#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4q h GLN 2 N 0.00 0.75 -0.72 0.00 3.07 -1.97 -0.25 115.11 115.98 1b4q h GLN 2 Ca 0.00 -0.04 -0.03 0.00 0.09 0.00 0.00 58.65 58.67 1b4q h GLN 2 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 27.48 27.36 1b4q h GLN 2 CO 0.00 0.49 0.34 1.05 0.09 0.00 0.00 178.83 180.80 1b4q h GLU 3 N 0.77 1.02 0.63 0.06 4.11 -2.03 0.91 114.58 120.06 1b4q h GLU 3 Ca 0.34 -0.14 -0.03 0.00 0.07 0.00 0.00 59.36 59.59 1b4q h GLU 3 Cb 0.22 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.29 1b4q h GLU 3 CO -0.19 0.79 -0.30 0.74 0.07 0.00 0.00 179.01 180.11 1b4q h PHE 4 N 1.02 -0.79 -0.17 2.06 -1.00 -1.55 -2.38 116.94 114.13 1b4q h PHE 4 Ca 0.25 -0.02 -0.22 0.00 2.81 0.00 0.00 57.97 60.79 1b4q h PHE 4 Cb 0.11 0.26 0.01 0.00 3.61 0.00 0.00 35.95 39.94 1b4q h PHE 4 CO 0.01 -0.46 -0.75 -0.39 -1.61 0.00 0.00 178.31 175.11 1b4q h VAL 5 N -0.94 1.28 -0.59 -0.55 -1.51 -1.06 -3.15 116.25 109.72 1b4q h VAL 5 Ca -0.09 -1.94 0.08 0.00 -1.23 0.00 0.00 66.70 63.51 1b4q h VAL 5 Cb 0.68 1.93 -0.04 0.00 -2.13 0.00 0.00 31.29 31.74 1b4q h VAL 5 CO 0.14 0.62 0.39 0.78 -1.23 0.00 0.00 177.57 178.27 1b4q h ASN 6 N 0.55 0.44 0.96 4.19 -0.26 0.83 0.36 115.58 122.66 1b4q h ASN 6 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.70 1b4q h ASN 6 Cb 1.37 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 1b4q h ASN 6 CO 0.15 0.28 0.00 -1.20 -1.06 0.00 0.00 177.43 175.61 1b4q n SER 7 N -4.48 0.56 -0.12 5.81 7.64 -0.90 -3.75 113.62 118.39 1b4q n SER 7 Ca 0.09 0.60 -0.23 0.00 1.01 0.00 0.00 58.87 60.34 1b4q n SER 7 Cb 0.29 -0.73 -0.09 0.00 -1.01 0.00 0.00 64.21 62.67 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 -2.07 0.56 -2.70 1.43 5.02 0.11 -4.89 118.16 115.61 1b4q n LYS 8 Ca 0.04 0.34 -0.42 0.00 -2.02 0.00 0.00 58.31 56.25 1b4q n LYS 8 Cb 0.30 -1.55 -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 -2.52 4.81 0.05 -0.18 -4.36 -0.07 -4.91 121.20 114.00 1b4q s ILE 9 Ca -0.33 2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 61.96 1b4q s ILE 9 Cb 0.10 -4.31 0.02 0.00 1.25 0.00 0.00 42.46 39.52 1b4q s ILE 9 CO 0.48 0.04 0.27 0.00 0.24 0.00 0.00 174.94 175.97 1b4q s GLN 10 N 1.81 0.79 0.20 0.37 -2.07 -1.26 -4.78 119.66 114.73 1b4q s GLN 10 Ca 0.49 -0.57 -0.33 0.00 -1.82 0.00 0.00 55.36 53.13 1b4q s GLN 10 Cb -0.19 0.34 -0.14 0.00 -1.09 0.00 0.00 33.01 31.94 1b4q s GLN 10 CO 0.20 -0.25 1.50 -2.30 -1.32 0.00 0.00 175.29 173.12 1b4q n PRO 11 N 0.53 2.12 -1.29 9.60 -0.02 -1.26 -1.99 135.00 142.70 1b4q n PRO 11 Ca -0.18 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.05 1b4q n PRO 11 Cb 0.60 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 2.79 0.40 2.93 -1.23 0.00 -1.26 -4.99 105.19 103.83 1b4q n GLY 12 Ca 0.14 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1b4q n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b4q s LYS 13 N -2.59 0.09 -0.15 1.61 2.20 -0.84 -4.79 119.74 115.27 1b4q s LYS 13 Ca 0.00 0.23 -0.08 0.00 -0.36 0.00 0.00 55.97 55.77 1b4q s LYS 13 Cb 0.00 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.21 1b4q s LYS 13 CO 0.00 -0.09 0.11 0.08 -0.36 0.00 0.00 175.35 175.09 1b4q s VAL 14 N 0.59 5.27 -0.00 4.02 1.01 -0.57 -1.18 120.40 129.54 1b4q s VAL 14 Ca -0.04 0.13 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 1b4q s VAL 14 Cb -0.06 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 1b4q s VAL 14 CO -0.03 0.54 0.01 0.54 0.00 0.00 0.00 175.10 176.16 1b4q s VAL 15 N -0.38 0.02 -0.12 2.92 0.11 -1.20 -2.92 120.40 118.83 1b4q s VAL 15 Ca 0.11 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.01 1b4q s VAL 15 Cb -0.12 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.68 1b4q s VAL 15 CO 0.01 -0.09 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.84 1b4q s VAL 16 N -0.26 1.61 -0.27 2.04 1.01 -1.12 -1.98 120.40 121.42 1b4q s VAL 16 Ca -0.03 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1b4q s VAL 16 Cb -0.02 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1b4q s VAL 16 CO -0.00 0.46 0.59 -0.36 0.00 0.00 0.00 175.10 175.79 1b4q s PHE 17 N 1.02 3.25 0.22 5.22 0.40 -1.01 0.15 117.98 127.24 1b4q s PHE 17 Ca -0.05 0.67 0.02 0.00 -0.60 0.00 0.00 56.93 56.97 1b4q s PHE 17 Cb -0.15 -2.85 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 1b4q s PHE 17 CO -0.03 -0.36 0.08 0.44 0.70 0.00 0.00 175.22 176.04 1b4q n ILE 18 N 5.25 0.00 -3.36 0.64 -5.35 -0.23 -2.33 119.36 113.99 1b4q n ILE 18 Ca -0.02 -1.26 -0.20 0.00 -0.27 0.00 0.00 62.75 61.00 1b4q n ILE 18 Cb 0.49 0.45 -0.08 0.00 -1.74 0.00 0.00 39.64 38.75 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 -2.83 0.67 0.00 6.28 1.02 -1.26 -2.70 119.74 120.92 1b4q s LYS 19 Ca 0.11 -1.10 -0.10 0.00 0.02 0.00 0.00 55.97 54.90 1b4q s LYS 19 Cb 0.01 -0.88 -0.12 0.00 -0.52 0.00 0.00 37.83 36.32 1b4q s LYS 19 CO 0.08 -1.23 0.83 -2.30 -0.92 0.00 0.00 175.35 171.81 1b4q n PRO 20 N 3.99 0.00 0.00 -1.68 -0.02 -1.26 -1.78 135.00 134.25 1b4q n PRO 20 Ca 0.14 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 1b4q n PRO 20 Cb 0.44 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1b4q n PRO 20 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1b4q n THR 21 N 4.58 0.00 -3.62 3.45 -2.24 -1.26 -5.10 114.28 110.09 1b4q n THR 21 Ca 0.15 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.57 1b4q n THR 21 Cb 0.28 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.44 1b4q n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b4q h PRO 23 N 6.85 0.00 -0.30 0.00 0.11 -1.99 -1.53 132.00 135.14 1b4q h PRO 23 Ca -0.40 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.55 1b4q h PRO 23 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1b4q h PRO 23 CO 0.74 0.00 -0.44 1.88 -0.21 0.00 0.00 178.00 179.97 1b4q h TYR 24 N 0.00 1.03 -0.42 0.65 -1.99 -1.93 0.24 116.97 114.55 1b4q h TYR 24 Ca 0.00 -0.34 -0.08 0.00 2.00 0.00 0.00 58.73 60.31 1b4q h TYR 24 Cb 0.21 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 1b4q h TYR 24 CO 0.00 1.15 -0.07 0.77 -0.00 0.00 0.00 178.16 180.01 1b4q h SER 25 N 0.61 0.70 -0.31 3.88 0.02 -1.48 -1.92 113.55 115.04 1b4q h SER 25 Ca 0.03 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1b4q h SER 25 Cb 1.04 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1b4q h SER 25 CO 0.10 0.81 -0.03 -0.09 -1.14 0.00 0.00 176.83 176.48 1b4q h ARG 26 N 0.66 0.68 -0.12 3.45 9.65 -1.25 -2.83 114.38 124.63 1b4q h ARG 26 Ca 0.12 -0.18 0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1b4q h ARG 26 Cb 0.51 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.98 1b4q h ARG 26 CO 0.03 0.72 -0.07 0.00 2.80 0.00 0.00 179.97 183.45 1b4q h ARG 27 N 0.64 -0.07 -0.59 0.20 -0.00 -0.14 0.87 114.38 115.30 1b4q h ARG 27 Ca 0.13 0.00 0.08 0.00 -0.50 0.00 0.00 59.98 59.69 1b4q h ARG 27 Cb 0.45 0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.40 1b4q h ARG 27 CO 0.02 -0.05 0.39 0.00 0.00 0.00 0.00 179.97 180.34 1b4q h ALA 28 N 1.03 1.94 -0.25 0.04 0.00 -1.32 0.13 119.26 120.83 1b4q h ALA 28 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1b4q h ALA 28 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1b4q h ALA 28 CO -0.16 -0.06 -0.46 1.96 0.00 0.00 0.00 179.25 180.53 1b4q h GLN 29 N 0.47 0.64 -0.28 0.00 4.20 -0.93 -2.45 115.11 116.76 1b4q h GLN 29 Ca 0.27 -0.36 -0.19 0.00 0.06 0.00 0.00 58.65 58.43 1b4q h GLN 29 Cb 0.43 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1b4q h GLN 29 CO -0.08 0.97 -0.56 0.93 -0.67 0.00 0.00 178.83 179.42 1b4q h GLU 30 N 0.51 0.86 0.06 1.46 4.39 0.15 -2.82 114.58 119.20 1b4q h GLU 30 Ca 0.03 -0.55 -0.00 0.00 0.34 0.00 0.00 59.36 59.18 1b4q h GLU 30 Cb 1.00 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1b4q h GLU 30 CO 0.09 1.19 -0.03 0.97 -1.16 0.00 0.00 179.01 180.07 1b4q h ILE 31 N 0.65 0.00 -0.20 3.13 6.09 -0.92 -3.30 117.51 122.97 1b4q h ILE 31 Ca 0.01 -0.38 0.06 0.00 -1.37 0.00 0.00 64.86 63.18 1b4q h ILE 31 Cb 1.17 0.00 -0.01 0.00 0.47 0.00 0.00 36.82 38.45 1b4q h ILE 31 CO 0.12 0.00 0.40 -0.07 -3.07 0.00 0.00 178.15 175.54 1b4q h LEU 32 N -0.46 0.00 -1.59 2.19 3.38 -1.61 0.72 115.31 117.93 1b4q h LEU 32 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1b4q h LEU 32 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1b4q h LEU 32 CO 0.01 0.00 -0.20 0.77 0.09 0.00 0.00 178.44 179.11 1b4q h SER 33 N 0.00 0.00 -0.22 -0.43 4.64 -1.57 -1.80 113.55 114.17 1b4q h SER 33 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1b4q h SER 33 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1b4q h SER 33 CO -0.00 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.16 1b4q n GLN 34 N -3.74 1.99 -3.26 4.77 1.13 0.25 -4.88 117.38 113.64 1b4q n GLN 34 Ca -0.01 -1.49 -0.38 0.00 -1.94 0.00 0.00 57.00 53.17 1b4q n GLN 34 Cb 0.31 -1.44 -0.06 0.00 0.11 0.00 0.00 30.24 29.17 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 -1.59 4.32 -0.51 1.08 1.43 -0.68 -4.94 118.68 117.80 1b4q s LEU 35 Ca 0.34 0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 54.21 1b4q s LEU 35 Cb 0.19 -2.80 -0.17 0.00 0.03 0.00 0.00 46.19 43.44 1b4q s LEU 35 CO 0.28 0.02 1.76 -0.81 0.23 0.00 0.00 176.35 177.83 1b4q n PRO 36 N 3.42 1.05 -2.62 1.29 -0.04 -1.26 -4.89 135.00 131.94 1b4q n PRO 36 Ca -0.06 -1.38 -0.32 0.00 -0.04 0.00 0.00 63.50 61.70 1b4q n PRO 36 Cb 0.51 -2.60 -0.04 0.00 -0.04 0.00 0.00 33.50 31.33 1b4q n PRO 36 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1b4q s ILE 37 N 5.18 4.57 0.00 0.52 -1.09 -1.26 -2.67 121.20 126.45 1b4q s ILE 37 Ca 0.49 1.13 0.00 0.00 -2.23 0.00 0.00 60.65 60.04 1b4q s ILE 37 Cb 0.12 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1b4q s ILE 37 CO 0.13 -0.55 0.00 0.29 -1.23 0.00 0.00 174.94 173.58 1b4q n LYS 38 N -1.26 -0.43 0.00 2.79 4.76 -1.11 -4.79 118.16 118.11 1b4q n LYS 38 Ca 0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1b4q n LYS 38 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1b4q n LYS 38 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1b4q n GLN 39 N -1.19 1.39 -0.35 1.97 6.02 -1.26 -3.95 117.38 120.02 1b4q n GLN 39 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 1b4q n GLN 39 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 1.99 0.01 1.08 0.00 -1.26 -3.86 105.19 103.15 1b4q n GLY 40 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 3.63 0.23 -4.59 0.99 7.94 -1.25 -4.88 117.00 119.06 1b4q n LEU 41 Ca 0.18 -0.12 -0.34 0.00 -1.11 0.00 0.00 56.01 54.62 1b4q n LEU 41 Cb 0.18 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.03 1b4q n LEU 41 CO 0.39 0.06 -0.29 -0.22 -1.11 0.00 0.00 177.39 176.22 1b4q s LEU 42 N -4.14 3.63 0.26 -1.96 2.96 -1.25 -1.51 118.68 116.66 1b4q s LEU 42 Ca -0.04 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1b4q s LEU 42 Cb 0.14 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1b4q s LEU 42 CO 0.88 0.18 0.18 -0.70 -1.32 0.00 0.00 176.35 175.58 1b4q s GLU 43 N 0.31 1.43 -0.18 1.98 2.12 -1.15 -5.04 118.70 118.17 1b4q s GLU 43 Ca 0.01 -1.79 -0.03 0.00 0.36 0.00 0.00 54.97 53.52 1b4q s GLU 43 Cb -0.13 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.55 1b4q s GLU 43 CO 0.01 -0.48 0.03 -0.06 -0.54 0.00 0.00 175.26 174.22 1b4q s PHE 44 N -3.85 1.01 -0.51 5.30 0.08 -1.26 -2.79 117.98 115.95 1b4q s PHE 44 Ca 0.39 -0.81 -0.18 0.00 0.12 0.00 0.00 56.93 56.45 1b4q s PHE 44 Cb 0.05 -1.01 0.07 0.00 -0.57 0.00 0.00 43.02 41.56 1b4q s PHE 44 CO 0.18 -0.59 0.56 0.08 -0.10 0.00 0.00 175.22 175.35 1b4q s VAL 45 N 1.86 4.99 -0.65 -0.44 1.01 0.40 -4.93 120.40 122.65 1b4q s VAL 45 Ca -0.00 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 1b4q s VAL 45 Cb -0.17 -4.27 0.03 0.00 0.00 0.00 0.00 36.38 31.98 1b4q s VAL 45 CO -0.08 -0.77 1.18 -1.81 0.00 0.00 0.00 175.10 173.62 1b4q s ASP 46 N 2.79 6.30 0.00 3.32 1.01 -1.26 -1.07 116.67 127.77 1b4q s ASP 46 Ca 0.11 -0.25 0.04 0.00 0.71 0.00 0.00 52.55 53.16 1b4q s ASP 46 Cb -0.22 -2.53 0.20 0.00 1.01 0.00 0.00 42.92 41.38 1b4q s ASP 46 CO 0.09 -1.59 0.86 2.30 0.21 0.00 0.00 175.17 177.04 1b4q n ILE 47 N 6.45 0.68 0.45 0.77 -5.35 -1.10 -0.97 119.36 120.29 1b4q n ILE 47 Ca 0.05 0.17 0.11 0.00 -0.27 0.00 0.00 62.75 62.81 1b4q n ILE 47 Cb 0.49 -1.11 0.01 0.00 -1.74 0.00 0.00 39.64 37.28 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 -1.19 0.23 1.64 7.28 5.66 -1.26 -3.27 114.28 123.36 1b4q n THR 48 Ca 0.02 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1b4q n THR 48 Cb 0.02 0.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.90 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 -1.91 2.35 -0.02 1.79 0.00 -0.14 -3.34 120.51 119.23 1b4q n ALA 49 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1b4q n ALA 49 Cb 0.46 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.91 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 -0.45 0.00 -3.05 0.00 5.66 -1.25 -5.11 114.28 110.08 1b4q n THR 50 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1b4q n THR 50 Cb 0.02 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 0.00 -1.88 1.09 3.02 -1.20 -4.91 115.26 111.37 1b4q n ASN 51 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 1b4q n ASN 51 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.02 -0.61 -0.30 3.10 8.25 -1.26 -4.82 115.22 119.56 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 0.00 -3.19 0.05 0.00 1.12 0.00 0.00 29.99 27.97 1b4q n HIS 52 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1b4q h THR 53 N 0.00 0.10 -0.86 1.59 1.35 -1.92 0.60 112.91 113.77 1b4q h THR 53 Ca -0.37 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 65.68 1b4q h THR 53 Cb 1.19 0.10 -0.06 0.00 -1.73 0.00 0.00 68.15 67.65 1b4q h THR 53 CO 0.50 0.00 0.57 0.78 -0.25 0.00 0.00 175.52 177.12 1b4q h ASN 54 N -0.06 0.40 -0.35 5.36 4.21 -1.94 0.82 115.58 124.03 1b4q h ASN 54 Ca 0.33 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 57.84 1b4q h ASN 54 Cb 0.59 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 1b4q h ASN 54 CO -0.85 0.17 0.08 -0.33 -1.29 0.00 0.00 177.43 175.21 1b4q h GLU 55 N 0.41 0.56 0.04 0.81 5.08 -0.15 0.48 114.58 121.82 1b4q h GLU 55 Ca 0.44 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1b4q h GLU 55 Cb 1.09 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1b4q h GLU 55 CO -0.16 0.62 -0.02 0.82 -1.00 0.00 0.00 179.01 179.27 1b4q h ILE 56 N 0.41 1.28 -0.97 3.13 5.03 -0.74 -1.77 117.51 123.87 1b4q h ILE 56 Ca 0.11 -1.06 0.06 0.00 -0.12 0.00 0.00 64.86 63.84 1b4q h ILE 56 Cb 0.31 1.98 -0.06 0.00 -3.03 0.00 0.00 36.82 36.02 1b4q h ILE 56 CO 0.00 0.27 0.63 1.56 -0.68 0.00 0.00 178.15 179.93 1b4q h GLN 57 N -0.52 1.12 -0.53 2.37 4.20 -0.90 0.82 115.11 121.67 1b4q h GLN 57 Ca -0.01 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 58.74 1b4q h GLN 57 Cb 0.48 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 1b4q h GLN 57 CO 0.01 0.74 0.36 -0.44 -0.67 0.00 0.00 178.83 178.83 1b4q h ASP 58 N 1.15 0.26 0.03 1.46 5.19 0.15 0.36 116.42 125.02 1b4q h ASP 58 Ca 0.41 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1b4q h ASP 58 Cb 0.14 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.60 1b4q h ASP 58 CO -0.15 0.15 -0.01 0.22 -3.12 0.00 0.00 179.24 176.33 1b4q h TYR 59 N 0.29 -0.04 -0.67 4.55 3.20 0.14 -2.80 116.97 121.64 1b4q h TYR 59 Ca 0.25 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.28 1b4q h TYR 59 Cb 0.60 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1b4q h TYR 59 CO -0.00 0.66 0.46 -0.07 -1.64 0.00 0.00 178.16 177.57 1b4q h LEU 60 N -0.85 0.19 0.56 2.82 3.38 0.42 -0.49 115.31 121.34 1b4q h LEU 60 Ca -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1b4q h LEU 60 Cb 0.71 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.44 1b4q h LEU 60 CO 0.01 0.10 -0.27 -0.61 0.09 0.00 0.00 178.44 177.76 1b4q h GLN 61 N 0.20 -0.72 0.39 1.13 5.75 -0.27 -0.39 115.11 121.20 1b4q h GLN 61 Ca 0.32 0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.85 1b4q h GLN 61 Cb 0.99 0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1b4q h GLN 61 CO -0.06 -0.43 -0.19 0.37 -2.65 0.00 0.00 178.83 175.88 1b4q h GLN 62 N -0.91 -0.51 -0.13 1.69 -0.00 -1.00 1.27 115.11 115.52 1b4q h GLN 62 Ca -0.08 0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.57 1b4q h GLN 62 Cb 0.63 0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.22 1b4q h GLN 62 CO 0.13 -0.20 -0.09 1.25 0.00 0.00 0.00 178.83 179.92 1b4q h LEU 63 N -0.84 0.17 0.00 -2.39 6.46 -1.24 -3.37 115.31 114.10 1b4q h LEU 63 Ca -0.05 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1b4q h LEU 63 Cb 0.54 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1b4q h LEU 63 CO 0.09 0.29 -0.34 0.35 -0.62 0.00 0.00 178.44 178.21 1b4q n THR 64 N -4.33 0.92 0.00 1.05 -2.24 -0.21 -5.02 114.28 104.44 1b4q n THR 64 Ca -0.01 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1b4q n THR 64 Cb 0.22 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 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 2.48 4.21 3.85 3.38 0.00 0.44 -4.99 105.19 114.55 1b4q n GLY 65 Ca -0.05 -0.68 -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 3.80 -0.30 4.61 0.00 -1.26 -4.71 121.76 123.90 1b4q s ALA 66 Ca 0.00 -0.53 0.10 0.00 0.00 0.00 0.00 51.96 51.53 1b4q s ALA 66 Cb 0.00 -2.12 0.59 0.00 0.00 0.00 0.00 23.12 21.59 1b4q s ALA 66 CO 0.00 0.51 1.61 2.89 0.00 0.00 0.00 175.76 180.77 1b4q n ARG 67 N 2.18 2.55 -1.96 0.00 1.85 -1.26 -4.07 116.66 115.95 1b4q n ARG 67 Ca -0.18 -3.06 -0.29 0.00 -1.00 0.00 0.00 57.85 53.32 1b4q n ARG 67 Cb 0.54 -1.97 0.13 0.00 -1.05 0.00 0.00 32.46 30.10 1b4q n ARG 67 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1b4q s THR 68 N -3.11 2.03 -0.05 8.89 2.01 -1.26 -5.00 115.64 119.14 1b4q s THR 68 Ca 0.48 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.50 1b4q s THR 68 Cb 0.41 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.92 1b4q s THR 68 CO 0.07 0.00 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.09 1b4q s VAL 69 N -3.66 2.43 0.00 3.82 1.01 -1.26 -4.27 120.40 118.47 1b4q s VAL 69 Ca 0.67 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1b4q s VAL 69 Cb -0.08 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1b4q s VAL 69 CO 0.50 0.58 0.00 -0.81 0.00 0.00 0.00 175.10 175.37 1b4q n PRO 70 N 2.66 0.76 -3.37 2.72 -0.04 -1.26 -4.37 135.00 132.10 1b4q n PRO 70 Ca -0.17 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.14 1b4q n PRO 70 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.89 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 -1.28 0.41 0.54 0.54 6.06 -0.98 -4.12 118.95 120.11 1b4q s ARG 71 Ca 0.00 -0.23 -0.08 0.00 -2.50 0.00 0.00 55.73 52.93 1b4q s ARG 71 Cb 0.00 -0.59 -0.04 0.00 0.06 0.00 0.00 34.95 34.38 1b4q s ARG 71 CO 0.00 -1.07 0.89 0.08 -2.50 0.00 0.00 175.30 172.70 1b4q s VAL 72 N 2.22 4.82 -0.33 7.11 1.01 -0.74 -2.39 120.40 132.10 1b4q s VAL 72 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1b4q s VAL 72 Cb -0.14 -3.86 0.14 0.00 0.00 0.00 0.00 36.38 32.52 1b4q s VAL 72 CO -0.27 -0.97 0.29 -0.36 0.00 0.00 0.00 175.10 173.79 1b4q s PHE 73 N -2.92 -0.10 -0.50 5.22 0.40 -0.84 -3.58 117.98 115.65 1b4q s PHE 73 Ca 0.51 -0.74 -0.28 0.00 -0.60 0.00 0.00 56.93 55.82 1b4q s PHE 73 Cb -0.11 -0.57 -0.00 0.00 0.51 0.00 0.00 43.02 42.85 1b4q s PHE 73 CO 0.48 -0.91 1.60 0.42 0.70 0.00 0.00 175.22 177.51 1b4q s ILE 74 N 1.78 3.64 0.00 0.64 -1.09 -0.38 -3.27 121.20 122.52 1b4q s ILE 74 Ca 0.13 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.11 1b4q s ILE 74 Cb -0.16 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1b4q s ILE 74 CO -0.17 -0.90 0.00 0.61 -1.23 0.00 0.00 174.94 173.25 1b4q n GLY 75 N 5.37 1.40 0.24 6.18 0.00 -0.33 -0.84 105.19 117.21 1b4q n GLY 75 Ca 0.17 -0.59 0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 3.80 1.32 -3.02 1.61 5.02 -1.26 -4.48 118.16 121.15 1b4q n LYS 76 Ca 0.00 -0.48 -0.43 0.00 -2.02 0.00 0.00 58.31 55.38 1b4q n LYS 76 Cb 0.00 -1.37 -0.06 0.00 -0.02 0.00 0.00 35.03 33.59 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 -1.66 6.35 0.39 4.39 1.01 -0.02 -5.04 116.67 122.09 1b4q s ASP 77 Ca 0.32 -0.30 -0.25 0.00 0.71 0.00 0.00 52.55 53.04 1b4q s ASP 77 Cb 0.16 -2.36 -0.09 0.00 1.01 0.00 0.00 42.92 41.64 1b4q s ASP 77 CO 0.26 -0.90 1.08 -0.55 0.21 0.00 0.00 175.17 175.26 1b4q s SER 78 N 2.23 6.73 -0.02 0.27 0.15 -1.26 -1.25 113.70 120.54 1b4q s SER 78 Ca 0.26 2.13 0.07 0.00 0.70 0.00 0.00 55.95 59.10 1b4q s SER 78 Cb -0.14 -2.59 -0.11 0.00 -1.71 0.00 0.00 66.02 61.47 1b4q s SER 78 CO 0.20 -0.52 0.13 2.30 1.20 0.00 0.00 173.24 176.55 1b4q n ILE 79 N 0.05 0.10 0.00 6.45 -5.35 -1.23 -4.89 119.36 114.48 1b4q n ILE 79 Ca 0.04 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1b4q n ILE 79 Cb 0.49 0.08 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 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 2.20 0.72 0.00 3.28 0.00 -1.26 -4.71 105.19 105.42 1b4q n GLY 80 Ca -0.03 -1.84 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 2.09 0.10 -0.02 0.00 -1.26 -1.79 105.19 104.31 1b4q n GLY 81 Ca 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.19 -0.37 1.61 0.87 -1.81 -1.93 113.55 111.73 1b4q h SER 82 Ca 0.00 0.01 0.11 0.00 -1.23 0.00 0.00 61.79 60.68 1b4q h SER 82 Cb 0.00 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1b4q h SER 82 CO 0.00 -0.02 0.50 -1.28 -0.53 0.00 0.00 176.83 175.50 1b4q h SER 83 N -0.45 0.00 -0.01 6.23 0.87 -1.95 0.83 113.55 119.06 1b4q h SER 83 Ca -0.02 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 1b4q h SER 83 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1b4q h SER 83 CO 0.04 0.00 -0.19 0.44 -0.53 0.00 0.00 176.83 176.58 1b4q h ASP 84 N 0.00 0.19 0.43 6.23 5.19 -1.90 -3.14 116.42 123.41 1b4q h ASP 84 Ca 0.18 -0.74 -0.01 0.00 -0.62 0.00 0.00 57.03 55.84 1b4q h ASP 84 Cb 1.18 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.60 1b4q h ASP 84 CO -0.00 0.90 -0.46 0.25 -3.12 0.00 0.00 179.24 176.81 1b4q h LEU 85 N -0.50 -1.27 -0.65 1.55 6.46 -0.01 -2.78 115.31 118.11 1b4q h LEU 85 Ca -0.02 0.11 0.14 0.00 -0.12 0.00 0.00 57.88 57.98 1b4q h LEU 85 Cb 0.92 0.43 -0.11 0.00 -0.73 0.00 0.00 40.66 41.17 1b4q h LEU 85 CO 0.04 -0.61 0.02 -0.37 -0.62 0.00 0.00 178.44 176.90 1b4q h VAL 86 N -0.91 0.47 -0.85 1.05 -1.51 -1.60 0.19 116.25 113.10 1b4q h VAL 86 Ca -0.04 -0.05 0.18 0.00 -1.23 0.00 0.00 66.70 65.56 1b4q h VAL 86 Cb 0.81 0.33 -0.11 0.00 -2.13 0.00 0.00 31.29 30.18 1b4q h VAL 86 CO -0.08 0.02 0.37 -1.28 -1.23 0.00 0.00 177.57 175.36 1b4q h SER 87 N 0.13 0.33 -0.17 4.19 0.87 -1.44 -1.30 113.55 116.16 1b4q h SER 87 Ca 0.35 0.13 -0.19 0.00 -1.23 0.00 0.00 61.79 60.85 1b4q h SER 87 Cb 0.57 0.10 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1b4q h SER 87 CO -0.55 0.07 -0.64 -0.07 -0.53 0.00 0.00 176.83 175.11 1b4q h LEU 88 N 0.45 0.86 0.68 2.23 3.38 -0.53 -2.88 115.31 119.50 1b4q h LEU 88 Ca 0.50 -0.61 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1b4q h LEU 88 Cb 0.85 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1b4q h LEU 88 CO -0.47 1.32 -0.36 -0.61 0.09 0.00 0.00 178.44 178.42 1b4q h GLN 89 N 0.45 -0.93 0.00 1.13 -0.00 0.03 0.34 115.11 116.14 1b4q h GLN 89 Ca -0.03 0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.67 1b4q h GLN 89 Cb 1.27 0.21 -0.00 0.00 0.00 0.00 0.00 27.48 28.96 1b4q h GLN 89 CO 0.14 -0.62 -0.05 -0.56 0.00 0.00 0.00 178.83 177.74 1b4q h GLN 90 N -0.96 0.00 0.00 1.69 3.07 -1.55 -0.11 115.11 117.25 1b4q h GLN 90 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.65 1b4q h GLN 90 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.31 1b4q h GLN 90 CO 0.13 0.05 -0.25 0.77 0.09 0.00 0.00 178.83 179.63 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -1.15 -3.47 113.55 109.01 1b4q h SER 91 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1b4q h SER 91 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1b4q h SER 91 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1b4q n GLY 92 N 1.15 2.13 0.23 -3.77 0.00 0.11 -4.85 105.19 100.20 1b4q n GLY 92 Ca 0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 2.55 0.00 0.61 1.61 4.81 -1.69 -3.11 114.58 119.36 1b4q h GLU 93 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1b4q h GLU 93 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 1b4q h GLU 93 CO 0.00 0.21 -0.29 1.25 -0.73 0.00 0.00 179.01 179.44 1b4q h LEU 94 N 0.00 -0.70 -1.95 1.64 5.85 -1.76 -2.38 115.31 116.00 1b4q h LEU 94 Ca -0.00 0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.91 1b4q h LEU 94 Cb 0.54 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1b4q h LEU 94 CO 0.03 -0.49 0.52 0.17 -0.34 0.00 0.00 178.44 178.33 1b4q h LEU 95 N -0.84 0.00 -0.16 2.25 8.10 -1.84 0.20 115.31 123.03 1b4q h LEU 95 Ca -0.08 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.90 1b4q h LEU 95 Cb 0.63 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 1b4q h LEU 95 CO 0.14 0.00 0.07 0.74 -4.11 0.00 0.00 178.44 175.28 1b4q h THR 96 N 0.00 1.14 -0.29 0.15 2.02 -1.37 0.36 112.91 114.92 1b4q h THR 96 Ca 0.27 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1b4q h THR 96 Cb 1.31 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 1b4q h THR 96 CO -0.00 0.13 0.17 0.03 0.37 0.00 0.00 175.52 176.21 1b4q h ARG 97 N 0.12 0.38 -0.24 6.66 2.47 -0.23 -1.01 114.38 122.54 1b4q h ARG 97 Ca 0.05 -0.03 -0.20 0.00 -1.26 0.00 0.00 59.98 58.55 1b4q h ARG 97 Cb 0.14 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1b4q h ARG 97 CO -0.01 0.27 -0.62 -0.07 0.56 0.00 0.00 179.97 180.11 1b4q h LEU 98 N 0.39 0.92 0.15 3.04 4.07 -0.97 -3.32 115.31 119.60 1b4q h LEU 98 Ca 0.10 -0.53 -0.01 0.00 0.08 0.00 0.00 57.88 57.53 1b4q h LEU 98 Cb -0.01 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.47 1b4q h LEU 98 CO -0.02 1.32 -0.07 0.50 -1.08 0.00 0.00 178.44 179.09 1b4q h LYS 99 N 0.60 -0.19 -1.13 1.13 3.64 0.94 0.97 116.57 122.53 1b4q h LYS 99 Ca -0.01 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.70 1b4q h LYS 99 Cb 1.23 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 1b4q h LYS 99 CO 0.13 0.10 0.76 -0.56 -2.27 0.00 0.00 179.45 177.61 1b4q h GLN 100 N -0.49 0.22 0.00 1.90 3.07 -1.39 0.42 115.11 118.84 1b4q h GLN 100 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1b4q h GLN 100 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1b4q h GLN 100 CO 0.03 0.14 -1.04 0.44 0.09 0.00 0.00 178.83 178.50 1b4q n ILE 101 N -4.48 0.00 -2.46 1.86 -5.35 -1.15 -4.99 119.36 102.78 1b4q n ILE 101 Ca 0.27 -0.10 -0.03 0.00 -0.27 0.00 0.00 62.75 62.62 1b4q n ILE 101 Cb 1.07 0.87 0.01 0.00 -1.74 0.00 0.00 39.64 39.85 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 1.44 0.63 0.11 3.28 0.00 0.17 -4.66 105.19 106.17 1b4q n GLY 102 Ca 0.03 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 0.11 0.67 -5.71 4.61 0.00 0.41 -3.47 119.26 115.90 1b4q h ALA 103 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 1b4q h ALA 103 Cb 1.04 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.87 1b4q h ALA 103 CO 0.06 0.00 -0.00 1.47 0.00 0.00 0.00 179.25 180.78 1b4q n LEU 104 N -2.45 0.00 0.00 0.00 -0.00 -1.25 -2.74 117.00 110.55 1b4q n LEU 104 Ca 0.03 -1.83 0.16 0.00 -0.00 0.00 0.00 56.01 54.36 1b4q n LEU 104 Cb 0.48 -0.39 0.93 0.00 -0.00 0.00 0.00 43.42 44.45 1b4q n LEU 104 CO 0.36 -0.74 1.10 0.00 -0.00 0.00 0.00 177.39 178.11