#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 0.04 0.00 7.27 -1.26 -1.57 117.38 121.87 1b4q n GLN 2 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 1b4q n GLN 2 Cb 0.00 0.00 0.12 0.00 2.41 0.00 0.00 30.24 32.77 1b4q n GLN 2 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1b4q n GLU 3 N 0.00 0.03 0.02 3.69 1.02 -1.26 -2.34 120.64 121.80 1b4q n GLU 3 Ca 0.00 0.42 -0.01 0.00 -0.02 0.00 0.00 57.16 57.56 1b4q n GLU 3 Cb 0.00 -1.75 -0.00 0.00 -0.02 0.00 0.00 31.44 29.67 1b4q n GLU 3 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1b4q h PHE 4 N 0.00 -0.05 -0.13 -0.32 -1.00 -1.71 -1.95 116.94 111.78 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 0.31 0.02 0.01 0.00 3.61 0.00 0.00 35.95 39.90 1b4q h PHE 4 CO 0.00 -0.03 -0.79 -0.39 -1.61 0.00 0.00 178.31 175.49 1b4q h VAL 5 N -0.07 1.29 -0.89 -0.55 -1.51 -1.80 -3.08 116.25 109.65 1b4q h VAL 5 Ca -0.01 -2.02 0.10 0.00 -1.23 0.00 0.00 66.70 63.54 1b4q h VAL 5 Cb 0.04 2.03 -0.07 0.00 -2.13 0.00 0.00 31.29 31.17 1b4q h VAL 5 CO 0.01 0.64 0.57 0.78 -1.23 0.00 0.00 177.57 178.34 1b4q h ASN 6 N 0.49 0.78 0.90 4.19 4.21 -1.59 0.61 115.58 125.17 1b4q h ASN 6 Ca -0.05 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 1b4q h ASN 6 Cb 1.41 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 1b4q h ASN 6 CO 0.16 0.45 0.00 -1.20 -1.29 0.00 0.00 177.43 175.55 1b4q n SER 7 N -4.54 0.32 -0.11 5.81 7.64 -0.73 -3.64 113.62 118.37 1b4q n SER 7 Ca 0.15 0.55 -0.24 0.00 1.01 0.00 0.00 58.87 60.35 1b4q n SER 7 Cb 0.33 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.78 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 -1.82 0.63 -2.67 1.43 5.02 0.18 -4.92 118.16 116.00 1b4q n LYS 8 Ca 0.05 0.27 -0.40 0.00 -2.02 0.00 0.00 58.31 56.20 1b4q n LYS 8 Cb 0.29 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 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 4.00 -0.13 -0.18 -4.36 0.39 -4.92 121.20 113.51 1b4q s ILE 9 Ca -0.34 1.93 -0.10 0.00 -0.26 0.00 0.00 60.65 61.88 1b4q s ILE 9 Cb 0.11 -4.23 0.04 0.00 1.25 0.00 0.00 42.46 39.62 1b4q s ILE 9 CO 0.58 0.43 0.33 -1.58 0.24 0.00 0.00 174.94 174.94 1b4q s GLN 10 N -1.01 0.36 0.13 0.37 0.74 -1.26 -4.86 119.66 114.13 1b4q s GLN 10 Ca 0.43 0.53 -0.35 0.00 0.05 0.00 0.00 55.36 56.02 1b4q s GLN 10 Cb -0.27 0.11 -0.16 0.00 1.10 0.00 0.00 33.01 33.79 1b4q s GLN 10 CO 0.34 -0.08 1.34 -2.30 -0.55 0.00 0.00 175.29 174.04 1b4q n PRO 11 N 3.34 1.40 -1.10 1.67 -0.02 -1.26 -0.15 135.00 138.88 1b4q n PRO 11 Ca -0.17 0.50 -0.01 0.00 -2.02 0.00 0.00 63.50 61.80 1b4q n PRO 11 Cb 0.57 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.52 0.46 2.85 -1.23 0.00 -1.26 -4.95 105.19 103.57 1b4q n GLY 12 Ca 0.17 -1.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.22 0.28 -0.15 1.61 2.20 0.79 -4.69 119.74 117.55 1b4q s LYS 13 Ca 0.00 0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.56 1b4q s LYS 13 Cb 0.00 -0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 35.88 1b4q s LYS 13 CO 0.00 -0.07 0.11 0.08 -0.36 0.00 0.00 175.35 175.11 1b4q s VAL 14 N 0.68 5.24 -0.03 4.02 1.01 -0.82 -1.82 120.40 128.69 1b4q s VAL 14 Ca -0.07 0.12 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1b4q s VAL 14 Cb -0.10 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1b4q s VAL 14 CO -0.01 0.54 0.11 0.54 0.00 0.00 0.00 175.10 176.28 1b4q s VAL 15 N -0.39 0.03 -0.09 2.92 0.11 -1.23 -2.87 120.40 118.87 1b4q s VAL 15 Ca 0.11 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 1b4q s VAL 15 Cb -0.12 -0.23 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 1b4q s VAL 15 CO 0.01 -0.12 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.81 1b4q s VAL 16 N -0.36 1.54 -0.35 2.04 1.01 -1.14 -2.18 120.40 120.96 1b4q s VAL 16 Ca -0.04 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 1b4q s VAL 16 Cb -0.03 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.96 1b4q s VAL 16 CO 0.00 0.45 0.47 -0.36 0.00 0.00 0.00 175.10 175.66 1b4q s PHE 17 N 0.71 3.19 0.14 5.22 0.40 -1.15 0.22 117.98 126.71 1b4q s PHE 17 Ca -0.12 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1b4q s PHE 17 Cb -0.16 -2.86 -0.00 0.00 0.51 0.00 0.00 43.02 40.51 1b4q s PHE 17 CO 0.03 -0.52 0.02 0.44 0.70 0.00 0.00 175.22 175.89 1b4q n ILE 18 N 5.38 0.00 -3.40 0.64 -5.35 -0.08 -2.85 119.36 113.69 1b4q n ILE 18 Ca -0.06 -0.73 -0.20 0.00 -0.27 0.00 0.00 62.75 61.49 1b4q n ILE 18 Cb 0.49 0.21 -0.10 0.00 -1.74 0.00 0.00 39.64 38.50 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 -2.51 0.47 -0.48 6.28 1.02 -1.26 -2.70 119.74 120.56 1b4q s LYS 19 Ca 0.03 -0.64 -0.13 0.00 0.02 0.00 0.00 55.97 55.26 1b4q s LYS 19 Cb 0.00 -0.82 -0.11 0.00 -0.52 0.00 0.00 37.83 36.38 1b4q s LYS 19 CO 0.02 -1.12 1.49 -2.30 -0.92 0.00 0.00 175.35 172.52 1b4q n PRO 20 N 4.69 0.04 0.00 -1.68 -0.02 -1.26 -2.21 135.00 134.56 1b4q n PRO 20 Ca 0.05 -0.77 0.00 0.00 -2.02 0.00 0.00 63.50 60.76 1b4q n PRO 20 Cb 0.44 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 6.56 0.00 -3.60 3.45 -1.04 -1.26 -5.12 114.28 113.28 1b4q n THR 21 Ca 0.19 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.83 1b4q n THR 21 Cb 0.48 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.90 1b4q n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b4q h PRO 23 N 7.55 0.00 -0.01 0.00 0.11 -1.99 -2.68 132.00 134.98 1b4q h PRO 23 Ca -0.37 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.73 1b4q h PRO 23 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1b4q h PRO 23 CO 0.66 0.00 -0.01 1.88 -0.21 0.00 0.00 178.00 180.32 1b4q h TYR 24 N 0.00 0.03 -0.31 0.65 -1.99 -1.93 -2.14 116.97 111.28 1b4q h TYR 24 Ca 0.00 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1b4q h TYR 24 Cb 0.28 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 1b4q h TYR 24 CO 0.00 0.52 0.21 0.77 -0.00 0.00 0.00 178.16 179.65 1b4q h SER 25 N -0.46 0.36 -0.69 3.88 0.02 -1.66 -0.55 113.55 114.45 1b4q h SER 25 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1b4q h SER 25 Cb 0.51 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1b4q h SER 25 CO 0.00 0.26 0.40 0.03 -1.14 0.00 0.00 176.83 176.38 1b4q h ARG 26 N 0.42 0.94 -0.43 3.45 2.47 -1.46 -1.74 114.38 118.02 1b4q h ARG 26 Ca 0.12 -0.09 0.07 0.00 -1.26 0.00 0.00 59.98 58.81 1b4q h ARG 26 Cb -0.04 -0.19 -0.06 0.00 -1.65 0.00 0.00 29.97 28.03 1b4q h ARG 26 CO -0.03 0.68 0.09 0.00 0.56 0.00 0.00 179.97 181.27 1b4q h ARG 27 N 0.94 0.21 -0.66 0.04 3.08 -0.43 0.34 114.38 117.90 1b4q h ARG 27 Ca 0.24 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.31 1b4q h ARG 27 Cb -0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1b4q h ARG 27 CO -0.04 0.14 0.43 0.00 -1.07 0.00 0.00 179.97 179.43 1b4q h ALA 28 N 1.33 1.62 -0.30 0.04 0.00 -1.22 0.31 119.26 121.04 1b4q h ALA 28 Ca 0.21 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1b4q h ALA 28 Cb 0.27 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1b4q h ALA 28 CO -0.28 0.31 -0.34 1.96 0.00 0.00 0.00 179.25 180.90 1b4q h GLN 29 N 0.80 0.77 -0.21 0.00 4.20 0.01 -2.13 115.11 118.55 1b4q h GLN 29 Ca 0.26 -0.42 -0.19 0.00 0.06 0.00 0.00 58.65 58.36 1b4q h GLN 29 Cb 0.05 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1b4q h GLN 29 CO -0.07 1.05 -0.64 0.93 -0.67 0.00 0.00 178.83 179.42 1b4q h GLU 30 N 0.53 0.75 0.17 1.46 5.08 0.49 -2.44 114.58 120.61 1b4q h GLU 30 Ca 0.04 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1b4q h GLU 30 Cb 0.93 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1b4q h GLU 30 CO 0.08 1.15 -0.08 0.97 -1.00 0.00 0.00 179.01 180.13 1b4q h ILE 31 N 0.55 0.67 0.00 3.13 -0.00 -0.45 -3.14 117.51 118.28 1b4q h ILE 31 Ca -0.01 -1.12 -0.00 0.00 -0.00 0.00 0.00 64.86 63.73 1b4q h ILE 31 Cb 1.24 1.16 -0.00 0.00 -0.00 0.00 0.00 36.82 39.23 1b4q h ILE 31 CO 0.13 0.19 -0.00 -0.07 -0.00 0.00 0.00 178.15 178.40 1b4q h LEU 32 N -0.94 0.00 -1.41 2.19 3.38 -1.51 -0.32 115.31 116.71 1b4q h LEU 32 Ca -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1b4q h LEU 32 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1b4q h LEU 32 CO 0.04 0.00 -0.28 0.28 0.09 0.00 0.00 178.44 178.57 1b4q h SER 33 N 0.00 0.02 -0.27 -0.43 0.02 -1.38 -2.27 113.55 109.24 1b4q h SER 33 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1b4q h SER 33 Cb 0.00 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1b4q h SER 33 CO 0.00 0.30 0.00 0.00 -1.14 0.00 0.00 176.83 175.99 1b4q n GLN 34 N -4.20 2.06 -3.15 3.45 3.00 -0.13 -4.88 117.38 113.52 1b4q n GLN 34 Ca -0.02 -1.60 -0.39 0.00 -0.01 0.00 0.00 57.00 54.98 1b4q n GLN 34 Cb 0.33 -1.44 -0.05 0.00 0.00 0.00 0.00 30.24 29.08 1b4q n GLN 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1b4q s LEU 35 N -1.51 4.36 -0.54 1.08 1.43 -0.86 -4.93 118.68 117.71 1b4q s LEU 35 Ca 0.34 1.12 -0.09 0.00 -1.03 0.00 0.00 54.13 54.48 1b4q s LEU 35 Cb 0.19 -2.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.38 1b4q s LEU 35 CO 0.28 -0.00 1.71 -0.81 0.23 0.00 0.00 176.35 177.76 1b4q n PRO 36 N 3.30 1.20 -2.71 1.29 -0.04 -1.26 -4.89 135.00 131.88 1b4q n PRO 36 Ca -0.05 -1.20 -0.35 0.00 -0.04 0.00 0.00 63.50 61.86 1b4q n PRO 36 Cb 0.51 -2.40 -0.06 0.00 -0.04 0.00 0.00 33.50 31.52 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 4.45 4.10 0.42 0.52 -1.09 -1.26 -2.51 121.20 125.83 1b4q s ILE 37 Ca 0.33 1.53 -0.06 0.00 -2.23 0.00 0.00 60.65 60.23 1b4q s ILE 37 Cb 0.08 -3.75 0.10 0.00 -1.58 0.00 0.00 42.46 37.30 1b4q s ILE 37 CO 0.03 -0.06 0.21 0.29 -1.23 0.00 0.00 174.94 174.19 1b4q n LYS 38 N -0.09 -1.46 0.00 2.79 5.02 -1.16 -4.81 118.16 118.45 1b4q n LYS 38 Ca 0.05 -0.36 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1b4q n LYS 38 Cb 0.51 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 34.94 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 -1.98 0.00 -0.18 1.97 6.02 -1.26 -3.90 117.38 118.05 1b4q n GLN 39 Ca 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.00 1b4q n GLN 39 Cb 0.15 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.38 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 1.31 0.11 1.08 0.00 -1.26 -3.62 105.19 102.82 1b4q n GLY 40 Ca 0.00 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 0.92 -4.76 0.99 7.94 -1.25 -4.90 117.00 118.71 1b4q n LEU 41 Ca 0.07 -0.03 -0.37 0.00 -1.11 0.00 0.00 56.01 54.57 1b4q n LEU 41 Cb 0.16 0.06 -0.06 0.00 0.53 0.00 0.00 43.42 44.11 1b4q n LEU 41 CO 0.19 0.63 0.06 -0.22 -1.11 0.00 0.00 177.39 176.94 1b4q s LEU 42 N -5.82 4.31 0.26 -1.96 2.96 -1.24 -1.93 118.68 115.26 1b4q s LEU 42 Ca -0.17 0.70 0.01 0.00 -0.22 0.00 0.00 54.13 54.44 1b4q s LEU 42 Cb 0.07 -2.50 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 1b4q s LEU 42 CO 0.76 0.14 0.25 -0.70 -1.32 0.00 0.00 176.35 175.48 1b4q s GLU 43 N 0.09 1.50 -0.16 1.98 2.56 -1.14 -5.03 118.70 118.50 1b4q s GLU 43 Ca 0.21 -1.74 -0.03 0.00 0.00 0.00 0.00 54.97 53.41 1b4q s GLU 43 Cb -0.14 0.33 0.05 0.00 2.00 0.00 0.00 34.13 36.37 1b4q s GLU 43 CO 0.08 -0.55 0.05 -0.06 -0.56 0.00 0.00 175.26 174.22 1b4q s PHE 44 N -3.78 0.67 -0.52 5.30 0.08 -1.26 -2.88 117.98 115.60 1b4q s PHE 44 Ca 0.37 -0.53 -0.18 0.00 0.12 0.00 0.00 56.93 56.71 1b4q s PHE 44 Cb 0.04 -0.86 0.08 0.00 -0.57 0.00 0.00 43.02 41.70 1b4q s PHE 44 CO 0.18 -0.52 0.57 0.08 -0.10 0.00 0.00 175.22 175.43 1b4q s VAL 45 N 1.98 4.99 -0.78 -0.44 1.01 0.61 -4.92 120.40 122.85 1b4q s VAL 45 Ca 0.01 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1b4q s VAL 45 Cb -0.16 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 31.98 1b4q s VAL 45 CO -0.08 -0.81 1.22 -1.81 0.00 0.00 0.00 175.10 173.63 1b4q s ASP 46 N 2.90 6.25 0.00 3.32 1.11 -1.26 -0.91 116.67 128.09 1b4q s ASP 46 Ca 0.11 -0.87 0.02 0.00 0.18 0.00 0.00 52.55 51.99 1b4q s ASP 46 Cb -0.22 -2.52 0.12 0.00 1.07 0.00 0.00 42.92 41.37 1b4q s ASP 46 CO 0.09 -1.63 0.52 2.30 1.18 0.00 0.00 175.17 177.63 1b4q n ILE 47 N 6.29 0.00 0.32 0.77 -5.35 -1.10 -0.61 119.36 119.68 1b4q n ILE 47 Ca 0.08 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.67 1b4q n ILE 47 Cb 0.48 -0.86 -0.01 0.00 -1.74 0.00 0.00 39.64 37.51 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 -0.90 0.29 1.77 7.28 -2.24 -1.26 -3.29 114.28 115.92 1b4q n THR 48 Ca 0.01 -0.39 0.04 0.00 -2.27 0.00 0.00 64.05 61.45 1b4q n THR 48 Cb 0.01 -0.01 0.23 0.00 -2.10 0.00 0.00 70.33 68.45 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 -2.01 2.43 -0.72 6.98 0.00 0.22 -3.25 120.51 124.16 1b4q n ALA 49 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1b4q n ALA 49 Cb 0.50 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.64 0.00 -4.67 0.00 5.66 -1.25 -5.12 114.28 108.26 1b4q n THR 50 Ca 0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1b4q n THR 50 Cb 0.03 1.42 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 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 -0.35 -0.42 1.09 5.15 -1.20 -4.77 115.26 114.76 1b4q n ASN 51 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 1b4q n ASN 51 Cb 0.15 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.38 1b4q n ASN 51 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 1b4q n HIS 52 N 0.00 -0.14 -0.34 1.20 -0.00 -1.26 -4.75 115.22 109.93 1b4q n HIS 52 Ca 0.00 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.13 1b4q n HIS 52 Cb 0.00 -1.67 -0.01 0.00 -0.12 0.00 0.00 29.99 28.19 1b4q n HIS 52 CO 0.00 0.00 0.00 1.79 0.46 0.00 0.00 176.34 178.59 1b4q h THR 53 N 0.00 0.03 -0.93 3.57 1.35 -1.86 0.48 112.91 115.55 1b4q h THR 53 Ca -0.08 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 65.97 1b4q h THR 53 Cb 0.63 0.03 -0.08 0.00 -1.73 0.00 0.00 68.15 67.00 1b4q h THR 53 CO 0.11 0.00 0.60 0.78 -0.25 0.00 0.00 175.52 176.76 1b4q h ASN 54 N -0.06 0.57 -0.32 5.36 -0.26 -1.94 0.44 115.58 119.37 1b4q h ASN 54 Ca 0.26 0.06 -0.05 0.00 -0.56 0.00 0.00 56.30 56.01 1b4q h ASN 54 Cb 0.55 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1b4q h ASN 54 CO -0.89 0.24 0.02 -0.33 -1.06 0.00 0.00 177.43 175.40 1b4q h GLU 55 N 0.57 0.55 0.16 0.81 4.39 -0.41 0.29 114.58 120.94 1b4q h GLU 55 Ca 0.49 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 1b4q h GLU 55 Cb 0.99 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1b4q h GLU 55 CO -0.24 0.67 -0.08 0.82 -1.16 0.00 0.00 179.01 179.03 1b4q h ILE 56 N 0.35 0.96 -0.70 3.13 5.03 -0.53 0.73 117.51 126.49 1b4q h ILE 56 Ca 0.09 -0.74 0.07 0.00 -0.12 0.00 0.00 64.86 64.16 1b4q h ILE 56 Cb 0.41 1.40 -0.06 0.00 -3.03 0.00 0.00 36.82 35.55 1b4q h ILE 56 CO 0.01 0.17 0.39 1.56 -0.68 0.00 0.00 178.15 179.60 1b4q h GLN 57 N -0.59 0.67 -0.70 2.37 4.20 -0.99 1.88 115.11 121.95 1b4q h GLN 57 Ca -0.02 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.76 1b4q h GLN 57 Cb 0.44 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1b4q h GLN 57 CO 0.04 0.45 0.47 -0.44 -0.67 0.00 0.00 178.83 178.67 1b4q h ASP 58 N 0.69 0.44 0.02 1.46 3.32 -0.24 0.22 116.42 122.34 1b4q h ASP 58 Ca 0.32 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.35 1b4q h ASP 58 Cb 0.24 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1b4q h ASP 58 CO -0.21 0.25 -0.16 0.22 -1.72 0.00 0.00 179.24 177.62 1b4q h TYR 59 N 0.48 0.12 -0.89 4.55 5.03 0.34 -3.06 116.97 123.53 1b4q h TYR 59 Ca 0.33 -0.08 0.21 0.00 2.58 0.00 0.00 58.73 61.77 1b4q h TYR 59 Cb 0.64 -0.01 -0.06 0.00 1.55 0.00 0.00 36.73 38.85 1b4q h TYR 59 CO -0.00 1.01 0.60 -0.07 -1.32 0.00 0.00 178.16 178.37 1b4q h LEU 60 N -0.80 0.36 0.79 2.82 3.38 0.34 0.46 115.31 122.66 1b4q h LEU 60 Ca -0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1b4q h LEU 60 Cb 1.07 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.80 1b4q h LEU 60 CO 0.03 0.14 -0.38 -0.61 0.09 0.00 0.00 178.44 177.71 1b4q h GLN 61 N 0.36 -1.02 -0.27 1.13 5.75 -0.61 -0.83 115.11 119.63 1b4q h GLN 61 Ca 0.46 0.07 -0.12 0.00 -0.15 0.00 0.00 58.65 58.91 1b4q h GLN 61 Cb 1.22 0.23 -0.01 0.00 1.07 0.00 0.00 27.48 29.99 1b4q h GLN 61 CO -0.16 -0.67 -0.32 0.37 -2.65 0.00 0.00 178.83 175.40 1b4q h GLN 62 N -1.12 0.56 -0.13 1.69 4.15 -1.08 0.50 115.11 119.68 1b4q h GLN 62 Ca -0.11 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 1b4q h GLN 62 Cb 0.82 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 1b4q h GLN 62 CO 0.18 0.82 0.04 1.25 -1.93 0.00 0.00 178.83 179.19 1b4q h LEU 63 N 0.48 0.19 0.00 -2.39 5.85 -0.09 -3.41 115.31 115.95 1b4q h LEU 63 Ca 0.06 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1b4q h LEU 63 Cb 0.80 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1b4q h LEU 63 CO 0.06 0.34 -0.28 0.35 -0.34 0.00 0.00 178.44 178.57 1b4q n THR 64 N -4.86 1.09 0.00 1.05 -2.24 -0.33 -5.03 114.28 103.95 1b4q n THR 64 Ca -0.05 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 1b4q n THR 64 Cb 0.14 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 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 2.80 0.41 3.89 3.38 0.00 0.17 -5.01 105.19 110.83 1b4q n GLY 65 Ca -0.04 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 3.89 -0.20 4.61 0.00 -1.26 -4.51 121.76 124.29 1b4q s ALA 66 Ca 0.00 -0.65 0.15 0.00 0.00 0.00 0.00 51.96 51.46 1b4q s ALA 66 Cb 0.00 -1.98 0.59 0.00 0.00 0.00 0.00 23.12 21.73 1b4q s ALA 66 CO 0.00 0.67 1.50 2.89 0.00 0.00 0.00 175.76 180.82 1b4q n ARG 67 N 1.34 3.19 -1.08 0.00 0.00 -1.26 -4.25 116.66 114.60 1b4q n ARG 67 Ca -0.14 -2.93 -0.30 0.00 -0.00 0.00 0.00 57.85 54.48 1b4q n ARG 67 Cb 0.53 -1.93 0.16 0.00 -0.00 0.00 0.00 32.46 31.22 1b4q n ARG 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1b4q s THR 68 N -2.86 2.47 -0.16 8.89 2.01 -1.26 -4.94 115.64 119.78 1b4q s THR 68 Ca 0.45 0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.55 1b4q s THR 68 Cb 0.36 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 1b4q s THR 68 CO 0.10 -0.20 0.03 -0.69 -0.69 0.00 0.00 174.62 173.16 1b4q s VAL 69 N -2.86 4.48 0.00 3.82 1.01 -1.26 -3.91 120.40 121.68 1b4q s VAL 69 Ca 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1b4q s VAL 69 Cb -0.19 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1b4q s VAL 69 CO 0.58 0.49 0.00 -0.81 0.00 0.00 0.00 175.10 175.36 1b4q n PRO 70 N 3.37 0.73 -3.30 2.72 -0.04 -1.26 -4.28 135.00 132.94 1b4q n PRO 70 Ca -0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.20 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 -1.37 0.65 0.54 0.54 6.06 -1.13 -4.15 118.95 120.09 1b4q s ARG 71 Ca 0.00 -0.45 -0.12 0.00 -2.50 0.00 0.00 55.73 52.66 1b4q s ARG 71 Cb 0.00 -0.37 -0.06 0.00 0.06 0.00 0.00 34.95 34.58 1b4q s ARG 71 CO 0.00 -1.16 0.95 0.08 -2.50 0.00 0.00 175.30 172.68 1b4q s VAL 72 N 1.82 4.68 -0.36 7.11 1.01 -0.66 -2.93 120.40 131.06 1b4q s VAL 72 Ca 0.15 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1b4q s VAL 72 Cb -0.11 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.61 1b4q s VAL 72 CO -0.11 -0.88 0.23 -0.36 0.00 0.00 0.00 175.10 173.99 1b4q s PHE 73 N -2.83 0.78 -0.28 5.22 0.40 -0.93 -3.39 117.98 116.96 1b4q s PHE 73 Ca 0.55 -1.74 -0.29 0.00 -0.60 0.00 0.00 56.93 54.85 1b4q s PHE 73 Cb -0.10 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.49 1b4q s PHE 73 CO 0.42 -0.83 1.52 0.42 0.70 0.00 0.00 175.22 177.45 1b4q s ILE 74 N 0.91 3.83 0.00 0.64 -1.09 -0.89 -3.56 121.20 121.03 1b4q s ILE 74 Ca 0.20 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.54 1b4q s ILE 74 Cb -0.19 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1b4q s ILE 74 CO -0.02 -0.41 0.00 0.61 -1.23 0.00 0.00 174.94 173.88 1b4q n GLY 75 N 4.68 0.99 0.15 6.18 0.00 -0.76 -1.29 105.19 115.14 1b4q n GLY 75 Ca 0.18 -0.70 0.15 0.00 0.00 0.00 0.00 46.02 45.64 1b4q n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b4q n LYS 76 N 0.00 1.20 -2.88 1.61 5.02 -1.26 -4.59 118.16 117.26 1b4q n LYS 76 Ca 0.00 -0.29 -0.43 0.00 -2.02 0.00 0.00 58.31 55.57 1b4q n LYS 76 Cb 0.00 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.48 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 -1.97 6.46 0.33 4.39 1.11 -0.41 -5.03 116.67 121.55 1b4q s ASP 77 Ca 0.44 0.02 -0.27 0.00 0.18 0.00 0.00 52.55 52.92 1b4q s ASP 77 Cb 0.21 -2.42 -0.09 0.00 1.07 0.00 0.00 42.92 41.68 1b4q s ASP 77 CO 0.35 -1.00 1.09 -0.55 1.18 0.00 0.00 175.17 176.24 1b4q s SER 78 N 2.21 7.04 -0.05 0.27 0.15 -1.26 -2.10 113.70 119.96 1b4q s SER 78 Ca 0.34 2.20 0.13 0.00 0.70 0.00 0.00 55.95 59.32 1b4q s SER 78 Cb -0.11 -2.61 -0.20 0.00 -1.71 0.00 0.00 66.02 61.39 1b4q s SER 78 CO 0.25 -0.30 0.23 2.30 1.20 0.00 0.00 173.24 176.92 1b4q n ILE 79 N 0.68 0.25 0.00 6.45 -5.35 -1.22 -4.92 119.36 115.25 1b4q n ILE 79 Ca 0.01 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1b4q n ILE 79 Cb 0.47 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 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 1.85 0.53 0.00 3.28 0.00 -1.26 -4.74 105.19 104.84 1b4q n GLY 80 Ca -0.08 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 2.36 0.24 -0.02 0.00 -1.26 -1.66 105.19 104.85 1b4q n GLY 81 Ca 0.00 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.45 -0.36 1.61 0.87 -1.81 -2.16 113.55 111.25 1b4q h SER 82 Ca 0.00 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.68 1b4q h SER 82 Cb 0.00 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1b4q h SER 82 CO 0.00 -0.04 0.51 -1.28 -0.53 0.00 0.00 176.83 175.49 1b4q h SER 83 N -1.09 0.00 0.02 6.23 0.87 -1.95 -0.06 113.55 117.57 1b4q h SER 83 Ca -0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1b4q h SER 83 Cb 0.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1b4q h SER 83 CO 0.09 0.00 -0.01 -0.78 -0.53 0.00 0.00 176.83 175.60 1b4q h ASP 84 N 0.00 -0.03 0.08 6.23 1.82 -1.88 -2.99 116.42 119.65 1b4q h ASP 84 Ca 0.17 -0.72 0.02 0.00 -0.39 0.00 0.00 57.03 56.11 1b4q h ASP 84 Cb 1.19 0.01 -0.05 0.00 0.68 0.00 0.00 39.33 41.16 1b4q h ASP 84 CO -0.00 0.76 -0.49 0.25 -1.61 0.00 0.00 179.24 178.15 1b4q h LEU 85 N -0.87 -1.47 -0.27 2.28 6.46 -0.33 -2.40 115.31 118.71 1b4q h LEU 85 Ca -0.00 0.16 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1b4q h LEU 85 Cb 0.74 0.55 -0.08 0.00 -0.73 0.00 0.00 40.66 41.15 1b4q h LEU 85 CO 0.01 -0.52 -0.30 -0.37 -0.62 0.00 0.00 178.44 176.63 1b4q h VAL 86 N -0.69 0.29 -1.18 1.05 -1.51 -1.60 0.28 116.25 112.90 1b4q h VAL 86 Ca 0.01 0.00 0.36 0.00 -1.23 0.00 0.00 66.70 65.85 1b4q h VAL 86 Cb 0.72 0.29 -0.12 0.00 -2.13 0.00 0.00 31.29 30.06 1b4q h VAL 86 CO -0.30 0.00 0.75 0.28 -1.23 0.00 0.00 177.57 177.07 1b4q h SER 87 N -0.30 0.35 0.16 4.19 0.02 -1.29 0.13 113.55 116.82 1b4q h SER 87 Ca 0.14 0.13 -0.23 0.00 -0.84 0.00 0.00 61.79 60.99 1b4q h SER 87 Cb 0.52 0.09 0.02 0.00 0.14 0.00 0.00 62.40 63.17 1b4q h SER 87 CO -0.44 -0.09 -1.03 -0.07 -1.14 0.00 0.00 176.83 174.06 1b4q h LEU 88 N 0.21 0.54 0.60 5.07 3.38 -0.12 -3.17 115.31 121.82 1b4q h LEU 88 Ca 0.73 -0.94 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1b4q h LEU 88 Cb 2.10 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 42.68 1b4q h LEU 88 CO -0.41 1.49 -0.29 -0.61 0.09 0.00 0.00 178.44 178.71 1b4q h GLN 89 N -0.26 -0.78 -0.03 1.13 5.75 0.17 0.98 115.11 122.08 1b4q h GLN 89 Ca -0.19 0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1b4q h GLN 89 Cb 1.77 0.18 -0.00 0.00 1.07 0.00 0.00 27.48 30.50 1b4q h GLN 89 CO 0.17 -0.50 0.03 -0.56 -2.65 0.00 0.00 178.83 175.32 1b4q h GLN 90 N -0.86 0.00 0.04 1.69 3.07 -1.44 -2.82 115.11 114.79 1b4q h GLN 90 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 1b4q h GLN 90 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.20 1b4q h GLN 90 CO 0.14 0.00 -0.02 0.77 0.09 0.00 0.00 178.83 179.81 1b4q h SER 91 N 0.00 -0.04 0.00 0.06 0.02 -1.36 -3.49 113.55 108.74 1b4q h SER 91 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1b4q h SER 91 Cb 0.07 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1b4q h SER 91 CO -0.00 0.41 0.00 0.61 -1.14 0.00 0.00 176.83 176.71 1b4q n GLY 92 N 1.66 0.78 0.21 -3.77 0.00 0.33 -4.98 105.19 99.42 1b4q n GLY 92 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1b4q n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1b4q h GLU 93 N 0.00 0.00 0.78 1.61 4.57 -1.82 -3.15 114.58 116.57 1b4q h GLU 93 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1b4q h GLU 93 Cb 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1b4q h GLU 93 CO 0.00 0.31 -0.37 1.25 -1.18 0.00 0.00 179.01 179.02 1b4q h LEU 94 N 0.00 -0.89 -2.01 1.64 5.85 -1.88 -0.72 115.31 117.30 1b4q h LEU 94 Ca -0.00 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.90 1b4q h LEU 94 Cb 0.75 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1b4q h LEU 94 CO 0.04 -0.63 0.41 0.17 -0.34 0.00 0.00 178.44 178.09 1b4q h LEU 95 N -1.05 0.00 -0.03 2.25 8.10 -1.85 0.20 115.31 122.93 1b4q h LEU 95 Ca -0.11 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.88 1b4q h LEU 95 Cb 0.80 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.02 1b4q h LEU 95 CO 0.18 0.00 0.00 0.74 -4.11 0.00 0.00 178.44 175.25 1b4q h THR 96 N 0.00 1.23 -0.59 0.15 2.02 -1.38 0.62 112.91 114.96 1b4q h THR 96 Ca 0.25 -0.70 0.10 0.00 0.77 0.00 0.00 66.41 66.82 1b4q h THR 96 Cb 1.06 1.65 -0.04 0.00 -1.74 0.00 0.00 68.15 69.08 1b4q h THR 96 CO -0.00 0.19 0.40 0.03 0.37 0.00 0.00 175.52 176.50 1b4q h ARG 97 N -0.22 0.37 -0.19 6.66 2.47 0.86 0.23 114.38 124.55 1b4q h ARG 97 Ca 0.01 -0.02 -0.19 0.00 -1.26 0.00 0.00 59.98 58.52 1b4q h ARG 97 Cb 0.30 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1b4q h ARG 97 CO 0.00 0.24 -0.61 -0.07 0.56 0.00 0.00 179.97 180.09 1b4q h LEU 98 N 0.38 0.87 0.16 3.04 4.07 -0.55 -3.28 115.31 120.00 1b4q h LEU 98 Ca 0.27 -0.59 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 1b4q h LEU 98 Cb 0.58 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1b4q h LEU 98 CO -0.07 1.31 -0.08 0.50 -1.08 0.00 0.00 178.44 179.02 1b4q h LYS 99 N 0.48 -0.21 -0.95 1.13 3.64 0.33 0.79 116.57 121.79 1b4q h LYS 99 Ca -0.02 0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 1b4q h LYS 99 Cb 1.24 0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 33.04 1b4q h LYS 99 CO 0.13 0.05 0.63 -0.56 -2.27 0.00 0.00 179.45 177.44 1b4q h GLN 100 N -0.45 0.30 0.00 1.90 3.07 -0.98 0.04 115.11 118.98 1b4q h GLN 100 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1b4q h GLN 100 Cb 0.35 -0.07 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1b4q h GLN 100 CO 0.04 0.20 -1.81 0.44 0.09 0.00 0.00 178.83 177.79 1b4q n ILE 101 N -4.47 0.02 -1.77 1.86 -5.35 -1.16 -4.99 119.36 103.50 1b4q n ILE 101 Ca 0.21 -0.43 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1b4q n ILE 101 Cb 0.81 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.85 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 1.29 0.92 0.02 3.28 0.00 0.23 -4.69 105.19 106.23 1b4q n GLY 102 Ca -0.03 -0.48 0.13 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 n ALA 103 N -1.70 2.86 -2.01 4.61 0.00 0.15 -4.86 120.51 119.56 1b4q n ALA 103 Ca 0.00 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 1b4q n ALA 103 Cb 0.36 -1.30 0.09 0.00 0.00 0.00 0.00 19.45 18.59 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 -3.27 3.04 0.00 0.00 2.34 -1.26 -2.98 118.68 116.55 1b4q s LEU 104 Ca 0.12 -0.59 0.31 0.00 0.06 0.00 0.00 54.13 54.03 1b4q s LEU 104 Cb 0.17 -1.82 1.84 0.00 -0.56 0.00 0.00 46.19 45.82 1b4q s LEU 104 CO 0.62 -1.63 2.17 0.00 -1.06 0.00 0.00 176.35 176.45