#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9s s GLU 4 N 0.00 2.99 -0.16 5.55 2.12 -0.62 -4.92 118.70 123.66 3i9s s GLU 4 Ca 0.00 -0.49 -0.03 0.00 0.36 0.00 0.00 54.97 54.81 3i9s s GLU 4 Cb 0.00 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.65 3i9s s GLU 4 CO 0.00 0.61 -0.05 0.42 -0.54 0.00 0.00 175.26 175.70 3i9s s ILE 5 N -0.64 3.76 0.14 -3.70 -1.09 -1.26 -1.04 121.20 117.37 3i9s s ILE 5 Ca 0.10 -0.40 -0.18 0.00 -2.23 0.00 0.00 60.65 57.94 3i9s s ILE 5 Cb -0.12 -2.65 0.04 0.00 -1.58 0.00 0.00 42.46 38.16 3i9s s ILE 5 CO 0.02 0.49 0.47 -1.59 -1.23 0.00 0.00 174.94 173.10 3i9s s LYS 6 N 0.47 1.17 0.25 2.79 -2.85 -0.82 -4.98 119.74 115.77 3i9s s LYS 6 Ca -0.04 -0.67 -0.30 0.00 -1.00 0.00 0.00 55.97 53.96 3i9s s LYS 6 Cb -0.14 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 3i9s s LYS 6 CO 0.03 -0.48 1.06 0.50 0.10 0.00 0.00 175.35 176.56 3i9s s ARG 7 N -3.80 4.68 -0.28 1.78 3.52 -1.26 -1.20 118.95 122.39 3i9s s ARG 7 Ca 0.03 1.71 -0.18 0.00 -0.13 0.00 0.00 55.73 57.17 3i9s s ARG 7 Cb 0.01 -3.23 -0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3i9s s ARG 7 CO -0.11 0.26 0.52 0.08 -0.81 0.00 0.00 175.30 175.24 3i9s s VAL 8 N -0.99 5.06 0.64 7.11 1.01 -0.24 -4.91 120.40 128.07 3i9s s VAL 8 Ca 0.45 0.80 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3i9s s VAL 8 Cb -0.30 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.31 3i9s s VAL 8 CO 0.38 0.03 0.89 1.51 0.00 0.00 0.00 175.10 177.91 3i9s s ASP 9 N 1.58 4.81 0.40 3.32 1.47 -1.26 -4.57 116.67 122.42 3i9s s ASP 9 Ca 0.21 -0.20 0.07 0.00 1.18 0.00 0.00 52.55 53.81 3i9s s ASP 9 Cb -0.16 -0.43 0.82 0.00 -0.34 0.00 0.00 42.92 42.82 3i9s s ASP 9 CO 0.10 -1.51 2.03 0.07 0.68 0.00 0.00 175.17 176.54 3i9s h LYS 10 N -0.23 0.53 0.00 2.11 2.10 -1.98 0.14 116.57 119.23 3i9s h LYS 10 Ca -0.39 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3i9s h LYS 10 Cb 1.28 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3i9s h LYS 10 CO 0.46 0.39 0.00 0.72 -2.00 0.00 0.00 179.45 179.02 3i9s n HIS 11 N -4.44 0.70 -0.61 0.07 8.25 -1.26 -2.23 115.22 115.70 3i9s n HIS 11 Ca 0.03 0.31 0.04 0.00 -0.26 0.00 0.00 57.72 57.84 3i9s n HIS 11 Cb 0.09 -0.99 0.06 0.00 1.12 0.00 0.00 29.99 30.27 3i9s n HIS 11 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3i9s n HIS 12 N -2.17 0.00 0.23 4.41 8.25 0.01 -4.80 115.22 121.15 3i9s n HIS 12 Ca 0.01 -0.67 0.12 0.00 -0.26 0.00 0.00 57.72 56.91 3i9s n HIS 12 Cb 0.15 -0.09 0.72 0.00 1.12 0.00 0.00 29.99 31.89 3i9s n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i9s n LEU 14 N -4.32 0.00 0.18 0.00 4.77 -1.26 -1.99 117.00 114.38 3i9s n LEU 14 Ca -0.01 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.58 3i9s n LEU 14 Cb 0.17 -0.48 0.62 0.00 -2.33 0.00 0.00 43.42 41.40 3i9s n LEU 14 CO 0.32 -0.24 0.90 0.44 -1.33 0.00 0.00 177.39 177.48 3i9s h ASP 15 N 0.00 0.00 0.05 -1.43 3.32 -1.24 -2.82 116.42 114.29 3i9s h ASP 15 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i9s h ASP 15 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3i9s h ASP 15 CO 0.00 0.00 -0.18 0.18 -1.72 0.00 0.00 179.24 177.52 3i9s n LEU 16 N -2.43 1.86 0.09 1.55 4.77 -0.84 -4.37 117.00 117.62 3i9s n LEU 16 Ca 0.00 -0.62 -0.12 0.00 -0.03 0.00 0.00 56.01 55.24 3i9s n LEU 16 Cb 0.15 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3i9s n LEU 16 CO 0.17 0.33 0.78 0.58 -1.33 0.00 0.00 177.39 177.91 3i9s h VAL 17 N 2.64 0.68 -0.31 4.08 2.07 -1.68 -0.13 116.25 123.60 3i9s h VAL 17 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 3i9s h VAL 17 Cb 0.68 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 3i9s h VAL 17 CO 0.00 0.00 -0.41 1.23 0.02 0.00 0.00 177.57 178.41 3i9s h GLY 18 N -0.26 -0.58 2.00 2.17 0.00 -1.82 0.14 103.07 104.72 3i9s h GLY 18 Ca 0.02 0.52 -0.06 0.00 0.00 0.00 0.00 47.33 47.82 3i9s h GLY 18 CO -0.08 -0.20 -0.28 1.19 0.00 0.00 0.00 176.54 177.17 3i9s h ILE 19 N -0.37 0.88 -0.05 2.60 6.09 -1.79 -2.38 117.51 122.47 3i9s h ILE 19 Ca 0.12 -1.11 -0.25 0.00 -1.37 0.00 0.00 64.86 62.25 3i9s h ILE 19 Cb 0.59 1.66 0.02 0.00 0.47 0.00 0.00 36.82 39.56 3i9s h ILE 19 CO -0.51 0.28 -0.95 -0.26 -3.07 0.00 0.00 178.15 173.64 3i9s h PHE 20 N 0.00 1.04 -0.57 2.19 -1.00 0.27 -1.52 116.94 117.35 3i9s h PHE 20 Ca -0.00 -0.53 0.10 0.00 2.81 0.00 0.00 57.97 60.35 3i9s h PHE 20 Cb 0.64 -0.13 -0.08 0.00 3.61 0.00 0.00 35.95 39.99 3i9s h PHE 20 CO 0.00 1.36 0.16 0.82 -1.61 0.00 0.00 178.31 179.04 3i9s h ILE 21 N 0.44 0.72 -0.53 -0.55 2.04 -0.48 -0.40 117.51 118.74 3i9s h ILE 21 Ca -0.10 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3i9s h ILE 21 Cb 1.59 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 3i9s h ILE 21 CO 0.19 0.06 0.11 -0.08 0.00 0.00 0.00 178.15 178.43 3i9s h GLU 22 N 0.31 0.86 -1.00 2.37 4.81 -1.27 -1.73 114.58 118.93 3i9s h GLU 22 Ca 0.29 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3i9s h GLU 22 Cb 0.39 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.61 3i9s h GLU 22 CO -0.34 0.83 0.66 1.25 -0.73 0.00 0.00 179.01 180.67 3i9s h LEU 23 N 0.75 1.11 -0.38 1.64 6.46 -0.71 -1.43 115.31 122.76 3i9s h LEU 23 Ca 0.16 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.84 3i9s h LEU 23 Cb 0.36 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3i9s h LEU 23 CO 0.00 0.78 -0.02 -0.33 -0.62 0.00 0.00 178.44 178.25 3i9s h GLU 24 N 1.30 0.69 -0.59 1.25 4.39 -0.61 -2.28 114.58 118.73 3i9s h GLU 24 Ca 0.39 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 3i9s h GLU 24 Cb -0.05 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3i9s h GLU 24 CO -0.11 0.80 0.36 0.00 -1.16 0.00 0.00 179.01 178.90 3i9s h ARG 25 N 0.51 0.79 0.00 2.33 3.08 -1.08 0.78 114.38 120.79 3i9s h ARG 25 Ca 0.11 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3i9s h ARG 25 Cb 0.50 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3i9s h ARG 25 CO 0.02 0.56 -0.24 -0.92 -1.07 0.00 0.00 179.97 178.32 3i9s h TYR 26 N 0.79 0.00 0.00 3.04 5.03 -1.05 0.31 116.97 125.10 3i9s h TYR 26 Ca 0.21 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.39 3i9s h TYR 26 Cb -0.04 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.22 3i9s h TYR 26 CO -0.02 0.24 -1.72 0.66 -1.32 0.00 0.00 178.16 175.99 3i9s n TYR 27 N -4.03 0.00 -0.15 -3.82 4.01 -0.88 -4.69 117.16 107.61 3i9s n TYR 27 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3i9s n TYR 27 Cb 0.31 -0.47 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 3i9s n TYR 27 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3i9s n PHE 28 N -2.25 0.00 0.00 -0.72 3.72 0.25 -5.06 117.46 113.41 3i9s n PHE 28 Ca -0.13 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 3i9s n PHE 28 Cb 0.67 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3i9s n PHE 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i9s n GLY 29 N -0.30 1.70 0.14 1.37 0.00 0.10 -0.26 105.19 107.93 3i9s n GLY 29 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3i9s n GLY 29 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3i9s h ASP 30 N 0.00 0.00 0.00 1.61 3.32 -1.91 -3.09 116.42 116.35 3i9s h ASP 30 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i9s h ASP 30 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3i9s h ASP 30 CO 0.00 0.61 0.00 0.29 -1.72 0.00 0.00 179.24 178.42 3i9s n LYS 31 N -3.56 0.69 -1.74 3.56 5.02 0.64 -4.88 118.16 117.89 3i9s n LYS 31 Ca -0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 3i9s n LYS 31 Cb 0.66 -1.01 -0.02 0.00 -0.02 0.00 0.00 35.03 34.64 3i9s n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9s n ALA 32 N -0.47 2.31 -1.56 7.82 0.00 -1.17 -4.97 120.51 122.48 3i9s n ALA 32 Ca 0.00 0.38 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 3i9s n ALA 32 Cb 0.01 -2.43 0.04 0.00 0.00 0.00 0.00 19.45 17.06 3i9s n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9s s ALA 33 N -0.10 2.53 0.79 0.00 0.00 -1.26 -5.03 121.76 118.69 3i9s s ALA 33 Ca 0.64 0.54 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 3i9s s ALA 33 Cb -0.52 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.36 3i9s s ALA 33 CO 0.50 -1.17 1.14 -1.54 0.00 0.00 0.00 175.76 174.69 3i9s s SER 34 N -2.55 4.65 0.13 0.00 1.04 -1.26 -4.85 113.70 110.87 3i9s s SER 34 Ca 0.67 0.96 -0.22 0.00 0.48 0.00 0.00 55.95 57.83 3i9s s SER 34 Cb -0.20 -1.57 -0.01 0.00 0.10 0.00 0.00 66.02 64.34 3i9s s SER 34 CO 0.40 -1.83 1.66 -0.08 0.98 0.00 0.00 173.24 174.37 3i9s h GLU 35 N -1.00 -0.19 -0.42 4.02 4.81 -1.98 -0.80 114.58 119.02 3i9s h GLU 35 Ca -0.46 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 3i9s h GLU 35 Cb 1.30 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.71 3i9s h GLU 35 CO 0.64 -0.12 0.20 1.96 -0.73 0.00 0.00 179.01 180.96 3i9s h GLN 36 N -0.19 0.60 -0.53 1.92 1.08 -1.99 0.75 115.11 116.75 3i9s h GLN 36 Ca 0.10 -0.09 0.11 0.00 -1.45 0.00 0.00 58.65 57.32 3i9s h GLN 36 Cb 0.35 -0.11 -0.10 0.00 -0.05 0.00 0.00 27.48 27.57 3i9s h GLN 36 CO -0.27 0.52 -0.09 -0.44 -0.95 0.00 0.00 178.83 177.61 3i9s h ASP 37 N 0.53 -0.40 -0.53 1.46 3.32 -1.87 -0.59 116.42 118.34 3i9s h ASP 37 Ca 0.14 0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.27 3i9s h ASP 37 Cb 0.12 0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3i9s h ASP 37 CO -0.02 -0.14 0.05 -0.07 -1.72 0.00 0.00 179.24 177.34 3i9s h LEU 38 N 0.04 0.91 -0.85 1.55 3.38 -0.58 -0.09 115.31 119.67 3i9s h LEU 38 Ca 0.26 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3i9s h LEU 38 Cb 0.40 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3i9s h LEU 38 CO -0.51 0.93 0.15 0.00 0.09 0.00 0.00 178.44 179.11 3i9s h ALA 39 N 1.17 1.06 -0.26 1.53 0.00 -0.07 -1.12 119.26 121.57 3i9s h ALA 39 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3i9s h ALA 39 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3i9s h ALA 39 CO 0.02 0.62 -0.20 -0.97 0.00 0.00 0.00 179.25 178.72 3i9s h ASN 40 N 0.97 0.62 -0.36 0.00 -1.24 -0.64 -1.47 115.58 113.46 3i9s h ASN 40 Ca 0.20 -0.45 0.05 0.00 0.71 0.00 0.00 56.30 56.81 3i9s h ASN 40 Cb 0.35 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.18 3i9s h ASN 40 CO 0.00 0.94 0.09 0.22 -1.29 0.00 0.00 177.43 177.39 3i9s h TYR 41 N 0.31 0.15 0.09 0.67 3.20 -0.83 -0.94 116.97 119.61 3i9s h TYR 41 Ca 0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3i9s h TYR 41 Cb 0.74 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3i9s h TYR 41 CO 0.07 0.04 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.52 3i9s h LEU 42 N 0.22 -0.10 -1.13 2.82 3.38 -1.16 -1.45 115.31 117.88 3i9s h LEU 42 Ca 0.17 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3i9s h LEU 42 Cb 0.17 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3i9s h LEU 42 CO -0.20 0.12 0.41 0.28 0.09 0.00 0.00 178.44 179.15 3i9s h SER 43 N -0.33 0.90 -0.00 -0.43 0.02 -1.02 -1.49 113.55 111.21 3i9s h SER 43 Ca -0.01 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3i9s h SER 43 Cb 0.28 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3i9s h SER 43 CO 0.02 0.72 -0.01 1.41 -1.14 0.00 0.00 176.83 177.83 3i9s n HIS 44 N -4.37 0.00 0.08 3.45 8.25 -0.38 -4.55 115.22 117.70 3i9s n HIS 44 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3i9s n HIS 44 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3i9s n HIS 44 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i9s n GLN 45 N 0.01 0.00 -0.34 -0.41 6.02 -0.64 -4.64 117.38 117.39 3i9s n GLN 45 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.03 3i9s n GLN 45 Cb 0.04 -0.21 0.20 0.00 1.02 0.00 0.00 30.24 31.29 3i9s n GLN 45 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i9s h VAL 46 N 0.00 1.10 -3.41 5.09 2.07 -1.33 -3.01 116.25 116.76 3i9s h VAL 46 Ca 0.00 -0.39 -0.70 0.00 0.82 0.00 0.00 66.70 66.43 3i9s h VAL 46 Cb 0.00 -0.13 -0.35 0.00 -1.52 0.00 0.00 31.29 29.29 3i9s h VAL 46 CO 0.00 0.21 -0.20 -0.36 0.02 0.00 0.00 177.57 177.24 3i9s s PHE 47 N -5.98 3.71 0.15 1.57 0.40 -0.56 -4.80 117.98 112.46 3i9s s PHE 47 Ca -0.12 -2.90 -0.07 0.00 -0.60 0.00 0.00 56.93 53.24 3i9s s PHE 47 Cb 0.20 -3.22 -0.02 0.00 0.51 0.00 0.00 43.02 40.49 3i9s s PHE 47 CO 0.81 -0.77 0.21 -1.54 0.70 0.00 0.00 175.22 174.63 3i9s s SER 48 N 0.15 0.12 0.60 1.36 1.04 -1.14 -4.19 113.70 111.64 3i9s s SER 48 Ca 0.23 -0.95 0.38 0.00 0.48 0.00 0.00 55.95 56.10 3i9s s SER 48 Cb -0.12 0.39 1.78 0.00 0.10 0.00 0.00 66.02 68.17 3i9s s SER 48 CO -0.09 -0.83 2.14 -0.33 0.98 0.00 0.00 173.24 175.10 3i9s h GLU 49 N 2.65 0.00 -0.01 4.02 4.39 -1.92 -2.00 114.58 121.70 3i9s h GLU 49 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3i9s h GLU 49 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3i9s h GLU 49 CO 0.52 0.00 -0.12 -2.39 -1.16 0.00 0.00 179.01 175.86 3i9s n HIS 50 N -3.10 0.00 -2.61 4.33 1.44 -1.26 -4.90 115.22 109.13 3i9s n HIS 50 Ca -0.01 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.29 3i9s n HIS 50 Cb 0.22 -0.04 -0.04 0.00 0.12 0.00 0.00 29.99 30.25 3i9s n HIS 50 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3i9s s SER 51 N -2.20 7.34 0.00 4.39 0.15 -0.75 -4.94 113.70 117.69 3i9s s SER 51 Ca 0.31 1.92 0.27 0.00 0.70 0.00 0.00 55.95 59.14 3i9s s SER 51 Cb 0.20 -2.59 0.86 0.00 -1.71 0.00 0.00 66.02 62.78 3i9s s SER 51 CO 0.41 -0.20 1.63 0.61 1.20 0.00 0.00 173.24 176.89 3i9s n GLY 52 N 2.37 -0.74 3.79 9.45 0.00 -1.26 -4.89 105.19 113.92 3i9s n GLY 52 Ca 0.04 -0.36 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 3i9s n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i9s s VAL 53 N -2.53 4.55 0.30 1.61 -7.23 -1.26 -4.45 120.40 111.39 3i9s s VAL 53 Ca 0.24 -0.92 0.09 0.00 -1.81 0.00 0.00 61.98 59.58 3i9s s VAL 53 Cb 0.19 -3.26 -0.04 0.00 0.56 0.00 0.00 36.38 33.83 3i9s s VAL 53 CO 0.52 -0.00 0.10 -0.54 -0.31 0.00 0.00 175.10 174.87 3i9s s LYS 54 N -2.79 2.41 -0.11 4.82 1.02 -0.29 -4.93 119.74 119.87 3i9s s LYS 54 Ca 0.30 -1.44 0.01 0.00 0.02 0.00 0.00 55.97 54.86 3i9s s LYS 54 Cb -0.11 -2.22 0.02 0.00 -0.52 0.00 0.00 37.83 35.00 3i9s s LYS 54 CO 0.23 0.23 -0.13 0.08 -0.92 0.00 0.00 175.35 174.84 3i9s s VAL 55 N -2.36 1.34 0.04 3.17 1.01 -1.26 -1.85 120.40 120.50 3i9s s VAL 55 Ca 0.35 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3i9s s VAL 55 Cb -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 3i9s s VAL 55 CO 0.22 0.41 0.05 0.27 0.00 0.00 0.00 175.10 176.05 3i9s s ILE 56 N 1.13 4.42 0.05 2.22 -4.36 -0.43 -1.08 121.20 123.15 3i9s s ILE 56 Ca -0.04 -0.68 0.04 0.00 -0.26 0.00 0.00 60.65 59.71 3i9s s ILE 56 Cb -0.14 -3.07 -0.02 0.00 1.25 0.00 0.00 42.46 40.47 3i9s s ILE 56 CO -0.03 0.23 -0.12 0.00 0.24 0.00 0.00 174.94 175.26 3i9s s ALA 57 N -1.27 1.01 -0.27 2.27 0.00 -0.34 -1.59 121.76 121.56 3i9s s ALA 57 Ca 0.25 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 3i9s s ALA 57 Cb -0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.85 3i9s s ALA 57 CO 0.17 0.15 0.20 0.00 0.00 0.00 0.00 175.76 176.27 3i9s s ALA 58 N -1.06 3.55 -0.04 0.00 0.00 -0.41 -1.94 121.76 121.87 3i9s s ALA 58 Ca -0.02 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 50.98 3i9s s ALA 58 Cb -0.09 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 3i9s s ALA 58 CO 0.01 -0.48 -0.25 0.08 0.00 0.00 0.00 175.76 175.13 3i9s s VAL 59 N 1.63 1.98 -0.11 0.00 1.01 -0.21 -0.58 120.40 124.12 3i9s s VAL 59 Ca 0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 3i9s s VAL 59 Cb -0.15 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.61 3i9s s VAL 59 CO 0.10 0.55 0.09 -0.70 0.00 0.00 0.00 175.10 175.14 3i9s s GLU 60 N -0.33 0.01 -1.28 2.72 2.12 -0.58 -1.59 118.70 119.77 3i9s s GLU 60 Ca 0.02 0.18 -0.04 0.00 0.36 0.00 0.00 54.97 55.49 3i9s s GLU 60 Cb -0.12 -1.13 0.01 0.00 0.26 0.00 0.00 34.13 33.15 3i9s s GLU 60 CO 0.02 -0.50 1.07 0.72 -0.54 0.00 0.00 175.26 176.03 3i9s n HIS 61 N 5.29 -2.48 -1.18 5.30 8.25 -1.26 -2.67 115.22 126.47 3i9s n HIS 61 Ca -0.05 0.97 -0.06 0.00 -0.26 0.00 0.00 57.72 58.32 3i9s n HIS 61 Cb 0.50 -5.03 -0.03 0.00 1.12 0.00 0.00 29.99 26.54 3i9s n HIS 61 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3i9s n ASP 62 N -3.08 -5.17 -4.58 0.41 2.03 -1.26 -4.98 116.55 99.93 3i9s n ASP 62 Ca -0.16 0.15 -0.34 0.00 0.52 0.00 0.00 54.79 54.96 3i9s n ASP 62 Cb 0.62 -3.21 -0.11 0.00 -0.72 0.00 0.00 41.12 37.70 3i9s n ASP 62 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3i9s s LYS 63 N -2.23 2.90 -0.14 -0.67 -0.14 -1.09 -5.09 119.74 113.28 3i9s s LYS 63 Ca 0.00 -0.53 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 3i9s s LYS 63 Cb 0.00 -2.65 -0.01 0.00 -1.68 0.00 0.00 37.83 33.49 3i9s s LYS 63 CO 0.00 0.61 1.00 0.08 -0.76 0.00 0.00 175.35 176.28 3i9s s VAL 64 N -0.64 4.77 -0.30 3.17 1.01 -1.26 -1.53 120.40 125.61 3i9s s VAL 64 Ca 0.10 2.02 0.20 0.00 0.00 0.00 0.00 61.98 64.30 3i9s s VAL 64 Cb -0.12 -4.30 -0.29 0.00 0.00 0.00 0.00 36.38 31.67 3i9s s VAL 64 CO 0.02 -0.04 0.57 0.18 0.00 0.00 0.00 175.10 175.83 3i9s n LEU 65 N 5.33 0.28 0.00 3.92 4.77 0.26 -4.83 117.00 126.73 3i9s n LEU 65 Ca 0.09 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3i9s n LEU 65 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3i9s n LEU 65 CO 0.52 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 3i9s n GLY 66 N 1.38 0.74 3.51 -0.72 0.00 -1.23 0.36 105.19 109.22 3i9s n GLY 66 Ca -0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.11 3i9s n GLY 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3i9s s PHE 67 N -2.00 0.15 -0.01 1.61 -0.12 0.09 -1.28 117.98 116.42 3i9s s PHE 67 Ca 0.00 -0.51 -0.04 0.00 -0.05 0.00 0.00 56.93 56.32 3i9s s PHE 67 Cb 0.00 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 3i9s s PHE 67 CO 0.00 -0.90 0.09 0.00 -0.05 0.00 0.00 175.22 174.36 3i9s s ALA 68 N -3.94 -0.21 0.00 1.99 0.00 -0.62 -1.01 121.76 117.97 3i9s s ALA 68 Ca 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.13 3i9s s ALA 68 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3i9s s ALA 68 CO 0.02 -0.13 -0.15 0.95 0.00 0.00 0.00 175.76 176.45 3i9s s THR 69 N -0.77 3.00 0.07 0.00 -4.23 -0.69 -1.32 115.64 111.70 3i9s s THR 69 Ca -0.08 -0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 59.39 3i9s s THR 69 Cb -0.05 -2.23 -0.00 0.00 1.34 0.00 0.00 72.50 71.56 3i9s s THR 69 CO 0.00 0.44 0.17 -0.72 -0.54 0.00 0.00 174.62 173.98 3i9s s TYR 70 N -0.86 0.14 0.14 3.99 1.13 -0.77 -0.72 117.35 120.40 3i9s s TYR 70 Ca 0.14 -0.49 0.03 0.00 -1.41 0.00 0.00 57.07 55.33 3i9s s TYR 70 Cb -0.11 -0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.64 3i9s s TYR 70 CO 0.04 -0.48 -0.07 -0.08 -2.51 0.00 0.00 175.55 172.45 3i9s s THR 71 N -3.33 0.91 0.30 -3.49 -1.32 -0.32 -1.14 115.64 107.25 3i9s s THR 71 Ca 0.01 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.59 3i9s s THR 71 Cb 0.03 -1.85 -0.05 0.00 -1.51 0.00 0.00 72.50 69.12 3i9s s THR 71 CO -0.08 -0.73 -0.04 -0.63 -2.21 0.00 0.00 174.62 170.93 3i9s s ILE 72 N -3.49 2.93 0.00 5.08 1.01 -1.26 -0.80 121.20 124.67 3i9s s ILE 72 Ca 0.16 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.78 3i9s s ILE 72 Cb 0.04 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.80 3i9s s ILE 72 CO -0.01 -0.31 0.00 0.49 0.00 0.00 0.00 174.94 175.11 3i9s n PHE 74 N -0.87 0.00 -2.00 3.97 3.01 -1.26 -4.93 117.46 115.38 3i9s n PHE 74 Ca -0.05 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.12 3i9s n PHE 74 Cb 0.60 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.24 3i9s n PHE 74 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3i9s s PRO 75 N -2.00 0.89 0.16 -1.08 0.04 -1.26 -5.08 135.00 126.68 3i9s s PRO 75 Ca 0.00 -0.44 -0.24 0.00 0.04 0.00 0.00 61.00 60.36 3i9s s PRO 75 Cb 0.00 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.69 3i9s s PRO 75 CO 0.00 -2.22 0.85 0.00 0.04 0.00 0.00 177.00 175.67 3i9s s ALA 76 N -3.77 -1.56 0.82 8.56 0.00 -1.24 -4.86 121.76 119.71 3i9s s ALA 76 Ca 0.72 0.18 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 3i9s s ALA 76 Cb -0.05 0.69 0.09 0.00 0.00 0.00 0.00 23.12 23.85 3i9s s ALA 76 CO 0.52 -0.96 1.12 -2.14 0.00 0.00 0.00 175.76 174.30 3i9s s PRO 77 N -3.48 1.77 -1.45 0.00 0.02 -1.26 -3.67 135.00 126.93 3i9s s PRO 77 Ca 0.10 1.39 -0.11 0.00 0.02 0.00 0.00 61.00 62.39 3i9s s PRO 77 Cb -0.03 -1.83 0.05 0.00 0.02 0.00 0.00 34.50 32.72 3i9s s PRO 77 CO 0.00 -2.04 1.09 1.63 -0.33 0.00 0.00 177.00 177.35 3i9s n LYS 78 N -3.69 -6.78 -3.95 5.54 5.02 -1.26 -2.66 118.16 110.38 3i9s n LYS 78 Ca 0.11 0.72 -0.26 0.00 -2.02 0.00 0.00 58.31 56.85 3i9s n LYS 78 Cb 0.52 -5.70 -0.02 0.00 -0.02 0.00 0.00 35.03 29.82 3i9s n LYS 78 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3i9s n LEU 79 N -4.85 -2.21 -4.19 -0.35 4.77 -1.24 -4.93 117.00 103.99 3i9s n LEU 79 Ca 0.03 -1.02 -0.16 0.00 -0.03 0.00 0.00 56.01 54.83 3i9s n LEU 79 Cb 0.54 -2.21 -0.08 0.00 -2.33 0.00 0.00 43.42 39.35 3i9s n LEU 79 CO 0.70 0.44 -0.07 -0.94 -1.33 0.00 0.00 177.39 176.19 3i9s s SER 80 N -4.32 0.95 0.35 -1.43 1.04 -1.09 -5.07 113.70 104.13 3i9s s SER 80 Ca 0.03 -1.53 -0.08 0.00 0.48 0.00 0.00 55.95 54.85 3i9s s SER 80 Cb -0.01 0.53 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 3i9s s SER 80 CO 0.89 -1.06 0.66 -0.83 0.98 0.00 0.00 173.24 173.88 3i9s s GLY 81 N -3.26 1.90 0.00 7.32 0.00 -0.84 -3.62 107.32 108.83 3i9s s GLY 81 Ca 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.71 3i9s s GLY 81 CO 0.20 -0.23 0.00 -0.18 0.00 0.00 0.00 173.10 172.89 3i9s n GLN 82 N -1.12 2.23 -2.24 2.90 7.27 -1.26 -2.93 117.38 122.22 3i9s n GLN 82 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3i9s n GLN 82 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 3i9s n GLN 82 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 3i9s n TYR 84 N -0.30 0.00 0.00 3.69 4.19 0.02 -4.55 117.16 120.21 3i9s n TYR 84 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 3i9s n TYR 84 Cb 0.00 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.83 3i9s n TYR 84 CO 0.00 0.00 0.00 1.17 0.91 0.00 0.00 176.86 178.94 3i9s n LYS 86 N 0.00 0.00 -3.81 2.98 3.00 0.11 -1.18 118.16 119.25 3i9s n LYS 86 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3i9s n LYS 86 Cb 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 35.03 34.70 3i9s n LYS 86 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3i9s s ASP 87 N -2.96 -0.16 -0.11 3.14 1.01 -1.23 -4.94 116.67 111.43 3i9s s ASP 87 Ca 0.00 0.25 0.01 0.00 0.71 0.00 0.00 52.55 53.53 3i9s s ASP 87 Cb 0.00 0.37 0.02 0.00 1.01 0.00 0.00 42.92 44.31 3i9s s ASP 87 CO 0.00 -0.17 -0.14 -0.22 0.21 0.00 0.00 175.17 174.85 3i9s s LEU 88 N -0.34 1.67 -0.03 1.23 2.96 -1.26 -1.71 118.68 121.20 3i9s s LEU 88 Ca -0.04 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.46 3i9s s LEU 88 Cb -0.03 -1.06 0.03 0.00 0.50 0.00 0.00 46.19 45.63 3i9s s LEU 88 CO 0.01 0.00 0.00 0.12 -1.32 0.00 0.00 176.35 175.16 3i9s s PHE 89 N 1.06 0.33 -0.12 5.38 5.36 -0.18 -5.01 117.98 124.79 3i9s s PHE 89 Ca -0.05 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 3i9s s PHE 89 Cb -0.15 -0.42 -0.01 0.00 -0.34 0.00 0.00 43.02 42.10 3i9s s PHE 89 CO -0.02 -0.14 -0.14 0.08 -1.46 0.00 0.00 175.22 173.54 3i9s s VAL 90 N 1.05 2.99 0.28 3.12 1.01 -1.26 -0.73 120.40 126.85 3i9s s VAL 90 Ca -0.09 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 3i9s s VAL 90 Cb -0.14 -2.24 -0.11 0.00 0.00 0.00 0.00 36.38 33.89 3i9s s VAL 90 CO -0.02 0.53 1.60 -0.55 0.00 0.00 0.00 175.10 176.66 3i9s s SER 91 N 0.31 6.39 0.54 3.32 0.15 0.16 -4.87 113.70 119.70 3i9s s SER 91 Ca -0.11 2.93 0.22 0.00 0.70 0.00 0.00 55.95 59.70 3i9s s SER 91 Cb -0.16 -2.63 1.41 0.00 -1.71 0.00 0.00 66.02 62.93 3i9s s SER 91 CO 0.06 -0.91 2.08 0.77 1.20 0.00 0.00 173.24 176.44 3i9s h SER 92 N 5.01 0.00 0.00 5.45 4.64 -1.99 0.11 113.55 126.77 3i9s h SER 92 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i9s h SER 92 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3i9s h SER 92 CO 0.80 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.22 3i9s n SER 93 N -4.32 0.00 -0.10 4.97 3.41 -1.26 -2.80 113.62 113.52 3i9s n SER 93 Ca 0.03 -1.10 0.04 0.00 -0.26 0.00 0.00 58.87 57.58 3i9s n SER 93 Cb 0.33 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.34 3i9s n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i9s n ALA 94 N -0.81 1.98 -1.76 7.33 0.00 0.38 -5.07 120.51 122.56 3i9s n ALA 94 Ca 0.12 -1.58 -0.39 0.00 0.00 0.00 0.00 53.44 51.59 3i9s n ALA 94 Cb 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 19.45 19.30 3i9s n ALA 94 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3i9s s ARG 95 N -1.46 3.50 0.00 0.00 3.52 -1.12 -2.86 118.95 120.53 3i9s s ARG 95 Ca 0.13 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.97 3i9s s ARG 95 Cb 0.11 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 31.02 3i9s s ARG 95 CO 0.01 -0.90 0.00 0.41 -0.81 0.00 0.00 175.30 174.01 3i9s n GLY 96 N 0.64 0.56 0.79 8.12 0.00 -1.26 -4.90 105.19 109.14 3i9s n GLY 96 Ca 0.07 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3i9s n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i9s n LYS 97 N -2.88 1.80 -1.55 1.61 5.02 -1.14 -4.97 118.16 116.05 3i9s n LYS 97 Ca 0.00 -1.76 -0.08 0.00 -2.02 0.00 0.00 58.31 54.45 3i9s n LYS 97 Cb 0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 3i9s n LYS 97 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i9s n GLY 98 N 1.04 0.66 0.15 0.72 0.00 -1.26 -4.95 105.19 101.56 3i9s n GLY 98 Ca 0.12 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3i9s n GLY 98 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i9s h ILE 99 N 0.00 1.13 -0.51 -0.61 1.08 -1.93 -2.08 117.51 114.58 3i9s h ILE 99 Ca -0.17 -0.33 0.08 0.00 -0.39 0.00 0.00 64.86 64.05 3i9s h ILE 99 Cb 0.73 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 3i9s h ILE 99 CO 0.23 0.13 0.16 1.23 -0.69 0.00 0.00 178.15 179.21 3i9s h GLY 100 N 0.40 0.67 0.97 5.37 0.00 -1.94 -0.76 103.07 107.78 3i9s h GLY 100 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3i9s h GLY 100 CO -0.02 -0.02 0.20 -2.00 0.00 0.00 0.00 176.54 174.70 3i9s h LEU 101 N 0.32 0.45 -0.73 3.11 5.85 -1.94 -3.03 115.31 119.35 3i9s h LEU 101 Ca 0.25 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3i9s h LEU 101 Cb 0.30 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3i9s h LEU 101 CO -0.28 0.41 0.46 1.56 -0.34 0.00 0.00 178.44 180.25 3i9s h GLN 102 N 0.46 0.88 -0.46 1.25 4.20 -0.88 -1.37 115.11 119.19 3i9s h GLN 102 Ca 0.13 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3i9s h GLN 102 Cb 0.05 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3i9s h GLN 102 CO -0.02 0.58 0.00 1.28 -0.67 0.00 0.00 178.83 180.00 3i9s n LEU 103 N -4.63 0.00 0.00 1.46 4.77 -0.34 -2.25 117.00 116.01 3i9s n LEU 103 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3i9s n LEU 103 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3i9s n LEU 103 CO 0.34 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.69 3i9s n LYS 105 N 0.59 0.00 -0.20 3.23 5.02 -0.52 -1.57 118.16 124.72 3i9s n LYS 105 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 3i9s n LYS 105 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 3i9s n LYS 105 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3i9s h HIS 106 N 0.00 0.70 -0.84 2.13 2.76 -1.72 -0.61 115.15 117.58 3i9s h HIS 106 Ca 0.00 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.21 3i9s h HIS 106 Cb 0.00 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.68 3i9s h HIS 106 CO 0.00 0.44 0.54 -0.07 -1.30 0.00 0.00 177.93 177.54 3i9s h LEU 107 N 0.76 0.91 -0.91 0.26 3.38 -1.57 -1.22 115.31 116.92 3i9s h LEU 107 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3i9s h LEU 107 Cb -0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 3i9s h LEU 107 CO -0.05 0.63 0.58 0.00 0.09 0.00 0.00 178.44 179.69 3i9s h ALA 108 N 1.34 1.15 -0.47 1.53 0.00 -1.66 0.30 119.26 121.45 3i9s h ALA 108 Ca 0.33 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3i9s h ALA 108 Cb -0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 3i9s h ALA 108 CO -0.10 0.57 0.23 1.15 0.00 0.00 0.00 179.25 181.10 3i9s h THR 109 N 1.24 1.18 -0.35 0.00 2.02 -0.39 -0.85 112.91 115.76 3i9s h THR 109 Ca 0.33 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3i9s h THR 109 Cb -0.11 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3i9s h THR 109 CO -0.07 0.20 0.20 0.40 0.37 0.00 0.00 175.52 176.62 3i9s h ILE 110 N 0.62 1.04 -0.35 3.11 2.04 -0.48 -2.61 117.51 120.87 3i9s h ILE 110 Ca 0.16 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.95 3i9s h ILE 110 Cb 0.10 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.70 3i9s h ILE 110 CO -0.02 0.08 -0.09 0.00 0.00 0.00 0.00 178.15 178.11 3i9s h ALA 111 N 1.15 0.22 0.00 1.87 0.00 0.23 -2.18 119.26 120.55 3i9s h ALA 111 Ca 0.14 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3i9s h ALA 111 Cb 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3i9s h ALA 111 CO -0.06 -0.47 -0.37 -0.84 0.00 0.00 0.00 179.25 177.51 3i9s h ILE 112 N -0.01 0.83 -0.00 0.00 3.07 -1.13 0.91 117.51 121.17 3i9s h ILE 112 Ca 0.17 -1.56 0.00 0.00 1.55 0.00 0.00 64.86 65.02 3i9s h ILE 112 Cb 0.27 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.79 3i9s h ILE 112 CO -0.36 0.36 -0.08 0.35 -1.05 0.00 0.00 178.15 177.37 3i9s n THR 113 N -3.46 0.00 -1.72 0.16 -2.24 -0.99 -3.51 114.28 102.52 3i9s n THR 113 Ca 0.00 -0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.76 3i9s n THR 113 Cb 0.53 -0.08 0.18 0.00 -2.10 0.00 0.00 70.33 68.86 3i9s n THR 113 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3i9s n HIS 114 N -0.82 0.00 -3.73 4.78 8.25 -0.85 -4.99 115.22 117.86 3i9s n HIS 114 Ca 0.16 -1.32 -0.28 0.00 -0.26 0.00 0.00 57.72 56.03 3i9s n HIS 114 Cb 0.26 -0.23 0.03 0.00 1.12 0.00 0.00 29.99 31.18 3i9s n HIS 114 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i9s n ASN 115 N -0.88 -5.18 -4.65 0.41 5.15 -1.16 -4.68 115.26 104.27 3i9s n ASN 115 Ca 0.17 -0.66 -0.37 0.00 -0.60 0.00 0.00 54.58 53.12 3i9s n ASN 115 Cb 0.76 -4.13 -0.09 0.00 -0.53 0.00 0.00 39.78 35.78 3i9s n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i9s n GLN 117 N 4.48 0.07 -3.91 0.00 1.13 -1.15 -4.32 117.38 113.68 3i9s n GLN 117 Ca -0.13 -0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 54.78 3i9s n GLN 117 Cb 0.52 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.22 3i9s n GLN 117 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3i9s s ARG 118 N -2.94 0.08 -0.20 -1.09 0.52 -1.26 -5.11 118.95 108.94 3i9s s ARG 118 Ca 0.15 -0.01 0.01 0.00 -0.52 0.00 0.00 55.73 55.36 3i9s s ARG 118 Cb 0.19 -0.11 0.02 0.00 0.52 0.00 0.00 34.95 35.57 3i9s s ARG 118 CO 0.58 -0.00 -0.16 -1.17 0.02 0.00 0.00 175.30 174.57 3i9s s LEU 119 N 0.13 2.53 0.25 2.53 2.96 -1.26 -4.64 118.68 121.18 3i9s s LEU 119 Ca -0.01 -0.78 0.11 0.00 -0.22 0.00 0.00 54.13 53.24 3i9s s LEU 119 Cb -0.02 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.09 3i9s s LEU 119 CO -0.00 -0.05 -0.18 -1.81 -1.32 0.00 0.00 176.35 172.99 3i9s s ASP 120 N 1.28 3.72 0.22 3.68 1.01 -1.26 -5.00 116.67 120.32 3i9s s ASP 120 Ca 0.02 -0.90 -0.21 0.00 0.71 0.00 0.00 52.55 52.17 3i9s s ASP 120 Cb -0.15 -0.39 0.07 0.00 1.01 0.00 0.00 42.92 43.46 3i9s s ASP 120 CO -0.10 0.06 0.96 -1.66 0.21 0.00 0.00 175.17 174.64 3i9s s TRP 121 N -2.19 0.03 0.24 4.23 -2.14 -1.26 -4.16 118.94 113.69 3i9s s TRP 121 Ca 0.27 -0.46 0.10 0.00 2.66 0.00 0.00 56.10 58.67 3i9s s TRP 121 Cb -0.06 0.72 -0.05 0.00 -3.10 0.00 0.00 33.47 30.98 3i9s s TRP 121 CO 0.14 -1.04 -0.17 0.95 -2.66 0.00 0.00 176.95 174.17 3i9s s THR 122 N -2.51 2.08 0.21 0.66 -4.23 -1.26 -5.10 115.64 105.48 3i9s s THR 122 Ca 0.18 -2.29 0.04 0.00 -1.18 0.00 0.00 61.69 58.44 3i9s s THR 122 Cb -0.03 -2.15 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 3i9s s THR 122 CO 0.06 -0.50 -0.04 0.00 -0.54 0.00 0.00 174.62 173.60 3i9s s ALA 123 N -2.73 1.74 -0.13 3.99 0.00 -1.26 -5.07 121.76 118.30 3i9s s ALA 123 Ca 0.26 -1.69 -0.15 0.00 0.00 0.00 0.00 51.96 50.38 3i9s s ALA 123 Cb -0.03 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 3i9s s ALA 123 CO 0.11 -0.18 0.36 -1.21 0.00 0.00 0.00 175.76 174.84 3i9s s GLU 124 N -3.81 4.24 0.41 0.00 0.41 -1.26 -4.97 118.70 113.72 3i9s s GLU 124 Ca 0.25 0.24 0.29 0.00 -0.41 0.00 0.00 54.97 55.34 3i9s s GLU 124 Cb 0.04 -3.41 1.36 0.00 -1.78 0.00 0.00 34.13 30.35 3i9s s GLU 124 CO 0.06 0.26 1.88 0.66 -0.49 0.00 0.00 175.26 177.64 3i9s h SER 125 N 6.47 0.00 -0.19 -0.19 4.64 -2.01 0.13 113.55 122.41 3i9s h SER 125 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3i9s h SER 125 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3i9s h SER 125 CO 0.74 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.05 3i9s n THR 126 N -2.60 0.25 -3.16 2.95 -2.24 -1.26 -3.92 114.28 104.30 3i9s n THR 126 Ca 0.00 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 3i9s n THR 126 Cb 0.18 0.14 -0.04 0.00 -2.10 0.00 0.00 70.33 68.50 3i9s n THR 126 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3i9s n ASN 127 N 0.08 1.71 0.01 3.42 4.05 0.03 -4.98 115.26 119.58 3i9s n ASN 127 Ca 0.10 -3.12 0.15 0.00 0.45 0.00 0.00 54.58 52.15 3i9s n ASN 127 Cb 0.20 -0.62 0.61 0.00 1.23 0.00 0.00 39.78 41.20 3i9s n ASN 127 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3i9s h PRO 128 N 3.30 0.15 -0.21 1.20 0.11 -1.72 0.47 132.00 135.30 3i9s h PRO 128 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3i9s h PRO 128 Cb 0.83 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3i9s h PRO 128 CO 0.59 0.10 0.13 1.79 -0.21 0.00 0.00 178.00 180.39 3i9s h THR 129 N 0.15 1.06 -0.10 -1.15 1.35 -1.93 0.39 112.91 112.67 3i9s h THR 129 Ca 0.22 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.92 3i9s h THR 129 Cb 0.68 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 67.86 3i9s h THR 129 CO -0.03 0.06 -0.10 0.00 -0.25 0.00 0.00 175.52 175.20 3i9s h ALA 130 N 1.86 0.15 -0.16 6.62 0.00 -1.24 -0.99 119.26 125.50 3i9s h ALA 130 Ca 0.07 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.73 3i9s h ALA 130 Cb -0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3i9s h ALA 130 CO -0.02 -0.01 -0.09 0.78 0.00 0.00 0.00 179.25 179.92 3i9s h GLY 131 N -0.15 0.05 0.65 0.00 0.00 -1.41 -1.37 103.07 100.84 3i9s h GLY 131 Ca 0.02 0.11 0.05 0.00 0.00 0.00 0.00 47.33 47.51 3i9s h GLY 131 CO 0.02 -0.10 0.20 0.50 0.00 0.00 0.00 176.54 177.16 3i9s h LYS 132 N -0.07 0.39 -0.11 4.80 1.57 -0.91 -1.39 116.57 120.84 3i9s h LYS 132 Ca 0.09 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3i9s h LYS 132 Cb 0.21 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3i9s h LYS 132 CO -0.21 0.26 -0.04 0.35 -0.57 0.00 0.00 179.45 179.24 3i9s h PHE 133 N 0.40 -0.09 -0.34 -1.35 3.57 -0.89 -1.16 116.94 117.07 3i9s h PHE 133 Ca 0.21 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.73 3i9s h PHE 133 Cb 0.18 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 3i9s h PHE 133 CO -0.13 -0.07 0.22 1.88 -2.23 0.00 0.00 178.31 177.98 3i9s h TYR 134 N -0.02 0.41 -0.91 0.41 0.05 -0.82 -1.26 116.97 114.82 3i9s h TYR 134 Ca 0.06 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.91 3i9s h TYR 134 Cb 0.11 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 37.65 3i9s h TYR 134 CO -0.17 0.25 0.59 0.87 -1.05 0.00 0.00 178.16 178.66 3i9s h LYS 135 N 0.44 1.01 0.00 4.88 1.79 -1.18 -1.98 116.57 121.53 3i9s h LYS 135 Ca 0.13 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 3i9s h LYS 135 Cb -0.03 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.39 3i9s h LYS 135 CO -0.04 0.67 -0.07 0.66 -1.08 0.00 0.00 179.45 179.59 3i9s h SER 136 N 1.04 0.00 -0.32 0.86 4.64 -0.01 -2.22 113.55 117.54 3i9s h SER 136 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3i9s h SER 136 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3i9s h SER 136 CO -0.15 0.07 0.00 2.30 -0.87 0.00 0.00 176.83 178.18 3i9s n ILE 137 N -3.21 0.41 0.00 0.95 -5.35 -0.99 -4.94 119.36 106.24 3i9s n ILE 137 Ca 0.00 -0.62 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 3i9s n ILE 137 Cb 0.32 0.81 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 3i9s n ILE 137 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i9s n GLY 138 N 1.39 1.09 3.78 3.28 0.00 -0.83 -5.10 105.19 108.80 3i9s n GLY 138 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3i9s n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9s s ALA 139 N -2.00 3.14 -0.15 4.61 0.00 -0.78 -5.01 121.76 121.58 3i9s s ALA 139 Ca 0.00 0.62 -0.07 0.00 0.00 0.00 0.00 51.96 52.51 3i9s s ALA 139 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3i9s s ALA 139 CO 0.00 -0.04 0.10 -1.12 0.00 0.00 0.00 175.76 174.70 3i9s s SER 140 N -1.60 6.04 -0.07 0.00 0.01 -1.26 -4.39 113.70 112.43 3i9s s SER 140 Ca 0.55 0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.79 3i9s s SER 140 Cb -0.20 -1.98 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 3i9s s SER 140 CO 0.26 0.29 1.04 -0.22 0.41 0.00 0.00 173.24 175.01 3i9s s LEU 141 N -0.32 4.28 -0.71 2.44 2.96 -1.26 -5.00 118.68 121.08 3i9s s LEU 141 Ca 0.10 1.62 -0.15 0.00 -0.22 0.00 0.00 54.13 55.48 3i9s s LEU 141 Cb -0.12 -3.56 0.18 0.00 0.50 0.00 0.00 46.19 43.19 3i9s s LEU 141 CO 0.01 -0.43 0.66 -0.63 -1.32 0.00 0.00 176.35 174.65 3i9s s ILE 142 N 1.78 5.43 0.36 6.68 -1.09 -1.26 -4.93 121.20 128.18 3i9s s ILE 142 Ca 0.51 -2.04 0.10 0.00 -2.23 0.00 0.00 60.65 56.99 3i9s s ILE 142 Cb -0.20 -4.42 0.11 0.00 -1.58 0.00 0.00 42.46 36.37 3i9s s ILE 142 CO 0.21 -0.97 1.84 0.03 -1.23 0.00 0.00 174.94 174.82 3i9s h ARG 143 N 8.27 0.16 0.00 2.79 3.08 -2.07 -2.90 114.38 123.71 3i9s h ARG 143 Ca -0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3i9s h ARG 143 Cb 1.07 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3i9s h ARG 143 CO 0.88 0.42 0.00 0.39 -1.07 0.00 0.00 179.97 180.60 3i9s n GLU 144 N -4.17 0.03 -2.54 0.04 1.02 -1.26 -4.77 120.64 108.99 3i9s n GLU 144 Ca -0.01 0.26 -0.42 0.00 -0.02 0.00 0.00 57.16 56.96 3i9s n GLU 144 Cb 0.36 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 3i9s n GLU 144 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3i9s s LYS 145 N -3.04 4.39 -0.16 3.49 2.47 -1.10 -5.03 119.74 120.75 3i9s s LYS 145 Ca 0.07 1.58 -0.03 0.00 -1.56 0.00 0.00 55.97 56.02 3i9s s LYS 145 Cb 0.10 -3.54 -0.02 0.00 -1.46 0.00 0.00 37.83 32.91 3i9s s LYS 145 CO 0.30 -0.38 -0.04 -1.21 0.16 0.00 0.00 175.35 174.18 3i9s s GLU 146 N 2.03 3.62 -0.26 4.03 2.02 -1.26 -5.08 118.70 123.80 3i9s s GLU 146 Ca 0.53 -0.54 -0.14 0.00 0.02 0.00 0.00 54.97 54.84 3i9s s GLU 146 Cb -0.23 -2.91 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 3i9s s GLU 146 CO 0.21 0.19 0.32 -0.47 0.02 0.00 0.00 175.26 175.53 3i9s s TYR 147 N 0.49 3.26 0.17 1.61 6.14 -1.26 -5.08 117.35 122.68 3i9s s TYR 147 Ca -0.04 0.35 0.08 0.00 0.64 0.00 0.00 57.07 58.11 3i9s s TYR 147 Cb -0.14 -2.50 -0.04 0.00 0.42 0.00 0.00 41.96 39.69 3i9s s TYR 147 CO 0.03 -0.16 -0.09 0.71 0.64 0.00 0.00 175.55 176.67 3i9s s TYR 148 N 1.83 2.66 -0.15 4.97 1.51 -1.26 -5.14 117.35 121.78 3i9s s TYR 148 Ca 0.13 -0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 55.82 3i9s s TYR 148 Cb -0.16 -1.31 0.04 0.00 -0.11 0.00 0.00 41.96 40.42 3i9s s TYR 148 CO 0.09 0.50 0.44 0.50 -1.11 0.00 0.00 175.55 175.98 3i9s s ARG 149 N -2.74 0.55 -0.07 -0.62 3.52 -1.26 -5.13 118.95 113.20 3i9s s ARG 149 Ca 0.24 0.54 0.02 0.00 -0.13 0.00 0.00 55.73 56.40 3i9s s ARG 149 Cb -0.09 0.27 -0.03 0.00 -1.56 0.00 0.00 34.95 33.54 3i9s s ARG 149 CO 0.15 -0.08 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.40 3i9s s PHE 150 N 0.06 2.83 0.24 5.12 0.08 -1.26 -5.05 117.98 119.99 3i9s s PHE 150 Ca -0.01 -0.12 -0.14 0.00 0.12 0.00 0.00 56.93 56.77 3i9s s PHE 150 Cb -0.03 -1.70 0.00 0.00 -0.57 0.00 0.00 43.02 40.73 3i9s s PHE 150 CO 0.01 0.21 0.51 -1.83 -0.10 0.00 0.00 175.22 174.02 3i9s s GLU 151 N -0.63 1.54 3.06 0.44 4.04 -1.26 -4.72 118.70 121.17 3i9s s GLU 151 Ca 0.09 -1.16 0.00 0.00 0.04 0.00 0.00 54.97 53.95 3i9s s GLU 151 Cb -0.11 0.49 0.00 0.00 0.02 0.00 0.00 34.13 34.53 3i9s s GLU 151 CO 0.01 -0.65 0.00 0.41 -1.84 0.00 0.00 175.26 173.19 3i9s n GLY 152 N -0.38 2.98 0.26 -3.83 0.00 -1.26 -1.05 105.19 101.90 3i9s n GLY 152 Ca -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 3i9s n GLY 152 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i9s h ASN 153 N 0.00 0.54 -0.47 1.61 -0.26 -1.99 -1.82 115.58 113.19 3i9s h ASN 153 Ca 0.00 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.54 3i9s h ASN 153 Cb 0.00 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 3i9s h ASN 153 CO 0.00 0.70 0.10 1.23 -1.06 0.00 0.00 177.43 178.40 3i9s h GLY 154 N 0.95 0.82 0.97 2.83 0.00 -1.51 -0.26 103.07 106.87 3i9s h GLY 154 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3i9s h GLY 154 CO 0.03 0.49 0.17 -2.00 0.00 0.00 0.00 176.54 175.23 3i9s h LEU 155 N 0.64 0.73 -0.36 3.11 5.85 -1.06 -2.15 115.31 122.08 3i9s h LEU 155 Ca 0.15 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3i9s h LEU 155 Cb 0.35 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3i9s h LEU 155 CO 0.00 0.74 0.11 0.78 -0.34 0.00 0.00 178.44 179.73 3i9s h ASN 156 N 0.69 0.09 -0.76 1.25 2.35 -1.10 -1.22 115.58 116.89 3i9s h ASN 156 Ca 0.17 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3i9s h ASN 156 Cb 0.26 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.63 3i9s h ASN 156 CO -0.01 0.09 0.40 0.11 -1.65 0.00 0.00 177.43 176.37 3i9s h LYS 157 N 0.25 1.08 -0.22 0.81 1.57 -0.81 0.33 116.57 119.58 3i9s h LYS 157 Ca 0.17 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3i9s h LYS 157 Cb 0.16 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3i9s h LYS 157 CO -0.19 0.81 0.08 1.25 -0.57 0.00 0.00 179.45 180.83 3i9s h LEU 158 N 1.08 0.31 -0.45 2.94 5.85 -1.11 -2.19 115.31 121.74 3i9s h LEU 158 Ca 0.27 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3i9s h LEU 158 Cb 0.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 3i9s h LEU 158 CO -0.04 0.40 0.27 0.00 -0.34 0.00 0.00 178.44 178.73 3i9s h ALA 159 N 0.91 0.58 0.00 1.25 0.00 -0.43 -2.49 119.26 119.08 3i9s h ALA 159 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i9s h ALA 159 Cb 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i9s h ALA 159 CO -0.00 0.08 0.00 0.87 0.00 0.00 0.00 179.25 180.19 3i9s h LYS 160 N 0.60 0.00 -0.00 0.00 1.57 -0.25 -1.17 116.57 117.32 3i9s h LYS 160 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3i9s h LYS 160 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3i9s h LYS 160 CO -0.03 0.00 -0.01 -1.13 -0.57 0.00 0.00 179.45 177.72 3i9s n SER 161 N -3.02 0.12 0.00 0.86 3.41 -0.83 -5.08 113.62 109.08 3i9s n SER 161 Ca -0.01 -0.87 0.04 0.00 -0.26 0.00 0.00 58.87 57.78 3i9s n SER 161 Cb 0.21 -0.05 0.25 0.00 -0.26 0.00 0.00 64.21 64.36 3i9s n SER 161 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77