#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 -0.02 0.00 0.00 4.20 -2.00 -3.30 115.11 113.99 1b4q h GLN 2 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1b4q h GLN 2 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1b4q h GLN 2 CO 0.00 -0.01 0.00 0.39 -0.67 0.00 0.00 178.83 178.54 1b4q n GLU 3 N -3.00 0.12 0.00 1.46 1.02 -1.26 -1.94 120.64 117.04 1b4q n GLU 3 Ca -0.00 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.76 1b4q n GLU 3 Cb 0.01 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1b4q n GLU 3 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1b4q n PHE 4 N -2.18 0.00 0.04 -0.32 3.01 -1.24 -1.66 117.46 115.10 1b4q n PHE 4 Ca -0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.32 1b4q n PHE 4 Cb 0.03 -0.21 -0.02 0.00 -0.01 0.00 0.00 39.48 39.27 1b4q n PHE 4 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1b4q h VAL 5 N 0.00 1.36 -0.90 -4.37 -1.51 -1.68 -3.15 116.25 106.00 1b4q h VAL 5 Ca 0.00 -2.19 0.09 0.00 -1.23 0.00 0.00 66.70 63.37 1b4q h VAL 5 Cb 0.00 2.18 -0.06 0.00 -2.13 0.00 0.00 31.29 31.28 1b4q h VAL 5 CO 0.00 0.67 0.58 0.78 -1.23 0.00 0.00 177.57 178.37 1b4q h ASN 6 N 0.32 0.82 0.88 4.19 2.35 -1.52 0.35 115.58 122.97 1b4q h ASN 6 Ca -0.05 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1b4q h ASN 6 Cb 1.42 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.64 1b4q h ASN 6 CO 0.15 0.49 0.00 -1.20 -1.65 0.00 0.00 177.43 175.21 1b4q n SER 7 N -4.53 0.38 -0.12 5.81 7.64 -0.67 -3.65 113.62 118.50 1b4q n SER 7 Ca 0.15 0.57 -0.24 0.00 1.01 0.00 0.00 58.87 60.36 1b4q n SER 7 Cb 0.29 -0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 62.72 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 -1.89 0.63 -2.67 1.43 5.02 0.10 -4.90 118.16 115.87 1b4q n LYS 8 Ca 0.04 0.26 -0.42 0.00 -2.02 0.00 0.00 58.31 56.18 1b4q n LYS 8 Cb 0.28 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 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 4.71 0.07 -0.18 -4.36 0.01 -4.93 121.20 114.01 1b4q s ILE 9 Ca -0.34 1.98 -0.14 0.00 -0.26 0.00 0.00 60.65 61.89 1b4q s ILE 9 Cb 0.11 -4.27 0.02 0.00 1.25 0.00 0.00 42.46 39.57 1b4q s ILE 9 CO 0.57 0.18 0.32 0.00 0.24 0.00 0.00 174.94 176.25 1b4q s GLN 10 N 0.87 0.90 0.20 0.37 -2.07 -1.26 -4.86 119.66 113.81 1b4q s GLN 10 Ca 0.52 -0.63 -0.32 0.00 -1.82 0.00 0.00 55.36 53.11 1b4q s GLN 10 Cb -0.22 0.39 -0.13 0.00 -1.09 0.00 0.00 33.01 31.95 1b4q s GLN 10 CO 0.28 -0.31 1.58 -2.30 -1.32 0.00 0.00 175.29 173.23 1b4q n PRO 11 N 0.23 2.35 -1.21 9.60 -0.01 -1.26 -2.06 135.00 142.65 1b4q n PRO 11 Ca -0.17 0.85 -0.01 0.00 -0.01 0.00 0.00 63.50 64.15 1b4q n PRO 11 Cb 0.61 -2.61 -0.00 0.00 -0.01 0.00 0.00 33.50 31.48 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 3.15 0.45 2.80 -1.23 0.00 -1.26 -4.97 105.19 104.14 1b4q n GLY 12 Ca 0.15 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.46 -0.02 -0.17 1.61 2.20 -0.87 -4.73 119.74 115.30 1b4q s LYS 13 Ca 0.00 0.14 -0.09 0.00 -0.36 0.00 0.00 55.97 55.66 1b4q s LYS 13 Cb 0.00 -0.18 -0.05 0.00 -1.51 0.00 0.00 37.83 36.09 1b4q s LYS 13 CO 0.00 -0.12 0.14 0.08 -0.36 0.00 0.00 175.35 175.09 1b4q s VAL 14 N 0.78 5.44 0.01 4.02 1.01 -0.85 -1.99 120.40 128.82 1b4q s VAL 14 Ca -0.07 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1b4q s VAL 14 Cb -0.09 -3.46 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1b4q s VAL 14 CO -0.02 0.50 -0.01 0.54 0.00 0.00 0.00 175.10 176.11 1b4q s VAL 15 N -0.16 0.04 -0.10 2.92 0.11 -1.23 -2.88 120.40 119.11 1b4q s VAL 15 Ca 0.11 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.91 1b4q s VAL 15 Cb -0.12 -0.09 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 1b4q s VAL 15 CO 0.01 -0.14 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.79 1b4q s VAL 16 N -0.42 1.43 -0.32 2.04 1.01 -1.15 -2.24 120.40 120.76 1b4q s VAL 16 Ca -0.05 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1b4q s VAL 16 Cb -0.03 -1.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1b4q s VAL 16 CO -0.00 0.43 0.47 -0.36 0.00 0.00 0.00 175.10 175.63 1b4q s PHE 17 N 0.88 3.21 0.09 5.22 0.40 -0.99 0.22 117.98 127.00 1b4q s PHE 17 Ca -0.09 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1b4q s PHE 17 Cb -0.15 -2.79 -0.00 0.00 0.51 0.00 0.00 43.02 40.58 1b4q s PHE 17 CO 0.00 -0.42 0.02 0.44 0.70 0.00 0.00 175.22 175.97 1b4q n ILE 18 N 5.30 0.00 -3.28 0.64 -5.35 -0.10 -2.07 119.36 114.50 1b4q n ILE 18 Ca -0.06 -0.48 -0.15 0.00 -0.27 0.00 0.00 62.75 61.79 1b4q n ILE 18 Cb 0.49 0.15 -0.06 0.00 -1.74 0.00 0.00 39.64 38.48 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 -2.33 0.75 -0.12 6.28 1.02 -1.26 -2.71 119.74 121.37 1b4q s LYS 19 Ca 0.03 -1.03 -0.11 0.00 0.02 0.00 0.00 55.97 54.88 1b4q s LYS 19 Cb 0.00 -0.68 -0.12 0.00 -0.52 0.00 0.00 37.83 36.51 1b4q s LYS 19 CO 0.02 -1.24 1.05 -2.30 -0.92 0.00 0.00 175.35 171.96 1b4q n PRO 20 N 3.88 0.01 0.00 -1.68 -0.02 -1.26 -2.17 135.00 133.76 1b4q n PRO 20 Ca 0.15 -0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.19 1b4q n PRO 20 Cb 0.48 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 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 5.19 0.00 -3.70 3.45 -2.24 -1.26 -5.10 114.28 110.62 1b4q n THR 21 Ca 0.16 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.59 1b4q n THR 21 Cb 0.36 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.52 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 6.71 0.00 -0.49 0.00 0.11 -1.99 -1.95 132.00 134.39 1b4q h PRO 23 Ca -0.41 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.61 1b4q h PRO 23 Cb 1.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1b4q h PRO 23 CO 0.75 0.00 -0.04 1.88 -0.21 0.00 0.00 178.00 180.38 1b4q h TYR 24 N 0.00 0.99 -0.67 0.65 -1.99 -1.93 0.11 116.97 114.12 1b4q h TYR 24 Ca 0.07 -0.19 -0.04 0.00 2.00 0.00 0.00 58.73 60.57 1b4q h TYR 24 Cb 0.43 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 1b4q h TYR 24 CO 0.00 0.94 0.28 0.77 -0.00 0.00 0.00 178.16 180.14 1b4q h SER 25 N 0.75 0.92 -0.45 3.88 0.02 -1.55 -0.31 113.55 116.81 1b4q h SER 25 Ca 0.13 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1b4q h SER 25 Cb 0.57 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1b4q h SER 25 CO 0.03 0.83 0.25 0.03 -1.14 0.00 0.00 176.83 176.84 1b4q h ARG 26 N 0.95 0.65 -0.42 3.45 2.47 -1.30 -1.80 114.38 118.38 1b4q h ARG 26 Ca 0.22 -0.06 0.07 0.00 -1.26 0.00 0.00 59.98 58.95 1b4q h ARG 26 Cb 0.19 -0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 1b4q h ARG 26 CO -0.02 0.49 0.07 -0.09 0.56 0.00 0.00 179.97 180.98 1b4q h ARG 27 N 0.66 0.20 -0.55 0.04 2.43 0.99 0.47 114.38 118.62 1b4q h ARG 27 Ca 0.17 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1b4q h ARG 27 Cb 0.03 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1b4q h ARG 27 CO -0.03 0.13 0.33 0.00 -1.51 0.00 0.00 179.97 178.90 1b4q h ALA 28 N 1.32 1.56 -0.26 2.80 0.00 -0.92 0.13 119.26 123.89 1b4q h ALA 28 Ca 0.20 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1b4q h ALA 28 Cb 0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1b4q h ALA 28 CO -0.27 0.39 -0.43 1.96 0.00 0.00 0.00 179.25 180.90 1b4q h GLN 29 N 0.75 0.75 -0.21 0.00 4.20 -0.54 -2.23 115.11 117.83 1b4q h GLN 29 Ca 0.20 -0.46 -0.17 0.00 0.06 0.00 0.00 58.65 58.28 1b4q h GLN 29 Cb -0.04 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1b4q h GLN 29 CO -0.04 1.08 -0.56 0.93 -0.67 0.00 0.00 178.83 179.58 1b4q h GLU 30 N 0.49 0.65 0.16 1.46 5.08 0.52 -2.46 114.58 120.49 1b4q h GLU 30 Ca 0.02 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1b4q h GLU 30 Cb 1.03 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1b4q h GLU 30 CO 0.10 1.03 -0.08 0.97 -1.00 0.00 0.00 179.01 180.03 1b4q h ILE 31 N 0.50 0.20 -0.04 3.13 -0.00 -0.79 -3.26 117.51 117.25 1b4q h ILE 31 Ca 0.01 -0.96 0.01 0.00 -0.00 0.00 0.00 64.86 63.92 1b4q h ILE 31 Cb 1.12 0.36 -0.00 0.00 -0.00 0.00 0.00 36.82 38.30 1b4q h ILE 31 CO 0.11 0.06 0.08 -0.07 -0.00 0.00 0.00 178.15 178.33 1b4q h LEU 32 N -1.04 0.00 -1.84 2.19 3.38 -1.54 0.19 115.31 116.66 1b4q h LEU 32 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1b4q h LEU 32 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1b4q h LEU 32 CO 0.04 0.00 -0.14 0.28 0.09 0.00 0.00 178.44 178.71 1b4q h SER 33 N 0.00 0.00 0.01 -0.43 0.02 -1.48 -1.11 113.55 110.56 1b4q h SER 33 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1b4q h SER 33 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1b4q h SER 33 CO -0.00 0.14 -0.05 0.00 -1.14 0.00 0.00 176.83 175.78 1b4q n GLN 34 N -3.74 1.71 -3.12 3.45 1.13 0.65 -4.86 117.38 112.60 1b4q n GLN 34 Ca -0.02 -1.15 -0.39 0.00 -1.94 0.00 0.00 57.00 53.50 1b4q n GLN 34 Cb 0.25 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.07 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 -2.08 4.33 -0.63 1.08 1.43 -0.42 -4.93 118.68 117.45 1b4q s LEU 35 Ca 0.33 1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 54.39 1b4q s LEU 35 Cb 0.20 -2.99 -0.14 0.00 0.03 0.00 0.00 46.19 43.30 1b4q s LEU 35 CO 0.36 -0.06 1.84 -0.81 0.23 0.00 0.00 176.35 177.91 1b4q n PRO 36 N 3.56 1.32 -2.84 1.29 -0.04 -1.26 -4.90 135.00 132.13 1b4q n PRO 36 Ca -0.03 -1.47 -0.34 0.00 -0.04 0.00 0.00 63.50 61.61 1b4q n PRO 36 Cb 0.51 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.28 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 4.78 4.36 0.00 0.52 -1.09 -1.26 -2.80 121.20 125.71 1b4q s ILE 37 Ca 0.47 1.55 0.00 0.00 -2.23 0.00 0.00 60.65 60.44 1b4q s ILE 37 Cb 0.12 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.25 1b4q s ILE 37 CO 0.09 -0.13 0.00 0.29 -1.23 0.00 0.00 174.94 173.96 1b4q n LYS 38 N -0.16 -0.06 0.00 2.79 5.02 -1.16 -4.81 118.16 119.78 1b4q n LYS 38 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1b4q n LYS 38 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.53 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 -0.94 0.44 -0.29 1.97 3.00 -1.26 -4.01 117.38 116.29 1b4q n GLN 39 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1b4q n GLN 39 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 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 1.56 0.10 1.08 0.00 -1.26 -3.69 105.19 102.97 1b4q n GLY 40 Ca 0.00 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 2.77 0.34 -4.77 0.99 7.94 -1.26 -4.89 117.00 118.12 1b4q n LEU 41 Ca 0.12 0.10 -0.37 0.00 -1.11 0.00 0.00 56.01 54.75 1b4q n LEU 41 Cb 0.26 0.36 -0.07 0.00 0.53 0.00 0.00 43.42 44.50 1b4q n LEU 41 CO 0.19 0.49 -0.00 -0.22 -1.11 0.00 0.00 177.39 176.74 1b4q s LEU 42 N -5.69 4.32 0.27 -1.96 2.96 -1.24 -2.01 118.68 115.33 1b4q s LEU 42 Ca -0.10 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1b4q s LEU 42 Cb 0.07 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1b4q s LEU 42 CO 0.82 0.19 0.27 -0.70 -1.32 0.00 0.00 176.35 175.61 1b4q s GLU 43 N -0.10 1.53 -0.18 1.98 2.12 -1.14 -5.03 118.70 117.88 1b4q s GLU 43 Ca 0.18 -1.73 -0.04 0.00 0.36 0.00 0.00 54.97 53.74 1b4q s GLU 43 Cb -0.14 0.34 0.06 0.00 0.26 0.00 0.00 34.13 34.65 1b4q s GLU 43 CO 0.06 -0.57 0.06 -0.06 -0.54 0.00 0.00 175.26 174.21 1b4q s PHE 44 N -3.74 0.64 -0.50 5.30 0.08 -1.26 -2.91 117.98 115.59 1b4q s PHE 44 Ca 0.36 -0.58 -0.18 0.00 0.12 0.00 0.00 56.93 56.66 1b4q s PHE 44 Cb 0.03 -0.86 0.07 0.00 -0.57 0.00 0.00 43.02 41.69 1b4q s PHE 44 CO 0.18 -0.55 0.56 0.08 -0.10 0.00 0.00 175.22 175.39 1b4q s VAL 45 N 1.99 4.98 -0.66 -0.44 1.01 0.60 -4.93 120.40 122.96 1b4q s VAL 45 Ca 0.01 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.99 1b4q s VAL 45 Cb -0.16 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.99 1b4q s VAL 45 CO -0.08 -0.77 1.19 -1.81 0.00 0.00 0.00 175.10 173.63 1b4q s ASP 46 N 2.77 6.27 0.00 3.32 1.11 -1.26 -0.92 116.67 127.96 1b4q s ASP 46 Ca 0.11 -0.32 0.06 0.00 0.18 0.00 0.00 52.55 52.59 1b4q s ASP 46 Cb -0.21 -2.53 0.36 0.00 1.07 0.00 0.00 42.92 41.60 1b4q s ASP 46 CO 0.10 -1.63 0.92 2.30 1.18 0.00 0.00 175.17 178.04 1b4q n ILE 47 N 6.41 0.34 0.26 0.77 -5.35 -1.10 -1.33 119.36 119.36 1b4q n ILE 47 Ca 0.04 0.08 0.11 0.00 -0.27 0.00 0.00 62.75 62.72 1b4q n ILE 47 Cb 0.48 -0.98 -0.02 0.00 -1.74 0.00 0.00 39.64 37.39 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 -1.11 0.33 1.57 7.28 5.66 -1.26 -3.69 114.28 123.06 1b4q n THR 48 Ca 0.04 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.62 1b4q n THR 48 Cb 0.03 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 68.74 1b4q n THR 48 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4q n ALA 49 N -2.06 2.44 -1.07 1.79 0.00 -0.44 -3.10 120.51 118.06 1b4q n ALA 49 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b4q n ALA 49 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 -0.32 0.00 -3.95 0.00 5.66 -1.25 -5.10 114.28 109.32 1b4q n THR 50 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1b4q n THR 50 Cb 0.08 1.66 -0.01 0.00 -1.55 0.00 0.00 70.33 70.52 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 -4.16 -2.61 1.09 3.02 -1.18 -4.86 115.26 106.56 1b4q n ASN 51 Ca 0.00 0.19 -0.18 0.00 -0.03 0.00 0.00 54.58 54.55 1b4q n ASN 51 Cb 0.23 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.62 -1.38 -0.19 3.10 8.25 -1.26 -4.83 115.22 117.29 1b4q n HIS 52 Ca 0.00 0.13 -0.05 0.00 -0.26 0.00 0.00 57.72 57.54 1b4q n HIS 52 Cb 0.08 -3.57 0.01 0.00 1.12 0.00 0.00 29.99 27.63 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 -0.32 0.20 -0.88 1.59 1.35 -1.90 0.18 112.91 113.14 1b4q h THR 53 Ca -0.43 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.55 1b4q h THR 53 Cb 1.31 0.20 -0.07 0.00 -1.73 0.00 0.00 68.15 67.86 1b4q h THR 53 CO 0.50 0.00 0.57 0.78 -0.25 0.00 0.00 175.52 177.11 1b4q h ASN 54 N -0.16 0.70 -0.27 5.36 -0.26 -1.94 -1.77 115.58 117.25 1b4q h ASN 54 Ca 0.23 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.99 1b4q h ASN 54 Cb 0.54 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.68 1b4q h ASN 54 CO -0.65 0.38 0.13 -0.33 -1.06 0.00 0.00 177.43 175.90 1b4q h GLU 55 N 0.76 0.38 0.32 0.81 3.07 -1.00 0.36 114.58 119.28 1b4q h GLU 55 Ca 0.43 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 59.22 1b4q h GLU 55 Cb 0.58 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1b4q h GLU 55 CO -0.19 0.36 -0.16 0.82 -1.40 0.00 0.00 179.01 178.44 1b4q h ILE 56 N 0.30 0.66 -0.91 3.13 5.03 -0.92 -0.99 117.51 123.81 1b4q h ILE 56 Ca 0.09 -0.57 0.07 0.00 -0.12 0.00 0.00 64.86 64.33 1b4q h ILE 56 Cb 0.10 0.94 -0.07 0.00 -3.03 0.00 0.00 36.82 34.77 1b4q h ILE 56 CO -0.01 0.11 0.57 1.56 -0.68 0.00 0.00 178.15 179.70 1b4q h GLN 57 N -0.77 0.99 -0.73 2.37 4.20 -1.35 1.02 115.11 120.86 1b4q h GLN 57 Ca -0.04 -0.06 0.14 0.00 0.06 0.00 0.00 58.65 58.75 1b4q h GLN 57 Cb 0.51 -0.22 -0.05 0.00 0.30 0.00 0.00 27.48 28.02 1b4q h GLN 57 CO 0.07 0.66 0.49 -0.44 -0.67 0.00 0.00 178.83 178.94 1b4q h ASP 58 N 1.02 0.37 0.04 1.46 5.19 -0.11 0.30 116.42 124.70 1b4q h ASP 58 Ca 0.41 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.78 1b4q h ASP 58 Cb 0.21 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.67 1b4q h ASP 58 CO -0.19 0.19 -0.24 0.22 -3.12 0.00 0.00 179.24 176.10 1b4q h TYR 59 N 0.39 0.17 -0.83 4.55 5.03 0.21 -3.20 116.97 123.28 1b4q h TYR 59 Ca 0.35 -0.12 0.19 0.00 2.58 0.00 0.00 58.73 61.74 1b4q h TYR 59 Cb 0.83 -0.01 -0.05 0.00 1.55 0.00 0.00 36.73 39.04 1b4q h TYR 59 CO -0.00 1.08 0.56 -0.07 -1.32 0.00 0.00 178.16 178.41 1b4q h LEU 60 N -0.79 0.31 0.46 2.82 3.38 0.17 0.12 115.31 121.79 1b4q h LEU 60 Ca -0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1b4q h LEU 60 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1b4q h LEU 60 CO 0.05 0.14 -0.24 -0.61 0.09 0.00 0.00 178.44 177.86 1b4q h GLN 61 N 0.32 -0.63 -0.42 1.13 5.75 -0.48 0.19 115.11 120.98 1b4q h GLN 61 Ca 0.42 0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.87 1b4q h GLN 61 Cb 1.15 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 1b4q h GLN 61 CO -0.12 -0.42 -0.10 0.37 -2.65 0.00 0.00 178.83 175.91 1b4q h GLN 62 N -0.65 0.80 -0.23 1.69 -0.00 -1.12 0.54 115.11 116.14 1b4q h GLN 62 Ca -0.06 -0.31 -0.01 0.00 -0.00 0.00 0.00 58.65 58.27 1b4q h GLN 62 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.93 1b4q h GLN 62 CO 0.09 0.93 0.11 1.25 0.00 0.00 0.00 178.83 181.20 1b4q h LEU 63 N 0.63 0.31 0.00 -2.39 5.85 -0.72 -3.40 115.31 115.59 1b4q h LEU 63 Ca 0.11 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1b4q h LEU 63 Cb 0.63 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1b4q h LEU 63 CO 0.04 0.36 -0.37 0.35 -0.34 0.00 0.00 178.44 178.48 1b4q n THR 64 N -4.82 0.91 0.00 1.05 -2.24 0.65 -5.03 114.28 104.80 1b4q n THR 64 Ca -0.03 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1b4q n THR 64 Cb 0.11 -1.76 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 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 2.38 3.45 3.87 3.38 0.00 0.19 -5.00 105.19 113.46 1b4q n GLY 65 Ca -0.05 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.11 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 3.84 -0.29 4.61 0.00 -1.26 -4.73 121.76 123.93 1b4q s ALA 66 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 51.96 51.53 1b4q s ALA 66 Cb 0.00 -2.07 0.63 0.00 0.00 0.00 0.00 23.12 21.68 1b4q s ALA 66 CO 0.00 0.59 1.63 2.89 0.00 0.00 0.00 175.76 180.87 1b4q n ARG 67 N 1.89 2.95 -2.07 0.00 -4.01 -1.26 -4.16 116.66 110.00 1b4q n ARG 67 Ca -0.18 -3.05 -0.27 0.00 -1.04 0.00 0.00 57.85 53.31 1b4q n ARG 67 Cb 0.54 -2.02 0.07 0.00 -3.04 0.00 0.00 32.46 28.02 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 -3.04 2.33 -0.12 8.89 2.01 -1.26 -5.01 115.64 119.45 1b4q s THR 68 Ca 0.49 -0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.38 1b4q s THR 68 Cb 0.41 -3.06 -0.02 0.00 0.01 0.00 0.00 72.50 69.83 1b4q s THR 68 CO 0.09 -0.07 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.18 1b4q s VAL 69 N -3.37 3.60 0.00 3.82 1.01 -1.26 -4.20 120.40 120.00 1b4q s VAL 69 Ca 0.60 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1b4q s VAL 69 Cb -0.11 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.75 1b4q s VAL 69 CO 0.47 0.54 0.00 -0.81 0.00 0.00 0.00 175.10 175.30 1b4q n PRO 70 N 3.09 1.17 -3.42 2.72 -0.04 -1.26 -4.35 135.00 132.90 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 -0.10 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 -0.37 0.42 0.46 0.54 6.06 -0.88 -4.25 118.95 120.93 1b4q s ARG 71 Ca 0.00 -0.60 -0.09 0.00 -2.50 0.00 0.00 55.73 52.54 1b4q s ARG 71 Cb 0.00 -0.86 -0.05 0.00 0.06 0.00 0.00 34.95 34.09 1b4q s ARG 71 CO 0.00 -1.10 0.81 0.08 -2.50 0.00 0.00 175.30 172.59 1b4q s VAL 72 N 1.85 4.80 -0.35 7.11 1.01 -0.99 -2.36 120.40 131.47 1b4q s VAL 72 Ca 0.13 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.67 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 -0.20 -0.70 0.30 -0.36 0.00 0.00 0.00 175.10 174.14 1b4q s PHE 73 N -2.59 0.08 -0.23 5.22 0.40 -0.95 -3.57 117.98 116.34 1b4q s PHE 73 Ca 0.51 -1.07 -0.29 0.00 -0.60 0.00 0.00 56.93 55.48 1b4q s PHE 73 Cb -0.10 -0.61 -0.02 0.00 0.51 0.00 0.00 43.02 42.80 1b4q s PHE 73 CO 0.38 -0.91 1.51 0.42 0.70 0.00 0.00 175.22 177.32 1b4q s ILE 74 N 1.40 3.84 0.00 0.64 -1.09 -0.49 -3.57 121.20 121.94 1b4q s ILE 74 Ca 0.16 0.96 0.00 0.00 -2.23 0.00 0.00 60.65 59.54 1b4q s ILE 74 Cb -0.18 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.86 1b4q s ILE 74 CO -0.05 -0.33 0.00 0.61 -1.23 0.00 0.00 174.94 173.94 1b4q n GLY 75 N 4.49 0.95 0.04 6.18 0.00 -0.84 -0.74 105.19 115.27 1b4q n GLY 75 Ca 0.17 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.54 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 1.06 -3.06 1.61 5.02 -1.26 -4.52 118.16 117.02 1b4q n LYS 76 Ca 0.00 -0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.78 1b4q n LYS 76 Cb 0.00 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 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 -1.47 6.49 0.30 4.39 1.11 0.08 -5.04 116.67 122.51 1b4q s ASP 77 Ca 0.23 0.27 -0.28 0.00 0.18 0.00 0.00 52.55 52.95 1b4q s ASP 77 Cb 0.11 -2.35 -0.09 0.00 1.07 0.00 0.00 42.92 41.65 1b4q s ASP 77 CO 0.18 -0.62 1.01 -0.55 1.18 0.00 0.00 175.17 176.37 1b4q s SER 78 N 1.78 7.31 -0.01 0.27 0.15 -1.26 -1.39 113.70 120.55 1b4q s SER 78 Ca 0.27 2.04 0.11 0.00 0.70 0.00 0.00 55.95 59.07 1b4q s SER 78 Cb -0.14 -2.60 -0.16 0.00 -1.71 0.00 0.00 66.02 61.40 1b4q s SER 78 CO 0.15 -0.09 0.30 2.30 1.20 0.00 0.00 173.24 177.10 1b4q n ILE 79 N 0.94 0.00 0.00 6.45 -5.35 -1.23 -4.91 119.36 115.25 1b4q n ILE 79 Ca 0.00 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1b4q n ILE 79 Cb 0.47 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.79 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 1.72 0.70 0.00 3.28 0.00 -1.26 -4.66 105.19 104.97 1b4q n GLY 80 Ca -0.01 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 1.37 0.25 -0.02 0.00 -1.26 -2.35 105.19 103.18 1b4q n GLY 81 Ca 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.47 -0.47 1.61 0.87 -1.80 -1.95 113.55 111.34 1b4q h SER 82 Ca 0.00 0.02 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 1b4q h SER 82 Cb 0.00 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1b4q h SER 82 CO 0.00 -0.06 0.54 -1.28 -0.53 0.00 0.00 176.83 175.50 1b4q h SER 83 N -1.11 0.00 -0.01 6.23 0.87 -1.94 0.18 113.55 117.77 1b4q h SER 83 Ca -0.06 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1b4q h SER 83 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1b4q h SER 83 CO 0.09 0.00 -0.21 0.44 -0.53 0.00 0.00 176.83 176.63 1b4q h ASP 84 N 0.00 0.19 0.38 6.23 5.19 -1.87 -2.94 116.42 123.60 1b4q h ASP 84 Ca 0.22 -0.76 -0.00 0.00 -0.62 0.00 0.00 57.03 55.87 1b4q h ASP 84 Cb 1.31 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.73 1b4q h ASP 84 CO -0.00 0.93 -0.49 0.25 -3.12 0.00 0.00 179.24 176.80 1b4q h LEU 85 N -0.52 -1.39 -0.36 1.55 6.46 0.15 -2.69 115.31 118.51 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 0.48 -0.08 0.00 -0.73 0.00 0.00 40.66 41.28 1b4q h LEU 85 CO 0.04 -0.62 -0.17 -0.37 -0.62 0.00 0.00 178.44 176.70 1b4q h VAL 86 N -0.90 0.48 -1.18 1.05 -1.51 -1.55 0.27 116.25 112.91 1b4q h VAL 86 Ca -0.04 0.00 0.34 0.00 -1.23 0.00 0.00 66.70 65.77 1b4q h VAL 86 Cb 0.82 0.48 -0.09 0.00 -2.13 0.00 0.00 31.29 30.37 1b4q h VAL 86 CO -0.13 0.00 0.79 0.28 -1.23 0.00 0.00 177.57 177.28 1b4q h SER 87 N -0.11 0.26 0.30 4.19 0.02 -1.30 0.11 113.55 117.03 1b4q h SER 87 Ca 0.18 0.07 -0.33 0.00 -0.84 0.00 0.00 61.79 60.87 1b4q h SER 87 Cb 0.38 0.03 0.02 0.00 0.14 0.00 0.00 62.40 62.98 1b4q h SER 87 CO -0.43 -0.00 -1.55 -0.07 -1.14 0.00 0.00 176.83 173.63 1b4q h LEU 88 N 0.20 0.68 0.93 5.07 3.38 -0.22 -3.21 115.31 122.14 1b4q h LEU 88 Ca 0.65 -0.83 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 1b4q h LEU 88 Cb 2.04 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 42.58 1b4q h LEU 88 CO -0.24 1.67 -0.45 -0.61 0.09 0.00 0.00 178.44 178.91 1b4q h GLN 89 N 0.12 -1.20 0.00 1.13 -0.00 0.93 0.37 115.11 116.45 1b4q h GLN 89 Ca -0.27 0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 1b4q h GLN 89 Cb 2.11 0.27 0.00 0.00 0.00 0.00 0.00 27.48 29.87 1b4q h GLN 89 CO 0.23 -0.80 0.00 -0.56 0.00 0.00 0.00 178.83 177.70 1b4q h GLN 90 N -1.26 0.00 0.11 1.69 -0.00 -1.64 -2.17 115.11 111.84 1b4q h GLN 90 Ca -0.13 0.00 -0.17 0.00 -0.00 0.00 0.00 58.65 58.35 1b4q h GLN 90 Cb 0.96 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.45 1b4q h GLN 90 CO 0.21 0.00 -0.81 0.77 -0.00 0.00 0.00 178.83 179.00 1b4q h SER 91 N 0.00 0.36 0.00 0.06 0.02 -1.39 -3.48 113.55 109.12 1b4q h SER 91 Ca 0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1b4q h SER 91 Cb 0.10 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1b4q h SER 91 CO 0.00 1.37 0.00 0.61 -1.14 0.00 0.00 176.83 177.67 1b4q n GLY 92 N 1.66 1.10 0.22 -3.77 0.00 0.12 -4.93 105.19 99.59 1b4q n GLY 92 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 1.60 0.00 0.27 1.61 4.57 -1.82 -3.09 114.58 117.72 1b4q h GLU 93 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 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 -0.13 1.25 -1.18 0.00 0.00 179.01 179.20 1b4q h LEU 94 N 0.00 -0.32 -1.99 1.64 5.85 -1.86 -0.46 115.31 118.18 1b4q h LEU 94 Ca -0.00 0.01 0.21 0.00 0.84 0.00 0.00 57.88 58.94 1b4q h LEU 94 Cb 0.66 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1b4q h LEU 94 CO 0.03 -0.22 0.55 0.17 -0.34 0.00 0.00 178.44 178.63 1b4q h LEU 95 N -0.37 0.00 -0.23 2.25 8.10 -1.85 0.58 115.31 123.79 1b4q h LEU 95 Ca -0.04 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.93 1b4q h LEU 95 Cb 0.28 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.49 1b4q h LEU 95 CO 0.06 0.00 0.05 0.74 -4.11 0.00 0.00 178.44 175.19 1b4q h THR 96 N 0.00 1.21 -0.45 0.15 2.02 -1.39 0.32 112.91 114.78 1b4q h THR 96 Ca 0.35 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1b4q h THR 96 Cb 1.44 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 1b4q h THR 96 CO -0.00 0.22 0.30 -0.09 0.37 0.00 0.00 175.52 176.31 1b4q h ARG 97 N 0.19 0.54 -0.35 6.66 2.43 0.18 0.48 114.38 124.51 1b4q h ARG 97 Ca 0.07 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 1b4q h ARG 97 Cb 0.28 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1b4q h ARG 97 CO 0.00 0.35 -0.41 -0.07 -1.51 0.00 0.00 179.97 178.34 1b4q h LEU 98 N 0.55 0.96 0.17 3.80 4.07 -0.46 -3.30 115.31 121.10 1b4q h LEU 98 Ca 0.17 -0.48 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 1b4q h LEU 98 Cb 0.01 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.48 1b4q h LEU 98 CO -0.04 1.25 -0.08 0.50 -1.08 0.00 0.00 178.44 178.99 1b4q h LYS 99 N 0.69 -0.22 -0.96 1.13 3.64 0.15 0.60 116.57 121.60 1b4q h LYS 99 Ca 0.05 0.02 0.28 0.00 -1.27 0.00 0.00 60.65 59.72 1b4q h LYS 99 Cb 1.00 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1b4q h LYS 99 CO 0.10 0.09 0.72 -0.56 -2.27 0.00 0.00 179.45 177.53 1b4q h GLN 100 N -0.55 0.00 0.00 1.90 3.07 -1.08 0.88 115.11 119.33 1b4q h GLN 100 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.65 1b4q h GLN 100 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.96 1b4q h GLN 100 CO 0.04 0.00 -1.93 0.44 0.09 0.00 0.00 178.83 177.47 1b4q n ILE 101 N -4.13 0.24 -1.06 1.86 -5.35 -1.17 -5.01 119.36 104.74 1b4q n ILE 101 Ca 0.20 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 1b4q n ILE 101 Cb 1.05 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 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 1.53 0.60 0.05 3.28 0.00 0.14 -4.70 105.19 106.08 1b4q n GLY 102 Ca -0.08 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.68 3.20 -2.01 4.61 0.00 0.16 -4.93 120.51 120.87 1b4q n ALA 103 Ca 0.00 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.87 1b4q n ALA 103 Cb 0.25 -1.04 0.09 0.00 0.00 0.00 0.00 19.45 18.75 1b4q n ALA 103 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1b4q s LEU 104 N -4.09 3.03 0.00 0.00 2.34 -1.26 -2.96 118.68 115.74 1b4q s LEU 104 Ca 0.04 -0.52 0.28 0.00 0.06 0.00 0.00 54.13 54.00 1b4q s LEU 104 Cb 0.14 -1.89 1.70 0.00 -0.56 0.00 0.00 46.19 45.58 1b4q s LEU 104 CO 0.78 -1.68 2.04 0.00 -1.06 0.00 0.00 176.35 176.43