#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4o n HIS 2 N 0.00 -0.02 -3.79 1.61 8.25 -1.26 -4.97 115.22 115.05 1y4o n HIS 2 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1y4o n HIS 2 Cb 0.00 -2.77 -0.12 0.00 1.12 0.00 0.00 29.99 28.21 1y4o n HIS 2 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1y4o s HIS 3 N -2.59 -0.24 0.14 4.41 0.00 -1.26 -5.16 115.29 110.58 1y4o s HIS 3 Ca 0.00 0.59 0.07 0.00 -3.00 0.00 0.00 55.06 52.72 1y4o s HIS 3 Cb 0.00 0.07 -0.04 0.00 -4.00 0.00 0.00 32.58 28.61 1y4o s HIS 3 CO 0.00 -0.13 -0.05 -1.01 -1.00 0.00 0.00 174.74 172.55 1y4o s HIS 4 N 0.30 2.80 -0.27 0.38 0.09 -1.26 -4.77 115.29 112.55 1y4o s HIS 4 Ca -0.02 -0.14 -0.02 0.00 -0.00 0.00 0.00 55.06 54.88 1y4o s HIS 4 Cb -0.03 -1.41 0.16 0.00 -0.00 0.00 0.00 32.58 31.30 1y4o s HIS 4 CO -0.01 0.48 0.48 -1.58 -0.00 0.00 0.00 174.74 174.11 1y4o s HIS 5 N -1.49 -1.20 -0.17 1.40 5.65 -1.26 -5.12 115.29 113.10 1y4o s HIS 5 Ca 0.25 1.26 0.00 0.00 0.25 0.00 0.00 55.06 56.82 1y4o s HIS 5 Cb -0.10 0.29 0.01 0.00 -1.18 0.00 0.00 32.58 31.59 1y4o s HIS 5 CO 0.16 -0.79 -0.16 -1.01 -0.65 0.00 0.00 174.74 172.29 1y4o s HIS 6 N 2.70 2.79 0.07 3.88 0.09 -1.26 -4.47 115.29 119.09 1y4o s HIS 6 Ca 0.16 -1.26 0.00 0.00 -0.00 0.00 0.00 55.06 53.96 1y4o s HIS 6 Cb -0.15 -1.92 0.00 0.00 -0.00 0.00 0.00 32.58 30.51 1y4o s HIS 6 CO -0.18 -0.61 0.00 1.58 -0.00 0.00 0.00 174.74 175.53 1y4o n HIS 7 N 4.35 -2.11 0.20 1.40 -0.00 -1.26 -4.84 115.22 112.96 1y4o n HIS 7 Ca -0.20 0.23 0.04 0.00 -0.00 0.00 0.00 57.72 57.79 1y4o n HIS 7 Cb 0.51 0.85 0.43 0.00 -0.00 0.00 0.00 29.99 31.79 1y4o n HIS 7 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1y4o h LEU 8 N 0.00 0.03 -0.94 0.27 7.12 -2.02 -2.05 115.31 117.72 1y4o h LEU 8 Ca 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1y4o h LEU 8 Cb 0.00 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.12 1y4o h LEU 8 CO 0.00 0.28 0.00 -0.62 -0.13 0.00 0.00 178.44 177.97 1y4o n GLU 9 N -4.23 1.63 0.05 1.25 1.02 -1.26 -2.26 120.64 116.84 1y4o n GLU 9 Ca -0.02 -0.93 -0.09 0.00 -0.02 0.00 0.00 57.16 56.10 1y4o n GLU 9 Cb 0.31 -1.43 0.04 0.00 -0.02 0.00 0.00 31.44 30.34 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 4.16 0.64 -0.51 0.62 0.00 -1.72 -0.37 119.26 122.09 1y4o h ALA 10 Ca 0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1y4o h ALA 10 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1y4o h ALA 10 CO 0.00 0.76 0.29 1.49 0.00 0.00 0.00 179.25 181.78 1y4o h GLU 11 N 0.27 0.71 0.21 0.00 4.81 -1.53 -1.98 114.58 117.06 1y4o h GLU 11 Ca -0.02 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1y4o h GLU 11 Cb 1.26 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1y4o h GLU 11 CO 0.12 0.55 -0.10 0.28 -0.73 0.00 0.00 179.01 179.13 1y4o h VAL 12 N 0.68 0.87 -0.89 0.32 2.07 -1.33 -2.02 116.25 115.96 1y4o h VAL 12 Ca 0.18 -0.47 0.11 0.00 0.82 0.00 0.00 66.70 67.34 1y4o h VAL 12 Cb 0.04 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1y4o h VAL 12 CO -0.03 0.11 0.57 -0.33 0.02 0.00 0.00 177.57 177.91 1y4o h GLU 13 N -0.52 0.80 -0.52 1.57 5.08 -0.98 0.16 114.58 120.19 1y4o h GLU 13 Ca -0.03 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 1y4o h GLU 13 Cb 0.39 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1y4o h GLU 13 CO 0.05 0.53 -0.17 1.49 -1.00 0.00 0.00 179.01 179.91 1y4o h GLU 14 N 0.83 1.02 -0.28 2.33 4.81 -1.31 -2.02 114.58 119.96 1y4o h GLU 14 Ca 0.42 -0.41 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1y4o h GLU 14 Cb 0.49 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1y4o h GLU 14 CO -0.19 1.10 -0.24 1.15 -0.73 0.00 0.00 179.01 180.10 1y4o h THR 15 N 0.89 1.27 -0.11 0.32 2.02 -0.21 -2.28 112.91 114.81 1y4o h THR 15 Ca 0.13 -1.28 -0.08 0.00 0.77 0.00 0.00 66.41 65.95 1y4o h THR 15 Cb 0.75 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1y4o h THR 15 CO 0.06 0.41 -0.28 0.25 0.37 0.00 0.00 175.52 176.33 1y4o h LEU 16 N 0.48 0.19 -0.02 2.58 7.12 -0.45 -0.71 115.31 124.51 1y4o h LEU 16 Ca 0.07 -0.06 -0.00 0.00 0.13 0.00 0.00 57.88 58.02 1y4o h LEU 16 Cb 0.68 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.76 1y4o h LEU 16 CO 0.05 0.47 0.01 0.50 -0.13 0.00 0.00 178.44 179.34 1y4o h LYS 17 N 0.17 0.04 0.00 1.25 3.64 -0.84 -2.01 116.57 118.82 1y4o h LYS 17 Ca 0.03 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1y4o h LYS 17 Cb 0.59 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1y4o h LYS 17 CO 0.04 0.25 -0.28 0.07 -2.27 0.00 0.00 179.45 177.26 1y4o h ARG 18 N -0.18 0.00 -0.51 1.90 0.11 -1.13 -2.27 114.38 112.29 1y4o h ARG 18 Ca 0.01 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.04 1y4o h ARG 18 Cb 0.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.28 1y4o h ARG 18 CO 0.00 0.28 0.12 -0.07 0.10 0.00 0.00 179.97 180.40 1y4o h LEU 19 N 0.00 0.71 -0.00 0.08 3.38 -0.67 -0.22 115.31 118.59 1y4o h LEU 19 Ca -0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1y4o h LEU 19 Cb 0.52 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1y4o h LEU 19 CO 0.04 0.70 -0.01 0.00 0.09 0.00 0.00 178.44 179.26 1y4o n GLN 20 N -4.29 0.24 -0.39 1.13 6.02 -0.80 -3.33 117.38 115.96 1y4o n GLN 20 Ca 0.04 -0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 1y4o n GLN 20 Cb 0.22 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.23 1y4o n GLN 20 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1y4o n SER 21 N -1.38 3.79 -4.11 1.08 7.64 -0.14 -4.85 113.62 115.66 1y4o n SER 21 Ca 0.11 -2.45 -0.34 0.00 1.01 0.00 0.00 58.87 57.19 1y4o n SER 21 Cb 0.29 -0.44 -0.13 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.83 1.98 0.58 1.43 -2.07 -0.93 -4.98 119.66 113.85 1y4o s GLN 22 Ca 0.38 -1.68 0.34 0.00 -1.82 0.00 0.00 55.36 52.57 1y4o s GLN 22 Cb 0.25 -3.37 1.87 0.00 -1.09 0.00 0.00 33.01 30.67 1y4o s GLN 22 CO 0.16 -0.91 2.04 1.57 -1.32 0.00 0.00 175.29 176.83 1y4o h LYS 23 N 7.92 0.00 0.00 9.60 -0.00 -1.89 -2.39 116.57 129.81 1y4o h LYS 23 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.52 1y4o h LYS 23 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 1y4o h LYS 23 CO 0.61 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 180.47 1y4o n GLY 24 N -1.17 -1.16 3.72 0.07 0.00 -1.26 -4.80 105.19 100.59 1y4o n GLY 24 Ca -0.02 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.82 3.80 -0.12 1.61 -7.23 -0.90 -0.53 120.40 114.20 1y4o s VAL 25 Ca 0.15 1.36 0.20 0.00 -1.81 0.00 0.00 61.98 61.87 1y4o s VAL 25 Cb 0.15 -3.87 -0.21 0.00 0.56 0.00 0.00 36.38 33.01 1y4o s VAL 25 CO 0.38 0.14 0.58 0.00 -0.31 0.00 0.00 175.10 175.89 1y4o n GLN 26 N 3.48 0.65 -3.64 4.82 6.02 0.21 -4.91 117.38 124.01 1y4o n GLN 26 Ca 0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 57.01 1y4o n GLN 26 Cb 0.45 -1.65 -0.07 0.00 1.02 0.00 0.00 30.24 30.00 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 -4.76 -0.57 -0.40 1.08 0.00 -0.68 -4.78 107.32 97.21 1y4o s GLY 27 Ca -0.06 2.51 -0.13 0.00 0.00 0.00 0.00 44.72 47.04 1y4o s GLY 27 CO 0.85 2.44 0.27 -0.42 0.00 0.00 0.00 173.10 176.23 1y4o s ILE 28 N 1.62 4.81 -0.62 0.90 1.01 -1.26 -0.38 121.20 127.29 1y4o s ILE 28 Ca -0.10 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.58 1y4o s ILE 28 Cb -0.05 -3.74 0.16 0.00 0.01 0.00 0.00 42.46 38.84 1y4o s ILE 28 CO -0.19 -0.34 0.48 -0.63 0.00 0.00 0.00 174.94 174.25 1y4o s ILE 29 N 1.58 4.29 -0.31 2.92 1.01 0.62 -2.60 121.20 128.71 1y4o s ILE 29 Ca 0.03 -2.45 -0.06 0.00 0.00 0.00 0.00 60.65 58.17 1y4o s ILE 29 Cb -0.20 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1y4o s ILE 29 CO 0.07 -0.87 0.07 0.54 0.00 0.00 0.00 174.94 174.74 1y4o s VAL 30 N 0.47 3.66 0.38 2.92 0.11 -0.99 -1.12 120.40 125.84 1y4o s VAL 30 Ca 0.13 -1.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.24 1y4o s VAL 30 Cb -0.20 -2.99 -0.07 0.00 -1.53 0.00 0.00 36.38 31.59 1y4o s VAL 30 CO -0.04 -0.04 0.03 0.68 -3.33 0.00 0.00 175.10 172.40 1y4o s VAL 31 N 1.41 1.63 0.65 2.04 -7.23 -1.01 -0.58 120.40 117.31 1y4o s VAL 31 Ca -0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 1y4o s VAL 31 Cb -0.18 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.91 1y4o s VAL 31 CO 0.02 0.00 0.98 0.20 -0.31 0.00 0.00 175.10 175.99 1y4o s ASN 32 N -3.63 5.37 0.49 4.85 0.01 0.12 -0.49 114.94 121.66 1y4o s ASN 32 Ca 0.34 0.77 0.18 0.00 -0.71 0.00 0.00 52.86 53.44 1y4o s ASN 32 Cb 0.09 -1.64 1.20 0.00 0.41 0.00 0.00 41.25 41.31 1y4o s ASN 32 CO 0.16 -1.26 2.06 0.74 -1.51 0.00 0.00 177.10 177.29 1y4o h THR 33 N -0.41 0.97 0.00 1.60 2.02 -1.60 0.19 112.91 115.68 1y4o h THR 33 Ca -0.45 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1y4o h THR 33 Cb 1.27 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1y4o h THR 33 CO 0.62 0.12 0.00 -1.84 0.37 0.00 0.00 175.52 174.78 1y4o n GLU 34 N -4.22 0.97 -0.65 6.66 0.00 -1.26 -4.62 120.64 117.51 1y4o n GLU 34 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1y4o n GLU 34 Cb 0.20 -1.34 0.00 0.00 0.00 0.00 0.00 31.44 30.30 1y4o n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y4o n GLY 35 N 0.79 0.82 3.70 -1.84 0.00 0.06 -4.88 105.19 103.84 1y4o n GLY 35 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.22 4.03 0.14 -0.61 1.01 -1.26 -4.72 121.20 116.58 1y4o s ILE 36 Ca 0.00 1.41 -0.31 0.00 0.00 0.00 0.00 60.65 61.74 1y4o s ILE 36 Cb 0.00 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 1y4o s ILE 36 CO 0.00 0.04 1.52 -2.84 0.00 0.00 0.00 174.94 173.66 1y4o s PRO 37 N 1.85 4.25 -0.20 2.79 0.02 -1.26 0.13 135.00 142.58 1y4o s PRO 37 Ca 0.59 2.27 -0.16 0.00 0.02 0.00 0.00 61.00 63.72 1y4o s PRO 37 Cb -0.28 -3.20 -0.11 0.00 0.02 0.00 0.00 34.50 30.93 1y4o s PRO 37 CO 0.26 -0.56 -0.11 -0.89 -0.33 0.00 0.00 177.00 175.36 1y4o n ILE 38 N 4.00 1.50 -3.68 2.83 5.41 0.25 -4.87 119.36 124.80 1y4o n ILE 38 Ca 0.13 -0.01 -0.10 0.00 1.00 0.00 0.00 62.75 63.77 1y4o n ILE 38 Cb 0.40 -2.15 -0.04 0.00 -0.71 0.00 0.00 39.64 37.13 1y4o n ILE 38 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1y4o s LYS 39 N -2.45 1.24 0.01 0.38 2.20 -0.88 -5.05 119.74 115.20 1y4o s LYS 39 Ca -0.27 -0.78 -0.28 0.00 -0.36 0.00 0.00 55.97 54.28 1y4o s LYS 39 Cb 0.06 0.50 0.08 0.00 -1.51 0.00 0.00 37.83 36.96 1y4o s LYS 39 CO 0.44 -0.51 0.70 0.45 -0.36 0.00 0.00 175.35 176.07 1y4o s SER 40 N -2.84 -0.58 -0.06 1.43 0.15 -1.25 -2.35 113.70 108.20 1y4o s SER 40 Ca 0.06 0.38 0.09 0.00 0.70 0.00 0.00 55.95 57.18 1y4o s SER 40 Cb 0.00 0.52 0.14 0.00 -1.71 0.00 0.00 66.02 64.97 1y4o s SER 40 CO -0.07 -0.71 1.06 0.35 1.20 0.00 0.00 173.24 175.07 1y4o n THR 41 N 0.35 0.92 -4.73 6.45 -2.24 -1.07 -4.93 114.28 109.03 1y4o n THR 41 Ca -0.17 -1.09 -0.32 0.00 -2.27 0.00 0.00 64.05 60.20 1y4o n THR 41 Cb 0.60 0.17 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 1y4o n THR 41 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1y4o n MET 42 N -0.69 0.77 -2.53 -0.78 2.81 -1.26 -4.75 117.12 110.69 1y4o n MET 42 Ca 0.08 -3.64 -0.41 0.00 -1.81 0.00 0.00 57.70 51.91 1y4o n MET 42 Cb 0.65 1.05 -0.04 0.00 -0.71 0.00 0.00 33.22 34.18 1y4o n MET 42 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1y4o s ASP 43 N -3.74 7.26 0.13 7.83 1.01 -1.26 -4.96 116.67 122.94 1y4o s ASP 43 Ca 0.02 2.01 -0.20 0.00 0.71 0.00 0.00 52.55 55.08 1y4o s ASP 43 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1y4o s ASP 43 CO 0.01 -0.26 1.70 0.78 0.21 0.00 0.00 175.17 177.61 1y4o h ASN 44 N 5.66 -0.22 -0.45 0.27 2.35 -1.99 -1.37 115.58 119.83 1y4o h ASN 44 Ca -0.43 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.42 1y4o h ASN 44 Cb 1.21 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.69 1y4o h ASN 44 CO 0.74 -0.09 0.30 -0.65 -1.65 0.00 0.00 177.43 176.09 1y4o h PRO 45 N -0.03 0.45 -0.07 0.81 0.11 -2.00 -1.39 132.00 129.88 1y4o h PRO 45 Ca 0.09 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 66.01 1y4o h PRO 45 Cb 0.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1y4o h PRO 45 CO -0.21 0.30 -0.67 1.15 -0.21 0.00 0.00 178.00 178.36 1y4o h THR 46 N 0.47 1.40 -0.44 -1.15 2.02 -1.82 -1.61 112.91 111.78 1y4o h THR 46 Ca 0.18 -2.10 -0.10 0.00 0.77 0.00 0.00 66.41 65.17 1y4o h THR 46 Cb 0.16 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1y4o h THR 46 CO -0.05 0.62 -0.11 0.71 0.37 0.00 0.00 175.52 177.07 1y4o h THR 47 N 0.21 1.27 -0.60 3.16 1.35 -0.19 -2.35 112.91 115.76 1y4o h THR 47 Ca -0.02 -1.22 -0.06 0.00 -0.55 0.00 0.00 66.41 64.56 1y4o h THR 47 Cb 1.21 1.16 -0.03 0.00 -1.73 0.00 0.00 68.15 68.77 1y4o h THR 47 CO 0.11 0.42 0.14 0.74 -0.25 0.00 0.00 175.52 176.67 1y4o h THR 48 N 0.68 1.24 0.47 6.82 2.02 -1.35 -0.37 112.91 122.43 1y4o h THR 48 Ca 0.11 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1y4o h THR 48 Cb 0.65 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1y4o h THR 48 CO 0.04 0.33 -0.51 -0.61 0.37 0.00 0.00 175.52 175.15 1y4o h GLN 49 N 0.90 -0.95 -0.59 6.66 4.15 -0.99 -1.48 115.11 122.81 1y4o h GLN 49 Ca 0.19 0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.60 1y4o h GLN 49 Cb 0.33 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 1y4o h GLN 49 CO 0.00 -0.63 0.06 1.88 -1.93 0.00 0.00 178.83 178.21 1y4o h TYR 50 N -0.99 1.04 -0.14 3.99 -1.99 -1.37 -2.59 116.97 114.93 1y4o h TYR 50 Ca -0.06 -0.14 0.03 0.00 2.00 0.00 0.00 58.73 60.55 1y4o h TYR 50 Cb 0.86 -0.28 -0.03 0.00 2.00 0.00 0.00 36.73 39.28 1y4o h TYR 50 CO -0.27 0.90 -0.03 0.00 -0.00 0.00 0.00 178.16 178.76 1y4o h ALA 51 N 1.15 0.10 -0.06 3.88 0.00 -0.79 0.65 119.26 124.18 1y4o h ALA 51 Ca 0.18 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1y4o h ALA 51 Cb 0.45 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1y4o h ALA 51 CO 0.02 -0.48 -0.61 -0.91 0.00 0.00 0.00 179.25 177.27 1y4o h ASN 52 N 0.01 0.64 -0.15 0.00 2.35 -1.28 -2.70 115.58 114.45 1y4o h ASN 52 Ca 0.07 -0.69 -0.02 0.00 -0.55 0.00 0.00 56.30 55.10 1y4o h ASN 52 Cb 0.10 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1y4o h ASN 52 CO -0.14 1.24 0.00 0.25 -1.65 0.00 0.00 177.43 177.13 1y4o h LEU 53 N 0.09 0.27 -1.14 1.61 7.12 -1.36 -2.90 115.31 119.00 1y4o h LEU 53 Ca -0.06 -0.31 -0.08 0.00 0.13 0.00 0.00 57.88 57.56 1y4o h LEU 53 Cb 1.28 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.32 1y4o h LEU 53 CO 0.12 0.51 -0.40 -0.03 -0.13 0.00 0.00 178.44 178.51 1y4o h MET 54 N 0.02 0.00 -0.58 1.25 4.05 -0.98 -2.71 114.93 115.99 1y4o h MET 54 Ca 0.04 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1y4o h MET 54 Cb 0.37 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 1y4o h MET 54 CO 0.01 0.40 0.36 1.25 0.23 0.00 0.00 176.91 179.15 1y4o h HIS 55 N 0.00 0.75 -0.38 1.39 -0.00 -1.28 0.21 115.15 115.84 1y4o h HIS 55 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 1y4o h HIS 55 Cb 0.78 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.92 1y4o h HIS 55 CO 0.00 0.50 -0.14 -0.91 -0.00 0.00 0.00 177.93 177.38 1y4o h ASN 56 N 0.78 0.67 -0.54 3.26 4.21 -1.36 -2.73 115.58 119.88 1y4o h ASN 56 Ca 0.21 -0.20 -0.11 0.00 1.21 0.00 0.00 56.30 57.41 1y4o h ASN 56 Cb -0.04 -0.18 -0.02 0.00 -1.12 0.00 0.00 38.32 36.96 1y4o h ASN 56 CO -0.04 0.83 -0.08 0.15 -1.29 0.00 0.00 177.43 177.00 1y4o h PHE 57 N 0.61 1.11 -0.61 1.19 3.57 -1.04 -2.63 116.94 119.16 1y4o h PHE 57 Ca 0.10 -0.22 0.04 0.00 3.53 0.00 0.00 57.97 61.42 1y4o h PHE 57 Cb 0.59 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1y4o h PHE 57 CO 0.03 1.03 0.35 0.82 -2.23 0.00 0.00 178.31 178.31 1y4o h ILE 58 N 0.88 1.01 -0.69 1.41 5.03 -0.42 0.55 117.51 125.28 1y4o h ILE 58 Ca 0.14 -0.23 -0.06 0.00 -0.12 0.00 0.00 64.86 64.60 1y4o h ILE 58 Cb 0.65 0.28 -0.03 0.00 -3.03 0.00 0.00 36.82 34.69 1y4o h ILE 58 CO 0.04 0.12 0.21 0.25 -0.68 0.00 0.00 178.15 178.10 1y4o h LEU 59 N 0.67 1.00 -0.27 1.44 6.46 -1.35 -0.85 115.31 122.42 1y4o h LEU 59 Ca 0.26 -0.21 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 1y4o h LEU 59 Cb 0.10 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 1y4o h LEU 59 CO -0.14 0.95 -0.22 0.50 -0.62 0.00 0.00 178.44 178.91 1y4o h LYS 60 N 1.01 0.62 -0.75 1.25 3.64 -1.07 -2.95 116.57 118.32 1y4o h LYS 60 Ca 0.22 -0.31 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1y4o h LYS 60 Cb 0.31 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1y4o h LYS 60 CO -0.01 0.91 0.46 0.00 -2.27 0.00 0.00 179.45 178.54 1y4o h ALA 61 N 0.70 1.00 -0.96 5.00 0.00 0.37 -1.66 119.26 123.71 1y4o h ALA 61 Ca 0.05 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1y4o h ALA 61 Cb 0.77 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1y4o h ALA 61 CO 0.06 0.21 0.60 0.00 0.00 0.00 0.00 179.25 180.11 1y4o h ARG 62 N 0.86 0.96 -0.06 0.00 2.47 -1.09 0.14 114.38 117.67 1y4o h ARG 62 Ca 0.32 -0.06 -0.18 0.00 -1.26 0.00 0.00 59.98 58.80 1y4o h ARG 62 Cb 0.10 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1y4o h ARG 62 CO -0.15 0.64 -0.72 0.77 0.56 0.00 0.00 179.97 181.08 1y4o h SER 63 N 0.99 0.39 0.52 7.04 0.02 -1.16 -0.61 113.55 120.74 1y4o h SER 63 Ca 0.46 -0.25 -0.29 0.00 -0.84 0.00 0.00 61.79 60.86 1y4o h SER 63 Cb 0.38 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1y4o h SER 63 CO -0.24 0.98 -1.36 0.74 -1.14 0.00 0.00 176.83 175.81 1y4o h THR 64 N 0.22 1.37 -0.36 -2.27 2.02 -0.76 -1.41 112.91 111.73 1y4o h THR 64 Ca -0.03 -2.93 -0.16 0.00 0.77 0.00 0.00 66.41 64.06 1y4o h THR 64 Cb 1.28 2.91 -0.01 0.00 -1.74 0.00 0.00 68.15 70.60 1y4o h THR 64 CO 0.12 0.86 -0.41 1.62 0.37 0.00 0.00 175.52 178.08 1y4o h VAL 65 N 0.09 1.27 0.00 3.16 3.04 -0.64 -2.74 116.25 120.43 1y4o h VAL 65 Ca -0.18 -1.59 -0.08 0.00 -1.01 0.00 0.00 66.70 63.84 1y4o h VAL 65 Cb 2.02 1.43 -0.01 0.00 -2.01 0.00 0.00 31.29 32.72 1y4o h VAL 65 CO 0.21 0.53 -0.38 0.03 -1.01 0.00 0.00 177.57 176.95 1y4o h ARG 66 N 0.72 0.00 -0.57 4.17 3.08 -1.20 -3.25 114.38 117.34 1y4o h ARG 66 Ca 0.05 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.20 1y4o h ARG 66 Cb 1.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1y4o h ARG 66 CO 0.10 0.38 0.38 1.49 -1.07 0.00 0.00 179.97 181.25 1y4o h GLU 67 N 0.00 0.33 0.42 0.04 4.81 -0.93 -2.12 114.58 117.13 1y4o h GLU 67 Ca -0.00 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1y4o h GLU 67 Cb 1.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1y4o h GLU 67 CO 0.05 0.22 -0.31 0.82 -0.73 0.00 0.00 179.01 179.06 1y4o h ILE 68 N 0.34 0.36 0.00 2.32 2.04 -1.59 -3.48 117.51 117.51 1y4o h ILE 68 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1y4o h ILE 68 Cb 0.58 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1y4o h ILE 68 CO -0.06 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.42 1y4o n ASP 69 N -5.43 0.00 -0.92 1.72 2.03 -0.80 -5.01 116.55 108.14 1y4o n ASP 69 Ca -0.11 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.20 1y4o n ASP 69 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1y4o n ASP 69 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1y4o n PRO 70 N -0.36 0.22 0.16 -0.67 -0.04 -1.25 -3.91 135.00 129.16 1y4o n PRO 70 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1y4o n PRO 70 Cb 0.00 -1.34 -0.08 0.00 -0.04 0.00 0.00 33.50 32.04 1y4o n PRO 70 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1y4o h GLN 71 N 1.43 -0.36 -5.49 0.54 4.20 -1.92 -3.46 115.11 110.05 1y4o h GLN 71 Ca 0.00 0.02 -0.55 0.00 0.06 0.00 0.00 58.65 58.18 1y4o h GLN 71 Cb 0.20 0.08 -0.13 0.00 0.30 0.00 0.00 27.48 27.93 1y4o h GLN 71 CO 0.00 -0.14 -0.61 0.54 -0.67 0.00 0.00 178.83 177.95 1y4o s ASN 72 N -4.99 3.17 -0.10 1.46 4.22 -1.25 -5.15 114.94 112.30 1y4o s ASN 72 Ca -0.15 -1.35 -0.15 0.00 -2.14 0.00 0.00 52.86 49.08 1y4o s ASN 72 Cb 0.04 -0.25 0.03 0.00 1.28 0.00 0.00 41.25 42.35 1y4o s ASN 72 CO 0.62 -0.49 0.38 -0.62 -2.04 0.00 0.00 177.10 174.94 1y4o s ASP 73 N -3.59 -0.34 -0.11 3.54 2.15 -1.26 -4.69 116.67 112.36 1y4o s ASP 73 Ca 0.35 0.54 -0.20 0.00 0.43 0.00 0.00 52.55 53.67 1y4o s ASP 73 Cb 0.09 0.62 -0.04 0.00 -0.30 0.00 0.00 42.92 43.29 1y4o s ASP 73 CO 0.16 -0.26 0.57 -1.48 -0.17 0.00 0.00 175.17 173.99 1y4o s LEU 74 N -0.38 4.27 -0.09 -1.34 0.05 -1.26 -4.91 118.68 115.02 1y4o s LEU 74 Ca -0.05 0.94 0.18 0.00 0.05 0.00 0.00 54.13 55.24 1y4o s LEU 74 Cb -0.03 -2.85 -0.24 0.00 -2.05 0.00 0.00 46.19 41.02 1y4o s LEU 74 CO 0.02 -0.08 0.39 0.41 -0.55 0.00 0.00 176.35 176.54 1y4o n THR 75 N 3.88 1.15 -4.05 5.48 -1.04 -1.26 -4.82 114.28 113.61 1y4o n THR 75 Ca -0.04 -0.75 -0.15 0.00 -2.04 0.00 0.00 64.05 61.07 1y4o n THR 75 Cb 0.51 -0.53 -0.14 0.00 -1.82 0.00 0.00 70.33 68.35 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 -2.77 0.31 -0.41 -1.42 0.40 -1.26 -3.96 117.98 108.87 1y4o s PHE 76 Ca -0.07 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1y4o s PHE 76 Cb 0.08 -0.22 0.12 0.00 0.51 0.00 0.00 43.02 43.51 1y4o s PHE 76 CO 0.84 -0.02 0.20 -1.17 0.70 0.00 0.00 175.22 175.76 1y4o s LEU 77 N 0.03 2.80 -0.20 -0.37 2.96 1.00 -4.99 118.68 119.90 1y4o s LEU 77 Ca 0.00 -2.39 -0.02 0.00 -0.22 0.00 0.00 54.13 51.50 1y4o s LEU 77 Cb -0.03 -1.06 0.00 0.00 0.50 0.00 0.00 46.19 45.60 1y4o s LEU 77 CO -0.00 -0.31 -0.09 0.00 -1.32 0.00 0.00 176.35 174.63 1y4o s ARG 78 N 0.64 3.26 -0.27 1.98 1.70 1.46 -1.76 118.95 125.97 1y4o s ARG 78 Ca 0.15 -0.69 -0.07 0.00 -0.47 0.00 0.00 55.73 54.66 1y4o s ARG 78 Cb -0.23 -2.86 -0.01 0.00 -0.57 0.00 0.00 34.95 31.29 1y4o s ARG 78 CO -0.06 -0.18 0.07 0.42 -1.08 0.00 0.00 175.30 174.47 1y4o s ILE 79 N 1.37 4.04 -0.30 4.99 1.01 0.83 -4.94 121.20 128.21 1y4o s ILE 79 Ca 0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 1y4o s ILE 79 Cb -0.14 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.31 1y4o s ILE 79 CO -0.06 0.20 0.17 -0.13 0.00 0.00 0.00 174.94 175.13 1y4o s ARG 80 N 1.54 3.64 0.56 2.79 0.52 -1.26 0.18 118.95 126.93 1y4o s ARG 80 Ca 0.04 -0.52 0.09 0.00 -0.52 0.00 0.00 55.73 54.82 1y4o s ARG 80 Cb -0.16 -3.62 0.08 0.00 0.52 0.00 0.00 34.95 31.77 1y4o s ARG 80 CO 0.02 -0.30 0.78 -1.12 0.02 0.00 0.00 175.30 174.70 1y4o s SER 81 N 1.69 5.13 0.07 0.23 0.01 0.57 -4.96 113.70 116.45 1y4o s SER 81 Ca 0.06 -0.78 0.03 0.00 1.31 0.00 0.00 55.95 56.57 1y4o s SER 81 Cb -0.16 0.19 -0.24 0.00 0.21 0.00 0.00 66.02 66.01 1y4o s SER 81 CO 0.09 -1.30 1.10 0.11 0.41 0.00 0.00 173.24 173.64 1y4o h LYS 82 N 0.20 0.11 0.03 12.44 1.57 -2.01 -3.31 116.57 125.59 1y4o h LYS 82 Ca -0.31 -0.19 -0.25 0.00 -1.87 0.00 0.00 60.65 58.02 1y4o h LYS 82 Cb 1.29 0.07 0.02 0.00 0.08 0.00 0.00 32.23 33.69 1y4o h LYS 82 CO 0.41 1.02 -1.01 -0.22 -0.57 0.00 0.00 179.45 179.08 1y4o h LYS 83 N 0.03 0.63 -3.07 3.15 3.64 -2.00 -3.47 116.57 115.49 1y4o h LYS 83 Ca -0.11 -0.72 0.04 0.00 -1.27 0.00 0.00 60.65 58.59 1y4o h LYS 83 Cb 1.89 0.21 -0.07 0.00 -0.41 0.00 0.00 32.23 33.86 1y4o h LYS 83 CO 0.15 1.30 0.19 0.54 -2.27 0.00 0.00 179.45 179.36 1y4o s ASN 84 N -7.22 -0.29 -0.17 4.20 4.22 -1.25 -4.66 114.94 109.76 1y4o s ASN 84 Ca -0.10 -0.54 -0.02 0.00 -2.14 0.00 0.00 52.86 50.05 1y4o s ASN 84 Cb 0.06 0.69 -0.02 0.00 1.28 0.00 0.00 41.25 43.27 1y4o s ASN 84 CO 0.91 -1.27 -0.07 -0.70 -2.04 0.00 0.00 177.10 173.93 1y4o s GLU 85 N -3.90 3.45 -0.36 3.55 2.12 0.12 -0.31 118.70 123.37 1y4o s GLU 85 Ca 0.10 -0.62 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 1y4o s GLU 85 Cb -0.05 -2.85 0.09 0.00 0.26 0.00 0.00 34.13 31.58 1y4o s GLU 85 CO 0.04 0.06 0.12 0.42 -0.54 0.00 0.00 175.26 175.35 1y4o s ILE 86 N 0.80 3.06 -0.25 -3.70 1.01 0.13 0.06 121.20 122.31 1y4o s ILE 86 Ca -0.03 -1.88 -0.14 0.00 0.00 0.00 0.00 60.65 58.61 1y4o s ILE 86 Cb -0.15 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 1y4o s ILE 86 CO 0.01 -0.49 0.33 -0.32 0.00 0.00 0.00 174.94 174.47 1y4o s MET 87 N 1.15 4.05 -0.00 2.79 1.75 0.92 -0.12 119.30 129.83 1y4o s MET 87 Ca 0.04 -0.01 0.07 0.00 -1.25 0.00 0.00 55.69 54.54 1y4o s MET 87 Cb -0.21 -3.62 -0.02 0.00 2.84 0.00 0.00 34.83 33.82 1y4o s MET 87 CO -0.04 -0.17 -0.21 0.08 -0.65 0.00 0.00 175.02 174.04 1y4o s VAL 88 N 1.74 1.65 -0.05 10.11 1.01 -0.72 -0.23 120.40 133.91 1y4o s VAL 88 Ca 0.14 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1y4o s VAL 88 Cb -0.15 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1y4o s VAL 88 CO 0.09 0.40 -0.04 0.00 0.00 0.00 0.00 175.10 175.55 1y4o s ALA 89 N -0.57 0.71 -0.24 5.51 0.00 0.51 -0.00 121.76 127.67 1y4o s ALA 89 Ca 0.08 -0.09 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 1y4o s ALA 89 Cb -0.08 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1y4o s ALA 89 CO -0.00 -0.10 0.69 -1.25 0.00 0.00 0.00 175.76 175.10 1y4o s PRO 90 N 1.10 4.14 0.40 0.00 0.05 -1.25 -2.22 135.00 137.22 1y4o s PRO 90 Ca -0.08 0.68 0.07 0.00 0.05 0.00 0.00 61.00 61.72 1y4o s PRO 90 Cb -0.14 -3.64 -0.05 0.00 0.05 0.00 0.00 34.50 30.72 1y4o s PRO 90 CO -0.01 -0.43 0.18 -0.51 0.05 0.00 0.00 177.00 176.28 1y4o s ASP 91 N 1.40 4.45 -0.10 6.66 1.01 -1.23 -4.94 116.67 123.92 1y4o s ASP 91 Ca 0.29 -1.04 0.02 0.00 0.71 0.00 0.00 52.55 52.53 1y4o s ASP 91 Cb -0.15 -0.50 -0.25 0.00 1.01 0.00 0.00 42.92 43.03 1y4o s ASP 91 CO 0.08 -0.51 0.44 0.29 0.21 0.00 0.00 175.17 175.68 1y4o n LYS 92 N -1.23 0.71 0.00 8.23 5.02 -1.26 -4.37 118.16 125.26 1y4o n LYS 92 Ca -0.01 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1y4o n LYS 92 Cb 0.64 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1y4o n LYS 92 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1y4o n ASP 93 N -3.29 1.24 -4.79 4.39 5.68 -1.26 -4.76 116.55 113.77 1y4o n ASP 93 Ca -0.27 -1.30 -0.33 0.00 -0.50 0.00 0.00 54.79 52.38 1y4o n ASP 93 Cb 1.05 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.96 1y4o n ASP 93 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1y4o s TYR 94 N -0.30 1.75 -0.29 2.11 1.51 -1.26 -3.16 117.35 117.71 1y4o s TYR 94 Ca 0.00 -0.99 0.03 0.00 -1.01 0.00 0.00 57.07 55.10 1y4o s TYR 94 Cb 0.00 -1.60 0.19 0.00 -0.11 0.00 0.00 41.96 40.44 1y4o s TYR 94 CO 0.00 0.16 0.58 0.12 -1.11 0.00 0.00 175.55 175.30 1y4o s PHE 95 N -2.90 -1.69 -0.38 2.71 2.19 0.36 -3.55 117.98 114.73 1y4o s PHE 95 Ca 0.03 1.27 -0.22 0.00 0.33 0.00 0.00 56.93 58.34 1y4o s PHE 95 Cb 0.00 0.37 0.01 0.00 -1.31 0.00 0.00 43.02 42.10 1y4o s PHE 95 CO 0.02 -0.99 0.72 -0.51 1.83 0.00 0.00 175.22 176.29 1y4o s LEU 96 N 2.82 4.21 -0.19 6.12 1.43 -0.94 -2.40 118.68 129.73 1y4o s LEU 96 Ca 0.14 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1y4o s LEU 96 Cb -0.12 -2.91 0.05 0.00 0.03 0.00 0.00 46.19 43.23 1y4o s LEU 96 CO -0.24 -0.71 -0.06 -0.63 0.23 0.00 0.00 176.35 174.94 1y4o s ILE 97 N 2.97 1.26 -0.04 -0.59 1.01 -0.28 -0.37 121.20 125.17 1y4o s ILE 97 Ca 0.28 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1y4o s ILE 97 Cb -0.14 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1y4o s ILE 97 CO 0.17 0.08 -0.18 0.68 0.00 0.00 0.00 174.94 175.69 1y4o s VAL 98 N 1.56 1.51 -0.29 2.92 -7.23 0.68 -0.28 120.40 119.27 1y4o s VAL 98 Ca -0.01 -0.77 -0.09 0.00 -1.81 0.00 0.00 61.98 59.30 1y4o s VAL 98 Cb -0.16 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1y4o s VAL 98 CO -0.08 0.43 0.12 -0.63 -0.31 0.00 0.00 175.10 174.64 1y4o s ILE 99 N -0.10 4.42 0.27 -0.62 1.01 0.49 -0.06 121.20 126.61 1y4o s ILE 99 Ca -0.01 -0.42 0.10 0.00 0.00 0.00 0.00 60.65 60.32 1y4o s ILE 99 Cb -0.11 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1y4o s ILE 99 CO 0.02 0.13 -0.06 -1.58 0.00 0.00 0.00 174.94 173.45 1y4o s GLN 100 N 1.59 2.13 0.37 2.79 0.74 0.11 0.66 119.66 128.05 1y4o s GLN 100 Ca 0.05 -1.52 -0.26 0.00 0.05 0.00 0.00 55.36 53.68 1y4o s GLN 100 Cb -0.17 -2.05 -0.09 0.00 1.10 0.00 0.00 33.01 31.80 1y4o s GLN 100 CO 0.05 0.35 1.14 -0.80 -0.55 0.00 0.00 175.29 175.48 1y4o s ASN 101 N -3.63 6.71 -0.97 6.67 0.01 0.31 0.16 114.94 124.21 1y4o s ASN 101 Ca 0.31 2.29 -0.24 0.00 -0.71 0.00 0.00 52.86 54.52 1y4o s ASN 101 Cb -0.06 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 38.98 1y4o s ASN 101 CO 0.19 -0.54 1.73 -2.16 -1.51 0.00 0.00 177.10 174.80 1y4o s PRO 102 N -2.15 3.03 -0.37 -0.60 0.05 -1.26 -4.63 135.00 129.06 1y4o s PRO 102 Ca 0.54 -0.71 -0.29 0.00 0.05 0.00 0.00 61.00 60.60 1y4o s PRO 102 Cb -0.30 -5.21 0.00 0.00 0.05 0.00 0.00 34.50 29.05 1y4o s PRO 102 CO 0.38 -2.86 1.45 0.95 0.05 0.00 0.00 177.00 176.96 1y4o s THR 103 N 7.77 3.88 -2.85 1.26 -4.23 -1.26 -5.05 115.64 115.16 1y4o s THR 103 Ca 0.59 0.92 0.25 0.00 -1.18 0.00 0.00 61.69 62.28 1y4o s THR 103 Cb -0.03 -4.11 0.30 0.00 1.34 0.00 0.00 72.50 70.00 1y4o s THR 103 CO -0.04 -0.65 1.41 -0.62 -0.54 0.00 0.00 174.62 174.18