#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4h s TYR 2 N 0.00 3.45 -0.14 2.03 1.51 -1.26 -5.00 117.35 117.95 1y4h s TYR 2 Ca 0.00 0.70 -0.13 0.00 -1.01 0.00 0.00 57.07 56.63 1y4h s TYR 2 Cb 0.00 -2.41 -0.05 0.00 -0.11 0.00 0.00 41.96 39.39 1y4h s TYR 2 CO 0.00 -0.42 0.28 -1.14 -1.11 0.00 0.00 175.55 173.16 1y4h s GLN 3 N -4.78 4.11 -0.22 -0.62 0.74 -0.67 -4.97 119.66 113.24 1y4h s GLN 3 Ca 0.49 0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.98 1y4h s GLN 3 Cb -0.10 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.66 1y4h s GLN 3 CO 0.44 0.37 -0.10 -1.17 -0.55 0.00 0.00 175.29 174.28 1y4h s LEU 4 N 0.07 2.84 -0.22 3.68 2.96 -1.26 -0.53 118.68 126.22 1y4h s LEU 4 Ca 0.17 -0.72 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1y4h s LEU 4 Cb -0.13 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 1y4h s LEU 4 CO 0.05 -0.07 0.09 -1.58 -1.32 0.00 0.00 176.35 173.52 1y4h s GLN 5 N 1.34 3.88 -0.15 1.98 0.74 0.07 -5.00 119.66 122.53 1y4h s GLN 5 Ca 0.02 -0.37 -0.19 0.00 0.05 0.00 0.00 55.36 54.87 1y4h s GLN 5 Cb -0.15 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.58 1y4h s GLN 5 CO -0.07 0.05 0.51 -0.06 -0.55 0.00 0.00 175.29 175.17 1y4h s PHE 6 N 1.02 3.46 -0.27 1.67 0.08 -1.26 -1.16 117.98 121.51 1y4h s PHE 6 Ca 0.05 0.87 0.02 0.00 0.12 0.00 0.00 56.93 57.99 1y4h s PHE 6 Cb -0.14 -2.62 0.07 0.00 -0.57 0.00 0.00 43.02 39.77 1y4h s PHE 6 CO 0.03 0.06 -0.04 0.42 -0.10 0.00 0.00 175.22 175.59 1y4h s ILE 7 N 1.04 1.92 -0.58 0.64 1.01 -0.24 -4.85 121.20 120.13 1y4h s ILE 7 Ca 0.26 -1.66 -0.14 0.00 0.00 0.00 0.00 60.65 59.11 1y4h s ILE 7 Cb -0.15 -2.19 0.14 0.00 0.01 0.00 0.00 42.46 40.28 1y4h s ILE 7 CO 0.10 -0.22 0.51 0.20 0.00 0.00 0.00 174.94 175.53 1y4h s ASN 8 N 1.18 6.15 0.00 3.58 0.01 -0.27 -1.65 114.94 123.94 1y4h s ASN 8 Ca -0.02 -2.00 -0.30 0.00 -0.71 0.00 0.00 52.86 49.82 1y4h s ASN 8 Cb -0.19 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 1y4h s ASN 8 CO -0.07 -0.76 1.39 -0.76 -1.51 0.00 0.00 177.10 175.38 1y4h s LEU 9 N 1.25 4.32 -0.20 0.60 1.43 0.34 -0.87 118.68 125.56 1y4h s LEU 9 Ca 0.07 2.10 -0.02 0.00 -1.03 0.00 0.00 54.13 55.25 1y4h s LEU 9 Cb -0.26 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1y4h s LEU 9 CO -0.00 -0.71 -0.11 0.68 0.23 0.00 0.00 176.35 176.44 1y4h s VAL 10 N 2.33 2.82 0.01 -1.59 -7.23 -0.26 -0.42 120.40 116.05 1y4h s VAL 10 Ca 0.63 -0.69 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 1y4h s VAL 10 Cb -0.31 -2.24 0.07 0.00 0.56 0.00 0.00 36.38 34.46 1y4h s VAL 10 CO 0.26 0.48 0.68 -0.72 -0.31 0.00 0.00 175.10 175.50 1y4h s TYR 11 N 1.29 -0.59 -0.57 2.82 1.13 -1.26 -4.18 117.35 115.98 1y4h s TYR 11 Ca 0.04 0.83 -0.21 0.00 -1.41 0.00 0.00 57.07 56.32 1y4h s TYR 11 Cb -0.14 0.46 0.07 0.00 -1.10 0.00 0.00 41.96 41.25 1y4h s TYR 11 CO -0.06 -0.66 0.79 0.34 -2.51 0.00 0.00 175.55 173.45 1y4h s ASP 12 N -1.69 6.22 0.47 -0.18 -1.08 -1.26 -4.93 116.67 114.22 1y4h s ASP 12 Ca -0.06 -0.95 0.21 0.00 -0.52 0.00 0.00 52.55 51.23 1y4h s ASP 12 Cb -0.00 -2.35 1.22 0.00 -1.46 0.00 0.00 42.92 40.32 1y4h s ASP 12 CO 0.02 -1.15 1.92 0.71 0.52 0.00 0.00 175.17 177.19 1y4h h THR 13 N 5.94 0.71 0.00 1.71 1.35 -1.99 -0.64 112.91 119.99 1y4h h THR 13 Ca -0.28 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1y4h h THR 13 Cb 1.08 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1y4h h THR 13 CO 1.08 0.04 0.00 0.35 -0.25 0.00 0.00 175.52 176.74 1y4h n THR 14 N -4.42 0.00 0.23 6.82 -2.24 -1.26 -2.49 114.28 110.92 1y4h n THR 14 Ca 0.15 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.98 1y4h n THR 14 Cb 0.66 -0.59 0.08 0.00 -2.10 0.00 0.00 70.33 68.38 1y4h n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1y4h n LYS 15 N -0.91 1.32 -4.39 -0.78 5.02 -0.25 -5.00 118.16 113.18 1y4h n LYS 15 Ca 0.13 -1.45 -0.32 0.00 -2.02 0.00 0.00 58.31 54.65 1y4h n LYS 15 Cb 0.06 -1.22 -0.10 0.00 -0.02 0.00 0.00 35.03 33.75 1y4h n LYS 15 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1y4h s LEU 16 N -0.93 3.29 0.86 -0.35 1.43 -1.04 -5.09 118.68 116.86 1y4h s LEU 16 Ca 0.16 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1y4h s LEU 16 Cb 0.10 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.54 1y4h s LEU 16 CO 0.14 0.28 1.09 0.42 0.23 0.00 0.00 176.35 178.51 1y4h s THR 17 N -1.04 2.82 0.25 5.49 -4.23 -1.26 -4.83 115.64 112.84 1y4h s THR 17 Ca 0.18 0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.92 1y4h s THR 17 Cb -0.11 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 71.17 1y4h s THR 17 CO 0.09 -0.35 1.71 -0.74 -0.54 0.00 0.00 174.62 174.79 1y4h h HIS 18 N -1.42 0.45 -0.37 3.99 2.76 -1.99 -2.14 115.15 116.42 1y4h h HIS 18 Ca -0.48 0.04 -0.13 0.00 -2.20 0.00 0.00 60.37 57.60 1y4h h HIS 18 Cb 1.27 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.14 1y4h h HIS 18 CO 0.45 -0.00 -0.27 1.25 -1.30 0.00 0.00 177.93 178.06 1y4h h LEU 19 N 0.38 0.80 -0.70 0.26 5.85 -1.99 -1.23 115.31 118.68 1y4h h LEU 19 Ca 0.43 -0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1y4h h LEU 19 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1y4h h LEU 19 CO -0.46 1.03 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.21 1y4h h GLU 20 N 0.67 0.87 -0.36 1.25 5.08 -1.82 -0.78 114.58 119.48 1y4h h GLU 20 Ca 0.08 -0.31 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 1y4h h GLU 20 Cb 0.80 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1y4h h GLU 20 CO 0.07 0.95 -0.22 1.96 -1.00 0.00 0.00 179.01 180.77 1y4h h GLN 21 N 0.77 0.79 -0.14 2.33 4.20 -1.26 -1.85 115.11 119.95 1y4h h GLN 21 Ca 0.12 -0.36 0.04 0.00 0.06 0.00 0.00 58.65 58.51 1y4h h GLN 21 Cb 0.65 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1y4h h GLN 21 CO 0.05 0.99 -0.08 1.15 -0.67 0.00 0.00 178.83 180.26 1y4h h THR 22 N 0.58 0.74 -0.51 -0.54 2.02 -1.00 -1.86 112.91 112.33 1y4h h THR 22 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1y4h h THR 22 Cb 0.77 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 1y4h h THR 22 CO 0.06 0.00 0.26 0.78 0.37 0.00 0.00 175.52 176.99 1y4h h ASN 23 N -0.08 0.65 -0.75 4.18 2.35 -1.06 -2.60 115.58 118.25 1y4h h ASN 23 Ca 0.08 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1y4h h ASN 23 Cb 0.20 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.37 1y4h h ASN 23 CO -0.19 0.57 0.43 0.40 -1.65 0.00 0.00 177.43 176.99 1y4h h ILE 24 N 0.67 1.22 0.00 2.81 2.04 -1.28 -2.49 117.51 120.48 1y4h h ILE 24 Ca 0.18 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1y4h h ILE 24 Cb 0.08 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1y4h h ILE 24 CO -0.03 0.24 -0.01 0.78 0.00 0.00 0.00 178.15 179.14 1y4h h ASN 25 N 1.04 0.00 0.26 1.72 2.35 -1.10 -0.89 115.58 118.96 1y4h h ASN 25 Ca 0.27 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 1y4h h ASN 25 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 1y4h h ASN 25 CO -0.05 0.01 -0.06 -0.07 -1.65 0.00 0.00 177.43 175.61 1y4h h LEU 26 N 0.00 0.00 0.00 1.61 3.38 -1.06 -3.10 115.31 116.13 1y4h h LEU 26 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y4h h LEU 26 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1y4h h LEU 26 CO 0.00 0.06 -0.98 0.49 0.09 0.00 0.00 178.44 178.10 1y4h n PHE 27 N -3.55 0.21 -1.78 1.13 3.72 -0.34 -4.92 117.46 111.93 1y4h n PHE 27 Ca -0.02 0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1y4h n PHE 27 Cb 0.17 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.31 1y4h n PHE 27 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1y4h s ILE 28 N -3.16 3.04 -5.00 4.37 -1.09 -1.18 -4.72 121.20 113.46 1y4h s ILE 28 Ca 0.05 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1y4h s ILE 28 Cb 0.15 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 1y4h s ILE 28 CO 0.80 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.10 1y4h n GLY 29 N 4.33 -0.32 3.35 6.18 0.00 -0.17 -5.00 105.19 113.55 1y4h n GLY 29 Ca 0.18 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 1y4h n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y4h s ASN 30 N -4.00 3.62 0.01 1.61 0.01 -1.26 -0.79 114.94 114.13 1y4h s ASN 30 Ca 0.00 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 1y4h s ASN 30 Cb 0.00 -1.16 -0.01 0.00 0.41 0.00 0.00 41.25 40.49 1y4h s ASN 30 CO 0.00 0.23 -0.02 0.26 -1.51 0.00 0.00 177.10 176.06 1y4h s TRP 31 N -0.08 0.18 0.02 2.20 0.52 -0.46 0.18 118.94 121.51 1y4h s TRP 31 Ca -0.04 -0.25 0.02 0.00 0.02 0.00 0.00 56.10 55.85 1y4h s TRP 31 Cb -0.14 -0.12 -0.02 0.00 -1.15 0.00 0.00 33.47 32.04 1y4h s TRP 31 CO 0.04 -0.08 -0.06 -1.12 0.02 0.00 0.00 176.95 175.75 1y4h s SER 32 N -0.68 0.65 -0.24 2.95 0.01 -0.03 -0.49 113.70 115.87 1y4h s SER 32 Ca -0.07 -0.35 -0.00 0.00 1.31 0.00 0.00 55.95 56.83 1y4h s SER 32 Cb -0.05 0.01 0.03 0.00 0.21 0.00 0.00 66.02 66.22 1y4h s SER 32 CO -0.00 -0.11 -0.09 0.21 0.41 0.00 0.00 173.24 173.65 1y4h s ASN 33 N -0.97 4.15 0.13 2.44 3.84 0.54 -0.76 114.94 124.31 1y4h s ASN 33 Ca -0.06 -0.94 -0.16 0.00 0.21 0.00 0.00 52.86 51.91 1y4h s ASN 33 Cb -0.07 -1.61 -0.01 0.00 -0.55 0.00 0.00 41.25 39.01 1y4h s ASN 33 CO 0.00 -0.12 1.65 0.45 -2.79 0.00 0.00 177.10 176.29 1y4h h HIS 34 N 7.96 0.62 -0.26 0.43 3.86 -1.90 -0.42 115.15 125.43 1y4h h HIS 34 Ca -0.32 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 58.83 1y4h h HIS 34 Cb 1.10 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 1y4h h HIS 34 CO 0.57 0.57 0.15 1.96 0.86 0.00 0.00 177.93 182.04 1y4h h GLN 35 N 0.48 0.35 0.00 2.45 7.50 -1.96 -2.71 115.11 121.22 1y4h h GLN 35 Ca 0.13 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.24 1y4h h GLN 35 Cb 0.24 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.70 1y4h h GLN 35 CO -0.01 0.29 0.00 -0.07 -1.50 0.00 0.00 178.83 177.55 1y4h h LEU 36 N 0.31 0.00 -1.73 1.46 3.38 -1.99 -3.47 115.31 113.27 1y4h h LEU 36 Ca 0.09 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.65 1y4h h LEU 36 Cb 0.04 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.85 1y4h h LEU 36 CO -0.02 0.00 -0.82 0.00 0.09 0.00 0.00 178.44 177.69 1y4h n GLN 37 N -2.54 -5.15 -4.48 1.13 6.02 -0.19 -4.89 117.38 107.28 1y4h n GLN 37 Ca 0.05 0.65 -0.21 0.00 -0.01 0.00 0.00 57.00 57.47 1y4h n GLN 37 Cb 0.45 -5.27 -0.14 0.00 1.02 0.00 0.00 30.24 26.30 1y4h n GLN 37 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1y4h s LYS 38 N -5.94 1.05 0.08 -1.09 2.20 -1.05 -1.67 119.74 113.32 1y4h s LYS 38 Ca 0.03 -0.69 0.05 0.00 -0.36 0.00 0.00 55.97 55.01 1y4h s LYS 38 Cb -0.02 -1.05 -0.03 0.00 -1.51 0.00 0.00 37.83 35.22 1y4h s LYS 38 CO 0.80 0.27 -0.13 0.45 -0.36 0.00 0.00 175.35 176.38 1y4h s SER 39 N -0.86 1.69 -0.03 1.43 0.15 0.31 -0.34 113.70 116.05 1y4h s SER 39 Ca 0.03 -0.68 0.04 0.00 0.70 0.00 0.00 55.95 56.04 1y4h s SER 39 Cb -0.07 -0.04 -0.00 0.00 -1.71 0.00 0.00 66.02 64.19 1y4h s SER 39 CO 0.01 -0.12 -0.15 0.27 1.20 0.00 0.00 173.24 174.44 1y4h s ILE 40 N -1.62 1.27 -0.31 6.45 -4.36 0.36 -0.75 121.20 122.24 1y4h s ILE 40 Ca 0.01 -0.64 -0.03 0.00 -0.26 0.00 0.00 60.65 59.73 1y4h s ILE 40 Cb -0.08 -1.09 0.05 0.00 1.25 0.00 0.00 42.46 42.58 1y4h s ILE 40 CO 0.02 0.37 0.02 0.00 0.24 0.00 0.00 174.94 175.59 1y4h s ILE 42 N 1.29 4.76 0.11 0.00 1.01 0.03 -1.08 121.20 127.32 1y4h s ILE 42 Ca -0.04 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.59 1y4h s ILE 42 Cb -0.20 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1y4h s ILE 42 CO -0.00 0.39 -0.05 -0.13 0.00 0.00 0.00 174.94 175.15 1y4h s ARG 43 N 0.94 0.87 -0.43 2.79 1.81 -0.66 -1.00 118.95 123.27 1y4h s ARG 43 Ca 0.05 -1.36 -0.28 0.00 -1.72 0.00 0.00 55.73 52.42 1y4h s ARG 43 Cb -0.14 -0.16 0.02 0.00 -0.45 0.00 0.00 34.95 34.23 1y4h s ARG 43 CO 0.03 -0.06 1.04 -1.58 -0.68 0.00 0.00 175.30 174.05 1y4h s HIS 44 N -3.68 2.94 0.00 -0.53 5.65 -1.26 -0.50 115.29 117.91 1y4h s HIS 44 Ca 0.14 0.71 0.00 0.00 0.25 0.00 0.00 55.06 56.16 1y4h s HIS 44 Cb 0.06 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.39 1y4h s HIS 44 CO -0.03 -1.07 0.00 0.41 -0.65 0.00 0.00 174.74 173.39 1y4h n GLY 45 N 4.64 2.10 0.00 1.59 0.00 0.43 -4.88 105.19 109.08 1y4h n GLY 45 Ca 0.10 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1y4h n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y4h n ASP 46 N -1.03 0.00 0.17 1.61 5.68 -1.26 -4.59 116.55 117.13 1y4h n ASP 46 Ca 0.00 -0.73 0.13 0.00 -0.50 0.00 0.00 54.79 53.69 1y4h n ASP 46 Cb 0.00 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 40.59 1y4h n ASP 46 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1y4h h ASP 47 N 0.00 0.00 -0.09 -1.12 3.32 -2.00 -1.88 116.42 114.65 1y4h h ASP 47 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1y4h h ASP 47 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1y4h h ASP 47 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 1y4h n THR 48 N -2.38 0.09 -2.63 0.35 -2.24 -1.26 -4.97 114.28 101.24 1y4h n THR 48 Ca -0.00 -0.47 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 1y4h n THR 48 Cb 0.13 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1y4h n THR 48 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y4h s SER 49 N -1.89 6.78 0.80 3.42 0.01 -0.71 -5.09 113.70 117.02 1y4h s SER 49 Ca 0.32 1.62 -0.11 0.00 1.31 0.00 0.00 55.95 59.09 1y4h s SER 49 Cb 0.20 -2.52 0.09 0.00 0.21 0.00 0.00 66.02 64.01 1y4h s SER 49 CO 0.31 -0.46 1.15 -1.00 0.41 0.00 0.00 173.24 173.65 1y4h s HIS 50 N -2.39 2.73 -1.40 2.43 3.76 -1.26 -4.51 115.29 114.66 1y4h s HIS 50 Ca 0.60 0.59 -0.05 0.00 -0.15 0.00 0.00 55.06 56.06 1y4h s HIS 50 Cb -0.09 -3.50 0.03 0.00 1.11 0.00 0.00 32.58 30.13 1y4h s HIS 50 CO 0.22 -1.80 0.77 0.09 -0.85 0.00 0.00 174.74 173.17 1y4h n ASN 51 N -3.27 -2.33 -4.75 1.40 3.02 -1.26 -4.62 115.26 103.44 1y4h n ASN 51 Ca 0.09 -0.82 -0.40 0.00 -0.03 0.00 0.00 54.58 53.41 1y4h n ASN 51 Cb 0.61 -3.90 -0.05 0.00 -0.61 0.00 0.00 39.78 35.83 1y4h n ASN 51 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1y4h s GLN 52 N -6.26 4.70 0.01 3.52 -0.21 -1.26 -1.12 119.66 119.04 1y4h s GLN 52 Ca 0.23 1.67 0.05 0.00 0.02 0.00 0.00 55.36 57.33 1y4h s GLN 52 Cb -0.12 -3.25 -0.02 0.00 1.00 0.00 0.00 33.01 30.63 1y4h s GLN 52 CO 0.83 0.26 -0.15 0.71 -2.12 0.00 0.00 175.29 174.82 1y4h s TYR 53 N -0.84 1.31 -0.11 0.91 1.51 -0.05 -3.74 117.35 116.34 1y4h s TYR 53 Ca 0.45 -0.28 -0.09 0.00 -1.01 0.00 0.00 57.07 56.14 1y4h s TYR 53 Cb -0.29 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1y4h s TYR 53 CO 0.36 0.00 0.19 -1.58 -1.11 0.00 0.00 175.55 173.42 1y4h s HIS 54 N -0.51 3.60 -0.18 2.71 5.65 0.61 -1.10 115.29 126.07 1y4h s HIS 54 Ca 0.05 0.60 -0.24 0.00 0.25 0.00 0.00 55.06 55.71 1y4h s HIS 54 Cb -0.06 -2.04 -0.02 0.00 -1.18 0.00 0.00 32.58 29.28 1y4h s HIS 54 CO 0.00 0.67 0.80 0.42 -0.65 0.00 0.00 174.74 175.98 1y4h s ILE 55 N -0.87 4.90 -0.07 0.89 -1.09 -1.26 -1.54 121.20 122.16 1y4h s ILE 55 Ca 0.16 1.55 -0.12 0.00 -2.23 0.00 0.00 60.65 60.02 1y4h s ILE 55 Cb -0.13 -4.10 -0.29 0.00 -1.58 0.00 0.00 42.46 36.36 1y4h s ILE 55 CO 0.05 0.03 0.59 -0.07 -1.23 0.00 0.00 174.94 174.32 1y4h h LEU 56 N 8.35 0.52 -7.12 2.97 3.38 -0.45 -3.48 115.31 119.49 1y4h h LEU 56 Ca -0.29 -0.92 -0.07 0.00 0.09 0.00 0.00 57.88 56.69 1y4h h LEU 56 Cb 1.13 -0.17 -0.21 0.00 0.09 0.00 0.00 40.66 41.50 1y4h h LEU 56 CO 0.83 1.75 0.04 0.12 0.09 0.00 0.00 178.44 181.27 1y4h s PHE 57 N -2.54 -0.61 -0.21 1.13 5.36 -0.99 -4.99 117.98 115.13 1y4h s PHE 57 Ca -0.18 1.30 0.02 0.00 -0.96 0.00 0.00 56.93 57.10 1y4h s PHE 57 Cb 0.05 0.28 0.03 0.00 -0.34 0.00 0.00 43.02 43.05 1y4h s PHE 57 CO 0.82 -0.44 -0.16 0.42 -1.46 0.00 0.00 175.22 174.40 1y4h s ILE 58 N -0.42 2.13 -0.68 3.12 1.01 -1.26 -1.00 121.20 124.09 1y4h s ILE 58 Ca -0.06 -1.20 -0.15 0.00 0.00 0.00 0.00 60.65 59.24 1y4h s ILE 58 Cb -0.03 -2.04 0.17 0.00 0.01 0.00 0.00 42.46 40.57 1y4h s ILE 58 CO 0.05 0.32 0.64 -0.62 0.00 0.00 0.00 174.94 175.33 1y4h s ASP 59 N 1.22 6.46 0.32 3.58 -1.08 0.83 -4.90 116.67 123.10 1y4h s ASP 59 Ca -0.00 -2.19 0.16 0.00 -0.52 0.00 0.00 52.55 50.00 1y4h s ASP 59 Cb -0.16 -2.22 0.45 0.00 -1.46 0.00 0.00 42.92 39.53 1y4h s ASP 59 CO -0.10 -0.74 1.62 0.71 0.52 0.00 0.00 175.17 177.18 1y4h h THR 60 N 5.38 1.00 0.00 1.71 1.35 -1.93 0.91 112.91 121.34 1y4h h THR 60 Ca -0.10 -1.88 -0.09 0.00 -0.55 0.00 0.00 66.41 63.78 1y4h h THR 60 Cb 1.07 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 69.61 1y4h h THR 60 CO 0.91 0.47 -0.44 0.00 -0.25 0.00 0.00 175.52 176.21 1y4h h ALA 61 N 1.52 1.26 0.00 6.62 0.00 -1.96 -3.31 119.26 123.40 1y4h h ALA 61 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1y4h h ALA 61 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1y4h h ALA 61 CO 0.06 0.55 0.00 0.72 0.00 0.00 0.00 179.25 180.58 1y4h n HIS 62 N -4.00 0.00 -3.55 0.00 8.25 -1.06 -5.03 115.22 109.84 1y4h n HIS 62 Ca -0.02 -0.29 -0.25 0.00 -0.26 0.00 0.00 57.72 56.91 1y4h n HIS 62 Cb 0.46 -0.03 0.04 0.00 1.12 0.00 0.00 29.99 31.59 1y4h n HIS 62 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1y4h n GLN 63 N -0.29 -1.42 -3.84 -0.41 6.02 0.28 -4.66 117.38 113.07 1y4h n GLN 63 Ca 0.00 0.67 -0.13 0.00 -0.01 0.00 0.00 57.00 57.53 1y4h n GLN 63 Cb 0.20 -4.45 -0.14 0.00 1.02 0.00 0.00 30.24 26.87 1y4h n GLN 63 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1y4h s ARG 64 N -5.29 0.04 0.09 -1.09 3.52 -0.99 -0.85 118.95 114.38 1y4h s ARG 64 Ca 0.38 0.10 0.07 0.00 -0.13 0.00 0.00 55.73 56.15 1y4h s ARG 64 Cb -0.12 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.21 1y4h s ARG 64 CO 0.83 -0.04 -0.19 0.96 -0.81 0.00 0.00 175.30 176.05 1y4h s ILE 65 N 0.25 1.55 -0.02 4.11 -4.36 -0.11 -0.12 121.20 122.51 1y4h s ILE 65 Ca -0.02 -1.49 0.05 0.00 -0.26 0.00 0.00 60.65 58.93 1y4h s ILE 65 Cb -0.03 -1.43 -0.01 0.00 1.25 0.00 0.00 42.46 42.24 1y4h s ILE 65 CO -0.01 -0.11 -0.17 -0.54 0.24 0.00 0.00 174.94 174.35 1y4h s LYS 66 N -1.88 1.43 0.19 0.37 1.02 -0.17 -0.59 119.74 120.12 1y4h s LYS 66 Ca 0.04 -0.59 -0.20 0.00 0.02 0.00 0.00 55.97 55.25 1y4h s LYS 66 Cb -0.10 -1.35 0.04 0.00 -0.52 0.00 0.00 37.83 35.90 1y4h s LYS 66 CO 0.04 0.33 0.57 -0.59 -0.92 0.00 0.00 175.35 174.77 1y4h s PHE 67 N -0.28 -0.27 0.16 3.18 -0.71 -0.65 0.35 117.98 119.77 1y4h s PHE 67 Ca 0.04 -0.05 -0.10 0.00 -1.04 0.00 0.00 56.93 55.79 1y4h s PHE 67 Cb -0.08 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.21 1y4h s PHE 67 CO -0.00 -0.93 0.30 -1.54 -1.34 0.00 0.00 175.22 171.71 1y4h s SER 68 N -2.84 0.02 -0.01 1.98 1.04 -0.59 -0.61 113.70 112.70 1y4h s SER 68 Ca 0.06 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 1y4h s SER 68 Cb -0.02 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 1y4h s SER 68 CO -0.05 -0.90 0.35 -0.55 0.98 0.00 0.00 173.24 173.06 1y4h s SER 69 N -2.96 6.68 0.25 7.02 0.15 -1.26 -0.28 113.70 123.30 1y4h s SER 69 Ca 0.16 0.81 -0.05 0.00 0.70 0.00 0.00 55.95 57.57 1y4h s SER 69 Cb 0.03 -2.19 0.29 0.00 -1.71 0.00 0.00 66.02 62.44 1y4h s SER 69 CO -0.01 0.31 1.92 -0.26 1.20 0.00 0.00 173.24 176.40 1y4h h PHE 70 N 4.53 1.25 0.32 3.44 0.04 -1.97 -2.54 116.94 122.01 1y4h h PHE 70 Ca -0.52 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.27 1y4h h PHE 70 Cb 1.22 -0.42 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1y4h h PHE 70 CO 0.71 0.76 -0.15 -0.44 -0.60 0.00 0.00 178.31 178.58 1y4h h ASP 71 N 1.32 -0.36 -2.58 2.17 5.19 -1.94 -3.36 116.42 116.86 1y4h h ASP 71 Ca 0.38 0.01 -0.80 0.00 -0.62 0.00 0.00 57.03 56.01 1y4h h ASP 71 Cb -0.09 0.09 -0.28 0.00 0.18 0.00 0.00 39.33 39.24 1y4h h ASP 71 CO -0.10 -0.23 0.83 -0.46 -3.12 0.00 0.00 179.24 176.16 1y4h n ASN 72 N -3.31 6.75 0.00 6.45 2.04 -1.25 -4.87 115.26 121.07 1y4h n ASN 72 Ca -0.05 -3.55 0.02 0.00 -0.44 0.00 0.00 54.58 50.56 1y4h n ASN 72 Cb 0.17 -1.19 0.10 0.00 -2.53 0.00 0.00 39.78 36.33 1y4h n ASN 72 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1y4h n GLU 73 N 0.64 0.01 0.10 -3.83 0.28 -0.96 -2.68 120.64 114.20 1y4h n GLU 73 Ca 0.36 0.39 0.12 0.00 -0.16 0.00 0.00 57.16 57.86 1y4h n GLU 73 Cb 0.30 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 32.13 1y4h n GLU 73 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1y4h n GLU 74 N -1.46 0.18 -4.93 3.44 0.28 -1.26 -4.79 120.64 112.09 1y4h n GLU 74 Ca 0.01 0.30 -0.30 0.00 -0.16 0.00 0.00 57.16 57.02 1y4h n GLU 74 Cb 0.05 -1.78 -0.15 0.00 1.43 0.00 0.00 31.44 31.00 1y4h n GLU 74 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1y4h s ILE 75 N -3.19 2.12 -0.13 3.84 -1.09 -1.09 -1.10 121.20 120.56 1y4h s ILE 75 Ca 0.07 -1.36 -0.04 0.00 -2.23 0.00 0.00 60.65 57.09 1y4h s ILE 75 Cb 0.11 -1.81 -0.04 0.00 -1.58 0.00 0.00 42.46 39.15 1y4h s ILE 75 CO 0.45 0.38 0.03 -0.63 -1.23 0.00 0.00 174.94 173.94 1y4h s ILE 76 N -0.79 4.53 -0.07 2.92 1.01 0.68 -4.50 121.20 124.98 1y4h s ILE 76 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 1y4h s ILE 76 Cb -0.10 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1y4h s ILE 76 CO 0.02 0.55 0.28 -0.31 0.00 0.00 0.00 174.94 175.48 1y4h s TYR 77 N -0.33 3.64 -0.11 3.97 1.51 0.22 -0.87 117.35 125.38 1y4h s TYR 77 Ca 0.08 0.75 0.01 0.00 -1.01 0.00 0.00 57.07 56.90 1y4h s TYR 77 Cb -0.12 -2.15 0.02 0.00 -0.11 0.00 0.00 41.96 39.59 1y4h s TYR 77 CO 0.02 0.62 -0.15 0.42 -1.11 0.00 0.00 175.55 175.36 1y4h s ILE 78 N -0.84 1.46 -0.12 2.71 1.09 0.34 -1.63 121.20 124.21 1y4h s ILE 78 Ca 0.19 -0.61 -0.00 0.00 -1.10 0.00 0.00 60.65 59.12 1y4h s ILE 78 Cb -0.14 -1.35 -0.02 0.00 -1.06 0.00 0.00 42.46 39.89 1y4h s ILE 78 CO 0.08 0.43 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.48 1y4h s LEU 79 N 1.06 2.80 -0.12 2.97 1.43 0.25 -1.29 118.68 125.78 1y4h s LEU 79 Ca -0.05 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1y4h s LEU 79 Cb -0.15 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1y4h s LEU 79 CO -0.03 0.19 -0.12 -1.81 0.23 0.00 0.00 176.35 174.81 1y4h s ASP 80 N 0.23 4.12 -0.01 2.29 1.11 0.61 -0.93 116.67 124.09 1y4h s ASP 80 Ca -0.08 -0.27 -0.30 0.00 0.18 0.00 0.00 52.55 52.08 1y4h s ASP 80 Cb -0.15 -1.48 -0.03 0.00 1.07 0.00 0.00 42.92 42.33 1y4h s ASP 80 CO 0.05 0.21 1.04 -0.47 1.18 0.00 0.00 175.17 177.17 1y4h s TYR 81 N 0.11 3.57 0.00 4.23 5.04 -0.03 -0.61 117.35 129.67 1y4h s TYR 81 Ca -0.05 1.58 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1y4h s TYR 81 Cb -0.15 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 38.96 1y4h s TYR 81 CO 0.04 -0.35 0.00 -3.47 -1.34 0.00 0.00 175.55 170.44 1y4h n ASP 82 N 4.17 0.00 -1.51 4.32 -0.08 -0.75 -4.96 116.55 117.74 1y4h n ASP 82 Ca 0.07 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.31 1y4h n ASP 82 Cb 0.50 -0.31 -0.01 0.00 2.34 0.00 0.00 41.12 43.64 1y4h n ASP 82 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1y4h n ASP 83 N -2.26 -0.30 0.08 1.67 5.68 -0.93 -4.97 116.55 115.52 1y4h n ASP 83 Ca 0.00 -1.49 0.20 0.00 -0.50 0.00 0.00 54.79 53.00 1y4h n ASP 83 Cb 0.00 0.58 0.75 0.00 -1.14 0.00 0.00 41.12 41.31 1y4h n ASP 83 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1y4h h THR 84 N 1.26 0.52 0.00 2.12 1.35 -2.00 -2.43 112.91 113.72 1y4h h THR 84 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1y4h h THR 84 Cb 0.30 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1y4h h THR 84 CO 0.09 0.00 -0.96 0.00 -0.25 0.00 0.00 175.52 174.40 1y4h n GLN 85 N -3.97 0.02 -3.76 4.72 1.13 -1.26 -4.80 117.38 109.47 1y4h n GLN 85 Ca 0.07 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 55.00 1y4h n GLN 85 Cb 0.55 -1.50 -0.13 0.00 0.11 0.00 0.00 30.24 29.27 1y4h n GLN 85 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1y4h s HIS 86 N -3.02 -0.21 0.21 1.08 3.76 -0.92 -0.62 115.29 115.58 1y4h s HIS 86 Ca 0.08 0.55 0.04 0.00 -0.15 0.00 0.00 55.06 55.58 1y4h s HIS 86 Cb 0.16 -0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.80 1y4h s HIS 86 CO 0.85 -0.16 -0.03 0.96 -0.85 0.00 0.00 174.74 175.51 1y4h s ILE 87 N 0.83 1.13 -0.03 0.60 -4.36 -0.53 -1.80 121.20 117.03 1y4h s ILE 87 Ca -0.06 -2.05 0.07 0.00 -0.26 0.00 0.00 60.65 58.34 1y4h s ILE 87 Cb -0.08 -2.23 -0.01 0.00 1.25 0.00 0.00 42.46 41.38 1y4h s ILE 87 CO -0.05 -0.42 -0.24 -0.76 0.24 0.00 0.00 174.94 173.72 1y4h s LEU 88 N -3.28 2.04 -0.05 0.37 1.02 0.23 -0.25 118.68 118.75 1y4h s LEU 88 Ca 0.26 -0.45 0.06 0.00 0.02 0.00 0.00 54.13 54.02 1y4h s LEU 88 Cb 0.05 -1.25 -0.01 0.00 0.02 0.00 0.00 46.19 44.99 1y4h s LEU 88 CO 0.07 0.26 -0.24 -0.32 0.02 0.00 0.00 176.35 176.14 1y4h s MET 89 N -0.36 2.48 0.07 1.70 1.75 -0.29 -0.28 119.30 124.37 1y4h s MET 89 Ca 0.03 -0.89 0.00 0.00 -1.25 0.00 0.00 55.69 53.59 1y4h s MET 89 Cb -0.11 -2.17 -0.04 0.00 2.84 0.00 0.00 34.83 35.35 1y4h s MET 89 CO 0.01 0.43 -0.05 -1.14 -0.65 0.00 0.00 175.02 173.63 1y4h s GLN 90 N -0.29 0.68 0.09 4.11 0.74 -0.41 -0.79 119.66 123.80 1y4h s GLN 90 Ca 0.00 -1.20 0.08 0.00 0.05 0.00 0.00 55.36 54.29 1y4h s GLN 90 Cb -0.13 -0.01 -0.03 0.00 1.10 0.00 0.00 33.01 33.94 1y4h s GLN 90 CO 0.02 -0.06 -0.20 0.95 -0.55 0.00 0.00 175.29 175.46 1y4h s THR 91 N -3.45 1.64 -0.05 -0.34 -4.23 -1.26 -0.51 115.64 107.44 1y4h s THR 91 Ca 0.06 -1.49 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1y4h s THR 91 Cb 0.04 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.40 1y4h s THR 91 CO -0.06 -0.06 0.12 -0.55 -0.54 0.00 0.00 174.62 173.53 1y4h s SER 92 N -1.84 -0.12 0.24 3.99 0.15 -0.05 -0.25 113.70 115.83 1y4h s SER 92 Ca 0.06 0.24 -0.30 0.00 0.70 0.00 0.00 55.95 56.65 1y4h s SER 92 Cb -0.10 0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 64.36 1y4h s SER 92 CO 0.04 -0.05 1.05 -0.44 1.20 0.00 0.00 173.24 175.05 1y4h s SER 93 N 0.11 7.37 0.19 5.45 0.01 -0.56 -0.23 113.70 126.05 1y4h s SER 93 Ca -0.00 2.14 -0.09 0.00 1.31 0.00 0.00 55.95 59.30 1y4h s SER 93 Cb -0.01 -2.62 0.08 0.00 0.21 0.00 0.00 66.02 63.68 1y4h s SER 93 CO -0.00 -0.08 1.67 0.11 0.41 0.00 0.00 173.24 175.35 1y4h h LYS 94 N 4.21 1.09 -5.17 12.44 1.57 -1.45 -3.42 116.57 125.85 1y4h h LYS 94 Ca -0.46 -0.32 -0.64 0.00 -1.87 0.00 0.00 60.65 57.37 1y4h h LYS 94 Cb 1.21 -0.12 -0.21 0.00 0.08 0.00 0.00 32.23 33.19 1y4h h LYS 94 CO 0.68 1.03 -0.64 -0.65 -0.57 0.00 0.00 179.45 179.31 1y4h s GLN 95 N -5.13 3.71 0.17 3.15 -1.52 -1.26 -4.98 119.66 113.79 1y4h s GLN 95 Ca -0.12 -0.48 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 1y4h s GLN 95 Cb 0.14 -3.11 0.00 0.00 -0.22 0.00 0.00 33.01 29.82 1y4h s GLN 95 CO 0.85 0.09 0.00 0.41 -0.25 0.00 0.00 175.29 176.39 1y4h n GLY 96 N 4.05 -2.66 3.29 3.09 0.00 -1.26 -4.89 105.19 106.81 1y4h n GLY 96 Ca -0.17 -1.91 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1y4h n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4h s ILE 97 N -0.43 3.51 0.00 -0.61 1.01 -1.26 -4.85 121.20 118.57 1y4h s ILE 97 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1y4h s ILE 97 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1y4h s ILE 97 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1y4h n GLY 98 N 4.79 1.29 3.07 6.18 0.00 -1.26 -5.03 105.19 114.24 1y4h n GLY 98 Ca -0.16 0.38 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1y4h n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y4h s THR 99 N 0.00 -0.03 0.79 2.61 2.01 -1.26 -1.49 115.64 118.26 1y4h s THR 99 Ca 0.00 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.99 1y4h s THR 99 Cb 0.00 -0.37 0.06 0.00 0.01 0.00 0.00 72.50 72.20 1y4h s THR 99 CO 0.00 0.04 1.12 -0.94 -0.69 0.00 0.00 174.62 174.15 1y4h s SER 100 N 0.95 4.65 0.21 3.53 1.04 0.65 -5.01 113.70 119.73 1y4h s SER 100 Ca -0.07 1.09 -0.30 0.00 0.48 0.00 0.00 55.95 57.16 1y4h s SER 100 Cb -0.08 -1.78 -0.08 0.00 0.10 0.00 0.00 66.02 64.18 1y4h s SER 100 CO -0.06 -1.84 1.13 -0.60 0.98 0.00 0.00 173.24 172.85 1y4h s ARG 101 N -5.32 4.57 0.52 4.02 3.52 -1.26 -4.65 118.95 120.35 1y4h s ARG 101 Ca 0.61 1.79 -0.23 0.00 -0.13 0.00 0.00 55.73 57.77 1y4h s ARG 101 Cb -0.13 -3.24 -0.06 0.00 -1.56 0.00 0.00 34.95 29.96 1y4h s ARG 101 CO 0.52 0.06 1.38 -2.14 -0.81 0.00 0.00 175.30 174.32 1y4h s PRO 102 N -0.62 3.30 -0.11 5.12 0.02 -1.26 -4.77 135.00 136.68 1y4h s PRO 102 Ca 0.49 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.83 1y4h s PRO 102 Cb -0.31 -2.38 -0.01 0.00 0.02 0.00 0.00 34.50 31.82 1y4h s PRO 102 CO 0.37 -1.08 -0.19 0.42 -0.33 0.00 0.00 177.00 176.19 1y4h s ILE 103 N -1.27 2.54 -0.03 2.83 1.01 0.03 -4.93 121.20 121.38 1y4h s ILE 103 Ca 0.68 -0.85 -0.23 0.00 0.00 0.00 0.00 60.65 60.25 1y4h s ILE 103 Cb -0.42 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1y4h s ILE 103 CO 0.51 0.55 0.68 -0.69 0.00 0.00 0.00 174.94 175.98 1y4h s VAL 104 N 0.24 4.96 -0.05 2.92 1.01 -1.26 -1.13 120.40 127.09 1y4h s VAL 104 Ca -0.12 1.41 0.05 0.00 0.00 0.00 0.00 61.98 63.31 1y4h s VAL 104 Cb -0.16 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.18 1y4h s VAL 104 CO 0.07 0.32 -0.17 -0.31 0.00 0.00 0.00 175.10 175.00 1y4h s TYR 105 N 0.38 2.61 0.03 5.22 1.51 0.65 -4.64 117.35 123.11 1y4h s TYR 105 Ca 0.36 -0.28 0.05 0.00 -1.01 0.00 0.00 57.07 56.18 1y4h s TYR 105 Cb -0.18 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.02 1y4h s TYR 105 CO 0.18 0.09 -0.11 -1.83 -1.11 0.00 0.00 175.55 172.77 1y4h s GLU 106 N -0.61 2.33 0.24 -0.62 -1.05 0.06 -1.45 118.70 117.60 1y4h s GLU 106 Ca 0.09 -0.85 -0.31 0.00 -0.15 0.00 0.00 54.97 53.74 1y4h s GLU 106 Cb -0.11 -2.36 -0.12 0.00 -0.44 0.00 0.00 34.13 31.09 1y4h s GLU 106 CO 0.01 0.57 1.58 -2.13 0.95 0.00 0.00 175.26 176.23 1y4h n ARG 107 N 1.46 2.48 -2.55 -4.83 0.63 0.21 -0.85 116.66 113.21 1y4h n ARG 107 Ca -0.15 0.89 -0.43 0.00 -0.92 0.00 0.00 57.85 57.23 1y4h n ARG 107 Cb 0.52 -2.65 -0.02 0.00 0.45 0.00 0.00 32.46 30.76 1y4h n ARG 107 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1y4h s LEU 108 N 0.19 3.67 0.00 6.15 1.43 0.13 -4.81 118.68 125.44 1y4h s LEU 108 Ca 0.69 0.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1y4h s LEU 108 Cb -0.56 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.11 1y4h s LEU 108 CO 0.44 -1.23 0.00 1.33 0.23 0.00 0.00 176.35 177.12