 0.00 0.00 178.15 179.75 1b4q h GLN 57 N -0.70 1.07 -0.69 2.37 4.20 -1.43 0.88 115.11 120.80 1b4q h GLN 57 Ca -0.04 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.74 1b4q h GLN 57 Cb 0.48 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1b4q h GLN 57 CO 0.06 0.71 0.47 -0.44 -0.67 0.00 0.00 178.83 178.95 1b4q h ASP 58 N 1.10 0.35 0.02 1.46 5.19 0.12 0.48 116.42 125.16 1b4q h ASP 58 Ca 0.41 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.80 1b4q h ASP 58 Cb 0.16 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.62 1b4q h ASP 58 CO -0.17 0.19 -0.17 0.22 -3.12 0.00 0.00 179.24 176.19 1b4q h TYR 59 N 0.38 0.13 -0.73 4.55 5.03 0.17 -3.08 116.97 123.42 1b4q h TYR 59 Ca 0.33 -0.09 0.16 0.00 2.58 0.00 0.00 58.73 61.72 1b4q h TYR 59 Cb 0.77 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.00 1b4q h TYR 59 CO -0.00 1.02 0.50 -0.07 -1.32 0.00 0.00 178.16 178.28 1b4q h LEU 60 N -0.79 0.29 0.76 2.82 3.38 0.14 0.49 115.31 122.40 1b4q h LEU 60 Ca -0.03 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1b4q h LEU 60 Cb 1.08 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1b4q h LEU 60 CO 0.03 0.15 -0.37 -0.61 0.09 0.00 0.00 178.44 177.73 1b4q h GLN 61 N 0.31 -0.98 -0.35 1.13 5.75 -0.09 0.31 115.11 121.18 1b4q h GLN 61 Ca 0.36 0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.83 1b4q h GLN 61 Cb 0.97 0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.72 1b4q h GLN 61 CO -0.09 -0.65 -0.19 0.37 -2.65 0.00 0.00 178.83 175.61 1b4q h GLN 62 N -1.05 0.66 -0.06 1.69 5.75 -1.14 0.55 115.11 121.51 1b4q h GLN 62 Ca -0.10 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.15 1b4q h GLN 62 Cb 0.79 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 1b4q h GLN 62 CO 0.17 0.81 0.01 1.25 -2.65 0.00 0.00 178.83 178.42 1b4q h LEU 63 N 0.58 0.09 0.00 -2.39 5.85 0.07 -3.41 115.31 116.10 1b4q h LEU 63 Ca 0.09 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1b4q h LEU 63 Cb 0.65 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1b4q h LEU 63 CO 0.05 0.34 -0.15 0.35 -0.34 0.00 0.00 178.44 178.68 1b4q n THR 64 N -4.90 0.39 0.00 1.05 -2.24 0.11 -5.05 114.28 103.63 1b4q n THR 64 Ca -0.07 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1b4q n THR 64 Cb 0.16 -1.48 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 2.40 1.12 3.82 3.38 0.00 0.19 -4.99 105.19 111.11 1b4q n GLY 65 Ca -0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 3.76 -0.39 4.61 0.00 -1.26 -4.67 121.76 123.81 1b4q s ALA 66 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.50 1b4q s ALA 66 Cb 0.00 -2.16 0.51 0.00 0.00 0.00 0.00 23.12 21.46 1b4q s ALA 66 CO 0.00 0.44 1.50 2.89 0.00 0.00 0.00 175.76 180.58 1b4q n ARG 67 N 2.42 2.73 -1.84 0.00 -4.01 -1.26 -4.30 116.66 110.40 1b4q n ARG 67 Ca -0.17 -2.10 -0.29 0.00 -1.04 0.00 0.00 57.85 54.25 1b4q n ARG 67 Cb 0.53 -1.91 0.09 0.00 -3.04 0.00 0.00 32.46 28.14 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 -2.22 2.15 -0.06 8.89 2.01 -1.26 -5.00 115.64 120.15 1b4q s THR 68 Ca 0.38 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.49 1b4q s THR 68 Cb 0.31 -3.01 -0.01 0.00 0.01 0.00 0.00 72.50 69.80 1b4q s THR 68 CO 0.09 -0.06 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.02 1b4q s VAL 69 N -3.51 2.06 0.00 3.82 1.01 -1.26 -4.27 120.40 118.25 1b4q s VAL 69 Ca 0.62 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1b4q s VAL 69 Cb -0.12 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.52 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 2.97 0.82 -3.30 2.72 -0.04 -1.26 -4.32 135.00 132.58 1b4q n PRO 70 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.19 1b4q n PRO 70 Cb 0.52 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.02 0.61 0.59 0.54 6.06 -1.13 -4.15 118.95 120.44 1b4q s ARG 71 Ca 0.00 -0.38 -0.09 0.00 -2.50 0.00 0.00 55.73 52.76 1b4q s ARG 71 Cb 0.00 -0.38 -0.03 0.00 0.06 0.00 0.00 34.95 34.60 1b4q s ARG 71 CO 0.00 -1.14 0.96 0.08 -2.50 0.00 0.00 175.30 172.69 1b4q s VAL 72 N 1.90 4.60 -0.35 7.11 1.01 -0.12 -2.99 120.40 131.56 1b4q s VAL 72 Ca 0.14 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1b4q s VAL 72 Cb -0.12 -3.81 0.14 0.00 0.00 0.00 0.00 36.38 32.60 1b4q s VAL 72 CO -0.13 -0.98 0.29 -0.36 0.00 0.00 0.00 175.10 173.92 1b4q s PHE 73 N -3.06 0.10 -0.53 5.22 0.40 -0.92 -3.40 117.98 115.78 1b4q s PHE 73 Ca 0.53 -1.05 -0.27 0.00 -0.60 0.00 0.00 56.93 55.53 1b4q s PHE 73 Cb -0.11 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 1b4q s PHE 73 CO 0.51 -0.90 1.69 0.42 0.70 0.00 0.00 175.22 177.63 1b4q s ILE 74 N 1.44 3.54 0.00 0.64 -1.09 -0.89 -3.46 121.20 121.38 1b4q s ILE 74 Ca 0.16 0.43 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1b4q s ILE 74 Cb -0.18 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1b4q s ILE 74 CO -0.07 -0.89 0.00 0.61 -1.23 0.00 0.00 174.94 173.36 1b4q n GLY 75 N 5.48 0.56 0.20 6.18 0.00 0.43 -2.07 105.19 115.97 1b4q n GLY 75 Ca 0.18 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.57 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 0.47 1.16 -3.02 1.61 5.02 -1.25 -4.46 118.16 117.69 1b4q n LYS 76 Ca 0.00 -0.41 -0.43 0.00 -2.02 0.00 0.00 58.31 55.46 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 -2.12 6.42 0.46 4.39 1.01 -0.88 -5.04 116.67 120.91 1b4q s ASP 77 Ca 0.40 -0.03 -0.22 0.00 0.71 0.00 0.00 52.55 53.41 1b4q s ASP 77 Cb 0.21 -2.36 -0.08 0.00 1.01 0.00 0.00 42.92 41.70 1b4q s ASP 77 CO 0.38 -0.79 1.09 -0.55 0.21 0.00 0.00 175.17 175.51 1b4q s SER 78 N 1.98 6.36 -0.01 0.27 0.15 -1.26 -2.10 113.70 119.09 1b4q s SER 78 Ca 0.27 2.10 0.06 0.00 0.70 0.00 0.00 55.95 59.08 1b4q s SER 78 Cb -0.13 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 61.51 1b4q s SER 78 CO 0.19 -0.78 0.11 2.30 1.20 0.00 0.00 173.24 176.27 1b4q n ILE 79 N -0.58 0.04 0.00 6.45 -5.35 -1.22 -4.89 119.36 113.81 1b4q n ILE 79 Ca 0.08 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 1b4q n ILE 79 Cb 0.50 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.63 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 2.24 0.49 0.00 3.28 0.00 -1.26 -4.68 105.19 105.26 1b4q n GLY 80 Ca -0.02 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 3.15 0.13 -0.02 0.00 -1.26 -0.94 105.19 106.24 1b4q n GLY 81 Ca 0.00 -1.70 -0.05 0.00 0.00 0.00 0.00 46.02 44.27 1b4q n GLY 81 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b4q h SER 82 N 0.00 -0.25 -0.72 1.61 4.64 -1.81 -1.14 113.55 115.87 1b4q h SER 82 Ca 0.00 0.01 0.21 0.00 -0.47 0.00 0.00 61.79 61.54 1b4q h SER 82 Cb 0.00 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.13 1b4q h SER 82 CO 0.00 -0.07 0.62 -1.28 -0.87 0.00 0.00 176.83 175.23 1b4q h SER 83 N -0.52 0.00 -0.01 4.97 0.87 -1.95 0.51 113.55 117.42 1b4q h SER 83 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 1b4q h SER 83 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1b4q h SER 83 CO 0.05 0.00 -0.04 0.44 -0.53 0.00 0.00 176.83 176.75 1b4q h ASP 84 N 0.00 0.05 0.61 6.23 5.19 -1.88 -3.02 116.42 123.60 1b4q h ASP 84 Ca 0.34 -0.69 -0.02 0.00 -0.62 0.00 0.00 57.03 56.04 1b4q h ASP 84 Cb 1.58 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 41.05 1b4q h ASP 84 CO -0.00 0.74 -0.51 0.25 -3.12 0.00 0.00 179.24 176.60 1b4q h LEU 85 N -0.63 -1.35 -0.69 1.55 6.46 0.40 -2.77 115.31 118.28 1b4q h LEU 85 Ca -0.00 0.10 0.15 0.00 -0.12 0.00 0.00 57.88 58.00 1b4q h LEU 85 Cb 0.74 0.43 -0.11 0.00 -0.73 0.00 0.00 40.66 40.98 1b4q h LEU 85 CO 0.01 -0.70 0.07 -0.37 -0.62 0.00 0.00 178.44 176.82 1b4q h VAL 86 N -1.09 0.46 -0.70 1.05 -1.51 -1.52 0.15 116.25 113.10 1b4q h VAL 86 Ca -0.08 -0.06 0.15 0.00 -1.23 0.00 0.00 66.70 65.48 1b4q h VAL 86 Cb 0.91 0.28 -0.11 0.00 -2.13 0.00 0.00 31.29 30.25 1b4q h VAL 86 CO -0.00 0.03 0.14 -1.28 -1.23 0.00 0.00 177.57 175.22 1b4q h SER 87 N 0.17 -0.05 -0.28 4.19 0.87 -1.36 -0.28 113.55 116.81 1b4q h SER 87 Ca 0.38 0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.92 1b4q h SER 87 Cb 0.64 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 1b4q h SER 87 CO -0.56 -0.05 -0.44 -0.07 -0.53 0.00 0.00 176.83 175.18 1b4q h LEU 88 N 0.24 0.92 0.83 2.23 3.38 -0.57 -2.72 115.31 119.61 1b4q h LEU 88 Ca 0.39 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1b4q h LEU 88 Cb 0.65 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1b4q h LEU 88 CO -0.51 1.22 -0.40 -0.61 0.09 0.00 0.00 178.44 178.24 1b4q h GLN 89 N 0.68 -1.07 0.00 1.13 5.75 0.62 0.77 115.11 122.98 1b4q h GLN 89 Ca 0.04 0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1b4q h GLN 89 Cb 1.02 0.24 -0.00 0.00 1.07 0.00 0.00 27.48 29.82 1b4q h GLN 89 CO 0.10 -0.71 -0.01 -0.56 -2.65 0.00 0.00 178.83 174.99 1b4q h GLN 90 N -1.14 0.00 0.16 1.69 3.07 -1.35 -2.02 115.11 115.51 1b4q h GLN 90 Ca -0.11 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.41 1b4q h GLN 90 Cb 0.86 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.44 1b4q h GLN 90 CO 0.19 0.01 -0.92 0.77 0.09 0.00 0.00 178.83 178.97 1b4q h SER 91 N 0.00 0.54 0.00 0.06 0.02 -1.08 -3.48 113.55 109.60 1b4q h SER 91 Ca -0.00 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 1b4q h SER 91 Cb 0.04 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1b4q h SER 91 CO 0.00 1.45 0.00 0.61 -1.14 0.00 0.00 176.83 177.75 1b4q n GLY 92 N 1.67 0.80 0.22 -3.77 0.00 0.26 -4.94 105.19 99.44 1b4q n GLY 92 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 1.86 0.00 0.50 1.61 4.57 -1.75 -3.08 114.58 118.29 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 -0.28 1.25 -1.18 0.00 0.00 179.01 179.06 1b4q h LEU 94 N 0.00 -0.71 -1.92 1.64 5.85 -1.83 -0.67 115.31 117.67 1b4q h LEU 94 Ca -0.00 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.94 1b4q h LEU 94 Cb 0.63 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 1b4q h LEU 94 CO 0.03 -0.45 0.50 0.17 -0.34 0.00 0.00 178.44 178.35 1b4q h LEU 95 N -0.73 0.07 -0.47 2.25 8.10 -1.85 0.46 115.31 123.15 1b4q h LEU 95 Ca -0.07 0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.90 1b4q h LEU 95 Cb 0.57 -0.01 -0.02 0.00 -0.44 0.00 0.00 40.66 40.76 1b4q h LEU 95 CO 0.08 0.03 0.18 0.74 -4.11 0.00 0.00 178.44 175.37 1b4q h THR 96 N 0.07 1.21 -0.51 0.15 2.02 -1.32 0.36 112.91 114.89 1b4q h THR 96 Ca 0.34 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1b4q h THR 96 Cb 1.24 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 1b4q h THR 96 CO -0.03 0.24 0.26 -0.09 0.37 0.00 0.00 175.52 176.28 1b4q h ARG 97 N 0.62 0.70 -0.30 6.66 9.65 0.14 -0.59 114.38 131.27 1b4q h ARG 97 Ca 0.16 -0.07 -0.17 0.00 -1.10 0.00 0.00 59.98 58.79 1b4q h ARG 97 Cb 0.20 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1b4q h ARG 97 CO -0.01 0.53 -0.48 -0.07 2.80 0.00 0.00 179.97 182.74 1b4q h LEU 98 N 0.71 0.89 0.28 3.80 4.07 -0.48 -3.30 115.31 121.28 1b4q h LEU 98 Ca 0.18 -0.45 -0.01 0.00 0.08 0.00 0.00 57.88 57.68 1b4q h LEU 98 Cb 0.04 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.53 1b4q h LEU 98 CO -0.03 1.22 -0.13 0.50 -1.08 0.00 0.00 178.44 178.92 1b4q h LYS 99 N 0.65 -0.36 -1.13 1.13 3.11 0.85 0.87 116.57 121.67 1b4q h LYS 99 Ca 0.03 0.02 0.32 0.00 -2.81 0.00 0.00 60.65 58.22 1b4q h LYS 99 Cb 1.07 0.08 -0.06 0.00 -1.00 0.00 0.00 32.23 32.31 1b4q h LYS 99 CO 0.11 -0.07 0.79 -0.56 -2.81 0.00 0.00 179.45 176.90 1b4q h GLN 100 N -0.65 0.12 0.00 1.90 3.07 -1.24 0.22 115.11 118.52 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 0.46 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1b4q h GLN 100 CO 0.06 0.08 -1.25 0.44 0.09 0.00 0.00 178.83 178.25 1b4q n ILE 101 N -4.34 0.00 -2.29 1.86 -5.35 -1.16 -5.00 119.36 103.08 1b4q n ILE 101 Ca 0.26 -0.23 -0.01 0.00 -0.27 0.00 0.00 62.75 62.49 1b4q n ILE 101 Cb 1.13 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 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 1.45 0.62 0.03 3.28 0.00 0.24 -4.69 105.19 106.11 1b4q n GLY 102 Ca 0.00 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.83 2.90 -2.81 4.61 0.00 0.22 -4.87 120.51 118.72 1b4q n ALA 103 Ca -0.01 -0.21 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 1b4q n ALA 103 Cb 0.51 -1.27 0.07 0.00 0.00 0.00 0.00 19.45 18.76 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 -1.75 0.00 -0.01 0.00 -0.00 -1.26 -3.06 117.00 110.93 1b4q n LEU 104 Ca 0.05 -1.88 0.16 0.00 -0.00 0.00 0.00 56.01 54.34 1b4q n LEU 104 Cb 0.37 -0.43 0.95 0.00 -0.00 0.00 0.00 43.42 44.31 1b4q n LEU 104 CO 0.33 -0.77 1.11 0.00 -0.00 0.00 0.00 177.39 178.05