#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 2.32 0.21 -0.78 1.02 -1.26 -5.01 119.74 116.24 1ot3 s LYS 13 Ca 0.00 1.09 -0.26 0.00 0.02 0.00 0.00 55.97 56.83 1ot3 s LYS 13 Cb 0.00 -1.91 -0.09 0.00 -0.52 0.00 0.00 37.83 35.32 1ot3 s LYS 13 CO 0.00 -1.58 0.83 -0.47 -0.92 0.00 0.00 175.35 173.21 1ot3 s TYR 14 N -2.94 3.86 -1.27 3.18 5.04 -1.26 -3.85 117.35 120.11 1ot3 s TYR 14 Ca 0.61 1.68 -0.05 0.00 -2.44 0.00 0.00 57.07 56.87 1ot3 s TYR 14 Cb -0.17 -2.82 0.04 0.00 0.35 0.00 0.00 41.96 39.36 1ot3 s TYR 14 CO 0.56 0.43 0.35 0.00 -1.34 0.00 0.00 175.55 175.55 1ot3 n ALA 15 N 1.29 -0.95 -2.33 3.97 0.00 -1.26 -3.18 120.51 118.04 1ot3 n ALA 15 Ca -0.03 0.13 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 1ot3 n ALA 15 Cb 0.49 -2.57 -0.05 0.00 0.00 0.00 0.00 19.45 17.31 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 -5.63 4.44 0.00 0.00 2.12 -1.25 -3.92 118.70 114.46 1ot3 s GLU 16 Ca 0.25 0.98 0.00 0.00 0.36 0.00 0.00 54.97 56.56 1ot3 s GLU 16 Cb -0.13 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.93 1ot3 s GLU 16 CO 0.31 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.82 1ot3 n GLY 17 N 2.21 2.17 0.66 -1.50 0.00 -1.26 -4.78 105.19 102.68 1ot3 n GLY 17 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 0.26 -3.99 2.61 -2.24 -1.25 -4.68 114.28 104.99 1ot3 n THR 18 Ca 0.00 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.49 1ot3 n THR 18 Cb 0.00 -0.58 -0.16 0.00 -2.10 0.00 0.00 70.33 67.49 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 -0.63 2.05 0.00 -0.78 -1.52 -1.26 -4.39 119.66 113.13 1ot3 s GLN 19 Ca 0.00 -0.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.86 1ot3 s GLN 19 Cb 0.00 -2.07 0.00 0.00 -0.22 0.00 0.00 33.01 30.72 1ot3 s GLN 19 CO 0.00 -0.29 0.00 -0.35 -0.25 0.00 0.00 175.29 174.40 1ot3 n PRO 20 N 4.79 0.12 -1.73 2.91 -0.04 -1.26 -4.95 135.00 134.85 1ot3 n PRO 20 Ca -0.15 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 1ot3 n PRO 20 Cb 0.49 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.56 2.79 -4.67 0.54 7.35 -1.17 -4.81 117.46 115.93 1ot3 n PHE 21 Ca 0.00 0.18 -0.25 0.00 -0.76 0.00 0.00 57.45 56.62 1ot3 n PHE 21 Cb 0.00 -2.62 -0.17 0.00 0.35 0.00 0.00 39.48 37.05 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 0.43 1.24 -0.14 -2.13 2.01 -1.26 -0.16 115.64 115.63 1ot3 s THR 22 Ca 0.68 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 62.11 1ot3 s THR 22 Cb -0.51 -1.12 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 1ot3 s THR 22 CO 0.43 0.38 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.97 1ot3 s VAL 23 N 0.54 3.56 -0.10 3.82 1.01 0.28 -1.74 120.40 127.78 1ot3 s VAL 23 Ca -0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1ot3 s VAL 23 Cb -0.15 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1ot3 s VAL 23 CO 0.04 0.51 0.04 -0.76 0.00 0.00 0.00 175.10 174.93 1ot3 s LEU 24 N 0.26 3.78 -0.38 3.92 1.43 0.57 -1.54 118.68 126.71 1ot3 s LEU 24 Ca -0.05 0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.20 1ot3 s LEU 24 Cb -0.15 -1.88 0.07 0.00 0.03 0.00 0.00 46.19 44.26 1ot3 s LEU 24 CO 0.04 0.37 0.18 -0.63 0.23 0.00 0.00 176.35 176.54 1ot3 s ILE 25 N -0.84 3.76 0.14 -0.59 -1.09 -0.62 0.90 121.20 122.86 1ot3 s ILE 25 Ca 0.13 -1.48 0.06 0.00 -2.23 0.00 0.00 60.65 57.13 1ot3 s ILE 25 Cb -0.12 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1ot3 s ILE 25 CO 0.03 -0.42 0.03 -1.61 -1.23 0.00 0.00 174.94 171.73 1ot3 s GLU 26 N 1.33 2.57 0.00 2.79 0.41 -0.57 -0.85 118.70 124.38 1ot3 s GLU 26 Ca 0.02 -0.96 0.00 0.00 -0.41 0.00 0.00 54.97 53.62 1ot3 s GLU 26 Cb -0.22 -2.48 0.00 0.00 -1.78 0.00 0.00 34.13 29.65 1ot3 s GLU 26 CO 0.00 0.49 0.00 0.41 -0.49 0.00 0.00 175.26 175.67 1ot3 n GLY 27 N 0.05 1.32 3.80 -1.39 0.00 -1.26 -1.23 105.19 106.48 1ot3 n GLY 27 Ca -0.10 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 4.83 0.08 1.61 2.47 -1.26 -4.93 114.94 117.74 1ot3 s ASN 28 Ca 0.00 1.49 -0.34 0.00 0.42 0.00 0.00 52.86 54.43 1ot3 s ASN 28 Cb 0.00 -2.28 -0.13 0.00 -1.45 0.00 0.00 41.25 37.39 1ot3 s ASN 28 CO 0.00 -1.78 1.70 -0.38 -3.72 0.00 0.00 177.10 172.92 1ot3 n ILE 29 N -3.33 0.22 -2.53 -5.21 5.41 -1.26 -2.41 119.36 110.25 1ot3 n ILE 29 Ca 0.07 -0.04 -0.06 0.00 1.00 0.00 0.00 62.75 63.72 1ot3 n ILE 29 Cb 0.55 -1.70 0.03 0.00 -0.71 0.00 0.00 39.64 37.81 1ot3 n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ot3 n GLY 30 N 3.81 0.20 0.38 7.39 0.00 -1.26 -4.75 105.19 110.96 1ot3 n GLY 30 Ca 0.19 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.52 2.53 0.00 1.61 3.41 -1.01 -4.34 113.62 114.29 1ot3 n SER 31 Ca -0.09 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 1ot3 n SER 31 Cb 0.55 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 0.12 0.61 0.18 5.00 0.00 -1.26 -4.93 105.19 104.91 1ot3 n GLY 32 Ca 0.07 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 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 0.58 -0.39 1.61 1.57 -1.93 -2.25 116.57 115.75 1ot3 h LYS 33 Ca 0.00 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1ot3 h LYS 33 Cb 0.66 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1ot3 h LYS 33 CO 0.00 1.00 0.22 1.15 -0.57 0.00 0.00 179.45 181.25 1ot3 h THR 34 N 0.23 1.14 0.17 -0.16 2.02 -1.99 -2.08 112.91 112.24 1ot3 h THR 34 Ca 0.00 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1ot3 h THR 34 Cb 0.99 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1ot3 h THR 34 CO 0.09 0.14 -0.08 0.74 0.37 0.00 0.00 175.52 176.77 1ot3 h THR 35 N 0.51 0.91 -0.65 3.16 2.02 -1.99 -3.07 112.91 113.79 1ot3 h THR 35 Ca 0.14 -0.40 0.14 0.00 0.77 0.00 0.00 66.41 67.05 1ot3 h THR 35 Cb 0.03 1.16 -0.10 0.00 -1.74 0.00 0.00 68.15 67.49 1ot3 h THR 35 CO -0.02 0.09 0.07 0.22 0.37 0.00 0.00 175.52 176.25 1ot3 h TYR 36 N -0.43 0.08 0.00 3.16 3.20 -1.30 0.41 116.97 122.08 1ot3 h TYR 36 Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1ot3 h TYR 36 Cb 0.33 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1ot3 h TYR 36 CO -0.01 -0.13 0.00 1.28 -1.64 0.00 0.00 178.16 177.66 1ot3 n LEU 37 N -5.23 0.21 -0.20 2.82 4.77 -0.79 -2.93 117.00 115.65 1ot3 n LEU 37 Ca 0.11 0.56 -0.09 0.00 -0.03 0.00 0.00 56.01 56.55 1ot3 n LEU 37 Cb 0.39 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1ot3 n LEU 37 CO 0.12 -0.39 0.83 0.78 -1.33 0.00 0.00 177.39 177.40 1ot3 h ASN 38 N 0.00 0.98 0.08 -1.43 2.35 -0.81 -2.64 115.58 114.10 1ot3 h ASN 38 Ca 0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1ot3 h ASN 38 Cb 0.25 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1ot3 h ASN 38 CO 0.00 1.03 0.00 1.41 -1.65 0.00 0.00 177.43 178.22 1ot3 n HIS 39 N -4.25 0.00 1.21 1.19 8.25 -1.15 -0.48 115.22 119.99 1ot3 n HIS 39 Ca 0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.61 1ot3 n HIS 39 Cb 0.32 -0.49 0.33 0.00 1.12 0.00 0.00 29.99 31.28 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 -1.49 0.00 0.11 4.41 3.01 -0.99 -4.29 117.46 118.22 1ot3 n PHE 40 Ca 0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.34 1ot3 n PHE 40 Cb 0.03 -0.11 -0.06 0.00 -0.01 0.00 0.00 39.48 39.33 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 1.35 -0.47 0.00 -1.08 4.57 -0.90 -1.84 114.58 116.20 1ot3 h GLU 41 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1ot3 h GLU 41 Cb 0.54 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1ot3 h GLU 41 CO 0.00 -0.31 0.31 0.87 -1.18 0.00 0.00 179.01 178.70 1ot3 h LYS 42 N -0.49 0.00 -0.57 1.92 6.56 -1.78 0.17 116.57 122.38 1ot3 h LYS 42 Ca 0.03 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.62 1ot3 h LYS 42 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1ot3 h LYS 42 CO -0.16 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 177.89 1ot3 n TYR 43 N -2.41 1.16 -0.23 -1.35 0.53 -0.70 -4.61 117.16 109.55 1ot3 n TYR 43 Ca -0.01 -0.60 0.26 0.00 -1.02 0.00 0.00 57.90 56.53 1ot3 n TYR 43 Cb 0.34 -0.17 0.65 0.00 -1.03 0.00 0.00 39.34 39.14 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 3.52 0.14 0.00 -0.72 1.79 -0.67 0.05 116.57 120.69 1ot3 h LYS 44 Ca 0.00 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 1ot3 h LYS 44 Cb 1.24 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1ot3 h LYS 44 CO 0.15 0.09 -0.09 -0.91 -1.08 0.00 0.00 179.45 177.61 1ot3 h ASN 45 N 0.15 0.00 0.00 0.86 2.35 -1.84 -3.23 115.58 113.87 1ot3 h ASN 45 Ca 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.23 1ot3 h ASN 45 Cb 1.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.00 1ot3 h ASN 45 CO -0.08 0.09 0.00 0.47 -1.65 0.00 0.00 177.43 176.26 1ot3 n ASP 46 N -3.32 0.66 -3.99 5.81 10.43 -0.30 -5.00 116.55 120.83 1ot3 n ASP 46 Ca -0.01 -0.87 -0.20 0.00 2.57 0.00 0.00 54.79 56.28 1ot3 n ASP 46 Cb 0.29 0.18 -0.15 0.00 1.84 0.00 0.00 41.12 43.28 1ot3 n ASP 46 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1ot3 s ILE 47 N -0.18 0.74 -0.88 0.53 1.01 -0.15 -4.09 121.20 118.18 1ot3 s ILE 47 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.12 1ot3 s ILE 47 Cb 0.00 -0.66 0.12 0.00 0.01 0.00 0.00 42.46 41.93 1ot3 s ILE 47 CO 0.00 0.23 1.08 0.00 0.00 0.00 0.00 174.94 176.26 1ot3 s LEU 49 N 2.85 4.30 -0.30 0.00 1.98 -1.26 -1.60 118.68 124.65 1ot3 s LEU 49 Ca 0.30 -0.01 -0.01 0.00 -2.89 0.00 0.00 54.13 51.52 1ot3 s LEU 49 Cb -0.07 -2.85 0.05 0.00 0.66 0.00 0.00 46.19 43.98 1ot3 s LEU 49 CO -0.06 -0.74 -0.01 -0.76 -1.89 0.00 0.00 176.35 172.90 1ot3 s LEU 50 N 2.93 3.88 0.76 -0.68 1.43 -0.10 -5.00 118.68 121.90 1ot3 s LEU 50 Ca 0.26 -1.30 -0.09 0.00 -1.03 0.00 0.00 54.13 51.97 1ot3 s LEU 50 Cb -0.14 -1.70 0.08 0.00 0.03 0.00 0.00 46.19 44.46 1ot3 s LEU 50 CO 0.18 -0.26 1.09 0.42 0.23 0.00 0.00 176.35 178.01 1ot3 s THR 51 N 1.23 2.16 0.32 5.49 -4.23 -1.26 -1.37 115.64 117.98 1ot3 s THR 51 Ca -0.05 -0.17 -0.29 0.00 -1.18 0.00 0.00 61.69 60.00 1ot3 s THR 51 Cb -0.20 -2.99 -0.12 0.00 1.34 0.00 0.00 72.50 70.53 1ot3 s THR 51 CO -0.01 0.00 1.47 -0.62 -0.54 0.00 0.00 174.62 174.92 1ot3 n GLU 52 N -3.11 2.46 -0.25 3.99 1.02 -1.26 -4.69 120.64 118.80 1ot3 n GLU 52 Ca 0.09 0.87 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 1ot3 n GLU 52 Cb 0.61 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.45 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 1.34 0.51 -0.32 3.49 -0.02 -1.26 -4.48 135.00 134.26 1ot3 n PRO 53 Ca 0.06 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.63 1ot3 n PRO 53 Cb 0.36 -1.25 0.26 0.00 -0.02 0.00 0.00 33.50 32.86 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 1.46 0.73 -0.19 -1.45 2.07 -1.99 -0.27 116.25 116.61 1ot3 h VAL 54 Ca 0.00 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1ot3 h VAL 54 Cb 0.51 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1ot3 h VAL 54 CO 0.00 0.13 -0.14 -0.33 0.02 0.00 0.00 177.57 177.25 1ot3 h GLU 55 N 0.69 0.31 -0.32 1.57 4.39 -2.00 -2.08 114.58 117.14 1ot3 h GLU 55 Ca 0.51 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.97 1ot3 h GLU 55 Cb 0.73 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1ot3 h GLU 55 CO -0.37 0.45 -0.42 0.87 -1.16 0.00 0.00 179.01 178.38 1ot3 h LYS 56 N 0.29 0.81 0.00 2.33 1.57 -1.39 -1.96 116.57 118.22 1ot3 h LYS 56 Ca 0.06 -0.44 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1ot3 h LYS 56 Cb 0.42 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1ot3 h LYS 56 CO 0.03 1.07 0.00 -1.49 -0.57 0.00 0.00 179.45 178.49 1ot3 h TRP 57 N 0.66 0.00 0.00 -1.35 6.55 -0.70 -2.89 115.95 118.21 1ot3 h TRP 57 Ca 0.05 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.69 1ot3 h TRP 57 Cb 0.99 0.00 -0.04 0.00 -0.86 0.00 0.00 29.16 29.25 1ot3 h TRP 57 CO 0.06 0.00 -1.87 0.54 -1.05 0.00 0.00 178.44 176.11 1ot3 n ARG 58 N -2.54 0.65 -3.42 0.49 1.74 -0.85 -2.50 116.66 110.23 1ot3 n ARG 58 Ca 0.02 0.06 -0.26 0.00 -0.77 0.00 0.00 57.85 56.89 1ot3 n ARG 58 Cb 0.27 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 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 -2.71 1.54 -4.40 0.55 5.15 -0.75 -3.67 115.26 110.97 1ot3 n ASN 59 Ca -0.16 -2.93 -0.45 0.00 -0.60 0.00 0.00 54.58 50.44 1ot3 n ASN 59 Cb 0.89 -0.65 -0.03 0.00 -0.53 0.00 0.00 39.78 39.47 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 -1.33 5.01 -1.60 3.44 1.01 0.01 -4.28 120.40 122.65 1ot3 s VAL 60 Ca 0.34 -1.73 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1ot3 s VAL 60 Cb 0.10 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1ot3 s VAL 60 CO -0.11 -1.30 0.00 0.59 0.00 0.00 0.00 175.10 174.28 1ot3 n ASN 61 N 5.75 -4.24 0.00 3.32 3.02 -1.26 -1.21 115.26 120.64 1ot3 n ASN 61 Ca 0.15 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.03 1ot3 n ASN 61 Cb 0.47 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 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 -0.41 1.66 3.77 7.41 0.00 -1.26 -5.09 105.19 111.26 1ot3 n GLY 62 Ca -0.16 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.83 3.83 -0.79 1.61 1.01 -0.35 -4.85 120.40 120.02 1ot3 s VAL 63 Ca 0.00 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.57 1ot3 s VAL 63 Cb 0.00 -3.96 0.20 0.00 0.00 0.00 0.00 36.38 32.62 1ot3 s VAL 63 CO 0.00 0.23 0.66 0.21 0.00 0.00 0.00 175.10 176.20 1ot3 s ASN 64 N -1.30 5.84 0.15 3.32 3.84 -1.24 -0.81 114.94 124.74 1ot3 s ASN 64 Ca 0.49 -3.24 -0.16 0.00 0.21 0.00 0.00 52.86 50.15 1ot3 s ASN 64 Cb -0.25 -1.94 0.02 0.00 -0.55 0.00 0.00 41.25 38.53 1ot3 s ASN 64 CO 0.32 -0.31 1.80 -0.07 -2.79 0.00 0.00 177.10 176.04 1ot3 h LEU 65 N 6.67 0.36 -1.01 3.21 3.38 -1.74 -1.97 115.31 124.21 1ot3 h LEU 65 Ca 0.08 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1ot3 h LEU 65 Cb 0.90 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.47 1ot3 h LEU 65 CO 0.79 0.26 0.61 0.25 0.09 0.00 0.00 178.44 180.45 1ot3 h LEU 66 N 0.45 0.80 -0.01 1.67 5.85 -1.87 0.30 115.31 122.50 1ot3 h LEU 66 Ca 0.14 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1ot3 h LEU 66 Cb -0.01 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1ot3 h LEU 66 CO -0.06 0.29 -0.33 -0.08 -0.34 0.00 0.00 178.44 177.92 1ot3 h GLU 67 N 0.78 0.24 -0.02 1.25 4.81 -1.78 -2.90 114.58 116.97 1ot3 h GLU 67 Ca 0.57 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1ot3 h GLU 67 Cb 0.87 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1ot3 h GLU 67 CO -0.37 0.95 0.01 -0.07 -0.73 0.00 0.00 179.01 178.81 1ot3 h LEU 68 N -0.37 0.00 -0.07 1.64 3.38 -0.67 -1.14 115.31 118.07 1ot3 h LEU 68 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1ot3 h LEU 68 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ot3 h LEU 68 CO 0.07 0.00 -0.12 -0.03 0.09 0.00 0.00 178.44 178.45 1ot3 h MET 69 N 0.00 0.21 -0.03 1.13 4.05 -0.41 -0.61 114.93 119.27 1ot3 h MET 69 Ca 0.01 -0.13 -0.11 0.00 -0.28 0.00 0.00 59.70 59.19 1ot3 h MET 69 Cb 0.04 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.83 1ot3 h MET 69 CO -0.00 0.70 -0.48 1.88 0.23 0.00 0.00 176.91 179.24 1ot3 h TYR 70 N -0.26 0.10 0.00 1.39 -1.99 -1.25 -0.69 116.97 114.27 1ot3 h TYR 70 Ca 0.01 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.67 1ot3 h TYR 70 Cb 0.68 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1ot3 h TYR 70 CO 0.11 0.55 -0.43 0.87 -0.00 0.00 0.00 178.16 179.25 1ot3 h LYS 71 N 0.07 0.00 -1.11 4.88 1.57 -1.24 -3.40 116.57 117.33 1ot3 h LYS 71 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1ot3 h LYS 71 Cb 0.87 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.96 1ot3 h LYS 71 CO 0.07 0.13 -0.67 -3.47 -0.57 0.00 0.00 179.45 174.94 1ot3 n ASP 72 N -3.02 -2.25 -0.00 0.86 2.03 -0.24 -5.04 116.55 108.89 1ot3 n ASP 72 Ca 0.02 -2.90 -0.09 0.00 0.52 0.00 0.00 54.79 52.34 1ot3 n ASP 72 Cb 0.60 1.02 -0.03 0.00 -0.72 0.00 0.00 41.12 41.99 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 4.70 -0.13 0.00 -0.67 0.11 -1.33 -1.07 132.00 133.61 1ot3 h PRO 73 Ca 0.04 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1ot3 h PRO 73 Cb 1.02 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1ot3 h PRO 73 CO 0.23 -0.09 0.00 1.63 -0.21 0.00 0.00 178.00 179.56 1ot3 n LYS 74 N -5.26 0.01 0.00 1.05 5.02 -1.26 -1.89 118.16 115.82 1ot3 n LYS 74 Ca -0.03 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1ot3 n LYS 74 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1ot3 n LYS 74 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ot3 n LYS 75 N -1.29 3.29 0.00 1.97 4.81 -0.97 -4.86 118.16 121.10 1ot3 n LYS 75 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.49 1ot3 n LYS 75 Cb 0.00 -0.92 -0.03 0.00 0.02 0.00 0.00 35.03 34.11 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 -1.74 0.00 -0.07 5.64 7.02 -0.44 -4.60 117.44 123.25 1ot3 n TRP 76 Ca 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.41 1ot3 n TRP 76 Cb 0.41 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.29 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 1.67 0.26 0.43 6.99 0.00 -1.58 0.08 119.26 127.11 1ot3 h ALA 77 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1ot3 h ALA 77 Cb 0.30 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ot3 h ALA 77 CO 0.00 -0.40 -0.50 1.98 0.00 0.00 0.00 179.25 180.34 1ot3 h MET 78 N 0.11 -0.91 -0.69 0.00 1.85 -1.82 0.27 114.93 113.74 1ot3 h MET 78 Ca 0.13 0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 59.21 1ot3 h MET 78 Cb 0.16 0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.37 1ot3 h MET 78 CO -0.20 -0.61 0.15 -1.00 -0.40 0.00 0.00 176.91 174.85 1ot3 h PRO 79 N -0.95 1.11 0.92 0.39 0.13 -1.81 -1.67 132.00 130.13 1ot3 h PRO 79 Ca -0.05 -0.28 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 1ot3 h PRO 79 Cb 0.84 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.84 1ot3 h PRO 79 CO -0.10 0.99 -0.44 0.35 -0.23 0.00 0.00 178.00 178.57 1ot3 h PHE 80 N 1.04 -1.15 -0.37 1.56 3.57 -0.83 -1.13 116.94 119.64 1ot3 h PHE 80 Ca 0.21 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.78 1ot3 h PHE 80 Cb 0.40 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 1ot3 h PHE 80 CO 0.03 -0.71 0.26 1.96 -2.23 0.00 0.00 178.31 177.62 1ot3 h GLN 81 N -1.25 0.05 -0.21 1.11 1.08 -0.48 0.69 115.11 116.11 1ot3 h GLN 81 Ca -0.13 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1ot3 h GLN 81 Cb 0.95 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 1ot3 h GLN 81 CO 0.21 0.03 0.00 1.03 -0.95 0.00 0.00 178.83 179.15 1ot3 h SER 82 N 0.05 0.36 -0.17 1.46 0.87 -0.93 -1.22 113.55 113.97 1ot3 h SER 82 Ca 0.18 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 60.35 1ot3 h SER 82 Cb 0.63 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1ot3 h SER 82 CO -0.01 0.58 -0.13 0.22 -0.53 0.00 0.00 176.83 176.95 1ot3 h TYR 83 N 0.13 0.59 -0.06 2.24 3.20 0.19 -2.20 116.97 121.05 1ot3 h TYR 83 Ca 0.06 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 61.85 1ot3 h TYR 83 Cb 0.39 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1ot3 h TYR 83 CO 0.03 0.66 -0.03 0.28 -1.64 0.00 0.00 178.16 177.46 1ot3 h VAL 84 N 0.50 0.89 -1.00 1.81 2.07 -0.70 0.34 116.25 120.17 1ot3 h VAL 84 Ca 0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.76 1ot3 h VAL 84 Cb 0.53 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 31.09 1ot3 h VAL 84 CO 0.03 0.00 0.62 0.74 0.02 0.00 0.00 177.57 178.98 1ot3 h THR 85 N -0.03 0.84 -0.21 2.57 2.02 -0.73 -0.47 112.91 116.90 1ot3 h THR 85 Ca 0.04 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 1ot3 h THR 85 Cb 0.09 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.34 1ot3 h THR 85 CO -0.08 0.17 -0.06 0.25 0.37 0.00 0.00 175.52 176.16 1ot3 h LEU 86 N 0.91 0.41 -0.97 2.58 5.85 -0.76 -2.07 115.31 121.25 1ot3 h LEU 86 Ca 0.53 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1ot3 h LEU 86 Cb 0.64 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1ot3 h LEU 86 CO -0.31 0.69 0.20 0.71 -0.34 0.00 0.00 178.44 179.38 1ot3 h THR 87 N 0.12 1.23 -0.52 1.05 1.35 -0.11 -1.51 112.91 114.53 1ot3 h THR 87 Ca 0.05 -0.80 -0.09 0.00 -0.55 0.00 0.00 66.41 65.02 1ot3 h THR 87 Cb 0.51 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.45 1ot3 h THR 87 CO 0.02 0.31 -0.04 0.24 -0.25 0.00 0.00 175.52 175.80 1ot3 h MET 88 N 0.91 0.91 -0.14 4.72 2.86 -1.09 -2.41 114.93 120.69 1ot3 h MET 88 Ca 0.21 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.49 1ot3 h MET 88 Cb 0.26 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1ot3 h MET 88 CO -0.01 0.93 -0.20 -0.07 1.06 0.00 0.00 176.91 178.62 1ot3 h LEU 89 N 0.83 0.24 -0.77 1.22 3.38 -0.75 -1.34 115.31 118.12 1ot3 h LEU 89 Ca 0.15 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1ot3 h LEU 89 Cb 0.56 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ot3 h LEU 89 CO 0.03 0.45 -0.20 1.56 0.09 0.00 0.00 178.44 180.37 1ot3 h GLN 90 N 0.23 0.72 -0.02 1.13 4.20 -0.82 -2.51 115.11 118.03 1ot3 h GLN 90 Ca 0.04 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 1ot3 h GLN 90 Cb 0.49 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1ot3 h GLN 90 CO 0.03 0.87 -0.12 0.77 -0.67 0.00 0.00 178.83 179.71 1ot3 h SER 91 N 0.63 0.13 -0.85 1.46 0.02 -1.08 -1.56 113.55 112.30 1ot3 h SER 91 Ca 0.09 -0.69 0.12 0.00 -0.84 0.00 0.00 61.79 60.47 1ot3 h SER 91 Cb 0.69 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 1ot3 h SER 91 CO 0.05 0.80 0.55 0.45 -1.14 0.00 0.00 176.83 177.55 1ot3 h HIS 92 N -0.53 0.80 -0.02 3.45 3.86 -1.25 -2.11 115.15 119.35 1ot3 h HIS 92 Ca -0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1ot3 h HIS 92 Cb 0.81 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1ot3 h HIS 92 CO 0.16 0.34 -0.38 0.25 0.86 0.00 0.00 177.93 179.16 1ot3 n THR 93 N -4.53 0.00 -1.75 2.45 -2.24 -0.95 -4.69 114.28 102.57 1ot3 n THR 93 Ca 0.15 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 1ot3 n THR 93 Cb 0.40 1.16 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 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 -2.41 3.11 0.53 6.98 0.00 -0.59 -4.86 121.76 124.51 1ot3 s ALA 94 Ca 0.21 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.80 1ot3 s ALA 94 Cb 0.19 -3.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 1ot3 s ALA 94 CO 0.53 -2.24 1.37 -0.35 0.00 0.00 0.00 175.76 175.07 1ot3 n PRO 95 N 8.15 1.79 -3.86 0.00 -0.04 -1.26 -5.02 135.00 134.75 1ot3 n PRO 95 Ca 0.24 0.65 -0.09 0.00 -0.04 0.00 0.00 63.50 64.26 1ot3 n PRO 95 Cb 0.44 -2.59 -0.06 0.00 -0.04 0.00 0.00 33.50 31.25 1ot3 n PRO 95 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1ot3 s THR 96 N -1.27 0.09 -0.04 0.52 -1.32 -1.26 -5.05 115.64 107.30 1ot3 s THR 96 Ca 0.70 -1.15 0.17 0.00 -1.21 0.00 0.00 61.69 60.20 1ot3 s THR 96 Cb -0.42 -1.56 -0.27 0.00 -1.51 0.00 0.00 72.50 68.74 1ot3 s THR 96 CO 0.51 -0.40 0.35 0.59 -2.21 0.00 0.00 174.62 173.45 1ot3 n ASN 97 N -0.18 0.94 -4.69 8.08 3.02 -1.26 -4.94 115.26 116.23 1ot3 n ASN 97 Ca -0.11 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.13 1ot3 n ASN 97 Cb 0.63 1.70 0.16 0.00 -0.61 0.00 0.00 39.78 41.65 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 -3.13 1.20 0.00 3.52 -0.14 -1.26 -4.93 119.74 115.00 1ot3 s LYS 98 Ca -0.07 1.50 0.24 0.00 -1.36 0.00 0.00 55.97 56.28 1ot3 s LYS 98 Cb 0.11 -1.75 0.21 0.00 -1.68 0.00 0.00 37.83 34.71 1ot3 s LYS 98 CO 0.73 -2.49 1.21 1.63 -0.76 0.00 0.00 175.35 175.68 1ot3 n LYS 99 N -4.12 0.54 -4.23 1.68 4.76 -1.26 -4.72 118.16 110.81 1ot3 n LYS 99 Ca 0.11 -0.40 -0.17 0.00 -2.87 0.00 0.00 58.31 54.98 1ot3 n LYS 99 Cb 0.52 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.73 2.06 -0.08 -0.35 2.96 -1.26 -3.03 118.68 116.25 1ot3 s LEU 100 Ca 0.15 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1ot3 s LEU 100 Cb 0.18 -0.35 0.03 0.00 0.50 0.00 0.00 46.19 46.55 1ot3 s LEU 100 CO 0.67 0.04 -0.01 -0.75 -1.32 0.00 0.00 176.35 174.98 1ot3 s LYS 101 N -0.44 0.72 -0.27 1.98 2.20 0.77 -1.40 119.74 123.31 1ot3 s LYS 101 Ca 0.01 0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.67 1ot3 s LYS 101 Cb -0.04 -1.05 0.04 0.00 -1.51 0.00 0.00 37.83 35.27 1ot3 s LYS 101 CO -0.00 -0.30 -0.04 0.42 -0.36 0.00 0.00 175.35 175.07 1ot3 s ILE 102 N 1.93 2.88 0.08 5.43 1.01 -0.63 0.10 121.20 132.00 1ot3 s ILE 102 Ca 0.05 -1.18 0.04 0.00 0.00 0.00 0.00 60.65 59.56 1ot3 s ILE 102 Cb -0.12 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 1ot3 s ILE 102 CO -0.06 0.08 0.02 -0.04 0.00 0.00 0.00 174.94 174.95 1ot3 s MET 103 N 1.29 2.67 -0.25 2.79 -1.94 -0.59 -0.92 119.30 122.34 1ot3 s MET 103 Ca -0.02 -0.77 -0.12 0.00 -1.71 0.00 0.00 55.69 53.07 1ot3 s MET 103 Cb -0.18 -2.61 -0.05 0.00 2.01 0.00 0.00 34.83 34.01 1ot3 s MET 103 CO -0.03 0.56 0.23 -2.00 -0.01 0.00 0.00 175.02 173.76 1ot3 s GLU 104 N -2.26 4.03 0.34 2.03 2.12 -0.47 -1.60 118.70 122.89 1ot3 s GLU 104 Ca 0.26 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.41 1ot3 s GLU 104 Cb -0.12 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.67 1ot3 s GLU 104 CO 0.19 -0.09 0.00 0.54 -0.54 0.00 0.00 175.26 175.35 1ot3 n ARG 105 N 4.76 -2.84 -2.06 4.30 5.12 -0.03 -4.18 116.66 121.73 1ot3 n ARG 105 Ca -0.13 1.90 -0.01 0.00 -1.93 0.00 0.00 57.85 57.68 1ot3 n ARG 105 Cb 0.52 -3.46 0.01 0.00 -1.16 0.00 0.00 32.46 28.37 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 -4.16 -0.57 0.19 0.55 3.41 -1.26 -4.70 113.62 107.09 1ot3 n SER 106 Ca 0.00 -1.33 0.05 0.00 -0.26 0.00 0.00 58.87 57.33 1ot3 n SER 106 Cb 0.64 0.93 0.36 0.00 -0.26 0.00 0.00 64.21 65.88 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 1.29 1.01 -0.09 -1.33 2.10 -1.94 -2.61 117.51 115.95 1ot3 h ILE 107 Ca -0.09 -1.46 -0.06 0.00 1.08 0.00 0.00 64.86 64.34 1ot3 h ILE 107 Cb 0.36 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.94 1ot3 h ILE 107 CO 0.11 0.38 -0.19 -0.26 -1.08 0.00 0.00 178.15 177.11 1ot3 h PHE 108 N 0.00 0.36 -0.80 2.19 -1.00 -1.99 -2.25 116.94 113.45 1ot3 h PHE 108 Ca -0.00 -0.13 -0.04 0.00 2.81 0.00 0.00 57.97 60.61 1ot3 h PHE 108 Cb 0.82 -0.07 -0.04 0.00 3.61 0.00 0.00 35.95 40.28 1ot3 h PHE 108 CO 0.00 0.80 0.35 0.66 -1.61 0.00 0.00 178.31 178.51 1ot3 h SER 109 N -0.18 1.07 -0.53 2.17 4.64 -1.94 0.35 113.55 119.13 1ot3 h SER 109 Ca 0.00 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1ot3 h SER 109 Cb 0.78 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1ot3 h SER 109 CO 0.04 0.93 0.29 0.00 -0.87 0.00 0.00 176.83 177.22 1ot3 h ALA 110 N 1.18 1.46 0.00 5.18 0.00 -1.46 -0.98 119.26 124.64 1ot3 h ALA 110 Ca 0.27 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1ot3 h ALA 110 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ot3 h ALA 110 CO -0.03 0.44 -0.47 -0.09 0.00 0.00 0.00 179.25 179.10 1ot3 h ARG 111 N 0.78 0.00 0.00 0.00 2.43 -0.77 -0.93 114.38 115.89 1ot3 h ARG 111 Ca 0.20 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.32 1ot3 h ARG 111 Cb 0.05 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1ot3 h ARG 111 CO -0.03 0.47 -0.22 1.88 -1.51 0.00 0.00 179.97 180.56 1ot3 h TYR 112 N -1.00 0.00 0.00 2.20 0.99 -0.39 -3.10 116.97 115.67 1ot3 h TYR 112 Ca -0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.64 1ot3 h TYR 112 Cb 0.70 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.43 1ot3 h TYR 112 CO 0.02 0.22 0.00 0.00 -0.00 0.00 0.00 178.16 178.41 1ot3 h PHE 114 N 0.00 -0.57 -0.99 0.00 -1.00 -1.61 0.10 116.94 112.88 1ot3 h PHE 114 Ca 0.00 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.80 1ot3 h PHE 114 Cb 0.00 0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.70 1ot3 h PHE 114 CO 0.00 -0.34 0.65 0.28 -1.61 0.00 0.00 178.31 177.29 1ot3 h VAL 115 N -0.57 1.21 -0.74 -0.55 2.07 -1.31 -1.11 116.25 115.25 1ot3 h VAL 115 Ca -0.05 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1ot3 h VAL 115 Cb 0.46 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 1ot3 h VAL 115 CO 0.06 0.24 0.30 -0.08 0.02 0.00 0.00 177.57 178.11 1ot3 h GLU 116 N 1.29 1.10 -0.06 1.57 4.57 -1.43 -2.40 114.58 119.22 1ot3 h GLU 116 Ca 0.38 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 58.23 1ot3 h GLU 116 Cb -0.07 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.33 1ot3 h GLU 116 CO -0.10 0.90 -0.54 -0.97 -1.18 0.00 0.00 179.01 177.12 1ot3 h ASN 117 N 1.06 0.18 0.86 1.04 -0.00 -0.41 -2.81 115.58 115.50 1ot3 h ASN 117 Ca 0.25 -0.09 0.00 0.00 -0.00 0.00 0.00 56.30 56.45 1ot3 h ASN 117 Cb 0.21 -0.05 0.00 0.00 -0.00 0.00 0.00 38.32 38.48 1ot3 h ASN 117 CO -0.02 0.69 0.00 0.23 -0.00 0.00 0.00 177.43 178.32 1ot3 n MET 118 N -3.91 0.02 0.01 6.67 2.81 -0.47 -1.91 117.12 120.35 1ot3 n MET 118 Ca -0.02 0.11 -0.07 0.00 -1.81 0.00 0.00 57.70 55.91 1ot3 n MET 118 Cb 0.56 -1.53 -0.13 0.00 -0.71 0.00 0.00 33.22 31.41 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 0.00 0.15 0.03 2.43 -1.17 0.30 114.38 116.11 1ot3 h ARG 119 Ca 0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1ot3 h ARG 119 Cb 0.43 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1ot3 h ARG 119 CO 0.00 0.68 -1.34 0.00 -1.51 0.00 0.00 179.97 177.81 1ot3 h ARG 120 N 0.00 0.32 0.00 0.20 3.08 -1.46 -3.31 114.38 113.20 1ot3 h ARG 120 Ca -0.17 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.34 1ot3 h ARG 120 Cb 1.90 0.20 0.00 0.00 0.08 0.00 0.00 29.97 32.15 1ot3 h ARG 120 CO 0.10 1.26 0.00 0.27 -1.07 0.00 0.00 179.97 180.53 1ot3 n ASN 121 N -3.90 0.00 0.00 7.04 2.04 -0.80 -4.83 115.26 114.81 1ot3 n ASN 121 Ca -0.21 -1.36 0.00 0.00 -0.44 0.00 0.00 54.58 52.56 1ot3 n ASN 121 Cb 0.93 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.18 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 0.26 0.49 0.24 4.83 0.00 -1.25 -4.89 105.19 104.88 1ot3 n GLY 122 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 0.51 -3.53 1.61 0.02 -1.71 -3.41 113.55 107.04 1ot3 h SER 123 Ca 0.00 -0.17 -0.67 0.00 -0.84 0.00 0.00 61.79 60.10 1ot3 h SER 123 Cb 0.18 -0.14 -0.29 0.00 0.14 0.00 0.00 62.40 62.28 1ot3 h SER 123 CO 0.00 0.75 -0.70 -0.76 -1.14 0.00 0.00 176.83 174.98 1ot3 s LEU 124 N -8.69 3.38 0.82 5.07 1.43 1.00 -4.04 118.68 117.64 1ot3 s LEU 124 Ca -0.07 -0.75 -0.13 0.00 -1.03 0.00 0.00 54.13 52.15 1ot3 s LEU 124 Cb 0.14 -1.75 0.09 0.00 0.03 0.00 0.00 46.19 44.70 1ot3 s LEU 124 CO 0.79 -0.14 1.18 -1.61 0.23 0.00 0.00 176.35 176.81 1ot3 s GLU 125 N 1.40 1.61 0.31 1.70 8.01 -1.26 -4.63 118.70 125.85 1ot3 s GLU 125 Ca 0.02 1.66 0.08 0.00 0.01 0.00 0.00 54.97 56.74 1ot3 s GLU 125 Cb -0.17 -1.78 0.85 0.00 -4.31 0.00 0.00 34.13 28.72 1ot3 s GLU 125 CO -0.02 -2.22 1.69 0.37 0.01 0.00 0.00 175.26 175.09 1ot3 h GLN 126 N -1.05 0.39 0.00 1.61 5.75 -1.97 0.70 115.11 120.53 1ot3 h GLN 126 Ca -0.45 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 57.93 1ot3 h GLN 126 Cb 1.28 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 1ot3 h GLN 126 CO 0.46 0.26 -0.43 0.78 -2.65 0.00 0.00 178.83 177.24 1ot3 h GLY 127 N 0.40 0.00 0.64 2.39 0.00 -2.00 -2.29 103.07 102.22 1ot3 h GLY 127 Ca 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.87 1ot3 h GLY 127 CO -0.55 0.00 -0.26 -0.33 0.00 0.00 0.00 176.54 175.40 1ot3 h MET 128 N 0.00 0.29 0.04 4.80 2.86 -1.21 -2.79 114.93 118.93 1ot3 h MET 128 Ca -0.00 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1ot3 h MET 128 Cb 0.90 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.58 1ot3 h MET 128 CO 0.06 0.86 -0.14 -0.92 1.06 0.00 0.00 176.91 177.83 1ot3 h TYR 129 N -0.21 -0.35 -0.79 -0.22 3.20 -1.37 -2.27 116.97 114.97 1ot3 h TYR 129 Ca -0.01 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.01 1ot3 h TYR 129 Cb 0.90 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.26 1ot3 h TYR 129 CO 0.13 -0.20 0.52 -0.91 -1.64 0.00 0.00 178.16 176.05 1ot3 h ASN 130 N -0.25 0.47 -0.42 -2.11 2.35 -1.46 -0.27 115.58 113.89 1ot3 h ASN 130 Ca 0.03 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1ot3 h ASN 130 Cb 0.29 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1ot3 h ASN 130 CO -0.10 0.25 -0.10 0.74 -1.65 0.00 0.00 177.43 176.57 1ot3 h THR 131 N 0.50 1.27 -0.10 2.81 2.02 -1.13 -1.76 112.91 116.53 1ot3 h THR 131 Ca 0.39 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1ot3 h THR 131 Cb 0.78 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1ot3 h THR 131 CO -0.14 0.40 0.02 -0.07 0.37 0.00 0.00 175.52 176.11 1ot3 h LEU 132 N 0.63 0.16 -0.94 2.58 3.38 -0.79 -2.95 115.31 117.38 1ot3 h LEU 132 Ca 0.11 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.93 1ot3 h LEU 132 Cb 0.62 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.26 1ot3 h LEU 132 CO 0.04 0.35 0.58 -0.33 0.09 0.00 0.00 178.44 179.17 1ot3 h GLU 133 N -0.04 0.96 -0.60 1.13 4.39 -0.99 -1.27 114.58 118.16 1ot3 h GLU 133 Ca 0.03 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.73 1ot3 h GLU 133 Cb 0.25 -0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 1ot3 h GLU 133 CO 0.00 0.64 0.31 0.93 -1.16 0.00 0.00 179.01 179.73 1ot3 h GLU 134 N 0.99 0.56 -0.38 2.33 4.39 -1.20 0.18 114.58 121.46 1ot3 h GLU 134 Ca 0.44 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1ot3 h GLU 134 Cb 0.32 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1ot3 h GLU 134 CO -0.22 0.37 0.19 -1.49 -1.16 0.00 0.00 179.01 176.70 1ot3 h TRP 135 N 0.58 0.54 -0.91 4.33 4.06 -1.09 -0.26 115.95 123.21 1ot3 h TRP 135 Ca 0.27 -0.02 0.01 0.00 2.06 0.00 0.00 58.89 61.21 1ot3 h TRP 135 Cb 0.19 -0.17 -0.04 0.00 -1.00 0.00 0.00 29.16 28.14 1ot3 h TRP 135 CO -0.10 0.45 0.60 1.88 -3.56 0.00 0.00 178.44 177.71 1ot3 h TYR 136 N 0.48 1.14 -0.35 0.49 0.99 -0.69 0.36 116.97 119.40 1ot3 h TYR 136 Ca 0.13 0.03 -0.09 0.00 2.00 0.00 0.00 58.73 60.80 1ot3 h TYR 136 Cb 0.11 -0.39 -0.02 0.00 1.00 0.00 0.00 36.73 37.43 1ot3 h TYR 136 CO -0.02 0.72 -0.16 0.87 -0.00 0.00 0.00 178.16 179.57 1ot3 h LYS 137 N 1.23 0.63 -0.11 4.88 1.57 -0.18 -0.10 116.57 124.48 1ot3 h LYS 137 Ca 0.33 -0.21 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 1ot3 h LYS 137 Cb -0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1ot3 h LYS 137 CO -0.07 0.76 -0.65 0.35 -0.57 0.00 0.00 179.45 179.27 1ot3 h PHE 138 N 0.57 0.58 -0.12 -1.35 3.57 -0.33 -2.51 116.94 117.35 1ot3 h PHE 138 Ca 0.09 -0.24 -0.03 0.00 3.53 0.00 0.00 57.97 61.33 1ot3 h PHE 138 Cb 0.60 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1ot3 h PHE 138 CO 0.03 0.97 -0.05 0.82 -2.23 0.00 0.00 178.31 177.84 1ot3 h ILE 139 N 0.32 1.31 0.00 1.41 2.04 0.13 -0.76 117.51 121.96 1ot3 h ILE 139 Ca -0.02 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 1ot3 h ILE 139 Cb 1.21 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1ot3 h ILE 139 CO 0.12 0.31 -0.09 1.05 0.00 0.00 0.00 178.15 179.53 1ot3 h GLU 140 N -0.10 0.00 0.00 2.37 4.11 -1.06 0.23 114.58 120.13 1ot3 h GLU 140 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1ot3 h GLU 140 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ot3 h GLU 140 CO 0.02 0.09 -0.79 0.93 0.07 0.00 0.00 179.01 179.33 1ot3 h GLU 141 N 0.00 0.00 0.00 1.06 5.08 -1.34 -3.44 114.58 115.94 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 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ot3 h GLU 141 CO 0.01 0.00 0.00 0.43 -1.00 0.00 0.00 179.01 178.45 1ot3 n SER 142 N -2.33 0.00 -4.57 1.42 7.64 -0.30 -5.05 113.62 110.42 1ot3 n SER 142 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.53 1ot3 n SER 142 Cb 0.48 -0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.74 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 -1.30 3.10 -3.93 0.44 -0.00 0.73 -4.09 119.36 114.32 1ot3 n ILE 143 Ca 0.00 -0.46 -0.35 0.00 -0.00 0.00 0.00 62.75 61.94 1ot3 n ILE 143 Cb 0.00 -1.01 -0.12 0.00 -0.00 0.00 0.00 39.64 38.50 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 -1.67 3.07 -0.27 1.39 5.65 -1.19 -4.51 115.29 117.75 1ot3 s HIS 144 Ca 0.73 -0.44 -0.04 0.00 0.25 0.00 0.00 55.06 55.57 1ot3 s HIS 144 Cb -0.39 -2.15 0.02 0.00 -1.18 0.00 0.00 32.58 28.89 1ot3 s HIS 144 CO 0.50 -0.28 0.00 0.08 -0.65 0.00 0.00 174.74 174.39 1ot3 s VAL 145 N 1.23 3.30 -0.04 0.89 1.01 -1.26 -4.74 120.40 120.80 1ot3 s VAL 145 Ca 0.04 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 1ot3 s VAL 145 Cb -0.15 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1ot3 s VAL 145 CO 0.02 0.10 1.03 -1.58 0.00 0.00 0.00 175.10 174.67 1ot3 s GLN 146 N 1.38 4.48 -0.28 2.72 2.00 -1.26 -5.00 119.66 123.69 1ot3 s GLN 146 Ca 0.00 1.47 0.02 0.00 -2.00 0.00 0.00 55.36 54.85 1ot3 s GLN 146 Cb -0.17 -3.49 0.17 0.00 0.80 0.00 0.00 33.01 30.32 1ot3 s GLN 146 CO -0.01 -0.20 0.47 0.00 -0.50 0.00 0.00 175.29 175.05 1ot3 s ALA 147 N 1.47 -1.58 -0.11 1.58 0.00 -1.26 -4.79 121.76 117.06 1ot3 s ALA 147 Ca 0.52 0.72 0.16 0.00 0.00 0.00 0.00 51.96 53.35 1ot3 s ALA 147 Cb -0.21 -2.13 -0.23 0.00 0.00 0.00 0.00 23.12 20.55 1ot3 s ALA 147 CO 0.24 -1.64 0.18 -0.25 0.00 0.00 0.00 175.76 174.29 1ot3 n ASP 148 N 5.38 0.97 -3.70 0.00 8.00 -0.71 -4.71 116.55 121.77 1ot3 n ASP 148 Ca 0.01 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.37 1ot3 n ASP 148 Cb 0.51 1.23 -0.09 0.00 -0.02 0.00 0.00 41.12 42.75 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 -4.85 0.18 -0.09 0.64 2.96 -1.16 -3.94 118.68 112.41 1ot3 s LEU 149 Ca -0.07 0.79 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1ot3 s LEU 149 Cb 0.07 1.70 0.00 0.00 0.50 0.00 0.00 46.19 48.46 1ot3 s LEU 149 CO 0.69 -0.27 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.61 1ot3 s ILE 150 N -0.19 1.89 -0.38 6.68 1.01 -0.54 -0.32 121.20 129.34 1ot3 s ILE 150 Ca -0.04 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1ot3 s ILE 150 Cb -0.03 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.84 1ot3 s ILE 150 CO 0.02 0.52 0.21 -0.63 0.00 0.00 0.00 174.94 175.07 1ot3 s ILE 151 N 0.35 4.38 -0.42 2.92 1.01 0.26 0.14 121.20 129.84 1ot3 s ILE 151 Ca -0.17 -1.06 -0.19 0.00 0.00 0.00 0.00 60.65 59.24 1ot3 s ILE 151 Cb -0.17 -3.52 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1ot3 s ILE 151 CO 0.08 -0.31 0.52 -0.47 0.00 0.00 0.00 174.94 174.75 1ot3 s TYR 152 N 1.50 3.13 -1.42 3.97 5.04 -0.19 -1.51 117.35 127.87 1ot3 s TYR 152 Ca 0.02 -0.22 -0.11 0.00 -2.44 0.00 0.00 57.07 54.31 1ot3 s TYR 152 Cb -0.20 -3.07 0.06 0.00 0.35 0.00 0.00 41.96 39.10 1ot3 s TYR 152 CO 0.05 -0.76 2.25 1.28 -1.34 0.00 0.00 175.55 177.03 1ot3 n LEU 153 N 5.87 7.20 -4.69 6.97 4.77 -0.37 -1.72 117.00 135.03 1ot3 n LEU 153 Ca -0.05 -4.39 -0.43 0.00 -0.03 0.00 0.00 56.01 51.12 1ot3 n LEU 153 Cb 0.48 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.97 1ot3 n LEU 153 CO 0.49 1.42 1.45 -1.14 -1.33 0.00 0.00 177.39 178.28 1ot3 n ARG 154 N 4.68 2.73 0.00 3.23 0.63 -1.21 -4.61 116.66 122.11 1ot3 n ARG 154 Ca 0.53 0.99 0.00 0.00 -0.92 0.00 0.00 57.85 58.46 1ot3 n ARG 154 Cb 0.35 -2.87 0.00 0.00 0.45 0.00 0.00 32.46 30.38 1ot3 n ARG 154 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1ot3 n THR 155 N 4.55 0.00 -4.47 5.15 -2.24 -1.26 -2.43 114.28 113.58 1ot3 n THR 155 Ca 0.18 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.75 1ot3 n THR 155 Cb 0.36 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.44 1ot3 n THR 155 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ot3 s SER 156 N 1.00 1.37 0.59 3.42 0.15 -1.26 -5.01 113.70 113.96 1ot3 s SER 156 Ca 0.00 -0.21 0.29 0.00 0.70 0.00 0.00 55.95 56.73 1ot3 s SER 156 Cb 0.00 -0.35 1.41 0.00 -1.71 0.00 0.00 66.02 65.37 1ot3 s SER 156 CO 0.00 0.09 1.80 -0.65 1.20 0.00 0.00 173.24 175.68 1ot3 h PRO 157 N 6.31 0.00 0.15 5.44 0.11 -1.96 0.29 132.00 142.34 1ot3 h PRO 157 Ca -0.33 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.43 1ot3 h PRO 157 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ot3 h PRO 157 CO 0.49 0.00 -1.81 0.93 -0.21 0.00 0.00 178.00 177.39 1ot3 h GLU 158 N 0.00 0.31 -0.21 1.05 3.07 -1.96 -2.77 114.58 114.07 1ot3 h GLU 158 Ca 0.29 -0.54 -0.10 0.00 -0.50 0.00 0.00 59.36 58.51 1ot3 h GLU 158 Cb 1.56 0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 29.65 1ot3 h GLU 158 CO -0.00 1.22 -0.32 0.28 -1.40 0.00 0.00 179.01 178.78 1ot3 h VAL 159 N 0.09 1.28 0.19 3.13 2.07 -1.13 -2.62 116.25 119.25 1ot3 h VAL 159 Ca -0.36 -1.38 -0.31 0.00 0.82 0.00 0.00 66.70 65.47 1ot3 h VAL 159 Cb 2.06 1.48 0.03 0.00 -1.52 0.00 0.00 31.29 33.34 1ot3 h VAL 159 CO 0.14 0.43 -1.36 0.00 0.02 0.00 0.00 177.57 176.80 1ot3 h ALA 160 N 1.30 -0.06 0.00 1.67 0.00 -0.73 -2.95 119.26 118.49 1ot3 h ALA 160 Ca 0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.12 1ot3 h ALA 160 Cb 0.75 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1ot3 h ALA 160 CO 0.06 0.75 -0.01 -0.92 0.00 0.00 0.00 179.25 179.13 1ot3 h TYR 161 N 0.17 0.00 0.07 0.00 3.20 -1.39 -1.46 116.97 117.56 1ot3 h TYR 161 Ca -0.21 0.00 -0.30 0.00 3.14 0.00 0.00 58.73 61.36 1ot3 h TYR 161 Cb 2.05 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 40.30 1ot3 h TYR 161 CO 0.11 0.01 -1.62 1.49 -1.64 0.00 0.00 178.16 176.51 1ot3 h GLU 162 N 0.00 0.15 -0.72 1.82 4.57 -1.42 -3.27 114.58 115.70 1ot3 h GLU 162 Ca -0.00 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.93 1ot3 h GLU 162 Cb 0.08 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1ot3 h GLU 162 CO 0.00 0.91 0.44 0.00 -1.18 0.00 0.00 179.01 179.18 1ot3 h ARG 163 N 0.04 0.98 -0.46 1.92 3.08 -1.10 -2.69 114.38 116.15 1ot3 h ARG 163 Ca -0.27 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1ot3 h ARG 163 Cb 2.00 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 31.82 1ot3 h ARG 163 CO 0.12 0.69 0.24 0.82 -1.07 0.00 0.00 179.97 180.76 1ot3 h ILE 164 N 0.98 1.17 -0.11 2.04 2.04 -1.62 -2.19 117.51 119.82 1ot3 h ILE 164 Ca 0.26 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.67 1ot3 h ILE 164 Cb -0.04 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1ot3 h ILE 164 CO -0.05 0.19 0.07 -0.09 0.00 0.00 0.00 178.15 178.27 1ot3 h ARG 165 N 0.60 0.06 0.25 2.37 2.43 -1.55 -2.97 114.38 115.57 1ot3 h ARG 165 Ca 0.16 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1ot3 h ARG 165 Cb 0.08 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1ot3 h ARG 165 CO -0.02 0.04 -0.12 1.96 -1.51 0.00 0.00 179.97 180.32 1ot3 h GLN 166 N 0.07 -0.32 -7.08 0.20 1.08 -1.14 -3.45 115.11 104.47 1ot3 h GLN 166 Ca 0.05 0.02 -0.54 0.00 -1.45 0.00 0.00 58.65 56.73 1ot3 h GLN 166 Cb 0.10 0.07 0.12 0.00 -0.05 0.00 0.00 27.48 27.73 1ot3 h GLN 166 CO -0.01 -0.11 0.52 1.03 -0.95 0.00 0.00 178.83 179.31 1ot3 s ARG 167 N -2.88 2.99 -0.71 1.46 0.52 -0.86 -4.92 118.95 114.56 1ot3 s ARG 167 Ca -0.07 1.98 -0.03 0.00 -0.52 0.00 0.00 55.73 57.09 1ot3 s ARG 167 Cb 0.00 -2.04 0.24 0.00 0.52 0.00 0.00 34.95 33.68 1ot3 s ARG 167 CO 0.24 -1.23 2.31 0.00 0.02 0.00 0.00 175.30 176.64 1ot3 n ALA 168 N -1.42 6.50 -0.75 2.13 0.00 -1.26 -4.88 120.51 120.83 1ot3 n ALA 168 Ca 0.13 -3.73 -0.08 0.00 0.00 0.00 0.00 53.44 49.76 1ot3 n ALA 168 Cb 0.48 -2.06 0.13 0.00 0.00 0.00 0.00 19.45 18.00 1ot3 n ALA 168 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ot3 n ARG 169 N -0.00 -2.97 0.00 0.00 0.00 -1.26 -5.06 116.66 107.36 1ot3 n ARG 169 Ca 0.52 -0.68 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1ot3 n ARG 169 Cb 0.35 -0.82 0.00 0.00 0.00 0.00 0.00 32.46 31.99 1ot3 n ARG 169 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1ot3 n SER 170 N -4.16 0.00 0.36 6.15 2.88 -1.26 -4.87 113.62 112.71 1ot3 n SER 170 Ca 0.06 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.42 1ot3 n SER 170 Cb 0.27 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.63 1ot3 n SER 170 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1ot3 h GLU 171 N 0.00 -1.04 -4.42 -1.46 3.07 -1.97 -3.28 114.58 105.47 1ot3 h GLU 171 Ca 0.00 0.07 -0.66 0.00 -0.50 0.00 0.00 59.36 58.27 1ot3 h GLU 171 Cb 0.00 0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1ot3 h GLU 171 CO 0.00 -0.70 2.63 -0.85 -1.40 0.00 0.00 179.01 178.69 1ot3 n GLU 172 N -5.44 2.32 0.00 2.33 0.28 -1.26 -3.78 120.64 115.09 1ot3 n GLU 172 Ca -0.13 -2.38 0.00 0.00 -0.16 0.00 0.00 57.16 54.49 1ot3 n GLU 172 Cb 0.47 -3.20 0.00 0.00 1.43 0.00 0.00 31.44 30.14 1ot3 n GLU 172 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1ot3 n SER 173 N 7.29 0.00 -1.67 -1.84 3.41 -1.24 -4.81 113.62 114.77 1ot3 n SER 173 Ca 0.50 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.97 1ot3 n SER 173 Cb 0.41 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.53 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 -3.48 5.04 1.07 0.00 -7.23 -1.26 -5.05 120.40 109.48 1ot3 s VAL 175 Ca 0.51 1.22 -0.13 0.00 -1.81 0.00 0.00 61.98 61.77 1ot3 s VAL 175 Cb 0.44 -3.95 0.19 0.00 0.56 0.00 0.00 36.38 33.62 1ot3 s VAL 175 CO 0.03 0.16 0.84 -2.65 -0.31 0.00 0.00 175.10 173.17 1ot3 n PRO 176 N 4.68 -1.51 -0.13 4.82 -0.02 -1.26 -4.90 135.00 136.68 1ot3 n PRO 176 Ca -0.02 -0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 60.95 1ot3 n PRO 176 Cb 0.50 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1ot3 n PRO 176 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ot3 h LEU 177 N -2.24 0.74 -0.76 2.45 5.85 -1.96 -3.04 115.31 116.34 1ot3 h LEU 177 Ca -0.53 -0.36 0.17 0.00 0.84 0.00 0.00 57.88 58.00 1ot3 h LEU 177 Cb 1.31 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.02 1ot3 h LEU 177 CO 0.43 0.93 0.12 0.50 -0.34 0.00 0.00 178.44 180.08 1ot3 h LYS 178 N 0.53 0.19 0.22 1.25 1.63 -1.98 0.13 116.57 118.55 1ot3 h LYS 178 Ca 0.10 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1ot3 h LYS 178 Cb 0.60 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1ot3 h LYS 178 CO 0.04 0.13 -0.26 -0.92 -3.45 0.00 0.00 179.45 174.99 1ot3 h TYR 179 N 0.20 -0.68 -0.42 1.91 3.20 -1.89 0.43 116.97 119.71 1ot3 h TYR 179 Ca 0.43 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.30 1ot3 h TYR 179 Cb 0.77 0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 1ot3 h TYR 179 CO -0.32 -0.37 0.24 -0.07 -1.64 0.00 0.00 178.16 176.00 1ot3 h LEU 180 N -0.52 0.50 -0.27 2.82 3.38 -1.26 -1.01 115.31 118.95 1ot3 h LEU 180 Ca 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1ot3 h LEU 180 Cb 0.50 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ot3 h LEU 180 CO -0.08 0.40 -0.02 1.56 0.09 0.00 0.00 178.44 180.39 1ot3 h GLN 181 N 0.58 0.48 -0.06 1.13 4.20 -0.42 -0.62 115.11 120.41 1ot3 h GLN 181 Ca 0.15 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1ot3 h GLN 181 Cb 0.00 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1ot3 h GLN 181 CO -0.03 0.66 0.02 0.93 -0.67 0.00 0.00 178.83 179.75 1ot3 h GLU 182 N 0.25 0.05 -0.87 1.46 5.08 -0.34 -0.56 114.58 119.65 1ot3 h GLU 182 Ca 0.07 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1ot3 h GLU 182 Cb 0.46 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 1ot3 h GLU 182 CO 0.02 0.03 0.57 -0.07 -1.00 0.00 0.00 179.01 178.56 1ot3 h LEU 183 N 0.05 0.95 -0.03 1.33 3.38 -1.17 -1.48 115.31 118.35 1ot3 h LEU 183 Ca 0.02 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1ot3 h LEU 183 Cb 0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1ot3 h LEU 183 CO -0.02 0.66 -0.11 -0.74 0.09 0.00 0.00 178.44 178.33 1ot3 h HIS 184 N 1.12 -0.27 -0.84 1.13 2.76 -0.60 -1.24 115.15 117.20 1ot3 h HIS 184 Ca 0.34 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.56 1ot3 h HIS 184 Cb -0.04 0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 1ot3 h HIS 184 CO -0.02 -0.17 0.55 0.93 -1.30 0.00 0.00 177.93 177.93 1ot3 h GLU 185 N -0.17 1.01 -0.28 5.26 4.39 -0.60 -1.97 114.58 122.21 1ot3 h GLU 185 Ca 0.05 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.58 1ot3 h GLU 185 Cb 0.24 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1ot3 h GLU 185 CO -0.13 0.67 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.05 1ot3 h LEU 186 N 1.04 0.58 -0.94 1.33 3.38 -0.74 -0.81 115.31 119.14 1ot3 h LEU 186 Ca 0.34 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1ot3 h LEU 186 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1ot3 h LEU 186 CO -0.10 0.83 -0.37 0.45 0.09 0.00 0.00 178.44 179.34 1ot3 h HIS 187 N 0.50 0.36 0.20 1.13 3.86 -0.62 -2.75 115.15 117.82 1ot3 h HIS 187 Ca 0.07 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 1ot3 h HIS 187 Cb 0.73 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.12 1ot3 h HIS 187 CO 0.03 0.64 -0.09 0.93 0.86 0.00 0.00 177.93 180.29 1ot3 h GLU 188 N 0.26 -0.25 -0.02 2.45 4.39 -0.98 0.19 114.58 120.62 1ot3 h GLU 188 Ca 0.03 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1ot3 h GLU 188 Cb 0.78 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 1ot3 h GLU 188 CO 0.06 0.13 0.07 -0.44 -1.16 0.00 0.00 179.01 177.67 1ot3 h ASP 189 N -0.73 0.00 0.00 1.42 3.32 -1.16 0.18 116.42 119.45 1ot3 h ASP 189 Ca -0.03 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.77 1ot3 h ASP 189 Cb 0.50 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 1ot3 h ASP 189 CO 0.04 0.00 -1.46 1.87 -1.72 0.00 0.00 179.24 177.98 1ot3 n TRP 190 N -3.28 0.75 -0.00 4.55 -0.00 -1.04 0.90 117.44 119.32 1ot3 n TRP 190 Ca -0.02 0.33 -0.20 0.00 -0.00 0.00 0.00 57.50 57.61 1ot3 n TRP 190 Cb 0.14 -1.02 -0.14 0.00 -0.00 0.00 0.00 31.31 30.29 1ot3 n TRP 190 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1ot3 n LEU 191 N -4.41 2.44 -0.03 5.87 4.77 0.65 -3.73 117.00 122.56 1ot3 n LEU 191 Ca -0.34 0.22 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 1ot3 n LEU 191 Cb 0.68 -0.96 -0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1ot3 n LEU 191 CO 0.14 0.80 -0.11 0.40 -1.33 0.00 0.00 177.39 177.30 1ot3 h ILE 192 N 0.06 0.00 0.00 -0.08 1.08 -1.17 -3.38 117.51 114.02 1ot3 h ILE 192 Ca -0.41 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 1ot3 h ILE 192 Cb 2.03 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.78 1ot3 h ILE 192 CO 0.08 0.00 0.00 1.41 -0.69 0.00 0.00 178.15 178.95 1ot3 n HIS 193 N -3.26 0.18 -3.90 1.37 8.25 0.45 -4.89 115.22 113.42 1ot3 n HIS 193 Ca -0.02 0.07 -0.29 0.00 -0.26 0.00 0.00 57.72 57.22 1ot3 n HIS 193 Cb 0.08 -0.61 0.02 0.00 1.12 0.00 0.00 29.99 30.60 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 -1.66 -5.32 0.00 -0.41 7.27 -1.14 -4.87 117.38 111.25 1ot3 n GLN 194 Ca 0.03 0.59 0.14 0.00 0.07 0.00 0.00 57.00 57.83 1ot3 n GLN 194 Cb 0.18 -5.41 0.53 0.00 2.41 0.00 0.00 30.24 27.95 1ot3 n GLN 194 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ot3 n ARG 195 N -4.61 0.39 -4.06 3.69 1.74 0.26 -4.86 116.66 109.20 1ot3 n ARG 195 Ca -0.02 -0.14 -0.30 0.00 -0.77 0.00 0.00 57.85 56.63 1ot3 n ARG 195 Cb 0.55 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 1ot3 n ARG 195 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ot3 s ARG 196 N -2.71 2.84 0.00 5.56 1.81 -1.24 -4.99 118.95 120.22 1ot3 s ARG 196 Ca 0.22 -0.73 0.00 0.00 -1.72 0.00 0.00 55.73 53.50 1ot3 s ARG 196 Cb 0.19 -2.69 0.00 0.00 -0.45 0.00 0.00 34.95 32.00 1ot3 s ARG 196 CO 0.54 0.55 0.32 -0.35 -0.68 0.00 0.00 175.30 175.68 1ot3 n PRO 197 N 0.39 0.24 -1.73 3.54 -0.04 -1.26 -4.87 135.00 131.27 1ot3 n PRO 197 Ca -0.09 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 1ot3 n PRO 197 Cb 0.52 -1.38 0.07 0.00 -0.04 0.00 0.00 33.50 32.67 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 1.20 1.18 -2.25 0.54 -0.06 -1.26 -4.98 117.38 111.76 1ot3 n GLN 198 Ca 0.00 0.46 -0.20 0.00 -2.00 0.00 0.00 57.00 55.26 1ot3 n GLN 198 Cb 0.12 -2.54 0.02 0.00 -4.06 0.00 0.00 30.24 23.78 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 -1.80 4.21 -3.46 1.69 3.41 -1.26 -5.07 113.62 111.33 1ot3 n SER 199 Ca 0.15 -3.42 -0.14 0.00 -0.26 0.00 0.00 58.87 55.21 1ot3 n SER 199 Cb 0.48 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1ot3 n SER 199 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ot3 n LYS 201 N 0.10 1.24 -4.65 0.00 4.76 -1.25 -4.84 118.16 113.51 1ot3 n LYS 201 Ca -0.17 0.46 -0.23 0.00 -2.87 0.00 0.00 58.31 55.49 1ot3 n LYS 201 Cb 0.62 -2.14 -0.16 0.00 -1.84 0.00 0.00 35.03 31.52 1ot3 n LYS 201 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1ot3 s VAL 202 N -1.37 1.15 -0.27 -0.18 1.01 -1.26 -1.47 120.40 118.00 1ot3 s VAL 202 Ca 0.68 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1ot3 s VAL 202 Cb -0.49 -0.99 0.06 0.00 0.00 0.00 0.00 36.38 34.96 1ot3 s VAL 202 CO 0.53 0.34 -0.08 -0.22 0.00 0.00 0.00 175.10 175.67 1ot3 s LEU 203 N -0.01 3.65 -0.28 3.92 2.96 0.12 -4.95 118.68 124.09 1ot3 s LEU 203 Ca -0.01 -1.49 -0.23 0.00 -0.22 0.00 0.00 54.13 52.18 1ot3 s LEU 203 Cb -0.09 -1.57 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1ot3 s LEU 203 CO 0.01 -0.22 0.75 -0.69 -1.32 0.00 0.00 176.35 174.88 1ot3 s VAL 204 N 1.08 4.85 -0.24 1.68 1.01 -1.26 -1.02 120.40 126.50 1ot3 s VAL 204 Ca -0.06 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.14 1ot3 s VAL 204 Cb -0.20 -4.09 0.04 0.00 0.00 0.00 0.00 36.38 32.13 1ot3 s VAL 204 CO -0.05 -0.15 -0.09 -0.76 0.00 0.00 0.00 175.10 174.04 1ot3 s LEU 205 N 2.81 3.14 -0.10 3.92 1.43 -0.70 -4.98 118.68 124.20 1ot3 s LEU 205 Ca 0.31 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.10 1ot3 s LEU 205 Cb -0.15 -1.60 -0.06 0.00 0.03 0.00 0.00 46.19 44.41 1ot3 s LEU 205 CO 0.11 -0.13 2.00 -0.62 0.23 0.00 0.00 176.35 177.93 1ot3 s ASP 206 N 1.25 6.06 -1.11 2.29 3.68 -1.26 -3.34 116.67 124.24 1ot3 s ASP 206 Ca -0.02 2.19 -0.02 0.00 2.13 0.00 0.00 52.55 56.83 1ot3 s ASP 206 Cb -0.17 -2.52 0.26 0.00 -1.45 0.00 0.00 42.92 39.03 1ot3 s ASP 206 CO -0.06 -1.43 2.02 0.00 0.13 0.00 0.00 175.17 175.82 1ot3 n ALA 207 N 9.27 6.32 -1.19 3.66 0.00 -1.02 -5.01 120.51 132.54 1ot3 n ALA 207 Ca 0.23 -4.42 0.00 0.00 0.00 0.00 0.00 53.44 49.25 1ot3 n ALA 207 Cb 0.43 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.52 1ot3 n ALA 207 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25