#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 0.01 0.00 6.02 -1.26 -4.62 117.38 117.53 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 -0.10 0.02 0.00 1.02 0.00 0.00 30.24 31.18 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 -1.82 0.00 0.00 -1.09 0.28 -1.26 -2.61 120.64 114.14 1b4q n GLU 3 Ca 0.00 0.49 0.00 0.00 -0.16 0.00 0.00 57.16 57.49 1b4q n GLU 3 Cb 0.00 -1.53 0.00 0.00 1.43 0.00 0.00 31.44 31.34 1b4q n GLU 3 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1b4q n PHE 4 N -1.51 0.00 -0.03 -1.84 3.01 -1.26 -1.73 117.46 114.10 1b4q n PHE 4 Ca -0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 1b4q n PHE 4 Cb 0.02 -0.44 -0.07 0.00 -0.01 0.00 0.00 39.48 38.97 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 1.29 -0.65 -4.37 -1.51 -1.82 -3.16 116.25 106.03 1b4q h VAL 5 Ca 0.00 -1.91 0.11 0.00 -1.23 0.00 0.00 66.70 63.67 1b4q h VAL 5 Cb 0.00 1.99 -0.04 0.00 -2.13 0.00 0.00 31.29 31.11 1b4q h VAL 5 CO 0.00 0.60 0.43 0.78 -1.23 0.00 0.00 177.57 178.15 1b4q h ASN 6 N 0.46 0.40 1.33 4.19 -0.26 -1.62 0.17 115.58 120.26 1b4q h ASN 6 Ca -0.04 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1b4q h ASN 6 Cb 1.32 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 1b4q h ASN 6 CO 0.14 0.24 0.00 0.28 -1.06 0.00 0.00 177.43 177.03 1b4q h SER 7 N 0.44 0.00 0.02 5.81 0.02 -1.30 -3.32 113.55 115.22 1b4q h SER 7 Ca 0.30 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.86 1b4q h SER 7 Cb 0.59 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.07 1b4q h SER 7 CO -0.09 0.00 -2.36 0.29 -1.14 0.00 0.00 176.83 173.53 1b4q n LYS 8 N -2.83 0.65 -2.61 3.45 5.02 0.42 -4.89 118.16 117.37 1b4q n LYS 8 Ca 0.03 0.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.10 1b4q n LYS 8 Cb 0.38 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 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 4.60 0.10 -0.18 -4.36 -0.10 -4.94 121.20 113.80 1b4q s ILE 9 Ca -0.34 1.88 -0.13 0.00 -0.26 0.00 0.00 60.65 61.80 1b4q s ILE 9 Cb 0.10 -4.21 0.02 0.00 1.25 0.00 0.00 42.46 39.62 1b4q s ILE 9 CO 0.60 0.05 0.31 0.00 0.24 0.00 0.00 174.94 176.14 1b4q s GLN 10 N 1.74 0.94 0.26 0.37 -2.07 -1.26 -4.84 119.66 114.80 1b4q s GLN 10 Ca 0.52 -0.76 -0.30 0.00 -1.82 0.00 0.00 55.36 53.00 1b4q s GLN 10 Cb -0.21 0.40 -0.14 0.00 -1.09 0.00 0.00 33.01 31.97 1b4q s GLN 10 CO 0.22 -0.33 1.28 -2.30 -1.32 0.00 0.00 175.29 172.84 1b4q n PRO 11 N -0.02 1.79 -2.05 9.60 -0.02 -1.26 -1.79 135.00 141.26 1b4q n PRO 11 Ca -0.16 0.64 -0.11 0.00 -2.02 0.00 0.00 63.50 61.84 1b4q n PRO 11 Cb 0.62 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.89 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 1.71 0.16 2.80 -1.23 0.00 -1.26 -4.95 105.19 102.43 1b4q n GLY 12 Ca 0.10 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1b4q n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b4q s LYS 13 N -4.26 -0.02 -0.16 1.61 2.20 -0.74 -4.66 119.74 113.71 1b4q s LYS 13 Ca 0.00 0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.74 1b4q s LYS 13 Cb 0.00 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.05 1b4q s LYS 13 CO 0.00 -0.16 0.10 0.08 -0.36 0.00 0.00 175.35 175.02 1b4q s VAL 14 N 1.03 5.19 -0.02 4.02 1.01 -0.92 -1.26 120.40 129.44 1b4q s VAL 14 Ca -0.08 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.98 1b4q s VAL 14 Cb -0.12 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1b4q s VAL 14 CO -0.03 0.51 0.06 0.54 0.00 0.00 0.00 175.10 176.18 1b4q s VAL 15 N -0.16 -0.01 -0.11 2.92 0.11 -1.22 -2.93 120.40 119.00 1b4q s VAL 15 Ca 0.09 0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.23 1b4q s VAL 15 Cb -0.12 -0.09 0.00 0.00 -1.53 0.00 0.00 36.38 34.64 1b4q s VAL 15 CO 0.01 0.02 -0.23 -0.69 -3.33 0.00 0.00 175.10 170.88 1b4q s VAL 16 N 0.30 2.00 -0.29 2.04 1.01 -1.11 -2.03 120.40 122.32 1b4q s VAL 16 Ca -0.02 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 1b4q s VAL 16 Cb -0.03 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1b4q s VAL 16 CO -0.01 0.54 0.40 -0.36 0.00 0.00 0.00 175.10 175.68 1b4q s PHE 17 N 0.50 3.23 0.27 5.22 0.40 -0.83 0.24 117.98 127.01 1b4q s PHE 17 Ca -0.15 0.35 0.03 0.00 -0.60 0.00 0.00 56.93 56.55 1b4q s PHE 17 Cb -0.17 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.71 1b4q s PHE 17 CO 0.06 -0.30 0.09 0.44 0.70 0.00 0.00 175.22 176.21 1b4q n ILE 18 N 5.17 0.00 -3.41 0.64 -5.35 0.56 -1.92 119.36 115.06 1b4q n ILE 18 Ca -0.08 -1.55 -0.21 0.00 -0.27 0.00 0.00 62.75 60.64 1b4q n ILE 18 Cb 0.50 0.55 -0.10 0.00 -1.74 0.00 0.00 39.64 38.85 1b4q n ILE 18 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1b4q s LYS 19 N -3.02 0.51 -0.57 6.28 1.02 -1.26 -2.47 119.74 120.23 1b4q s LYS 19 Ca 0.13 -0.80 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 1b4q s LYS 19 Cb 0.01 -0.90 -0.14 0.00 -0.52 0.00 0.00 37.83 36.28 1b4q s LYS 19 CO 0.09 -1.15 1.67 -2.30 -0.92 0.00 0.00 175.35 172.74 1b4q n PRO 20 N 4.51 0.09 0.00 -1.68 -0.02 -1.26 -2.33 135.00 134.31 1b4q n PRO 20 Ca 0.07 -0.62 0.00 0.00 -2.02 0.00 0.00 63.50 60.93 1b4q n PRO 20 Cb 0.43 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1b4q n PRO 20 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1b4q n THR 21 N 6.55 0.00 -3.59 3.45 5.66 -1.26 -5.11 114.28 119.97 1b4q n THR 21 Ca 0.28 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.91 1b4q n THR 21 Cb 0.43 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.13 1b4q n THR 21 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4q h PRO 23 N 7.19 0.00 -0.35 0.00 0.11 -1.99 -2.32 132.00 134.65 1b4q h PRO 23 Ca -0.39 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 1b4q h PRO 23 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1b4q h PRO 23 CO 0.71 0.00 -0.12 1.88 -0.21 0.00 0.00 178.00 180.25 1b4q h TYR 24 N 0.00 0.80 -0.66 0.65 -1.99 -1.93 -0.75 116.97 113.08 1b4q h TYR 24 Ca 0.05 -0.18 -0.04 0.00 2.00 0.00 0.00 58.73 60.56 1b4q h TYR 24 Cb 0.49 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 39.00 1b4q h TYR 24 CO 0.00 0.88 0.25 0.77 -0.00 0.00 0.00 178.16 180.06 1b4q h SER 25 N 0.48 0.91 -0.92 3.88 0.02 -1.61 -1.35 113.55 114.97 1b4q h SER 25 Ca 0.08 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1b4q h SER 25 Cb 0.65 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 1b4q h SER 25 CO 0.04 0.82 0.52 0.03 -1.14 0.00 0.00 176.83 177.10 1b4q h ARG 26 N 0.96 1.27 -0.66 3.45 2.47 -1.41 -1.79 114.38 118.67 1b4q h ARG 26 Ca 0.22 -0.14 0.11 0.00 -1.26 0.00 0.00 59.98 58.91 1b4q h ARG 26 Cb 0.21 -0.25 -0.08 0.00 -1.65 0.00 0.00 29.97 28.20 1b4q h ARG 26 CO -0.02 0.92 0.26 0.00 0.56 0.00 0.00 179.97 181.69 1b4q h ARG 27 N 1.28 0.42 -0.53 0.04 -0.00 0.02 0.41 114.38 116.02 1b4q h ARG 27 Ca 0.32 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.98 59.76 1b4q h ARG 27 Cb 0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 29.97 29.85 1b4q h ARG 27 CO -0.05 0.28 0.26 0.00 0.00 0.00 0.00 179.97 180.46 1b4q h ALA 28 N 1.45 1.47 -0.22 0.04 0.00 -1.08 -0.20 119.26 120.73 1b4q h ALA 28 Ca 0.34 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1b4q h ALA 28 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1b4q h ALA 28 CO -0.33 0.43 -0.48 1.96 0.00 0.00 0.00 179.25 180.83 1b4q h GLN 29 N 0.74 0.57 -0.31 0.00 4.20 -0.02 -2.75 115.11 117.55 1b4q h GLN 29 Ca 0.19 -0.32 -0.14 0.00 0.06 0.00 0.00 58.65 58.44 1b4q h GLN 29 Cb 0.06 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1b4q h GLN 29 CO -0.03 0.92 -0.35 0.93 -0.67 0.00 0.00 178.83 179.64 1b4q h GLU 30 N 0.45 0.78 0.02 1.46 4.39 0.69 -2.72 114.58 119.66 1b4q h GLU 30 Ca 0.02 -0.43 -0.00 0.00 0.34 0.00 0.00 59.36 59.30 1b4q h GLU 30 Cb 1.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1b4q h GLU 30 CO 0.09 1.06 -0.01 0.97 -1.16 0.00 0.00 179.01 179.96 1b4q h ILE 31 N 0.54 0.00 0.00 3.13 6.09 -1.07 -3.20 117.51 123.01 1b4q h ILE 31 Ca 0.04 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1b4q h ILE 31 Cb 0.93 0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.22 1b4q h ILE 31 CO 0.08 0.00 0.35 -0.07 -3.07 0.00 0.00 178.15 175.44 1b4q h LEU 32 N -0.07 0.00 -1.13 2.19 3.38 -1.66 1.04 115.31 119.07 1b4q h LEU 32 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1b4q h LEU 32 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1b4q h LEU 32 CO 0.01 0.00 -0.43 -1.28 0.09 0.00 0.00 178.44 176.82 1b4q h SER 33 N 0.00 0.00 -0.10 -0.43 0.87 -1.47 -2.45 113.55 109.97 1b4q h SER 33 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1b4q h SER 33 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1b4q h SER 33 CO 0.00 0.43 0.00 0.00 -0.53 0.00 0.00 176.83 176.73 1b4q n GLN 34 N -3.99 1.94 -3.11 2.24 1.13 0.36 -4.88 117.38 111.07 1b4q n GLN 34 Ca -0.02 -1.38 -0.39 0.00 -1.94 0.00 0.00 57.00 53.27 1b4q n GLN 34 Cb 0.46 -1.46 -0.05 0.00 0.11 0.00 0.00 30.24 29.30 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 -1.84 4.27 -0.70 1.08 1.43 -0.92 -4.94 118.68 117.06 1b4q s LEU 35 Ca 0.34 1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 54.27 1b4q s LEU 35 Cb 0.20 -2.98 -0.18 0.00 0.03 0.00 0.00 46.19 43.27 1b4q s LEU 35 CO 0.31 -0.13 1.89 -0.81 0.23 0.00 0.00 176.35 177.84 1b4q n PRO 36 N 4.02 1.36 -2.38 1.29 -0.04 -1.26 -4.91 135.00 133.08 1b4q n PRO 36 Ca -0.02 -1.77 -0.32 0.00 -0.04 0.00 0.00 63.50 61.35 1b4q n PRO 36 Cb 0.51 -2.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.06 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 5.28 4.58 0.00 0.52 -1.09 -1.26 -2.77 121.20 126.47 1b4q s ILE 37 Ca 0.59 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 1b4q s ILE 37 Cb 0.14 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1b4q s ILE 37 CO 0.14 -0.73 0.00 0.29 -1.23 0.00 0.00 174.94 173.41 1b4q n LYS 38 N -1.71 -0.41 0.00 2.79 4.76 -1.09 -4.72 118.16 117.78 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 -1.16 0.00 -0.42 1.97 6.02 -1.26 -4.06 117.38 118.47 1b4q n GLN 39 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1b4q n GLN 39 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 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 2.02 0.11 1.08 0.00 -1.26 -3.85 105.19 103.28 1b4q n GLY 40 Ca 0.00 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 3.27 0.80 -4.79 0.99 7.94 -1.26 -4.91 117.00 119.05 1b4q n LEU 41 Ca 0.20 0.01 -0.37 0.00 -1.11 0.00 0.00 56.01 54.75 1b4q n LEU 41 Cb 0.28 0.12 -0.06 0.00 0.53 0.00 0.00 43.42 44.28 1b4q n LEU 41 CO 0.32 0.60 0.01 -0.22 -1.11 0.00 0.00 177.39 176.99 1b4q s LEU 42 N -5.81 4.35 0.25 -1.96 2.96 -1.25 -2.17 118.68 115.04 1b4q s LEU 42 Ca -0.15 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1b4q s LEU 42 Cb 0.07 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 1b4q s LEU 42 CO 0.78 0.22 0.28 -0.70 -1.32 0.00 0.00 176.35 175.61 1b4q s GLU 43 N -0.31 1.45 -0.19 1.98 2.12 -1.15 -5.03 118.70 117.57 1b4q s GLU 43 Ca 0.19 -1.61 -0.02 0.00 0.36 0.00 0.00 54.97 53.89 1b4q s GLU 43 Cb -0.14 0.35 0.06 0.00 0.26 0.00 0.00 34.13 34.65 1b4q s GLU 43 CO 0.08 -0.54 0.02 -0.06 -0.54 0.00 0.00 175.26 174.21 1b4q s PHE 44 N -3.88 1.23 -0.47 5.30 0.08 -1.26 -2.76 117.98 116.22 1b4q s PHE 44 Ca 0.34 -0.95 -0.18 0.00 0.12 0.00 0.00 56.93 56.27 1b4q s PHE 44 Cb 0.04 -1.11 0.05 0.00 -0.57 0.00 0.00 43.02 41.43 1b4q s PHE 44 CO 0.15 -0.62 0.52 0.08 -0.10 0.00 0.00 175.22 175.25 1b4q s VAL 45 N 1.79 5.02 -0.76 -0.44 1.01 0.67 -4.93 120.40 122.75 1b4q s VAL 45 Ca -0.01 -0.56 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 1b4q s VAL 45 Cb -0.17 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.08 1b4q s VAL 45 CO -0.07 -0.64 1.18 -1.81 0.00 0.00 0.00 175.10 173.76 1b4q s ASP 46 N 2.39 6.24 0.00 3.32 1.01 -1.26 -0.32 116.67 128.04 1b4q s ASP 46 Ca 0.12 -0.88 0.02 0.00 0.71 0.00 0.00 52.55 52.53 1b4q s ASP 46 Cb -0.20 -2.50 0.15 0.00 1.01 0.00 0.00 42.92 41.38 1b4q s ASP 46 CO 0.11 -1.60 0.53 2.30 0.21 0.00 0.00 175.17 176.72 1b4q n ILE 47 N 6.22 0.00 -0.08 0.77 -5.35 -1.03 -1.73 119.36 118.16 1b4q n ILE 47 Ca 0.06 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.39 1b4q n ILE 47 Cb 0.48 -0.82 -0.14 0.00 -1.74 0.00 0.00 39.64 37.42 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 -0.87 1.54 0.94 7.28 -2.24 -1.26 -4.06 114.28 115.60 1b4q n THR 48 Ca 0.02 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1b4q n THR 48 Cb 0.01 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 -2.95 2.44 -0.87 6.98 0.00 -0.70 -2.98 120.51 122.43 1b4q n ALA 49 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1b4q n ALA 49 Cb 1.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 0.47 0.00 -1.06 0.00 5.66 -1.26 -5.06 114.28 113.03 1b4q n THR 50 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 1b4q n THR 50 Cb 0.44 1.28 -0.02 0.00 -1.55 0.00 0.00 70.33 70.47 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 -4.27 -2.15 1.09 5.15 -1.16 -4.83 115.26 109.09 1b4q n ASN 51 Ca 0.00 0.73 -0.15 0.00 -0.60 0.00 0.00 54.58 54.56 1b4q n ASN 51 Cb 0.16 -2.04 -0.02 0.00 -0.53 0.00 0.00 39.78 37.35 1b4q n ASN 51 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1b4q n HIS 52 N -2.52 -1.02 -0.28 1.20 8.25 -1.26 -4.81 115.22 114.77 1b4q n HIS 52 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1b4q n HIS 52 Cb 0.31 -3.00 -0.02 0.00 1.12 0.00 0.00 29.99 28.40 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 0.06 -0.31 1.59 2.02 -1.88 0.32 112.91 114.70 1b4q h THR 53 Ca -0.34 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.86 1b4q h THR 53 Cb 1.17 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 1b4q h THR 53 CO 0.42 0.00 0.21 0.78 0.37 0.00 0.00 175.52 177.30 1b4q h ASN 54 N -0.13 0.31 -0.48 4.18 2.35 -1.90 -2.54 115.58 117.37 1b4q h ASN 54 Ca 0.23 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1b4q h ASN 54 Cb 0.55 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 1b4q h ASN 54 CO -0.81 0.22 0.24 -0.33 -1.65 0.00 0.00 177.43 175.10 1b4q h GLU 55 N 0.36 0.68 0.35 0.81 3.07 -0.73 0.35 114.58 119.47 1b4q h GLU 55 Ca 0.12 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1b4q h GLU 55 Cb 0.05 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 1b4q h GLU 55 CO -0.03 0.56 -0.17 0.82 -1.40 0.00 0.00 179.01 178.80 1b4q h ILE 56 N 0.63 0.64 -0.63 3.13 5.03 -1.12 0.56 117.51 125.74 1b4q h ILE 56 Ca 0.17 -0.50 0.07 0.00 -0.12 0.00 0.00 64.86 64.48 1b4q h ILE 56 Cb 0.10 0.88 -0.06 0.00 -3.03 0.00 0.00 36.82 34.70 1b4q h ILE 56 CO -0.02 0.09 0.31 1.56 -0.68 0.00 0.00 178.15 179.41 1b4q h GLN 57 N -0.76 0.54 -0.76 2.37 4.20 -1.46 1.57 115.11 120.80 1b4q h GLN 57 Ca -0.05 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.78 1b4q h GLN 57 Cb 0.51 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 28.12 1b4q h GLN 57 CO 0.08 0.36 0.51 -0.44 -0.67 0.00 0.00 178.83 178.66 1b4q h ASP 58 N 0.56 0.41 0.06 1.46 3.32 -0.13 0.44 116.42 122.53 1b4q h ASP 58 Ca 0.30 0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 1b4q h ASP 58 Cb 0.27 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 39.77 1b4q h ASP 58 CO -0.23 0.21 -0.55 0.22 -1.72 0.00 0.00 179.24 177.17 1b4q h TYR 59 N 0.43 0.43 -0.85 4.55 5.03 0.31 -2.98 116.97 123.90 1b4q h TYR 59 Ca 0.37 -0.28 0.16 0.00 2.58 0.00 0.00 58.73 61.56 1b4q h TYR 59 Cb 0.83 -0.03 -0.06 0.00 1.55 0.00 0.00 36.73 39.02 1b4q h TYR 59 CO -0.00 1.16 0.55 -0.07 -1.32 0.00 0.00 178.16 178.49 1b4q h LEU 60 N -0.42 0.52 0.74 2.82 3.38 0.36 0.60 115.31 123.31 1b4q h LEU 60 Ca -0.09 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1b4q h LEU 60 Cb 1.36 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.05 1b4q h LEU 60 CO 0.11 0.26 -0.36 -0.61 0.09 0.00 0.00 178.44 177.92 1b4q h GLN 61 N 0.55 -0.96 -0.28 1.13 5.75 -0.20 0.20 115.11 121.31 1b4q h GLN 61 Ca 0.43 0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.89 1b4q h GLN 61 Cb 0.84 0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 1b4q h GLN 61 CO -0.17 -0.63 -0.25 0.37 -2.65 0.00 0.00 178.83 175.49 1b4q h GLN 62 N -1.02 0.54 -0.09 1.69 4.15 -1.11 0.56 115.11 119.83 1b4q h GLN 62 Ca -0.10 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.10 1b4q h GLN 62 Cb 0.77 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 1b4q h GLN 62 CO 0.17 0.75 0.01 1.25 -1.93 0.00 0.00 178.83 179.08 1b4q h LEU 63 N 0.48 0.15 0.00 -2.39 5.85 0.30 -3.41 115.31 116.28 1b4q h LEU 63 Ca 0.07 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1b4q h LEU 63 Cb 0.69 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1b4q h LEU 63 CO 0.05 0.39 -0.26 0.35 -0.34 0.00 0.00 178.44 178.63 1b4q n THR 64 N -4.85 0.82 0.00 1.05 -2.24 0.70 -5.06 114.28 104.70 1b4q n THR 64 Ca -0.06 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1b4q n THR 64 Cb 0.18 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 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 2.65 2.16 3.88 3.38 0.00 0.20 -4.99 105.19 112.45 1b4q n GLY 65 Ca -0.04 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1b4q n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b4q s ALA 66 N 0.00 3.80 -0.34 4.61 0.00 -1.26 -4.66 121.76 123.91 1b4q s ALA 66 Ca 0.00 -0.50 0.07 0.00 0.00 0.00 0.00 51.96 51.53 1b4q s ALA 66 Cb 0.00 -2.14 0.52 0.00 0.00 0.00 0.00 23.12 21.50 1b4q s ALA 66 CO 0.00 0.62 1.54 2.89 0.00 0.00 0.00 175.76 180.81 1b4q n ARG 67 N 1.08 2.05 -2.19 0.00 -4.01 -1.26 -4.11 116.66 108.22 1b4q n ARG 67 Ca -0.10 -3.25 -0.27 0.00 -1.04 0.00 0.00 57.85 53.19 1b4q n ARG 67 Cb 0.53 -1.92 0.06 0.00 -3.04 0.00 0.00 32.46 28.08 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 -3.44 2.85 -0.11 8.89 2.01 -1.26 -5.02 115.64 119.56 1b4q s THR 68 Ca 0.48 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.41 1b4q s THR 68 Cb 0.42 -3.21 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 1b4q s THR 68 CO 0.01 -0.23 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.94 1b4q s VAL 69 N -3.21 3.56 0.00 3.82 1.01 -1.26 -4.09 120.40 120.22 1b4q s VAL 69 Ca 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1b4q s VAL 69 Cb -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1b4q s VAL 69 CO 0.46 0.54 0.00 -0.81 0.00 0.00 0.00 175.10 175.29 1b4q n PRO 70 N 3.02 0.53 -3.36 2.72 -0.04 -1.26 -4.34 135.00 132.27 1b4q n PRO 70 Ca -0.18 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.12 1b4q n PRO 70 Cb 0.53 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 1b4q n PRO 70 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1b4q s ARG 71 N -1.54 0.60 0.48 0.54 1.81 -0.81 -4.33 118.95 115.71 1b4q s ARG 71 Ca 0.00 -0.73 -0.09 0.00 -1.72 0.00 0.00 55.73 53.20 1b4q s ARG 71 Cb 0.00 -0.67 -0.05 0.00 -0.45 0.00 0.00 34.95 33.78 1b4q s ARG 71 CO 0.00 -1.17 0.83 0.08 -0.68 0.00 0.00 175.30 174.36 1b4q s VAL 72 N 1.59 4.81 -0.36 3.52 1.01 -1.04 -1.97 120.40 127.96 1b4q s VAL 72 Ca 0.16 0.51 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1b4q s VAL 72 Cb -0.15 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.57 1b4q s VAL 72 CO -0.08 -0.78 0.29 -0.36 0.00 0.00 0.00 175.10 174.17 1b4q s PHE 73 N -2.69 0.21 -0.22 5.22 0.40 -0.86 -3.56 117.98 116.48 1b4q s PHE 73 Ca 0.51 -1.21 -0.29 0.00 -0.60 0.00 0.00 56.93 55.33 1b4q s PHE 73 Cb -0.10 -0.66 -0.02 0.00 0.51 0.00 0.00 43.02 42.75 1b4q s PHE 73 CO 0.41 -0.90 1.48 0.42 0.70 0.00 0.00 175.22 177.34 1b4q s ILE 74 N 1.28 3.89 0.00 0.64 -1.09 -0.79 -3.42 121.20 121.70 1b4q s ILE 74 Ca 0.17 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 1b4q s ILE 74 Cb -0.19 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1b4q s ILE 74 CO -0.02 -0.31 0.00 0.61 -1.23 0.00 0.00 174.94 173.99 1b4q n GLY 75 N 4.39 1.00 0.18 6.18 0.00 -0.39 -1.49 105.19 115.07 1b4q n GLY 75 Ca 0.17 -0.67 0.15 0.00 0.00 0.00 0.00 46.02 45.67 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 1.25 -3.09 1.61 5.02 -1.26 -4.46 118.16 117.23 1b4q n LYS 76 Ca 0.00 -0.37 -0.41 0.00 -2.02 0.00 0.00 58.31 55.51 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 -1.98 6.56 0.32 4.39 1.01 -0.56 -5.05 116.67 121.37 1b4q s ASP 77 Ca 0.44 0.61 -0.27 0.00 0.71 0.00 0.00 52.55 54.03 1b4q s ASP 77 Cb 0.21 -2.34 -0.09 0.00 1.01 0.00 0.00 42.92 41.71 1b4q s ASP 77 CO 0.35 -0.43 1.03 -0.55 0.21 0.00 0.00 175.17 175.78 1b4q s SER 78 N 1.54 7.16 -0.01 0.27 0.15 -1.26 -1.89 113.70 119.66 1b4q s SER 78 Ca 0.27 2.08 0.13 0.00 0.70 0.00 0.00 55.95 59.13 1b4q s SER 78 Cb -0.15 -2.60 -0.19 0.00 -1.71 0.00 0.00 66.02 61.36 1b4q s SER 78 CO 0.10 -0.20 0.35 2.30 1.20 0.00 0.00 173.24 176.99 1b4q n ILE 79 N 0.72 0.00 0.00 6.45 -5.35 -1.23 -4.91 119.36 115.03 1b4q n ILE 79 Ca 0.01 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1b4q n ILE 79 Cb 0.48 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.76 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 1.64 0.69 0.00 3.28 0.00 -1.26 -4.67 105.19 104.87 1b4q n GLY 80 Ca -0.01 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1b4q n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b4q n GLY 81 N 0.00 1.50 0.21 -0.02 0.00 -1.26 -2.50 105.19 103.11 1b4q n GLY 81 Ca 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.38 -0.46 1.61 0.87 -1.80 -1.97 113.55 111.42 1b4q h SER 82 Ca 0.00 0.01 0.13 0.00 -1.23 0.00 0.00 61.79 60.71 1b4q h SER 82 Cb 0.00 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1b4q h SER 82 CO 0.00 0.01 0.55 -1.28 -0.53 0.00 0.00 176.83 175.58 1b4q h SER 83 N -1.01 0.00 -0.00 6.23 0.87 -1.94 0.15 113.55 117.85 1b4q h SER 83 Ca -0.05 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1b4q h SER 83 Cb 0.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1b4q h SER 83 CO 0.08 0.00 -0.07 0.44 -0.53 0.00 0.00 176.83 176.75 1b4q h ASP 84 N 0.00 0.06 0.36 6.23 5.19 -1.88 -2.94 116.42 123.45 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 1.32 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.77 1b4q h ASP 84 CO -0.00 0.81 -0.48 0.25 -3.12 0.00 0.00 179.24 176.70 1b4q h LEU 85 N -0.68 -1.37 -0.39 1.55 6.46 0.07 -2.71 115.31 118.25 1b4q h LEU 85 Ca -0.01 0.12 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 1b4q h LEU 85 Cb 0.82 0.47 -0.09 0.00 -0.73 0.00 0.00 40.66 41.14 1b4q h LEU 85 CO 0.01 -0.61 -0.20 -0.37 -0.62 0.00 0.00 178.44 176.66 1b4q h VAL 86 N -0.88 0.42 -1.14 1.05 -1.51 -1.55 0.29 116.25 112.93 1b4q h VAL 86 Ca -0.03 0.00 0.34 0.00 -1.23 0.00 0.00 66.70 65.78 1b4q h VAL 86 Cb 0.81 0.42 -0.12 0.00 -2.13 0.00 0.00 31.29 30.27 1b4q h VAL 86 CO -0.13 0.00 0.72 0.28 -1.23 0.00 0.00 177.57 177.21 1b4q h SER 87 N -0.13 0.38 0.16 4.19 0.02 -1.30 0.16 113.55 117.04 1b4q h SER 87 Ca 0.19 0.12 -0.26 0.00 -0.84 0.00 0.00 61.79 61.00 1b4q h SER 87 Cb 0.43 0.08 0.03 0.00 0.14 0.00 0.00 62.40 63.07 1b4q h SER 87 CO -0.47 -0.05 -1.12 -0.07 -1.14 0.00 0.00 176.83 173.97 1b4q h LEU 88 N 0.26 0.71 0.57 5.07 3.38 -0.21 -2.97 115.31 122.12 1b4q h LEU 88 Ca 0.70 -0.89 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1b4q h LEU 88 Cb 1.94 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.46 1b4q h LEU 88 CO -0.39 1.54 -0.36 -0.61 0.09 0.00 0.00 178.44 178.70 1b4q h GLN 89 N -0.01 -0.86 0.00 1.13 -0.00 0.10 0.67 115.11 116.15 1b4q h GLN 89 Ca -0.19 0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.51 1b4q h GLN 89 Cb 1.85 0.19 -0.00 0.00 0.00 0.00 0.00 27.48 29.53 1b4q h GLN 89 CO 0.21 -0.57 -0.06 -0.56 0.00 0.00 0.00 178.83 177.85 1b4q h GLN 90 N -0.89 0.00 0.00 1.69 3.07 -1.51 -0.04 115.11 117.43 1b4q h GLN 90 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 1b4q h GLN 90 Cb 0.73 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.29 1b4q h GLN 90 CO 0.06 0.06 -0.23 0.77 0.09 0.00 0.00 178.83 179.58 1b4q h SER 91 N 0.00 0.00 0.00 0.06 0.02 -1.14 -3.47 113.55 109.02 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 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1b4q h SER 91 CO 0.01 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.35 1b4q n GLY 92 N 1.13 1.94 0.23 -3.77 0.00 0.23 -4.85 105.19 100.10 1b4q n GLY 92 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 2.73 0.00 0.30 1.61 4.81 -1.71 -3.09 114.58 119.23 1b4q h GLU 93 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1b4q h GLU 93 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1b4q h GLU 93 CO 0.00 0.20 -0.14 1.25 -0.73 0.00 0.00 179.01 179.59 1b4q h LEU 94 N 0.00 -0.34 -1.97 1.64 5.85 -1.81 -1.50 115.31 117.18 1b4q h LEU 94 Ca -0.00 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.92 1b4q h LEU 94 Cb 0.60 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 1b4q h LEU 94 CO 0.03 -0.23 0.54 0.17 -0.34 0.00 0.00 178.44 178.61 1b4q h LEU 95 N -0.43 0.00 -0.14 2.25 8.10 -1.85 0.43 115.31 123.68 1b4q h LEU 95 Ca -0.04 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.94 1b4q h LEU 95 Cb 0.30 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 1b4q h LEU 95 CO 0.07 0.00 0.03 0.74 -4.11 0.00 0.00 178.44 175.17 1b4q h THR 96 N 0.00 1.20 -0.49 0.15 2.02 -1.40 0.49 112.91 114.87 1b4q h THR 96 Ca 0.31 -0.62 0.03 0.00 0.77 0.00 0.00 66.41 66.90 1b4q h THR 96 Cb 1.39 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1b4q h THR 96 CO -0.00 0.19 0.33 -0.09 0.37 0.00 0.00 175.52 176.31 1b4q h ARG 97 N 0.02 0.53 -0.32 6.66 9.65 0.89 0.56 114.38 132.37 1b4q h ARG 97 Ca 0.04 -0.03 -0.18 0.00 -1.10 0.00 0.00 59.98 58.71 1b4q h ARG 97 Cb 0.26 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1b4q h ARG 97 CO 0.00 0.35 -0.51 -0.07 2.80 0.00 0.00 179.97 182.54 1b4q h LEU 98 N 0.54 0.99 0.47 3.80 4.07 -0.62 -3.26 115.31 121.31 1b4q h LEU 98 Ca 0.20 -0.51 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 1b4q h LEU 98 Cb 0.12 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.58 1b4q h LEU 98 CO -0.05 1.32 -0.22 0.50 -1.08 0.00 0.00 178.44 178.90 1b4q h LYS 99 N 0.70 -0.61 -0.90 1.13 3.64 0.20 0.82 116.57 121.56 1b4q h LYS 99 Ca 0.03 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.71 1b4q h LYS 99 Cb 1.12 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 1b4q h LYS 99 CO 0.12 -0.32 0.68 -0.56 -2.27 0.00 0.00 179.45 177.10 1b4q h GLN 100 N -0.82 0.00 0.00 1.90 3.07 -1.18 0.16 115.11 118.25 1b4q h GLN 100 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.68 1b4q h GLN 100 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 1b4q h GLN 100 CO 0.11 0.00 -1.85 0.44 0.09 0.00 0.00 178.83 177.61 1b4q n ILE 101 N -4.14 0.00 -2.01 1.86 -5.35 -1.12 -5.00 119.36 103.61 1b4q n ILE 101 Ca 0.19 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 1b4q n ILE 101 Cb 1.00 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.35 0.94 0.06 3.28 0.00 0.24 -4.59 105.19 106.47 1b4q n GLY 102 Ca -0.03 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.96 2.75 -2.00 4.61 0.00 0.12 -4.87 120.51 119.15 1b4q n ALA 103 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.04 1b4q n ALA 103 Cb 0.41 -1.29 0.08 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.98 3.10 0.00 0.00 2.34 -1.26 -2.66 118.68 116.22 1b4q s LEU 104 Ca 0.09 -0.43 0.29 0.00 0.06 0.00 0.00 54.13 54.14 1b4q s LEU 104 Cb 0.14 -2.08 1.74 0.00 -0.56 0.00 0.00 46.19 45.43 1b4q s LEU 104 CO 0.66 -1.55 2.07 0.00 -1.06 0.00 0.00 176.35 176.47