#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfy s GLU 2 N 0.00 4.36 -0.13 5.55 -1.05 -1.09 -4.85 118.70 121.49 1sfy s GLU 2 Ca 0.00 1.16 0.01 0.00 -0.15 0.00 0.00 54.97 55.99 1sfy s GLU 2 Cb 0.00 -3.55 0.02 0.00 -0.44 0.00 0.00 34.13 30.16 1sfy s GLU 2 CO 0.00 -0.28 -0.17 0.95 0.95 0.00 0.00 175.26 176.71 1sfy s THR 3 N 1.95 1.68 -0.08 1.83 -4.23 -1.26 -1.12 115.64 114.41 1sfy s THR 3 Ca 0.42 -0.73 -0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1sfy s THR 3 Cb -0.17 -1.53 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 1sfy s THR 3 CO 0.15 0.48 -0.04 -0.51 -0.54 0.00 0.00 174.62 174.17 1sfy s ILE 4 N 1.13 3.99 -0.22 2.99 2.07 -0.71 -4.98 121.20 125.48 1sfy s ILE 4 Ca -0.02 -0.37 -0.18 0.00 -1.41 0.00 0.00 60.65 58.67 1sfy s ILE 4 Cb -0.14 -2.66 0.06 0.00 0.13 0.00 0.00 42.46 39.85 1sfy s ILE 4 CO -0.05 0.60 0.57 -0.55 -1.91 0.00 0.00 174.94 173.59 1sfy s SER 5 N -0.79 -0.63 0.01 4.50 0.15 -1.26 -1.65 113.70 114.04 1sfy s SER 5 Ca 0.12 1.17 -0.12 0.00 0.70 0.00 0.00 55.95 57.82 1sfy s SER 5 Cb -0.11 1.15 0.01 0.00 -1.71 0.00 0.00 66.02 65.36 1sfy s SER 5 CO 0.02 -0.20 0.25 0.72 1.20 0.00 0.00 173.24 175.22 1sfy s PHE 6 N 0.56 -0.06 -0.18 3.44 -0.12 -0.48 -5.00 117.98 116.14 1sfy s PHE 6 Ca -0.02 -0.00 -0.07 0.00 -0.05 0.00 0.00 56.93 56.79 1sfy s PHE 6 Cb -0.05 0.04 0.08 0.00 -0.63 0.00 0.00 43.02 42.47 1sfy s PHE 6 CO -0.03 -0.40 0.40 0.45 -0.05 0.00 0.00 175.22 175.58 1sfy s SER 7 N -1.68 -0.20 -0.34 1.98 0.15 -1.26 -0.07 113.70 112.27 1sfy s SER 7 Ca -0.10 0.92 -0.03 0.00 0.70 0.00 0.00 55.95 57.44 1sfy s SER 7 Cb -0.04 1.18 0.07 0.00 -1.71 0.00 0.00 66.02 65.52 1sfy s SER 7 CO 0.00 -0.23 0.09 -0.36 1.20 0.00 0.00 173.24 173.95 1sfy s PHE 8 N 2.42 3.37 0.41 3.44 0.08 0.12 -4.92 117.98 122.90 1sfy s PHE 8 Ca -0.02 -1.96 0.18 0.00 0.12 0.00 0.00 56.93 55.25 1sfy s PHE 8 Cb -0.12 -2.52 1.04 0.00 -0.57 0.00 0.00 43.02 40.86 1sfy s PHE 8 CO -0.12 -0.84 1.96 0.77 -0.10 0.00 0.00 175.22 176.88 1sfy h SER 9 N 8.06 0.00 -5.00 1.36 0.02 -1.87 -2.51 113.55 113.61 1sfy h SER 9 Ca -0.19 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 1sfy h SER 9 Cb 1.06 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.54 1sfy h SER 9 CO 0.60 0.22 0.22 -1.83 -1.14 0.00 0.00 176.83 174.91 1sfy s GLU 10 N -4.35 1.70 -0.05 3.45 -1.05 -1.25 -4.51 118.70 112.63 1sfy s GLU 10 Ca -0.03 -0.90 -0.04 0.00 -0.15 0.00 0.00 54.97 53.85 1sfy s GLU 10 Cb 0.14 0.60 -0.04 0.00 -0.44 0.00 0.00 34.13 34.40 1sfy s GLU 10 CO 0.67 -0.77 0.14 -0.06 0.95 0.00 0.00 175.26 176.19 1sfy s PHE 11 N -3.89 3.49 -0.17 4.83 0.08 -0.08 -5.00 117.98 117.23 1sfy s PHE 11 Ca 0.09 0.38 -0.01 0.00 0.12 0.00 0.00 56.93 57.52 1sfy s PHE 11 Cb -0.05 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1sfy s PHE 11 CO 0.04 0.65 -0.13 -2.00 -0.10 0.00 0.00 175.22 173.67 1sfy s GLU 12 N -1.49 3.23 0.41 0.44 2.12 -1.26 -4.01 118.70 118.13 1sfy s GLU 12 Ca 0.21 -0.73 -0.27 0.00 0.36 0.00 0.00 54.97 54.54 1sfy s GLU 12 Cb -0.12 -2.70 -0.10 0.00 0.26 0.00 0.00 34.13 31.46 1sfy s GLU 12 CO 0.11 -0.06 1.41 -2.30 -0.54 0.00 0.00 175.26 173.89 1sfy n PRO 13 N 4.29 2.34 -0.99 4.30 -0.02 -1.26 -2.32 135.00 141.33 1sfy n PRO 13 Ca -0.19 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1sfy n PRO 13 Cb 0.51 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1sfy n PRO 13 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1sfy n GLY 14 N 0.59 0.56 3.73 -1.23 0.00 -1.26 -5.00 105.19 102.58 1sfy n GLY 14 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1sfy n GLY 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sfy s ASN 15 N -2.19 6.74 0.23 1.61 3.84 -0.98 -4.93 114.94 119.27 1sfy s ASN 15 Ca 0.00 2.50 0.07 0.00 0.21 0.00 0.00 52.86 55.64 1sfy s ASN 15 Cb 0.00 -2.60 0.23 0.00 -0.55 0.00 0.00 41.25 38.32 1sfy s ASN 15 CO 0.00 -0.67 1.54 0.44 -2.79 0.00 0.00 177.10 175.61 1sfy h ASP 16 N 5.93 0.12 0.00 -4.21 3.32 -1.94 -3.24 116.42 116.40 1sfy h ASP 16 Ca -0.44 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1sfy h ASP 16 Cb 1.21 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1sfy h ASP 16 CO 0.83 0.76 0.00 0.59 -1.72 0.00 0.00 179.24 179.70 1sfy n ASN 17 N -3.77 0.00 -4.12 6.45 5.03 -1.26 -4.71 115.26 112.89 1sfy n ASN 17 Ca -0.02 -1.17 -0.29 0.00 0.87 0.00 0.00 54.58 53.97 1sfy n ASN 17 Cb 0.67 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.26 1sfy n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1sfy s LEU 18 N -1.52 1.87 -0.29 3.41 1.02 -1.22 -0.40 118.68 121.55 1sfy s LEU 18 Ca 0.19 -0.46 -0.08 0.00 0.02 0.00 0.00 54.13 53.80 1sfy s LEU 18 Cb 0.09 -1.18 -0.01 0.00 0.02 0.00 0.00 46.19 45.11 1sfy s LEU 18 CO 0.15 0.07 0.11 -0.89 0.02 0.00 0.00 176.35 175.82 1sfy s THR 19 N 0.68 4.36 -0.12 5.49 2.01 -0.06 -4.88 115.64 123.12 1sfy s THR 19 Ca -0.12 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 1sfy s THR 19 Cb -0.16 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 69.11 1sfy s THR 19 CO 0.03 0.13 0.32 -0.76 -0.69 0.00 0.00 174.62 173.65 1sfy s LEU 20 N 1.58 4.31 0.14 4.42 1.02 -1.26 -1.27 118.68 127.63 1sfy s LEU 20 Ca 0.04 0.63 0.07 0.00 0.02 0.00 0.00 54.13 54.89 1sfy s LEU 20 Cb -0.17 -2.41 -0.04 0.00 0.02 0.00 0.00 46.19 43.59 1sfy s LEU 20 CO 0.05 0.17 -0.16 -1.10 0.02 0.00 0.00 176.35 175.32 1sfy s GLN 21 N 0.00 1.16 5.02 1.70 -0.21 -0.17 -5.00 119.66 122.16 1sfy s GLN 21 Ca 0.19 -1.33 0.00 0.00 0.02 0.00 0.00 55.36 54.24 1sfy s GLN 21 Cb -0.14 -1.13 0.00 0.00 1.00 0.00 0.00 33.01 32.74 1sfy s GLN 21 CO 0.06 0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 1sfy n GLY 22 N 0.40 2.29 0.24 3.09 0.00 -1.26 -1.91 105.19 108.03 1sfy n GLY 22 Ca -0.14 -0.44 0.16 0.00 0.00 0.00 0.00 46.02 45.60 1sfy n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfy h ALA 23 N -0.94 1.00 -0.97 4.61 0.00 -0.93 -3.46 119.26 118.56 1sfy h ALA 23 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.19 1sfy h ALA 23 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.86 1sfy h ALA 23 CO 0.00 0.00 -0.18 0.45 0.00 0.00 0.00 179.25 179.52 1sfy n SER 24 N -2.79 -0.50 -3.63 0.00 2.88 -1.01 -4.65 113.62 103.92 1sfy n SER 24 Ca 0.00 1.11 -0.15 0.00 -1.33 0.00 0.00 58.87 58.50 1sfy n SER 24 Cb 0.24 -0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 62.72 1sfy n SER 24 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1sfy s LEU 25 N 1.20 -0.15 -0.19 2.46 0.20 -0.50 -4.71 118.68 116.99 1sfy s LEU 25 Ca 0.78 0.73 -0.04 0.00 0.69 0.00 0.00 54.13 56.29 1sfy s LEU 25 Cb -1.10 2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 46.70 1sfy s LEU 25 CO 0.55 -0.43 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.51 1sfy s ILE 26 N -0.70 3.65 0.69 6.68 1.01 -1.26 0.16 121.20 131.43 1sfy s ILE 26 Ca -0.08 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1sfy s ILE 26 Cb -0.03 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.82 1sfy s ILE 26 CO 0.05 0.45 1.08 0.42 0.00 0.00 0.00 174.94 176.95 1sfy s THR 27 N 0.94 3.74 0.16 2.92 -4.23 -0.15 -4.79 115.64 114.23 1sfy s THR 27 Ca 0.00 0.56 0.31 0.00 -1.18 0.00 0.00 61.69 61.38 1sfy s THR 27 Cb -0.15 -3.54 0.34 0.00 1.34 0.00 0.00 72.50 70.49 1sfy s THR 27 CO 0.01 -0.74 1.96 1.56 -0.54 0.00 0.00 174.62 176.87 1sfy h GLN 28 N -0.60 0.00 0.00 3.99 4.20 -1.94 -1.95 115.11 118.81 1sfy h GLN 28 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 1sfy h GLN 28 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1sfy h GLN 28 CO 0.63 0.08 0.00 -1.13 -0.67 0.00 0.00 178.83 177.74 1sfy n SER 29 N -3.23 0.00 0.00 1.46 3.41 -1.26 -4.89 113.62 109.11 1sfy n SER 29 Ca 0.00 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.66 1sfy n SER 29 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1sfy n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sfy n GLY 30 N 0.82 0.74 3.68 5.00 0.00 -0.73 -4.95 105.19 109.75 1sfy n GLY 30 Ca 0.21 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1sfy n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sfy s VAL 31 N -2.00 4.19 -0.38 1.61 0.11 -1.26 -0.91 120.40 121.77 1sfy s VAL 31 Ca 0.00 -0.52 -0.18 0.00 -2.93 0.00 0.00 61.98 58.35 1sfy s VAL 31 Cb 0.00 -2.84 0.01 0.00 -1.53 0.00 0.00 36.38 32.01 1sfy s VAL 31 CO 0.00 0.43 0.50 -0.22 -3.33 0.00 0.00 175.10 172.48 1sfy s LEU 32 N -1.41 4.50 -0.51 2.54 2.96 -0.43 -0.98 118.68 125.36 1sfy s LEU 32 Ca 0.18 -0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 53.68 1sfy s LEU 32 Cb -0.11 -2.53 0.10 0.00 0.50 0.00 0.00 46.19 44.14 1sfy s LEU 32 CO 0.08 -0.53 0.46 -1.10 -1.32 0.00 0.00 176.35 173.95 1sfy s GLN 33 N 2.36 2.99 0.14 1.98 -0.21 0.12 -0.46 119.66 126.58 1sfy s GLN 33 Ca 0.17 -1.49 -0.16 0.00 0.02 0.00 0.00 55.36 53.90 1sfy s GLN 33 Cb -0.16 -4.21 -0.00 0.00 1.00 0.00 0.00 33.01 29.64 1sfy s GLN 33 CO 0.14 -1.19 1.70 -0.07 -2.12 0.00 0.00 175.29 173.75 1sfy h LEU 34 N 8.91 0.55 -9.49 2.90 3.38 -1.59 -1.33 115.31 118.64 1sfy h LEU 34 Ca -0.29 -0.15 -0.61 0.00 0.09 0.00 0.00 57.88 56.92 1sfy h LEU 34 Cb 1.10 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.60 1sfy h LEU 34 CO 0.96 0.55 -0.66 0.42 0.09 0.00 0.00 178.44 179.79 1sfy s THR 35 N -5.62 3.72 0.39 0.22 -4.23 -1.26 -2.49 115.64 106.36 1sfy s THR 35 Ca -0.13 -1.39 -0.28 0.00 -1.18 0.00 0.00 61.69 58.71 1sfy s THR 35 Cb 0.10 -2.86 -0.11 0.00 1.34 0.00 0.00 72.50 70.98 1sfy s THR 35 CO 0.75 -0.09 1.49 1.17 -0.54 0.00 0.00 174.62 177.40 1sfy n LYS 36 N -0.04 2.65 -4.55 3.99 4.81 -1.26 -4.78 118.16 118.97 1sfy n LYS 36 Ca -0.10 0.93 -0.31 0.00 -0.87 0.00 0.00 58.31 57.97 1sfy n LYS 36 Cb 0.55 -2.68 -0.17 0.00 0.02 0.00 0.00 35.03 32.76 1sfy n LYS 36 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1sfy s ILE 37 N -1.13 1.78 1.15 3.15 1.01 -1.26 -1.26 121.20 124.64 1sfy s ILE 37 Ca 0.54 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 60.22 1sfy s ILE 37 Cb -0.47 -1.59 0.26 0.00 0.01 0.00 0.00 42.46 40.67 1sfy s ILE 37 CO 0.63 0.50 1.08 0.20 0.00 0.00 0.00 174.94 177.35 1sfy s ASN 38 N 0.92 1.31 0.52 3.58 0.01 0.44 -4.86 114.94 116.86 1sfy s ASN 38 Ca -0.06 0.93 0.25 0.00 -0.71 0.00 0.00 52.86 53.27 1sfy s ASN 38 Cb -0.15 -1.40 1.45 0.00 0.41 0.00 0.00 41.25 41.57 1sfy s ASN 38 CO -0.02 -3.92 2.10 -0.61 -1.51 0.00 0.00 177.10 173.15 1sfy h GLN 39 N -2.43 0.00 -0.54 -0.60 5.75 -2.01 -0.46 115.11 114.82 1sfy h GLN 39 Ca -0.50 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1sfy h GLN 39 Cb 1.32 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.87 1sfy h GLN 39 CO 0.44 0.10 0.00 0.27 -2.65 0.00 0.00 178.83 176.99 1sfy n ASN 40 N -3.83 2.41 0.00 -0.69 6.94 -1.26 -4.89 115.26 113.94 1sfy n ASN 40 Ca -0.02 -2.18 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 1sfy n ASN 40 Cb 0.20 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 1sfy n ASN 40 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sfy n GLY 41 N 0.72 0.61 3.86 4.83 0.00 -0.18 -5.01 105.19 110.02 1sfy n GLY 41 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1sfy n GLY 41 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sfy s MET 42 N -0.39 3.24 0.24 1.61 -1.94 -1.26 -4.75 119.30 116.05 1sfy s MET 42 Ca 0.00 -0.50 -0.31 0.00 -1.71 0.00 0.00 55.69 53.16 1sfy s MET 42 Cb 0.00 -2.94 -0.13 0.00 2.01 0.00 0.00 34.83 33.78 1sfy s MET 42 CO 0.00 0.61 1.51 -0.35 -0.01 0.00 0.00 175.02 176.78 1sfy n PRO 43 N 0.51 2.30 -3.48 2.03 -0.04 -1.26 -0.42 135.00 134.63 1sfy n PRO 43 Ca -0.08 0.82 -0.34 0.00 -0.04 0.00 0.00 63.50 63.86 1sfy n PRO 43 Cb 0.52 -2.54 -0.05 0.00 -0.04 0.00 0.00 33.50 31.38 1sfy n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sfy s ALA 44 N 0.19 3.66 0.71 0.55 0.00 -0.39 -4.77 121.76 121.71 1sfy s ALA 44 Ca 0.69 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 52.32 1sfy s ALA 44 Cb -0.60 -2.38 0.09 0.00 0.00 0.00 0.00 23.12 20.24 1sfy s ALA 44 CO 0.46 0.52 1.00 1.67 0.00 0.00 0.00 175.76 179.42 1sfy s TRP 45 N -1.48 2.37 -1.32 0.00 1.48 -1.26 -4.41 118.94 114.33 1sfy s TRP 45 Ca 0.37 0.14 -0.01 0.00 -1.06 0.00 0.00 56.10 55.54 1sfy s TRP 45 Cb -0.14 -3.17 -0.00 0.00 -1.16 0.00 0.00 33.47 29.00 1sfy s TRP 45 CO 0.19 -1.55 0.64 -3.47 -4.06 0.00 0.00 176.95 168.71 1sfy n ASP 46 N -2.89 -1.25 -4.16 -2.66 2.03 0.13 -4.93 116.55 102.81 1sfy n ASP 46 Ca 0.11 -0.87 -0.21 0.00 0.52 0.00 0.00 54.79 54.33 1sfy n ASP 46 Cb 0.60 -3.82 -0.14 0.00 -0.72 0.00 0.00 41.12 37.04 1sfy n ASP 46 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1sfy s SER 47 N -4.31 1.81 -0.05 1.67 0.15 -1.26 -4.97 113.70 106.74 1sfy s SER 47 Ca 0.03 -0.44 -0.03 0.00 0.70 0.00 0.00 55.95 56.21 1sfy s SER 47 Cb -0.01 -0.14 0.03 0.00 -1.71 0.00 0.00 66.02 64.19 1sfy s SER 47 CO 0.83 0.08 0.13 -0.89 1.20 0.00 0.00 173.24 174.59 1sfy s THR 48 N -0.76 -0.03 -0.04 6.45 2.01 -1.26 -0.37 115.64 121.64 1sfy s THR 48 Ca 0.03 0.09 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 1sfy s THR 48 Cb -0.08 -0.21 0.03 0.00 0.01 0.00 0.00 72.50 72.26 1sfy s THR 48 CO 0.01 0.04 0.38 -0.83 -0.69 0.00 0.00 174.62 173.53 1sfy s GLY 49 N 0.62 -0.24 0.09 4.40 0.00 -0.86 -0.36 107.32 110.97 1sfy s GLY 49 Ca -0.05 0.61 -0.03 0.00 0.00 0.00 0.00 44.72 45.25 1sfy s GLY 49 CO -0.03 0.39 0.06 0.50 0.00 0.00 0.00 173.10 174.02 1sfy s ARG 50 N -1.04 0.79 -0.03 2.90 0.52 -0.80 -0.93 118.95 120.35 1sfy s ARG 50 Ca -0.11 -1.23 -0.01 0.00 -0.52 0.00 0.00 55.73 53.86 1sfy s ARG 50 Cb -0.04 0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.71 1sfy s ARG 50 CO 0.04 -0.21 0.06 0.99 0.02 0.00 0.00 175.30 176.21 1sfy s THR 51 N -3.95 -0.05 0.09 0.02 2.01 0.03 -1.00 115.64 112.79 1sfy s THR 51 Ca 0.12 0.19 0.08 0.00 0.31 0.00 0.00 61.69 62.39 1sfy s THR 51 Cb 0.07 -0.12 -0.03 0.00 0.01 0.00 0.00 72.50 72.43 1sfy s THR 51 CO -0.06 0.08 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.99 1sfy s LEU 52 N 1.00 2.27 0.07 4.42 1.02 -0.39 -0.65 118.68 126.41 1sfy s LEU 52 Ca -0.08 -0.64 -0.30 0.00 0.02 0.00 0.00 54.13 53.12 1sfy s LEU 52 Cb -0.11 -0.86 -0.05 0.00 0.02 0.00 0.00 46.19 45.19 1sfy s LEU 52 CO -0.03 0.06 1.12 -0.47 0.02 0.00 0.00 176.35 177.05 1sfy s TYR 53 N -1.09 3.53 0.30 0.29 5.04 -0.62 -0.89 117.35 123.91 1sfy s TYR 53 Ca 0.06 1.47 0.34 0.00 -2.44 0.00 0.00 57.07 56.49 1sfy s TYR 53 Cb -0.10 -3.31 1.84 0.00 0.35 0.00 0.00 41.96 40.75 1sfy s TYR 53 CO 0.03 -0.80 2.04 0.00 -1.34 0.00 0.00 175.55 175.48 1sfy h ALA 54 N 6.43 1.02 -3.32 3.97 0.00 -1.03 -3.42 119.26 122.90 1sfy h ALA 54 Ca -0.42 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.85 1sfy h ALA 54 Cb 1.21 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.81 1sfy h ALA 54 CO 0.78 -0.02 -0.64 0.15 0.00 0.00 0.00 179.25 179.51 1sfy s LYS 55 N -3.88 3.55 0.58 0.00 1.02 -1.26 -5.06 119.74 114.69 1sfy s LYS 55 Ca -0.04 -0.47 -0.17 0.00 0.02 0.00 0.00 55.97 55.31 1sfy s LYS 55 Cb 0.10 -2.92 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1sfy s LYS 55 CO 0.31 0.35 1.07 -1.25 -0.92 0.00 0.00 175.35 174.91 1sfy s PRO 56 N 0.07 3.34 -0.04 -1.68 0.04 -1.26 -4.78 135.00 130.68 1sfy s PRO 56 Ca 0.01 1.30 0.05 0.00 0.04 0.00 0.00 61.00 62.41 1sfy s PRO 56 Cb -0.13 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1sfy s PRO 56 CO 0.02 -0.81 -0.19 0.14 0.04 0.00 0.00 177.00 176.20 1sfy s VAL 57 N -2.27 2.60 -0.66 -0.36 -7.23 0.48 -4.91 120.40 108.04 1sfy s VAL 57 Ca 0.66 -0.89 -0.27 0.00 -1.81 0.00 0.00 61.98 59.67 1sfy s VAL 57 Cb -0.18 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.82 1sfy s VAL 57 CO 0.33 0.58 1.20 -2.28 -0.31 0.00 0.00 175.10 174.62 1sfy s HIS 58 N -0.57 2.47 -0.05 2.82 2.46 -1.26 -1.29 115.29 119.87 1sfy s HIS 58 Ca 0.08 0.08 0.13 0.00 0.47 0.00 0.00 55.06 55.82 1sfy s HIS 58 Cb -0.11 -4.52 -0.16 0.00 -0.13 0.00 0.00 32.58 27.66 1sfy s HIS 58 CO 0.01 -1.81 0.91 0.97 -2.47 0.00 0.00 174.74 172.35 1sfy h ILE 59 N 6.07 0.90 -2.31 0.89 6.09 -1.34 -3.44 117.51 124.37 1sfy h ILE 59 Ca -0.27 -2.56 0.02 0.00 -1.37 0.00 0.00 64.86 60.68 1sfy h ILE 59 Cb 1.06 2.38 -0.16 0.00 0.47 0.00 0.00 36.82 40.56 1sfy h ILE 59 CO 1.22 0.51 0.33 -1.66 -3.07 0.00 0.00 178.15 175.49 1sfy s TRP 60 N -2.76 -0.50 -0.19 2.19 1.48 -1.16 0.16 118.94 118.17 1sfy s TRP 60 Ca -0.02 0.57 -0.01 0.00 -1.06 0.00 0.00 56.10 55.58 1sfy s TRP 60 Cb 0.09 0.50 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 1sfy s TRP 60 CO 0.81 -0.63 -0.15 0.34 -4.06 0.00 0.00 176.95 173.27 1sfy s ASP 61 N -1.99 3.49 0.36 -2.66 2.15 -0.09 -4.48 116.67 113.45 1sfy s ASP 61 Ca -0.02 -0.57 0.12 0.00 0.43 0.00 0.00 52.55 52.51 1sfy s ASP 61 Cb -0.01 -1.56 0.70 0.00 -0.30 0.00 0.00 42.92 41.75 1sfy s ASP 61 CO -0.03 -0.01 1.82 -0.03 -0.17 0.00 0.00 175.17 176.75 1sfy h MET 62 N 7.99 0.03 0.00 4.34 1.85 -1.95 0.25 114.93 127.45 1sfy h MET 62 Ca -0.45 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 58.63 1sfy h MET 62 Cb 1.15 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.17 1sfy h MET 62 CO 0.63 0.40 -0.00 1.15 -0.40 0.00 0.00 176.91 178.68 1sfy h THR 63 N 0.03 1.29 0.00 -0.77 2.02 -1.96 -3.27 112.91 110.24 1sfy h THR 63 Ca 0.00 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1sfy h THR 63 Cb 0.66 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1sfy h THR 63 CO 0.05 0.22 -0.75 0.35 0.37 0.00 0.00 175.52 175.76 1sfy n THR 64 N -4.92 0.09 -1.02 3.16 -2.24 -1.21 -4.96 114.28 103.18 1sfy n THR 64 Ca -0.08 -0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 1sfy n THR 64 Cb 0.19 0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1sfy n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sfy n GLY 65 N 1.44 0.38 3.84 3.38 0.00 0.86 -5.01 105.19 110.09 1sfy n GLY 65 Ca 0.04 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1sfy n GLY 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfy s THR 66 N -1.69 4.73 0.03 2.61 -4.23 -1.16 -4.90 115.64 111.03 1sfy s THR 66 Ca 0.00 0.92 0.07 0.00 -1.18 0.00 0.00 61.69 61.49 1sfy s THR 66 Cb 0.00 -3.69 -0.02 0.00 1.34 0.00 0.00 72.50 70.13 1sfy s THR 66 CO 0.00 -0.00 -0.21 0.54 -0.54 0.00 0.00 174.62 174.41 1sfy s VAL 67 N -1.76 1.65 0.41 2.29 0.11 -1.26 -0.91 120.40 120.93 1sfy s VAL 67 Ca 0.48 -1.10 -0.16 0.00 -2.93 0.00 0.00 61.98 58.27 1sfy s VAL 67 Cb -0.13 -1.41 -0.09 0.00 -1.53 0.00 0.00 36.38 33.22 1sfy s VAL 67 CO 0.19 0.28 0.85 0.00 -3.33 0.00 0.00 175.10 173.10 1sfy s ALA 68 N -0.70 3.20 -0.09 1.54 0.00 0.12 -4.63 121.76 121.19 1sfy s ALA 68 Ca 0.08 0.10 -0.05 0.00 0.00 0.00 0.00 51.96 52.08 1sfy s ALA 68 Cb -0.09 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1sfy s ALA 68 CO 0.01 0.07 0.11 -1.12 0.00 0.00 0.00 175.76 174.83 1sfy s SER 69 N -2.66 6.10 0.15 0.00 0.01 -0.98 -4.51 113.70 111.82 1sfy s SER 69 Ca 0.56 0.37 -0.04 0.00 1.31 0.00 0.00 55.95 58.15 1sfy s SER 69 Cb -0.10 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.19 1sfy s SER 69 CO 0.23 0.38 0.16 0.72 0.41 0.00 0.00 173.24 175.14 1sfy s PHE 70 N -1.05 0.73 -0.15 2.43 -0.12 -1.01 -1.88 117.98 116.92 1sfy s PHE 70 Ca 0.17 -1.08 -0.14 0.00 -0.05 0.00 0.00 56.93 55.83 1sfy s PHE 70 Cb -0.12 -0.32 0.04 0.00 -0.63 0.00 0.00 43.02 41.99 1sfy s PHE 70 CO 0.06 -0.62 0.41 -2.00 -0.05 0.00 0.00 175.22 173.02 1sfy s GLU 71 N -4.03 0.47 0.02 1.99 2.12 -0.55 -0.62 118.70 118.09 1sfy s GLU 71 Ca 0.24 0.59 0.02 0.00 0.36 0.00 0.00 54.97 56.18 1sfy s GLU 71 Cb 0.06 0.20 -0.01 0.00 0.26 0.00 0.00 34.13 34.64 1sfy s GLU 71 CO 0.03 -0.07 -0.07 -0.08 -0.54 0.00 0.00 175.26 174.53 1sfy s THR 72 N 0.35 0.49 -0.01 -1.70 -1.32 0.05 -1.69 115.64 111.80 1sfy s THR 72 Ca -0.01 -0.64 0.01 0.00 -1.21 0.00 0.00 61.69 59.84 1sfy s THR 72 Cb -0.03 -0.49 0.01 0.00 -1.51 0.00 0.00 72.50 70.47 1sfy s THR 72 CO -0.01 -0.12 -0.04 -0.13 -2.21 0.00 0.00 174.62 172.11 1sfy s ARG 73 N -0.83 0.45 0.12 7.08 0.52 -0.44 -1.27 118.95 124.58 1sfy s ARG 73 Ca -0.04 -0.12 -0.19 0.00 -0.52 0.00 0.00 55.73 54.86 1sfy s ARG 73 Cb -0.06 -0.47 0.05 0.00 0.52 0.00 0.00 34.95 34.98 1sfy s ARG 73 CO 0.00 0.04 0.47 -0.59 0.02 0.00 0.00 175.30 175.24 1sfy s PHE 74 N 0.23 -0.32 -0.03 -0.53 -0.71 -0.99 -0.17 117.98 115.46 1sfy s PHE 74 Ca -0.02 0.09 0.04 0.00 -1.04 0.00 0.00 56.93 55.99 1sfy s PHE 74 Cb -0.06 0.35 -0.00 0.00 -1.21 0.00 0.00 43.02 42.09 1sfy s PHE 74 CO -0.00 -0.73 -0.13 -1.54 -1.34 0.00 0.00 175.22 171.48 1sfy s SER 75 N -2.65 1.66 0.30 1.98 1.04 -1.07 -0.45 113.70 114.49 1sfy s SER 75 Ca 0.01 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1sfy s SER 75 Cb 0.01 -0.38 -0.02 0.00 0.10 0.00 0.00 66.02 65.73 1sfy s SER 75 CO -0.11 0.13 0.33 0.72 0.98 0.00 0.00 173.24 175.29 1sfy s PHE 76 N -0.01 1.26 -0.09 5.02 -0.71 -0.45 -0.98 117.98 122.02 1sfy s PHE 76 Ca -0.01 -1.39 -0.08 0.00 -1.04 0.00 0.00 56.93 54.41 1sfy s PHE 76 Cb -0.09 -0.38 0.02 0.00 -1.21 0.00 0.00 43.02 41.37 1sfy s PHE 76 CO 0.01 -0.92 0.24 -1.54 -1.34 0.00 0.00 175.22 171.67 1sfy s SER 77 N -3.25 -0.25 -0.15 1.98 1.04 -0.71 0.67 113.70 113.03 1sfy s SER 77 Ca 0.35 0.48 0.01 0.00 0.48 0.00 0.00 55.95 57.28 1sfy s SER 77 Cb 0.02 0.49 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1sfy s SER 77 CO 0.20 -0.08 -0.19 -0.63 0.98 0.00 0.00 173.24 173.52 1sfy s ILE 78 N 0.13 1.88 -0.17 -1.02 1.01 -1.26 -2.51 121.20 119.26 1sfy s ILE 78 Ca -0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1sfy s ILE 78 Cb -0.02 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.74 1sfy s ILE 78 CO 0.00 0.51 -0.10 -0.70 0.00 0.00 0.00 174.94 174.65 1sfy s GLU 79 N 1.18 3.35 -0.70 2.79 2.12 -1.25 -1.90 118.70 124.29 1sfy s GLU 79 Ca 0.01 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 54.64 1sfy s GLU 79 Cb -0.14 -2.78 0.18 0.00 0.26 0.00 0.00 34.13 31.65 1sfy s GLU 79 CO -0.08 0.01 0.54 -0.65 -0.54 0.00 0.00 175.26 174.53 1sfy s GLN 80 N 0.89 2.79 0.45 4.30 -0.21 -1.26 -1.66 119.66 124.95 1sfy s GLN 80 Ca -0.03 -2.72 0.25 0.00 0.02 0.00 0.00 55.36 52.88 1sfy s GLN 80 Cb -0.15 -3.81 0.55 0.00 1.00 0.00 0.00 33.01 30.59 1sfy s GLN 80 CO 0.00 -1.20 1.68 -1.00 -2.12 0.00 0.00 175.29 172.65 1sfy h PRO 81 N 6.79 0.00 -6.39 2.91 0.13 -1.97 -3.46 132.00 130.01 1sfy h PRO 81 Ca 0.03 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.62 1sfy h PRO 81 Cb 0.92 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 1sfy h PRO 81 CO 0.74 0.04 0.05 0.71 -0.23 0.00 0.00 178.00 179.31 1sfy s TYR 82 N -3.30 3.79 0.23 1.56 1.51 -1.26 -4.95 117.35 114.92 1sfy s TYR 82 Ca 0.05 1.39 0.02 0.00 -1.01 0.00 0.00 57.07 57.52 1sfy s TYR 82 Cb 0.06 -2.59 0.22 0.00 -0.11 0.00 0.00 41.96 39.54 1sfy s TYR 82 CO 0.65 0.51 1.55 1.15 -1.11 0.00 0.00 175.55 178.30 1sfy h THR 83 N 3.26 1.36 -2.19 -0.71 2.02 -1.96 -3.47 112.91 111.22 1sfy h THR 83 Ca -0.48 -1.90 0.09 0.00 0.77 0.00 0.00 66.41 64.89 1sfy h THR 83 Cb 1.21 1.92 -0.16 0.00 -1.74 0.00 0.00 68.15 69.37 1sfy h THR 83 CO 0.65 0.57 0.48 -0.13 0.37 0.00 0.00 175.52 177.45 1sfy s ARG 84 N -3.85 0.81 0.00 6.66 3.00 -1.26 -4.81 118.95 119.50 1sfy s ARG 84 Ca -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 55.73 55.46 1sfy s ARG 84 Cb 0.12 0.38 0.00 0.00 0.00 0.00 0.00 34.95 35.45 1sfy s ARG 84 CO 0.81 -0.34 0.00 -0.35 0.00 0.00 0.00 175.30 175.42 1sfy n PRO 85 N -0.05 0.15 -1.98 3.54 -0.04 -1.26 -4.93 135.00 130.43 1sfy n PRO 85 Ca -0.10 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.95 1sfy n PRO 85 Cb 0.61 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.06 1sfy n PRO 85 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sfy s LEU 86 N 0.00 4.38 0.74 1.53 1.02 -1.26 -4.81 118.68 120.27 1sfy s LEU 86 Ca 0.00 2.85 -0.11 0.00 0.02 0.00 0.00 54.13 56.89 1sfy s LEU 86 Cb 0.00 -3.66 0.04 0.00 0.02 0.00 0.00 46.19 42.59 1sfy s LEU 86 CO 0.00 -0.69 1.08 -2.16 0.02 0.00 0.00 176.35 174.61 1sfy s PRO 87 N -1.90 2.52 0.03 1.29 0.04 -1.26 -4.52 135.00 131.19 1sfy s PRO 87 Ca 0.51 1.11 -0.28 0.00 0.04 0.00 0.00 61.00 62.37 1sfy s PRO 87 Cb -0.43 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.28 1sfy s PRO 87 CO 0.57 -1.44 0.90 0.00 0.04 0.00 0.00 177.00 177.07 1sfy s ALA 88 N -2.92 -1.79 -0.02 8.56 0.00 -1.24 -4.33 121.76 120.01 1sfy s ALA 88 Ca 0.60 0.84 0.03 0.00 0.00 0.00 0.00 51.96 53.43 1sfy s ALA 88 Cb -0.16 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1sfy s ALA 88 CO 0.55 -0.76 0.03 -0.25 0.00 0.00 0.00 175.76 175.33 1sfy n ASP 89 N -0.29 4.26 0.00 0.00 8.00 0.27 -2.97 116.55 125.82 1sfy n ASP 89 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1sfy n ASP 89 Cb 0.62 0.79 0.00 0.00 -0.02 0.00 0.00 41.12 42.51 1sfy n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sfy n GLY 90 N 2.63 0.86 3.18 0.44 0.00 -1.08 -1.62 105.19 109.60 1sfy n GLY 90 Ca -0.03 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1sfy n GLY 90 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1sfy s LEU 91 N 0.00 2.51 0.01 0.99 0.05 -0.99 -1.76 118.68 119.50 1sfy s LEU 91 Ca 0.00 -1.00 -0.03 0.00 0.05 0.00 0.00 54.13 53.14 1sfy s LEU 91 Cb 0.00 -0.11 -0.01 0.00 -2.05 0.00 0.00 46.19 44.02 1sfy s LEU 91 CO 0.00 -0.45 0.05 0.68 -0.55 0.00 0.00 176.35 176.08 1sfy s VAL 92 N -3.56 0.10 -0.18 1.48 -7.23 0.82 -1.05 120.40 110.78 1sfy s VAL 92 Ca 0.12 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.40 1sfy s VAL 92 Cb 0.05 -0.37 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 1sfy s VAL 92 CO -0.04 -0.45 0.04 0.12 -0.31 0.00 0.00 175.10 174.46 1sfy s PHE 93 N -1.48 3.20 0.09 2.82 5.36 -0.83 -1.02 117.98 126.12 1sfy s PHE 93 Ca -0.15 -0.01 -0.02 0.00 -0.96 0.00 0.00 56.93 55.79 1sfy s PHE 93 Cb -0.09 -2.06 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 1sfy s PHE 93 CO -0.00 0.11 0.04 -0.59 -1.46 0.00 0.00 175.22 173.32 1sfy s PHE 94 N 0.38 0.60 -0.02 10.12 -0.71 -0.12 -0.94 117.98 127.28 1sfy s PHE 94 Ca 0.02 -1.06 0.02 0.00 -1.04 0.00 0.00 56.93 54.86 1sfy s PHE 94 Cb -0.13 -0.37 0.00 0.00 -1.21 0.00 0.00 43.02 41.32 1sfy s PHE 94 CO 0.01 -0.47 -0.07 -1.64 -1.34 0.00 0.00 175.22 171.71 1sfy s MET 95 N -3.96 0.71 0.00 1.99 -1.94 0.29 -1.43 119.30 114.96 1sfy s MET 95 Ca 0.13 -0.24 -0.00 0.00 -1.71 0.00 0.00 55.69 53.87 1sfy s MET 95 Cb 0.07 -0.69 0.00 0.00 2.01 0.00 0.00 34.83 36.22 1sfy s MET 95 CO -0.05 0.10 0.01 0.41 -0.01 0.00 0.00 175.02 175.48 1sfy n GLY 96 N 3.20 1.40 3.68 -0.03 0.00 -0.99 -0.82 105.19 111.63 1sfy n GLY 96 Ca -0.17 -0.94 -0.44 0.00 0.00 0.00 0.00 46.02 44.48 1sfy n GLY 96 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1sfy n PRO 97 N -0.01 2.05 -0.98 1.61 -0.02 -1.25 -1.13 135.00 135.26 1sfy n PRO 97 Ca -0.00 0.72 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 1sfy n PRO 97 Cb 0.01 -2.33 0.13 0.00 -0.02 0.00 0.00 33.50 31.29 1sfy n PRO 97 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sfy s THR 98 N -0.62 2.38 -1.50 3.45 -4.23 -1.26 -3.51 115.64 110.35 1sfy s THR 98 Ca 0.61 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 61.14 1sfy s THR 98 Cb -0.61 -2.38 0.07 0.00 1.34 0.00 0.00 72.50 70.92 1sfy s THR 98 CO 0.56 -0.15 0.94 2.29 -0.54 0.00 0.00 174.62 177.72 1sfy n LYS 99 N -3.74 -5.43 -2.61 3.99 -0.00 -1.26 -4.97 118.16 104.13 1sfy n LYS 99 Ca 0.12 0.60 -0.29 0.00 -0.00 0.00 0.00 58.31 58.74 1sfy n LYS 99 Cb 0.52 -5.44 -0.01 0.00 -0.00 0.00 0.00 35.03 30.10 1sfy n LYS 99 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1sfy s SER 100 N -3.47 6.35 0.31 -5.58 1.04 -1.23 -5.10 113.70 106.03 1sfy s SER 100 Ca 0.57 1.06 0.10 0.00 0.48 0.00 0.00 55.95 58.15 1sfy s SER 100 Cb -0.28 -2.30 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1sfy s SER 100 CO 0.83 -0.55 -0.04 -0.54 0.98 0.00 0.00 173.24 173.92 1sfy s LYS 101 N -4.49 2.04 0.28 4.02 -0.14 -1.26 -5.09 119.74 115.10 1sfy s LYS 101 Ca 0.50 -1.69 -0.30 0.00 -1.36 0.00 0.00 55.97 53.12 1sfy s LYS 101 Cb -0.10 -1.94 -0.13 0.00 -1.68 0.00 0.00 37.83 33.98 1sfy s LYS 101 CO 0.41 0.22 1.38 -2.30 -0.76 0.00 0.00 175.35 174.30 1sfy n PRO 102 N -0.87 2.12 0.00 -1.68 -0.02 -1.26 -5.00 135.00 128.29 1sfy n PRO 102 Ca -0.05 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 1sfy n PRO 102 Cb 0.61 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1sfy n PRO 102 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sfy n ALA 103 N 1.34 0.00 -1.78 3.55 0.00 -0.61 -5.01 120.51 118.00 1sfy n ALA 103 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.16 1sfy n ALA 103 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 1sfy n ALA 103 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sfy s GLN 104 N 3.01 3.89 0.00 0.00 -1.52 -0.25 -4.72 119.66 120.08 1sfy s GLN 104 Ca 0.00 1.66 0.00 0.00 -1.95 0.00 0.00 55.36 55.07 1sfy s GLN 104 Cb 0.00 -2.43 0.00 0.00 -0.22 0.00 0.00 33.01 30.36 1sfy s GLN 104 CO 0.00 -0.41 0.00 0.41 -0.25 0.00 0.00 175.29 175.04 1sfy n GLY 105 N 0.37 0.92 7.00 3.09 0.00 -1.26 0.12 105.19 115.42 1sfy n GLY 105 Ca 0.07 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1sfy n GLY 105 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sfy n TYR 106 N 0.00 0.00 0.22 1.61 4.01 -1.26 -1.86 117.16 119.88 1sfy n TYR 106 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 1sfy n TYR 106 Cb 0.00 0.02 0.68 0.00 -0.31 0.00 0.00 39.34 39.73 1sfy n TYR 106 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1sfy h GLY 107 N 0.00 0.00 0.35 2.72 0.00 -1.92 0.74 103.07 104.96 1sfy h GLY 107 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sfy h GLY 107 CO 0.00 0.00 -0.03 -1.72 0.00 0.00 0.00 176.54 174.79 1sfy n TYR 108 N -2.45 0.00 -1.22 5.60 4.01 -0.78 -4.91 117.16 117.42 1sfy n TYR 108 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 1sfy n TYR 108 Cb 0.16 -0.04 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 1sfy n TYR 108 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1sfy n LEU 109 N -0.49 -0.63 -0.01 7.72 4.77 0.25 -1.87 117.00 126.75 1sfy n LEU 109 Ca 0.20 0.25 -0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1sfy n LEU 109 Cb 0.25 -1.81 -0.00 0.00 -2.33 0.00 0.00 43.42 39.53 1sfy n LEU 109 CO 0.19 -0.61 -0.00 0.61 -1.33 0.00 0.00 177.39 176.24 1sfy n GLY 110 N -0.09 0.47 0.00 -0.72 0.00 0.12 -4.35 105.19 100.61 1sfy n GLY 110 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1sfy n GLY 110 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1sfy n ILE 111 N -2.93 0.00 -4.30 -0.61 -5.35 -0.78 -1.58 119.36 103.81 1sfy n ILE 111 Ca -0.00 -0.37 -0.16 0.00 -0.27 0.00 0.00 62.75 61.95 1sfy n ILE 111 Cb 0.04 1.09 -0.10 0.00 -1.74 0.00 0.00 39.64 38.93 1sfy n ILE 111 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1sfy s PHE 112 N -0.49 1.46 -0.07 4.28 0.08 -1.15 -4.84 117.98 117.26 1sfy s PHE 112 Ca 0.00 -0.76 0.13 0.00 0.12 0.00 0.00 56.93 56.42 1sfy s PHE 112 Cb 0.00 -0.77 -0.19 0.00 -0.57 0.00 0.00 43.02 41.50 1sfy s PHE 112 CO 0.00 0.12 0.19 0.09 -0.10 0.00 0.00 175.22 175.51 1sfy n ASN 113 N -0.31 1.84 -2.59 1.36 3.02 -1.26 -1.09 115.26 116.23 1sfy n ASN 113 Ca -0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.36 1sfy n ASN 113 Cb 0.62 1.27 -0.01 0.00 -0.61 0.00 0.00 39.78 41.04 1sfy n ASN 113 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1sfy n ASN 114 N -2.20 -1.35 -1.14 6.41 0.23 -1.26 -4.83 115.26 111.12 1sfy n ASN 114 Ca -0.11 -2.48 0.08 0.00 -0.53 0.00 0.00 54.58 51.54 1sfy n ASN 114 Cb 0.61 2.40 0.26 0.00 -2.08 0.00 0.00 39.78 40.97 1sfy n ASN 114 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1sfy n SER 115 N -1.63 3.33 -4.83 0.53 3.41 -1.26 -4.62 113.62 108.55 1sfy n SER 115 Ca -0.02 -2.18 -0.37 0.00 -0.26 0.00 0.00 58.87 56.04 1sfy n SER 115 Cb 0.48 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.94 1sfy n SER 115 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1sfy s LYS 116 N -1.54 4.02 -0.40 4.33 3.01 -1.26 -4.73 119.74 123.17 1sfy s LYS 116 Ca 0.37 0.53 -0.29 0.00 -1.01 0.00 0.00 55.97 55.57 1sfy s LYS 116 Cb 0.22 -3.13 0.02 0.00 -1.01 0.00 0.00 37.83 33.93 1sfy s LYS 116 CO 0.21 0.61 1.21 -1.14 0.51 0.00 0.00 175.35 176.75 1sfy s GLN 117 N -1.40 3.81 -0.24 1.68 0.74 -1.26 -4.74 119.66 118.25 1sfy s GLN 117 Ca 0.30 0.88 -0.00 0.00 0.05 0.00 0.00 55.36 56.59 1sfy s GLN 117 Cb -0.17 -3.89 0.07 0.00 1.10 0.00 0.00 33.01 30.12 1sfy s GLN 117 CO 0.17 -1.26 -0.01 0.34 -0.55 0.00 0.00 175.29 173.98 1sfy s ASP 118 N 2.63 3.67 0.12 6.67 -1.08 -0.86 -4.97 116.67 122.85 1sfy s ASP 118 Ca 0.52 -1.19 0.06 0.00 -0.52 0.00 0.00 52.55 51.42 1sfy s ASP 118 Cb -0.11 -1.01 0.32 0.00 -1.46 0.00 0.00 42.92 40.66 1sfy s ASP 118 CO 0.27 -0.28 1.08 0.59 0.52 0.00 0.00 175.17 177.34 1sfy n ASN 119 N 4.77 0.15 0.25 -0.34 5.03 -1.26 -0.08 115.26 123.79 1sfy n ASN 119 Ca -0.09 0.47 0.13 0.00 0.87 0.00 0.00 54.58 55.96 1sfy n ASN 119 Cb 0.44 -0.46 0.56 0.00 -1.02 0.00 0.00 39.78 39.31 1sfy n ASN 119 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 1sfy h SER 120 N 0.00 0.00 -0.75 6.41 0.87 -1.93 -3.07 113.55 115.08 1sfy h SER 120 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1sfy h SER 120 Cb 0.31 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1sfy h SER 120 CO 0.00 0.12 0.25 1.88 -0.53 0.00 0.00 176.83 178.56 1sfy h TYR 121 N 0.00 1.19 -6.46 2.24 0.05 -0.82 -3.47 116.97 109.70 1sfy h TYR 121 Ca -0.00 -0.11 -0.50 0.00 0.05 0.00 0.00 58.73 58.17 1sfy h TYR 121 Cb 0.63 -0.35 -0.08 0.00 1.01 0.00 0.00 36.73 37.94 1sfy h TYR 121 CO 0.00 0.93 -0.82 1.04 -1.05 0.00 0.00 178.16 178.26 1sfy n GLN 122 N -4.27 -4.17 -5.02 4.88 6.02 -1.16 -4.59 117.38 109.06 1sfy n GLN 122 Ca 0.06 0.48 -0.28 0.00 -0.01 0.00 0.00 57.00 57.25 1sfy n GLN 122 Cb 0.22 -5.09 -0.16 0.00 1.02 0.00 0.00 30.24 26.23 1sfy n GLN 122 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1sfy s THR 123 N -3.52 1.70 -0.09 5.09 2.01 -1.26 -3.93 115.64 115.64 1sfy s THR 123 Ca 0.43 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.60 1sfy s THR 123 Cb -0.23 -1.45 -0.00 0.00 0.01 0.00 0.00 72.50 70.84 1sfy s THR 123 CO 0.87 0.48 -0.24 -0.22 -0.69 0.00 0.00 174.62 174.83 1sfy s LEU 124 N -0.07 2.07 -0.01 4.42 2.96 -0.00 -1.23 118.68 126.82 1sfy s LEU 124 Ca -0.03 -0.54 -0.07 0.00 -0.22 0.00 0.00 54.13 53.27 1sfy s LEU 124 Cb -0.12 -1.37 0.01 0.00 0.50 0.00 0.00 46.19 45.20 1sfy s LEU 124 CO 0.03 0.16 0.15 -0.83 -1.32 0.00 0.00 176.35 174.54 1sfy s GLY 125 N 0.29 0.00 -0.33 7.98 0.00 0.12 -0.55 107.32 114.83 1sfy s GLY 125 Ca -0.17 0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 1sfy s GLY 125 CO 0.08 -0.11 0.06 0.14 0.00 0.00 0.00 173.10 173.27 1sfy s VAL 126 N -1.03 3.01 0.22 1.40 1.01 -0.12 0.45 120.40 125.34 1sfy s VAL 126 Ca -0.11 -1.64 -0.01 0.00 0.00 0.00 0.00 61.98 60.21 1sfy s VAL 126 Cb -0.06 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1sfy s VAL 126 CO 0.01 -0.30 0.42 -1.83 0.00 0.00 0.00 175.10 173.39 1sfy s GLU 127 N 1.19 3.53 -0.53 2.72 -1.05 0.70 -1.97 118.70 123.30 1sfy s GLU 127 Ca -0.00 -0.30 0.04 0.00 -0.15 0.00 0.00 54.97 54.56 1sfy s GLU 127 Cb -0.20 -2.81 0.15 0.00 -0.44 0.00 0.00 34.13 30.83 1sfy s GLU 127 CO -0.02 0.37 0.35 -0.06 0.95 0.00 0.00 175.26 176.85 1sfy s PHE 128 N -1.91 2.43 -0.13 4.83 0.08 -0.22 -0.97 117.98 122.10 1sfy s PHE 128 Ca 0.39 -2.79 -0.26 0.00 0.12 0.00 0.00 56.93 54.39 1sfy s PHE 128 Cb -0.11 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1sfy s PHE 128 CO 0.29 -0.70 0.87 0.34 -0.10 0.00 0.00 175.22 175.91 1sfy s ASP 129 N -0.41 7.06 0.00 1.36 -1.08 -0.26 -2.33 116.67 121.00 1sfy s ASP 129 Ca 0.24 1.30 0.13 0.00 -0.52 0.00 0.00 52.55 53.70 1sfy s ASP 129 Cb -0.11 -2.48 -0.02 0.00 -1.46 0.00 0.00 42.92 38.85 1sfy s ASP 129 CO -0.10 -0.36 0.72 0.35 0.52 0.00 0.00 175.17 176.29 1sfy n THR 130 N 4.50 0.00 -4.85 1.71 -2.24 -0.64 -1.09 114.28 111.68 1sfy n THR 130 Ca 0.05 -0.34 -0.25 0.00 -2.27 0.00 0.00 64.05 61.23 1sfy n THR 130 Cb 0.49 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.70 1sfy n THR 130 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1sfy s PHE 131 N -1.71 1.64 -0.50 4.78 5.36 -1.24 -4.69 117.98 121.63 1sfy s PHE 131 Ca 0.10 -0.37 -0.20 0.00 -0.96 0.00 0.00 56.93 55.50 1sfy s PHE 131 Cb 0.10 -1.07 0.05 0.00 -0.34 0.00 0.00 43.02 41.76 1sfy s PHE 131 CO 0.36 -0.08 0.69 0.45 -1.46 0.00 0.00 175.22 175.18 1sfy s SER 132 N -0.26 6.27 0.70 6.13 0.15 -1.26 -4.99 113.70 120.44 1sfy s SER 132 Ca 0.03 -0.67 -0.03 0.00 0.70 0.00 0.00 55.95 55.98 1sfy s SER 132 Cb -0.09 -2.33 0.10 0.00 -1.71 0.00 0.00 66.02 62.00 1sfy s SER 132 CO 0.00 -0.93 0.98 0.20 1.20 0.00 0.00 173.24 174.69 1sfy s ASN 133 N 2.56 4.53 0.54 5.45 -0.87 -1.26 -4.91 114.94 120.98 1sfy s ASN 133 Ca 0.20 -0.03 0.25 0.00 -1.57 0.00 0.00 52.86 51.71 1sfy s ASN 133 Cb -0.17 -0.49 1.43 0.00 -0.02 0.00 0.00 41.25 42.00 1sfy s ASN 133 CO 0.15 -1.73 2.02 0.06 -2.57 0.00 0.00 177.10 175.03 1sfy h GLN 134 N -0.53 0.00 -0.01 -0.60 -0.00 -1.98 -0.34 115.11 111.65 1sfy h GLN 134 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 1sfy h GLN 134 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1sfy h GLN 134 CO 0.47 0.00 -0.12 -2.67 -0.00 0.00 0.00 178.83 176.51 1sfy n TRP 135 N -4.27 0.00 -3.54 0.06 2.14 -1.26 -4.95 117.44 105.62 1sfy n TRP 135 Ca 0.07 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.42 1sfy n TRP 135 Cb 0.52 -0.04 -0.01 0.00 -0.81 0.00 0.00 31.31 30.97 1sfy n TRP 135 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1sfy s ASP 136 N -2.20 6.20 0.82 -0.67 1.01 -0.14 -4.80 116.67 116.89 1sfy s ASP 136 Ca 0.31 0.21 -0.12 0.00 0.71 0.00 0.00 52.55 53.66 1sfy s ASP 136 Cb 0.20 -1.80 0.08 0.00 1.01 0.00 0.00 42.92 42.41 1sfy s ASP 136 CO 0.41 -0.29 1.10 -2.16 0.21 0.00 0.00 175.17 174.44 1sfy s PRO 137 N -4.22 1.91 0.28 8.23 0.04 -1.26 -4.77 135.00 135.22 1sfy s PRO 137 Ca 0.40 0.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.02 1sfy s PRO 137 Cb -0.09 -1.90 0.42 0.00 0.04 0.00 0.00 34.50 32.96 1sfy s PRO 137 CO 0.33 -1.74 1.94 -1.35 0.04 0.00 0.00 177.00 176.22 1sfy h PRO 138 N -1.17 1.13 -6.55 0.56 0.11 -1.98 -3.44 132.00 120.66 1sfy h PRO 138 Ca -0.48 -0.07 -0.53 0.00 0.11 0.00 0.00 66.00 65.04 1sfy h PRO 138 Cb 1.28 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1sfy h PRO 138 CO 0.59 0.75 0.49 -0.65 -0.21 0.00 0.00 178.00 178.97 1sfy s GLN 139 N -5.98 4.52 -0.02 1.05 1.11 -1.26 -4.87 119.66 114.21 1sfy s GLN 139 Ca -0.12 1.69 -0.05 0.00 0.01 0.00 0.00 55.36 56.88 1sfy s GLN 139 Cb 0.19 -3.34 0.00 0.00 -1.01 0.00 0.00 33.01 28.85 1sfy s GLN 139 CO 0.80 -0.08 0.12 0.14 0.01 0.00 0.00 175.29 176.29 1sfy s VAL 140 N 0.49 0.05 0.76 1.09 -7.23 -1.26 -4.35 120.40 109.95 1sfy s VAL 140 Ca 0.54 -0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 60.18 1sfy s VAL 140 Cb -0.28 -0.31 0.05 0.00 0.56 0.00 0.00 36.38 36.39 1sfy s VAL 140 CO 0.31 -0.23 1.08 -2.16 -0.31 0.00 0.00 175.10 173.80 1sfy s PRO 141 N -0.76 2.41 0.01 4.82 0.04 -1.25 -4.95 135.00 135.32 1sfy s PRO 141 Ca -0.08 0.75 -0.10 0.00 0.04 0.00 0.00 61.00 61.60 1sfy s PRO 141 Cb -0.05 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1sfy s PRO 141 CO 0.01 -1.42 0.21 -3.38 0.04 0.00 0.00 177.00 172.46 1sfy s HIS 142 N -3.12 -0.02 0.07 0.56 -3.43 -0.25 -2.03 115.29 107.07 1sfy s HIS 142 Ca 0.60 -0.07 -0.14 0.00 -0.80 0.00 0.00 55.06 54.65 1sfy s HIS 142 Cb -0.14 0.00 -0.06 0.00 -1.43 0.00 0.00 32.58 30.95 1sfy s HIS 142 CO 0.54 -0.37 0.47 0.42 -2.00 0.00 0.00 174.74 173.80 1sfy s ILE 143 N -1.80 4.96 -0.04 -5.38 1.01 0.11 -1.11 121.20 118.95 1sfy s ILE 143 Ca -0.11 0.78 -0.08 0.00 0.00 0.00 0.00 60.65 61.24 1sfy s ILE 143 Cb -0.05 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.71 1sfy s ILE 143 CO 0.00 0.41 0.20 -0.83 0.00 0.00 0.00 174.94 174.72 1sfy s GLY 144 N -1.44 -0.09 -0.34 6.18 0.00 -0.15 -0.68 107.32 110.80 1sfy s GLY 144 Ca 0.31 0.32 -0.11 0.00 0.00 0.00 0.00 44.72 45.24 1sfy s GLY 144 CO 0.17 0.21 0.20 -0.42 0.00 0.00 0.00 173.10 173.26 1sfy s ILE 145 N -0.55 4.84 -0.25 0.90 1.01 -0.86 -0.21 121.20 126.08 1sfy s ILE 145 Ca -0.06 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 1sfy s ILE 145 Cb -0.04 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 1sfy s ILE 145 CO 0.01 -0.05 0.09 -1.81 0.00 0.00 0.00 174.94 173.18 1sfy s ASP 146 N 1.64 5.35 -0.34 3.58 1.01 0.17 -1.79 116.67 126.28 1sfy s ASP 146 Ca 0.05 -0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.21 1sfy s ASP 146 Cb -0.18 -1.96 0.10 0.00 1.01 0.00 0.00 42.92 41.89 1sfy s ASP 146 CO 0.08 -0.01 0.05 -0.69 0.21 0.00 0.00 175.17 174.81 1sfy s VAL 147 N 1.50 2.26 -1.95 -1.27 1.01 -1.26 -0.70 120.40 119.99 1sfy s VAL 147 Ca 0.06 -2.34 0.00 0.00 0.00 0.00 0.00 61.98 59.70 1sfy s VAL 147 Cb -0.15 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.55 1sfy s VAL 147 CO 0.05 -0.60 0.00 0.59 0.00 0.00 0.00 175.10 175.14 1sfy n ASN 148 N 4.26 -5.62 -3.60 3.32 3.02 -0.36 -4.93 115.26 111.34 1sfy n ASN 148 Ca 0.04 0.23 -0.09 0.00 -0.03 0.00 0.00 54.58 54.73 1sfy n ASN 148 Cb 0.42 -4.81 -0.06 0.00 -0.61 0.00 0.00 39.78 34.72 1sfy n ASN 148 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1sfy s SER 149 N -2.37 -0.35 0.24 6.41 0.15 -1.26 -2.04 113.70 114.48 1sfy s SER 149 Ca 0.00 0.48 0.25 0.00 0.70 0.00 0.00 55.95 57.38 1sfy s SER 149 Cb 0.00 0.43 0.91 0.00 -1.71 0.00 0.00 66.02 65.65 1sfy s SER 149 CO 0.00 -0.25 1.74 0.00 1.20 0.00 0.00 173.24 175.93 1sfy n ILE 150 N 1.16 0.72 -2.85 6.45 0.13 -1.26 -4.38 119.36 119.33 1sfy n ILE 150 Ca -0.10 0.01 -0.43 0.00 -1.10 0.00 0.00 62.75 61.13 1sfy n ILE 150 Cb 0.57 -0.92 -0.04 0.00 -0.84 0.00 0.00 39.64 38.42 1sfy n ILE 150 CO 0.00 0.00 0.00 -0.60 2.80 0.00 0.00 176.55 178.75 1sfy s ARG 151 N -3.22 3.19 0.46 9.51 3.52 -1.26 -4.98 118.95 126.16 1sfy s ARG 151 Ca 0.07 -0.95 -0.22 0.00 -0.13 0.00 0.00 55.73 54.50 1sfy s ARG 151 Cb 0.11 -4.35 -0.10 0.00 -1.56 0.00 0.00 34.95 29.05 1sfy s ARG 151 CO 0.48 -1.83 0.77 0.43 -0.81 0.00 0.00 175.30 174.34 1sfy n SER 152 N 7.63 0.11 0.07 -2.12 7.64 -1.26 -4.79 113.62 120.89 1sfy n SER 152 Ca 0.01 0.92 0.12 0.00 1.01 0.00 0.00 58.87 60.93 1sfy n SER 152 Cb 0.46 -1.24 0.16 0.00 -1.01 0.00 0.00 64.21 62.58 1sfy n SER 152 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1sfy h ILE 153 N 0.97 0.00 -2.84 0.44 3.07 -1.72 -3.46 117.51 113.97 1sfy h ILE 153 Ca -0.43 -0.54 -0.13 0.00 1.55 0.00 0.00 64.86 65.31 1sfy h ILE 153 Cb 1.37 1.13 -0.24 0.00 -0.27 0.00 0.00 36.82 38.82 1sfy h ILE 153 CO 0.53 0.00 -0.27 -0.75 -1.05 0.00 0.00 178.15 176.61 1sfy s LYS 154 N -3.18 0.48 0.04 0.16 2.47 -1.25 -5.03 119.74 113.42 1sfy s LYS 154 Ca 0.06 0.43 0.02 0.00 -1.56 0.00 0.00 55.97 54.92 1sfy s LYS 154 Cb 0.13 0.23 -0.02 0.00 -1.46 0.00 0.00 37.83 36.70 1sfy s LYS 154 CO 0.72 -0.07 -0.07 -0.08 0.16 0.00 0.00 175.35 176.01 1sfy s THR 155 N -0.00 0.51 -0.22 3.43 -1.32 -1.26 -2.03 115.64 114.75 1sfy s THR 155 Ca -0.02 -1.08 -0.03 0.00 -1.21 0.00 0.00 61.69 59.35 1sfy s THR 155 Cb -0.03 -0.60 0.11 0.00 -1.51 0.00 0.00 72.50 70.47 1sfy s THR 155 CO 0.01 -0.40 0.29 -1.58 -2.21 0.00 0.00 174.62 170.73 1sfy s GLN 156 N -1.61 0.26 0.51 7.08 2.00 0.14 -4.96 119.66 123.08 1sfy s GLN 156 Ca -0.10 0.35 -0.21 0.00 -2.00 0.00 0.00 55.36 53.39 1sfy s GLN 156 Cb -0.10 -0.89 -0.06 0.00 0.80 0.00 0.00 33.01 32.76 1sfy s GLN 156 CO 0.00 -0.65 1.21 -2.14 -0.50 0.00 0.00 175.29 173.21 1sfy s PRO 157 N 2.42 3.42 0.07 1.67 0.02 -1.26 0.06 135.00 141.39 1sfy s PRO 157 Ca 0.09 1.86 -0.09 0.00 0.02 0.00 0.00 61.00 62.88 1sfy s PRO 157 Cb -0.16 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 32.14 1sfy s PRO 157 CO -0.14 -0.85 0.20 -0.59 -0.33 0.00 0.00 177.00 175.29 1sfy s PHE 158 N -1.54 0.10 -0.10 6.54 -0.71 -0.86 -4.86 117.98 116.57 1sfy s PHE 158 Ca 0.69 -0.44 -0.16 0.00 -1.04 0.00 0.00 56.93 55.98 1sfy s PHE 158 Cb -0.31 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.41 1sfy s PHE 158 CO 0.36 -0.50 0.40 1.14 -1.34 0.00 0.00 175.22 175.29 1sfy s GLN 159 N -3.30 4.19 -0.06 1.99 0.00 -1.26 -3.94 119.66 117.28 1sfy s GLN 159 Ca 0.01 0.34 -0.25 0.00 -0.00 0.00 0.00 55.36 55.46 1sfy s GLN 159 Cb 0.02 -3.37 -0.03 0.00 0.00 0.00 0.00 33.01 29.63 1sfy s GLN 159 CO -0.08 0.34 0.76 -1.17 0.00 0.00 0.00 175.29 175.13 1sfy s LEU 160 N 0.08 4.32 -1.02 2.60 2.96 -1.26 -4.99 118.68 121.38 1sfy s LEU 160 Ca 0.23 1.27 -0.12 0.00 -0.22 0.00 0.00 54.13 55.29 1sfy s LEU 160 Cb -0.15 -3.17 0.24 0.00 0.50 0.00 0.00 46.19 43.61 1sfy s LEU 160 CO 0.09 -0.15 1.03 -1.81 -1.32 0.00 0.00 176.35 174.19 1sfy s ASP 161 N 0.85 7.08 -0.49 3.68 1.01 -1.26 -5.00 116.67 122.54 1sfy s ASP 161 Ca 0.40 -3.15 -0.45 0.00 0.71 0.00 0.00 52.55 50.06 1sfy s ASP 161 Cb -0.18 -2.24 -0.19 0.00 1.01 0.00 0.00 42.92 41.32 1sfy s ASP 161 CO 0.20 -0.47 1.81 -3.20 0.21 0.00 0.00 175.17 173.72 1sfy n ASN 162 N 3.63 0.97 0.00 0.27 5.15 -1.26 -0.14 115.26 123.88 1sfy n ASN 162 Ca 0.22 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 55.13 1sfy n ASN 162 Cb 0.43 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 38.81 1sfy n ASN 162 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1sfy n GLY 163 N 5.52 2.22 3.86 8.20 0.00 -0.80 -4.98 105.19 119.21 1sfy n GLY 163 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 1sfy n GLY 163 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sfy s GLN 164 N -0.11 3.90 0.03 1.61 -1.52 0.81 -4.84 119.66 119.53 1sfy s GLN 164 Ca 0.00 0.61 -0.28 0.00 -1.95 0.00 0.00 55.36 53.74 1sfy s GLN 164 Cb 0.00 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.37 1sfy s GLN 164 CO 0.00 0.02 0.90 0.08 -0.25 0.00 0.00 175.29 176.04 1sfy s VAL 165 N -2.23 4.75 0.01 1.09 1.01 -1.26 -4.31 120.40 119.45 1sfy s VAL 165 Ca 0.53 1.91 0.04 0.00 0.00 0.00 0.00 61.98 64.47 1sfy s VAL 165 Cb -0.10 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1sfy s VAL 165 CO 0.25 0.26 -0.11 0.00 0.00 0.00 0.00 175.10 175.50 1sfy s ALA 166 N 0.48 2.85 -0.13 5.51 0.00 0.21 -4.23 121.76 126.44 1sfy s ALA 166 Ca 0.46 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.32 1sfy s ALA 166 Cb -0.21 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1sfy s ALA 166 CO 0.26 0.59 -0.01 -0.80 0.00 0.00 0.00 175.76 175.81 1sfy s ASN 167 N -1.32 5.05 -0.02 0.00 0.01 0.59 -1.34 114.94 117.91 1sfy s ASN 167 Ca 0.16 -0.01 0.07 0.00 -0.71 0.00 0.00 52.86 52.36 1sfy s ASN 167 Cb -0.11 -1.68 -0.02 0.00 0.41 0.00 0.00 41.25 39.85 1sfy s ASN 167 CO 0.06 0.24 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.98 1sfy s VAL 168 N -0.07 1.70 -0.08 1.60 1.01 0.40 -0.48 120.40 124.49 1sfy s VAL 168 Ca 0.03 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1sfy s VAL 168 Cb -0.13 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1sfy s VAL 168 CO 0.02 0.48 -0.05 -0.69 0.00 0.00 0.00 175.10 174.87 1sfy s VAL 169 N -0.51 0.71 -0.14 2.92 1.01 -0.51 -2.35 120.40 121.52 1sfy s VAL 169 Ca 0.08 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1sfy s VAL 169 Cb -0.08 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.54 1sfy s VAL 169 CO -0.01 0.30 -0.19 -0.63 0.00 0.00 0.00 175.10 174.58 1sfy s ILE 170 N 1.59 1.84 0.02 2.22 1.01 -0.40 0.01 121.20 127.49 1sfy s ILE 170 Ca 0.01 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.87 1sfy s ILE 170 Cb -0.13 -1.65 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1sfy s ILE 170 CO -0.05 0.51 -0.13 -0.75 0.00 0.00 0.00 174.94 174.52 1sfy s LYS 171 N 1.04 0.93 -0.11 2.79 2.20 0.36 -0.77 119.74 126.17 1sfy s LYS 171 Ca -0.03 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.93 1sfy s LYS 171 Cb -0.15 -0.91 0.02 0.00 -1.51 0.00 0.00 37.83 35.28 1sfy s LYS 171 CO -0.05 0.23 -0.10 -0.47 -0.36 0.00 0.00 175.35 174.61 1sfy s TYR 172 N -0.68 1.64 -0.34 4.03 5.04 0.21 -0.96 117.35 126.28 1sfy s TYR 172 Ca 0.02 -0.82 -0.12 0.00 -2.44 0.00 0.00 57.07 53.71 1sfy s TYR 172 Cb -0.07 -1.29 -0.01 0.00 0.35 0.00 0.00 41.96 40.93 1sfy s TYR 172 CO 0.01 -0.52 0.22 -0.51 -1.34 0.00 0.00 175.55 173.41 1sfy s ASP 173 N 1.52 5.94 0.32 4.32 1.01 -0.48 -2.41 116.67 126.89 1sfy s ASP 173 Ca 0.02 -0.48 0.01 0.00 0.71 0.00 0.00 52.55 52.81 1sfy s ASP 173 Cb -0.13 -2.11 0.53 0.00 1.01 0.00 0.00 42.92 42.23 1sfy s ASP 173 CO -0.07 -0.24 1.90 0.00 0.21 0.00 0.00 175.17 176.97 1sfy h ALA 174 N 8.46 1.36 -0.99 5.23 0.00 -1.88 0.03 119.26 131.47 1sfy h ALA 174 Ca -0.31 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.51 1sfy h ALA 174 Cb 1.15 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1sfy h ALA 174 CO 0.63 0.47 0.64 0.77 0.00 0.00 0.00 179.25 181.77 1sfy h SER 175 N 0.73 1.02 -0.06 0.00 0.02 -1.93 -2.91 113.55 110.42 1sfy h SER 175 Ca 0.17 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1sfy h SER 175 Cb 0.18 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1sfy h SER 175 CO -0.01 0.65 0.00 -1.54 -1.14 0.00 0.00 176.83 174.79 1sfy n SER 176 N -4.51 2.29 -2.99 3.07 3.41 -1.14 -4.96 113.62 108.78 1sfy n SER 176 Ca 0.15 -1.63 -0.22 0.00 -0.26 0.00 0.00 58.87 56.91 1sfy n SER 176 Cb 0.19 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.13 1sfy n SER 176 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sfy n LYS 177 N 0.80 -3.94 -3.80 4.33 5.02 -0.04 -4.88 118.16 115.65 1sfy n LYS 177 Ca 0.09 0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 56.80 1sfy n LYS 177 Cb 0.37 -5.56 -0.11 0.00 -0.02 0.00 0.00 35.03 29.71 1sfy n LYS 177 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sfy s LEU 178 N -6.47 3.77 -0.35 -0.35 0.20 -0.96 -0.61 118.68 113.90 1sfy s LEU 178 Ca 0.27 -0.03 -0.06 0.00 0.69 0.00 0.00 54.13 55.00 1sfy s LEU 178 Cb -0.13 -2.00 0.06 0.00 -0.43 0.00 0.00 46.19 43.69 1sfy s LEU 178 CO 0.33 0.05 0.13 -0.22 -0.29 0.00 0.00 176.35 176.35 1sfy s LEU 179 N 1.15 4.51 -0.11 -0.68 2.96 -0.36 -1.38 118.68 124.77 1sfy s LEU 179 Ca 0.05 -1.32 0.02 0.00 -0.22 0.00 0.00 54.13 52.67 1sfy s LEU 179 Cb -0.14 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1sfy s LEU 179 CO 0.04 -0.38 -0.17 -1.38 -1.32 0.00 0.00 176.35 173.15 1sfy s HIS 180 N 1.36 2.71 0.11 5.38 -3.43 -0.14 -2.07 115.29 119.21 1sfy s HIS 180 Ca -0.00 -0.68 0.10 0.00 -0.80 0.00 0.00 55.06 53.68 1sfy s HIS 180 Cb -0.20 -1.76 -0.04 0.00 -1.43 0.00 0.00 32.58 29.14 1sfy s HIS 180 CO 0.01 -0.21 -0.26 0.00 -2.00 0.00 0.00 174.74 172.29 1sfy s ALA 181 N 0.16 2.27 -0.01 -1.38 0.00 -0.11 -0.49 121.76 122.21 1sfy s ALA 181 Ca -0.09 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 50.49 1sfy s ALA 181 Cb -0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1sfy s ALA 181 CO 0.06 0.51 -0.06 0.08 0.00 0.00 0.00 175.76 176.35 1sfy s VAL 182 N -1.02 0.46 -0.10 0.00 1.01 0.10 -1.74 120.40 119.11 1sfy s VAL 182 Ca 0.13 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1sfy s VAL 182 Cb -0.10 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.89 1sfy s VAL 182 CO 0.05 0.14 -0.20 -0.22 0.00 0.00 0.00 175.10 174.87 1sfy s LEU 183 N -0.01 1.93 -0.05 3.92 0.20 -0.42 -1.43 118.68 122.82 1sfy s LEU 183 Ca 0.01 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.36 1sfy s LEU 183 Cb -0.04 -1.23 0.01 0.00 -0.43 0.00 0.00 46.19 44.51 1sfy s LEU 183 CO -0.00 0.10 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.37 1sfy s VAL 184 N 0.59 0.89 -0.58 1.68 1.01 0.37 -0.93 120.40 123.43 1sfy s VAL 184 Ca -0.14 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 1sfy s VAL 184 Cb -0.17 -0.83 0.15 0.00 0.00 0.00 0.00 36.38 35.53 1sfy s VAL 184 CO 0.05 0.30 0.46 -0.31 0.00 0.00 0.00 175.10 175.59 1sfy s TYR 185 N 0.68 3.47 0.37 5.22 2.02 -0.67 -0.30 117.35 128.14 1sfy s TYR 185 Ca -0.12 -1.99 0.15 0.00 -0.37 0.00 0.00 57.07 54.74 1sfy s TYR 185 Cb -0.14 -3.54 1.02 0.00 -0.40 0.00 0.00 41.96 38.90 1sfy s TYR 185 CO 0.02 -0.97 1.76 -1.35 -1.57 0.00 0.00 175.55 173.44 1sfy h PRO 186 N 8.11 0.46 0.42 -1.71 0.11 -1.86 0.73 132.00 138.25 1sfy h PRO 186 Ca -0.12 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1sfy h PRO 186 Cb 1.05 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1sfy h PRO 186 CO 0.83 0.30 -0.39 0.66 -0.21 0.00 0.00 178.00 179.20 1sfy h SER 187 N 0.47 -1.04 0.81 -2.05 4.64 -1.92 -3.21 113.55 111.24 1sfy h SER 187 Ca 0.61 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 1sfy h SER 187 Cb 1.39 0.34 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1sfy h SER 187 CO -0.36 -0.54 -1.03 -1.54 -0.87 0.00 0.00 176.83 172.49 1sfy n SER 188 N -5.49 0.72 0.00 4.97 3.41 -0.93 -4.95 113.62 111.35 1sfy n SER 188 Ca -0.11 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1sfy n SER 188 Cb 0.39 0.58 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1sfy n SER 188 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sfy n GLY 189 N 1.24 0.69 3.77 5.00 0.00 0.25 -5.02 105.19 111.12 1sfy n GLY 189 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1sfy n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfy s ALA 190 N -2.37 3.52 -0.06 4.61 0.00 -1.18 -4.83 121.76 121.46 1sfy s ALA 190 Ca 0.00 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.32 1sfy s ALA 190 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1sfy s ALA 190 CO 0.00 -0.74 -0.10 0.42 0.00 0.00 0.00 175.76 175.34 1sfy s ILE 191 N -1.06 0.94 0.04 0.00 1.01 -1.26 -1.67 121.20 119.19 1sfy s ILE 191 Ca 0.50 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.86 1sfy s ILE 191 Cb -0.41 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.15 1sfy s ILE 191 CO 0.55 0.31 -0.18 -0.31 0.00 0.00 0.00 174.94 175.31 1sfy s TYR 192 N 0.77 1.60 -0.03 3.97 2.02 -0.11 -5.00 117.35 120.58 1sfy s TYR 192 Ca -0.13 -0.36 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 1sfy s TYR 192 Cb -0.15 -0.96 0.01 0.00 -0.40 0.00 0.00 41.96 40.45 1sfy s TYR 192 CO 0.02 0.06 0.08 -0.08 -1.57 0.00 0.00 175.55 174.06 1sfy s THR 193 N -0.76 0.01 0.03 -0.71 -1.32 -1.26 -1.30 115.64 110.32 1sfy s THR 193 Ca 0.06 -0.08 0.02 0.00 -1.21 0.00 0.00 61.69 60.47 1sfy s THR 193 Cb -0.08 -0.14 -0.02 0.00 -1.51 0.00 0.00 72.50 70.74 1sfy s THR 193 CO 0.01 -0.04 -0.06 -0.63 -2.21 0.00 0.00 174.62 171.69 1sfy s ILE 194 N -0.10 0.43 -0.02 5.08 1.09 -0.71 -5.02 121.20 121.95 1sfy s ILE 194 Ca -0.02 -0.84 -0.17 0.00 -1.10 0.00 0.00 60.65 58.52 1sfy s ILE 194 Cb -0.01 -0.48 0.03 0.00 -1.06 0.00 0.00 42.46 40.93 1sfy s ILE 194 CO 0.00 -0.28 0.37 0.00 -0.10 0.00 0.00 174.94 174.92 1sfy s ALA 195 N -1.08 -0.93 -0.02 9.38 0.00 -1.26 -0.93 121.76 126.92 1sfy s ALA 195 Ca -0.08 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1sfy s ALA 195 Cb -0.08 0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.19 1sfy s ALA 195 CO 0.00 -0.27 0.89 -2.00 0.00 0.00 0.00 175.76 174.37 1sfy s GLU 196 N -1.27 0.82 -0.01 0.00 2.56 -0.88 -5.01 118.70 114.91 1sfy s GLU 196 Ca -0.13 -0.25 -0.26 0.00 0.00 0.00 0.00 54.97 54.33 1sfy s GLU 196 Cb -0.04 0.38 -0.04 0.00 2.00 0.00 0.00 34.13 36.42 1sfy s GLU 196 CO 0.05 -0.35 0.80 0.42 -0.56 0.00 0.00 175.26 175.62 1sfy s ILE 197 N -2.91 4.89 -0.07 -3.70 -1.09 -1.26 -1.23 121.20 115.84 1sfy s ILE 197 Ca 0.04 1.68 -0.03 0.00 -2.23 0.00 0.00 60.65 60.11 1sfy s ILE 197 Cb -0.01 -4.14 0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1sfy s ILE 197 CO -0.08 0.27 0.12 -0.69 -1.23 0.00 0.00 174.94 173.33 1sfy s VAL 198 N 0.56 -0.20 -0.73 2.92 1.01 0.22 -4.95 120.40 119.23 1sfy s VAL 198 Ca 0.42 0.38 -0.20 0.00 0.00 0.00 0.00 61.98 62.58 1sfy s VAL 198 Cb -0.20 -0.24 0.11 0.00 0.00 0.00 0.00 36.38 36.05 1sfy s VAL 198 CO 0.22 0.16 0.93 -0.62 0.00 0.00 0.00 175.10 175.79 1sfy s ASP 199 N 2.22 6.35 0.41 3.32 -1.08 -1.26 -4.60 116.67 122.04 1sfy s ASP 199 Ca 0.04 -1.54 0.11 0.00 -0.52 0.00 0.00 52.55 50.63 1sfy s ASP 199 Cb -0.12 -2.37 0.93 0.00 -1.46 0.00 0.00 42.92 39.90 1sfy s ASP 199 CO -0.05 -1.18 1.99 0.58 0.52 0.00 0.00 175.17 177.03 1sfy h VAL 200 N 5.85 0.96 -0.37 1.11 2.07 -1.97 -1.34 116.25 122.55 1sfy h VAL 200 Ca -0.13 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1sfy h VAL 200 Cb 1.06 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1sfy h VAL 200 CO 1.11 0.09 0.18 0.50 0.02 0.00 0.00 177.57 179.48 1sfy h LYS 201 N 0.52 0.51 0.00 1.57 3.64 -1.89 -0.45 116.57 120.46 1sfy h LYS 201 Ca 0.27 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1sfy h LYS 201 Cb 0.38 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1sfy h LYS 201 CO -0.08 0.40 -0.63 1.96 -2.27 0.00 0.00 179.45 178.83 1sfy h GLN 202 N 0.52 0.00 0.00 1.90 1.08 -1.67 -3.41 115.11 113.53 1sfy h GLN 202 Ca 0.13 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.97 1sfy h GLN 202 Cb 0.05 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 1sfy h GLN 202 CO -0.02 0.00 -2.25 0.28 -0.95 0.00 0.00 178.83 175.90 1sfy n VAL 203 N -2.20 1.23 -4.02 -0.54 0.31 -0.87 -5.05 118.33 107.19 1sfy n VAL 203 Ca 0.03 -0.34 -0.21 0.00 -0.01 0.00 0.00 64.34 63.80 1sfy n VAL 203 Cb 0.45 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 1sfy n VAL 203 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1sfy s LEU 204 N -7.02 4.16 0.74 7.52 1.43 -0.23 -4.29 118.68 121.00 1sfy s LEU 204 Ca -0.31 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 1sfy s LEU 204 Cb 0.11 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.67 1sfy s LEU 204 CO 0.41 -0.06 1.11 -2.16 0.23 0.00 0.00 176.35 175.89 1sfy s PRO 205 N -3.91 2.57 0.35 1.29 0.04 -1.26 -4.76 135.00 129.31 1sfy s PRO 205 Ca 0.34 0.45 0.07 0.00 0.04 0.00 0.00 61.00 61.90 1sfy s PRO 205 Cb -0.09 -1.99 0.77 0.00 0.04 0.00 0.00 34.50 33.23 1sfy s PRO 205 CO 0.28 -1.24 1.88 0.93 0.04 0.00 0.00 177.00 178.89 1sfy h GLU 206 N -0.80 0.73 -6.17 4.56 5.08 -1.96 -3.41 114.58 112.61 1sfy h GLU 206 Ca -0.46 -0.04 -0.69 0.00 -1.00 0.00 0.00 59.36 57.17 1sfy h GLU 206 Cb 1.27 -0.16 -0.26 0.00 0.50 0.00 0.00 28.75 30.09 1sfy h GLU 206 CO 0.63 0.48 -0.81 -1.58 -1.00 0.00 0.00 179.01 176.73 1sfy s TRP 207 N -5.72 2.61 0.15 4.33 0.52 -1.26 -0.96 118.94 118.61 1sfy s TRP 207 Ca -0.10 -0.38 -0.00 0.00 0.02 0.00 0.00 56.10 55.63 1sfy s TRP 207 Cb 0.22 -1.63 -0.04 0.00 -1.15 0.00 0.00 33.47 30.86 1sfy s TRP 207 CO 0.79 0.01 0.05 0.14 0.02 0.00 0.00 176.95 177.96 1sfy s VAL 208 N -0.44 0.27 -0.11 4.03 -7.23 -0.41 -4.28 120.40 112.22 1sfy s VAL 208 Ca 0.05 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.26 1sfy s VAL 208 Cb -0.12 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.67 1sfy s VAL 208 CO 0.02 -0.42 -0.00 -1.81 -0.31 0.00 0.00 175.10 172.57 1sfy s ASP 209 N -3.10 5.17 -0.05 4.85 1.01 -0.29 -0.39 116.67 123.87 1sfy s ASP 209 Ca 0.25 0.08 0.01 0.00 0.71 0.00 0.00 52.55 53.60 1sfy s ASP 209 Cb 0.07 -1.58 -0.03 0.00 1.01 0.00 0.00 42.92 42.39 1sfy s ASP 209 CO 0.03 0.31 -0.04 0.68 0.21 0.00 0.00 175.17 176.37 1sfy s VAL 210 N -0.48 3.93 0.25 -1.27 -7.23 -1.26 -2.33 120.40 112.00 1sfy s VAL 210 Ca 0.08 -0.49 -0.17 0.00 -1.81 0.00 0.00 61.98 59.60 1sfy s VAL 210 Cb -0.12 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 34.22 1sfy s VAL 210 CO 0.02 0.53 0.84 0.61 -0.31 0.00 0.00 175.10 176.80 1sfy n GLY 211 N 1.96 0.84 3.25 2.32 0.00 -0.51 -1.59 105.19 111.45 1sfy n GLY 211 Ca -0.17 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.43 1sfy n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sfy s LEU 212 N 0.00 2.21 -0.03 0.99 1.43 0.17 -0.94 118.68 122.51 1sfy s LEU 212 Ca 0.18 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1sfy s LEU 212 Cb -0.03 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.31 1sfy s LEU 212 CO 0.07 0.11 0.17 -0.55 0.23 0.00 0.00 176.35 176.38 1sfy s SER 213 N -1.42 -0.09 0.06 2.29 0.15 -0.19 -0.79 113.70 113.72 1sfy s SER 213 Ca 0.06 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.78 1sfy s SER 213 Cb -0.09 0.29 -0.03 0.00 -1.71 0.00 0.00 66.02 64.48 1sfy s SER 213 CO 0.02 -0.22 0.01 -0.83 1.20 0.00 0.00 173.24 173.42 1sfy s GLY 214 N -0.65 0.45 -0.17 9.45 0.00 -0.11 -0.12 107.32 116.17 1sfy s GLY 214 Ca -0.07 -1.15 -0.26 0.00 0.00 0.00 0.00 44.72 43.24 1sfy s GLY 214 CO 0.01 -1.25 0.66 0.00 0.00 0.00 0.00 173.10 172.52 1sfy s ALA 215 N -3.92 -1.67 0.39 3.20 0.00 -0.72 -2.02 121.76 117.02 1sfy s ALA 215 Ca 0.08 1.62 0.08 0.00 0.00 0.00 0.00 51.96 53.73 1sfy s ALA 215 Cb 0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1sfy s ALA 215 CO -0.09 -0.34 0.38 0.95 0.00 0.00 0.00 175.76 176.66 1sfy s THR 216 N -0.29 3.03 1.12 0.00 -4.23 0.50 0.96 115.64 116.74 1sfy s THR 216 Ca -0.05 -1.29 -0.15 0.00 -1.18 0.00 0.00 61.69 59.02 1sfy s THR 216 Cb -0.03 -3.07 0.18 0.00 1.34 0.00 0.00 72.50 70.91 1sfy s THR 216 CO 0.04 -0.06 0.50 0.61 -0.54 0.00 0.00 174.62 175.18 1sfy n GLY 217 N -1.54 -2.17 0.27 3.99 0.00 0.25 -4.04 105.19 101.96 1sfy n GLY 217 Ca 0.02 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.24 1sfy n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfy n ALA 218 N -4.58 2.99 -2.62 4.61 0.00 -1.26 0.18 120.51 119.82 1sfy n ALA 218 Ca 0.03 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 52.92 1sfy n ALA 218 Cb 0.58 -1.15 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 1sfy n ALA 218 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1sfy s GLN 219 N -2.43 0.74 -0.27 0.00 -2.07 -1.26 -4.91 119.66 109.46 1sfy s GLN 219 Ca 0.26 -1.01 -0.35 0.00 -1.82 0.00 0.00 55.36 52.45 1sfy s GLN 219 Cb 0.20 -0.49 -0.15 0.00 -1.09 0.00 0.00 33.01 31.47 1sfy s GLN 219 CO 0.49 0.08 1.11 -2.13 -1.32 0.00 0.00 175.29 173.52 1sfy n ARG 220 N 0.94 0.00 -0.97 9.60 3.00 -1.26 -0.81 116.66 127.15 1sfy n ARG 220 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.66 1sfy n ARG 220 Cb 0.56 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.86 1sfy n ARG 220 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1sfy n ASP 221 N 2.49 -4.57 -3.61 6.15 8.00 -1.26 -4.62 116.55 119.12 1sfy n ASP 221 Ca 0.21 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.30 1sfy n ASP 221 Cb -0.01 -2.42 -0.01 0.00 -0.02 0.00 0.00 41.12 38.67 1sfy n ASP 221 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sfy n ALA 222 N 1.00 6.30 -2.30 2.24 0.00 0.01 -4.37 120.51 123.38 1sfy n ALA 222 Ca 0.00 -4.02 -0.18 0.00 0.00 0.00 0.00 53.44 49.24 1sfy n ALA 222 Cb 0.30 -3.09 -0.09 0.00 0.00 0.00 0.00 19.45 16.58 1sfy n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfy s ALA 223 N 0.72 1.83 0.13 0.00 0.00 -1.26 0.87 121.76 124.06 1sfy s ALA 223 Ca 0.51 -1.81 -0.26 0.00 0.00 0.00 0.00 51.96 50.41 1sfy s ALA 223 Cb 0.15 1.27 0.07 0.00 0.00 0.00 0.00 23.12 24.61 1sfy s ALA 223 CO -0.06 -0.56 1.03 -1.83 0.00 0.00 0.00 175.76 174.34 1sfy s GLU 224 N -3.77 1.07 0.44 0.00 -1.05 -1.24 -4.38 118.70 109.76 1sfy s GLU 224 Ca 0.37 -0.60 -0.01 0.00 -0.15 0.00 0.00 54.97 54.58 1sfy s GLU 224 Cb 0.04 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 34.08 1sfy s GLU 224 CO 0.19 -0.49 0.67 0.95 0.95 0.00 0.00 175.26 177.53 1sfy s THR 225 N -3.01 4.39 -0.42 1.83 -4.23 -0.66 -4.80 115.64 108.74 1sfy s THR 225 Ca 0.14 -0.35 0.06 0.00 -1.18 0.00 0.00 61.69 60.36 1sfy s THR 225 Cb -0.00 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.42 1sfy s THR 225 CO 0.02 -0.48 0.52 1.41 -0.54 0.00 0.00 174.62 175.55 1sfy n HIS 226 N -2.07 -1.28 -3.69 3.99 -0.00 -1.26 -3.93 115.22 106.99 1sfy n HIS 226 Ca -0.00 -3.03 -0.37 0.00 -0.00 0.00 0.00 57.72 54.32 1sfy n HIS 226 Cb 0.57 0.28 -0.06 0.00 -0.00 0.00 0.00 29.99 30.78 1sfy n HIS 226 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1sfy s ASP 227 N -0.61 6.52 -0.10 0.41 1.01 -1.04 -1.73 116.67 121.12 1sfy s ASP 227 Ca 0.33 0.62 0.03 0.00 0.71 0.00 0.00 52.55 54.25 1sfy s ASP 227 Cb 0.12 -2.15 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 1sfy s ASP 227 CO -0.15 0.31 -0.22 -0.69 0.21 0.00 0.00 175.17 174.63 1sfy s VAL 228 N -0.69 2.25 -0.12 -1.27 1.01 0.39 -1.74 120.40 120.23 1sfy s VAL 228 Ca 0.18 -0.96 0.18 0.00 0.00 0.00 0.00 61.98 61.38 1sfy s VAL 228 Cb -0.14 -1.87 -0.26 0.00 0.00 0.00 0.00 36.38 34.11 1sfy s VAL 228 CO 0.07 0.56 0.21 -1.22 0.00 0.00 0.00 175.10 174.71 1sfy n TYR 229 N 3.44 0.00 -3.49 5.22 4.01 -0.15 -1.31 117.16 124.88 1sfy n TYR 229 Ca -0.19 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.44 1sfy n TYR 229 Cb 0.53 -0.74 -0.03 0.00 -0.31 0.00 0.00 39.34 38.79 1sfy n TYR 229 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1sfy s SER 230 N -4.91 -0.46 -0.29 7.72 1.04 -1.24 -3.97 113.70 111.59 1sfy s SER 230 Ca -0.08 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.12 1sfy s SER 230 Cb 0.08 0.56 0.13 0.00 0.10 0.00 0.00 66.02 66.89 1sfy s SER 230 CO 0.79 -0.92 0.83 0.86 0.98 0.00 0.00 173.24 175.78 1sfy s TRP 231 N -3.68 -0.90 0.10 5.02 -0.00 -0.95 -2.61 118.94 115.92 1sfy s TRP 231 Ca 0.01 1.69 0.05 0.00 -0.00 0.00 0.00 56.10 57.85 1sfy s TRP 231 Cb -0.00 0.54 -0.04 0.00 -0.00 0.00 0.00 33.47 33.97 1sfy s TRP 231 CO -0.12 -0.45 -0.12 -1.54 -0.00 0.00 0.00 176.95 174.73 1sfy s SER 232 N 1.97 1.64 -0.01 5.86 1.04 0.76 -0.70 113.70 124.27 1sfy s SER 232 Ca -0.07 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.40 1sfy s SER 232 Cb -0.06 -0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.06 1sfy s SER 232 CO -0.18 -0.20 0.35 0.12 0.98 0.00 0.00 173.24 174.31 1sfy s PHE 233 N -2.21 -0.23 -0.22 5.02 5.36 0.90 -1.32 117.98 125.27 1sfy s PHE 233 Ca 0.06 0.34 -0.19 0.00 -0.96 0.00 0.00 56.93 56.17 1sfy s PHE 233 Cb -0.04 0.14 0.06 0.00 -0.34 0.00 0.00 43.02 42.83 1sfy s PHE 233 CO 0.01 -0.43 0.58 1.14 -1.46 0.00 0.00 175.22 175.07 1sfy s GLN 234 N -1.46 0.66 0.01 10.12 -2.07 -0.68 -1.38 119.66 124.87 1sfy s GLN 234 Ca -0.12 0.87 0.00 0.00 -1.82 0.00 0.00 55.36 54.29 1sfy s GLN 234 Cb -0.04 0.28 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1sfy s GLN 234 CO 0.04 -0.10 -0.01 0.00 -1.32 0.00 0.00 175.29 173.90 1sfy s ALA 235 N 0.59 0.06 -0.08 2.60 0.00 -0.66 -1.48 121.76 122.80 1sfy s ALA 235 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1sfy s ALA 235 Cb -0.05 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.17 1sfy s ALA 235 CO -0.03 -0.07 -0.02 -1.12 0.00 0.00 0.00 175.76 174.52 1sfy s SER 236 N -0.67 1.66 -0.40 0.00 0.01 -0.79 -1.73 113.70 111.78 1sfy s SER 236 Ca -0.07 -0.13 -0.12 0.00 1.31 0.00 0.00 55.95 56.94 1sfy s SER 236 Cb -0.05 -0.52 0.04 0.00 0.21 0.00 0.00 66.02 65.71 1sfy s SER 236 CO -0.00 -0.17 0.26 -0.22 0.41 0.00 0.00 173.24 173.51 1sfy s LEU 237 N 1.86 4.99 -0.42 2.44 0.20 -0.27 -2.32 118.68 125.16 1sfy s LEU 237 Ca 0.04 -1.15 -0.28 0.00 0.69 0.00 0.00 54.13 53.44 1sfy s LEU 237 Cb -0.12 -2.05 -0.02 0.00 -0.43 0.00 0.00 46.19 43.56 1sfy s LEU 237 CO -0.06 -0.47 1.81 -2.16 -0.29 0.00 0.00 176.35 175.19 1sfy s PRO 238 N 1.55 3.10 0.00 0.98 0.04 -1.26 -2.69 135.00 136.72 1sfy s PRO 238 Ca 0.03 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1sfy s PRO 238 Cb -0.21 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1sfy s PRO 238 CO 0.06 -2.15 0.00 0.39 0.04 0.00 0.00 177.00 175.34