#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9s s VAL 3 N 0.00 2.75 -0.09 2.46 1.01 -1.26 -4.68 120.40 120.59 3i9s s VAL 3 Ca 0.00 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 3i9s s VAL 3 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3i9s s VAL 3 CO 0.00 0.16 0.19 -0.70 0.00 0.00 0.00 175.10 174.76 3i9s s GLU 4 N 1.29 3.52 -0.19 2.72 2.12 -0.76 -4.87 118.70 122.53 3i9s s GLU 4 Ca -0.01 -0.06 -0.05 0.00 0.36 0.00 0.00 54.97 55.21 3i9s s GLU 4 Cb -0.17 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 3i9s s GLU 4 CO -0.05 0.75 0.01 0.42 -0.54 0.00 0.00 175.26 175.85 3i9s s ILE 5 N -1.08 4.10 0.04 -3.70 -1.09 -1.26 0.07 121.20 118.28 3i9s s ILE 5 Ca 0.18 -0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.32 3i9s s ILE 5 Cb -0.13 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 3i9s s ILE 5 CO 0.07 0.44 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.46 3i9s s LYS 6 N 0.85 0.53 0.19 2.79 2.20 -0.59 -4.95 119.74 120.75 3i9s s LYS 6 Ca 0.01 -0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 54.34 3i9s s LYS 6 Cb -0.14 0.19 -0.08 0.00 -1.51 0.00 0.00 37.83 36.29 3i9s s LYS 6 CO 0.02 -0.10 1.13 0.50 -0.36 0.00 0.00 175.35 176.53 3i9s s ARG 7 N -3.05 4.57 -0.23 4.03 3.52 -1.26 -0.60 118.95 125.93 3i9s s ARG 7 Ca -0.01 1.77 -0.17 0.00 -0.13 0.00 0.00 55.73 57.19 3i9s s ARG 7 Cb 0.02 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.11 3i9s s ARG 7 CO -0.07 0.04 0.45 0.08 -0.81 0.00 0.00 175.30 174.99 3i9s s VAL 8 N -0.26 5.14 0.62 7.11 1.01 0.04 -4.92 120.40 129.15 3i9s s VAL 8 Ca 0.50 0.78 0.00 0.00 0.00 0.00 0.00 61.98 63.26 3i9s s VAL 8 Cb -0.30 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.37 3i9s s VAL 8 CO 0.36 0.17 0.87 1.51 0.00 0.00 0.00 175.10 178.01 3i9s s ASP 9 N 1.33 4.90 0.43 3.32 1.47 -1.26 -4.55 116.67 122.31 3i9s s ASP 9 Ca 0.20 -0.12 0.09 0.00 1.18 0.00 0.00 52.55 53.91 3i9s s ASP 9 Cb -0.15 -0.56 0.94 0.00 -0.34 0.00 0.00 42.92 42.80 3i9s s ASP 9 CO 0.09 -1.44 2.05 0.07 0.68 0.00 0.00 175.17 176.62 3i9s h LYS 10 N -0.20 0.36 0.00 2.11 2.10 -1.98 -1.37 116.57 117.60 3i9s h LYS 10 Ca -0.40 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3i9s h LYS 10 Cb 1.29 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3i9s h LYS 10 CO 0.48 0.28 0.00 1.58 -2.00 0.00 0.00 179.45 179.79 3i9s n HIS 11 N -4.45 0.82 -0.86 0.07 -0.00 -1.26 -2.40 115.22 107.14 3i9s n HIS 11 Ca 0.01 0.31 0.08 0.00 0.46 0.00 0.00 57.72 58.58 3i9s n HIS 11 Cb 0.10 -1.00 0.15 0.00 -0.12 0.00 0.00 29.99 29.13 3i9s n HIS 11 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 3i9s n HIS 12 N -2.24 0.25 0.19 1.57 8.25 -0.54 -4.78 115.22 117.93 3i9s n HIS 12 Ca 0.03 -0.87 0.07 0.00 -0.26 0.00 0.00 57.72 56.69 3i9s n HIS 12 Cb 0.26 -0.17 0.59 0.00 1.12 0.00 0.00 29.99 31.79 3i9s n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i9s h LEU 14 N 0.14 0.00 -2.79 0.00 3.38 -1.86 -1.91 115.31 112.27 3i9s h LEU 14 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i9s h LEU 14 Cb 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i9s h LEU 14 CO -0.01 0.00 -0.00 0.44 0.09 0.00 0.00 178.44 178.96 3i9s h ASP 15 N 0.00 0.00 0.57 -0.43 3.32 -1.26 -2.24 116.42 116.38 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 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3i9s h ASP 15 CO 0.00 0.00 -0.26 0.18 -1.72 0.00 0.00 179.24 177.45 3i9s n LEU 16 N -3.25 0.42 0.02 1.55 4.77 -0.72 -4.35 117.00 115.44 3i9s n LEU 16 Ca -0.03 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.96 3i9s n LEU 16 Cb 0.09 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.85 3i9s n LEU 16 CO 0.22 0.09 0.76 0.58 -1.33 0.00 0.00 177.39 177.71 3i9s h VAL 17 N 0.25 0.61 -0.60 4.08 2.07 -1.57 -1.51 116.25 119.58 3i9s h VAL 17 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3i9s h VAL 17 Cb 0.47 0.61 -0.12 0.00 -1.52 0.00 0.00 31.29 30.73 3i9s h VAL 17 CO 0.00 0.00 -0.20 1.23 0.02 0.00 0.00 177.57 178.62 3i9s h GLY 18 N -0.21 0.30 2.00 2.17 0.00 -1.81 -1.12 103.07 104.39 3i9s h GLY 18 Ca 0.08 0.26 -0.11 0.00 0.00 0.00 0.00 47.33 47.55 3i9s h GLY 18 CO -0.20 -0.23 -0.54 1.19 0.00 0.00 0.00 176.54 176.76 3i9s h ILE 19 N -0.05 1.22 -0.16 2.60 6.09 -1.72 -2.67 117.51 122.81 3i9s h ILE 19 Ca 0.28 -1.97 -0.20 0.00 -1.37 0.00 0.00 64.86 61.60 3i9s h ILE 19 Cb 0.48 2.11 0.00 0.00 0.47 0.00 0.00 36.82 39.89 3i9s h ILE 19 CO -0.64 0.53 -0.70 -0.26 -3.07 0.00 0.00 178.15 174.01 3i9s h PHE 20 N 0.00 0.92 -0.46 2.19 -1.00 -0.62 -0.68 116.94 117.29 3i9s h PHE 20 Ca -0.01 -0.38 0.07 0.00 2.81 0.00 0.00 57.97 60.46 3i9s h PHE 20 Cb 1.07 -0.15 -0.06 0.00 3.61 0.00 0.00 35.95 40.42 3i9s h PHE 20 CO 0.00 1.19 0.13 0.82 -1.61 0.00 0.00 178.31 178.84 3i9s h ILE 21 N 0.49 0.81 -0.60 -0.55 2.04 -1.13 0.49 117.51 119.06 3i9s h ILE 21 Ca -0.03 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3i9s h ILE 21 Cb 1.31 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 3i9s h ILE 21 CO 0.14 0.05 0.24 -0.08 0.00 0.00 0.00 178.15 178.50 3i9s h GLU 22 N 0.29 0.90 -0.79 2.37 4.81 -1.31 0.01 114.58 120.87 3i9s h GLU 22 Ca 0.22 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 3i9s h GLU 22 Cb 0.25 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3i9s h GLU 22 CO -0.25 0.77 0.44 1.25 -0.73 0.00 0.00 179.01 180.49 3i9s h LEU 23 N 0.83 0.97 -0.45 1.64 6.46 -0.39 -1.07 115.31 123.30 3i9s h LEU 23 Ca 0.20 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.84 3i9s h LEU 23 Cb 0.21 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.87 3i9s h LEU 23 CO -0.02 0.78 0.17 -0.33 -0.62 0.00 0.00 178.44 178.43 3i9s h GLU 24 N 1.08 0.67 -0.55 1.25 4.39 0.57 -1.72 114.58 120.27 3i9s h GLU 24 Ca 0.28 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 3i9s h GLU 24 Cb 0.01 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 3i9s h GLU 24 CO -0.05 0.62 0.10 0.00 -1.16 0.00 0.00 179.01 178.52 3i9s h ARG 25 N 0.58 0.90 -0.43 2.33 3.08 -0.81 0.56 114.38 120.59 3i9s h ARG 25 Ca 0.15 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 3i9s h ARG 25 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3i9s h ARG 25 CO -0.01 0.87 0.22 -0.92 -1.07 0.00 0.00 179.97 179.05 3i9s h TYR 26 N 0.79 0.62 0.00 3.04 5.03 -0.99 0.45 116.97 125.91 3i9s h TYR 26 Ca 0.17 -0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.28 3i9s h TYR 26 Cb 0.40 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.46 3i9s h TYR 26 CO 0.03 0.49 -1.25 1.88 -1.32 0.00 0.00 178.16 177.99 3i9s h TYR 27 N 0.56 0.00 0.00 -3.82 0.05 -1.24 -3.40 116.97 109.12 3i9s h TYR 27 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3i9s h TYR 27 Cb 0.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.84 3i9s h TYR 27 CO -0.01 0.64 0.00 1.19 -1.05 0.00 0.00 178.16 178.92 3i9s n PHE 28 N -3.00 0.00 0.00 4.88 3.72 0.18 -5.09 117.46 118.15 3i9s n PHE 28 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3i9s n PHE 28 Cb 0.85 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.39 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 0.24 3.65 0.29 1.37 0.00 0.15 -1.42 105.19 109.47 3i9s n GLY 29 Ca 0.00 0.16 0.16 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.16 1.61 3.32 -1.92 -1.50 116.42 117.77 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 0.05 0.00 0.29 -1.72 0.00 0.00 179.24 177.86 3i9s n LYS 31 N -3.53 1.80 -2.15 3.56 5.02 -0.51 -4.91 118.16 117.44 3i9s n LYS 31 Ca -0.02 -0.75 -0.40 0.00 -2.02 0.00 0.00 58.31 55.11 3i9s n LYS 31 Cb 0.16 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 3i9s n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i9s s ALA 32 N -1.54 3.46 0.53 7.82 0.00 -0.57 -4.95 121.76 126.51 3i9s s ALA 32 Ca 0.13 1.22 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 3i9s s ALA 32 Cb 0.09 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.68 3i9s s ALA 32 CO 0.05 -0.60 1.09 0.00 0.00 0.00 0.00 175.76 176.30 3i9s s ALA 33 N -1.16 2.75 0.81 0.00 0.00 -1.26 -5.02 121.76 117.88 3i9s s ALA 33 Ca 0.49 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 53.06 3i9s s ALA 33 Cb -0.39 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.49 3i9s s ALA 33 CO 0.51 -0.62 1.09 -1.54 0.00 0.00 0.00 175.76 175.20 3i9s s SER 34 N -1.91 4.32 0.26 0.00 1.04 -1.26 -4.87 113.70 111.27 3i9s s SER 34 Ca 0.70 1.47 -0.04 0.00 0.48 0.00 0.00 55.95 58.56 3i9s s SER 34 Cb -0.21 -2.20 0.32 0.00 0.10 0.00 0.00 66.02 64.03 3i9s s SER 34 CO 0.25 -2.10 1.83 -0.08 0.98 0.00 0.00 173.24 174.12 3i9s h GLU 35 N -1.18 1.00 -0.36 4.02 4.81 -1.98 -1.62 114.58 119.28 3i9s h GLU 35 Ca -0.47 -0.17 -0.13 0.00 -0.13 0.00 0.00 59.36 58.46 3i9s h GLU 35 Cb 1.26 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 3i9s h GLU 35 CO 0.57 0.82 -0.30 1.96 -0.73 0.00 0.00 179.01 181.33 3i9s h GLN 36 N 0.98 0.84 -0.48 1.92 1.08 -1.99 -1.14 115.11 116.32 3i9s h GLN 36 Ca 0.23 -0.42 0.10 0.00 -1.45 0.00 0.00 58.65 57.11 3i9s h GLN 36 Cb 0.20 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.54 3i9s h GLN 36 CO -0.02 1.06 -0.18 -0.44 -0.95 0.00 0.00 178.83 178.30 3i9s h ASP 37 N 0.63 -0.63 -0.01 1.46 3.32 -1.86 -1.75 116.42 117.58 3i9s h ASP 37 Ca 0.06 0.16 -0.16 0.00 0.02 0.00 0.00 57.03 57.12 3i9s h ASP 37 Cb 0.88 0.37 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 3i9s h ASP 37 CO 0.08 -0.21 -0.52 -0.07 -1.72 0.00 0.00 179.24 176.79 3i9s h LEU 38 N -0.07 0.64 -0.56 1.55 3.38 -1.12 -0.08 115.31 119.05 3i9s h LEU 38 Ca 0.23 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3i9s h LEU 38 Cb 0.43 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3i9s h LEU 38 CO -0.53 1.05 0.34 0.00 0.09 0.00 0.00 178.44 179.39 3i9s h ALA 39 N 0.97 0.71 0.09 1.53 0.00 -1.04 0.24 119.26 121.76 3i9s h ALA 39 Ca 0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i9s h ALA 39 Cb 1.06 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3i9s h ALA 39 CO 0.10 0.18 -0.05 -0.97 0.00 0.00 0.00 179.25 178.52 3i9s h ASN 40 N 0.75 -0.11 -0.67 0.00 -1.24 -0.91 -1.10 115.58 112.30 3i9s h ASN 40 Ca 0.20 -0.16 0.14 0.00 0.71 0.00 0.00 56.30 57.19 3i9s h ASN 40 Cb -0.03 0.03 -0.11 0.00 0.73 0.00 0.00 38.32 38.94 3i9s h ASN 40 CO -0.04 0.10 0.06 0.22 -1.29 0.00 0.00 177.43 176.48 3i9s h TYR 41 N -0.31 0.06 0.15 0.67 3.20 -0.84 -0.42 116.97 119.48 3i9s h TYR 41 Ca -0.01 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3i9s h TYR 41 Cb 0.26 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.61 3i9s h TYR 41 CO -0.01 -0.15 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.21 3i9s h LEU 42 N 0.16 -0.18 -0.83 2.82 3.38 -0.34 -1.00 115.31 119.33 3i9s h LEU 42 Ca 0.37 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 3i9s h LEU 42 Cb 0.61 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 3i9s h LEU 42 CO -0.54 0.04 -0.26 0.28 0.09 0.00 0.00 178.44 178.05 3i9s h SER 43 N -0.39 0.60 -0.00 -0.43 0.02 -0.81 -1.62 113.55 110.91 3i9s h SER 43 Ca -0.02 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3i9s h SER 43 Cb 0.31 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3i9s h SER 43 CO 0.03 0.84 -0.00 1.41 -1.14 0.00 0.00 176.83 177.97 3i9s n HIS 44 N -4.11 0.00 0.03 3.45 8.25 -0.20 -4.41 115.22 118.23 3i9s n HIS 44 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3i9s n HIS 44 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 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 0.07 0.00 -0.36 -0.41 1.13 -0.49 -4.45 117.38 112.87 3i9s n GLN 45 Ca 0.01 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.06 3i9s n GLN 45 Cb 0.06 -0.22 0.12 0.00 0.11 0.00 0.00 30.24 30.31 3i9s n GLN 45 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3i9s h VAL 46 N 0.00 1.20 -0.80 5.09 2.07 -1.28 -1.88 116.25 120.65 3i9s h VAL 46 Ca 0.00 -0.44 -0.51 0.00 0.82 0.00 0.00 66.70 66.57 3i9s h VAL 46 Cb 0.00 -0.18 -0.28 0.00 -1.52 0.00 0.00 31.29 29.30 3i9s h VAL 46 CO 0.00 0.23 0.25 0.49 0.02 0.00 0.00 177.57 178.56 3i9s n PHE 47 N -4.44 2.61 -2.16 1.57 3.01 -0.61 -4.79 117.46 112.66 3i9s n PHE 47 Ca 0.12 -2.33 -0.27 0.00 1.01 0.00 0.00 57.45 55.98 3i9s n PHE 47 Cb 0.06 -0.91 0.13 0.00 -0.01 0.00 0.00 39.48 38.75 3i9s n PHE 47 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3i9s s SER 48 N -2.29 4.00 0.36 4.37 1.04 -0.71 -4.75 113.70 115.71 3i9s s SER 48 Ca 0.56 0.22 0.18 0.00 0.48 0.00 0.00 55.95 57.38 3i9s s SER 48 Cb 0.46 -0.55 0.59 0.00 0.10 0.00 0.00 66.02 66.62 3i9s s SER 48 CO 0.02 -2.14 1.69 -0.33 0.98 0.00 0.00 173.24 173.46 3i9s h GLU 49 N -1.04 0.00 -0.08 4.02 4.39 -1.91 -3.08 114.58 116.88 3i9s h GLU 49 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 3i9s h GLU 49 Cb 1.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 3i9s h GLU 49 CO 0.47 0.41 0.00 -2.39 -1.16 0.00 0.00 179.01 176.34 3i9s n HIS 50 N -3.51 0.09 -2.53 4.33 1.44 -1.26 -4.89 115.22 108.88 3i9s n HIS 50 Ca -0.00 -0.04 -0.42 0.00 -2.01 0.00 0.00 57.72 55.25 3i9s n HIS 50 Cb 0.54 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.62 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 -1.82 7.21 0.00 4.39 0.15 -1.17 -4.95 113.70 117.52 3i9s s SER 51 Ca 0.36 1.92 0.27 0.00 0.70 0.00 0.00 55.95 59.20 3i9s s SER 51 Cb 0.20 -2.58 0.86 0.00 -1.71 0.00 0.00 66.02 62.79 3i9s s SER 51 CO 0.31 -0.35 1.65 0.61 1.20 0.00 0.00 173.24 176.66 3i9s n GLY 52 N 2.87 -1.23 3.91 9.45 0.00 -1.26 -4.94 105.19 113.99 3i9s n GLY 52 Ca 0.07 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.88 5.21 0.35 1.61 -7.23 -1.26 -4.48 120.40 111.72 3i9s s VAL 53 Ca 0.16 -0.64 0.08 0.00 -1.81 0.00 0.00 61.98 59.77 3i9s s VAL 53 Cb 0.18 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.47 3i9s s VAL 53 CO 0.60 -0.01 0.24 -0.54 -0.31 0.00 0.00 175.10 175.09 3i9s s LYS 54 N -2.93 2.55 -0.08 4.82 1.02 -0.01 -4.94 119.74 120.17 3i9s s LYS 54 Ca 0.34 -1.44 0.02 0.00 0.02 0.00 0.00 55.97 54.91 3i9s s LYS 54 Cb -0.12 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.87 3i9s s LYS 54 CO 0.27 0.06 -0.12 0.08 -0.92 0.00 0.00 175.35 174.73 3i9s s VAL 55 N -2.38 1.17 0.14 3.17 1.01 -1.26 -2.06 120.40 120.19 3i9s s VAL 55 Ca 0.41 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.98 3i9s s VAL 55 Cb -0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3i9s s VAL 55 CO 0.25 0.37 -0.01 0.27 0.00 0.00 0.00 175.10 175.98 3i9s s ILE 56 N 0.94 3.78 0.01 2.22 -4.36 -0.44 -0.78 121.20 122.58 3i9s s ILE 56 Ca -0.09 -1.27 0.01 0.00 -0.26 0.00 0.00 60.65 59.04 3i9s s ILE 56 Cb -0.15 -2.86 -0.01 0.00 1.25 0.00 0.00 42.46 40.69 3i9s s ILE 56 CO 0.00 -0.02 -0.05 0.00 0.24 0.00 0.00 174.94 175.11 3i9s s ALA 57 N -1.55 0.39 -0.21 2.27 0.00 0.24 -1.62 121.76 121.29 3i9s s ALA 57 Ca 0.26 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.66 3i9s s ALA 57 Cb -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3i9s s ALA 57 CO 0.18 0.03 0.35 0.00 0.00 0.00 0.00 175.76 176.32 3i9s s ALA 58 N -0.65 3.57 -0.08 0.00 0.00 0.38 -1.54 121.76 123.43 3i9s s ALA 58 Ca -0.04 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3i9s s ALA 58 Cb -0.05 -2.58 0.00 0.00 0.00 0.00 0.00 23.12 20.49 3i9s s ALA 58 CO -0.00 -0.30 -0.19 0.08 0.00 0.00 0.00 175.76 175.35 3i9s s VAL 59 N 1.31 1.67 -0.08 0.00 1.01 0.11 -0.75 120.40 123.67 3i9s s VAL 59 Ca 0.17 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3i9s s VAL 59 Cb -0.15 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.80 3i9s s VAL 59 CO 0.07 0.47 0.01 -0.70 0.00 0.00 0.00 175.10 174.96 3i9s s GLU 60 N 0.44 0.55 -1.31 2.72 2.12 -0.72 -1.82 118.70 120.68 3i9s s GLU 60 Ca -0.16 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 3i9s s GLU 60 Cb -0.17 -1.05 0.01 0.00 0.26 0.00 0.00 34.13 33.18 3i9s s GLU 60 CO 0.07 -0.34 0.82 0.72 -0.54 0.00 0.00 175.26 175.99 3i9s n HIS 61 N 5.15 -2.07 -1.05 5.30 8.25 -1.26 -2.45 115.22 127.10 3i9s n HIS 61 Ca -0.07 0.88 -0.02 0.00 -0.26 0.00 0.00 57.72 58.25 3i9s n HIS 61 Cb 0.50 -4.56 -0.01 0.00 1.12 0.00 0.00 29.99 27.04 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 -3.05 -5.25 -4.54 0.41 2.03 -1.26 -4.97 116.55 99.92 3i9s n ASP 62 Ca -0.25 0.04 -0.32 0.00 0.52 0.00 0.00 54.79 54.79 3i9s n ASP 62 Cb 0.66 -2.91 -0.11 0.00 -0.72 0.00 0.00 41.12 38.03 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 -1.73 2.39 -0.17 -0.67 1.02 -1.02 -5.10 119.74 114.45 3i9s s LYS 63 Ca 0.00 -0.80 -0.26 0.00 0.02 0.00 0.00 55.97 54.93 3i9s s LYS 63 Cb 0.00 -2.38 -0.01 0.00 -0.52 0.00 0.00 37.83 34.91 3i9s s LYS 63 CO 0.00 0.58 0.86 0.08 -0.92 0.00 0.00 175.35 175.95 3i9s s VAL 64 N -0.94 4.86 -0.07 3.17 1.01 -1.26 -1.76 120.40 125.40 3i9s s VAL 64 Ca 0.16 1.68 0.21 0.00 0.00 0.00 0.00 61.98 64.03 3i9s s VAL 64 Cb -0.11 -4.16 -0.30 0.00 0.00 0.00 0.00 36.38 31.81 3i9s s VAL 64 CO 0.06 0.00 0.46 0.18 0.00 0.00 0.00 175.10 175.80 3i9s n LEU 65 N 5.35 0.07 -3.61 3.92 4.77 0.07 -4.85 117.00 122.73 3i9s n LEU 65 Ca 0.05 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 3i9s n LEU 65 Cb 0.48 0.07 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 3i9s n LEU 65 CO 0.49 0.07 1.07 -0.83 -1.33 0.00 0.00 177.39 176.86 3i9s s GLY 66 N -4.66 -0.32 0.08 -0.72 0.00 -1.24 0.28 107.32 100.75 3i9s s GLY 66 Ca -0.08 1.40 -0.07 0.00 0.00 0.00 0.00 44.72 45.97 3i9s s GLY 66 CO 0.89 0.43 0.15 -0.11 0.00 0.00 0.00 173.10 174.46 3i9s s PHE 67 N -2.31 0.21 0.03 1.90 -0.12 -0.46 -0.47 117.98 116.75 3i9s s PHE 67 Ca 0.11 -0.66 0.02 0.00 -0.05 0.00 0.00 56.93 56.35 3i9s s PHE 67 Cb 0.01 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.27 3i9s s PHE 67 CO -0.04 -0.52 -0.06 0.00 -0.05 0.00 0.00 175.22 174.55 3i9s s ALA 68 N -3.87 0.45 -0.00 1.99 0.00 -0.64 -1.47 121.76 118.23 3i9s s ALA 68 Ca 0.05 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.50 3i9s s ALA 68 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 3i9s s ALA 68 CO -0.11 -0.00 -0.15 0.95 0.00 0.00 0.00 175.76 176.45 3i9s s THR 69 N -0.98 3.03 0.08 0.00 -4.23 -0.66 -1.33 115.64 111.55 3i9s s THR 69 Ca -0.07 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.44 3i9s s THR 69 Cb -0.07 -2.24 -0.00 0.00 1.34 0.00 0.00 72.50 71.52 3i9s s THR 69 CO 0.00 0.46 0.17 -0.72 -0.54 0.00 0.00 174.62 173.99 3i9s s TYR 70 N -0.85 0.16 0.07 3.99 1.13 -0.88 -0.63 117.35 120.35 3i9s s TYR 70 Ca 0.14 -0.57 0.00 0.00 -1.41 0.00 0.00 57.07 55.23 3i9s s TYR 70 Cb -0.11 -0.08 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 3i9s s TYR 70 CO 0.04 -0.51 -0.05 -0.08 -2.51 0.00 0.00 175.55 172.43 3i9s s THR 71 N -3.66 0.45 0.29 -3.49 -1.32 0.03 -0.83 115.64 107.11 3i9s s THR 71 Ca 0.03 -1.78 0.09 0.00 -1.21 0.00 0.00 61.69 58.82 3i9s s THR 71 Cb 0.04 -1.48 -0.04 0.00 -1.51 0.00 0.00 72.50 69.50 3i9s s THR 71 CO -0.10 -0.88 0.03 -0.63 -2.21 0.00 0.00 174.62 170.82 3i9s s ILE 72 N -3.52 3.23 0.00 5.08 1.01 -1.26 -0.24 121.20 125.50 3i9s s ILE 72 Ca 0.07 -1.88 0.00 0.00 0.00 0.00 0.00 60.65 58.84 3i9s s ILE 72 Cb 0.05 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.66 3i9s s ILE 72 CO -0.07 -0.31 0.00 0.49 0.00 0.00 0.00 174.94 175.05 3i9s n PHE 74 N -0.95 0.00 -2.21 3.97 3.01 -1.26 -4.91 117.46 115.10 3i9s n PHE 74 Ca -0.05 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.14 3i9s n PHE 74 Cb 0.60 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.13 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 2.34 0.20 -1.08 0.04 -1.26 -5.09 135.00 128.15 3i9s s PRO 75 Ca 0.00 -0.17 -0.15 0.00 0.04 0.00 0.00 61.00 60.72 3i9s s PRO 75 Cb 0.00 -2.17 0.01 0.00 0.04 0.00 0.00 34.50 32.38 3i9s s PRO 75 CO 0.00 -1.15 0.47 0.00 0.04 0.00 0.00 177.00 176.36 3i9s s ALA 76 N -3.22 -0.64 0.84 8.56 0.00 -1.24 -4.91 121.76 121.15 3i9s s ALA 76 Ca 0.59 -0.47 -0.11 0.00 0.00 0.00 0.00 51.96 51.97 3i9s s ALA 76 Cb -0.11 0.89 0.10 0.00 0.00 0.00 0.00 23.12 24.00 3i9s s ALA 76 CO 0.45 -0.79 1.15 -2.14 0.00 0.00 0.00 175.76 174.43 3i9s s PRO 77 N -3.92 1.55 -1.46 0.00 0.02 -1.26 -3.75 135.00 126.17 3i9s s PRO 77 Ca 0.13 1.50 -0.08 0.00 0.02 0.00 0.00 61.00 62.57 3i9s s PRO 77 Cb -0.00 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.76 3i9s s PRO 77 CO 0.00 -2.23 0.83 1.63 -0.33 0.00 0.00 177.00 176.90 3i9s n LYS 78 N -3.75 -5.71 -3.84 5.54 5.02 -1.26 -2.98 118.16 111.18 3i9s n LYS 78 Ca 0.11 0.77 -0.25 0.00 -2.02 0.00 0.00 58.31 56.93 3i9s n LYS 78 Cb 0.52 -5.68 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 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 -4.39 -2.58 -4.18 -0.35 4.77 -1.25 -4.95 117.00 104.06 3i9s n LEU 79 Ca -0.04 -0.95 -0.17 0.00 -0.03 0.00 0.00 56.01 54.83 3i9s n LEU 79 Cb 0.58 -2.38 -0.06 0.00 -2.33 0.00 0.00 43.42 39.22 3i9s n LEU 79 CO 0.58 0.43 0.00 -0.94 -1.33 0.00 0.00 177.39 176.13 3i9s s SER 80 N -4.28 1.21 0.34 -1.43 1.04 -1.16 -5.08 113.70 104.35 3i9s s SER 80 Ca 0.05 -1.60 -0.03 0.00 0.48 0.00 0.00 55.95 54.85 3i9s s SER 80 Cb -0.02 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 3i9s s SER 80 CO 0.86 -1.16 0.59 -0.83 0.98 0.00 0.00 173.24 173.68 3i9s s GLY 81 N -3.29 1.59 0.00 7.32 0.00 -0.69 -3.61 107.32 108.64 3i9s s GLY 81 Ca 0.36 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.39 3i9s s GLY 81 CO 0.23 -0.59 0.00 -0.18 0.00 0.00 0.00 173.10 172.56 3i9s n GLN 82 N -1.49 3.18 -0.28 2.90 7.27 -1.26 -2.92 117.38 124.78 3i9s n GLN 82 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 3i9s n GLN 82 Cb 0.55 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.20 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 -0.07 -0.00 0.03 3.69 4.19 0.67 -4.49 117.16 121.18 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 -4.02 2.98 3.00 0.20 -0.79 118.16 119.53 3i9s n LYS 86 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.18 3i9s n LYS 86 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 34.90 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 -3.95 0.38 -0.08 3.14 1.01 -1.22 -4.91 116.67 111.03 3i9s s ASP 87 Ca 0.00 -0.19 0.03 0.00 0.71 0.00 0.00 52.55 53.10 3i9s s ASP 87 Cb 0.00 -0.00 0.01 0.00 1.01 0.00 0.00 42.92 43.94 3i9s s ASP 87 CO 0.00 -0.05 -0.16 -0.22 0.21 0.00 0.00 175.17 174.95 3i9s s LEU 88 N -0.50 1.77 -0.09 1.23 2.96 -1.26 -1.66 118.68 121.13 3i9s s LEU 88 Ca -0.03 -0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 3i9s s LEU 88 Cb -0.04 -1.03 0.05 0.00 0.50 0.00 0.00 46.19 45.67 3i9s s LEU 88 CO -0.00 0.06 0.20 0.12 -1.32 0.00 0.00 176.35 175.41 3i9s s PHE 89 N 0.65 -0.27 -0.13 5.38 5.36 -0.54 -5.03 117.98 123.41 3i9s s PHE 89 Ca -0.14 0.68 0.03 0.00 -0.96 0.00 0.00 56.93 56.54 3i9s s PHE 89 Cb -0.16 -0.05 0.01 0.00 -0.34 0.00 0.00 43.02 42.48 3i9s s PHE 89 CO 0.04 -0.23 -0.22 0.08 -1.46 0.00 0.00 175.22 173.43 3i9s s VAL 90 N 1.51 2.14 0.29 3.12 1.01 -1.26 -1.36 120.40 125.85 3i9s s VAL 90 Ca -0.06 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 3i9s s VAL 90 Cb -0.11 -1.85 -0.13 0.00 0.00 0.00 0.00 36.38 34.29 3i9s s VAL 90 CO -0.07 0.55 1.33 -0.24 0.00 0.00 0.00 175.10 176.66 3i9s n SER 91 N 3.92 2.68 0.28 3.32 2.88 0.14 -4.83 113.62 122.01 3i9s n SER 91 Ca -0.20 1.17 0.18 0.00 -1.33 0.00 0.00 58.87 58.70 3i9s n SER 91 Cb 0.52 -1.45 0.95 0.00 -0.75 0.00 0.00 64.21 63.48 3i9s n SER 91 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3i9s h SER 92 N 3.31 0.00 0.62 -3.46 4.64 -1.99 -0.10 113.55 116.58 3i9s h SER 92 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3i9s h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3i9s h SER 92 CO 0.69 0.00 -0.08 -1.54 -0.87 0.00 0.00 176.83 175.03 3i9s n SER 93 N -3.33 0.17 -0.18 4.97 3.41 -1.26 -3.35 113.62 114.05 3i9s n SER 93 Ca -0.01 -0.09 0.02 0.00 -0.26 0.00 0.00 58.87 58.52 3i9s n SER 93 Cb 0.26 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.27 2.19 -1.78 7.33 0.00 -0.06 -5.05 120.51 121.86 3i9s n ALA 94 Ca 0.12 -0.89 -0.41 0.00 0.00 0.00 0.00 53.44 52.26 3i9s n ALA 94 Cb 0.29 -0.13 -0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.78 4.14 0.00 0.00 3.52 -1.13 -2.93 118.95 121.77 3i9s s ARG 95 Ca 0.06 2.50 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 3i9s s ARG 95 Cb 0.03 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.45 3i9s s ARG 95 CO 0.05 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.47 3i9s n GLY 96 N 0.52 0.67 0.86 8.12 0.00 -1.26 -4.92 105.19 109.18 3i9s n GLY 96 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.03 2.34 -2.12 1.61 5.02 -1.15 -4.97 118.16 116.85 3i9s n LYS 97 Ca 0.00 -2.06 -0.15 0.00 -2.02 0.00 0.00 58.31 54.08 3i9s n LYS 97 Cb 0.00 -1.37 -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 0.99 0.08 0.25 0.72 0.00 -1.26 -4.92 105.19 101.04 3i9s n GLY 98 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.97 -0.61 -0.61 1.08 -1.93 -2.29 117.51 114.11 3i9s h ILE 99 Ca -0.34 -0.22 0.04 0.00 -0.39 0.00 0.00 64.86 63.95 3i9s h ILE 99 Cb 1.20 0.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.18 3i9s h ILE 99 CO 0.41 0.12 0.36 1.23 -0.69 0.00 0.00 178.15 179.58 3i9s h GLY 100 N 0.64 0.88 0.98 5.37 0.00 -1.94 0.35 103.07 109.35 3i9s h GLY 100 Ca 0.28 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 3i9s h GLY 100 CO -0.17 0.20 0.22 -2.00 0.00 0.00 0.00 176.54 174.78 3i9s h LEU 101 N 0.69 0.44 -0.92 3.11 5.85 -1.89 -2.84 115.31 119.75 3i9s h LEU 101 Ca 0.26 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3i9s h LEU 101 Cb 0.08 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3i9s h LEU 101 CO -0.13 0.38 0.56 1.56 -0.34 0.00 0.00 178.44 180.46 3i9s h GLN 102 N 0.48 1.25 -0.44 1.25 4.20 -0.84 0.88 115.11 121.89 3i9s h GLN 102 Ca 0.13 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3i9s h GLN 102 Cb 0.02 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.54 3i9s h GLN 102 CO -0.02 0.88 0.00 1.28 -0.67 0.00 0.00 178.83 180.29 3i9s n LEU 103 N -4.37 0.19 0.00 1.46 4.77 0.05 -1.58 117.00 117.52 3i9s n LEU 103 Ca 0.10 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3i9s n LEU 103 Cb 0.06 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3i9s n LEU 103 CO 0.38 0.04 0.00 0.29 -1.33 0.00 0.00 177.39 176.77 3i9s n LYS 105 N 0.52 0.00 -0.16 3.23 5.02 0.30 -1.23 118.16 125.85 3i9s n LYS 105 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3i9s n LYS 105 Cb 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.06 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 0.60 -0.97 2.13 2.76 -1.54 -1.21 115.15 116.92 3i9s h HIS 106 Ca 0.00 0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3i9s h HIS 106 Cb 0.00 -0.20 -0.07 0.00 1.55 0.00 0.00 27.41 28.69 3i9s h HIS 106 CO 0.00 0.38 0.62 -0.07 -1.30 0.00 0.00 177.93 177.56 3i9s h LEU 107 N 0.64 0.98 -1.14 0.26 3.38 -1.43 -1.55 115.31 116.45 3i9s h LEU 107 Ca 0.17 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3i9s h LEU 107 Cb -0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3i9s h LEU 107 CO -0.04 0.61 0.33 0.00 0.09 0.00 0.00 178.44 179.43 3i9s h ALA 108 N 1.45 1.33 -0.44 1.53 0.00 -1.58 -1.00 119.26 120.56 3i9s h ALA 108 Ca 0.43 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 3i9s h ALA 108 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3i9s h ALA 108 CO -0.19 0.53 0.10 1.15 0.00 0.00 0.00 179.25 180.84 3i9s h THR 109 N 0.93 1.23 -0.66 0.00 2.02 -0.28 -2.53 112.91 113.62 3i9s h THR 109 Ca 0.23 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.58 3i9s h THR 109 Cb 0.08 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 3i9s h THR 109 CO -0.03 0.29 0.37 0.40 0.37 0.00 0.00 175.52 176.91 3i9s h ILE 110 N 0.58 1.21 -0.39 3.11 2.04 -0.86 -2.62 117.51 120.58 3i9s h ILE 110 Ca 0.14 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.55 3i9s h ILE 110 Cb 0.32 0.34 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 3i9s h ILE 110 CO 0.00 0.23 0.04 0.00 0.00 0.00 0.00 178.15 178.42 3i9s h ALA 111 N 1.18 0.40 -0.03 1.87 0.00 -0.98 -1.87 119.26 119.83 3i9s h ALA 111 Ca 0.23 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 55.09 3i9s h ALA 111 Cb 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3i9s h ALA 111 CO -0.04 -0.36 -0.64 -0.84 0.00 0.00 0.00 179.25 177.37 3i9s h ILE 112 N 0.15 1.43 0.00 0.00 3.07 -1.30 0.11 117.51 120.97 3i9s h ILE 112 Ca 0.19 -2.13 0.00 0.00 1.55 0.00 0.00 64.86 64.47 3i9s h ILE 112 Cb 0.25 2.12 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3i9s h ILE 112 CO -0.29 0.62 0.00 0.35 -1.05 0.00 0.00 178.15 177.78 3i9s n THR 113 N -3.81 0.23 -1.57 0.16 -2.24 -1.00 -3.14 114.28 102.91 3i9s n THR 113 Ca -0.02 0.06 0.02 0.00 -2.27 0.00 0.00 64.05 61.84 3i9s n THR 113 Cb 0.64 -0.62 0.20 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.50 0.37 -3.88 4.78 8.25 -0.72 -4.99 115.22 117.53 3i9s n HIS 114 Ca 0.06 -1.55 -0.27 0.00 -0.26 0.00 0.00 57.72 55.69 3i9s n HIS 114 Cb 0.30 -0.33 0.02 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.11 -3.14 -4.84 0.41 5.15 -1.09 -4.69 115.26 105.93 3i9s n ASN 115 Ca 0.24 -0.83 -0.37 0.00 -0.60 0.00 0.00 54.58 53.02 3i9s n ASN 115 Cb 0.80 -3.77 -0.06 0.00 -0.53 0.00 0.00 39.78 36.21 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 2.35 1.24 -4.23 0.00 1.13 -1.15 -4.32 117.38 112.40 3i9s n GLN 117 Ca -0.19 -0.49 -0.17 0.00 -1.94 0.00 0.00 57.00 54.21 3i9s n GLN 117 Cb 0.54 -1.37 -0.14 0.00 0.11 0.00 0.00 30.24 29.39 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 -2.43 0.60 -0.21 -1.09 0.52 -1.26 -5.12 118.95 109.96 3i9s s ARG 118 Ca 0.12 -0.40 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 3i9s s ARG 118 Cb 0.15 -0.54 0.04 0.00 0.52 0.00 0.00 34.95 35.12 3i9s s ARG 118 CO 0.61 0.14 -0.11 -1.17 0.02 0.00 0.00 175.30 174.79 3i9s s LEU 119 N -0.53 2.48 0.23 2.53 2.96 -1.26 -4.63 118.68 120.47 3i9s s LEU 119 Ca 0.00 -0.97 0.10 0.00 -0.22 0.00 0.00 54.13 53.04 3i9s s LEU 119 Cb -0.05 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 3i9s s LEU 119 CO 0.00 -0.14 -0.09 -1.81 -1.32 0.00 0.00 176.35 172.99 3i9s s ASP 120 N 1.33 4.19 0.15 3.68 1.01 -1.26 -5.00 116.67 120.78 3i9s s ASP 120 Ca -0.02 -0.71 -0.24 0.00 0.71 0.00 0.00 52.55 52.28 3i9s s ASP 120 Cb -0.17 -0.66 0.07 0.00 1.01 0.00 0.00 42.92 43.18 3i9s s ASP 120 CO -0.08 0.05 1.00 -1.66 0.21 0.00 0.00 175.17 174.70 3i9s s TRP 121 N -2.10 -0.06 0.28 4.23 -2.14 -1.26 -4.17 118.94 113.72 3i9s s TRP 121 Ca 0.28 -0.27 0.11 0.00 2.66 0.00 0.00 56.10 58.89 3i9s s TRP 121 Cb -0.07 0.65 -0.05 0.00 -3.10 0.00 0.00 33.47 30.90 3i9s s TRP 121 CO 0.17 -0.83 -0.18 0.95 -2.66 0.00 0.00 176.95 174.40 3i9s s THR 122 N -2.89 2.37 0.18 0.66 -4.23 -1.26 -5.09 115.64 105.38 3i9s s THR 122 Ca 0.15 -2.36 0.01 0.00 -1.18 0.00 0.00 61.69 58.31 3i9s s THR 122 Cb -0.01 -2.33 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 3i9s s THR 122 CO 0.03 -0.39 0.02 0.00 -0.54 0.00 0.00 174.62 173.74 3i9s s ALA 123 N -2.57 1.31 -0.01 3.99 0.00 -1.26 -5.07 121.76 118.15 3i9s s ALA 123 Ca 0.30 -1.60 -0.17 0.00 0.00 0.00 0.00 51.96 50.49 3i9s s ALA 123 Cb -0.04 0.67 -0.06 0.00 0.00 0.00 0.00 23.12 23.70 3i9s s ALA 123 CO 0.14 -0.37 0.46 -1.21 0.00 0.00 0.00 175.76 174.79 3i9s s GLU 124 N -3.96 4.07 0.27 0.00 0.41 -1.26 -4.97 118.70 113.27 3i9s s GLU 124 Ca 0.26 0.50 0.24 0.00 -0.41 0.00 0.00 54.97 55.55 3i9s s GLU 124 Cb 0.07 -3.27 0.99 0.00 -1.78 0.00 0.00 34.13 30.14 3i9s s GLU 124 CO 0.05 0.57 1.72 -1.13 -0.49 0.00 0.00 175.26 175.98 3i9s n SER 125 N 2.18 0.70 -0.45 -0.19 3.41 -1.26 -1.62 113.62 116.41 3i9s n SER 125 Ca -0.12 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.23 3i9s n SER 125 Cb 0.52 -0.82 0.23 0.00 -0.26 0.00 0.00 64.21 63.88 3i9s n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i9s n THR 126 N -2.27 0.27 -2.86 6.66 -2.24 -1.26 -3.85 114.28 108.73 3i9s n THR 126 Ca 0.02 -0.31 -0.17 0.00 -2.27 0.00 0.00 64.05 61.32 3i9s n THR 126 Cb 0.24 0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.16 2.02 0.31 3.42 4.05 -0.64 -4.96 115.26 119.63 3i9s n ASN 127 Ca 0.11 -3.07 0.18 0.00 0.45 0.00 0.00 54.58 52.25 3i9s n ASN 127 Cb 0.23 -0.56 0.94 0.00 1.23 0.00 0.00 39.78 41.62 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 2.94 0.00 0.01 1.20 0.11 -1.72 0.59 132.00 135.14 3i9s h PRO 128 Ca 0.05 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.19 3i9s h PRO 128 Cb 0.99 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 3i9s h PRO 128 CO 0.59 0.00 -0.22 1.15 -0.21 0.00 0.00 178.00 179.30 3i9s h THR 129 N 0.00 0.48 -0.28 -1.15 2.02 -1.93 -2.00 112.91 110.06 3i9s h THR 129 Ca 0.02 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.27 3i9s h THR 129 Cb 0.47 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.28 3i9s h THR 129 CO -0.00 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.66 3i9s h ALA 130 N 0.50 -0.07 -0.99 6.16 0.00 -1.22 -0.24 119.26 123.40 3i9s h ALA 130 Ca 0.06 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3i9s h ALA 130 Cb 0.43 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 3i9s h ALA 130 CO -0.20 -0.64 0.63 0.78 0.00 0.00 0.00 179.25 179.83 3i9s h GLY 131 N -0.21 1.51 0.92 0.00 0.00 -1.63 0.21 103.07 103.86 3i9s h GLY 131 Ca 0.15 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 3i9s h GLY 131 CO -0.41 0.31 -0.01 0.50 0.00 0.00 0.00 176.54 176.93 3i9s h LYS 132 N 1.13 -0.02 -0.22 4.80 1.57 -0.55 0.29 116.57 123.56 3i9s h LYS 132 Ca 0.43 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.27 3i9s h LYS 132 Cb 0.21 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.46 3i9s h LYS 132 CO -0.19 0.06 -0.17 0.35 -0.57 0.00 0.00 179.45 178.94 3i9s h PHE 133 N -0.10 -0.42 -0.14 -1.35 3.57 -0.38 0.26 116.94 118.38 3i9s h PHE 133 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3i9s h PHE 133 Cb 0.09 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3i9s h PHE 133 CO -0.05 -0.24 0.09 1.88 -2.23 0.00 0.00 178.31 177.76 3i9s h TYR 134 N -0.16 0.17 -0.80 0.41 0.05 -0.31 -1.54 116.97 114.79 3i9s h TYR 134 Ca 0.13 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.93 3i9s h TYR 134 Cb 0.36 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 3i9s h TYR 134 CO -0.32 0.12 0.53 0.87 -1.05 0.00 0.00 178.16 178.30 3i9s h LYS 135 N 0.18 1.02 0.00 4.88 1.79 -0.23 -2.38 116.57 121.83 3i9s h LYS 135 Ca 0.05 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3i9s h LYS 135 Cb -0.01 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.40 3i9s h LYS 135 CO -0.01 0.67 -0.15 0.66 -1.08 0.00 0.00 179.45 179.54 3i9s h SER 136 N 1.05 0.00 -0.50 0.86 4.64 0.49 -2.50 113.55 117.58 3i9s h SER 136 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3i9s h SER 136 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3i9s h SER 136 CO -0.07 0.15 0.00 2.30 -0.87 0.00 0.00 176.83 178.34 3i9s n ILE 137 N -3.66 0.66 0.00 0.95 -5.35 -0.84 -4.93 119.36 106.20 3i9s n ILE 137 Ca -0.02 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 3i9s n ILE 137 Cb 0.28 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 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 1.36 0.85 3.78 3.28 0.00 -0.94 -5.09 105.19 108.43 3i9s n GLY 138 Ca 0.18 0.00 -0.36 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 2.99 -0.14 4.61 0.00 -1.00 -5.03 121.76 121.20 3i9s s ALA 139 Ca 0.00 0.76 -0.08 0.00 0.00 0.00 0.00 51.96 52.64 3i9s s ALA 139 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3i9s s ALA 139 CO 0.00 -0.39 0.13 -1.12 0.00 0.00 0.00 175.76 174.38 3i9s s SER 140 N -1.59 6.31 -0.20 0.00 0.01 -1.26 -4.52 113.70 112.44 3i9s s SER 140 Ca 0.62 0.40 -0.22 0.00 1.31 0.00 0.00 55.95 58.07 3i9s s SER 140 Cb -0.23 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 3i9s s SER 140 CO 0.28 0.35 0.67 -0.22 0.41 0.00 0.00 173.24 174.73 3i9s s LEU 141 N -0.69 4.14 -0.80 2.44 2.96 -1.26 -5.02 118.68 120.45 3i9s s LEU 141 Ca 0.13 0.88 -0.16 0.00 -0.22 0.00 0.00 54.13 54.76 3i9s s LEU 141 Cb -0.12 -2.95 0.17 0.00 0.50 0.00 0.00 46.19 43.79 3i9s s LEU 141 CO 0.03 -0.31 0.85 -0.63 -1.32 0.00 0.00 176.35 174.97 3i9s s ILE 142 N 2.04 5.19 0.21 6.68 -1.09 -1.26 -4.90 121.20 128.07 3i9s s ILE 142 Ca 0.30 -1.89 0.29 0.00 -2.23 0.00 0.00 60.65 57.12 3i9s s ILE 142 Cb -0.16 -4.56 0.30 0.00 -1.58 0.00 0.00 42.46 36.47 3i9s s ILE 142 CO 0.10 -1.18 1.96 0.03 -1.23 0.00 0.00 174.94 174.61 3i9s h ARG 143 N 8.40 0.00 0.00 2.79 3.08 -2.07 -2.49 114.38 124.09 3i9s h ARG 143 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3i9s h ARG 143 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.10 3i9s h ARG 143 CO 0.94 0.12 0.00 0.39 -1.07 0.00 0.00 179.97 180.35 3i9s n GLU 144 N -3.34 0.22 -2.41 0.04 1.02 -1.26 -4.78 120.64 110.13 3i9s n GLU 144 Ca -0.00 0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 57.04 3i9s n GLU 144 Cb 0.33 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.89 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 -3.22 4.32 -0.14 3.49 2.47 -0.94 -5.02 119.74 120.69 3i9s s LYS 145 Ca 0.07 1.72 -0.04 0.00 -1.56 0.00 0.00 55.97 56.16 3i9s s LYS 145 Cb 0.11 -3.60 -0.03 0.00 -1.46 0.00 0.00 37.83 32.85 3i9s s LYS 145 CO 0.48 -0.52 -0.00 -1.21 0.16 0.00 0.00 175.35 174.27 3i9s s GLU 146 N 2.48 3.57 -0.26 4.03 2.02 -1.26 -5.08 118.70 124.20 3i9s s GLU 146 Ca 0.57 -0.45 -0.07 0.00 0.02 0.00 0.00 54.97 55.05 3i9s s GLU 146 Cb -0.25 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 3i9s s GLU 146 CO 0.22 0.37 0.05 -0.47 0.02 0.00 0.00 175.26 175.44 3i9s s TYR 147 N 0.04 3.08 0.25 1.61 6.14 -1.26 -5.10 117.35 122.11 3i9s s TYR 147 Ca 0.02 -0.68 0.10 0.00 0.64 0.00 0.00 57.07 57.15 3i9s s TYR 147 Cb -0.13 -2.22 -0.04 0.00 0.42 0.00 0.00 41.96 39.99 3i9s s TYR 147 CO 0.02 -0.46 -0.09 0.71 0.64 0.00 0.00 175.55 176.37 3i9s s TYR 148 N 1.56 2.55 -0.24 4.97 1.51 -1.26 -5.14 117.35 121.29 3i9s s TYR 148 Ca 0.05 -0.26 -0.20 0.00 -1.01 0.00 0.00 57.07 55.65 3i9s s TYR 148 Cb -0.16 -1.15 0.06 0.00 -0.11 0.00 0.00 41.96 40.61 3i9s s TYR 148 CO 0.02 0.62 0.62 0.50 -1.11 0.00 0.00 175.55 176.19 3i9s s ARG 149 N -3.39 0.70 -0.08 -0.62 3.52 -1.26 -5.14 118.95 112.68 3i9s s ARG 149 Ca 0.29 0.91 -0.03 0.00 -0.13 0.00 0.00 55.73 56.76 3i9s s ARG 149 Cb -0.07 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.59 3i9s s ARG 149 CO 0.17 -0.10 0.07 -0.06 -0.81 0.00 0.00 175.30 174.57 3i9s s PHE 150 N 0.57 3.35 0.25 5.12 0.08 -1.26 -5.04 117.98 121.05 3i9s s PHE 150 Ca -0.02 0.32 -0.13 0.00 0.12 0.00 0.00 56.93 57.22 3i9s s PHE 150 Cb -0.05 -1.83 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 3i9s s PHE 150 CO -0.03 0.58 0.49 -1.83 -0.10 0.00 0.00 175.22 174.33 3i9s s GLU 151 N -1.11 1.56 1.81 0.44 -1.05 -1.26 -4.70 118.70 114.39 3i9s s GLU 151 Ca 0.16 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 53.73 3i9s s GLU 151 Cb -0.12 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 3i9s s GLU 151 CO 0.05 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 176.02 3i9s n GLY 152 N -0.39 2.74 0.24 -3.83 0.00 -1.26 -1.17 105.19 101.52 3i9s n GLY 152 Ca -0.02 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 0.47 -0.24 1.61 -0.26 -1.99 -2.04 115.58 113.13 3i9s h ASN 153 Ca 0.00 -0.15 0.04 0.00 -0.56 0.00 0.00 56.30 55.63 3i9s h ASN 153 Cb 0.00 -0.13 -0.04 0.00 -1.06 0.00 0.00 38.32 37.09 3i9s h ASN 153 CO 0.00 0.71 -0.00 1.23 -1.06 0.00 0.00 177.43 178.31 3i9s h GLY 154 N 1.00 0.23 0.90 2.83 0.00 -1.56 0.10 103.07 106.58 3i9s h GLY 154 Ca 0.06 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.45 3i9s h GLY 154 CO 0.05 -0.05 0.56 -2.00 0.00 0.00 0.00 176.54 175.10 3i9s h LEU 155 N 0.07 0.94 -0.38 3.11 5.85 -0.91 -2.53 115.31 121.46 3i9s h LEU 155 Ca 0.12 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3i9s h LEU 155 Cb 0.15 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3i9s h LEU 155 CO -0.20 0.65 0.09 0.78 -0.34 0.00 0.00 178.44 179.42 3i9s h ASN 156 N 1.10 0.58 -0.90 1.25 2.35 -0.74 -1.86 115.58 117.37 3i9s h ASN 156 Ca 0.34 -0.24 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3i9s h ASN 156 Cb -0.02 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.15 3i9s h ASN 156 CO -0.11 0.67 0.59 0.11 -1.65 0.00 0.00 177.43 177.04 3i9s h LYS 157 N 0.47 1.18 -0.10 0.81 1.57 -0.64 0.11 116.57 119.97 3i9s h LYS 157 Ca 0.12 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3i9s h LYS 157 Cb 0.32 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 3i9s h LYS 157 CO 0.00 0.79 0.03 1.25 -0.57 0.00 0.00 179.45 180.96 3i9s h LEU 158 N 1.22 0.14 -0.79 2.94 5.85 -1.36 -1.74 115.31 121.58 3i9s h LEU 158 Ca 0.33 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3i9s h LEU 158 Cb -0.13 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3i9s h LEU 158 CO -0.07 0.30 0.48 0.00 -0.34 0.00 0.00 178.44 178.81 3i9s h ALA 159 N 0.85 1.06 0.00 1.25 0.00 -0.84 -2.22 119.26 119.36 3i9s h ALA 159 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i9s h ALA 159 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i9s h ALA 159 CO -0.00 0.22 -0.20 -0.22 0.00 0.00 0.00 179.25 179.06 3i9s h LYS 160 N 0.89 0.00 0.00 0.00 3.64 -0.55 -2.36 116.57 118.19 3i9s h LYS 160 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3i9s h LYS 160 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3i9s h LYS 160 CO -0.16 0.20 0.00 -1.13 -2.27 0.00 0.00 179.45 176.09 3i9s n SER 161 N -3.45 0.00 0.00 4.20 3.41 -0.68 -5.09 113.62 112.01 3i9s n SER 161 Ca -0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3i9s n SER 161 Cb 0.37 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3i9s n SER 161 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77