#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 1.91 -0.88 1.61 4.02 -1.26 -5.07 115.29 115.62 1y4o s HIS 2 Ca 0.00 -0.41 -0.24 0.00 1.02 0.00 0.00 55.06 55.43 1y4o s HIS 2 Cb 0.00 -1.04 0.05 0.00 -1.02 0.00 0.00 32.58 30.58 1y4o s HIS 2 CO 0.00 0.25 1.32 -1.01 1.02 0.00 0.00 174.74 176.32 1y4o s HIS 3 N -1.21 2.51 -0.06 1.40 0.09 -1.26 -4.97 115.29 111.79 1y4o s HIS 3 Ca 0.09 -0.59 -0.29 0.00 -0.00 0.00 0.00 55.06 54.27 1y4o s HIS 3 Cb -0.10 -4.60 -0.02 0.00 -0.00 0.00 0.00 32.58 27.86 1y4o s HIS 3 CO 0.05 -1.92 0.95 -1.01 -0.00 0.00 0.00 174.74 172.81 1y4o s HIS 4 N 4.94 3.58 0.10 1.40 0.09 -1.26 -4.92 115.29 119.22 1y4o s HIS 4 Ca 0.39 1.58 -0.01 0.00 -0.00 0.00 0.00 55.06 57.01 1y4o s HIS 4 Cb -0.05 -3.10 -0.23 0.00 -0.00 0.00 0.00 32.58 29.20 1y4o s HIS 4 CO 0.01 -0.09 1.20 0.45 -0.00 0.00 0.00 174.74 176.31 1y4o h HIS 5 N 6.94 0.39 -3.28 1.40 -0.00 -2.08 -3.38 115.15 115.13 1y4o h HIS 5 Ca -0.37 -0.27 -0.68 0.00 -0.00 0.00 0.00 60.37 59.05 1y4o h HIS 5 Cb 1.19 -0.02 -0.18 0.00 -0.00 0.00 0.00 27.41 28.40 1y4o h HIS 5 CO 0.69 1.19 0.05 -1.01 -0.00 0.00 0.00 177.93 178.84 1y4o s HIS 6 N -2.76 3.05 -0.87 2.45 4.02 -1.26 -4.97 115.29 114.95 1y4o s HIS 6 Ca -0.03 -0.51 -0.20 0.00 1.02 0.00 0.00 55.06 55.34 1y4o s HIS 6 Cb 0.08 -3.51 0.11 0.00 -1.02 0.00 0.00 32.58 28.23 1y4o s HIS 6 CO 0.87 -1.02 1.12 -1.01 1.02 0.00 0.00 174.74 175.72 1y4o s HIS 7 N 2.63 2.95 0.18 1.40 3.76 -1.26 -4.89 115.29 120.05 1y4o s HIS 7 Ca 0.15 -1.13 -0.17 0.00 -0.15 0.00 0.00 55.06 53.76 1y4o s HIS 7 Cb -0.19 -4.33 0.13 0.00 1.11 0.00 0.00 32.58 29.31 1y4o s HIS 7 CO 0.12 -1.57 1.64 1.25 -0.85 0.00 0.00 174.74 175.33 1y4o h LEU 8 N 10.88 -0.62 -0.78 0.89 7.12 -1.96 0.24 115.31 131.07 1y4o h LEU 8 Ca 0.05 0.16 -0.03 0.00 0.13 0.00 0.00 57.88 58.19 1y4o h LEU 8 Cb 1.03 0.36 -0.00 0.00 -0.53 0.00 0.00 40.66 41.52 1y4o h LEU 8 CO 1.16 -0.21 -0.14 -0.33 -0.13 0.00 0.00 178.44 178.79 1y4o h GLU 9 N -0.08 0.00 0.03 1.25 5.08 -1.99 0.31 114.58 119.18 1y4o h GLU 9 Ca 0.22 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.36 1y4o h GLU 9 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1y4o h GLU 9 CO -0.52 0.14 -0.97 0.00 -1.00 0.00 0.00 179.01 176.66 1y4o h ALA 10 N 1.86 0.40 -0.12 3.43 0.00 -1.49 -2.68 119.26 120.66 1y4o h ALA 10 Ca -0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 53.99 1y4o h ALA 10 Cb 0.83 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1y4o h ALA 10 CO 0.02 0.95 -0.56 1.49 0.00 0.00 0.00 179.25 181.15 1y4o h GLU 11 N 0.10 0.35 0.04 0.00 4.81 0.25 -0.17 114.58 119.96 1y4o h GLU 11 Ca -0.06 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1y4o h GLU 11 Cb 1.64 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.01 1y4o h GLU 11 CO 0.15 0.81 -0.19 0.28 -0.73 0.00 0.00 179.01 179.34 1y4o h VAL 12 N 0.27 0.56 -0.60 0.32 2.07 -0.32 0.15 116.25 118.71 1y4o h VAL 12 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.47 1y4o h VAL 12 Cb 1.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1y4o h VAL 12 CO 0.09 0.00 0.15 -0.33 0.02 0.00 0.00 177.57 177.51 1y4o h GLU 13 N -0.32 0.95 -0.19 1.57 5.08 -1.34 -1.04 114.58 119.28 1y4o h GLU 13 Ca 0.04 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1y4o h GLU 13 Cb 0.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1y4o h GLU 13 CO -0.15 0.87 0.13 1.49 -1.00 0.00 0.00 179.01 180.34 1y4o h GLU 14 N 0.86 0.25 -0.00 2.33 4.81 -0.69 0.14 114.58 122.28 1y4o h GLU 14 Ca 0.19 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.27 1y4o h GLU 14 Cb 0.34 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1y4o h GLU 14 CO 0.00 0.17 -0.65 1.79 -0.73 0.00 0.00 179.01 179.59 1y4o h THR 15 N 0.26 1.47 -0.16 0.32 1.35 -0.66 0.27 112.91 115.76 1y4o h THR 15 Ca 0.07 -2.23 -0.02 0.00 -0.55 0.00 0.00 66.41 63.67 1y4o h THR 15 Cb -0.03 2.20 -0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1y4o h THR 15 CO -0.02 0.64 0.01 0.25 -0.25 0.00 0.00 175.52 176.15 1y4o h LEU 16 N 0.00 0.27 -1.35 3.87 7.12 -0.67 -0.37 115.31 124.18 1y4o h LEU 16 Ca -0.01 -0.29 -0.06 0.00 0.13 0.00 0.00 57.88 57.65 1y4o h LEU 16 Cb 1.15 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.20 1y4o h LEU 16 CO 0.09 0.49 -0.26 0.11 -0.13 0.00 0.00 178.44 178.74 1y4o h LYS 17 N 0.03 0.10 0.11 1.25 1.57 -0.62 -1.12 116.57 117.89 1y4o h LYS 17 Ca 0.05 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1y4o h LYS 17 Cb 0.35 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1y4o h LYS 17 CO 0.01 0.36 -0.17 -0.09 -0.57 0.00 0.00 179.45 178.99 1y4o h ARG 18 N 0.09 -0.33 -0.07 3.15 2.43 -0.55 -0.19 114.38 118.92 1y4o h ARG 18 Ca 0.01 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1y4o h ARG 18 Cb 0.51 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1y4o h ARG 18 CO 0.04 -0.22 0.05 -0.07 -1.51 0.00 0.00 179.97 178.26 1y4o h LEU 19 N -0.34 0.01 0.00 3.80 3.38 -0.19 0.20 115.31 122.17 1y4o h LEU 19 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1y4o h LEU 19 Cb 0.35 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1y4o h LEU 19 CO -0.09 0.01 -0.05 1.56 0.09 0.00 0.00 178.44 179.96 1y4o h GLN 20 N 0.01 0.00 0.00 1.13 4.20 -0.68 -3.28 115.11 116.49 1y4o h GLN 20 Ca 0.03 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1y4o h GLN 20 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1y4o h GLN 20 CO -0.00 0.00 -1.83 0.43 -0.67 0.00 0.00 178.83 176.76 1y4o n SER 21 N -2.83 0.25 -4.73 1.46 7.64 0.43 -4.96 113.62 110.89 1y4o n SER 21 Ca 0.04 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.61 1y4o n SER 21 Cb 0.50 1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 65.00 1y4o n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y4o s GLN 22 N -3.23 4.39 0.34 1.43 -2.07 0.40 -4.99 119.66 115.92 1y4o s GLN 22 Ca -0.06 1.99 -0.22 0.00 -1.82 0.00 0.00 55.36 55.25 1y4o s GLN 22 Cb 0.11 -3.24 -0.10 0.00 -1.09 0.00 0.00 33.01 28.69 1y4o s GLN 22 CO 0.86 -0.29 0.89 0.21 -1.32 0.00 0.00 175.29 175.64 1y4o s LYS 23 N 0.45 4.35 0.00 9.60 2.20 -1.26 -3.83 119.74 131.25 1y4o s LYS 23 Ca 0.59 1.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 1y4o s LYS 23 Cb -0.35 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1y4o s LYS 23 CO 0.34 0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 1y4o n GLY 24 N 0.08 0.42 3.71 5.54 0.00 -1.26 -4.96 105.19 108.72 1y4o n GLY 24 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.16 4.96 -0.11 1.61 -7.23 -1.25 0.12 120.40 116.34 1y4o s VAL 25 Ca 0.00 1.74 0.16 0.00 -1.81 0.00 0.00 61.98 62.07 1y4o s VAL 25 Cb 0.00 -4.17 -0.17 0.00 0.56 0.00 0.00 36.38 32.59 1y4o s VAL 25 CO 0.00 0.20 0.71 0.00 -0.31 0.00 0.00 175.10 175.70 1y4o n GLN 26 N 3.88 0.63 -3.63 4.82 6.02 0.15 -4.93 117.38 124.31 1y4o n GLN 26 Ca 0.02 0.20 -0.10 0.00 -0.01 0.00 0.00 57.00 57.11 1y4o n GLN 26 Cb 0.51 -1.77 -0.07 0.00 1.02 0.00 0.00 30.24 29.94 1y4o n GLN 26 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1y4o s GLY 27 N -4.90 -0.22 -0.10 1.08 0.00 -1.17 -4.86 107.32 97.15 1y4o s GLY 27 Ca -0.04 2.52 -0.03 0.00 0.00 0.00 0.00 44.72 47.16 1y4o s GLY 27 CO 0.82 1.75 0.04 -1.50 0.00 0.00 0.00 173.10 174.20 1y4o s ILE 28 N 0.12 4.64 -0.23 0.90 2.07 -1.26 -0.66 121.20 126.77 1y4o s ILE 28 Ca 0.02 -0.12 -0.04 0.00 -1.41 0.00 0.00 60.65 59.10 1y4o s ILE 28 Cb -0.05 -2.98 0.08 0.00 0.13 0.00 0.00 42.46 39.64 1y4o s ILE 28 CO -0.04 0.60 0.10 -0.63 -1.91 0.00 0.00 174.94 173.05 1y4o s ILE 29 N -0.84 0.09 -0.16 2.00 1.01 0.90 -0.27 121.20 123.94 1y4o s ILE 29 Ca 0.13 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1y4o s ILE 29 Cb -0.12 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.49 1y4o s ILE 29 CO 0.03 -0.46 -0.18 0.68 0.00 0.00 0.00 174.94 175.00 1y4o s VAL 30 N 2.04 2.36 0.08 2.92 -7.23 0.52 -2.76 120.40 118.34 1y4o s VAL 30 Ca 0.05 -0.87 0.08 0.00 -1.81 0.00 0.00 61.98 59.43 1y4o s VAL 30 Cb -0.16 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 1y4o s VAL 30 CO -0.20 0.53 -0.22 0.68 -0.31 0.00 0.00 175.10 175.57 1y4o s VAL 31 N 0.91 1.82 0.78 1.32 -7.23 -1.22 -0.40 120.40 116.38 1y4o s VAL 31 Ca -0.04 -1.46 -0.13 0.00 -1.81 0.00 0.00 61.98 58.54 1y4o s VAL 31 Cb -0.15 -1.62 0.07 0.00 0.56 0.00 0.00 36.38 35.24 1y4o s VAL 31 CO -0.03 0.08 1.14 0.20 -0.31 0.00 0.00 175.10 176.18 1y4o s ASN 32 N -1.66 4.08 0.59 4.85 0.01 0.18 0.18 114.94 123.17 1y4o s ASN 32 Ca 0.08 2.12 0.36 0.00 -0.71 0.00 0.00 52.86 54.71 1y4o s ASN 32 Cb -0.10 -2.56 1.81 0.00 0.41 0.00 0.00 41.25 40.81 1y4o s ASN 32 CO 0.04 -2.33 2.16 0.74 -1.51 0.00 0.00 177.10 176.20 1y4o h THR 33 N -0.88 0.17 0.00 1.60 2.02 -1.80 0.87 112.91 114.90 1y4o h THR 33 Ca -0.45 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1y4o h THR 33 Cb 1.26 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1y4o h THR 33 CO 0.49 0.03 0.00 -0.33 0.37 0.00 0.00 175.52 176.08 1y4o h GLU 34 N 0.00 0.00 -0.47 6.66 5.08 -1.90 -3.47 114.58 120.47 1y4o h GLU 34 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y4o h GLU 34 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1y4o h GLU 34 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1y4o n GLY 35 N 0.50 0.57 2.84 -3.84 0.00 0.30 -5.12 105.19 100.45 1y4o n GLY 35 Ca 0.03 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.58 0.59 0.06 -0.61 1.01 -1.22 -4.91 121.20 114.54 1y4o s ILE 36 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.29 1y4o s ILE 36 Cb 0.00 -0.67 -0.07 0.00 0.01 0.00 0.00 42.46 41.73 1y4o s ILE 36 CO 0.00 0.28 1.51 -2.16 0.00 0.00 0.00 174.94 174.57 1y4o s PRO 37 N 1.56 4.25 -0.17 2.79 0.04 -1.26 0.48 135.00 142.69 1y4o s PRO 37 Ca -0.00 2.16 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 1y4o s PRO 37 Cb -0.13 -3.48 -0.05 0.00 0.04 0.00 0.00 34.50 30.88 1y4o s PRO 37 CO -0.04 -0.61 -0.31 -0.89 0.04 0.00 0.00 177.00 175.19 1y4o n ILE 38 N 4.48 1.45 -4.05 0.56 5.41 0.46 -4.91 119.36 122.76 1y4o n ILE 38 Ca 0.14 0.16 -0.11 0.00 1.00 0.00 0.00 62.75 63.95 1y4o n ILE 38 Cb 0.42 -2.34 -0.11 0.00 -0.71 0.00 0.00 39.64 36.90 1y4o n ILE 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1y4o s LYS 39 N -2.74 0.49 -0.28 0.38 1.02 -1.13 -5.02 119.74 112.46 1y4o s LYS 39 Ca -0.26 -0.82 -0.19 0.00 0.02 0.00 0.00 55.97 54.73 1y4o s LYS 39 Cb 0.04 -0.08 0.09 0.00 -0.52 0.00 0.00 37.83 37.36 1y4o s LYS 39 CO 0.38 -0.01 0.78 0.45 -0.92 0.00 0.00 175.35 176.03 1y4o s SER 40 N -1.84 -0.78 -0.07 2.83 0.15 -1.26 -0.35 113.70 112.38 1y4o s SER 40 Ca -0.08 1.31 0.11 0.00 0.70 0.00 0.00 55.95 57.99 1y4o s SER 40 Cb -0.06 1.32 0.26 0.00 -1.71 0.00 0.00 66.02 65.83 1y4o s SER 40 CO -0.02 -0.21 1.18 0.35 1.20 0.00 0.00 173.24 175.74 1y4o n THR 41 N 3.64 1.52 -4.17 6.45 -2.24 0.63 -4.96 114.28 115.15 1y4o n THR 41 Ca -0.18 -1.54 -0.29 0.00 -2.27 0.00 0.00 64.05 59.77 1y4o n THR 41 Cb 0.58 0.13 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 1y4o n THR 41 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1y4o s MET 42 N -1.91 2.44 0.05 -0.78 0.00 -1.25 -4.66 119.30 113.19 1y4o s MET 42 Ca 0.23 -0.96 -0.36 0.00 0.00 0.00 0.00 55.69 54.60 1y4o s MET 42 Cb 0.17 -2.44 -0.16 0.00 0.00 0.00 0.00 34.83 32.40 1y4o s MET 42 CO 0.06 0.51 1.48 -3.47 0.00 0.00 0.00 175.02 173.59 1y4o n ASP 43 N 0.35 2.20 0.01 1.11 2.03 -1.26 -4.77 116.55 116.22 1y4o n ASP 43 Ca -0.11 1.10 -0.11 0.00 0.52 0.00 0.00 54.79 56.19 1y4o n ASP 43 Cb 0.53 -1.25 -0.05 0.00 -0.72 0.00 0.00 41.12 39.62 1y4o n ASP 43 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 1y4o h ASN 44 N 5.48 -0.08 -0.17 1.67 -1.24 -1.98 0.27 115.58 119.52 1y4o h ASN 44 Ca -0.47 0.02 0.03 0.00 0.71 0.00 0.00 56.30 56.59 1y4o h ASN 44 Cb 1.31 0.05 -0.01 0.00 0.73 0.00 0.00 38.32 40.40 1y4o h ASN 44 CO 0.84 -0.03 0.12 -0.65 -1.29 0.00 0.00 177.43 176.41 1y4o h PRO 45 N -0.01 0.11 -0.07 6.67 0.11 -2.00 0.44 132.00 137.25 1y4o h PRO 45 Ca 0.04 -0.01 -0.17 0.00 0.11 0.00 0.00 66.00 65.97 1y4o h PRO 45 Cb 0.06 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.16 1y4o h PRO 45 CO -0.08 0.07 -0.62 1.15 -0.21 0.00 0.00 178.00 178.32 1y4o h THR 46 N 0.11 1.36 -0.61 -1.15 2.02 -1.71 -3.11 112.91 109.83 1y4o h THR 46 Ca 0.07 -1.95 -0.05 0.00 0.77 0.00 0.00 66.41 65.25 1y4o h THR 46 Cb 0.16 2.30 -0.03 0.00 -1.74 0.00 0.00 68.15 68.84 1y4o h THR 46 CO -0.01 0.59 0.18 0.71 0.37 0.00 0.00 175.52 177.36 1y4o h THR 47 N 0.14 1.25 -0.55 3.16 1.35 0.37 -2.72 112.91 115.90 1y4o h THR 47 Ca -0.06 -0.86 0.07 0.00 -0.55 0.00 0.00 66.41 65.01 1y4o h THR 47 Cb 1.28 0.64 -0.06 0.00 -1.73 0.00 0.00 68.15 68.28 1y4o h THR 47 CO 0.13 0.33 0.23 0.74 -0.25 0.00 0.00 175.52 176.69 1y4o h THR 48 N 0.88 0.85 -0.36 6.82 2.02 -1.02 0.18 112.91 122.29 1y4o h THR 48 Ca 0.20 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1y4o h THR 48 Cb 0.31 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1y4o h THR 48 CO -0.00 0.08 0.23 1.56 0.37 0.00 0.00 175.52 177.75 1y4o h GLN 49 N 0.43 0.47 0.07 6.66 4.20 -1.42 -1.28 115.11 124.24 1y4o h GLN 49 Ca 0.26 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1y4o h GLN 49 Cb 0.27 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1y4o h GLN 49 CO -0.24 0.33 -0.03 1.88 -0.67 0.00 0.00 178.83 180.09 1y4o h TYR 50 N 0.48 -0.08 -0.81 2.96 0.05 -1.14 -3.05 116.97 115.38 1y4o h TYR 50 Ca 0.13 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.97 1y4o h TYR 50 Cb -0.04 0.03 -0.06 0.00 1.01 0.00 0.00 36.73 37.67 1y4o h TYR 50 CO -0.05 0.35 0.50 0.00 -1.05 0.00 0.00 178.16 177.91 1y4o h ALA 51 N 0.33 1.11 0.20 3.88 0.00 -0.59 0.36 119.26 124.54 1y4o h ALA 51 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1y4o h ALA 51 Cb 0.47 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1y4o h ALA 51 CO 0.02 0.23 -0.10 -0.97 0.00 0.00 0.00 179.25 178.43 1y4o h ASN 52 N 0.91 -0.23 -0.11 0.00 -1.24 -1.31 -1.02 115.58 112.58 1y4o h ASN 52 Ca 0.35 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 57.34 1y4o h ASN 52 Cb 0.16 0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.27 1y4o h ASN 52 CO -0.17 -0.16 -0.05 0.25 -1.29 0.00 0.00 177.43 176.01 1y4o h LEU 53 N -0.27 0.24 -1.07 0.34 5.85 -1.33 -3.06 115.31 116.02 1y4o h LEU 53 Ca -0.03 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 1y4o h LEU 53 Cb 0.21 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1y4o h LEU 53 CO 0.05 0.60 0.22 0.24 -0.34 0.00 0.00 178.44 179.20 1y4o h MET 54 N -0.12 0.89 -0.43 1.25 2.86 -0.24 0.25 114.93 119.39 1y4o h MET 54 Ca 0.02 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 1y4o h MET 54 Cb 0.51 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1y4o h MET 54 CO 0.02 0.74 0.09 1.25 1.06 0.00 0.00 176.91 180.06 1y4o h HIS 55 N 0.87 0.74 0.01 -0.22 -0.00 -1.18 0.35 115.15 115.73 1y4o h HIS 55 Ca 0.20 -0.10 -0.21 0.00 -0.00 0.00 0.00 60.37 60.27 1y4o h HIS 55 Cb 0.20 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.40 1y4o h HIS 55 CO 0.01 0.70 -0.92 -2.95 -0.00 0.00 0.00 177.93 174.78 1y4o h ASN 56 N 0.56 0.26 -0.59 3.26 7.08 -1.37 -3.16 115.58 121.62 1y4o h ASN 56 Ca 0.13 -0.22 -0.10 0.00 -3.08 0.00 0.00 56.30 53.04 1y4o h ASN 56 Cb 0.35 -0.08 -0.02 0.00 -2.08 0.00 0.00 38.32 36.49 1y4o h ASN 56 CO 0.00 1.04 -0.00 0.15 -2.08 0.00 0.00 177.43 176.55 1y4o h PHE 57 N 0.10 1.15 -0.94 4.14 3.57 -0.21 -2.81 116.94 121.94 1y4o h PHE 57 Ca -0.05 -0.20 0.08 0.00 3.53 0.00 0.00 57.97 61.33 1y4o h PHE 57 Cb 1.56 -0.30 -0.07 0.00 2.79 0.00 0.00 35.95 39.94 1y4o h PHE 57 CO 0.03 1.01 0.61 0.82 -2.23 0.00 0.00 178.31 178.55 1y4o h ILE 58 N 0.95 1.04 -0.39 1.41 5.03 -0.29 0.68 117.51 125.93 1y4o h ILE 58 Ca 0.17 -0.36 -0.05 0.00 -0.12 0.00 0.00 64.86 64.51 1y4o h ILE 58 Cb 0.56 -0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 34.24 1y4o h ILE 58 CO 0.03 0.19 0.06 0.25 -0.68 0.00 0.00 178.15 178.00 1y4o h LEU 59 N 1.04 0.62 -0.33 1.44 6.46 -1.47 0.18 115.31 123.24 1y4o h LEU 59 Ca 0.42 -0.26 -0.08 0.00 -0.12 0.00 0.00 57.88 57.84 1y4o h LEU 59 Cb 0.27 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 1y4o h LEU 59 CO -0.17 0.72 -0.10 0.50 -0.62 0.00 0.00 178.44 178.77 1y4o h LYS 60 N 0.49 0.65 -0.96 1.25 3.64 -1.19 -2.77 116.57 117.69 1y4o h LYS 60 Ca 0.12 -0.26 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1y4o h LYS 60 Cb 0.36 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.10 1y4o h LYS 60 CO 0.01 0.83 0.62 0.00 -2.27 0.00 0.00 179.45 178.64 1y4o h ALA 61 N 0.80 1.21 -0.23 5.00 0.00 0.59 -1.49 119.26 125.15 1y4o h ALA 61 Ca 0.08 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1y4o h ALA 61 Cb 0.60 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1y4o h ALA 61 CO 0.04 0.63 -0.19 0.00 0.00 0.00 0.00 179.25 179.72 1y4o h ARG 62 N 1.30 -0.19 -0.35 0.00 2.47 -0.52 -0.06 114.38 117.04 1y4o h ARG 62 Ca 0.35 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 59.10 1y4o h ARG 62 Cb -0.13 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.21 1y4o h ARG 62 CO -0.07 -0.13 0.19 0.77 0.56 0.00 0.00 179.97 181.29 1y4o h SER 63 N -0.20 0.29 -0.60 7.04 0.02 -1.14 0.34 113.55 119.30 1y4o h SER 63 Ca 0.13 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1y4o h SER 63 Cb 0.40 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1y4o h SER 63 CO -0.34 0.21 0.00 0.71 -1.14 0.00 0.00 176.83 176.27 1y4o h THR 64 N 0.39 1.27 -0.27 -2.27 1.35 -0.86 -0.76 112.91 111.74 1y4o h THR 64 Ca 0.14 -1.15 -0.10 0.00 -0.55 0.00 0.00 66.41 64.75 1y4o h THR 64 Cb 0.03 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1y4o h THR 64 CO -0.08 0.42 -0.22 0.58 -0.25 0.00 0.00 175.52 175.96 1y4o h VAL 65 N 0.98 1.31 0.00 6.82 2.07 -0.69 -2.99 116.25 123.74 1y4o h VAL 65 Ca 0.17 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1y4o h VAL 65 Cb 0.56 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1y4o h VAL 65 CO 0.03 0.43 -0.11 0.03 0.02 0.00 0.00 177.57 177.97 1y4o h ARG 66 N 0.35 0.00 -0.25 1.57 3.08 -0.75 -2.74 114.38 115.64 1y4o h ARG 66 Ca 0.05 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.17 1y4o h ARG 66 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1y4o h ARG 66 CO 0.06 0.11 0.29 0.93 -1.07 0.00 0.00 179.97 180.29 1y4o h GLU 67 N 0.00 0.00 0.37 0.04 5.08 -0.98 -2.18 114.58 116.91 1y4o h GLU 67 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1y4o h GLU 67 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1y4o h GLU 67 CO 0.01 0.00 -0.18 0.82 -1.00 0.00 0.00 179.01 178.67 1y4o h ILE 68 N 0.00 0.46 0.00 3.13 2.04 -1.65 -3.49 117.51 118.00 1y4o h ILE 68 Ca 0.12 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1y4o h ILE 68 Cb 0.70 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1y4o h ILE 68 CO -0.00 0.09 0.00 -0.67 0.00 0.00 0.00 178.15 177.57 1y4o n ASP 69 N -5.13 0.00 0.00 1.72 -0.08 -0.82 -5.00 116.55 107.24 1y4o n ASP 69 Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 1y4o n ASP 69 Cb 0.27 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.74 1y4o n ASP 69 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1y4o n PRO 70 N -0.54 0.03 0.10 -0.67 -0.02 -1.25 -2.03 135.00 130.61 1y4o n PRO 70 Ca 0.00 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.51 1y4o n PRO 70 Cb 0.00 -1.23 0.42 0.00 -0.02 0.00 0.00 33.50 32.67 1y4o n PRO 70 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 1y4o h GLN 71 N 0.00 0.31 -6.25 -0.52 3.07 -1.94 -3.42 115.11 106.36 1y4o h GLN 71 Ca 0.00 -0.05 -0.58 0.00 0.09 0.00 0.00 58.65 58.12 1y4o h GLN 71 Cb 0.00 -0.05 -0.21 0.00 0.08 0.00 0.00 27.48 27.30 1y4o h GLN 71 CO 0.00 0.34 -0.82 0.54 0.09 0.00 0.00 178.83 178.97 1y4o s ASN 72 N -6.84 2.73 0.14 0.06 4.22 -0.86 -5.14 114.94 109.25 1y4o s ASN 72 Ca -0.06 -0.74 -0.20 0.00 -2.14 0.00 0.00 52.86 49.72 1y4o s ASN 72 Cb 0.16 -0.16 0.05 0.00 1.28 0.00 0.00 41.25 42.58 1y4o s ASN 72 CO 0.73 0.06 0.50 -0.62 -2.04 0.00 0.00 177.10 175.73 1y4o s ASP 73 N -2.13 -0.40 -0.47 3.54 2.15 -1.26 -4.55 116.67 113.55 1y4o s ASP 73 Ca 0.10 -0.16 -0.27 0.00 0.43 0.00 0.00 52.55 52.66 1y4o s ASP 73 Cb -0.09 0.54 -0.05 0.00 -0.30 0.00 0.00 42.92 43.02 1y4o s ASP 73 CO 0.05 -0.91 2.16 -0.22 -0.17 0.00 0.00 175.17 176.08 1y4o s LEU 74 N -2.77 3.39 -0.18 -1.34 2.96 -1.26 -4.74 118.68 114.73 1y4o s LEU 74 Ca 0.02 1.01 0.06 0.00 -0.22 0.00 0.00 54.13 55.00 1y4o s LEU 74 Cb 0.00 -2.77 -0.16 0.00 0.50 0.00 0.00 46.19 43.77 1y4o s LEU 74 CO -0.12 -2.48 -0.09 0.41 -1.32 0.00 0.00 176.35 172.75 1y4o n THR 75 N 7.68 1.13 -3.78 3.68 -1.04 -1.26 -4.70 114.28 115.99 1y4o n THR 75 Ca 0.30 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.05 61.65 1y4o n THR 75 Cb 0.52 -0.97 -0.13 0.00 -1.82 0.00 0.00 70.33 67.93 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 -2.39 -0.22 -0.35 -1.42 0.40 -1.26 -3.69 117.98 109.05 1y4o s PHE 76 Ca -0.20 0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 56.67 1y4o s PHE 76 Cb 0.06 0.03 0.08 0.00 0.51 0.00 0.00 43.02 43.70 1y4o s PHE 76 CO 0.54 -0.14 0.08 -1.17 0.70 0.00 0.00 175.22 175.23 1y4o s LEU 77 N 0.60 4.54 -0.34 -0.37 2.96 0.61 -4.97 118.68 121.70 1y4o s LEU 77 Ca -0.04 -1.69 -0.04 0.00 -0.22 0.00 0.00 54.13 52.13 1y4o s LEU 77 Cb -0.06 -1.74 0.06 0.00 0.50 0.00 0.00 46.19 44.95 1y4o s LEU 77 CO -0.03 -0.39 0.10 -0.13 -1.32 0.00 0.00 176.35 174.58 1y4o s ARG 78 N 1.16 2.44 -0.34 1.98 0.52 1.28 -0.08 118.95 125.91 1y4o s ARG 78 Ca 0.02 -1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 53.78 1y4o s ARG 78 Cb -0.21 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 31.85 1y4o s ARG 78 CO -0.03 -0.74 0.20 0.42 0.02 0.00 0.00 175.30 175.16 1y4o s ILE 79 N 1.31 4.80 -0.18 1.52 -1.09 0.14 -4.97 121.20 122.73 1y4o s ILE 79 Ca -0.01 -0.50 -0.08 0.00 -2.23 0.00 0.00 60.65 57.83 1y4o s ILE 79 Cb -0.20 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1y4o s ILE 79 CO 0.00 -0.05 0.09 -0.13 -1.23 0.00 0.00 174.94 173.62 1y4o s ARG 80 N 1.63 3.96 0.21 2.79 0.52 -1.26 0.24 118.95 127.04 1y4o s ARG 80 Ca 0.04 -0.28 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1y4o s ARG 80 Cb -0.18 -3.26 0.01 0.00 0.52 0.00 0.00 34.95 32.04 1y4o s ARG 80 CO 0.08 0.35 0.11 0.43 0.02 0.00 0.00 175.30 176.29 1y4o n SER 81 N 3.32 1.93 0.09 0.23 7.64 0.10 -4.98 113.62 121.96 1y4o n SER 81 Ca -0.17 -1.78 -0.13 0.00 1.01 0.00 0.00 58.87 57.80 1y4o n SER 81 Cb 0.52 0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.66 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 0.23 0.01 1.43 1.57 -2.02 -3.34 116.57 114.46 1y4o h LYS 82 Ca -0.15 -0.34 -0.31 0.00 -1.87 0.00 0.00 60.65 57.98 1y4o h LYS 82 Cb 0.50 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 1y4o h LYS 82 CO 0.23 1.12 -1.84 1.63 -0.57 0.00 0.00 179.45 180.02 1y4o n LYS 83 N -3.56 0.65 -3.85 3.15 5.02 -1.26 -4.87 118.16 113.44 1y4o n LYS 83 Ca -0.06 0.25 -0.08 0.00 -2.02 0.00 0.00 58.31 56.40 1y4o n LYS 83 Cb 0.94 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1y4o n LYS 83 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1y4o s ASN 84 N -6.12 -0.06 -0.04 4.39 4.22 -1.25 -4.47 114.94 111.61 1y4o s ASN 84 Ca -0.08 -0.95 0.06 0.00 -2.14 0.00 0.00 52.86 49.75 1y4o s ASN 84 Cb 0.08 0.78 -0.01 0.00 1.28 0.00 0.00 41.25 43.38 1y4o s ASN 84 CO 0.82 -1.52 -0.21 -0.70 -2.04 0.00 0.00 177.10 173.45 1y4o s GLU 85 N -3.05 2.00 -0.35 3.55 2.12 0.20 0.01 118.70 123.20 1y4o s GLU 85 Ca 0.15 -0.76 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 1y4o s GLU 85 Cb -0.05 -1.79 0.05 0.00 0.26 0.00 0.00 34.13 32.60 1y4o s GLU 85 CO 0.10 0.37 0.11 0.42 -0.54 0.00 0.00 175.26 175.72 1y4o s ILE 86 N -0.22 3.62 -0.40 -3.70 1.01 0.14 -0.74 121.20 120.90 1y4o s ILE 86 Ca 0.01 -1.30 -0.10 0.00 0.00 0.00 0.00 60.65 59.25 1y4o s ILE 86 Cb -0.11 -3.12 0.06 0.00 0.01 0.00 0.00 42.46 39.30 1y4o s ILE 86 CO 0.02 -0.25 0.25 -0.32 0.00 0.00 0.00 174.94 174.63 1y4o s MET 87 N 1.35 2.70 -0.31 2.79 1.75 -0.38 -0.68 119.30 126.52 1y4o s MET 87 Ca -0.01 -1.31 0.03 0.00 -1.25 0.00 0.00 55.69 53.15 1y4o s MET 87 Cb -0.20 -3.78 0.08 0.00 2.84 0.00 0.00 34.83 33.77 1y4o s MET 87 CO 0.01 -0.86 -0.01 0.08 -0.65 0.00 0.00 175.02 173.59 1y4o s VAL 88 N 1.48 2.26 -0.30 10.11 1.01 0.88 -1.33 120.40 134.51 1y4o s VAL 88 Ca 0.02 -2.05 -0.11 0.00 0.00 0.00 0.00 61.98 59.84 1y4o s VAL 88 Cb -0.22 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1y4o s VAL 88 CO 0.04 -0.37 0.20 0.00 0.00 0.00 0.00 175.10 174.97 1y4o s ALA 89 N 0.99 3.47 -0.14 5.51 0.00 0.11 -0.28 121.76 131.41 1y4o s ALA 89 Ca 0.03 -1.23 -0.29 0.00 0.00 0.00 0.00 51.96 50.46 1y4o s ALA 89 Cb -0.19 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.40 1y4o s ALA 89 CO -0.07 -0.74 1.09 -1.25 0.00 0.00 0.00 175.76 174.80 1y4o s PRO 90 N 1.72 4.33 0.29 0.00 0.04 -1.24 -1.11 135.00 139.03 1y4o s PRO 90 Ca 0.06 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.63 1y4o s PRO 90 Cb -0.17 -3.61 -0.06 0.00 0.04 0.00 0.00 34.50 30.71 1y4o s PRO 90 CO 0.10 -0.50 0.01 0.34 0.04 0.00 0.00 177.00 176.99 1y4o s ASP 91 N 1.34 2.42 0.18 6.66 2.15 -0.81 -4.79 116.67 123.81 1y4o s ASP 91 Ca 0.49 -1.29 -0.10 0.00 0.43 0.00 0.00 52.55 52.08 1y4o s ASP 91 Cb -0.19 -0.10 0.09 0.00 -0.30 0.00 0.00 42.92 42.42 1y4o s ASP 91 CO 0.14 -0.50 1.73 0.11 -0.17 0.00 0.00 175.17 176.48 1y4o h LYS 92 N 2.23 1.00 0.01 4.34 1.79 -2.01 -3.32 116.57 120.61 1y4o h LYS 92 Ca -0.40 -0.20 -0.33 0.00 -2.18 0.00 0.00 60.65 57.54 1y4o h LYS 92 Cb 1.24 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.68 1y4o h LYS 92 CO 0.68 0.86 -2.00 -0.25 -1.08 0.00 0.00 179.45 177.66 1y4o n ASP 93 N -4.38 0.69 -3.08 0.86 9.92 -1.26 -4.68 116.55 114.62 1y4o n ASP 93 Ca 0.04 0.23 -0.09 0.00 -0.53 0.00 0.00 54.79 54.45 1y4o n ASP 93 Cb 0.20 0.25 0.02 0.00 -0.64 0.00 0.00 41.12 40.94 1y4o n ASP 93 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1y4o s TYR 94 N -2.55 0.08 -0.16 1.24 1.13 -1.25 -2.84 117.35 112.99 1y4o s TYR 94 Ca -0.09 -0.72 -0.04 0.00 -1.41 0.00 0.00 57.07 54.81 1y4o s TYR 94 Cb 0.07 0.81 -0.03 0.00 -1.10 0.00 0.00 41.96 41.72 1y4o s TYR 94 CO 0.81 -1.52 -0.02 -0.06 -2.51 0.00 0.00 175.55 172.26 1y4o s PHE 95 N -2.58 3.05 -0.50 -3.49 0.08 0.13 -1.93 117.98 112.74 1y4o s PHE 95 Ca 0.15 -0.27 -0.25 0.00 0.12 0.00 0.00 56.93 56.68 1y4o s PHE 95 Cb -0.05 -1.98 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1y4o s PHE 95 CO 0.11 -0.03 0.95 -0.51 -0.10 0.00 0.00 175.22 175.64 1y4o s LEU 96 N 0.41 4.01 -0.11 -0.37 1.02 -0.27 -3.38 118.68 120.00 1y4o s LEU 96 Ca -0.03 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.06 1y4o s LEU 96 Cb -0.14 -3.05 0.02 0.00 0.02 0.00 0.00 46.19 43.04 1y4o s LEU 96 CO 0.03 -1.15 -0.11 -0.63 0.02 0.00 0.00 176.35 174.51 1y4o s ILE 97 N 3.91 1.23 0.01 -0.59 1.01 -1.11 0.07 121.20 125.71 1y4o s ILE 97 Ca 0.35 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.54 1y4o s ILE 97 Cb -0.11 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1y4o s ILE 97 CO 0.23 0.39 -0.00 0.68 0.00 0.00 0.00 174.94 176.24 1y4o s VAL 98 N 1.29 0.04 -0.36 2.92 -7.23 -0.44 -0.07 120.40 116.55 1y4o s VAL 98 Ca -0.02 -0.33 -0.15 0.00 -1.81 0.00 0.00 61.98 59.67 1y4o s VAL 98 Cb -0.14 -0.11 -0.00 0.00 0.56 0.00 0.00 36.38 36.69 1y4o s VAL 98 CO -0.05 -0.18 0.31 -0.63 -0.31 0.00 0.00 175.10 174.25 1y4o s ILE 99 N -0.54 5.22 0.15 -0.62 1.09 0.16 -1.25 121.20 125.42 1y4o s ILE 99 Ca -0.06 -0.22 0.05 0.00 -1.10 0.00 0.00 60.65 59.31 1y4o s ILE 99 Cb -0.04 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.50 1y4o s ILE 99 CO -0.00 -0.14 0.14 -1.58 -0.10 0.00 0.00 174.94 173.25 1y4o s GLN 100 N 1.86 2.92 0.47 2.79 0.74 0.09 0.31 119.66 128.84 1y4o s GLN 100 Ca 0.08 -0.84 -0.08 0.00 0.05 0.00 0.00 55.36 54.58 1y4o s GLN 100 Cb -0.17 -2.67 -0.05 0.00 1.10 0.00 0.00 33.01 31.22 1y4o s GLN 100 CO 0.11 0.49 0.81 0.54 -0.55 0.00 0.00 175.29 176.70 1y4o s ASN 101 N -3.03 6.35 -1.02 6.67 2.20 0.12 0.62 114.94 126.84 1y4o s ASN 101 Ca 0.31 1.07 -0.24 0.00 -0.94 0.00 0.00 52.86 53.05 1y4o s ASN 101 Cb -0.10 -2.30 -0.09 0.00 -2.00 0.00 0.00 41.25 36.76 1y4o s ASN 101 CO 0.23 -0.56 2.00 -2.16 -2.94 0.00 0.00 177.10 173.68 1y4o s PRO 102 N -4.50 2.32 0.13 3.55 0.04 -1.26 -4.70 135.00 130.58 1y4o s PRO 102 Ca 0.50 -0.58 0.08 0.00 0.04 0.00 0.00 61.00 61.04 1y4o s PRO 102 Cb -0.10 -5.10 -0.04 0.00 0.04 0.00 0.00 34.50 29.30 1y4o s PRO 102 CO 0.41 -3.91 -0.20 -0.08 0.04 0.00 0.00 177.00 173.27 1y4o s THR 103 N 11.51 1.76 0.00 1.26 -1.32 -1.26 -5.13 115.64 122.46 1y4o s THR 103 Ca 0.72 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1y4o s THR 103 Cb -0.05 -1.68 0.00 0.00 -1.51 0.00 0.00 72.50 69.26 1y4o s THR 103 CO 0.07 -0.18 0.17 -0.62 -2.21 0.00 0.00 174.62 171.86