#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4o s HIS 2 N 0.00 1.82 -0.33 1.61 4.02 -1.26 -5.10 115.29 116.06 1y4o s HIS 2 Ca 0.00 -0.48 -0.24 0.00 1.02 0.00 0.00 55.06 55.37 1y4o s HIS 2 Cb 0.00 -1.21 0.01 0.00 -1.02 0.00 0.00 32.58 30.36 1y4o s HIS 2 CO 0.00 -0.13 0.81 -1.58 1.02 0.00 0.00 174.74 174.86 1y4o s HIS 3 N -0.14 3.16 0.37 1.40 2.46 -1.26 -5.03 115.29 116.26 1y4o s HIS 3 Ca -0.00 0.75 -0.14 0.00 0.47 0.00 0.00 55.06 56.13 1y4o s HIS 3 Cb -0.11 -3.33 -0.08 0.00 -0.13 0.00 0.00 32.58 28.93 1y4o s HIS 3 CO 0.02 -0.65 0.78 -1.01 -2.47 0.00 0.00 174.74 171.41 1y4o s HIS 4 N 3.08 3.40 -0.31 3.88 4.02 -1.26 -5.01 115.29 123.09 1y4o s HIS 4 Ca 0.33 1.22 -0.29 0.00 1.02 0.00 0.00 55.06 57.34 1y4o s HIS 4 Cb -0.14 -2.56 0.01 0.00 -1.02 0.00 0.00 32.58 28.88 1y4o s HIS 4 CO 0.14 -0.02 1.18 -1.01 1.02 0.00 0.00 174.74 176.06 1y4o s HIS 5 N -2.16 2.93 -0.50 1.40 3.76 -1.26 -4.98 115.29 114.48 1y4o s HIS 5 Ca 0.54 1.03 -0.17 0.00 -0.15 0.00 0.00 55.06 56.32 1y4o s HIS 5 Cb -0.10 -3.80 0.08 0.00 1.11 0.00 0.00 32.58 29.87 1y4o s HIS 5 CO 0.22 -1.22 0.50 -1.01 -0.85 0.00 0.00 174.74 172.38 1y4o s HIS 6 N 3.97 3.17 -0.12 1.40 0.09 -1.26 -4.99 115.29 117.55 1y4o s HIS 6 Ca 0.50 -0.89 -0.30 0.00 -0.00 0.00 0.00 55.06 54.38 1y4o s HIS 6 Cb -0.14 -3.45 -0.02 0.00 -0.00 0.00 0.00 32.58 28.96 1y4o s HIS 6 CO 0.19 -0.94 1.21 -1.01 -0.00 0.00 0.00 174.74 174.18 1y4o s HIS 7 N 1.99 3.07 0.23 1.40 4.02 -1.26 -4.90 115.29 119.84 1y4o s HIS 7 Ca 0.07 1.16 -0.22 0.00 1.02 0.00 0.00 55.06 57.09 1y4o s HIS 7 Cb -0.24 -3.43 0.04 0.00 -1.02 0.00 0.00 32.58 27.92 1y4o s HIS 7 CO 0.07 -1.37 0.82 -1.17 1.02 0.00 0.00 174.74 174.11 1y4o s LEU 8 N 2.84 -0.22 0.00 0.89 2.96 -1.26 -4.82 118.68 119.07 1y4o s LEU 8 Ca 0.54 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 1y4o s LEU 8 Cb -0.22 2.50 0.00 0.00 0.50 0.00 0.00 46.19 48.97 1y4o s LEU 8 CO 0.17 -1.18 0.00 -0.62 -1.32 0.00 0.00 176.35 173.40 1y4o n GLU 9 N -0.47 0.00 -0.03 1.98 1.02 -1.26 -4.56 120.64 117.32 1y4o n GLU 9 Ca -0.05 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.96 1y4o n GLU 9 Cb 0.60 -0.93 -0.09 0.00 -0.02 0.00 0.00 31.44 30.99 1y4o n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y4o h ALA 10 N 0.00 0.07 -0.02 0.62 0.00 -1.98 -0.85 119.26 117.10 1y4o h ALA 10 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1y4o h ALA 10 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1y4o h ALA 10 CO 0.00 -0.06 -0.06 0.93 0.00 0.00 0.00 179.25 180.06 1y4o h GLU 11 N -0.37 0.07 0.31 0.00 3.07 -1.94 -3.19 114.58 112.53 1y4o h GLU 11 Ca 0.00 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.79 1y4o h GLU 11 Cb 0.68 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1y4o h GLU 11 CO 0.02 0.67 -0.15 0.28 -1.40 0.00 0.00 179.01 178.43 1y4o h VAL 12 N -0.51 0.72 -0.28 3.13 2.07 -1.88 -1.33 116.25 118.18 1y4o h VAL 12 Ca -0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1y4o h VAL 12 Cb 0.67 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1y4o h VAL 12 CO 0.01 0.06 0.12 -0.33 0.02 0.00 0.00 177.57 177.46 1y4o h GLU 13 N -0.58 0.41 0.01 1.57 5.08 -1.31 0.24 114.58 120.01 1y4o h GLU 13 Ca -0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1y4o h GLU 13 Cb 0.42 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1y4o h GLU 13 CO 0.07 0.42 -0.00 1.49 -1.00 0.00 0.00 179.01 179.99 1y4o h GLU 14 N 0.31 -0.01 -0.01 2.33 4.57 -1.58 -1.35 114.58 118.84 1y4o h GLU 14 Ca 0.09 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.14 1y4o h GLU 14 Cb 0.16 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1y4o h GLU 14 CO -0.01 0.12 -0.65 1.15 -1.18 0.00 0.00 179.01 178.44 1y4o h THR 15 N -0.14 1.46 -0.41 0.32 2.02 -1.15 -1.60 112.91 113.40 1y4o h THR 15 Ca -0.00 -2.22 -0.13 0.00 0.77 0.00 0.00 66.41 64.83 1y4o h THR 15 Cb 0.14 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1y4o h THR 15 CO 0.00 0.64 -0.25 0.25 0.37 0.00 0.00 175.52 176.53 1y4o h LEU 16 N 0.02 0.94 -1.32 2.58 7.12 -0.28 0.19 115.31 124.55 1y4o h LEU 16 Ca -0.01 -0.42 -0.05 0.00 0.13 0.00 0.00 57.88 57.53 1y4o h LEU 16 Cb 1.15 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 1y4o h LEU 16 CO 0.09 1.16 -0.25 0.11 -0.13 0.00 0.00 178.44 179.41 1y4o h LYS 17 N 0.72 0.00 -0.35 1.25 1.57 -1.16 -0.22 116.57 118.38 1y4o h LYS 17 Ca 0.09 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1y4o h LYS 17 Cb 0.83 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.13 1y4o h LYS 17 CO 0.07 0.25 -0.34 -0.09 -0.57 0.00 0.00 179.45 178.77 1y4o h ARG 18 N 0.00 0.85 0.00 3.15 2.43 -0.54 -1.77 114.38 118.50 1y4o h ARG 18 Ca -0.00 -0.45 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1y4o h ARG 18 Cb 0.66 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1y4o h ARG 18 CO 0.03 1.09 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.40 1y4o h LEU 19 N 0.65 0.00 -0.06 3.80 3.38 0.32 -0.44 115.31 122.95 1y4o h LEU 19 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y4o h LEU 19 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1y4o h LEU 19 CO 0.09 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1y4o n GLN 20 N -4.14 0.21 -0.46 1.13 1.13 -0.19 -2.96 117.38 112.10 1y4o n GLN 20 Ca -0.03 0.20 0.08 0.00 -1.94 0.00 0.00 57.00 55.31 1y4o n GLN 20 Cb 0.19 -1.76 0.28 0.00 0.11 0.00 0.00 30.24 29.06 1y4o n GLN 20 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1y4o n SER 21 N -2.13 4.06 -4.76 1.08 7.64 -0.19 -4.98 113.62 114.34 1y4o n SER 21 Ca 0.05 -2.55 -0.40 0.00 1.01 0.00 0.00 58.87 56.98 1y4o n SER 21 Cb 0.39 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 1y4o n SER 21 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1y4o s GLN 22 N -2.02 4.68 -0.24 1.43 -1.52 -1.09 -4.99 119.66 115.92 1y4o s GLN 22 Ca 0.41 1.61 -0.14 0.00 -1.95 0.00 0.00 55.36 55.29 1y4o s GLN 22 Cb 0.29 -3.13 -0.16 0.00 -0.22 0.00 0.00 33.01 29.79 1y4o s GLN 22 CO 0.16 0.31 -0.10 0.36 -0.25 0.00 0.00 175.29 175.78 1y4o n LYS 23 N 1.13 0.60 -2.26 2.91 2.85 -1.26 -4.68 118.16 117.45 1y4o n LYS 23 Ca -0.01 0.36 -0.29 0.00 -1.05 0.00 0.00 58.31 57.32 1y4o n LYS 23 Cb 0.47 -1.60 0.01 0.00 -0.65 0.00 0.00 35.03 33.26 1y4o n LYS 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1y4o n GLY 24 N 1.48 5.98 3.81 2.58 0.00 -1.26 -5.00 105.19 112.78 1y4o n GLY 24 Ca -0.45 -2.68 -0.32 0.00 0.00 0.00 0.00 46.02 42.57 1y4o n GLY 24 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y4o s VAL 25 N -5.29 4.85 -0.34 1.61 -7.23 -1.26 -1.67 120.40 111.08 1y4o s VAL 25 Ca 0.50 -0.45 0.23 0.00 -1.81 0.00 0.00 61.98 60.45 1y4o s VAL 25 Cb 0.41 -3.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.07 1y4o s VAL 25 CO -0.19 0.28 1.07 0.00 -0.31 0.00 0.00 175.10 175.95 1y4o n GLN 26 N 0.90 0.52 0.00 4.82 6.02 0.11 -4.91 117.38 124.85 1y4o n GLN 26 Ca -0.11 0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1y4o n GLN 26 Cb 0.52 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1y4o n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y4o n GLY 27 N 1.23 1.42 3.38 1.08 0.00 -1.05 -4.69 105.19 106.57 1y4o n GLY 27 Ca 0.01 -0.63 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 1y4o n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4o s ILE 28 N -2.00 2.61 -0.37 -0.61 1.01 -1.26 -0.45 121.20 120.14 1y4o s ILE 28 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.77 1y4o s ILE 28 Cb 0.00 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.60 1y4o s ILE 28 CO 0.00 0.58 0.17 -0.63 0.00 0.00 0.00 174.94 175.05 1y4o s ILE 29 N -0.46 0.97 -0.34 2.92 1.01 0.94 -0.93 121.20 125.32 1y4o s ILE 29 Ca 0.05 -1.89 -0.09 0.00 0.00 0.00 0.00 60.65 58.72 1y4o s ILE 29 Cb -0.12 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.66 1y4o s ILE 29 CO 0.01 -0.81 0.15 0.54 0.00 0.00 0.00 174.94 174.84 1y4o s VAL 30 N 1.05 4.35 0.03 2.92 0.11 -1.08 -1.70 120.40 126.08 1y4o s VAL 30 Ca 0.14 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1y4o s VAL 30 Cb -0.21 -3.35 -0.02 0.00 -1.53 0.00 0.00 36.38 31.27 1y4o s VAL 30 CO -0.12 -0.09 -0.17 0.68 -3.33 0.00 0.00 175.10 172.06 1y4o s VAL 31 N 1.54 1.39 1.18 2.04 -7.23 -0.97 -0.22 120.40 118.12 1y4o s VAL 31 Ca 0.02 -1.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.00 1y4o s VAL 31 Cb -0.18 -1.22 0.27 0.00 0.56 0.00 0.00 36.38 35.81 1y4o s VAL 31 CO 0.05 0.16 1.06 0.20 -0.31 0.00 0.00 175.10 176.27 1y4o s ASN 32 N -1.01 1.07 0.51 4.85 0.01 0.24 -0.19 114.94 120.42 1y4o s ASN 32 Ca 0.05 0.98 0.21 0.00 -0.71 0.00 0.00 52.86 53.39 1y4o s ASN 32 Cb -0.08 -1.47 1.30 0.00 0.41 0.00 0.00 41.25 41.41 1y4o s ASN 32 CO 0.01 -4.07 2.03 0.71 -1.51 0.00 0.00 177.10 174.28 1y4o h THR 33 N -2.54 0.83 0.00 1.60 1.35 -1.71 -0.05 112.91 112.39 1y4o h THR 33 Ca -0.51 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1y4o h THR 33 Cb 1.32 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1y4o h THR 33 CO 0.44 0.01 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.31 1y4o h GLU 34 N 0.07 0.00 0.00 4.72 5.08 -1.91 -3.47 114.58 119.07 1y4o h GLU 34 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1y4o h GLU 34 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1y4o h GLU 34 CO -0.01 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.49 1y4o n GLY 35 N 1.02 1.01 3.64 -3.84 0.00 -0.03 -4.97 105.19 102.00 1y4o n GLY 35 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1y4o n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4o s ILE 36 N -2.00 3.66 -0.17 -0.61 1.01 -1.26 -4.75 121.20 117.08 1y4o s ILE 36 Ca 0.00 0.76 -0.29 0.00 0.00 0.00 0.00 60.65 61.11 1y4o s ILE 36 Cb 0.00 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 1y4o s ILE 36 CO 0.00 -0.23 1.16 -2.84 0.00 0.00 0.00 174.94 173.03 1y4o s PRO 37 N 4.58 4.27 0.05 2.79 0.02 -1.26 -0.59 135.00 144.85 1y4o s PRO 37 Ca 0.72 1.55 -0.12 0.00 0.02 0.00 0.00 61.00 63.17 1y4o s PRO 37 Cb -0.27 -3.68 -0.32 0.00 0.02 0.00 0.00 34.50 30.24 1y4o s PRO 37 CO 0.29 -0.62 1.06 0.82 -0.33 0.00 0.00 177.00 178.22 1y4o h ILE 38 N 5.39 1.35 -3.02 2.83 5.03 -0.97 -3.47 117.51 124.65 1y4o h ILE 38 Ca -0.25 -2.78 -0.03 0.00 -0.12 0.00 0.00 64.86 61.69 1y4o h ILE 38 Cb 1.10 2.97 -0.12 0.00 -3.03 0.00 0.00 36.82 37.73 1y4o h ILE 38 CO 0.95 0.83 0.16 -0.75 -0.68 0.00 0.00 178.15 178.66 1y4o s LYS 39 N -2.67 1.24 -0.00 2.37 2.20 -1.23 -5.07 119.74 116.57 1y4o s LYS 39 Ca -0.07 -0.48 -0.18 0.00 -0.36 0.00 0.00 55.97 54.88 1y4o s LYS 39 Cb 0.05 0.57 0.03 0.00 -1.51 0.00 0.00 37.83 36.97 1y4o s LYS 39 CO 0.93 -0.53 0.39 0.45 -0.36 0.00 0.00 175.35 176.23 1y4o s SER 40 N -2.69 -0.28 -0.03 1.43 0.15 -1.26 -2.63 113.70 108.39 1y4o s SER 40 Ca 0.01 0.15 0.05 0.00 0.70 0.00 0.00 55.95 56.85 1y4o s SER 40 Cb -0.01 0.37 0.08 0.00 -1.71 0.00 0.00 66.02 64.75 1y4o s SER 40 CO -0.12 -0.53 1.01 0.41 1.20 0.00 0.00 173.24 175.21 1y4o n THR 41 N 1.02 0.53 -4.29 6.45 -1.04 -0.11 -4.88 114.28 111.96 1y4o n THR 41 Ca -0.20 -0.63 -0.20 0.00 -2.04 0.00 0.00 64.05 60.98 1y4o n THR 41 Cb 0.57 0.34 -0.11 0.00 -1.82 0.00 0.00 70.33 69.31 1y4o n THR 41 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1y4o s MET 42 N -0.79 1.17 0.69 -2.82 -2.45 -1.23 -4.11 119.30 109.75 1y4o s MET 42 Ca 0.08 -1.36 -0.16 0.00 -1.25 0.00 0.00 55.69 53.01 1y4o s MET 42 Cb 0.07 -1.10 0.01 0.00 1.25 0.00 0.00 34.83 35.07 1y4o s MET 42 CO 0.01 0.21 1.22 -0.51 1.05 0.00 0.00 175.02 177.00 1y4o s ASP 43 N -2.66 4.47 0.08 1.11 1.11 -1.26 -4.80 116.67 114.73 1y4o s ASP 43 Ca 0.14 2.41 -0.24 0.00 0.18 0.00 0.00 52.55 55.04 1y4o s ASP 43 Cb -0.05 -2.60 -0.16 0.00 1.07 0.00 0.00 42.92 41.19 1y4o s ASP 43 CO 0.05 -2.08 1.70 0.78 1.18 0.00 0.00 175.17 176.80 1y4o h ASN 44 N 0.09 -0.05 -0.45 0.27 4.21 -2.01 0.13 115.58 117.78 1y4o h ASN 44 Ca -0.49 -0.03 0.13 0.00 1.21 0.00 0.00 56.30 57.12 1y4o h ASN 44 Cb 1.30 0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 38.50 1y4o h ASN 44 CO 0.51 -0.01 0.33 1.55 -1.29 0.00 0.00 177.43 178.52 1y4o h PRO 45 N -0.08 0.02 0.12 0.81 0.13 -2.01 -0.77 132.00 130.23 1y4o h PRO 45 Ca -0.01 -0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.85 1y4o h PRO 45 Cb 0.07 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 1y4o h PRO 45 CO 0.01 0.01 -1.38 1.15 -0.23 0.00 0.00 178.00 177.57 1y4o h THR 46 N 0.02 1.07 -0.18 1.56 2.02 -1.88 -3.36 112.91 112.16 1y4o h THR 46 Ca 0.22 -2.42 -0.01 0.00 0.77 0.00 0.00 66.41 64.96 1y4o h THR 46 Cb 0.84 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 70.00 1y4o h THR 46 CO -0.01 0.71 0.06 0.71 0.37 0.00 0.00 175.52 177.36 1y4o h THR 47 N -0.29 1.19 -0.83 3.16 1.35 -0.10 -3.02 112.91 114.37 1y4o h THR 47 Ca -0.29 -0.59 0.09 0.00 -0.55 0.00 0.00 66.41 65.07 1y4o h THR 47 Cb 1.77 1.24 -0.07 0.00 -1.73 0.00 0.00 68.15 69.36 1y4o h THR 47 CO 0.07 0.18 0.47 0.74 -0.25 0.00 0.00 175.52 176.74 1y4o h THR 48 N 0.12 0.91 0.79 6.82 2.02 -1.35 0.15 112.91 122.37 1y4o h THR 48 Ca 0.06 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1y4o h THR 48 Cb 0.23 0.05 0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1y4o h THR 48 CO -0.00 0.15 -0.38 1.56 0.37 0.00 0.00 175.52 177.21 1y4o h GLN 49 N 0.80 -1.02 -0.32 6.66 4.20 -1.68 -2.08 115.11 121.66 1y4o h GLN 49 Ca 0.40 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.18 1y4o h GLN 49 Cb 0.36 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 1y4o h GLN 49 CO -0.24 -0.67 0.20 1.88 -0.67 0.00 0.00 178.83 179.33 1y4o h TYR 50 N -1.21 0.41 -0.78 2.96 0.05 -1.38 -0.85 116.97 116.17 1y4o h TYR 50 Ca -0.11 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.72 1y4o h TYR 50 Cb 0.83 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 38.38 1y4o h TYR 50 CO -0.00 0.28 0.48 0.00 -1.05 0.00 0.00 178.16 177.87 1y4o h ALA 51 N 1.09 1.05 0.07 3.88 0.00 -0.74 0.25 119.26 124.86 1y4o h ALA 51 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y4o h ALA 51 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1y4o h ALA 51 CO -0.02 0.23 -0.04 -0.97 0.00 0.00 0.00 179.25 178.45 1y4o h ASN 52 N 0.89 -0.08 0.22 0.00 -0.73 -1.20 -3.33 115.58 111.35 1y4o h ASN 52 Ca 0.33 -0.52 -0.12 0.00 1.87 0.00 0.00 56.30 57.87 1y4o h ASN 52 Cb 0.12 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.71 1y4o h ASN 52 CO -0.15 0.53 -0.44 0.25 -0.37 0.00 0.00 177.43 177.25 1y4o h LEU 53 N -0.76 0.29 -1.72 0.34 5.85 -0.99 -2.87 115.31 115.45 1y4o h LEU 53 Ca -0.01 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1y4o h LEU 53 Cb 0.60 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1y4o h LEU 53 CO 0.02 0.70 0.01 0.24 -0.34 0.00 0.00 178.44 179.07 1y4o h MET 54 N 0.23 0.19 -0.24 1.25 2.86 -0.61 0.31 114.93 118.92 1y4o h MET 54 Ca 0.02 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 1y4o h MET 54 Cb 0.87 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1y4o h MET 54 CO 0.07 0.20 0.06 0.45 1.06 0.00 0.00 176.91 178.74 1y4o h HIS 55 N 0.19 0.41 -0.12 -0.22 3.86 -1.61 0.28 115.15 117.95 1y4o h HIS 55 Ca 0.05 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1y4o h HIS 55 Cb 0.11 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 1y4o h HIS 55 CO 0.00 0.49 -0.01 -0.91 0.86 0.00 0.00 177.93 178.36 1y4o h ASN 56 N 0.22 0.21 -0.49 2.45 4.21 -1.47 -2.52 115.58 118.19 1y4o h ASN 56 Ca 0.08 -0.32 -0.06 0.00 1.21 0.00 0.00 56.30 57.20 1y4o h ASN 56 Cb 0.28 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 1y4o h ASN 56 CO 0.00 0.48 0.06 0.15 -1.29 0.00 0.00 177.43 176.83 1y4o h PHE 57 N -0.07 0.88 -0.74 1.19 3.57 -0.33 -0.40 116.94 121.04 1y4o h PHE 57 Ca 0.03 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1y4o h PHE 57 Cb 0.38 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1y4o h PHE 57 CO 0.04 0.81 0.36 0.82 -2.23 0.00 0.00 178.31 178.10 1y4o h ILE 58 N 0.69 1.24 -0.21 1.41 5.03 -0.46 0.28 117.51 125.49 1y4o h ILE 58 Ca 0.15 -0.67 -0.14 0.00 -0.12 0.00 0.00 64.86 64.07 1y4o h ILE 58 Cb 0.42 0.32 -0.01 0.00 -3.03 0.00 0.00 36.82 34.52 1y4o h ILE 58 CO 0.01 0.28 -0.46 -0.07 -0.68 0.00 0.00 178.15 177.23 1y4o h LEU 59 N 1.04 0.60 -0.73 1.44 3.38 -1.26 0.80 115.31 120.58 1y4o h LEU 59 Ca 0.25 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1y4o h LEU 59 Cb 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1y4o h LEU 59 CO -0.03 0.97 0.32 0.50 0.09 0.00 0.00 178.44 180.29 1y4o h LYS 60 N 0.44 1.08 -0.38 1.13 3.64 -0.63 -1.25 116.57 120.60 1y4o h LYS 60 Ca 0.03 -0.18 -0.15 0.00 -1.27 0.00 0.00 60.65 59.08 1y4o h LYS 60 Cb 0.98 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1y4o h LYS 60 CO 0.09 0.87 -0.36 0.00 -2.27 0.00 0.00 179.45 177.77 1y4o h ALA 61 N 1.16 0.63 -0.94 5.00 0.00 -0.15 -3.00 119.26 121.96 1y4o h ALA 61 Ca 0.25 -0.44 0.11 0.00 0.00 0.00 0.00 54.91 54.82 1y4o h ALA 61 Cb 0.17 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 1y4o h ALA 61 CO -0.03 0.67 0.57 0.00 0.00 0.00 0.00 179.25 180.47 1y4o h ARG 62 N 0.74 0.89 0.13 0.00 2.47 -0.37 -1.52 114.38 116.72 1y4o h ARG 62 Ca 0.07 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1y4o h ARG 62 Cb 0.94 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1y4o h ARG 62 CO 0.09 0.59 -0.09 0.77 0.56 0.00 0.00 179.97 181.89 1y4o h SER 63 N 0.92 -0.22 0.65 7.04 0.02 -1.09 -0.50 113.55 120.36 1y4o h SER 63 Ca 0.46 0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 61.23 1y4o h SER 63 Cb 0.44 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1y4o h SER 63 CO -0.26 -0.14 -0.89 0.74 -1.14 0.00 0.00 176.83 175.14 1y4o h THR 64 N -0.22 1.52 -0.19 -2.27 2.02 -1.50 0.22 112.91 112.49 1y4o h THR 64 Ca -0.01 -2.71 -0.11 0.00 0.77 0.00 0.00 66.41 64.35 1y4o h THR 64 Cb 0.19 2.51 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 1y4o h THR 64 CO 0.00 0.79 -0.35 1.62 0.37 0.00 0.00 175.52 177.95 1y4o h VAL 65 N 0.08 1.29 0.00 3.16 3.04 -1.13 -2.71 116.25 119.98 1y4o h VAL 65 Ca -0.04 -1.44 -0.12 0.00 -1.01 0.00 0.00 66.70 64.09 1y4o h VAL 65 Cb 1.53 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 32.32 1y4o h VAL 65 CO 0.13 0.45 -0.84 0.03 -1.01 0.00 0.00 177.57 176.33 1y4o h ARG 66 N 0.34 0.00 -0.93 4.17 3.08 -0.91 -3.37 114.38 116.76 1y4o h ARG 66 Ca 0.04 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.25 1y4o h ARG 66 Cb 0.78 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.75 1y4o h ARG 66 CO 0.06 0.37 0.60 0.93 -1.07 0.00 0.00 179.97 180.86 1y4o h GLU 67 N 0.00 0.66 -0.58 0.04 5.08 -0.22 -0.56 114.58 119.00 1y4o h GLU 67 Ca -0.06 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 1y4o h GLU 67 Cb 1.41 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1y4o h GLU 67 CO 0.05 0.44 0.15 -0.84 -1.00 0.00 0.00 179.01 177.80 1y4o h ILE 68 N 0.68 1.25 0.00 3.13 3.07 -1.72 -3.48 117.51 120.44 1y4o h ILE 68 Ca 0.49 -0.89 0.00 0.00 1.55 0.00 0.00 64.86 66.01 1y4o h ILE 68 Cb 0.84 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.10 1y4o h ILE 68 CO -0.25 0.33 0.00 -0.67 -1.05 0.00 0.00 178.15 176.51 1y4o n ASP 69 N -4.38 0.00 -0.86 2.16 2.03 -0.22 -4.98 116.55 110.31 1y4o n ASP 69 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1y4o n ASP 69 Cb 0.23 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 1y4o n ASP 69 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1y4o n PRO 70 N -1.09 0.12 -0.26 -0.67 -0.02 -1.23 -3.71 135.00 128.15 1y4o n PRO 70 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.46 1y4o n PRO 70 Cb 0.00 -1.33 0.10 0.00 -0.02 0.00 0.00 33.50 32.24 1y4o n PRO 70 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1y4o h GLN 71 N 1.51 0.83 -5.69 -0.52 4.20 -1.91 -3.42 115.11 110.11 1y4o h GLN 71 Ca 0.00 -0.05 -0.52 0.00 0.06 0.00 0.00 58.65 58.14 1y4o h GLN 71 Cb 0.10 -0.19 -0.14 0.00 0.30 0.00 0.00 27.48 27.56 1y4o h GLN 71 CO 0.00 0.55 -0.70 0.54 -0.67 0.00 0.00 178.83 178.55 1y4o s ASN 72 N -5.72 2.99 0.00 1.46 4.22 -1.24 -5.15 114.94 111.49 1y4o s ASN 72 Ca -0.13 -1.13 -0.12 0.00 -2.14 0.00 0.00 52.86 49.34 1y4o s ASN 72 Cb 0.16 -0.21 0.02 0.00 1.28 0.00 0.00 41.25 42.50 1y4o s ASN 72 CO 0.77 -0.22 0.25 -0.62 -2.04 0.00 0.00 177.10 175.24 1y4o s ASP 73 N -3.45 -0.10 -0.56 3.54 2.15 -1.26 -4.69 116.67 112.30 1y4o s ASP 73 Ca 0.28 -0.07 -0.27 0.00 0.43 0.00 0.00 52.55 52.92 1y4o s ASP 73 Cb 0.01 0.29 -0.00 0.00 -0.30 0.00 0.00 42.92 42.92 1y4o s ASP 73 CO 0.12 -0.46 1.63 -0.22 -0.17 0.00 0.00 175.17 176.06 1y4o s LEU 74 N -1.52 3.35 -0.17 -1.34 0.20 -1.26 -4.81 118.68 113.13 1y4o s LEU 74 Ca -0.12 0.38 0.10 0.00 0.69 0.00 0.00 54.13 55.19 1y4o s LEU 74 Cb -0.05 -2.87 -0.23 0.00 -0.43 0.00 0.00 46.19 42.61 1y4o s LEU 74 CO 0.02 -1.98 0.16 0.41 -0.29 0.00 0.00 176.35 174.67 1y4o n THR 75 N 7.03 1.50 -3.93 3.68 -1.04 -1.26 -4.91 114.28 115.36 1y4o n THR 75 Ca 0.16 -0.76 -0.15 0.00 -2.04 0.00 0.00 64.05 61.26 1y4o n THR 75 Cb 0.50 -0.94 -0.15 0.00 -1.82 0.00 0.00 70.33 67.91 1y4o n THR 75 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1y4o s PHE 76 N -2.53 0.23 -0.35 -1.42 0.40 -1.26 -4.08 117.98 108.96 1y4o s PHE 76 Ca -0.16 0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1y4o s PHE 76 Cb 0.07 -0.28 0.10 0.00 0.51 0.00 0.00 43.02 43.43 1y4o s PHE 76 CO 0.77 -0.08 0.07 -1.17 0.70 0.00 0.00 175.22 175.51 1y4o s LEU 77 N 0.64 4.63 -0.32 -0.37 2.96 -1.11 -5.03 118.68 120.08 1y4o s LEU 77 Ca -0.06 -2.21 -0.05 0.00 -0.22 0.00 0.00 54.13 51.59 1y4o s LEU 77 Cb -0.09 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.04 1y4o s LEU 77 CO -0.01 -0.37 0.06 -0.13 -1.32 0.00 0.00 176.35 174.57 1y4o s ARG 78 N 0.83 2.60 -0.21 1.98 0.52 0.65 -2.23 118.95 123.08 1y4o s ARG 78 Ca 0.11 -1.18 -0.04 0.00 -0.52 0.00 0.00 55.73 54.11 1y4o s ARG 78 Cb -0.20 -3.33 -0.01 0.00 0.52 0.00 0.00 34.95 31.93 1y4o s ARG 78 CO -0.08 -0.62 -0.03 0.42 0.02 0.00 0.00 175.30 175.01 1y4o s ILE 79 N 1.35 3.52 -0.06 1.52 1.01 -0.76 -5.04 121.20 122.74 1y4o s ILE 79 Ca -0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1y4o s ILE 79 Cb -0.19 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1y4o s ILE 79 CO 0.01 0.42 0.12 -0.13 0.00 0.00 0.00 174.94 175.37 1y4o s ARG 80 N 1.35 3.31 0.08 2.79 0.52 -1.26 -0.96 118.95 124.77 1y4o s ARG 80 Ca 0.04 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 1y4o s ARG 80 Cb -0.14 -3.05 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 1y4o s ARG 80 CO -0.01 0.71 0.03 0.43 0.02 0.00 0.00 175.30 176.48 1y4o n SER 81 N 1.54 1.02 0.18 0.23 7.64 -0.70 -4.94 113.62 118.58 1y4o n SER 81 Ca -0.16 -1.40 -0.08 0.00 1.01 0.00 0.00 58.87 58.25 1y4o n SER 81 Cb 0.54 0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.89 1y4o n SER 81 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1y4o h LYS 82 N 0.00 -0.49 0.00 1.43 1.57 -2.02 -3.39 116.57 113.67 1y4o h LYS 82 Ca -0.06 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1y4o h LYS 82 Cb 0.22 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1y4o h LYS 82 CO 0.09 -0.33 -0.00 0.87 -0.57 0.00 0.00 179.45 179.52 1y4o h LYS 83 N -0.87 -0.00 -4.79 3.15 1.79 -1.98 -3.46 116.57 110.40 1y4o h LYS 83 Ca -0.05 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.05 1y4o h LYS 83 Cb 0.39 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 30.90 1y4o h LYS 83 CO 0.09 0.62 -0.56 0.54 -1.08 0.00 0.00 179.45 179.06 1y4o s ASN 84 N -5.83 1.11 -0.05 0.86 4.22 -1.26 -4.59 114.94 109.40 1y4o s ASN 84 Ca -0.17 -1.55 0.05 0.00 -2.14 0.00 0.00 52.86 49.05 1y4o s ASN 84 Cb 0.00 0.42 -0.02 0.00 1.28 0.00 0.00 41.25 42.94 1y4o s ASN 84 CO 0.68 -0.91 -0.20 -0.70 -2.04 0.00 0.00 177.10 173.92 1y4o s GLU 85 N -3.84 2.47 -0.23 3.55 2.12 0.31 -1.73 118.70 121.35 1y4o s GLU 85 Ca 0.38 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.90 1y4o s GLU 85 Cb 0.05 -2.25 0.03 0.00 0.26 0.00 0.00 34.13 32.22 1y4o s GLU 85 CO 0.18 0.52 -0.11 0.96 -0.54 0.00 0.00 175.26 176.27 1y4o s ILE 86 N -0.48 2.46 -0.45 -3.70 -4.36 -0.14 -1.33 121.20 113.20 1y4o s ILE 86 Ca 0.06 -1.18 -0.09 0.00 -0.26 0.00 0.00 60.65 59.18 1y4o s ILE 86 Cb -0.12 -2.25 0.10 0.00 1.25 0.00 0.00 42.46 41.45 1y4o s ILE 86 CO 0.01 0.22 0.30 -0.32 0.24 0.00 0.00 174.94 175.40 1y4o s MET 87 N 1.25 2.51 -0.44 0.37 1.75 -0.49 -1.83 119.30 122.42 1y4o s MET 87 Ca -0.01 -1.64 -0.06 0.00 -1.25 0.00 0.00 55.69 52.73 1y4o s MET 87 Cb -0.17 -3.85 0.11 0.00 2.84 0.00 0.00 34.83 33.77 1y4o s MET 87 CO -0.07 -1.09 0.27 0.08 -0.65 0.00 0.00 175.02 173.56 1y4o s VAL 88 N 1.38 3.70 -0.35 10.11 1.01 -0.95 -1.01 120.40 134.29 1y4o s VAL 88 Ca 0.05 -1.93 -0.19 0.00 0.00 0.00 0.00 61.98 59.91 1y4o s VAL 88 Cb -0.25 -3.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1y4o s VAL 88 CO 0.00 -0.73 0.54 0.00 0.00 0.00 0.00 175.10 174.92 1y4o s ALA 89 N 1.24 3.47 -0.19 5.51 0.00 -0.02 -2.73 121.76 129.04 1y4o s ALA 89 Ca 0.07 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 1y4o s ALA 89 Cb -0.24 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1y4o s ALA 89 CO -0.03 -1.25 1.05 -1.25 0.00 0.00 0.00 175.76 174.28 1y4o s PRO 90 N 2.47 4.30 0.35 0.00 0.04 -1.26 -1.58 135.00 139.33 1y4o s PRO 90 Ca 0.20 1.39 0.08 0.00 0.04 0.00 0.00 61.00 62.72 1y4o s PRO 90 Cb -0.15 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 1y4o s PRO 90 CO 0.14 -0.55 0.11 0.34 0.04 0.00 0.00 177.00 177.08 1y4o s ASP 91 N 1.23 4.51 0.34 6.66 2.15 -0.32 -4.89 116.67 126.35 1y4o s ASP 91 Ca 0.46 -0.87 0.05 0.00 0.43 0.00 0.00 52.55 52.62 1y4o s ASP 91 Cb -0.16 -0.64 0.69 0.00 -0.30 0.00 0.00 42.92 42.50 1y4o s ASP 91 CO 0.10 -0.31 1.90 0.11 -0.17 0.00 0.00 175.17 176.80 1y4o h LYS 92 N 1.60 0.81 0.00 4.34 1.57 -1.95 -3.35 116.57 119.58 1y4o h LYS 92 Ca -0.43 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1y4o h LYS 92 Cb 1.25 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1y4o h LYS 92 CO 0.65 0.53 -0.39 -0.25 -0.57 0.00 0.00 179.45 179.42 1y4o n ASP 93 N -4.52 1.97 -4.74 0.86 9.92 -1.26 -5.01 116.55 113.78 1y4o n ASP 93 Ca 0.15 -0.01 -0.30 0.00 -0.53 0.00 0.00 54.79 54.09 1y4o n ASP 93 Cb 0.31 0.42 -0.08 0.00 -0.64 0.00 0.00 41.12 41.13 1y4o n ASP 93 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1y4o s TYR 94 N -0.81 2.10 -0.16 1.24 1.51 -1.26 -2.02 117.35 117.95 1y4o s TYR 94 Ca 0.00 -0.83 -0.03 0.00 -1.01 0.00 0.00 57.07 55.21 1y4o s TYR 94 Cb 0.00 -1.73 0.05 0.00 -0.11 0.00 0.00 41.96 40.17 1y4o s TYR 94 CO 0.00 0.21 0.03 -0.06 -1.11 0.00 0.00 175.55 174.62 1y4o s PHE 95 N -2.79 0.88 -0.76 2.71 0.08 0.73 -1.18 117.98 117.65 1y4o s PHE 95 Ca 0.20 -0.64 -0.18 0.00 0.12 0.00 0.00 56.93 56.43 1y4o s PHE 95 Cb 0.04 -0.95 0.13 0.00 -0.57 0.00 0.00 43.02 41.67 1y4o s PHE 95 CO 0.11 -0.53 0.89 -0.51 -0.10 0.00 0.00 175.22 175.09 1y4o s LEU 96 N 1.90 5.39 -0.14 -0.37 1.43 -0.61 -2.29 118.68 123.99 1y4o s LEU 96 Ca 0.01 -1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 51.27 1y4o s LEU 96 Cb -0.16 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 1y4o s LEU 96 CO -0.07 -1.04 -0.05 -0.63 0.23 0.00 0.00 176.35 174.78 1y4o s ILE 97 N 2.41 3.80 -0.02 -0.59 1.01 -0.69 -0.84 121.20 126.29 1y4o s ILE 97 Ca 0.21 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1y4o s ILE 97 Cb -0.14 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.70 1y4o s ILE 97 CO -0.01 0.51 -0.01 0.54 0.00 0.00 0.00 174.94 175.97 1y4o s VAL 98 N 0.19 0.15 -0.33 2.92 0.11 -0.18 -0.04 120.40 123.21 1y4o s VAL 98 Ca -0.03 0.02 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 1y4o s VAL 98 Cb -0.14 -0.20 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 1y4o s VAL 98 CO 0.03 0.10 0.20 -0.63 -3.33 0.00 0.00 175.10 171.47 1y4o s ILE 99 N 0.56 4.94 0.35 7.04 1.01 0.40 -1.40 121.20 134.10 1y4o s ILE 99 Ca -0.05 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1y4o s ILE 99 Cb -0.08 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 1y4o s ILE 99 CO -0.01 -0.01 0.20 -1.58 0.00 0.00 0.00 174.94 173.54 1y4o s GLN 100 N 1.66 2.48 -0.01 2.79 0.74 -0.44 0.09 119.66 126.97 1y4o s GLN 100 Ca 0.05 -1.48 -0.23 0.00 0.05 0.00 0.00 55.36 53.75 1y4o s GLN 100 Cb -0.17 -2.27 -0.05 0.00 1.10 0.00 0.00 33.01 31.62 1y4o s GLN 100 CO 0.08 0.08 0.67 -0.80 -0.55 0.00 0.00 175.29 174.78 1y4o s ASN 101 N -3.91 7.04 -0.71 6.67 0.01 -0.67 -0.53 114.94 122.85 1y4o s ASN 101 Ca 0.39 1.24 -0.26 0.00 -0.71 0.00 0.00 52.86 53.53 1y4o s ASN 101 Cb -0.03 -2.41 -0.08 0.00 0.41 0.00 0.00 41.25 39.14 1y4o s ASN 101 CO 0.24 0.02 2.23 -2.16 -1.51 0.00 0.00 177.10 175.92 1y4o s PRO 102 N 0.13 2.08 0.31 -0.60 0.04 -1.26 -4.82 135.00 130.88 1y4o s PRO 102 Ca 0.35 0.60 0.09 0.00 0.04 0.00 0.00 61.00 62.08 1y4o s PRO 102 Cb -0.19 -4.73 -0.05 0.00 0.04 0.00 0.00 34.50 29.58 1y4o s PRO 102 CO 0.19 -3.67 0.02 -0.08 0.04 0.00 0.00 177.00 173.50 1y4o s THR 103 N 12.30 2.92 0.00 1.26 -1.32 -1.26 -5.08 115.64 124.46 1y4o s THR 103 Ca 0.85 -1.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.40 1y4o s THR 103 Cb -0.13 -2.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.06 1y4o s THR 103 CO 0.13 -0.26 0.41 -0.62 -2.21 0.00 0.00 174.62 172.07