#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ycc n GLU -4 N 0.00 0.00 -3.77 -0.78 1.02 -1.26 -5.05 120.64 110.79 1ycc n GLU -4 Ca 0.00 -1.19 -0.14 0.00 -0.02 0.00 0.00 57.16 55.82 1ycc n GLU -4 Cb 0.00 0.13 -0.15 0.00 -0.02 0.00 0.00 31.44 31.41 1ycc n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1ycc s PHE -3 N 0.00 -0.08 0.06 -0.32 5.36 -1.26 -5.09 117.98 116.65 1ycc s PHE -3 Ca 0.11 0.31 0.03 0.00 -0.96 0.00 0.00 56.93 56.42 1ycc s PHE -3 Cb 0.13 -0.11 -0.03 0.00 -0.34 0.00 0.00 43.02 42.67 1ycc s PHE -3 CO -0.06 -0.12 -0.08 0.15 -1.46 0.00 0.00 175.22 173.65 1ycc s LYS -2 N 0.92 0.63 0.62 10.12 1.02 -1.26 -5.08 119.74 126.72 1ycc s LYS -2 Ca -0.07 -0.90 -0.18 0.00 0.02 0.00 0.00 55.97 54.84 1ycc s LYS -2 Cb -0.10 -0.35 -0.02 0.00 -0.52 0.00 0.00 37.83 36.84 1ycc s LYS -2 CO -0.04 0.05 1.23 0.00 -0.92 0.00 0.00 175.35 175.67 1ycc s ALA -1 N -1.81 2.45 0.00 5.17 0.00 -1.26 -4.76 121.76 121.56 1ycc s ALA -1 Ca -0.05 1.03 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1ycc s ALA -1 Cb -0.07 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1ycc s ALA -1 CO -0.00 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.81 1ycc n GLY 1 N 0.56 5.37 3.55 0.00 0.00 -1.26 -4.96 105.19 108.44 1ycc n GLY 1 Ca 0.14 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1ycc n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ycc s SER 2 N 1.00 6.17 0.27 1.61 0.15 -1.26 -4.93 113.70 116.71 1ycc s SER 2 Ca 0.00 -0.22 0.01 0.00 0.70 0.00 0.00 55.95 56.45 1ycc s SER 2 Cb 0.00 -2.19 0.36 0.00 -1.71 0.00 0.00 66.02 62.48 1ycc s SER 2 CO 0.00 -0.32 1.69 0.00 1.20 0.00 0.00 173.24 175.82 1ycc h ALA 3 N 8.45 1.05 -0.11 5.45 0.00 -1.88 0.69 119.26 132.92 1ycc h ALA 3 Ca -0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 1ycc h ALA 3 Cb 1.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ycc h ALA 3 CO 0.68 0.58 -0.04 0.87 0.00 0.00 0.00 179.25 181.34 1ycc h LYS 4 N 0.45 0.22 -1.00 0.00 1.57 -1.91 -0.42 116.57 115.47 1ycc h LYS 4 Ca 0.06 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1ycc h LYS 4 Cb 0.71 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.95 1ycc h LYS 4 CO 0.05 0.55 0.65 -0.22 -0.57 0.00 0.00 179.45 179.92 1ycc h LYS 5 N -0.13 1.18 -0.65 3.15 1.63 -1.82 -2.64 116.57 117.28 1ycc h LYS 5 Ca 0.03 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1ycc h LYS 5 Cb 0.48 -0.27 -0.03 0.00 -0.60 0.00 0.00 32.23 31.82 1ycc h LYS 5 CO 0.01 0.78 0.27 0.78 -3.45 0.00 0.00 179.45 177.84 1ycc h GLY 6 N 1.21 1.01 0.97 5.01 0.00 -0.75 -1.14 103.07 109.38 1ycc h GLY 6 Ca 0.42 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1ycc h GLY 6 CO -0.15 0.49 0.19 0.00 0.00 0.00 0.00 176.54 177.07 1ycc h ALA 7 N 1.37 0.64 0.00 3.60 0.00 -0.70 -0.22 119.26 123.94 1ycc h ALA 7 Ca 0.22 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1ycc h ALA 7 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ycc h ALA 7 CO -0.02 0.25 -0.46 1.79 0.00 0.00 0.00 179.25 180.81 1ycc h THR 8 N 0.65 0.88 -0.10 0.00 1.35 -1.32 -2.04 112.91 112.33 1ycc h THR 8 Ca 0.16 -1.94 -0.02 0.00 -0.55 0.00 0.00 66.41 64.06 1ycc h THR 8 Cb 0.20 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1ycc h THR 8 CO -0.01 0.45 -0.02 0.25 -0.25 0.00 0.00 175.52 175.94 1ycc h LEU 9 N 0.00 0.19 -0.28 3.87 5.85 -0.76 -1.60 115.31 122.58 1ycc h LEU 9 Ca -0.00 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.43 1ycc h LEU 9 Cb 1.18 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.10 1ycc h LEU 9 CO 0.06 0.49 -0.15 0.15 -0.34 0.00 0.00 178.44 178.65 1ycc h PHE 10 N -0.12 -0.38 -0.00 1.25 3.04 -0.80 0.26 116.94 120.18 1ycc h PHE 10 Ca 0.03 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.02 1ycc h PHE 10 Cb 0.41 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 1ycc h PHE 10 CO 0.05 -0.23 -0.05 0.87 -2.02 0.00 0.00 178.31 176.93 1ycc h LYS 11 N -0.12 -0.09 0.00 1.11 1.57 -1.32 0.18 116.57 117.90 1ycc h LYS 11 Ca 0.15 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1ycc h LYS 11 Cb 0.35 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ycc h LYS 11 CO -0.36 -0.06 -0.43 1.79 -0.57 0.00 0.00 179.45 179.83 1ycc h THR 12 N -0.09 0.85 0.00 -0.16 1.35 -1.07 -3.36 112.91 110.43 1ycc h THR 12 Ca 0.02 -1.83 -0.02 0.00 -0.55 0.00 0.00 66.41 64.03 1ycc h THR 12 Cb 0.12 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1ycc h THR 12 CO -0.05 0.42 -1.19 0.54 -0.25 0.00 0.00 175.52 174.98 1ycc n ARG 13 N -3.37 1.14 -0.01 4.72 5.12 0.06 -4.90 116.66 119.42 1ycc n ARG 13 Ca 0.01 -0.02 -0.01 0.00 -1.93 0.00 0.00 57.85 55.89 1ycc n ARG 13 Cb 0.61 -1.09 -0.02 0.00 -1.16 0.00 0.00 32.46 30.80 1ycc n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ycc h LEU 15 N 0.00 0.00 -1.97 0.00 5.85 -1.36 -1.55 115.31 116.28 1ycc h LEU 15 Ca -0.08 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1ycc h LEU 15 Cb 1.14 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1ycc h LEU 15 CO 0.00 0.00 0.12 -0.61 -0.34 0.00 0.00 178.44 177.62 1ycc h GLN 16 N 0.00 0.03 0.00 1.25 4.15 -1.85 -3.20 115.11 115.49 1ycc h GLN 16 Ca 0.08 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1ycc h GLN 16 Cb 0.35 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1ycc h GLN 16 CO -0.00 0.02 -0.78 0.00 -1.93 0.00 0.00 178.83 176.14 1ycc s HIS 18 N -1.83 0.43 0.21 0.00 3.76 -0.81 0.35 115.29 117.40 1ycc s HIS 18 Ca -0.00 -0.59 0.09 0.00 -0.15 0.00 0.00 55.06 54.41 1ycc s HIS 18 Cb 0.01 -0.28 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 1ycc s HIS 18 CO 0.06 -0.17 -0.04 0.95 -0.85 0.00 0.00 174.74 174.69 1ycc s THR 19 N -1.75 3.42 -0.06 1.30 -4.23 -1.26 -4.27 115.64 108.79 1ycc s THR 19 Ca -0.11 -1.68 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 1ycc s THR 19 Cb -0.08 -2.74 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 1ycc s THR 19 CO -0.02 -0.20 0.10 1.33 -0.54 0.00 0.00 174.62 175.30 1ycc n VAL 20 N -0.32 0.00 -2.40 2.29 0.24 -1.26 -1.28 118.33 115.60 1ycc n VAL 20 Ca -0.09 -0.21 -0.35 0.00 -2.04 0.00 0.00 64.34 61.66 1ycc n VAL 20 Cb 0.57 0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 33.55 1ycc n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1ycc s GLU 21 N -1.90 3.63 0.09 7.34 1.03 -1.26 -3.34 118.70 124.29 1ycc s GLU 21 Ca -0.00 1.51 -0.31 0.00 0.03 0.00 0.00 54.97 56.20 1ycc s GLU 21 Cb 0.02 -2.11 -0.08 0.00 -0.80 0.00 0.00 34.13 31.16 1ycc s GLU 21 CO 0.14 -0.60 1.56 0.21 -1.33 0.00 0.00 175.26 175.25 1ycc s LYS 22 N -3.17 4.23 0.00 -4.83 2.47 -1.26 -1.36 119.74 115.82 1ycc s LYS 22 Ca 0.69 2.26 0.00 0.00 -1.56 0.00 0.00 55.97 57.35 1ycc s LYS 22 Cb -0.21 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.73 1ycc s LYS 22 CO 0.24 -0.64 0.00 0.41 0.16 0.00 0.00 175.35 175.53 1ycc n GLY 23 N 3.82 0.70 3.81 5.54 0.00 -1.26 -5.03 105.19 112.77 1ycc n GLY 23 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1ycc n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ycc s GLY 24 N -1.92 2.52 0.56 -0.02 0.00 -0.47 -5.07 107.32 102.92 1ycc s GLY 24 Ca 0.00 0.38 -0.08 0.00 0.00 0.00 0.00 44.72 45.02 1ycc s GLY 24 CO 0.00 0.70 0.91 2.56 0.00 0.00 0.00 173.10 177.27 1ycc s PRO 25 N -2.75 3.40 0.47 2.90 0.04 -1.26 -4.79 135.00 133.01 1ycc s PRO 25 Ca 0.56 0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.74 1ycc s PRO 25 Cb -0.12 -2.24 -0.07 0.00 0.04 0.00 0.00 34.50 32.11 1ycc s PRO 25 CO 0.17 -0.47 1.17 -1.01 0.04 0.00 0.00 177.00 176.90 1ycc s HIS 26 N -2.97 2.83 0.00 0.56 3.76 -1.26 -4.15 115.29 114.06 1ycc s HIS 26 Ca 0.52 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.96 1ycc s HIS 26 Cb -0.11 -3.39 0.00 0.00 1.11 0.00 0.00 32.58 30.19 1ycc s HIS 26 CO 0.48 -1.57 0.00 1.63 -0.85 0.00 0.00 174.74 174.43 1ycc n LYS 27 N -0.58 0.00 -0.04 1.40 5.02 -1.26 -4.93 118.16 117.76 1ycc n LYS 27 Ca 0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.28 1ycc n LYS 27 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 1ycc n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ycc h VAL 28 N 0.00 0.88 -1.86 -0.18 2.07 -1.86 -3.43 116.25 111.87 1ycc h VAL 28 Ca 0.00 -0.03 -0.47 0.00 0.82 0.00 0.00 66.70 67.02 1ycc h VAL 28 Cb 0.00 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1ycc h VAL 28 CO 0.00 0.02 -0.41 -0.83 0.02 0.00 0.00 177.57 176.37 1ycc s GLY 29 N -2.54 1.66 0.54 2.17 0.00 0.16 -5.06 107.32 104.24 1ycc s GLY 29 Ca -0.13 -1.54 -0.18 0.00 0.00 0.00 0.00 44.72 42.86 1ycc s GLY 29 CO 0.69 -1.47 1.06 2.56 0.00 0.00 0.00 173.10 175.93 1ycc s PRO 30 N -4.06 3.54 0.32 2.90 0.04 -1.26 -4.59 135.00 131.89 1ycc s PRO 30 Ca 0.42 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 1ycc s PRO 30 Cb -0.08 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 1ycc s PRO 30 CO 0.28 -0.64 1.49 -1.71 0.04 0.00 0.00 177.00 176.46 1ycc n ASN 31 N -1.44 3.52 -1.23 6.66 2.85 -1.26 -4.45 115.26 119.91 1ycc n ASN 31 Ca 0.09 1.18 0.11 0.00 -0.11 0.00 0.00 54.58 55.86 1ycc n ASN 31 Cb 0.52 -1.56 0.27 0.00 1.24 0.00 0.00 39.78 40.25 1ycc n ASN 31 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1ycc n LEU 32 N 1.40 3.70 -4.68 1.20 4.77 -0.41 -4.98 117.00 118.00 1ycc n LEU 32 Ca 0.06 -1.78 -0.43 0.00 -0.03 0.00 0.00 56.01 53.82 1ycc n LEU 32 Cb 0.37 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1ycc n LEU 32 CO 0.63 0.87 0.90 1.57 -1.33 0.00 0.00 177.39 180.04 1ycc n HIS 33 N 1.53 2.16 -1.30 -1.77 -0.00 -1.21 -1.80 115.22 112.83 1ycc n HIS 33 Ca 0.22 0.53 -0.10 0.00 0.46 0.00 0.00 57.72 58.83 1ycc n HIS 33 Cb 0.60 -2.41 -0.04 0.00 -0.12 0.00 0.00 29.99 28.02 1ycc n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ycc n GLY 34 N 1.17 1.13 0.33 1.57 0.00 0.17 -4.93 105.19 104.64 1ycc n GLY 34 Ca 0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ycc n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1ycc h ILE 35 N 0.00 1.20 -2.76 -0.61 6.09 -1.58 -3.40 117.51 116.46 1ycc h ILE 35 Ca -0.21 -0.48 -0.53 0.00 -1.37 0.00 0.00 64.86 62.27 1ycc h ILE 35 Cb 0.79 0.28 0.02 0.00 0.47 0.00 0.00 36.82 38.38 1ycc h ILE 35 CO 0.31 0.22 0.94 -0.36 -3.07 0.00 0.00 178.15 176.18 1ycc s PHE 36 N -5.65 2.66 0.00 2.19 0.08 -1.26 -2.18 117.98 113.82 1ycc s PHE 36 Ca -0.10 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.42 1ycc s PHE 36 Cb 0.17 -3.91 0.00 0.00 -0.57 0.00 0.00 43.02 38.71 1ycc s PHE 36 CO 0.79 -3.54 0.00 0.41 -0.10 0.00 0.00 175.22 172.78 1ycc n GLY 37 N 3.88 2.07 3.93 4.36 0.00 0.12 -5.01 105.19 114.54 1ycc n GLY 37 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1ycc n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ycc s ARG 38 N -0.35 3.52 0.45 1.61 3.52 -0.93 -4.80 118.95 121.97 1ycc s ARG 38 Ca 0.00 -0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.28 1ycc s ARG 38 Cb 0.00 -2.73 -0.02 0.00 -1.56 0.00 0.00 34.95 30.64 1ycc s ARG 38 CO 0.00 0.26 0.70 -1.01 -0.81 0.00 0.00 175.30 174.44 1ycc s HIS 39 N -2.11 3.42 0.51 5.12 3.76 -1.26 -1.68 115.29 123.05 1ycc s HIS 39 Ca 0.40 0.51 -0.22 0.00 -0.15 0.00 0.00 55.06 55.60 1ycc s HIS 39 Cb -0.10 -2.24 -0.06 0.00 1.11 0.00 0.00 32.58 31.29 1ycc s HIS 39 CO 0.32 -0.25 1.26 -1.54 -0.85 0.00 0.00 174.74 173.68 1ycc s SER 40 N -4.14 5.68 -0.22 1.40 1.04 0.44 -3.89 113.70 114.00 1ycc s SER 40 Ca 0.46 2.53 0.00 0.00 0.48 0.00 0.00 55.95 59.42 1ycc s SER 40 Cb -0.10 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.40 1ycc s SER 40 CO 0.41 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1ycc n GLY 41 N 0.58 0.41 0.00 7.32 0.00 -1.26 -4.67 105.19 107.57 1ycc n GLY 41 Ca 0.09 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ycc n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ycc n GLN 42 N -2.05 0.42 -2.04 1.61 1.13 -1.25 -4.93 117.38 110.27 1ycc n GLN 42 Ca -0.03 -0.39 -0.42 0.00 -1.94 0.00 0.00 57.00 54.22 1ycc n GLN 42 Cb 0.31 -0.89 -0.03 0.00 0.11 0.00 0.00 30.24 29.74 1ycc n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ycc s ALA 43 N -0.17 3.69 0.30 -1.58 0.00 -1.26 -4.99 121.76 117.75 1ycc s ALA 43 Ca 0.00 1.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.99 1ycc s ALA 43 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 1ycc s ALA 43 CO 0.00 -0.70 0.86 -1.83 0.00 0.00 0.00 175.76 174.09 1ycc s GLU 44 N 1.13 4.40 0.00 0.00 -1.05 -1.26 -3.57 118.70 118.35 1ycc s GLU 44 Ca 0.67 1.11 0.00 0.00 -0.15 0.00 0.00 54.97 56.61 1ycc s GLU 44 Cb -0.41 -2.75 0.00 0.00 -0.44 0.00 0.00 34.13 30.54 1ycc s GLU 44 CO 0.31 0.28 0.00 0.41 0.95 0.00 0.00 175.26 177.21 1ycc n GLY 45 N 0.45 0.71 3.34 -3.83 0.00 -1.26 -5.05 105.19 99.55 1ycc n GLY 45 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1ycc n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ycc s TYR 46 N -2.17 2.52 -1.06 1.61 5.04 -1.23 -5.04 117.35 117.02 1ycc s TYR 46 Ca 0.00 -0.53 -0.15 0.00 -2.44 0.00 0.00 57.07 53.95 1ycc s TYR 46 Cb 0.00 -1.61 0.17 0.00 0.35 0.00 0.00 41.96 40.86 1ycc s TYR 46 CO 0.00 -0.09 1.23 0.45 -1.34 0.00 0.00 175.55 175.80 1ycc s SER 47 N -0.32 6.89 0.81 4.32 0.15 -1.26 -4.99 113.70 119.30 1ycc s SER 47 Ca 0.02 -2.64 -0.11 0.00 0.70 0.00 0.00 55.95 53.91 1ycc s SER 47 Cb -0.13 -2.37 0.08 0.00 -1.71 0.00 0.00 66.02 61.89 1ycc s SER 47 CO 0.02 -0.82 1.09 -0.31 1.20 0.00 0.00 173.24 174.42 1ycc s TYR 48 N 1.66 2.53 0.67 3.44 2.02 -1.26 -5.04 117.35 121.37 1ycc s TYR 48 Ca 0.36 1.44 -0.13 0.00 -0.37 0.00 0.00 57.07 58.37 1ycc s TYR 48 Cb -0.05 -3.08 -0.00 0.00 -0.40 0.00 0.00 41.96 38.43 1ycc s TYR 48 CO -0.05 -1.96 1.07 0.95 -1.57 0.00 0.00 175.55 173.99 1ycc s THR 49 N -2.93 3.80 0.19 -0.71 -4.23 -1.26 -4.95 115.64 105.54 1ycc s THR 49 Ca 0.62 0.69 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 1ycc s THR 49 Cb -0.17 -3.31 0.09 0.00 1.34 0.00 0.00 72.50 70.46 1ycc s THR 49 CO 0.56 -0.66 1.78 0.44 -0.54 0.00 0.00 174.62 176.20 1ycc h ASP 50 N -0.31 0.34 -0.49 3.99 3.45 -1.96 -3.09 116.42 118.35 1ycc h ASP 50 Ca -0.45 0.04 0.09 0.00 0.43 0.00 0.00 57.03 57.14 1ycc h ASP 50 Cb 1.22 -0.02 -0.08 0.00 -0.56 0.00 0.00 39.33 39.89 1ycc h ASP 50 CO 0.56 0.23 0.04 0.00 -1.57 0.00 0.00 179.24 178.49 1ycc h ALA 51 N 1.31 0.49 -0.12 3.45 0.00 -1.87 -2.93 119.26 119.58 1ycc h ALA 51 Ca 0.24 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1ycc h ALA 51 Cb 0.19 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1ycc h ALA 51 CO -0.19 -0.36 -0.00 -0.97 0.00 0.00 0.00 179.25 177.72 1ycc h ASN 52 N 0.16 0.22 -0.84 0.00 -0.73 -1.86 -2.72 115.58 109.80 1ycc h ASN 52 Ca 0.25 -0.32 0.06 0.00 1.87 0.00 0.00 56.30 58.16 1ycc h ASN 52 Cb 0.36 -0.06 -0.06 0.00 0.27 0.00 0.00 38.32 38.83 1ycc h ASN 52 CO -0.38 0.48 0.51 0.40 -0.37 0.00 0.00 177.43 178.08 1ycc h ILE 53 N -0.05 1.03 0.00 2.57 2.04 -1.51 -2.83 117.51 118.75 1ycc h ILE 53 Ca 0.03 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1ycc h ILE 53 Cb 0.38 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1ycc h ILE 53 CO 0.01 0.17 -0.34 0.11 0.00 0.00 0.00 178.15 178.09 1ycc h LYS 54 N 0.93 0.00 0.00 2.37 1.79 -1.57 -3.20 116.57 116.89 1ycc h LYS 54 Ca 0.37 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.71 1ycc h LYS 54 Cb 0.18 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1ycc h LYS 54 CO -0.18 0.00 -0.59 -0.22 -1.08 0.00 0.00 179.45 177.38 1ycc h LYS 55 N 0.00 0.00 -7.03 3.15 1.63 -1.22 -3.47 116.57 109.62 1ycc h LYS 55 Ca 0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 1ycc h LYS 55 Cb 0.76 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 32.14 1ycc h LYS 55 CO 0.00 0.59 -0.93 -1.71 -3.45 0.00 0.00 179.45 173.95 1ycc n ASN 56 N -3.59 -0.38 -4.75 4.20 4.05 -1.21 -4.91 115.26 108.67 1ycc n ASN 56 Ca -0.00 -1.22 -0.41 0.00 0.45 0.00 0.00 54.58 53.40 1ycc n ASN 56 Cb 0.64 -1.85 -0.02 0.00 1.23 0.00 0.00 39.78 39.78 1ycc n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1ycc s VAL 57 N -3.91 2.77 -0.27 3.44 1.01 -1.26 -4.69 120.40 117.48 1ycc s VAL 57 Ca 0.31 0.68 -0.18 0.00 0.00 0.00 0.00 61.98 62.80 1ycc s VAL 57 Cb -0.18 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1ycc s VAL 57 CO 0.99 0.13 0.50 -0.22 0.00 0.00 0.00 175.10 176.50 1ycc s LEU 58 N -0.81 4.09 -0.39 3.92 1.98 -1.26 -0.42 118.68 125.78 1ycc s LEU 58 Ca 0.55 0.42 -0.27 0.00 -2.89 0.00 0.00 54.13 51.94 1ycc s LEU 58 Cb -0.40 -2.63 0.02 0.00 0.66 0.00 0.00 46.19 43.84 1ycc s LEU 58 CO 0.46 -0.30 1.02 0.26 -1.89 0.00 0.00 176.35 175.89 1ycc s TRP 59 N 2.30 3.02 0.15 5.38 0.52 -0.68 -4.82 118.94 124.82 1ycc s TRP 59 Ca 0.20 0.85 0.06 0.00 0.02 0.00 0.00 56.10 57.22 1ycc s TRP 59 Cb -0.16 -3.87 -0.04 0.00 -1.15 0.00 0.00 33.47 28.25 1ycc s TRP 59 CO 0.10 -0.94 -0.12 0.16 0.02 0.00 0.00 176.95 176.17 1ycc s ASP 60 N 1.99 2.04 0.61 2.95 1.47 -1.26 0.11 116.67 124.58 1ycc s ASP 60 Ca 0.42 -0.95 0.27 0.00 1.18 0.00 0.00 52.55 53.47 1ycc s ASP 60 Cb -0.11 -0.06 1.33 0.00 -0.34 0.00 0.00 42.92 43.75 1ycc s ASP 60 CO 0.21 -0.23 1.75 1.05 0.68 0.00 0.00 175.17 178.63 1ycc h GLU 61 N 2.96 0.00 0.16 2.11 4.11 -1.98 -2.39 114.58 119.55 1ycc h GLU 61 Ca -0.38 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.81 1ycc h GLU 61 Cb 1.20 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.47 1ycc h GLU 61 CO 0.59 0.00 -1.12 -0.91 0.07 0.00 0.00 179.01 177.64 1ycc h ASN 62 N 0.00 0.53 -0.38 3.06 4.21 -1.96 -2.90 115.58 118.14 1ycc h ASN 62 Ca 0.20 -0.92 -0.04 0.00 1.21 0.00 0.00 56.30 56.75 1ycc h ASN 62 Cb 1.41 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1ycc h ASN 62 CO -0.00 1.53 0.09 -1.13 -1.29 0.00 0.00 177.43 176.63 1ycc h ASN 63 N -0.24 0.58 -0.99 5.81 -0.73 -1.83 -3.04 115.58 115.14 1ycc h ASN 63 Ca -0.21 -0.23 0.09 0.00 1.87 0.00 0.00 56.30 57.81 1ycc h ASN 63 Cb 1.79 -0.15 -0.07 0.00 0.27 0.00 0.00 38.32 40.15 1ycc h ASN 63 CO 0.15 0.66 0.64 -0.03 -0.37 0.00 0.00 177.43 178.48 1ycc h MET 64 N 0.47 1.05 -0.53 6.67 4.05 -1.55 0.34 114.93 125.43 1ycc h MET 64 Ca 0.12 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.40 1ycc h MET 64 Cb 0.31 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1ycc h MET 64 CO 0.00 0.69 0.01 1.03 0.23 0.00 0.00 176.91 178.88 1ycc h SER 65 N 1.08 0.90 -0.25 1.39 0.87 -1.39 -0.96 113.55 115.19 1ycc h SER 65 Ca 0.46 -0.30 -0.19 0.00 -1.23 0.00 0.00 61.79 60.53 1ycc h SER 65 Cb 0.31 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1ycc h SER 65 CO -0.21 0.98 -0.57 -0.33 -0.53 0.00 0.00 176.83 176.18 1ycc h GLU 66 N 0.80 0.83 0.28 2.24 3.07 -1.36 -2.39 114.58 118.04 1ycc h GLU 66 Ca 0.15 -0.55 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 1ycc h GLU 66 Cb 0.51 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 1ycc h GLU 66 CO 0.02 1.18 -0.36 -0.92 -1.40 0.00 0.00 179.01 177.54 1ycc h TYR 67 N 0.59 -0.97 0.00 4.33 -0.00 -0.21 -2.50 116.97 118.21 1ycc h TYR 67 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1ycc h TYR 67 Cb 1.18 0.39 0.00 0.00 -0.00 0.00 0.00 36.73 38.30 1ycc h TYR 67 CO 0.08 -0.49 0.00 -0.07 -0.00 0.00 0.00 178.16 177.68 1ycc h LEU 68 N -0.69 0.00 -0.86 2.82 3.38 -1.10 -0.15 115.31 118.71 1ycc h LEU 68 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1ycc h LEU 68 Cb 0.65 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1ycc h LEU 68 CO -0.11 0.00 -0.03 0.74 0.09 0.00 0.00 178.44 179.13 1ycc h THR 69 N 0.00 1.25 -0.25 0.22 2.02 -0.95 0.18 112.91 115.38 1ycc h THR 69 Ca 0.00 -1.06 0.09 0.00 0.77 0.00 0.00 66.41 66.20 1ycc h THR 69 Cb 0.01 0.92 -0.17 0.00 -1.74 0.00 0.00 68.15 67.17 1ycc h THR 69 CO 0.00 0.37 -0.13 0.21 0.37 0.00 0.00 175.52 176.34 1ycc s ASN 70 N -6.65 -0.38 0.00 4.18 3.84 -0.44 -3.89 114.94 111.59 1ycc s ASN 70 Ca -0.10 -0.26 0.00 0.00 0.21 0.00 0.00 52.86 52.72 1ycc s ASN 70 Cb 0.14 0.49 0.00 0.00 -0.55 0.00 0.00 41.25 41.33 1ycc s ASN 70 CO 0.82 -0.03 0.00 -2.65 -2.79 0.00 0.00 177.10 172.44 1ycc n PRO 71 N 3.44 0.00 0.00 0.43 -0.02 -0.20 -1.49 135.00 137.16 1ycc n PRO 71 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1ycc n PRO 71 Cb 0.63 -0.82 0.00 0.00 -0.02 0.00 0.00 33.50 33.29 1ycc n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ycc n LYS 73 N 0.06 0.00 -0.04 -0.52 3.00 -1.26 -0.14 118.16 119.26 1ycc n LYS 73 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1ycc n LYS 73 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 1ycc n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1ycc h TYR 74 N 0.00 0.57 -2.99 5.64 3.20 -1.60 -3.39 116.97 118.41 1ycc h TYR 74 Ca 0.00 -0.22 -0.62 0.00 3.14 0.00 0.00 58.73 61.03 1ycc h TYR 74 Cb 0.00 -0.10 -0.41 0.00 1.54 0.00 0.00 36.73 37.76 1ycc h TYR 74 CO 0.00 0.95 -0.69 0.42 -1.64 0.00 0.00 178.16 177.20 1ycc s ILE 75 N -3.89 2.02 0.12 1.81 1.01 0.80 -5.09 121.20 117.98 1ycc s ILE 75 Ca -0.13 -3.38 -0.31 0.00 0.00 0.00 0.00 60.65 56.82 1ycc s ILE 75 Cb 0.05 -2.36 -0.09 0.00 0.01 0.00 0.00 42.46 40.07 1ycc s ILE 75 CO 0.79 -0.98 1.52 -2.84 0.00 0.00 0.00 174.94 173.43 1ycc s PRO 76 N -0.52 4.25 0.00 2.79 0.02 -1.26 -1.19 135.00 139.08 1ycc s PRO 76 Ca 0.23 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.49 1ycc s PRO 76 Cb -0.12 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1ycc s PRO 76 CO -0.10 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.41 1ycc n GLY 77 N 3.71 0.44 3.76 0.52 0.00 -1.26 -4.82 105.19 107.55 1ycc n GLY 77 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1ycc n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ycc s THR 78 N -2.03 2.83 -2.13 2.61 -1.32 -0.33 -4.73 115.64 110.52 1ycc s THR 78 Ca 0.00 0.60 0.17 0.00 -1.21 0.00 0.00 61.69 61.26 1ycc s THR 78 Cb 0.00 -3.30 0.43 0.00 -1.51 0.00 0.00 72.50 68.12 1ycc s THR 78 CO 0.00 -0.03 1.41 2.29 -2.21 0.00 0.00 174.62 176.08 1ycc n LYS 79 N -0.77 2.07 -2.21 7.08 2.85 -1.26 -4.83 118.16 121.10 1ycc n LYS 79 Ca 0.09 -1.64 -0.42 0.00 -1.05 0.00 0.00 58.31 55.29 1ycc n LYS 79 Cb 0.48 -1.40 -0.03 0.00 -0.65 0.00 0.00 35.03 33.43 1ycc n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1ycc s MET 80 N -1.49 3.23 -1.31 -1.58 1.75 -1.26 -4.92 119.30 113.73 1ycc s MET 80 Ca 0.33 0.85 -0.13 0.00 -1.25 0.00 0.00 55.69 55.49 1ycc s MET 80 Cb 0.18 -4.18 0.12 0.00 2.84 0.00 0.00 34.83 33.79 1ycc s MET 80 CO 0.24 -2.00 1.83 0.00 -0.65 0.00 0.00 175.02 174.44 1ycc n ALA 81 N 10.26 4.75 -3.72 4.11 0.00 -1.26 -4.91 120.51 129.75 1ycc n ALA 81 Ca 0.18 -4.13 -0.20 0.00 0.00 0.00 0.00 53.44 49.29 1ycc n ALA 81 Cb 0.49 -3.23 -0.17 0.00 0.00 0.00 0.00 19.45 16.54 1ycc n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ycc s PHE 82 N 1.93 0.39 0.17 0.00 2.19 -1.26 -5.05 117.98 116.35 1ycc s PHE 82 Ca 0.44 -0.00 -0.12 0.00 0.33 0.00 0.00 56.93 57.58 1ycc s PHE 82 Cb 0.07 -0.57 0.07 0.00 -1.31 0.00 0.00 43.02 41.28 1ycc s PHE 82 CO -0.01 -0.21 1.71 0.78 1.83 0.00 0.00 175.22 179.32 1ycc h GLY 83 N 7.89 0.97 0.00 13.12 0.00 -1.96 -3.40 103.07 119.69 1ycc h GLY 83 Ca -0.27 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1ycc h GLY 83 CO 0.33 0.52 0.00 0.61 0.00 0.00 0.00 176.54 178.00 1ycc n GLY 84 N -0.74 3.76 3.01 4.60 0.00 -1.26 -4.47 105.19 110.08 1ycc n GLY 84 Ca 0.03 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 1ycc n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ycc s LEU 85 N 0.00 4.68 0.31 0.99 1.43 0.64 -4.97 118.68 121.76 1ycc s LEU 85 Ca 0.00 -2.38 0.14 0.00 -1.03 0.00 0.00 54.13 50.85 1ycc s LEU 85 Cb 0.00 -1.64 0.46 0.00 0.03 0.00 0.00 46.19 45.04 1ycc s LEU 85 CO 0.00 -0.35 1.65 0.11 0.23 0.00 0.00 176.35 177.99 1ycc h LYS 86 N 7.34 0.00 -5.88 1.70 1.79 -1.84 -3.37 116.57 116.31 1ycc h LYS 86 Ca -0.05 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.84 1ycc h LYS 86 Cb 0.99 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.57 1ycc h LYS 86 CO 0.57 0.53 0.15 0.15 -1.08 0.00 0.00 179.45 179.78 1ycc s LYS 87 N -3.58 4.33 0.36 3.15 1.02 -1.26 -4.94 119.74 118.81 1ycc s LYS 87 Ca -0.01 0.80 0.08 0.00 0.02 0.00 0.00 55.97 56.86 1ycc s LYS 87 Cb 0.12 -3.52 0.78 0.00 -0.52 0.00 0.00 37.83 34.70 1ycc s LYS 87 CO 0.74 -0.11 1.91 1.49 -0.92 0.00 0.00 175.35 178.46 1ycc h GLU 88 N 7.11 0.70 -0.53 1.68 4.81 -2.00 -2.23 114.58 124.12 1ycc h GLU 88 Ca -0.35 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 58.77 1ycc h GLU 88 Cb 1.16 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1ycc h GLU 88 CO 0.78 0.46 0.08 1.57 -0.73 0.00 0.00 179.01 181.17 1ycc h LYS 89 N 0.72 0.84 -0.01 1.92 2.10 -1.97 0.91 116.57 121.07 1ycc h LYS 89 Ca 0.38 -0.19 -0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1ycc h LYS 89 Cb 0.49 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1ycc h LYS 89 CO -0.15 0.79 0.00 -0.44 -2.00 0.00 0.00 179.45 177.65 1ycc h ASP 90 N 0.80 0.01 -0.68 7.07 3.45 -1.87 -1.70 116.42 123.51 1ycc h ASP 90 Ca 0.17 -0.21 0.05 0.00 0.43 0.00 0.00 57.03 57.47 1ycc h ASP 90 Cb 0.36 -0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.08 1ycc h ASP 90 CO 0.01 0.22 0.40 0.03 -1.57 0.00 0.00 179.24 178.32 1ycc h ARG 91 N -0.19 0.72 -0.26 3.56 3.08 -1.23 0.11 114.38 120.17 1ycc h ARG 91 Ca 0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1ycc h ARG 91 Cb 0.21 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1ycc h ARG 91 CO -0.00 0.48 0.12 -0.91 -1.07 0.00 0.00 179.97 178.59 1ycc h ASN 92 N 0.74 0.35 0.06 7.04 2.35 -0.64 0.59 115.58 126.07 1ycc h ASN 92 Ca 0.29 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1ycc h ASN 92 Cb 0.13 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1ycc h ASN 92 CO -0.16 0.38 -0.32 0.44 -1.65 0.00 0.00 177.43 176.13 1ycc h ASP 93 N 0.29 -0.95 -0.25 5.81 3.32 -1.15 -0.97 116.42 122.52 1ycc h ASP 93 Ca 0.09 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1ycc h ASP 93 Cb 0.13 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1ycc h ASP 93 CO -0.01 -0.40 0.15 0.25 -1.72 0.00 0.00 179.24 177.51 1ycc h LEU 94 N -0.51 0.29 -1.39 1.55 5.85 -0.54 -2.20 115.31 118.36 1ycc h LEU 94 Ca 0.04 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1ycc h LEU 94 Cb 0.57 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1ycc h LEU 94 CO -0.23 0.26 0.11 0.40 -0.34 0.00 0.00 178.44 178.64 1ycc h ILE 95 N 0.31 1.16 -0.45 4.05 2.04 -0.88 0.27 117.51 124.00 1ycc h ILE 95 Ca 0.09 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.43 1ycc h ILE 95 Cb 0.01 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1ycc h ILE 95 CO -0.02 0.20 0.26 0.74 0.00 0.00 0.00 178.15 179.33 1ycc h THR 96 N 0.52 1.02 -0.37 -0.27 2.02 -0.57 0.46 112.91 115.72 1ycc h THR 96 Ca 0.12 -0.18 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 1ycc h THR 96 Cb 0.17 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1ycc h THR 96 CO -0.01 0.09 -0.15 0.22 0.37 0.00 0.00 175.52 176.04 1ycc h TYR 97 N 0.51 0.87 -0.25 3.16 3.20 -0.92 -3.06 116.97 120.48 1ycc h TYR 97 Ca 0.19 -0.21 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1ycc h TYR 97 Cb 0.04 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1ycc h TYR 97 CO -0.08 0.93 -0.02 -0.07 -1.64 0.00 0.00 178.16 177.29 1ycc h LEU 98 N 0.55 0.45 -0.86 2.82 3.38 -0.11 0.16 115.31 121.69 1ycc h LEU 98 Ca 0.09 -0.33 0.22 0.00 0.09 0.00 0.00 57.88 57.95 1ycc h LEU 98 Cb 0.69 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 41.18 1ycc h LEU 98 CO 0.05 0.67 0.18 0.50 0.09 0.00 0.00 178.44 179.93 1ycc h LYS 99 N 0.22 0.17 -0.02 1.13 3.64 -0.13 0.24 116.57 121.81 1ycc h LYS 99 Ca 0.07 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.33 1ycc h LYS 99 Cb 0.45 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1ycc h LYS 99 CO 0.02 0.11 -0.41 0.87 -2.27 0.00 0.00 179.45 177.77 1ycc h LYS 100 N 0.18 0.32 0.00 1.90 1.79 -1.36 -3.36 116.57 116.04 1ycc h LYS 100 Ca 0.53 -0.31 -0.03 0.00 -2.18 0.00 0.00 60.65 58.65 1ycc h LYS 100 Cb 1.04 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.77 1ycc h LYS 100 CO -0.67 0.99 -0.40 0.00 -1.08 0.00 0.00 179.45 178.30 1ycc h ALA 101 N 0.33 0.81 -0.16 3.86 0.00 -0.27 -3.29 119.26 120.54 1ycc h ALA 101 Ca -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ycc h ALA 101 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1ycc h ALA 101 CO 0.08 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.52