#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot3 s LYS 13 N 0.00 4.42 0.26 -0.78 1.02 -1.26 -5.00 119.74 118.40 1ot3 s LYS 13 Ca 0.00 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 57.07 1ot3 s LYS 13 Cb 0.00 -2.66 -0.10 0.00 -0.52 0.00 0.00 37.83 34.54 1ot3 s LYS 13 CO 0.00 0.12 1.49 -0.47 -0.92 0.00 0.00 175.35 175.56 1ot3 s TYR 14 N -1.68 2.93 -0.29 3.18 5.04 0.10 -2.46 117.35 124.17 1ot3 s TYR 14 Ca 0.54 0.96 0.00 0.00 -2.44 0.00 0.00 57.07 56.13 1ot3 s TYR 14 Cb -0.19 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1ot3 s TYR 14 CO 0.24 -2.94 0.00 0.00 -1.34 0.00 0.00 175.55 171.51 1ot3 n ALA 15 N 2.24 -0.04 -2.05 3.97 0.00 -1.26 -0.70 120.51 122.67 1ot3 n ALA 15 Ca 0.07 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 1ot3 n ALA 15 Cb 0.39 -0.72 -0.03 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.43 4.42 -1.10 0.00 2.12 -1.03 -2.92 118.70 118.77 1ot3 s GLU 16 Ca 0.00 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.31 1ot3 s GLU 16 Cb 0.00 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1ot3 s GLU 16 CO 0.00 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.92 1ot3 n GLY 17 N 2.41 1.07 0.04 -1.50 0.00 -1.26 -4.87 105.19 101.08 1ot3 n GLY 17 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.82 0.02 -4.74 2.61 -2.24 -1.15 -5.04 114.28 100.92 1ot3 n THR 18 Ca -0.11 -0.51 -0.33 0.00 -2.27 0.00 0.00 64.05 60.83 1ot3 n THR 18 Cb 0.37 1.01 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.10 2.78 0.17 -0.78 -1.52 -1.26 -4.61 119.66 114.34 1ot3 s GLN 19 Ca 0.01 -0.63 -0.02 0.00 -1.95 0.00 0.00 55.36 52.77 1ot3 s GLN 19 Cb 0.01 -2.53 0.04 0.00 -0.22 0.00 0.00 33.01 30.31 1ot3 s GLN 19 CO 0.01 0.56 0.23 -0.35 -0.25 0.00 0.00 175.29 175.50 1ot3 n PRO 20 N 2.50 -0.09 -1.68 2.91 -0.04 -1.26 -4.94 135.00 132.40 1ot3 n PRO 20 Ca -0.18 -0.40 -0.45 0.00 -0.04 0.00 0.00 63.50 62.44 1ot3 n PRO 20 Cb 0.53 -0.23 -0.04 0.00 -0.04 0.00 0.00 33.50 33.72 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 -2.20 2.47 -5.02 0.54 7.35 -1.23 -4.75 117.46 114.62 1ot3 n PHE 21 Ca 0.03 -0.01 -0.32 0.00 -0.76 0.00 0.00 57.45 56.38 1ot3 n PHE 21 Cb 0.11 -2.67 -0.16 0.00 0.35 0.00 0.00 39.48 37.11 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 2.58 2.54 -0.10 -2.13 2.01 -1.26 -0.34 115.64 118.94 1ot3 s THR 22 Ca 0.84 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.99 1ot3 s THR 22 Cb -0.58 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1ot3 s THR 22 CO 0.41 0.55 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.07 1ot3 s VAL 23 N 0.23 3.16 -0.13 3.82 1.01 0.12 -1.95 120.40 126.66 1ot3 s VAL 23 Ca -0.12 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1ot3 s VAL 23 Cb -0.16 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1ot3 s VAL 23 CO 0.07 0.55 -0.03 -0.76 0.00 0.00 0.00 175.10 174.92 1ot3 s LEU 24 N -0.06 3.31 -0.28 3.92 1.43 0.34 -0.12 118.68 127.22 1ot3 s LEU 24 Ca -0.02 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 52.96 1ot3 s LEU 24 Cb -0.14 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.30 1ot3 s LEU 24 CO 0.04 0.25 0.07 -0.63 0.23 0.00 0.00 176.35 176.31 1ot3 s ILE 25 N -0.11 4.06 0.06 -0.59 -1.09 0.60 -0.21 121.20 123.93 1ot3 s ILE 25 Ca 0.03 -0.50 0.10 0.00 -2.23 0.00 0.00 60.65 58.04 1ot3 s ILE 25 Cb -0.13 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.70 1ot3 s ILE 25 CO 0.02 0.18 -0.26 -1.61 -1.23 0.00 0.00 174.94 172.05 1ot3 s GLU 26 N 1.54 1.73 -0.27 2.79 0.41 -0.42 0.30 118.70 124.78 1ot3 s GLU 26 Ca 0.04 -1.16 -0.38 0.00 -0.41 0.00 0.00 54.97 53.06 1ot3 s GLU 26 Cb -0.16 -1.98 0.16 0.00 -1.78 0.00 0.00 34.13 30.37 1ot3 s GLU 26 CO 0.03 0.50 1.39 0.20 -0.49 0.00 0.00 175.26 176.88 1ot3 s GLY 27 N -1.45 -0.23 1.15 -1.39 0.00 -1.26 -0.87 107.32 103.26 1ot3 s GLY 27 Ca 0.13 1.82 -0.16 0.00 0.00 0.00 0.00 44.72 46.51 1ot3 s GLY 27 CO 0.03 0.59 1.07 0.21 0.00 0.00 0.00 173.10 175.00 1ot3 s ASN 28 N -2.11 1.32 0.26 1.64 3.84 -1.26 -4.92 114.94 113.71 1ot3 s ASN 28 Ca 0.12 1.03 -0.29 0.00 0.21 0.00 0.00 52.86 53.93 1ot3 s ASN 28 Cb -0.00 -1.57 -0.09 0.00 -0.55 0.00 0.00 41.25 39.04 1ot3 s ASN 28 CO -0.03 -3.92 1.23 -0.63 -2.79 0.00 0.00 177.10 170.96 1ot3 s ILE 29 N -2.80 3.18 0.00 -5.21 1.01 -1.26 -2.77 121.20 113.34 1ot3 s ILE 29 Ca 0.68 1.10 0.00 0.00 0.00 0.00 0.00 60.65 62.43 1ot3 s ILE 29 Cb -0.17 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.60 1ot3 s ILE 29 CO 0.59 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.36 1ot3 n GLY 30 N 1.49 0.46 0.34 6.18 0.00 -1.26 -4.71 105.19 107.69 1ot3 n GLY 30 Ca 0.02 -0.53 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.97 1.20 0.00 1.61 3.41 -1.11 -4.32 113.62 115.36 1ot3 n SER 31 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1ot3 n SER 31 Cb 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 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 0.95 0.35 5.00 0.00 -1.26 -4.83 105.19 106.66 1ot3 n GLY 32 Ca 0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 3.50 -0.47 -0.74 1.61 1.57 -1.92 0.13 116.57 120.25 1ot3 h LYS 33 Ca 0.00 0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1ot3 h LYS 33 Cb 0.00 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 1ot3 h LYS 33 CO 0.00 -0.31 0.37 1.15 -0.57 0.00 0.00 179.45 180.09 1ot3 h THR 34 N -0.49 0.84 -0.57 -0.16 2.02 -1.99 0.24 112.91 112.80 1ot3 h THR 34 Ca 0.06 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 1ot3 h THR 34 Cb 0.58 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1ot3 h THR 34 CO -0.28 0.11 0.07 0.74 0.37 0.00 0.00 175.52 176.53 1ot3 h THR 35 N 0.62 1.25 -0.04 3.16 2.02 -1.90 -1.95 112.91 116.06 1ot3 h THR 35 Ca 0.37 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1ot3 h THR 35 Cb 0.40 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1ot3 h THR 35 CO -0.28 0.36 0.01 0.22 0.37 0.00 0.00 175.52 176.19 1ot3 h TYR 36 N 0.87 0.07 0.00 3.16 3.20 0.18 -2.99 116.97 121.45 1ot3 h TYR 36 Ca 0.17 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 1ot3 h TYR 36 Cb 0.41 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 1ot3 h TYR 36 CO 0.03 0.31 -0.17 -0.07 -1.64 0.00 0.00 178.16 176.62 1ot3 h LEU 37 N -0.19 0.00 -2.02 2.82 3.38 -0.59 -2.80 115.31 115.91 1ot3 h LEU 37 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1ot3 h LEU 37 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1ot3 h LEU 37 CO 0.00 0.17 0.20 0.78 0.09 0.00 0.00 178.44 179.68 1ot3 h ASN 38 N 0.00 0.00 0.59 -0.43 2.35 -1.19 0.81 115.58 117.70 1ot3 h ASN 38 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ot3 h ASN 38 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1ot3 h ASN 38 CO 0.02 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.21 1ot3 n HIS 39 N -4.39 0.02 0.38 1.19 8.25 -1.05 -3.01 115.22 116.60 1ot3 n HIS 39 Ca 0.04 0.01 0.11 0.00 -0.26 0.00 0.00 57.72 57.61 1ot3 n HIS 39 Cb 0.36 -0.51 -0.13 0.00 1.12 0.00 0.00 29.99 30.83 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 -1.51 0.06 -0.29 4.41 3.01 0.27 -4.48 117.46 118.93 1ot3 n PHE 40 Ca 0.04 0.02 0.09 0.00 1.01 0.00 0.00 57.45 58.61 1ot3 n PHE 40 Cb 0.20 -0.35 0.24 0.00 -0.01 0.00 0.00 39.48 39.56 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 0.00 0.49 0.00 -1.08 4.81 -1.53 -0.29 114.58 116.99 1ot3 h GLU 41 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ot3 h GLU 41 Cb 0.81 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1ot3 h GLU 41 CO 0.00 0.32 0.04 0.36 -0.73 0.00 0.00 179.01 179.00 1ot3 n LYS 42 N -4.96 0.00 -0.15 1.92 2.85 -1.26 -0.65 118.16 115.91 1ot3 n LYS 42 Ca 0.18 0.24 0.05 0.00 -1.05 0.00 0.00 58.31 57.73 1ot3 n LYS 42 Cb 0.50 -1.54 0.12 0.00 -0.65 0.00 0.00 35.03 33.46 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 -1.21 0.32 0.33 5.58 4.02 -0.12 -4.73 117.16 121.36 1ot3 n TYR 43 Ca 0.00 -0.64 0.12 0.00 -0.01 0.00 0.00 57.90 57.36 1ot3 n TYR 43 Cb 0.04 -0.10 0.62 0.00 -0.02 0.00 0.00 39.34 39.87 1ot3 n TYR 43 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1ot3 h LYS 44 N 0.98 0.00 0.00 -0.72 1.57 -0.98 0.33 116.57 117.75 1ot3 h LYS 44 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ot3 h LYS 44 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 1ot3 h LYS 44 CO 0.04 0.00 -0.46 0.09 -0.57 0.00 0.00 179.45 178.55 1ot3 n ASN 45 N -2.78 0.67 -0.00 0.86 3.02 -1.26 -4.05 115.26 111.70 1ot3 n ASN 45 Ca -0.02 0.19 0.05 0.00 -0.03 0.00 0.00 54.58 54.78 1ot3 n ASN 45 Cb 0.53 -0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.57 1ot3 n ASN 45 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ot3 n ASP 46 N -2.05 2.54 -4.16 6.41 10.43 0.11 -5.04 116.55 124.79 1ot3 n ASP 46 Ca 0.04 -0.03 -0.10 0.00 2.57 0.00 0.00 54.79 57.27 1ot3 n ASP 46 Cb 0.42 1.45 -0.10 0.00 1.84 0.00 0.00 41.12 44.74 1ot3 n ASP 46 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1ot3 s ILE 47 N -2.69 0.58 -0.29 0.53 -4.36 -0.78 -4.22 121.20 109.97 1ot3 s ILE 47 Ca -0.03 -1.92 -0.18 0.00 -0.26 0.00 0.00 60.65 58.26 1ot3 s ILE 47 Cb 0.07 -1.71 -0.02 0.00 1.25 0.00 0.00 42.46 42.05 1ot3 s ILE 47 CO 0.43 -0.84 0.51 0.00 0.24 0.00 0.00 174.94 175.28 1ot3 s LEU 49 N 2.34 5.16 -0.38 0.00 1.98 -1.26 -0.60 118.68 125.93 1ot3 s LEU 49 Ca 0.20 -2.09 -0.10 0.00 -2.89 0.00 0.00 54.13 49.25 1ot3 s LEU 49 Cb -0.15 -1.79 0.04 0.00 0.66 0.00 0.00 46.19 44.94 1ot3 s LEU 49 CO 0.11 -0.51 0.20 -0.76 -1.89 0.00 0.00 176.35 173.50 1ot3 s LEU 50 N 1.05 4.75 0.66 -0.68 1.43 -0.67 -5.02 118.68 120.18 1ot3 s LEU 50 Ca 0.09 -1.12 -0.10 0.00 -1.03 0.00 0.00 54.13 51.98 1ot3 s LEU 50 Cb -0.22 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1ot3 s LEU 50 CO -0.05 -0.41 1.02 0.42 0.23 0.00 0.00 176.35 177.57 1ot3 s THR 51 N 1.51 3.72 0.16 5.49 -4.23 -1.26 -1.93 115.64 119.10 1ot3 s THR 51 Ca 0.01 0.38 -0.34 0.00 -1.18 0.00 0.00 61.69 60.56 1ot3 s THR 51 Cb -0.20 -3.53 -0.15 0.00 1.34 0.00 0.00 72.50 69.97 1ot3 s THR 51 CO 0.05 -0.65 1.43 -0.62 -0.54 0.00 0.00 174.62 174.30 1ot3 n GLU 52 N -2.83 1.75 -0.32 3.99 1.02 -1.26 -4.78 120.64 118.21 1ot3 n GLU 52 Ca 0.06 0.63 -0.03 0.00 -0.02 0.00 0.00 57.16 57.80 1ot3 n GLU 52 Cb 0.57 -2.31 -0.04 0.00 -0.02 0.00 0.00 31.44 29.64 1ot3 n GLU 52 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1ot3 n PRO 53 N 2.71 0.65 0.03 3.49 -0.02 -1.26 -4.41 135.00 136.18 1ot3 n PRO 53 Ca 0.16 -0.22 -0.12 0.00 -2.02 0.00 0.00 63.50 61.30 1ot3 n PRO 53 Cb 0.26 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.17 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 2.08 1.04 -0.03 -1.45 2.07 -2.00 -1.81 116.25 116.15 1ot3 h VAL 54 Ca 0.04 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1ot3 h VAL 54 Cb 0.54 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1ot3 h VAL 54 CO 0.19 0.03 0.04 -0.33 0.02 0.00 0.00 177.57 177.52 1ot3 h GLU 55 N -0.02 0.00 0.02 1.57 4.39 -1.99 0.24 114.58 118.79 1ot3 h GLU 55 Ca 0.01 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1ot3 h GLU 55 Cb 0.04 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1ot3 h GLU 55 CO -0.00 0.00 -1.01 0.87 -1.16 0.00 0.00 179.01 177.71 1ot3 h LYS 56 N 0.00 0.47 0.00 2.33 1.57 -1.67 -2.99 116.57 116.28 1ot3 h LYS 56 Ca 0.01 -0.53 -0.08 0.00 -1.87 0.00 0.00 60.65 58.18 1ot3 h LYS 56 Cb 0.09 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1ot3 h LYS 56 CO -0.00 1.17 -0.37 -1.49 -0.57 0.00 0.00 179.45 178.19 1ot3 h TRP 57 N 0.25 0.00 0.00 -1.35 6.55 -0.01 -2.52 115.95 118.87 1ot3 h TRP 57 Ca -0.10 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.74 1ot3 h TRP 57 Cb 1.66 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.96 1ot3 h TRP 57 CO 0.07 0.37 -0.09 0.54 -1.05 0.00 0.00 178.44 178.29 1ot3 n ARG 58 N -3.67 0.05 -3.11 0.49 1.74 -0.32 -0.84 116.66 111.01 1ot3 n ARG 58 Ca -0.01 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.92 1ot3 n ARG 58 Cb 0.47 -1.55 -0.05 0.00 -1.02 0.00 0.00 32.46 30.32 1ot3 n ARG 58 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ot3 n ASN 59 N -1.63 -1.34 -4.40 0.55 5.15 -0.95 -3.66 115.26 108.98 1ot3 n ASN 59 Ca 0.06 -2.71 -0.45 0.00 -0.60 0.00 0.00 54.58 50.89 1ot3 n ASN 59 Cb 0.36 0.29 -0.00 0.00 -0.53 0.00 0.00 39.78 39.89 1ot3 n ASN 59 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ot3 s VAL 60 N 0.01 5.50 -1.11 3.44 1.01 0.25 -4.38 120.40 125.13 1ot3 s VAL 60 Ca 0.33 -2.94 -0.06 0.00 0.00 0.00 0.00 61.98 59.31 1ot3 s VAL 60 Cb 0.09 -4.74 0.01 0.00 0.00 0.00 0.00 36.38 31.74 1ot3 s VAL 60 CO -0.15 -1.38 0.96 -3.20 0.00 0.00 0.00 175.10 171.32 1ot3 n ASN 61 N 4.24 -4.78 0.00 3.32 2.85 -1.26 -2.62 115.26 117.01 1ot3 n ASN 61 Ca 0.29 -0.47 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 1ot3 n ASN 61 Cb 0.42 -4.33 0.00 0.00 1.24 0.00 0.00 39.78 37.10 1ot3 n ASN 61 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ot3 n GLY 62 N -1.61 1.47 3.77 8.20 0.00 -1.26 -5.07 105.19 110.69 1ot3 n GLY 62 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.41 4.89 -0.80 1.61 1.01 -1.08 -4.98 120.40 118.65 1ot3 s VAL 63 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1ot3 s VAL 63 Cb 0.00 -3.10 0.21 0.00 0.00 0.00 0.00 36.38 33.49 1ot3 s VAL 63 CO 0.00 0.60 0.72 0.21 0.00 0.00 0.00 175.10 176.63 1ot3 s ASN 64 N -0.85 6.52 0.43 3.32 3.84 -1.24 0.86 114.94 127.81 1ot3 s ASN 64 Ca 0.13 -2.75 0.10 0.00 0.21 0.00 0.00 52.86 50.55 1ot3 s ASN 64 Cb -0.12 -2.15 0.94 0.00 -0.55 0.00 0.00 41.25 39.38 1ot3 s ASN 64 CO 0.03 -0.53 2.03 -0.07 -2.79 0.00 0.00 177.10 175.77 1ot3 h LEU 65 N 7.61 0.25 -0.16 3.21 3.38 -1.25 -2.63 115.31 125.72 1ot3 h LEU 65 Ca 0.09 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1ot3 h LEU 65 Cb 1.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1ot3 h LEU 65 CO 0.75 0.26 0.07 0.25 0.09 0.00 0.00 178.44 179.87 1ot3 h LEU 66 N 0.28 0.11 0.09 1.67 5.85 -1.86 -0.09 115.31 121.35 1ot3 h LEU 66 Ca 0.07 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ot3 h LEU 66 Cb 0.12 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1ot3 h LEU 66 CO -0.00 0.09 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.06 1ot3 h GLU 67 N 0.16 -0.12 -0.82 1.25 4.57 -1.84 -2.22 114.58 115.57 1ot3 h GLU 67 Ca 0.06 0.01 0.16 0.00 -1.18 0.00 0.00 59.36 58.41 1ot3 h GLU 67 Cb 0.01 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 28.53 1ot3 h GLU 67 CO -0.05 0.23 0.37 -0.07 -1.18 0.00 0.00 179.01 178.31 1ot3 h LEU 68 N -0.48 0.39 -0.34 1.64 3.38 -1.43 0.06 115.31 118.54 1ot3 h LEU 68 Ca -0.01 0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 1ot3 h LEU 68 Cb 0.40 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1ot3 h LEU 68 CO 0.02 0.13 0.01 -0.03 0.09 0.00 0.00 178.44 178.66 1ot3 h MET 69 N 0.51 0.59 0.00 1.13 4.05 -0.94 -0.86 114.93 119.41 1ot3 h MET 69 Ca 0.46 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.69 1ot3 h MET 69 Cb 0.71 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1ot3 h MET 69 CO -0.41 0.71 -0.01 1.88 0.23 0.00 0.00 176.91 179.31 1ot3 h TYR 70 N 0.40 0.00 0.00 1.39 0.99 -0.51 -1.77 116.97 117.46 1ot3 h TYR 70 Ca 0.10 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.69 1ot3 h TYR 70 Cb 0.44 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 38.14 1ot3 h TYR 70 CO 0.04 0.01 -2.01 1.63 -0.00 0.00 0.00 178.16 177.83 1ot3 n LYS 71 N -3.12 0.66 -3.04 4.88 5.02 -0.14 -4.74 118.16 117.68 1ot3 n LYS 71 Ca -0.00 -0.08 -0.17 0.00 -2.02 0.00 0.00 58.31 56.04 1ot3 n LYS 71 Cb 0.28 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 1ot3 n LYS 71 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ot3 n ASP 72 N -2.51 -1.26 -0.06 4.39 2.03 -0.34 -5.02 116.55 113.79 1ot3 n ASP 72 Ca -0.14 -2.85 -0.08 0.00 0.52 0.00 0.00 54.79 52.23 1ot3 n ASP 72 Cb 0.79 0.38 -0.02 0.00 -0.72 0.00 0.00 41.12 41.56 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 4.36 -0.26 0.00 -0.67 0.11 -1.52 -1.13 132.00 132.88 1ot3 h PRO 73 Ca 0.03 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1ot3 h PRO 73 Cb 0.95 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1ot3 h PRO 73 CO 0.36 -0.17 0.27 0.87 -0.21 0.00 0.00 178.00 179.11 1ot3 h LYS 74 N -0.27 0.00 0.00 1.05 1.57 -1.88 0.18 116.57 117.22 1ot3 h LYS 74 Ca 0.14 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 1ot3 h LYS 74 Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1ot3 h LYS 74 CO -0.42 0.00 -1.60 1.17 -0.57 0.00 0.00 179.45 178.03 1ot3 n LYS 75 N -2.38 0.26 0.00 3.15 4.81 -0.71 -4.79 118.16 118.50 1ot3 n LYS 75 Ca -0.01 0.06 0.09 0.00 -0.87 0.00 0.00 58.31 57.58 1ot3 n LYS 75 Cb 0.30 -1.20 0.02 0.00 0.02 0.00 0.00 35.03 34.17 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 -2.83 0.00 -0.11 5.64 7.02 -0.51 -4.57 117.44 122.07 1ot3 n TRP 76 Ca -0.19 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.24 1ot3 n TRP 76 Cb 0.70 0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.61 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 3.17 0.40 0.61 6.99 0.00 -1.15 0.14 119.26 129.42 1ot3 h ALA 77 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1ot3 h ALA 77 Cb 0.64 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ot3 h ALA 77 CO 0.00 -0.34 -0.30 1.98 0.00 0.00 0.00 179.25 180.59 1ot3 h MET 78 N 0.18 -0.80 -0.99 0.00 -1.53 -1.80 0.13 114.93 110.12 1ot3 h MET 78 Ca 0.19 0.05 0.04 0.00 -3.44 0.00 0.00 59.70 56.54 1ot3 h MET 78 Cb 0.23 0.18 -0.06 0.00 -0.55 0.00 0.00 31.60 31.41 1ot3 h MET 78 CO -0.26 -0.48 0.65 -1.00 0.14 0.00 0.00 176.91 175.95 1ot3 h PRO 79 N -1.02 1.21 -0.17 0.39 0.13 -1.80 -0.63 132.00 130.10 1ot3 h PRO 79 Ca -0.08 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1ot3 h PRO 79 Cb 0.68 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1ot3 h PRO 79 CO 0.14 0.80 0.05 0.35 -0.23 0.00 0.00 178.00 179.11 1ot3 h PHE 80 N 1.24 0.28 0.00 1.56 3.57 -0.66 -1.55 116.94 121.39 1ot3 h PHE 80 Ca 0.40 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.78 1ot3 h PHE 80 Cb 0.01 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1ot3 h PHE 80 CO -0.00 0.38 -0.40 1.96 -2.23 0.00 0.00 178.31 178.02 1ot3 h GLN 81 N 0.10 0.00 -0.44 1.11 1.08 -0.47 -0.73 115.11 115.76 1ot3 h GLN 81 Ca 0.06 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 1ot3 h GLN 81 Cb 0.23 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1ot3 h GLN 81 CO -0.00 0.40 -0.11 1.03 -0.95 0.00 0.00 178.83 179.20 1ot3 h SER 82 N 0.00 0.86 0.13 1.46 0.87 -0.95 -1.51 113.55 114.42 1ot3 h SER 82 Ca -0.00 -0.36 -0.13 0.00 -1.23 0.00 0.00 61.79 60.06 1ot3 h SER 82 Cb 0.75 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1ot3 h SER 82 CO 0.05 1.03 -0.46 0.22 -0.53 0.00 0.00 176.83 177.14 1ot3 h TYR 83 N 0.69 0.48 -0.46 2.24 3.20 -0.82 -2.49 116.97 119.79 1ot3 h TYR 83 Ca 0.11 -0.15 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1ot3 h TYR 83 Cb 0.65 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1ot3 h TYR 83 CO 0.05 0.79 0.23 0.28 -1.64 0.00 0.00 178.16 177.86 1ot3 h VAL 84 N 0.32 1.18 -0.80 1.81 2.07 -0.87 -1.28 116.25 118.69 1ot3 h VAL 84 Ca 0.02 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1ot3 h VAL 84 Cb 0.94 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1ot3 h VAL 84 CO 0.08 0.20 0.53 0.74 0.02 0.00 0.00 177.57 179.14 1ot3 h THR 85 N 0.61 1.19 0.11 2.57 2.02 -1.06 -1.30 112.91 117.05 1ot3 h THR 85 Ca 0.16 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1ot3 h THR 85 Cb 0.11 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 1ot3 h THR 85 CO -0.02 0.19 -0.05 0.25 0.37 0.00 0.00 175.52 176.26 1ot3 h LEU 86 N 1.06 -0.13 -1.70 2.58 5.85 -0.96 -1.77 115.31 120.23 1ot3 h LEU 86 Ca 0.30 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1ot3 h LEU 86 Cb -0.09 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1ot3 h LEU 86 CO -0.07 0.11 -0.02 0.71 -0.34 0.00 0.00 178.44 178.83 1ot3 h THR 87 N -0.37 0.07 0.13 1.05 1.35 -1.02 -0.76 112.91 113.37 1ot3 h THR 87 Ca -0.02 -0.48 -0.28 0.00 -0.55 0.00 0.00 66.41 65.09 1ot3 h THR 87 Cb 0.31 1.44 0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1ot3 h THR 87 CO 0.03 0.02 -1.25 -0.03 -0.25 0.00 0.00 175.52 174.04 1ot3 h MET 88 N 0.00 0.31 -0.42 4.72 1.85 -1.06 -2.92 114.93 117.41 1ot3 h MET 88 Ca -0.00 -0.52 -0.11 0.00 -0.61 0.00 0.00 59.70 58.46 1ot3 h MET 88 Cb 0.44 0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.65 1ot3 h MET 88 CO 0.00 1.24 -0.18 -0.07 -0.40 0.00 0.00 176.91 177.50 1ot3 h LEU 89 N 0.09 0.90 -1.84 3.39 3.38 -0.35 0.48 115.31 121.36 1ot3 h LEU 89 Ca -0.14 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1ot3 h LEU 89 Cb 1.96 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.46 1ot3 h LEU 89 CO 0.21 1.09 -0.10 1.56 0.09 0.00 0.00 178.44 181.29 1ot3 h GLN 90 N 0.70 0.00 0.11 1.13 4.20 -1.22 -1.51 115.11 118.52 1ot3 h GLN 90 Ca 0.10 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.49 1ot3 h GLN 90 Cb 0.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1ot3 h GLN 90 CO 0.06 0.10 -1.61 1.03 -0.67 0.00 0.00 178.83 177.74 1ot3 h SER 91 N 0.00 0.38 0.79 1.46 0.87 -1.30 -2.46 113.55 113.29 1ot3 h SER 91 Ca -0.00 -0.57 -0.03 0.00 -1.23 0.00 0.00 61.79 59.95 1ot3 h SER 91 Cb 0.19 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1ot3 h SER 91 CO 0.01 1.48 -0.16 0.45 -0.53 0.00 0.00 176.83 178.09 1ot3 h HIS 92 N 0.07 0.00 -0.01 2.24 3.86 -0.27 -3.17 115.15 117.87 1ot3 h HIS 92 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1ot3 h HIS 92 Cb 2.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.49 1ot3 h HIS 92 CO 0.06 0.16 -0.03 0.25 0.86 0.00 0.00 177.93 179.23 1ot3 n THR 93 N -3.38 0.00 -1.69 2.45 -2.24 -0.63 -4.62 114.28 104.17 1ot3 n THR 93 Ca -0.00 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 1ot3 n THR 93 Cb 0.36 1.11 0.01 0.00 -2.10 0.00 0.00 70.33 69.70 1ot3 n THR 93 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ot3 n ALA 94 N 0.14 1.13 -1.79 6.98 0.00 -0.93 -4.93 120.51 121.12 1ot3 n ALA 94 Ca 0.03 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.41 1ot3 n ALA 94 Cb 0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1ot3 n ALA 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ot3 s PRO 95 N -2.06 4.11 0.02 0.00 0.04 -1.26 -4.98 135.00 130.88 1ot3 s PRO 95 Ca 0.59 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 1ot3 s PRO 95 Cb -0.54 -2.40 0.06 0.00 0.04 0.00 0.00 34.50 31.66 1ot3 s PRO 95 CO 0.59 -0.17 0.58 -0.08 0.04 0.00 0.00 177.00 177.97 1ot3 s THR 96 N -1.81 0.02 -1.79 1.26 -1.32 -1.26 -5.05 115.64 105.68 1ot3 s THR 96 Ca 0.60 -0.13 0.15 0.00 -1.21 0.00 0.00 61.69 61.10 1ot3 s THR 96 Cb -0.18 -0.97 0.10 0.00 -1.51 0.00 0.00 72.50 69.94 1ot3 s THR 96 CO 0.23 -0.07 0.95 0.59 -2.21 0.00 0.00 174.62 174.11 1ot3 n ASN 97 N 0.53 2.14 -4.81 8.08 3.02 -1.26 -4.93 115.26 118.04 1ot3 n ASN 97 Ca -0.19 -1.57 -0.32 0.00 -0.03 0.00 0.00 54.58 52.48 1ot3 n ASN 97 Cb 0.59 0.08 0.03 0.00 -0.61 0.00 0.00 39.78 39.87 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 -1.33 3.10 0.00 3.52 -0.14 -1.26 -4.98 119.74 118.65 1ot3 s LYS 98 Ca 0.17 1.12 0.26 0.00 -1.36 0.00 0.00 55.97 56.16 1ot3 s LYS 98 Cb 0.12 -2.01 0.66 0.00 -1.68 0.00 0.00 37.83 34.93 1ot3 s LYS 98 CO 0.22 -0.98 1.52 1.63 -0.76 0.00 0.00 175.35 176.98 1ot3 n LYS 99 N -2.51 0.03 -3.71 1.68 4.76 -1.26 -4.66 118.16 112.49 1ot3 n LYS 99 Ca 0.08 -0.02 -0.15 0.00 -2.87 0.00 0.00 58.31 55.36 1ot3 n LYS 99 Cb 0.53 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 32.07 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 -2.98 0.34 -0.08 -0.35 2.96 -1.26 -3.51 118.68 113.80 1ot3 s LEU 100 Ca 0.12 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 1ot3 s LEU 100 Cb 0.18 0.39 -0.02 0.00 0.50 0.00 0.00 46.19 47.24 1ot3 s LEU 100 CO 0.66 -0.19 -0.17 -0.75 -1.32 0.00 0.00 176.35 174.58 1ot3 s LYS 101 N 1.66 2.84 -0.15 1.98 2.20 0.54 -1.11 119.74 127.70 1ot3 s LYS 101 Ca -0.04 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1ot3 s LYS 101 Cb -0.12 -2.40 0.03 0.00 -1.51 0.00 0.00 37.83 33.83 1ot3 s LYS 101 CO -0.06 0.40 -0.12 0.42 -0.36 0.00 0.00 175.35 175.63 1ot3 s ILE 102 N -0.17 1.45 -0.03 5.43 1.01 0.23 0.12 121.20 129.24 1ot3 s ILE 102 Ca -0.01 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.06 1ot3 s ILE 102 Cb -0.14 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 1ot3 s ILE 102 CO 0.03 0.39 -0.13 -0.04 0.00 0.00 0.00 174.94 175.19 1ot3 s MET 103 N 1.53 2.49 -0.34 2.79 -1.94 0.82 -1.68 119.30 122.98 1ot3 s MET 103 Ca 0.04 -0.71 -0.18 0.00 -1.71 0.00 0.00 55.69 53.13 1ot3 s MET 103 Cb -0.13 -2.40 -0.01 0.00 2.01 0.00 0.00 34.83 34.30 1ot3 s MET 103 CO -0.10 0.62 0.50 -2.00 -0.01 0.00 0.00 175.02 174.03 1ot3 s GLU 104 N -0.91 3.67 0.25 2.03 2.12 -0.81 -0.29 118.70 124.76 1ot3 s GLU 104 Ca 0.13 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1ot3 s GLU 104 Cb -0.11 -3.79 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1ot3 s GLU 104 CO 0.02 -0.60 0.00 0.54 -0.54 0.00 0.00 175.26 174.68 1ot3 n ARG 105 N 5.69 -2.04 -2.37 4.30 5.12 0.15 -4.07 116.66 123.45 1ot3 n ARG 105 Ca -0.05 1.38 -0.02 0.00 -1.93 0.00 0.00 57.85 57.23 1ot3 n ARG 105 Cb 0.49 -2.48 0.01 0.00 -1.16 0.00 0.00 32.46 29.32 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 -3.34 -0.83 0.21 0.55 3.41 -1.26 -4.68 113.62 107.68 1ot3 n SER 106 Ca 0.00 -1.49 0.06 0.00 -0.26 0.00 0.00 58.87 57.18 1ot3 n SER 106 Cb 0.46 1.36 0.45 0.00 -0.26 0.00 0.00 64.21 66.21 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 1.42 0.97 -0.17 -1.33 2.10 -1.94 -2.94 117.51 115.62 1ot3 h ILE 107 Ca -0.13 -1.16 -0.06 0.00 1.08 0.00 0.00 64.86 64.60 1ot3 h ILE 107 Cb 0.52 1.67 -0.00 0.00 -1.09 0.00 0.00 36.82 37.91 1ot3 h ILE 107 CO 0.17 0.30 -0.13 -0.26 -1.08 0.00 0.00 178.15 177.15 1ot3 h PHE 108 N 0.00 0.46 -0.56 2.19 -1.00 -1.99 -1.81 116.94 114.23 1ot3 h PHE 108 Ca -0.00 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.63 1ot3 h PHE 108 Cb 0.65 -0.10 -0.03 0.00 3.61 0.00 0.00 35.95 40.08 1ot3 h PHE 108 CO 0.00 0.74 0.25 0.66 -1.61 0.00 0.00 178.31 178.35 1ot3 h SER 109 N 0.05 0.71 -0.42 2.17 4.64 -1.95 0.25 113.55 119.00 1ot3 h SER 109 Ca 0.03 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1ot3 h SER 109 Cb 0.64 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1ot3 h SER 109 CO 0.03 0.61 -0.06 0.00 -0.87 0.00 0.00 176.83 176.54 1ot3 h ALA 110 N 1.50 0.97 0.00 5.18 0.00 -1.37 -1.29 119.26 124.24 1ot3 h ALA 110 Ca 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ot3 h ALA 110 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ot3 h ALA 110 CO -0.02 0.62 -0.09 -0.09 0.00 0.00 0.00 179.25 179.67 1ot3 h ARG 111 N 0.78 0.00 0.00 0.00 2.43 -0.69 -0.95 114.38 115.95 1ot3 h ARG 111 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1ot3 h ARG 111 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1ot3 h ARG 111 CO 0.03 0.59 0.00 0.66 -1.51 0.00 0.00 179.97 179.75 1ot3 n TYR 112 N -4.66 0.24 0.00 2.20 0.53 0.81 -3.15 117.16 113.12 1ot3 n TYR 112 Ca -0.07 0.07 0.00 0.00 -1.02 0.00 0.00 57.90 56.88 1ot3 n TYR 112 Cb 0.31 -0.62 0.00 0.00 -1.03 0.00 0.00 39.34 38.00 1ot3 n TYR 112 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1ot3 h PHE 114 N 0.00 0.56 -0.16 0.00 -1.00 -1.56 0.46 116.94 115.24 1ot3 h PHE 114 Ca 0.00 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 1ot3 h PHE 114 Cb 0.00 -0.17 -0.00 0.00 3.61 0.00 0.00 35.95 39.39 1ot3 h PHE 114 CO 0.00 0.51 -0.12 0.28 -1.61 0.00 0.00 178.31 177.37 1ot3 h VAL 115 N 0.44 1.33 -0.83 -0.55 2.07 -1.31 -1.90 116.25 115.50 1ot3 h VAL 115 Ca 0.12 -1.24 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1ot3 h VAL 115 Cb 0.19 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 1ot3 h VAL 115 CO -0.01 0.37 0.52 -0.08 0.02 0.00 0.00 177.57 178.39 1ot3 h GLU 116 N 0.02 0.97 -0.65 1.57 4.57 -1.52 -1.01 114.58 118.53 1ot3 h GLU 116 Ca 0.03 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1ot3 h GLU 116 Cb 0.64 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 1ot3 h GLU 116 CO 0.03 0.64 0.28 -0.97 -1.18 0.00 0.00 179.01 177.82 1ot3 h ASN 117 N 1.00 0.88 0.61 1.04 -0.00 -0.79 -2.05 115.58 116.27 1ot3 h ASN 117 Ca 0.34 -0.16 -0.02 0.00 -0.00 0.00 0.00 56.30 56.47 1ot3 h ASN 117 Cb 0.07 -0.23 -0.00 0.00 -0.00 0.00 0.00 38.32 38.16 1ot3 h ASN 117 CO -0.14 0.80 -0.08 0.24 -0.00 0.00 0.00 177.43 178.25 1ot3 h MET 118 N 0.92 0.00 0.15 6.67 2.86 -0.48 -1.71 114.93 123.34 1ot3 h MET 118 Ca 0.22 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.56 1ot3 h MET 118 Cb 0.17 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.85 1ot3 h MET 118 CO -0.02 0.08 -1.29 -0.09 1.06 0.00 0.00 176.91 176.65 1ot3 h ARG 119 N 0.00 0.50 -0.13 1.72 2.43 -0.56 0.36 114.38 118.70 1ot3 h ARG 119 Ca -0.00 -0.74 -0.17 0.00 -0.81 0.00 0.00 59.98 58.26 1ot3 h ARG 119 Cb 0.40 0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1ot3 h ARG 119 CO 0.01 1.34 -0.64 0.00 -1.51 0.00 0.00 179.97 179.17 1ot3 h ARG 120 N 0.19 0.48 -0.36 0.20 3.08 -0.77 -3.19 114.38 114.01 1ot3 h ARG 120 Ca -0.19 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1ot3 h ARG 120 Cb 1.97 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.08 1ot3 h ARG 120 CO 0.23 0.96 0.00 0.27 -1.07 0.00 0.00 179.97 180.36 1ot3 n ASN 121 N -3.90 2.03 0.00 7.04 2.04 -0.70 -4.92 115.26 116.84 1ot3 n ASN 121 Ca -0.04 -1.96 0.00 0.00 -0.44 0.00 0.00 54.58 52.14 1ot3 n ASN 121 Cb 0.65 -0.24 0.00 0.00 -2.53 0.00 0.00 39.78 37.67 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 1.12 2.28 0.36 4.83 0.00 -1.21 -4.91 105.19 107.66 1ot3 n GLY 122 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 0.78 -3.53 1.61 0.02 -1.67 -3.37 113.55 107.39 1ot3 h SER 123 Ca 0.00 0.01 -0.71 0.00 -0.84 0.00 0.00 61.79 60.25 1ot3 h SER 123 Cb 0.00 -0.16 -0.28 0.00 0.14 0.00 0.00 62.40 62.10 1ot3 h SER 123 CO 0.00 0.50 -0.51 -0.76 -1.14 0.00 0.00 176.83 174.91 1ot3 s LEU 124 N -9.85 4.88 0.68 5.07 1.43 0.12 -3.77 118.68 117.24 1ot3 s LEU 124 Ca -0.11 -1.36 -0.16 0.00 -1.03 0.00 0.00 54.13 51.47 1ot3 s LEU 124 Cb 0.20 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.48 1ot3 s LEU 124 CO 0.79 -0.46 1.20 -1.61 0.23 0.00 0.00 176.35 176.49 1ot3 s GLU 125 N 1.42 2.45 0.32 1.70 2.02 -1.26 -4.53 118.70 120.82 1ot3 s GLU 125 Ca 0.02 1.75 0.08 0.00 0.02 0.00 0.00 54.97 56.84 1ot3 s GLU 125 Cb -0.22 -1.87 0.91 0.00 0.10 0.00 0.00 34.13 33.05 1ot3 s GLU 125 CO 0.03 -1.59 1.63 0.37 0.02 0.00 0.00 175.26 175.72 1ot3 h GLN 126 N 0.09 0.18 0.00 1.61 5.75 -1.95 0.21 115.11 121.01 1ot3 h GLN 126 Ca -0.48 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 57.92 1ot3 h GLN 126 Cb 1.29 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.79 1ot3 h GLN 126 CO 0.52 0.12 -0.43 0.78 -2.65 0.00 0.00 178.83 177.17 1ot3 h GLY 127 N 0.19 0.00 0.75 2.39 0.00 -1.99 -1.02 103.07 103.38 1ot3 h GLY 127 Ca 0.65 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.81 1ot3 h GLY 127 CO -0.69 0.00 -0.70 -0.33 0.00 0.00 0.00 176.54 174.82 1ot3 h MET 128 N 0.00 0.37 0.04 4.80 2.86 -1.01 -3.17 114.93 118.82 1ot3 h MET 128 Ca -0.00 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 1ot3 h MET 128 Cb 0.86 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1ot3 h MET 128 CO 0.06 1.16 -0.02 -0.92 1.06 0.00 0.00 176.91 178.25 1ot3 h TYR 129 N -0.21 -0.05 -0.84 -0.22 3.20 -0.97 -2.82 116.97 115.05 1ot3 h TYR 129 Ca -0.10 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 61.90 1ot3 h TYR 129 Cb 1.45 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.68 1ot3 h TYR 129 CO 0.17 0.13 0.55 -0.91 -1.64 0.00 0.00 178.16 176.45 1ot3 h ASN 130 N -0.22 0.61 -0.61 -2.11 2.35 -1.31 -0.64 115.58 113.64 1ot3 h ASN 130 Ca -0.01 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1ot3 h ASN 130 Cb 0.20 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1ot3 h ASN 130 CO 0.01 0.32 -0.01 0.74 -1.65 0.00 0.00 177.43 176.84 1ot3 h THR 131 N 0.65 1.27 -0.38 2.81 2.02 -1.49 -0.85 112.91 116.94 1ot3 h THR 131 Ca 0.42 -1.17 -0.08 0.00 0.77 0.00 0.00 66.41 66.35 1ot3 h THR 131 Cb 0.68 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1ot3 h THR 131 CO -0.17 0.42 -0.07 -0.07 0.37 0.00 0.00 175.52 176.00 1ot3 h LEU 132 N 0.98 0.73 -0.41 2.58 3.38 -0.93 -2.92 115.31 118.72 1ot3 h LEU 132 Ca 0.17 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1ot3 h LEU 132 Cb 0.57 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ot3 h LEU 132 CO 0.03 0.91 0.27 -0.33 0.09 0.00 0.00 178.44 179.41 1ot3 h GLU 133 N 0.54 0.53 -0.45 1.13 4.39 -0.97 -1.13 114.58 118.61 1ot3 h GLU 133 Ca 0.10 -0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.86 1ot3 h GLU 133 Cb 0.58 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.03 1ot3 h GLU 133 CO 0.03 0.35 -0.03 0.93 -1.16 0.00 0.00 179.01 179.14 1ot3 h GLU 134 N 0.55 0.08 -0.38 2.33 4.39 -1.11 0.19 114.58 120.62 1ot3 h GLU 134 Ca 0.15 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.88 1ot3 h GLU 134 Cb -0.06 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1ot3 h GLU 134 CO -0.04 0.05 0.18 -1.49 -1.16 0.00 0.00 179.01 176.56 1ot3 h TRP 135 N 0.08 0.34 -0.96 4.33 4.06 -1.25 -0.43 115.95 122.11 1ot3 h TRP 135 Ca 0.23 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.23 1ot3 h TRP 135 Cb 0.34 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.35 1ot3 h TRP 135 CO -0.32 0.17 0.63 1.88 -3.56 0.00 0.00 178.44 177.25 1ot3 h TYR 136 N 0.37 1.17 -0.69 0.49 0.99 0.02 0.50 116.97 119.83 1ot3 h TYR 136 Ca 0.16 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 60.85 1ot3 h TYR 136 Cb 0.08 -0.39 -0.03 0.00 1.00 0.00 0.00 36.73 37.39 1ot3 h TYR 136 CO -0.11 0.67 0.14 0.87 -0.00 0.00 0.00 178.16 179.73 1ot3 h LYS 137 N 1.21 1.12 -0.06 4.88 1.57 0.47 -1.12 116.57 124.63 1ot3 h LYS 137 Ca 0.39 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1ot3 h LYS 137 Cb 0.02 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1ot3 h LYS 137 CO -0.12 1.00 -0.06 0.35 -0.57 0.00 0.00 179.45 180.05 1ot3 h PHE 138 N 1.05 0.17 -0.81 -1.35 3.57 -0.39 -3.08 116.94 116.10 1ot3 h PHE 138 Ca 0.21 -0.05 0.15 0.00 3.53 0.00 0.00 57.97 61.81 1ot3 h PHE 138 Cb 0.41 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 1ot3 h PHE 138 CO 0.03 0.59 0.53 0.82 -2.23 0.00 0.00 178.31 178.06 1ot3 h ILE 139 N -0.30 0.79 0.00 1.41 2.04 0.13 -0.02 117.51 121.56 1ot3 h ILE 139 Ca 0.01 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ot3 h ILE 139 Cb 0.57 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1ot3 h ILE 139 CO 0.01 0.09 0.00 1.21 0.00 0.00 0.00 178.15 179.46 1ot3 n GLU 140 N -4.50 0.07 0.00 2.37 2.13 -0.44 -1.11 120.64 119.16 1ot3 n GLU 140 Ca 0.16 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.32 1ot3 n GLU 140 Cb 0.53 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.60 1ot3 n GLU 140 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1ot3 n GLU 141 N -1.77 -0.64 0.00 5.31 0.28 -0.07 -4.74 120.64 119.01 1ot3 n GLU 141 Ca 0.03 -0.43 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 1ot3 n GLU 141 Cb 0.17 -0.92 0.00 0.00 1.43 0.00 0.00 31.44 32.12 1ot3 n GLU 141 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1ot3 n SER 142 N -0.03 4.54 -4.40 -1.84 3.41 -0.91 -4.80 113.62 109.58 1ot3 n SER 142 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 1ot3 n SER 142 Cb 0.03 0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 1ot3 n SER 142 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1ot3 s ILE 143 N -1.89 2.92 -0.12 -1.33 1.09 -0.27 0.00 121.20 121.61 1ot3 s ILE 143 Ca 0.00 -0.74 -0.24 0.00 -1.10 0.00 0.00 60.65 58.57 1ot3 s ILE 143 Cb 0.00 -2.17 -0.03 0.00 -1.06 0.00 0.00 42.46 39.20 1ot3 s ILE 143 CO 0.00 0.56 0.74 -2.28 -0.10 0.00 0.00 174.94 173.86 1ot3 s HIS 144 N -0.13 3.49 -0.26 3.97 5.65 0.13 -4.65 115.29 123.49 1ot3 s HIS 144 Ca -0.02 1.21 0.03 0.00 0.25 0.00 0.00 55.06 56.53 1ot3 s HIS 144 Cb -0.14 -2.89 0.06 0.00 -1.18 0.00 0.00 32.58 28.44 1ot3 s HIS 144 CO 0.04 -0.07 -0.10 0.08 -0.65 0.00 0.00 174.74 174.03 1ot3 s VAL 145 N 1.46 2.13 0.03 0.89 1.01 -1.26 -4.76 120.40 119.90 1ot3 s VAL 145 Ca 0.37 -1.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 1ot3 s VAL 145 Cb -0.17 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1ot3 s VAL 145 CO 0.15 -0.05 1.11 -1.58 0.00 0.00 0.00 175.10 174.73 1ot3 s GLN 146 N 1.11 4.47 -0.39 2.72 2.00 -1.26 -5.00 119.66 123.31 1ot3 s GLN 146 Ca -0.08 1.62 0.06 0.00 -2.00 0.00 0.00 55.36 54.96 1ot3 s GLN 146 Cb -0.20 -3.41 0.17 0.00 0.80 0.00 0.00 33.01 30.37 1ot3 s GLN 146 CO -0.05 -0.19 0.54 0.00 -0.50 0.00 0.00 175.29 175.08 1ot3 s ALA 147 N 1.15 -1.68 -0.11 1.58 0.00 -1.26 -4.85 121.76 116.58 1ot3 s ALA 147 Ca 0.56 -0.17 0.17 0.00 0.00 0.00 0.00 51.96 52.51 1ot3 s ALA 147 Cb -0.26 -2.48 -0.20 0.00 0.00 0.00 0.00 23.12 20.18 1ot3 s ALA 147 CO 0.28 -2.17 0.59 -0.25 0.00 0.00 0.00 175.76 174.20 1ot3 n ASP 148 N 4.40 0.60 -3.74 0.00 8.00 -0.82 -4.59 116.55 120.39 1ot3 n ASP 148 Ca 0.11 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.74 1ot3 n ASP 148 Cb 0.53 0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 41.98 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 -5.68 0.60 -0.11 0.64 2.96 -0.98 -4.08 118.68 112.03 1ot3 s LEU 149 Ca -0.05 0.58 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1ot3 s LEU 149 Cb 0.08 1.33 0.01 0.00 0.50 0.00 0.00 46.19 48.11 1ot3 s LEU 149 CO 0.83 -0.23 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.81 1ot3 s ILE 150 N -0.25 1.77 -0.35 6.68 1.01 -0.75 -0.51 121.20 128.81 1ot3 s ILE 150 Ca -0.04 -0.82 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 1ot3 s ILE 150 Cb -0.03 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.88 1ot3 s ILE 150 CO 0.02 0.50 0.17 -0.63 0.00 0.00 0.00 174.94 174.99 1ot3 s ILE 151 N 0.76 4.44 -0.32 2.92 1.01 0.70 0.32 121.20 131.03 1ot3 s ILE 151 Ca -0.10 -0.76 -0.15 0.00 0.00 0.00 0.00 60.65 59.65 1ot3 s ILE 151 Cb -0.16 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1ot3 s ILE 151 CO 0.01 -0.12 0.34 -0.47 0.00 0.00 0.00 174.94 174.70 1ot3 s TYR 152 N 1.55 3.22 -1.08 3.97 5.04 0.10 -1.30 117.35 128.85 1ot3 s TYR 152 Ca 0.02 0.08 -0.15 0.00 -2.44 0.00 0.00 57.07 54.59 1ot3 s TYR 152 Cb -0.18 -2.61 0.17 0.00 0.35 0.00 0.00 41.96 39.69 1ot3 s TYR 152 CO 0.06 -0.35 1.26 -0.51 -1.34 0.00 0.00 175.55 174.67 1ot3 s LEU 153 N 1.99 5.26 0.12 6.97 1.43 -0.05 -0.42 118.68 133.98 1ot3 s LEU 153 Ca 0.12 -2.70 -0.31 0.00 -1.03 0.00 0.00 54.13 50.21 1ot3 s LEU 153 Cb -0.16 -2.37 -0.07 0.00 0.03 0.00 0.00 46.19 43.61 1ot3 s LEU 153 CO 0.11 -0.81 1.27 -0.60 0.23 0.00 0.00 176.35 176.55 1ot3 s ARG 154 N 1.65 4.41 0.04 1.70 3.52 -0.44 -4.51 118.95 125.32 1ot3 s ARG 154 Ca 0.37 1.92 -0.09 0.00 -0.13 0.00 0.00 55.73 57.79 1ot3 s ARG 154 Cb -0.04 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1ot3 s ARG 154 CO -0.04 -0.28 0.19 0.95 -0.81 0.00 0.00 175.30 175.31 1ot3 s THR 155 N 0.73 0.11 0.38 4.11 -4.23 -1.26 -1.77 115.64 113.71 1ot3 s THR 155 Ca 0.59 -0.92 -0.22 0.00 -1.18 0.00 0.00 61.69 59.96 1ot3 s THR 155 Cb -0.33 -0.93 -0.10 0.00 1.34 0.00 0.00 72.50 72.48 1ot3 s THR 155 CO 0.32 -0.51 0.93 -0.94 -0.54 0.00 0.00 174.62 173.88 1ot3 s SER 156 N -2.12 7.08 0.32 3.99 1.04 -1.26 -4.92 113.70 117.83 1ot3 s SER 156 Ca -0.05 1.71 0.06 0.00 0.48 0.00 0.00 55.95 58.15 1ot3 s SER 156 Cb -0.01 -2.54 0.71 0.00 0.10 0.00 0.00 66.02 64.29 1ot3 s SER 156 CO -0.04 -0.23 1.85 -0.65 0.98 0.00 0.00 173.24 175.15 1ot3 h PRO 157 N 2.45 0.79 0.02 4.02 0.11 -1.97 -1.88 132.00 135.55 1ot3 h PRO 157 Ca -0.48 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.59 1ot3 h PRO 157 Cb 1.18 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ot3 h PRO 157 CO 0.63 0.52 -0.06 0.93 -0.21 0.00 0.00 178.00 179.81 1ot3 h GLU 158 N 0.81 -0.11 -0.71 1.05 3.07 -1.94 0.55 114.58 117.30 1ot3 h GLU 158 Ca 0.48 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.34 1ot3 h GLU 158 Cb 0.66 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 1ot3 h GLU 158 CO -0.25 -0.08 0.42 0.28 -1.40 0.00 0.00 179.01 177.99 1ot3 h VAL 159 N -0.12 1.21 -0.25 3.13 2.07 -1.81 -0.80 116.25 119.68 1ot3 h VAL 159 Ca 0.02 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ot3 h VAL 159 Cb 0.14 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1ot3 h VAL 159 CO -0.05 0.22 0.13 0.00 0.02 0.00 0.00 177.57 177.90 1ot3 h ALA 160 N 1.22 0.31 -0.34 1.67 0.00 -0.88 -1.43 119.26 119.80 1ot3 h ALA 160 Ca 0.25 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1ot3 h ALA 160 Cb -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1ot3 h ALA 160 CO -0.05 -0.15 0.02 -0.92 0.00 0.00 0.00 179.25 178.15 1ot3 h TYR 161 N 0.28 0.03 -0.63 0.00 3.20 0.52 -2.19 116.97 118.18 1ot3 h TYR 161 Ca 0.09 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 1ot3 h TYR 161 Cb 0.07 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1ot3 h TYR 161 CO -0.03 -0.04 0.35 1.49 -1.64 0.00 0.00 178.16 178.29 1ot3 h GLU 162 N 0.13 0.86 -0.39 1.82 4.57 -0.86 -1.96 114.58 118.74 1ot3 h GLU 162 Ca 0.16 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1ot3 h GLU 162 Cb 0.21 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1ot3 h GLU 162 CO -0.26 0.63 0.05 -0.09 -1.18 0.00 0.00 179.01 178.16 1ot3 h ARG 163 N 0.87 0.60 -0.07 1.92 2.43 -0.66 -1.54 114.38 117.94 1ot3 h ARG 163 Ca 0.22 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 1ot3 h ARG 163 Cb 0.01 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1ot3 h ARG 163 CO -0.04 0.59 -0.60 0.82 -1.51 0.00 0.00 179.97 179.23 1ot3 h ILE 164 N 0.58 1.39 -0.00 1.20 2.04 -0.94 -3.26 117.51 118.52 1ot3 h ILE 164 Ca 0.13 -1.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.01 1ot3 h ILE 164 Cb 0.30 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1ot3 h ILE 164 CO 0.01 0.58 -0.01 -0.09 0.00 0.00 0.00 178.15 178.64 1ot3 h ARG 165 N 0.17 0.01 -1.06 2.37 2.43 -0.81 -3.19 114.38 114.29 1ot3 h ARG 165 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ot3 h ARG 165 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1ot3 h ARG 165 CO 0.09 0.57 0.00 1.04 -1.51 0.00 0.00 179.97 180.16 1ot3 n GLN 166 N -4.81 0.88 -4.16 0.20 6.02 -0.64 -4.77 117.38 110.10 1ot3 n GLN 166 Ca -0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.75 1ot3 n GLN 166 Cb 0.29 -1.16 -0.11 0.00 1.02 0.00 0.00 30.24 30.27 1ot3 n GLN 166 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1ot3 s ARG 167 N -0.17 0.79 0.07 -1.09 3.52 -1.21 -5.04 118.95 115.82 1ot3 s ARG 167 Ca 0.00 -1.04 -0.37 0.00 -0.13 0.00 0.00 55.73 54.20 1ot3 s ARG 167 Cb 0.00 -0.57 -0.16 0.00 -1.56 0.00 0.00 34.95 32.66 1ot3 s ARG 167 CO 0.00 0.10 1.39 0.00 -0.81 0.00 0.00 175.30 175.99 1ot3 n ALA 168 N 0.89 -0.65 -1.37 6.12 0.00 -1.26 -4.87 120.51 119.38 1ot3 n ALA 168 Ca -0.18 0.50 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 1ot3 n ALA 168 Cb 0.56 -2.12 0.08 0.00 0.00 0.00 0.00 19.45 17.97 1ot3 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1ot3 n ARG 169 N 2.81 0.51 -3.15 0.00 1.74 -1.26 -5.00 116.66 112.31 1ot3 n ARG 169 Ca 0.19 0.22 -0.07 0.00 -0.77 0.00 0.00 57.85 57.42 1ot3 n ARG 169 Cb 0.20 -2.13 0.02 0.00 -1.02 0.00 0.00 32.46 29.53 1ot3 n ARG 169 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1ot3 n SER 170 N -1.29 -1.78 -0.31 0.55 3.41 -1.26 -5.00 113.62 107.93 1ot3 n SER 170 Ca 0.13 -2.23 0.11 0.00 -0.26 0.00 0.00 58.87 56.62 1ot3 n SER 170 Cb 0.49 2.96 0.33 0.00 -0.26 0.00 0.00 64.21 67.73 1ot3 n SER 170 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ot3 h GLU 171 N 0.00 0.77 0.00 4.33 3.07 -1.97 -1.82 114.58 118.96 1ot3 h GLU 171 Ca -0.26 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1ot3 h GLU 171 Cb 0.96 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1ot3 h GLU 171 CO 0.33 0.51 0.00 1.05 -1.40 0.00 0.00 179.01 179.50 1ot3 h GLU 172 N 0.79 0.00 0.00 2.33 4.11 -1.96 -3.31 114.58 116.54 1ot3 h GLU 172 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1ot3 h GLU 172 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ot3 h GLU 172 CO -0.25 0.00 0.21 -1.13 0.07 0.00 0.00 179.01 177.91 1ot3 n SER 173 N -2.62 0.42 -0.69 3.06 3.41 -0.69 -0.78 113.62 115.72 1ot3 n SER 173 Ca 0.04 0.63 0.09 0.00 -0.26 0.00 0.00 58.87 59.37 1ot3 n SER 173 Cb 0.41 -0.61 0.29 0.00 -0.26 0.00 0.00 64.21 64.03 1ot3 n SER 173 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ot3 s VAL 175 N -1.64 4.12 0.77 0.00 -7.23 0.04 -5.00 120.40 111.45 1ot3 s VAL 175 Ca 0.31 1.45 -0.14 0.00 -1.81 0.00 0.00 61.98 61.79 1ot3 s VAL 175 Cb 0.17 -3.93 0.06 0.00 0.56 0.00 0.00 36.38 33.24 1ot3 s VAL 175 CO 0.24 -0.01 1.19 -2.84 -0.31 0.00 0.00 175.10 173.36 1ot3 s PRO 176 N 2.36 1.94 0.51 4.82 0.02 -1.26 -4.91 135.00 138.48 1ot3 s PRO 176 Ca 0.58 1.67 0.21 0.00 0.02 0.00 0.00 61.00 63.48 1ot3 s PRO 176 Cb -0.26 -1.82 1.34 0.00 0.02 0.00 0.00 34.50 33.77 1ot3 s PRO 176 CO 0.23 -1.97 2.10 1.25 -0.33 0.00 0.00 177.00 178.28 1ot3 h LEU 177 N -0.65 0.00 -0.73 -5.54 5.85 -1.98 -2.32 115.31 109.94 1ot3 h LEU 177 Ca -0.46 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.12 1ot3 h LEU 177 Cb 1.28 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1ot3 h LEU 177 CO 0.48 0.10 -0.62 0.50 -0.34 0.00 0.00 178.44 178.56 1ot3 h LYS 178 N 0.00 0.07 -0.39 1.25 3.64 -1.99 -2.14 116.57 117.00 1ot3 h LYS 178 Ca -0.00 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1ot3 h LYS 178 Cb 0.20 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1ot3 h LYS 178 CO 0.01 0.66 -0.36 -0.92 -2.27 0.00 0.00 179.45 176.58 1ot3 h TYR 179 N 0.05 1.08 -0.23 1.91 3.20 -1.78 -1.80 116.97 119.40 1ot3 h TYR 179 Ca -0.01 -0.31 -0.10 0.00 3.14 0.00 0.00 58.73 61.45 1ot3 h TYR 179 Cb 1.10 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1ot3 h TYR 179 CO 0.01 1.13 -0.30 -0.07 -1.64 0.00 0.00 178.16 177.28 1ot3 h LEU 180 N 0.75 0.48 -0.81 2.82 3.38 -1.41 -1.97 115.31 118.56 1ot3 h LEU 180 Ca 0.07 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 1ot3 h LEU 180 Cb 0.94 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1ot3 h LEU 180 CO 0.09 0.76 0.06 1.56 0.09 0.00 0.00 178.44 181.00 1ot3 h GLN 181 N 0.41 0.96 -0.35 1.13 4.20 -1.06 0.47 115.11 120.85 1ot3 h GLN 181 Ca 0.05 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 1ot3 h GLN 181 Cb 0.74 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 1ot3 h GLN 181 CO 0.06 0.91 0.03 0.93 -0.67 0.00 0.00 178.83 180.09 1ot3 h GLU 182 N 0.89 0.60 -0.47 1.46 5.08 -1.06 -2.33 114.58 118.76 1ot3 h GLU 182 Ca 0.18 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1ot3 h GLU 182 Cb 0.44 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1ot3 h GLU 182 CO 0.02 0.69 0.07 -0.07 -1.00 0.00 0.00 179.01 178.72 1ot3 h LEU 183 N 0.43 0.68 0.12 1.33 3.38 -1.06 -2.26 115.31 117.92 1ot3 h LEU 183 Ca 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ot3 h LEU 183 Cb 0.40 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1ot3 h LEU 183 CO 0.01 0.70 -0.06 -0.74 0.09 0.00 0.00 178.44 178.44 1ot3 h HIS 184 N 0.70 -0.15 -0.80 1.13 2.76 -0.63 -2.12 115.15 116.03 1ot3 h HIS 184 Ca 0.15 -0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 1ot3 h HIS 184 Cb 0.32 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.28 1ot3 h HIS 184 CO 0.02 -0.06 0.51 0.93 -1.30 0.00 0.00 177.93 178.02 1ot3 h GLU 185 N -0.20 0.94 0.00 5.26 4.39 -1.18 -0.97 114.58 122.81 1ot3 h GLU 185 Ca -0.02 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.57 1ot3 h GLU 185 Cb 0.16 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1ot3 h GLU 185 CO 0.03 0.62 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.16 1ot3 h LEU 186 N 0.97 0.00 -0.06 1.33 3.38 -1.28 0.13 115.31 119.79 1ot3 h LEU 186 Ca 0.33 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.11 1ot3 h LEU 186 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ot3 h LEU 186 CO -0.13 0.28 -0.70 0.45 0.09 0.00 0.00 178.44 178.43 1ot3 h HIS 187 N 0.00 0.83 -0.47 1.13 3.86 -0.62 -2.79 115.15 117.09 1ot3 h HIS 187 Ca -0.00 -0.41 -0.01 0.00 -1.16 0.00 0.00 60.37 58.79 1ot3 h HIS 187 Cb 0.52 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.85 1ot3 h HIS 187 CO 0.00 1.22 0.24 0.93 0.86 0.00 0.00 177.93 181.18 1ot3 h GLU 188 N 0.20 0.66 0.00 2.45 4.39 -0.80 0.31 114.58 121.79 1ot3 h GLU 188 Ca -0.07 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 1ot3 h GLU 188 Cb 1.36 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 1ot3 h GLU 188 CO 0.14 0.54 -0.15 -0.44 -1.16 0.00 0.00 179.01 177.95 1ot3 h ASP 189 N 0.61 0.00 0.08 1.42 3.32 -0.78 0.94 116.42 122.01 1ot3 h ASP 189 Ca 0.16 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.90 1ot3 h ASP 189 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1ot3 h ASP 189 CO -0.02 0.15 -1.71 -0.25 -1.72 0.00 0.00 179.24 175.69 1ot3 h TRP 190 N 0.00 0.32 0.00 4.55 7.01 -1.15 -2.99 115.95 123.68 1ot3 h TRP 190 Ca -0.00 -0.23 0.00 0.00 2.11 0.00 0.00 58.89 60.77 1ot3 h TRP 190 Cb 0.42 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.46 1ot3 h TRP 190 CO 0.00 1.67 -1.60 1.28 -2.79 0.00 0.00 178.44 177.00 1ot3 n LEU 191 N -3.85 0.33 -0.01 0.65 4.77 0.10 -4.08 117.00 114.92 1ot3 n LEU 191 Ca -0.32 -0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 55.62 1ot3 n LEU 191 Cb 0.91 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1ot3 n LEU 191 CO 0.34 0.02 -0.06 -0.38 -1.33 0.00 0.00 177.39 175.98 1ot3 n ILE 192 N -2.15 0.23 1.34 -0.08 2.08 0.19 -4.64 119.36 116.32 1ot3 n ILE 192 Ca -0.02 0.29 0.00 0.00 0.56 0.00 0.00 62.75 63.58 1ot3 n ILE 192 Cb 0.51 -1.41 0.02 0.00 -0.75 0.00 0.00 39.64 38.01 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 -2.76 0.00 -0.88 1.39 8.25 -0.38 -5.02 115.22 115.82 1ot3 n HIS 193 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.52 1ot3 n HIS 193 Cb 0.05 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 1ot3 n HIS 193 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1ot3 n GLN 194 N -0.52 -1.32 0.00 -0.41 7.27 -1.13 -4.92 117.38 116.35 1ot3 n GLN 194 Ca 0.01 1.06 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1ot3 n GLN 194 Cb 0.00 -1.85 0.00 0.00 2.41 0.00 0.00 30.24 30.80 1ot3 n GLN 194 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ot3 s LYS 201 N 0.00 3.41 -0.18 0.00 -0.14 -1.26 -4.88 119.74 116.70 1ot3 s LYS 201 Ca 0.00 1.72 0.01 0.00 -1.36 0.00 0.00 55.97 56.34 1ot3 s LYS 201 Cb 0.00 -2.12 0.02 0.00 -1.68 0.00 0.00 37.83 34.05 1ot3 s LYS 201 CO 0.00 -0.82 -0.19 0.08 -0.76 0.00 0.00 175.35 173.66 1ot3 s VAL 202 N -1.66 2.01 -0.23 3.17 1.01 -1.26 -1.80 120.40 121.64 1ot3 s VAL 202 Ca 0.71 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.58 1ot3 s VAL 202 Cb -0.27 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1ot3 s VAL 202 CO 0.31 0.50 0.42 -0.76 0.00 0.00 0.00 175.10 175.57 1ot3 s LEU 203 N 1.30 4.10 -0.28 3.92 1.02 0.15 -4.94 118.68 123.95 1ot3 s LEU 203 Ca 0.04 0.46 -0.14 0.00 0.02 0.00 0.00 54.13 54.52 1ot3 s LEU 203 Cb -0.13 -2.53 -0.04 0.00 0.02 0.00 0.00 46.19 43.51 1ot3 s LEU 203 CO -0.12 -0.15 0.32 -0.69 0.02 0.00 0.00 176.35 175.72 1ot3 s VAL 204 N 1.72 5.22 0.10 -1.59 1.01 -1.26 0.02 120.40 125.61 1ot3 s VAL 204 Ca 0.19 0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.61 1ot3 s VAL 204 Cb -0.15 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1ot3 s VAL 204 CO 0.09 0.16 -0.08 -0.76 0.00 0.00 0.00 175.10 174.51 1ot3 s LEU 205 N 1.97 3.15 -0.78 3.92 1.43 0.44 -4.98 118.68 123.82 1ot3 s LEU 205 Ca 0.12 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 1ot3 s LEU 205 Cb -0.16 -1.92 0.13 0.00 0.03 0.00 0.00 46.19 44.27 1ot3 s LEU 205 CO 0.10 0.18 0.94 -0.62 0.23 0.00 0.00 176.35 177.19 1ot3 s ASP 206 N -2.20 6.45 -0.44 2.29 3.68 -1.26 -1.33 116.67 123.87 1ot3 s ASP 206 Ca 0.22 -1.80 0.01 0.00 2.13 0.00 0.00 52.55 53.12 1ot3 s ASP 206 Cb -0.11 -2.35 0.48 0.00 -1.45 0.00 0.00 42.92 39.49 1ot3 s ASP 206 CO 0.15 -1.07 1.86 0.00 0.13 0.00 0.00 175.17 176.23 1ot3 n ALA 207 N 6.33 5.37 1.31 3.66 0.00 -0.73 -4.99 120.51 131.47 1ot3 n ALA 207 Ca 0.09 -2.55 0.13 0.00 0.00 0.00 0.00 53.44 51.11 1ot3 n ALA 207 Cb 0.46 -1.47 0.36 0.00 0.00 0.00 0.00 19.45 18.81 1ot3 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25