#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot3 n LYS 13 N 0.00 2.64 -2.13 -2.82 5.02 -1.26 -4.93 118.16 114.68 1ot3 n LYS 13 Ca 0.00 0.94 -0.41 0.00 -2.02 0.00 0.00 58.31 56.82 1ot3 n LYS 13 Cb 0.00 -2.73 -0.02 0.00 -0.02 0.00 0.00 35.03 32.26 1ot3 n LYS 13 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1ot3 s TYR 14 N 0.34 3.11 -0.22 2.13 5.04 -1.24 -2.59 117.35 123.93 1ot3 s TYR 14 Ca 0.68 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 1ot3 s TYR 14 Cb -0.52 -3.68 0.00 0.00 0.35 0.00 0.00 41.96 38.11 1ot3 s TYR 14 CO 0.44 -2.03 0.00 0.00 -1.34 0.00 0.00 175.55 172.62 1ot3 n ALA 15 N 1.69 -0.03 -2.11 3.97 0.00 -1.26 0.53 120.51 123.29 1ot3 n ALA 15 Ca 0.03 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.09 1ot3 n ALA 15 Cb 0.42 -0.69 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1ot3 n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ot3 s GLU 16 N -1.24 4.28 -0.00 0.00 2.56 -1.07 -2.74 118.70 120.49 1ot3 s GLU 16 Ca 0.00 2.13 0.00 0.00 0.00 0.00 0.00 54.97 57.10 1ot3 s GLU 16 Cb 0.00 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.81 1ot3 s GLU 16 CO 0.00 -0.52 0.00 0.41 -0.56 0.00 0.00 175.26 174.59 1ot3 n GLY 17 N 3.61 0.49 0.23 -1.50 0.00 -1.26 -4.88 105.19 101.88 1ot3 n GLY 17 Ca 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1ot3 n GLY 17 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ot3 n THR 18 N -2.99 0.04 -4.41 2.61 -2.24 -1.11 -5.00 114.28 101.18 1ot3 n THR 18 Ca -0.00 -0.52 -0.34 0.00 -2.27 0.00 0.00 64.05 60.92 1ot3 n THR 18 Cb 0.01 1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 69.22 1ot3 n THR 18 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1ot3 s GLN 19 N -0.50 3.26 0.56 -0.78 -1.52 -1.26 -4.58 119.66 114.85 1ot3 s GLN 19 Ca 0.07 -0.47 -0.07 0.00 -1.95 0.00 0.00 55.36 52.93 1ot3 s GLN 19 Cb 0.05 -2.83 0.12 0.00 -0.22 0.00 0.00 33.01 30.14 1ot3 s GLN 19 CO 0.07 0.50 0.76 -0.35 -0.25 0.00 0.00 175.29 176.02 1ot3 n PRO 20 N 2.77 -0.54 -1.68 2.91 -0.04 -1.26 -4.96 135.00 132.19 1ot3 n PRO 20 Ca -0.18 -1.37 -0.45 0.00 -0.04 0.00 0.00 63.50 61.47 1ot3 n PRO 20 Cb 0.53 -0.72 -0.04 0.00 -0.04 0.00 0.00 33.50 33.23 1ot3 n PRO 20 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ot3 n PHE 21 N -2.90 2.44 -4.99 0.54 7.35 -1.24 -4.81 117.46 113.85 1ot3 n PHE 21 Ca 0.10 0.08 -0.32 0.00 -0.76 0.00 0.00 57.45 56.56 1ot3 n PHE 21 Cb 0.36 -2.63 -0.17 0.00 0.35 0.00 0.00 39.48 37.39 1ot3 n PHE 21 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1ot3 s THR 22 N 1.92 2.00 -0.16 -2.13 2.01 -1.26 -1.39 115.64 116.63 1ot3 s THR 22 Ca 0.81 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.81 1ot3 s THR 22 Cb -0.61 -1.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.13 1ot3 s THR 22 CO 0.39 0.54 -0.03 -0.69 -0.69 0.00 0.00 174.62 174.14 1ot3 s VAL 23 N 0.53 3.90 -0.18 3.82 1.01 0.16 -1.29 120.40 128.34 1ot3 s VAL 23 Ca -0.14 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1ot3 s VAL 23 Cb -0.17 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 1ot3 s VAL 23 CO 0.05 0.49 -0.03 -0.76 0.00 0.00 0.00 175.10 174.84 1ot3 s LEU 24 N 0.41 3.13 -0.21 3.92 1.43 -0.21 -0.41 118.68 126.73 1ot3 s LEU 24 Ca -0.04 -0.23 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 1ot3 s LEU 24 Cb -0.14 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1ot3 s LEU 24 CO 0.03 0.09 0.36 -0.63 0.23 0.00 0.00 176.35 176.43 1ot3 s ILE 25 N 0.83 5.22 0.09 -0.59 -1.09 0.74 -0.22 121.20 126.18 1ot3 s ILE 25 Ca -0.01 0.62 0.06 0.00 -2.23 0.00 0.00 60.65 59.09 1ot3 s ILE 25 Cb -0.14 -3.69 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1ot3 s ILE 25 CO 0.02 0.25 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.23 1ot3 s GLU 26 N 1.35 0.92 0.00 2.79 0.41 -0.03 -0.42 118.70 123.72 1ot3 s GLU 26 Ca 0.17 -1.09 0.00 0.00 -0.41 0.00 0.00 54.97 53.64 1ot3 s GLU 26 Cb -0.15 -0.89 0.00 0.00 -1.78 0.00 0.00 34.13 31.31 1ot3 s GLU 26 CO 0.08 0.19 0.00 0.41 -0.49 0.00 0.00 175.26 175.44 1ot3 n GLY 27 N 0.94 0.78 3.82 -1.39 0.00 -1.26 -0.94 105.19 107.14 1ot3 n GLY 27 Ca -0.19 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1ot3 n GLY 27 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ot3 s ASN 28 N 0.00 4.15 0.22 1.61 3.84 -1.26 -4.92 114.94 118.58 1ot3 s ASN 28 Ca 0.00 1.05 -0.31 0.00 0.21 0.00 0.00 52.86 53.81 1ot3 s ASN 28 Cb 0.00 -1.68 -0.11 0.00 -0.55 0.00 0.00 41.25 38.91 1ot3 s ASN 28 CO 0.00 -2.16 1.56 -0.63 -2.79 0.00 0.00 177.10 173.08 1ot3 s ILE 29 N -3.30 2.43 -0.29 -5.21 1.01 -1.26 -1.86 121.20 112.72 1ot3 s ILE 29 Ca 0.62 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1ot3 s ILE 29 Cb -0.14 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.12 1ot3 s ILE 29 CO 0.53 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1ot3 n GLY 30 N 3.02 0.34 0.73 6.18 0.00 -1.26 -4.72 105.19 109.47 1ot3 n GLY 30 Ca 0.11 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.45 1ot3 n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ot3 n SER 31 N 1.41 2.23 0.00 1.61 3.41 -0.78 -4.33 113.62 117.17 1ot3 n SER 31 Ca -0.04 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 1ot3 n SER 31 Cb 0.42 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1ot3 n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ot3 n GLY 32 N 1.26 0.70 0.27 5.00 0.00 -1.26 -4.92 105.19 106.24 1ot3 n GLY 32 Ca 0.17 -0.64 -0.06 0.00 0.00 0.00 0.00 46.02 45.49 1ot3 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ot3 h LYS 33 N 0.00 0.76 -0.25 1.61 1.57 -1.92 -1.46 116.57 116.88 1ot3 h LYS 33 Ca 0.00 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.38 1ot3 h LYS 33 Cb 0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ot3 h LYS 33 CO 0.00 0.86 -0.39 1.15 -0.57 0.00 0.00 179.45 180.50 1ot3 h THR 34 N 0.68 1.30 -0.11 -0.16 2.02 -1.99 -1.64 112.91 113.00 1ot3 h THR 34 Ca 0.11 -1.55 -0.05 0.00 0.77 0.00 0.00 66.41 65.68 1ot3 h THR 34 Cb 0.62 1.53 -0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1ot3 h THR 34 CO 0.04 0.49 -0.14 0.74 0.37 0.00 0.00 175.52 177.03 1ot3 h THR 35 N 0.49 1.36 -0.07 3.16 2.02 -1.96 -2.96 112.91 114.94 1ot3 h THR 35 Ca 0.04 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 65.93 1ot3 h THR 35 Cb 0.90 1.98 -0.04 0.00 -1.74 0.00 0.00 68.15 69.25 1ot3 h THR 35 CO 0.08 0.38 -0.14 0.22 0.37 0.00 0.00 175.52 176.43 1ot3 h TYR 36 N -0.11 -0.35 0.00 3.16 3.20 -1.21 -2.30 116.97 119.36 1ot3 h TYR 36 Ca 0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ot3 h TYR 36 Cb 0.67 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.11 1ot3 h TYR 36 CO 0.09 -0.20 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.32 1ot3 h LEU 37 N -0.19 0.00 -0.89 2.82 4.07 -1.32 -2.74 115.31 117.05 1ot3 h LEU 37 Ca 0.07 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.02 1ot3 h LEU 37 Cb 0.30 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.99 1ot3 h LEU 37 CO -0.19 0.01 0.50 0.78 -1.08 0.00 0.00 178.44 178.47 1ot3 h ASN 38 N 0.00 1.10 0.00 -0.43 2.35 -1.24 -1.82 115.58 115.55 1ot3 h ASN 38 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1ot3 h ASN 38 Cb 0.07 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.16 1ot3 h ASN 38 CO 0.00 0.88 0.03 1.41 -1.65 0.00 0.00 177.43 178.10 1ot3 n HIS 39 N -4.36 0.00 1.01 1.19 8.25 -1.03 -0.51 115.22 119.77 1ot3 n HIS 39 Ca 0.09 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.66 1ot3 n HIS 39 Cb 0.09 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 30.72 1ot3 n HIS 39 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ot3 n PHE 40 N -1.47 0.00 -0.28 4.41 3.01 -0.68 -4.43 117.46 118.01 1ot3 n PHE 40 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.54 1ot3 n PHE 40 Cb 0.03 -0.06 0.31 0.00 -0.01 0.00 0.00 39.48 39.75 1ot3 n PHE 40 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1ot3 h GLU 41 N 0.23 0.83 -0.22 -1.08 4.81 -0.89 -1.66 114.58 116.61 1ot3 h GLU 41 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1ot3 h GLU 41 Cb 0.52 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1ot3 h GLU 41 CO 0.00 0.55 0.00 0.36 -0.73 0.00 0.00 179.01 179.19 1ot3 n LYS 42 N -4.54 0.68 0.00 1.92 2.85 -1.26 -2.47 118.16 115.34 1ot3 n LYS 42 Ca 0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.42 1ot3 n LYS 42 Cb 0.34 -1.11 0.00 0.00 -0.65 0.00 0.00 35.03 33.61 1ot3 n LYS 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ot3 n TYR 43 N -0.29 0.00 0.23 5.58 0.53 -0.62 -4.74 117.16 117.84 1ot3 n TYR 43 Ca 0.00 -0.08 0.07 0.00 -1.02 0.00 0.00 57.90 56.87 1ot3 n TYR 43 Cb 0.05 -0.01 0.40 0.00 -1.03 0.00 0.00 39.34 38.75 1ot3 n TYR 43 CO 0.00 0.00 0.00 0.87 -1.02 0.00 0.00 176.86 176.71 1ot3 h LYS 44 N 0.00 0.00 -0.54 -0.72 1.57 -1.55 0.21 116.57 115.54 1ot3 h LYS 44 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1ot3 h LYS 44 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1ot3 h LYS 44 CO 0.00 0.00 0.14 -0.91 -0.57 0.00 0.00 179.45 178.11 1ot3 h ASN 45 N 0.00 0.76 0.00 0.86 2.35 -1.85 -3.20 115.58 114.49 1ot3 h ASN 45 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1ot3 h ASN 45 Cb 0.89 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.07 1ot3 h ASN 45 CO 0.00 0.73 0.00 0.47 -1.65 0.00 0.00 177.43 176.98 1ot3 n ASP 46 N -4.29 1.48 -4.00 5.81 8.00 0.67 -5.03 116.55 119.19 1ot3 n ASP 46 Ca 0.04 -1.55 -0.20 0.00 0.71 0.00 0.00 54.79 53.79 1ot3 n ASP 46 Cb 0.21 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.16 1ot3 n ASP 46 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ot3 s ILE 47 N -0.55 0.73 -0.63 0.53 1.01 -0.74 -4.05 121.20 117.50 1ot3 s ILE 47 Ca 0.00 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 1ot3 s ILE 47 Cb 0.00 -0.65 0.06 0.00 0.01 0.00 0.00 42.46 41.88 1ot3 s ILE 47 CO 0.00 0.23 0.94 0.00 0.00 0.00 0.00 174.94 176.11 1ot3 s LEU 49 N 3.97 6.16 -0.44 0.00 2.96 -1.26 -1.20 118.68 128.86 1ot3 s LEU 49 Ca 0.24 -1.89 -0.13 0.00 -0.22 0.00 0.00 54.13 52.12 1ot3 s LEU 49 Cb -0.16 -2.22 0.07 0.00 0.50 0.00 0.00 46.19 44.37 1ot3 s LEU 49 CO 0.12 -0.85 0.33 -0.76 -1.32 0.00 0.00 176.35 173.88 1ot3 s LEU 50 N 1.53 5.38 0.65 -0.68 1.43 -0.23 -5.01 118.68 121.75 1ot3 s LEU 50 Ca 0.07 -1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 51.73 1ot3 s LEU 50 Cb -0.26 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1ot3 s LEU 50 CO 0.01 -0.58 1.05 0.42 0.23 0.00 0.00 176.35 177.48 1ot3 s THR 51 N 1.58 4.25 0.07 5.49 -4.23 -1.26 -1.88 115.64 119.66 1ot3 s THR 51 Ca 0.04 0.79 -0.32 0.00 -1.18 0.00 0.00 61.69 61.01 1ot3 s THR 51 Cb -0.23 -3.56 -0.12 0.00 1.34 0.00 0.00 72.50 69.93 1ot3 s THR 51 CO 0.06 -0.90 1.80 1.21 -0.54 0.00 0.00 174.62 176.25 1ot3 n GLU 52 N -2.79 2.51 -0.03 3.99 2.13 -1.25 -4.78 120.64 120.42 1ot3 n GLU 52 Ca 0.07 0.91 -0.00 0.00 0.66 0.00 0.00 57.16 58.80 1ot3 n GLU 52 Cb 0.54 -2.77 -0.00 0.00 0.27 0.00 0.00 31.44 29.47 1ot3 n GLU 52 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 1ot3 n PRO 53 N 5.51 0.05 0.03 5.31 -0.02 -1.26 -4.43 135.00 140.19 1ot3 n PRO 53 Ca 0.19 -0.02 0.01 0.00 -2.02 0.00 0.00 63.50 61.66 1ot3 n PRO 53 Cb 0.34 -1.50 0.33 0.00 -0.02 0.00 0.00 33.50 32.65 1ot3 n PRO 53 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ot3 h VAL 54 N 2.45 1.18 -0.94 -1.45 2.07 -2.00 -2.49 116.25 115.08 1ot3 h VAL 54 Ca 0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1ot3 h VAL 54 Cb 0.04 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.74 1ot3 h VAL 54 CO 0.24 0.25 0.60 -0.33 0.02 0.00 0.00 177.57 178.35 1ot3 h GLU 55 N 0.44 1.25 -0.21 1.57 5.08 -1.99 -1.65 114.58 119.07 1ot3 h GLU 55 Ca 0.10 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1ot3 h GLU 55 Cb 0.31 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ot3 h GLU 55 CO 0.01 0.85 -0.44 0.87 -1.00 0.00 0.00 179.01 179.30 1ot3 h LYS 56 N 1.28 0.53 0.00 2.33 1.57 -1.75 -2.49 116.57 118.05 1ot3 h LYS 56 Ca 0.34 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1ot3 h LYS 56 Cb -0.11 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1ot3 h LYS 56 CO -0.07 0.87 -0.13 -1.49 -0.57 0.00 0.00 179.45 178.06 1ot3 h TRP 57 N 0.43 0.00 0.00 -1.35 6.55 -1.04 -2.43 115.95 118.12 1ot3 h TRP 57 Ca 0.03 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.78 1ot3 h TRP 57 Cb 0.95 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.23 1ot3 h TRP 57 CO 0.04 0.13 -0.81 0.00 -1.05 0.00 0.00 178.44 176.76 1ot3 h ARG 58 N 0.00 0.00 -2.61 0.49 3.08 -1.21 -1.37 114.38 112.75 1ot3 h ARG 58 Ca -0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1ot3 h ARG 58 Cb 0.68 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.34 1ot3 h ARG 58 CO 0.02 0.28 -0.85 1.21 -1.07 0.00 0.00 179.97 179.55 1ot3 s ASN 59 N -6.02 2.58 -0.80 7.04 2.47 -0.92 -3.43 114.94 115.86 1ot3 s ASN 59 Ca 0.01 -2.94 -0.13 0.00 0.42 0.00 0.00 52.86 50.22 1ot3 s ASN 59 Cb 0.08 -0.70 0.21 0.00 -1.45 0.00 0.00 41.25 39.39 1ot3 s ASN 59 CO 0.76 -0.20 0.72 -0.69 -3.72 0.00 0.00 177.10 173.98 1ot3 s VAL 60 N 0.08 5.38 -1.27 -5.21 1.01 0.21 -4.45 120.40 116.15 1ot3 s VAL 60 Ca 0.26 -2.50 -0.04 0.00 0.00 0.00 0.00 61.98 59.70 1ot3 s VAL 60 Cb -0.07 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 31.99 1ot3 s VAL 60 CO -0.12 -1.01 0.25 0.59 0.00 0.00 0.00 175.10 174.81 1ot3 n ASN 61 N 3.95 -4.38 0.00 3.32 3.02 -1.26 -1.25 115.26 118.66 1ot3 n ASN 61 Ca 0.12 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1ot3 n ASN 61 Cb 0.46 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 1ot3 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ot3 n GLY 62 N -1.05 1.92 3.84 7.41 0.00 -1.26 -5.09 105.19 110.96 1ot3 n GLY 62 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1ot3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ot3 s VAL 63 N -2.01 4.80 -0.64 1.61 1.01 -0.38 -4.93 120.40 119.85 1ot3 s VAL 63 Ca 0.00 0.91 -0.06 0.00 0.00 0.00 0.00 61.98 62.83 1ot3 s VAL 63 Cb 0.00 -3.76 0.17 0.00 0.00 0.00 0.00 36.38 32.79 1ot3 s VAL 63 CO 0.00 0.23 0.49 0.21 0.00 0.00 0.00 175.10 176.03 1ot3 s ASN 64 N -1.72 5.65 0.20 3.32 3.84 -1.22 0.67 114.94 125.67 1ot3 s ASN 64 Ca 0.39 -2.66 -0.09 0.00 0.21 0.00 0.00 52.86 50.71 1ot3 s ASN 64 Cb -0.15 -1.96 0.12 0.00 -0.55 0.00 0.00 41.25 38.71 1ot3 s ASN 64 CO 0.19 -0.47 1.74 -0.07 -2.79 0.00 0.00 177.10 175.71 1ot3 h LEU 65 N 7.44 1.01 -0.54 3.21 3.38 -1.50 -2.06 115.31 126.25 1ot3 h LEU 65 Ca -0.02 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.81 1ot3 h LEU 65 Cb 0.99 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1ot3 h LEU 65 CO 0.74 0.93 0.27 0.25 0.09 0.00 0.00 178.44 180.72 1ot3 h LEU 66 N 1.03 0.37 -0.22 1.67 5.85 -1.84 0.31 115.31 122.47 1ot3 h LEU 66 Ca 0.23 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1ot3 h LEU 66 Cb 0.26 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1ot3 h LEU 66 CO -0.01 0.25 0.04 -0.08 -0.34 0.00 0.00 178.44 178.29 1ot3 h GLU 67 N 0.51 0.36 -0.92 1.25 4.81 -1.80 -2.41 114.58 116.38 1ot3 h GLU 67 Ca 0.25 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 1ot3 h GLU 67 Cb 0.18 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1ot3 h GLU 67 CO -0.18 0.50 0.60 -0.07 -0.73 0.00 0.00 179.01 179.13 1ot3 h LEU 68 N 0.17 1.03 -0.61 1.64 3.38 -0.96 -1.57 115.31 118.39 1ot3 h LEU 68 Ca 0.07 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1ot3 h LEU 68 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1ot3 h LEU 68 CO 0.00 0.74 0.27 -0.03 0.09 0.00 0.00 178.44 179.51 1ot3 h MET 69 N 1.21 0.89 0.00 1.13 4.05 -0.25 0.75 114.93 122.72 1ot3 h MET 69 Ca 0.34 -0.15 -0.11 0.00 -0.28 0.00 0.00 59.70 59.51 1ot3 h MET 69 Cb -0.10 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.53 1ot3 h MET 69 CO -0.09 0.74 -0.53 1.88 0.23 0.00 0.00 176.91 179.14 1ot3 h TYR 70 N 0.84 0.00 0.00 1.39 -1.99 -1.10 -1.81 116.97 114.30 1ot3 h TYR 70 Ca 0.21 0.00 -0.22 0.00 2.00 0.00 0.00 58.73 60.72 1ot3 h TYR 70 Cb 0.16 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.85 1ot3 h TYR 70 CO 0.01 0.53 -1.22 0.87 -0.00 0.00 0.00 178.16 178.35 1ot3 h LYS 71 N 0.00 0.00 -1.71 4.88 1.57 -1.03 -3.41 116.57 116.87 1ot3 h LYS 71 Ca -0.01 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.27 1ot3 h LYS 71 Cb 1.05 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.01 1ot3 h LYS 71 CO 0.07 0.67 -1.00 -3.47 -0.57 0.00 0.00 179.45 175.15 1ot3 n ASP 72 N -3.17 -0.40 -0.08 0.86 2.03 0.23 -5.01 116.55 111.01 1ot3 n ASP 72 Ca -0.06 -2.77 -0.10 0.00 0.52 0.00 0.00 54.79 52.38 1ot3 n ASP 72 Cb 0.94 -0.22 -0.04 0.00 -0.72 0.00 0.00 41.12 41.08 1ot3 n ASP 72 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ot3 h PRO 73 N 4.13 -0.34 -1.25 -0.67 0.11 -1.53 0.01 132.00 132.47 1ot3 h PRO 73 Ca 0.05 0.02 0.37 0.00 0.11 0.00 0.00 66.00 66.55 1ot3 h PRO 73 Cb 0.91 0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.00 1ot3 h PRO 73 CO 0.43 -0.22 0.83 0.87 -0.21 0.00 0.00 178.00 179.69 1ot3 h LYS 74 N -0.35 0.17 0.00 1.05 1.79 -1.88 -1.50 116.57 115.85 1ot3 h LYS 74 Ca 0.13 -0.01 -0.30 0.00 -2.18 0.00 0.00 60.65 58.29 1ot3 h LYS 74 Cb 0.57 -0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.13 1ot3 h LYS 74 CO -0.50 0.11 -2.19 1.17 -1.08 0.00 0.00 179.45 176.96 1ot3 n LYS 75 N -4.53 1.05 -0.00 3.15 4.81 -0.73 -4.73 118.16 117.16 1ot3 n LYS 75 Ca 0.32 -0.02 0.08 0.00 -0.87 0.00 0.00 58.31 57.81 1ot3 n LYS 75 Cb 1.25 -1.46 -0.11 0.00 0.02 0.00 0.00 35.03 34.73 1ot3 n LYS 75 CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1ot3 n TRP 76 N -2.62 0.00 -0.26 5.64 7.02 -0.09 -4.51 117.44 122.62 1ot3 n TRP 76 Ca -0.27 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.27 1ot3 n TRP 76 Cb 1.03 -0.24 0.19 0.00 -2.42 0.00 0.00 31.31 29.87 1ot3 n TRP 76 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1ot3 h ALA 77 N 1.64 1.08 0.67 6.99 0.00 -1.48 -0.72 119.26 127.43 1ot3 h ALA 77 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1ot3 h ALA 77 Cb 0.59 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1ot3 h ALA 77 CO 0.00 -0.23 -0.42 1.98 0.00 0.00 0.00 179.25 180.58 1ot3 h MET 78 N 0.43 -0.99 -0.13 0.00 1.85 -1.81 -0.10 114.93 114.19 1ot3 h MET 78 Ca 0.43 0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 59.53 1ot3 h MET 78 Cb 0.66 0.22 -0.01 0.00 0.43 0.00 0.00 31.60 32.91 1ot3 h MET 78 CO -0.42 -0.66 -0.14 -1.00 -0.40 0.00 0.00 176.91 174.29 1ot3 h PRO 79 N -1.02 0.20 -0.04 0.39 0.13 -1.78 -2.52 132.00 127.36 1ot3 h PRO 79 Ca -0.09 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 1ot3 h PRO 79 Cb 0.82 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1ot3 h PRO 79 CO 0.08 0.35 -0.00 0.35 -0.23 0.00 0.00 178.00 178.55 1ot3 h PHE 80 N 0.19 0.08 0.00 1.56 3.57 -0.99 -2.40 116.94 118.95 1ot3 h PHE 80 Ca 0.04 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1ot3 h PHE 80 Cb 0.38 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1ot3 h PHE 80 CO 0.00 0.39 -0.19 1.96 -2.23 0.00 0.00 178.31 178.25 1ot3 h GLN 81 N -0.26 0.00 0.05 1.11 1.08 -0.98 0.80 115.11 116.91 1ot3 h GLN 81 Ca 0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1ot3 h GLN 81 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1ot3 h GLN 81 CO 0.00 0.19 -0.02 1.03 -0.95 0.00 0.00 178.83 179.08 1ot3 h SER 82 N 0.00 -0.05 -0.48 1.46 0.87 -1.35 -0.42 113.55 113.57 1ot3 h SER 82 Ca -0.00 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.20 1ot3 h SER 82 Cb 0.36 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1ot3 h SER 82 CO 0.02 0.26 0.05 0.22 -0.53 0.00 0.00 176.83 176.86 1ot3 h TYR 83 N -0.38 0.93 -0.27 2.24 3.20 -0.95 -2.13 116.97 119.60 1ot3 h TYR 83 Ca -0.01 -0.12 0.03 0.00 3.14 0.00 0.00 58.73 61.77 1ot3 h TYR 83 Cb 0.34 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 1ot3 h TYR 83 CO 0.03 0.82 0.10 0.28 -1.64 0.00 0.00 178.16 177.74 1ot3 h VAL 84 N 0.82 0.93 -0.51 1.81 2.07 -0.65 -1.17 116.25 119.55 1ot3 h VAL 84 Ca 0.16 -0.08 0.10 0.00 0.82 0.00 0.00 66.70 67.71 1ot3 h VAL 84 Cb 0.42 0.69 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 1ot3 h VAL 84 CO 0.01 0.04 0.01 0.74 0.02 0.00 0.00 177.57 178.40 1ot3 h THR 85 N 0.22 0.61 0.08 2.57 2.02 -0.48 -1.38 112.91 116.55 1ot3 h THR 85 Ca 0.12 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.26 1ot3 h THR 85 Cb 0.08 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1ot3 h THR 85 CO -0.12 0.02 -0.10 0.25 0.37 0.00 0.00 175.52 175.95 1ot3 h LEU 86 N 0.13 -0.26 -1.26 2.58 5.85 -0.77 0.03 115.31 121.61 1ot3 h LEU 86 Ca 0.26 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 1ot3 h LEU 86 Cb 0.39 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ot3 h LEU 86 CO -0.42 -0.15 -0.19 0.71 -0.34 0.00 0.00 178.44 178.05 1ot3 h THR 87 N -0.21 1.21 -0.14 1.05 1.35 -0.95 0.49 112.91 115.71 1ot3 h THR 87 Ca 0.01 -0.97 -0.18 0.00 -0.55 0.00 0.00 66.41 64.72 1ot3 h THR 87 Cb 0.21 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.94 1ot3 h THR 87 CO -0.04 0.30 -0.65 -0.03 -0.25 0.00 0.00 175.52 174.85 1ot3 h MET 88 N 0.25 0.53 -0.07 4.72 1.85 -1.08 -1.54 114.93 119.59 1ot3 h MET 88 Ca 0.04 -0.38 -0.11 0.00 -0.61 0.00 0.00 59.70 58.64 1ot3 h MET 88 Cb 0.48 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.56 1ot3 h MET 88 CO 0.03 1.00 -0.47 1.25 -0.40 0.00 0.00 176.91 178.32 1ot3 h LEU 89 N 0.39 0.17 -0.34 3.39 7.12 0.01 -1.26 115.31 124.78 1ot3 h LEU 89 Ca -0.01 -0.08 -0.15 0.00 0.13 0.00 0.00 57.88 57.77 1ot3 h LEU 89 Cb 1.21 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 41.29 1ot3 h LEU 89 CO 0.12 0.62 -0.36 1.56 -0.13 0.00 0.00 178.44 180.25 1ot3 h GLN 90 N 0.13 0.85 -0.35 1.25 4.20 -0.58 -2.63 115.11 117.98 1ot3 h GLN 90 Ca 0.01 -0.46 -0.08 0.00 0.06 0.00 0.00 58.65 58.18 1ot3 h GLN 90 Cb 0.89 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 1ot3 h GLN 90 CO 0.07 1.10 -0.11 0.77 -0.67 0.00 0.00 178.83 179.99 1ot3 h SER 91 N 0.64 0.70 -0.56 1.46 0.02 -0.98 -1.84 113.55 112.99 1ot3 h SER 91 Ca 0.05 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1ot3 h SER 91 Cb 0.95 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.27 1ot3 h SER 91 CO 0.09 0.92 0.37 0.45 -1.14 0.00 0.00 176.83 177.51 1ot3 h HIS 92 N 0.48 0.72 -0.43 3.45 3.86 -1.20 -2.88 115.15 119.15 1ot3 h HIS 92 Ca 0.09 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1ot3 h HIS 92 Cb 0.62 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1ot3 h HIS 92 CO 0.05 0.46 0.00 0.25 0.86 0.00 0.00 177.93 179.56 1ot3 n THR 93 N -4.44 0.65 -2.07 2.45 -2.24 -1.00 -4.70 114.28 102.93 1ot3 n THR 93 Ca 0.05 -0.83 -0.41 0.00 -2.27 0.00 0.00 64.05 60.60 1ot3 n THR 93 Cb 0.05 0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 69.09 1ot3 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ot3 s ALA 94 N -1.25 3.50 0.36 6.98 0.00 -0.70 -4.97 121.76 125.68 1ot3 s ALA 94 Ca 0.36 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.36 1ot3 s ALA 94 Cb 0.21 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1ot3 s ALA 94 CO 0.28 -0.71 1.15 -2.14 0.00 0.00 0.00 175.76 174.35 1ot3 s PRO 95 N -1.85 4.27 -0.19 0.00 0.02 -1.26 -4.97 135.00 131.02 1ot3 s PRO 95 Ca 0.50 1.84 -0.25 0.00 0.02 0.00 0.00 61.00 63.11 1ot3 s PRO 95 Cb -0.41 -2.86 0.07 0.00 0.02 0.00 0.00 34.50 31.32 1ot3 s PRO 95 CO 0.54 -0.13 0.67 -0.08 -0.33 0.00 0.00 177.00 177.67 1ot3 s THR 96 N -1.33 0.00 -1.86 0.99 -1.32 -1.26 -5.03 115.64 105.82 1ot3 s THR 96 Ca 0.52 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 61.23 1ot3 s THR 96 Cb -0.31 -0.95 0.09 0.00 -1.51 0.00 0.00 72.50 69.82 1ot3 s THR 96 CO 0.40 -0.01 1.28 0.59 -2.21 0.00 0.00 174.62 174.67 1ot3 n ASN 97 N 2.17 1.56 -4.77 8.08 3.02 -1.26 -4.87 115.26 119.18 1ot3 n ASN 97 Ca -0.16 -1.22 -0.31 0.00 -0.03 0.00 0.00 54.58 52.86 1ot3 n ASN 97 Cb 0.56 0.36 0.09 0.00 -0.61 0.00 0.00 39.78 40.18 1ot3 n ASN 97 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ot3 s LYS 98 N -2.52 2.31 0.00 3.52 -0.14 -1.26 -4.97 119.74 116.68 1ot3 s LYS 98 Ca 0.20 1.14 0.25 0.00 -1.36 0.00 0.00 55.97 56.21 1ot3 s LYS 98 Cb 0.18 -1.90 0.52 0.00 -1.68 0.00 0.00 37.83 34.95 1ot3 s LYS 98 CO 0.57 -1.60 1.43 1.63 -0.76 0.00 0.00 175.35 176.62 1ot3 n LYS 99 N -3.49 1.69 -3.83 1.68 4.76 -1.26 -4.73 118.16 112.99 1ot3 n LYS 99 Ca 0.09 -1.23 -0.12 0.00 -2.87 0.00 0.00 58.31 54.18 1ot3 n LYS 99 Cb 0.53 -1.47 -0.11 0.00 -1.84 0.00 0.00 35.03 32.14 1ot3 n LYS 99 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ot3 s LEU 100 N -2.16 1.35 -0.05 -0.35 2.96 -1.26 -3.72 118.68 115.45 1ot3 s LEU 100 Ca 0.29 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1ot3 s LEU 100 Cb 0.20 0.70 0.02 0.00 0.50 0.00 0.00 46.19 47.61 1ot3 s LEU 100 CO 0.39 -0.20 -0.02 -0.75 -1.32 0.00 0.00 176.35 174.46 1ot3 s LYS 101 N -0.52 0.62 -0.19 1.98 2.20 -0.48 -1.42 119.74 121.93 1ot3 s LYS 101 Ca -0.06 0.00 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1ot3 s LYS 101 Cb -0.04 -0.77 0.01 0.00 -1.51 0.00 0.00 37.83 35.52 1ot3 s LYS 101 CO 0.01 -0.15 -0.15 0.42 -0.36 0.00 0.00 175.35 175.12 1ot3 s ILE 102 N 1.22 2.51 -0.06 5.43 1.01 -0.34 0.35 121.20 131.32 1ot3 s ILE 102 Ca -0.07 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.84 1ot3 s ILE 102 Cb -0.14 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1ot3 s ILE 102 CO -0.02 0.50 -0.18 -0.04 0.00 0.00 0.00 174.94 175.20 1ot3 s MET 103 N 1.34 2.55 -0.38 2.79 -1.94 0.45 -1.06 119.30 123.04 1ot3 s MET 103 Ca 0.05 -0.77 -0.20 0.00 -1.71 0.00 0.00 55.69 53.06 1ot3 s MET 103 Cb -0.13 -2.31 0.01 0.00 2.01 0.00 0.00 34.83 34.40 1ot3 s MET 103 CO -0.09 0.52 0.60 -2.00 -0.01 0.00 0.00 175.02 174.03 1ot3 s GLU 104 N -0.47 3.50 0.23 2.03 2.12 -0.79 -0.19 118.70 125.14 1ot3 s GLU 104 Ca 0.06 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.21 1ot3 s GLU 104 Cb -0.12 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.41 1ot3 s GLU 104 CO 0.01 -0.81 0.00 0.54 -0.54 0.00 0.00 175.26 174.46 1ot3 n ARG 105 N 6.02 -1.63 -1.27 4.30 5.12 0.44 -3.96 116.66 125.68 1ot3 n ARG 105 Ca -0.03 1.17 -0.01 0.00 -1.93 0.00 0.00 57.85 57.05 1ot3 n ARG 105 Cb 0.48 -1.96 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 1ot3 n ARG 105 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1ot3 n SER 106 N -3.18 -0.18 0.25 0.55 3.41 -1.26 -4.78 113.62 108.43 1ot3 n SER 106 Ca -0.01 -1.13 0.15 0.00 -0.26 0.00 0.00 58.87 57.62 1ot3 n SER 106 Cb 0.36 0.30 0.46 0.00 -0.26 0.00 0.00 64.21 65.07 1ot3 n SER 106 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1ot3 h ILE 107 N 1.08 0.02 0.05 -1.33 2.10 -1.94 -2.92 117.51 114.57 1ot3 h ILE 107 Ca -0.03 -0.74 -0.14 0.00 1.08 0.00 0.00 64.86 65.04 1ot3 h ILE 107 Cb 0.10 1.73 0.01 0.00 -1.09 0.00 0.00 36.82 37.57 1ot3 h ILE 107 CO 0.03 0.01 -0.57 -0.26 -1.08 0.00 0.00 178.15 176.28 1ot3 h PHE 108 N 0.00 0.49 -0.36 2.19 -1.00 -1.99 -2.86 116.94 113.40 1ot3 h PHE 108 Ca -0.00 -0.30 -0.01 0.00 2.81 0.00 0.00 57.97 60.47 1ot3 h PHE 108 Cb 0.73 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.22 1ot3 h PHE 108 CO 0.00 1.15 0.16 0.66 -1.61 0.00 0.00 178.31 178.67 1ot3 h SER 109 N -0.32 0.44 -0.59 2.17 4.64 -1.94 0.10 113.55 118.06 1ot3 h SER 109 Ca -0.08 -0.04 -0.08 0.00 -0.47 0.00 0.00 61.79 61.12 1ot3 h SER 109 Cb 1.34 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1ot3 h SER 109 CO 0.11 0.39 0.06 0.00 -0.87 0.00 0.00 176.83 176.53 1ot3 h ALA 110 N 1.68 0.78 0.10 5.18 0.00 -1.55 -2.51 119.26 122.95 1ot3 h ALA 110 Ca 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1ot3 h ALA 110 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ot3 h ALA 110 CO -0.02 0.56 -0.05 -0.09 0.00 0.00 0.00 179.25 179.66 1ot3 h ARG 111 N 0.89 -0.14 0.00 0.00 2.43 -1.13 0.20 114.38 116.64 1ot3 h ARG 111 Ca 0.17 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 1ot3 h ARG 111 Cb 0.47 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1ot3 h ARG 111 CO 0.02 0.16 -0.40 1.88 -1.51 0.00 0.00 179.97 180.12 1ot3 h TYR 112 N -0.99 0.00 0.00 2.20 0.99 -0.96 -3.09 116.97 115.12 1ot3 h TYR 112 Ca -0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1ot3 h TYR 112 Cb 0.36 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.09 1ot3 h TYR 112 CO 0.07 0.40 0.00 0.00 -0.00 0.00 0.00 178.16 178.63 1ot3 h PHE 114 N 0.00 -0.34 -0.37 0.00 -1.00 -1.49 -1.50 116.94 112.24 1ot3 h PHE 114 Ca 0.00 -0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.66 1ot3 h PHE 114 Cb 0.00 0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.68 1ot3 h PHE 114 CO 0.00 -0.20 -0.23 0.28 -1.61 0.00 0.00 178.31 176.55 1ot3 h VAL 115 N -0.31 1.28 -0.50 -0.55 2.07 -0.72 -2.41 116.25 115.11 1ot3 h VAL 115 Ca -0.01 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.19 1ot3 h VAL 115 Cb 0.28 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1ot3 h VAL 115 CO -0.01 0.46 0.22 -0.08 0.02 0.00 0.00 177.57 178.17 1ot3 h GLU 116 N 0.61 0.42 -0.16 1.57 4.57 -1.49 -1.61 114.58 118.49 1ot3 h GLU 116 Ca 0.08 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1ot3 h GLU 116 Cb 0.79 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1ot3 h GLU 116 CO 0.06 0.28 -0.22 -0.97 -1.18 0.00 0.00 179.01 176.98 1ot3 h ASN 117 N 0.43 0.28 1.13 1.04 -0.00 -1.20 -1.81 115.58 115.46 1ot3 h ASN 117 Ca 0.23 -0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 1ot3 h ASN 117 Cb 0.19 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.44 1ot3 h ASN 117 CO -0.20 0.51 0.00 0.23 -0.00 0.00 0.00 177.43 177.98 1ot3 n MET 118 N -4.18 0.21 0.03 6.67 2.81 -0.70 -1.97 117.12 120.00 1ot3 n MET 118 Ca -0.01 0.28 -0.22 0.00 -1.81 0.00 0.00 57.70 55.95 1ot3 n MET 118 Cb 0.35 -1.80 -0.14 0.00 -0.71 0.00 0.00 33.22 30.91 1ot3 n MET 118 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1ot3 h ARG 119 N 0.00 0.30 -0.68 0.03 2.43 -0.52 0.83 114.38 116.77 1ot3 h ARG 119 Ca 0.00 -0.51 -0.04 0.00 -0.81 0.00 0.00 59.98 58.62 1ot3 h ARG 119 Cb 0.57 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 1ot3 h ARG 119 CO 0.00 1.24 0.25 0.00 -1.51 0.00 0.00 179.97 179.96 1ot3 h ARG 120 N -0.20 1.01 -0.37 0.20 3.08 -1.25 -2.74 114.38 114.11 1ot3 h ARG 120 Ca -0.29 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1ot3 h ARG 120 Cb 1.84 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1ot3 h ARG 120 CO 0.10 0.84 0.00 0.27 -1.07 0.00 0.00 179.97 180.11 1ot3 n ASN 121 N -4.29 2.29 0.00 7.04 2.04 -0.83 -4.93 115.26 116.58 1ot3 n ASN 121 Ca 0.06 -1.93 0.00 0.00 -0.44 0.00 0.00 54.58 52.27 1ot3 n ASN 121 Cb 0.19 -0.24 0.00 0.00 -2.53 0.00 0.00 39.78 37.19 1ot3 n ASN 121 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ot3 n GLY 122 N 1.21 1.61 0.27 4.83 0.00 -1.03 -4.92 105.19 107.16 1ot3 n GLY 122 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1ot3 n GLY 122 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ot3 h SER 123 N 0.00 0.65 -3.53 1.61 0.02 -1.41 -3.38 113.55 107.50 1ot3 h SER 123 Ca 0.00 0.02 -0.64 0.00 -0.84 0.00 0.00 61.79 60.33 1ot3 h SER 123 Cb 0.00 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 62.22 1ot3 h SER 123 CO 0.00 0.43 -0.61 -0.76 -1.14 0.00 0.00 176.83 174.75 1ot3 s LEU 124 N -10.23 3.51 0.52 5.07 1.43 0.28 -4.17 118.68 115.09 1ot3 s LEU 124 Ca -0.13 -0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 1ot3 s LEU 124 Cb 0.16 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.39 1ot3 s LEU 124 CO 0.77 0.03 0.99 -1.61 0.23 0.00 0.00 176.35 176.77 1ot3 s GLU 125 N 1.20 3.88 0.32 1.70 2.02 -1.26 -4.52 118.70 122.05 1ot3 s GLU 125 Ca 0.04 1.00 0.09 0.00 0.02 0.00 0.00 54.97 56.11 1ot3 s GLU 125 Cb -0.14 -2.12 0.95 0.00 0.10 0.00 0.00 34.13 32.91 1ot3 s GLU 125 CO 0.03 -0.33 1.54 0.94 0.02 0.00 0.00 175.26 177.46 1ot3 n GLN 126 N -1.60 -0.07 0.14 1.61 -0.06 -1.26 0.35 117.38 116.50 1ot3 n GLN 126 Ca 0.07 1.42 0.01 0.00 -2.00 0.00 0.00 57.00 56.50 1ot3 n GLN 126 Cb 0.54 -2.36 0.30 0.00 -4.06 0.00 0.00 30.24 24.65 1ot3 n GLN 126 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 1ot3 h GLY 127 N 0.00 0.12 1.18 1.69 0.00 -1.99 -1.60 103.07 102.46 1ot3 h GLY 127 Ca 0.68 -0.10 -0.28 0.00 0.00 0.00 0.00 47.33 47.62 1ot3 h GLY 127 CO -0.86 0.09 -1.15 -0.33 0.00 0.00 0.00 176.54 174.29 1ot3 h MET 128 N 0.09 0.63 -0.50 4.80 2.86 -0.45 -2.96 114.93 119.40 1ot3 h MET 128 Ca 0.01 -0.79 -0.02 0.00 -2.06 0.00 0.00 59.70 56.84 1ot3 h MET 128 Cb 0.73 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1ot3 h MET 128 CO 0.05 1.35 0.25 -0.92 1.06 0.00 0.00 176.91 178.71 1ot3 h TYR 129 N 0.26 0.71 -0.19 -0.22 3.20 -1.07 -2.61 116.97 117.05 1ot3 h TYR 129 Ca -0.17 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.62 1ot3 h TYR 129 Cb 1.83 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 1ot3 h TYR 129 CO 0.12 0.55 -0.13 -0.91 -1.64 0.00 0.00 178.16 176.15 1ot3 h ASN 130 N 0.66 0.29 0.02 -2.11 2.35 -1.35 0.98 115.58 116.42 1ot3 h ASN 130 Ca 0.17 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1ot3 h ASN 130 Cb 0.09 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1ot3 h ASN 130 CO -0.02 0.45 -0.01 0.74 -1.65 0.00 0.00 177.43 176.93 1ot3 h THR 131 N 0.29 1.31 -0.65 2.81 2.02 -1.40 -0.23 112.91 117.06 1ot3 h THR 131 Ca 0.06 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.22 1ot3 h THR 131 Cb 0.41 2.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 1ot3 h THR 131 CO 0.02 0.27 0.38 -0.07 0.37 0.00 0.00 175.52 176.49 1ot3 h LEU 132 N -0.50 0.59 -1.20 2.58 3.38 -1.23 -1.91 115.31 117.03 1ot3 h LEU 132 Ca -0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ot3 h LEU 132 Cb 0.47 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1ot3 h LEU 132 CO 0.01 0.39 0.46 -0.33 0.09 0.00 0.00 178.44 179.06 1ot3 h GLU 133 N 0.72 1.00 -0.67 1.13 4.39 -0.65 -1.89 114.58 118.61 1ot3 h GLU 133 Ca 0.28 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 1ot3 h GLU 133 Cb 0.11 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1ot3 h GLU 133 CO -0.14 0.70 0.18 0.93 -1.16 0.00 0.00 179.01 179.51 1ot3 h GLU 134 N 1.02 1.04 -0.41 2.33 4.39 -0.29 -0.51 114.58 122.16 1ot3 h GLU 134 Ca 0.27 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 1ot3 h GLU 134 Cb -0.05 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.44 1ot3 h GLU 134 CO -0.05 0.90 -0.21 -1.49 -1.16 0.00 0.00 179.01 177.00 1ot3 h TRP 135 N 0.99 1.00 -0.19 4.33 4.06 -0.91 -1.27 115.95 123.97 1ot3 h TRP 135 Ca 0.21 -0.25 -0.02 0.00 2.06 0.00 0.00 58.89 60.89 1ot3 h TRP 135 Cb 0.32 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.24 1ot3 h TRP 135 CO 0.02 1.03 0.02 1.88 -3.56 0.00 0.00 178.44 177.83 1ot3 h TYR 136 N 0.68 0.26 0.03 0.49 0.99 -0.84 0.40 116.97 118.98 1ot3 h TYR 136 Ca 0.09 -0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.55 1ot3 h TYR 136 Cb 0.77 -0.08 0.02 0.00 1.00 0.00 0.00 36.73 38.44 1ot3 h TYR 136 CO 0.06 0.26 -1.07 0.87 -0.00 0.00 0.00 178.16 178.28 1ot3 h LYS 137 N 0.26 0.62 -0.54 4.88 1.57 -0.74 -2.07 116.57 120.55 1ot3 h LYS 137 Ca 0.06 -0.70 -0.11 0.00 -1.87 0.00 0.00 60.65 58.04 1ot3 h LYS 137 Cb 0.15 0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1ot3 h LYS 137 CO 0.00 1.29 -0.09 0.35 -0.57 0.00 0.00 179.45 180.43 1ot3 h PHE 138 N 0.33 1.11 -0.31 -1.35 3.57 -0.99 -2.48 116.94 116.83 1ot3 h PHE 138 Ca -0.13 -0.22 -0.03 0.00 3.53 0.00 0.00 57.97 61.12 1ot3 h PHE 138 Cb 1.72 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 1ot3 h PHE 138 CO 0.09 1.02 0.08 0.82 -2.23 0.00 0.00 178.31 178.09 1ot3 h ILE 139 N 0.89 1.22 0.00 1.41 2.04 -0.91 -1.79 117.51 120.38 1ot3 h ILE 139 Ca 0.14 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1ot3 h ILE 139 Cb 0.64 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1ot3 h ILE 139 CO 0.04 0.24 -0.09 1.05 0.00 0.00 0.00 178.15 179.39 1ot3 h GLU 140 N 0.33 0.00 0.00 2.37 4.11 -1.28 -2.12 114.58 117.99 1ot3 h GLU 140 Ca 0.10 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.39 1ot3 h GLU 140 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1ot3 h GLU 140 CO 0.00 0.09 -0.79 0.93 0.07 0.00 0.00 179.01 179.31 1ot3 h GLU 141 N 0.00 0.00 0.00 1.06 5.08 -1.07 -3.45 114.58 116.20 1ot3 h GLU 141 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ot3 h GLU 141 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1ot3 h GLU 141 CO 0.01 0.49 0.00 0.43 -1.00 0.00 0.00 179.01 178.94 1ot3 n SER 142 N -3.15 0.00 -3.36 1.42 7.64 -0.71 -4.89 113.62 110.58 1ot3 n SER 142 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.45 1ot3 n SER 142 Cb 0.78 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.93 1ot3 n SER 142 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ot3 n ILE 143 N 0.00 0.50 -2.99 0.44 -0.00 -0.96 -3.60 119.36 112.75 1ot3 n ILE 143 Ca 0.00 -0.12 -0.40 0.00 -0.00 0.00 0.00 62.75 62.23 1ot3 n ILE 143 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 1ot3 n ILE 143 CO 0.00 0.00 0.00 -2.28 -0.00 0.00 0.00 176.55 174.27 1ot3 s HIS 144 N -0.25 3.72 -0.34 1.39 5.65 0.19 -4.61 115.29 121.04 1ot3 s HIS 144 Ca 0.62 1.45 0.01 0.00 0.25 0.00 0.00 55.06 57.39 1ot3 s HIS 144 Cb -0.87 -2.82 0.10 0.00 -1.18 0.00 0.00 32.58 27.81 1ot3 s HIS 144 CO 0.43 0.25 0.09 0.08 -0.65 0.00 0.00 174.74 174.94 1ot3 s VAL 145 N 0.04 1.53 0.13 0.89 1.01 -1.26 -4.74 120.40 118.00 1ot3 s VAL 145 Ca 0.39 -1.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.14 1ot3 s VAL 145 Cb -0.20 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1ot3 s VAL 145 CO 0.22 -0.66 1.52 -1.58 0.00 0.00 0.00 175.10 174.60 1ot3 s GLN 146 N 1.20 4.25 -0.28 2.72 2.00 -1.26 -5.00 119.66 123.28 1ot3 s GLN 146 Ca 0.11 2.25 -0.00 0.00 -2.00 0.00 0.00 55.36 55.71 1ot3 s GLN 146 Cb -0.19 -3.27 0.17 0.00 0.80 0.00 0.00 33.01 30.53 1ot3 s GLN 146 CO -0.16 -0.57 0.51 0.00 -0.50 0.00 0.00 175.29 174.57 1ot3 s ALA 147 N 1.40 -1.81 -0.02 1.58 0.00 -1.26 -4.82 121.76 116.84 1ot3 s ALA 147 Ca 0.69 1.30 0.11 0.00 0.00 0.00 0.00 51.96 54.06 1ot3 s ALA 147 Cb -0.40 -2.05 -0.17 0.00 0.00 0.00 0.00 23.12 20.49 1ot3 s ALA 147 CO 0.31 -1.41 0.24 -0.25 0.00 0.00 0.00 175.76 174.65 1ot3 n ASP 148 N 5.40 2.39 -3.52 0.00 8.00 -0.42 -4.56 116.55 123.84 1ot3 n ASP 148 Ca -0.01 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.32 1ot3 n ASP 148 Cb 0.51 1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 43.03 1ot3 n ASP 148 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ot3 s LEU 149 N -3.85 -0.52 -0.07 0.64 2.96 -1.06 -4.05 118.68 112.73 1ot3 s LEU 149 Ca -0.04 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1ot3 s LEU 149 Cb 0.07 2.45 0.02 0.00 0.50 0.00 0.00 46.19 49.22 1ot3 s LEU 149 CO 0.47 -0.65 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.11 1ot3 s ILE 150 N -1.62 1.04 -0.36 6.68 1.01 -0.86 -1.05 121.20 126.05 1ot3 s ILE 150 Ca -0.09 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 1ot3 s ILE 150 Cb -0.00 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.51 1ot3 s ILE 150 CO 0.06 0.34 0.18 -0.63 0.00 0.00 0.00 174.94 174.89 1ot3 s ILE 151 N 0.83 4.46 -0.36 2.92 1.01 0.69 -0.60 121.20 130.15 1ot3 s ILE 151 Ca -0.12 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 1ot3 s ILE 151 Cb -0.15 -3.45 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1ot3 s ILE 151 CO 0.02 -0.16 0.40 -0.47 0.00 0.00 0.00 174.94 174.72 1ot3 s TYR 152 N 1.54 3.20 -1.25 3.97 5.04 0.15 -0.85 117.35 129.14 1ot3 s TYR 152 Ca 0.02 -0.06 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 1ot3 s TYR 152 Cb -0.19 -2.75 0.15 0.00 0.35 0.00 0.00 41.96 39.52 1ot3 s TYR 152 CO 0.06 -0.50 1.61 1.28 -1.34 0.00 0.00 175.55 176.66 1ot3 n LEU 153 N 5.48 5.57 -4.72 6.97 4.77 -0.12 -0.68 117.00 134.26 1ot3 n LEU 153 Ca -0.08 -4.41 -0.42 0.00 -0.03 0.00 0.00 56.01 51.07 1ot3 n LEU 153 Cb 0.49 -1.61 -0.03 0.00 -2.33 0.00 0.00 43.42 39.94 1ot3 n LEU 153 CO 0.42 0.80 1.22 -0.60 -1.33 0.00 0.00 177.39 177.90 1ot3 s ARG 154 N 1.76 4.21 -0.06 3.23 3.52 -0.71 -4.50 118.95 126.40 1ot3 s ARG 154 Ca 0.44 2.38 -0.10 0.00 -0.13 0.00 0.00 55.73 58.32 1ot3 s ARG 154 Cb 0.02 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1ot3 s ARG 154 CO 0.01 -0.59 0.25 0.95 -0.81 0.00 0.00 175.30 175.11 1ot3 s THR 155 N 0.88 0.03 0.50 4.11 -4.23 -1.26 -3.25 115.64 112.42 1ot3 s THR 155 Ca 0.68 -0.23 -0.20 0.00 -1.18 0.00 0.00 61.69 60.76 1ot3 s THR 155 Cb -0.44 -0.43 -0.08 0.00 1.34 0.00 0.00 72.50 72.89 1ot3 s THR 155 CO 0.34 -0.13 1.07 -0.94 -0.54 0.00 0.00 174.62 174.42 1ot3 s SER 156 N -0.45 6.17 0.35 3.99 1.04 -1.26 -4.84 113.70 118.70 1ot3 s SER 156 Ca -0.06 2.01 0.09 0.00 0.48 0.00 0.00 55.95 58.48 1ot3 s SER 156 Cb -0.04 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 64.35 1ot3 s SER 156 CO 0.01 -0.90 1.84 -0.65 0.98 0.00 0.00 173.24 174.53 1ot3 h PRO 157 N 1.49 0.66 -0.03 4.02 0.11 -1.96 -0.88 132.00 135.41 1ot3 h PRO 157 Ca -0.50 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.58 1ot3 h PRO 157 Cb 1.23 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ot3 h PRO 157 CO 0.58 0.44 -0.01 0.93 -0.21 0.00 0.00 178.00 179.73 1ot3 h GLU 158 N 0.68 0.00 -0.53 1.05 3.07 -1.94 0.86 114.58 117.78 1ot3 h GLU 158 Ca 0.48 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.28 1ot3 h GLU 158 Cb 0.82 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 1ot3 h GLU 158 CO -0.24 0.00 0.07 0.28 -1.40 0.00 0.00 179.01 177.72 1ot3 h VAL 159 N 0.00 1.26 -0.44 3.13 2.07 -1.74 -1.66 116.25 118.86 1ot3 h VAL 159 Ca 0.02 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1ot3 h VAL 159 Cb 0.02 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1ot3 h VAL 159 CO -0.03 0.35 0.27 0.00 0.02 0.00 0.00 177.57 178.18 1ot3 h ALA 160 N 0.97 0.56 -0.55 1.67 0.00 -0.96 -1.40 119.26 119.56 1ot3 h ALA 160 Ca 0.16 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1ot3 h ALA 160 Cb 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1ot3 h ALA 160 CO 0.01 0.05 0.35 -0.92 0.00 0.00 0.00 179.25 178.74 1ot3 h TYR 161 N 0.59 0.66 -0.63 0.00 3.20 -0.71 -2.02 116.97 118.06 1ot3 h TYR 161 Ca 0.16 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1ot3 h TYR 161 Cb -0.01 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1ot3 h TYR 161 CO -0.03 0.40 0.23 1.49 -1.64 0.00 0.00 178.16 178.61 1ot3 h GLU 162 N 0.71 0.94 -0.41 1.82 4.57 -0.97 -1.50 114.58 119.73 1ot3 h GLU 162 Ca 0.21 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 1ot3 h GLU 162 Cb -0.05 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1ot3 h GLU 162 CO -0.06 0.78 -0.23 -0.09 -1.18 0.00 0.00 179.01 178.23 1ot3 h ARG 163 N 0.92 0.83 -0.18 1.92 2.43 -0.89 -2.32 114.38 117.10 1ot3 h ARG 163 Ca 0.21 -0.34 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 1ot3 h ARG 163 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1ot3 h ARG 163 CO -0.02 0.98 -0.42 0.82 -1.51 0.00 0.00 179.97 179.82 1ot3 h ILE 164 N 0.72 1.31 -0.54 1.20 2.04 -1.09 -3.13 117.51 118.02 1ot3 h ILE 164 Ca 0.10 -1.57 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 1ot3 h ILE 164 Cb 0.76 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 1ot3 h ILE 164 CO 0.06 0.48 0.22 -0.09 0.00 0.00 0.00 178.15 178.83 1ot3 h ARG 165 N 0.34 0.81 0.00 2.37 2.43 -0.98 -2.99 114.38 116.36 1ot3 h ARG 165 Ca 0.03 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1ot3 h ARG 165 Cb 0.88 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1ot3 h ARG 165 CO 0.07 0.70 0.00 1.04 -1.51 0.00 0.00 179.97 180.27 1ot3 n GLN 166 N -4.52 0.87 -4.01 0.20 1.13 -0.90 -4.84 117.38 105.31 1ot3 n GLN 166 Ca 0.03 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.87 1ot3 n GLN 166 Cb 0.15 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 28.98 1ot3 n GLN 166 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1ot3 s ARG 167 N -2.00 2.62 0.74 -1.09 0.52 -1.13 -5.09 118.95 113.52 1ot3 s ARG 167 Ca 0.40 -1.33 -0.16 0.00 -0.52 0.00 0.00 55.73 54.12 1ot3 s ARG 167 Cb 0.18 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 33.23 1ot3 s ARG 167 CO 0.31 0.19 0.41 0.00 0.02 0.00 0.00 175.30 176.23 1ot3 n ALA 168 N -1.22 -1.88 -2.21 2.13 0.00 -1.26 -4.84 120.51 111.22 1ot3 n ALA 168 Ca -0.04 -0.27 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 1ot3 n ALA 168 Cb 0.60 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 18.24 1ot3 n ALA 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ot3 s ARG 169 N -2.67 4.22 0.06 0.00 3.52 -1.26 -4.97 118.95 117.85 1ot3 s ARG 169 Ca 0.63 1.93 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1ot3 s ARG 169 Cb -0.34 -3.83 0.00 0.00 -1.56 0.00 0.00 34.95 29.22 1ot3 s ARG 169 CO 0.60 -0.75 0.00 0.43 -0.81 0.00 0.00 175.30 174.78 1ot3 n SER 170 N 6.65 2.15 0.05 -2.12 7.64 -1.26 -5.01 113.62 121.71 1ot3 n SER 170 Ca 0.15 -1.24 -0.04 0.00 1.01 0.00 0.00 58.87 58.75 1ot3 n SER 170 Cb 0.44 0.04 0.18 0.00 -1.01 0.00 0.00 64.21 63.86 1ot3 n SER 170 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ot3 h GLU 171 N 0.00 0.38 -0.00 1.43 3.07 -1.95 -3.06 114.58 114.44 1ot3 h GLU 171 Ca -0.05 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1ot3 h GLU 171 Cb 0.14 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 1ot3 h GLU 171 CO 0.08 0.71 -0.21 -0.85 -1.40 0.00 0.00 179.01 177.33 1ot3 n GLU 172 N -4.04 0.35 0.20 2.33 0.28 -1.26 -4.26 120.64 114.23 1ot3 n GLU 172 Ca -0.01 -0.14 0.10 0.00 -0.16 0.00 0.00 57.16 56.95 1ot3 n GLU 172 Cb 0.48 -1.50 0.52 0.00 1.43 0.00 0.00 31.44 32.37 1ot3 n GLU 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1ot3 h SER 173 N 0.34 0.00 -0.01 -1.84 0.02 -1.90 -1.51 113.55 108.65 1ot3 h SER 173 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ot3 h SER 173 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1ot3 h SER 173 CO 0.00 0.00 -0.42 0.00 -1.14 0.00 0.00 176.83 175.27 1ot3 n VAL 175 N 0.13 0.59 -2.10 0.00 0.24 -0.57 -4.93 118.33 111.70 1ot3 n VAL 175 Ca 0.10 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.34 61.90 1ot3 n VAL 175 Cb 0.48 -1.68 0.02 0.00 -1.47 0.00 0.00 33.84 31.19 1ot3 n VAL 175 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1ot3 s PRO 176 N 0.12 3.16 0.44 7.34 0.02 -1.26 -4.89 135.00 139.93 1ot3 s PRO 176 Ca 0.71 1.57 0.16 0.00 0.02 0.00 0.00 61.00 63.46 1ot3 s PRO 176 Cb -0.60 -1.98 1.09 0.00 0.02 0.00 0.00 34.50 33.02 1ot3 s PRO 176 CO 0.44 -0.99 1.95 1.25 -0.33 0.00 0.00 177.00 179.31 1ot3 h LEU 177 N 0.84 0.34 -1.24 -5.54 5.85 -1.97 0.11 115.31 113.70 1ot3 h LEU 177 Ca -0.49 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.29 1ot3 h LEU 177 Cb 1.26 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1ot3 h LEU 177 CO 0.56 0.18 0.53 0.50 -0.34 0.00 0.00 178.44 179.88 1ot3 h LYS 178 N 0.36 0.93 0.03 1.25 1.63 -1.98 0.28 116.57 119.08 1ot3 h LYS 178 Ca 0.33 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1ot3 h LYS 178 Cb 0.78 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1ot3 h LYS 178 CO -0.09 0.62 -0.02 -0.92 -3.45 0.00 0.00 179.45 175.59 1ot3 h TYR 179 N 0.96 -0.04 -0.09 1.91 3.20 -1.13 -0.17 116.97 121.61 1ot3 h TYR 179 Ca 0.33 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.17 1ot3 h TYR 179 Cb 0.12 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1ot3 h TYR 179 CO -0.00 0.24 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.56 1ot3 h LEU 180 N -0.32 0.13 -0.61 2.82 3.38 -1.28 -1.23 115.31 118.19 1ot3 h LEU 180 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 1ot3 h LEU 180 Cb 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1ot3 h LEU 180 CO 0.01 0.27 -0.04 -0.61 0.09 0.00 0.00 178.44 178.15 1ot3 h GLN 181 N 0.13 1.05 -0.29 1.13 4.15 -0.63 -0.25 115.11 120.40 1ot3 h GLN 181 Ca 0.03 -0.35 -0.09 0.00 0.77 0.00 0.00 58.65 59.00 1ot3 h GLN 181 Cb 0.30 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1ot3 h GLN 181 CO 0.02 1.05 -0.19 0.93 -1.93 0.00 0.00 178.83 178.71 1ot3 h GLU 182 N 0.95 0.64 -0.54 1.69 5.08 0.07 -2.53 114.58 119.93 1ot3 h GLU 182 Ca 0.16 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 58.17 1ot3 h GLU 182 Cb 0.60 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1ot3 h GLU 182 CO 0.04 0.89 0.11 -0.07 -1.00 0.00 0.00 179.01 178.98 1ot3 h LEU 183 N 0.38 0.79 -0.10 1.33 3.38 -1.18 -2.01 115.31 117.90 1ot3 h LEU 183 Ca 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1ot3 h LEU 183 Cb 0.73 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ot3 h LEU 183 CO 0.05 0.79 0.06 -0.74 0.09 0.00 0.00 178.44 178.69 1ot3 h HIS 184 N 0.81 0.12 -0.41 1.13 2.76 -0.92 -0.14 115.15 118.50 1ot3 h HIS 184 Ca 0.17 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.28 1ot3 h HIS 184 Cb 0.32 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1ot3 h HIS 184 CO 0.02 0.08 -0.05 0.93 -1.30 0.00 0.00 177.93 177.61 1ot3 h GLU 185 N 0.13 0.68 -0.48 5.26 4.39 -1.24 -0.51 114.58 122.81 1ot3 h GLU 185 Ca 0.04 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.47 1ot3 h GLU 185 Cb -0.01 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1ot3 h GLU 185 CO -0.01 0.73 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.49 1ot3 h LEU 186 N 0.63 0.77 -0.59 1.33 3.38 -0.92 0.26 115.31 120.18 1ot3 h LEU 186 Ca 0.12 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 1ot3 h LEU 186 Cb 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ot3 h LEU 186 CO 0.02 0.85 -0.58 0.45 0.09 0.00 0.00 178.44 179.27 1ot3 h HIS 187 N 0.75 0.49 0.07 1.13 3.86 -0.59 -2.46 115.15 118.40 1ot3 h HIS 187 Ca 0.14 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1ot3 h HIS 187 Cb 0.47 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1ot3 h HIS 187 CO 0.03 0.87 -0.04 0.93 0.86 0.00 0.00 177.93 180.58 1ot3 h GLU 188 N 0.29 -0.09 -0.18 2.45 4.39 -0.59 0.30 114.58 121.14 1ot3 h GLU 188 Ca -0.00 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.76 1ot3 h GLU 188 Cb 1.11 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1ot3 h GLU 188 CO 0.10 0.21 0.15 -0.44 -1.16 0.00 0.00 179.01 177.87 1ot3 h ASP 189 N -0.41 0.00 0.00 1.42 3.32 -0.46 0.21 116.42 120.51 1ot3 h ASP 189 Ca -0.01 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1ot3 h ASP 189 Cb 0.35 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1ot3 h ASP 189 CO 0.02 0.00 -0.73 -0.25 -1.72 0.00 0.00 179.24 176.55 1ot3 h TRP 190 N 0.00 0.00 -0.01 4.55 7.01 -1.18 0.40 115.95 126.72 1ot3 h TRP 190 Ca 0.09 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.09 1ot3 h TRP 190 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1ot3 h TRP 190 CO 0.00 1.14 -0.40 1.28 -2.79 0.00 0.00 178.44 177.67 1ot3 n LEU 191 N -4.52 1.69 0.05 0.65 4.77 0.10 -3.52 117.00 116.22 1ot3 n LEU 191 Ca -0.21 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1ot3 n LEU 191 Cb 0.55 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1ot3 n LEU 191 CO 0.22 0.31 -0.03 -0.38 -1.33 0.00 0.00 177.39 176.19 1ot3 n ILE 192 N -0.23 1.13 1.20 -0.08 2.08 0.64 -4.75 119.36 119.35 1ot3 n ILE 192 Ca 0.10 0.37 0.14 0.00 0.56 0.00 0.00 62.75 63.93 1ot3 n ILE 192 Cb 0.43 -1.55 0.69 0.00 -0.75 0.00 0.00 39.64 38.46 1ot3 n ILE 192 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1ot3 n HIS 193 N -3.47 0.00 -4.04 1.39 8.25 -0.54 -4.93 115.22 111.88 1ot3 n HIS 193 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1ot3 n HIS 193 Cb 0.03 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 30.73 1ot3 n HIS 193 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ot3 n GLN 194 N -1.40 -3.78 0.18 -0.41 6.02 -0.89 -4.84 117.38 112.26 1ot3 n GLN 194 Ca 0.10 0.44 0.13 0.00 -0.01 0.00 0.00 57.00 57.67 1ot3 n GLN 194 Cb 0.29 -4.98 0.43 0.00 1.02 0.00 0.00 30.24 27.01 1ot3 n GLN 194 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ot3 h ARG 195 N -1.76 0.00 -6.28 -1.09 3.08 -0.43 -3.45 114.38 104.46 1ot3 h ARG 195 Ca -0.60 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 58.98 1ot3 h ARG 195 Cb 1.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 1ot3 h ARG 195 CO 0.69 0.00 -0.36 1.03 -1.07 0.00 0.00 179.97 180.26 1ot3 s ARG 196 N -3.31 3.45 -0.83 0.04 3.00 -1.26 -5.01 118.95 115.04 1ot3 s ARG 196 Ca 0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 55.73 55.10 1ot3 s ARG 196 Cb 0.09 -2.83 -0.04 0.00 0.00 0.00 0.00 34.95 32.18 1ot3 s ARG 196 CO 0.55 0.35 2.93 -0.35 0.00 0.00 0.00 175.30 178.78 1ot3 n PRO 197 N -1.48 3.17 -0.59 3.54 -0.04 -1.26 -4.99 135.00 133.35 1ot3 n PRO 197 Ca -0.08 -2.27 -0.30 0.00 -0.04 0.00 0.00 63.50 60.81 1ot3 n PRO 197 Cb 0.57 -2.38 0.21 0.00 -0.04 0.00 0.00 33.50 31.85 1ot3 n PRO 197 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ot3 n GLN 198 N 2.11 -1.38 -1.16 0.54 -0.06 -1.26 -4.99 117.38 111.18 1ot3 n GLN 198 Ca 0.58 -0.35 -0.10 0.00 -2.00 0.00 0.00 57.00 55.12 1ot3 n GLN 198 Cb 0.49 -2.25 0.14 0.00 -4.06 0.00 0.00 30.24 24.56 1ot3 n GLN 198 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1ot3 n SER 199 N -4.40 3.43 -3.63 1.69 3.41 -1.26 -5.06 113.62 107.80 1ot3 n SER 199 Ca 0.08 -3.81 0.02 0.00 -0.26 0.00 0.00 58.87 54.89 1ot3 n SER 199 Cb 0.53 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1ot3 n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ot3 s LYS 201 N -2.34 2.19 -0.07 0.00 -0.14 -1.26 -4.88 119.74 113.24 1ot3 s LYS 201 Ca 0.16 1.21 -0.00 0.00 -1.36 0.00 0.00 55.97 55.98 1ot3 s LYS 201 Cb 0.05 -1.89 0.02 0.00 -1.68 0.00 0.00 37.83 34.33 1ot3 s LYS 201 CO -0.04 -1.70 -0.04 0.08 -0.76 0.00 0.00 175.35 172.89 1ot3 s VAL 202 N -2.85 0.63 -0.23 3.17 1.01 -1.26 -2.03 120.40 118.84 1ot3 s VAL 202 Ca 0.62 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 62.41 1ot3 s VAL 202 Cb -0.18 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1ot3 s VAL 202 CO 0.55 0.28 0.12 -0.22 0.00 0.00 0.00 175.10 175.83 1ot3 s LEU 203 N 1.45 3.91 -0.28 3.92 2.96 0.23 -4.98 118.68 125.90 1ot3 s LEU 203 Ca -0.02 0.04 -0.09 0.00 -0.22 0.00 0.00 54.13 53.84 1ot3 s LEU 203 Cb -0.13 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1ot3 s LEU 203 CO -0.03 0.07 0.12 -0.69 -1.32 0.00 0.00 176.35 174.50 1ot3 s VAL 204 N 1.01 4.61 0.19 1.68 1.01 -1.26 -0.68 120.40 126.96 1ot3 s VAL 204 Ca 0.06 -0.19 0.07 0.00 0.00 0.00 0.00 61.98 61.92 1ot3 s VAL 204 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1ot3 s VAL 204 CO 0.04 0.23 0.08 -0.76 0.00 0.00 0.00 175.10 174.69 1ot3 s LEU 205 N 1.64 3.57 0.08 3.92 1.43 0.14 -4.98 118.68 124.49 1ot3 s LEU 205 Ca 0.06 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1ot3 s LEU 205 Cb -0.16 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1ot3 s LEU 205 CO 0.06 0.05 0.08 -0.62 0.23 0.00 0.00 176.35 176.15 1ot3 s ASP 206 N -3.24 5.52 0.17 2.29 3.68 -1.26 -1.75 116.67 122.09 1ot3 s ASP 206 Ca 0.30 -0.01 -0.01 0.00 2.13 0.00 0.00 52.55 54.96 1ot3 s ASP 206 Cb -0.09 -1.48 0.04 0.00 -1.45 0.00 0.00 42.92 39.94 1ot3 s ASP 206 CO 0.22 0.17 1.42 0.00 0.13 0.00 0.00 175.17 177.11 1ot3 h ALA 207 N 3.30 0.57 0.00 3.66 0.00 -1.89 -3.48 119.26 121.43 1ot3 h ALA 207 Ca -0.47 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1ot3 h ALA 207 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ot3 h ALA 207 CO 0.66 0.78 0.00 -0.25 0.00 0.00 0.00 179.25 180.44