#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe8 s ILE 2 N 0.00 4.35 -0.03 0.53 1.01 -1.26 -5.01 121.20 120.79 1fe8 s ILE 2 Ca 0.00 1.66 -0.23 0.00 0.00 0.00 0.00 60.65 62.08 1fe8 s ILE 2 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1fe8 s ILE 2 CO 0.00 -0.01 0.68 0.00 0.00 0.00 0.00 174.94 175.61 1fe8 s ALA 3 N 2.28 3.38 -0.17 9.38 0.00 -1.26 -4.71 121.76 130.66 1fe8 s ALA 3 Ca 0.54 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 1fe8 s ALA 3 Cb -0.23 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1fe8 s ALA 3 CO 0.20 -0.01 -0.05 -1.64 0.00 0.00 0.00 175.76 174.26 1fe8 s MET 4 N 0.41 3.53 -0.14 0.00 -1.94 -1.26 -1.29 119.30 118.61 1fe8 s MET 4 Ca 0.36 -0.58 0.01 0.00 -1.71 0.00 0.00 55.69 53.76 1fe8 s MET 4 Cb -0.18 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.76 1fe8 s MET 4 CO 0.19 0.10 -0.15 0.99 -0.01 0.00 0.00 175.02 176.14 1fe8 s THR 5 N 0.70 2.73 -0.39 2.05 2.01 0.32 -4.18 115.64 118.88 1fe8 s THR 5 Ca -0.03 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.23 1fe8 s THR 5 Cb -0.15 -2.14 0.11 0.00 0.01 0.00 0.00 72.50 70.33 1fe8 s THR 5 CO 0.02 0.52 0.14 -1.10 -0.69 0.00 0.00 174.62 173.51 1fe8 s GLN 6 N 0.61 1.74 0.43 4.92 -0.21 -1.26 -0.78 119.66 125.10 1fe8 s GLN 6 Ca -0.09 -1.99 0.19 0.00 0.02 0.00 0.00 55.36 53.50 1fe8 s GLN 6 Cb -0.16 -3.35 1.13 0.00 1.00 0.00 0.00 33.01 31.63 1fe8 s GLN 6 CO 0.03 -1.01 1.87 1.79 -2.12 0.00 0.00 175.29 175.85 1fe8 h THR 7 N 6.34 0.68 -3.67 -0.19 1.35 -1.94 -3.38 112.91 112.10 1fe8 h THR 7 Ca -0.07 -0.12 -0.70 0.00 -0.55 0.00 0.00 66.41 64.97 1fe8 h THR 7 Cb 1.01 0.29 -0.28 0.00 -1.73 0.00 0.00 68.15 67.43 1fe8 h THR 7 CO 0.60 0.07 -0.60 0.42 -0.25 0.00 0.00 175.52 175.75 1fe8 s THR 8 N -5.37 3.83 -0.75 6.82 -4.23 -1.26 -4.95 115.64 109.73 1fe8 s THR 8 Ca -0.08 -1.12 0.21 0.00 -1.18 0.00 0.00 61.69 59.52 1fe8 s THR 8 Cb 0.22 -3.17 0.20 0.00 1.34 0.00 0.00 72.50 71.10 1fe8 s THR 8 CO 0.78 -0.18 1.65 -1.54 -0.54 0.00 0.00 174.62 174.78 1fe8 n SER 9 N 4.82 0.37 -3.56 3.99 3.41 -1.26 -4.41 113.62 116.98 1fe8 n SER 9 Ca -0.12 0.58 -0.17 0.00 -0.26 0.00 0.00 58.87 58.89 1fe8 n SER 9 Cb 0.45 -0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 1fe8 n SER 9 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1fe8 s SER 10 N -3.69 -0.62 0.02 4.04 1.04 -1.26 -0.14 113.70 113.09 1fe8 s SER 10 Ca 0.07 0.73 0.03 0.00 0.48 0.00 0.00 55.95 57.26 1fe8 s SER 10 Cb 0.11 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.83 1fe8 s SER 10 CO 0.38 -0.55 -0.10 -0.76 0.98 0.00 0.00 173.24 173.19 1fe8 s LEU 11 N -1.02 2.11 -0.19 2.42 1.43 0.45 -4.88 118.68 119.00 1fe8 s LEU 11 Ca -0.10 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.65 1fe8 s LEU 11 Cb -0.01 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 1fe8 s LEU 11 CO 0.08 0.03 -0.05 -0.55 0.23 0.00 0.00 176.35 176.10 1fe8 s SER 12 N -0.74 4.42 0.30 2.29 0.15 -1.26 -0.37 113.70 118.49 1fe8 s SER 12 Ca 0.01 -0.30 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 1fe8 s SER 12 Cb -0.06 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 1fe8 s SER 12 CO 0.00 0.06 0.37 0.00 1.20 0.00 0.00 173.24 174.88 1fe8 s ALA 13 N 1.01 0.91 0.10 5.45 0.00 -0.46 -4.84 121.76 123.92 1fe8 s ALA 13 Ca 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.45 1fe8 s ALA 13 Cb -0.15 1.25 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 1fe8 s ALA 13 CO 0.00 -0.74 -0.00 -1.12 0.00 0.00 0.00 175.76 173.90 1fe8 s SER 14 N -3.22 4.99 0.26 0.00 0.01 -1.26 0.48 113.70 114.96 1fe8 s SER 14 Ca 0.33 -0.20 -0.31 0.00 1.31 0.00 0.00 55.95 57.08 1fe8 s SER 14 Cb 0.01 -1.18 -0.12 0.00 0.21 0.00 0.00 66.02 64.95 1fe8 s SER 14 CO 0.19 0.17 1.66 -0.76 0.41 0.00 0.00 173.24 174.90 1fe8 s LEU 15 N -2.35 4.35 0.00 2.44 1.43 -1.26 -1.46 118.68 121.83 1fe8 s LEU 15 Ca 0.26 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.28 1fe8 s LEU 15 Cb -0.12 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.49 1fe8 s LEU 15 CO 0.18 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.42 1fe8 n GLY 16 N 2.97 3.01 3.81 -3.19 0.00 0.12 -4.89 105.19 107.02 1fe8 n GLY 16 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1fe8 n GLY 16 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fe8 s GLN 17 N -0.98 2.98 -0.07 1.61 -0.21 -0.54 -4.21 119.66 118.24 1fe8 s GLN 17 Ca 0.00 1.06 -0.21 0.00 0.02 0.00 0.00 55.36 56.23 1fe8 s GLN 17 Cb 0.00 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1fe8 s GLN 17 CO 0.00 -1.07 0.61 0.21 -2.12 0.00 0.00 175.29 172.92 1fe8 s LYS 18 N -4.71 4.39 -0.03 2.91 2.20 -1.22 -0.02 119.74 123.25 1fe8 s LYS 18 Ca 0.60 0.72 0.06 0.00 -0.36 0.00 0.00 55.97 56.99 1fe8 s LYS 18 Cb -0.15 -3.43 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1fe8 s LYS 18 CO 0.49 0.14 -0.22 0.08 -0.36 0.00 0.00 175.35 175.48 1fe8 s VAL 19 N 0.60 1.79 -0.02 4.02 1.01 0.37 -4.97 120.40 123.18 1fe8 s VAL 19 Ca 0.33 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1fe8 s VAL 19 Cb -0.17 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 1fe8 s VAL 19 CO 0.15 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.67 1fe8 s THR 20 N -0.30 1.58 -0.13 3.92 2.01 -1.26 -0.23 115.64 121.23 1fe8 s THR 20 Ca 0.02 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1fe8 s THR 20 Cb -0.11 -1.32 0.02 0.00 0.01 0.00 0.00 72.50 71.10 1fe8 s THR 20 CO 0.01 0.45 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.62 1fe8 s ILE 21 N -0.35 1.48 0.31 1.82 1.01 0.57 -4.96 121.20 121.08 1fe8 s ILE 21 Ca 0.05 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.16 1fe8 s ILE 21 Cb -0.09 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 1fe8 s ILE 21 CO 0.00 0.44 0.43 -0.94 0.00 0.00 0.00 174.94 174.87 1fe8 s SER 22 N 1.27 6.00 -0.23 3.58 1.04 -1.26 -0.22 113.70 123.87 1fe8 s SER 22 Ca -0.00 -0.15 -0.21 0.00 0.48 0.00 0.00 55.95 56.06 1fe8 s SER 22 Cb -0.14 -1.35 0.06 0.00 0.10 0.00 0.00 66.02 64.69 1fe8 s SER 22 CO -0.06 -0.34 0.61 0.00 0.98 0.00 0.00 173.24 174.42 1fe8 s ARG 24 N 0.37 0.96 0.09 0.00 3.52 0.04 -0.42 118.95 123.51 1fe8 s ARG 24 Ca -0.00 -0.39 -0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1fe8 s ARG 24 Cb -0.04 -0.91 -0.05 0.00 -1.56 0.00 0.00 34.95 32.38 1fe8 s ARG 24 CO 0.00 0.22 0.33 0.00 -0.81 0.00 0.00 175.30 175.04 1fe8 s ALA 25 N -0.16 3.83 0.17 6.12 0.00 0.15 -0.52 121.76 131.35 1fe8 s ALA 25 Ca 0.03 -0.58 0.27 0.00 0.00 0.00 0.00 51.96 51.68 1fe8 s ALA 25 Cb -0.05 -2.09 1.12 0.00 0.00 0.00 0.00 23.12 22.10 1fe8 s ALA 25 CO -0.00 0.67 1.91 0.66 0.00 0.00 0.00 175.76 179.00 1fe8 h SER 26 N 3.24 0.00 -5.31 0.00 4.64 -1.53 -3.45 113.55 111.15 1fe8 h SER 26 Ca -0.47 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.72 1fe8 h SER 26 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1fe8 h SER 26 CO 0.71 0.15 -0.45 0.00 -0.87 0.00 0.00 176.83 176.37 1fe8 s GLN 27 N -3.74 1.02 0.10 4.77 -2.07 -1.26 -5.02 119.66 113.46 1fe8 s GLN 27 Ca 0.00 -1.24 -0.31 0.00 -1.82 0.00 0.00 55.36 51.99 1fe8 s GLN 27 Cb 0.10 0.32 -0.09 0.00 -1.09 0.00 0.00 33.01 32.25 1fe8 s GLN 27 CO 0.60 -0.34 1.66 0.34 -1.32 0.00 0.00 175.29 176.24 1fe8 s ASP 28 N -2.98 6.57 0.00 12.60 -1.08 -1.26 -4.86 116.67 125.67 1fe8 s ASP 28 Ca 0.18 2.55 0.06 0.00 -0.52 0.00 0.00 52.55 54.82 1fe8 s ASP 28 Cb 0.05 -2.57 0.17 0.00 -1.46 0.00 0.00 42.92 39.11 1fe8 s ASP 28 CO -0.01 -0.89 1.13 2.30 0.52 0.00 0.00 175.17 178.21 1fe8 n ILE 29 N 4.58 0.95 -4.41 4.11 -5.35 -1.26 -5.10 119.36 112.88 1fe8 n ILE 29 Ca 0.16 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.66 1fe8 n ILE 29 Cb 0.40 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 1fe8 n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fe8 n GLY 30 N 0.11 0.44 0.41 3.28 0.00 -1.26 -3.40 105.19 104.77 1fe8 n GLY 30 Ca 0.07 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.36 1fe8 n GLY 30 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fe8 n ASN 31 N 0.08 1.36 -3.86 1.61 3.02 -1.26 -4.68 115.26 111.53 1fe8 n ASN 31 Ca 0.00 -1.30 -0.42 0.00 -0.03 0.00 0.00 54.58 52.82 1fe8 n ASN 31 Cb 0.00 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1fe8 n ASN 31 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1fe8 n TYR 32 N -0.08 3.66 -4.23 3.10 4.02 -1.22 -2.10 117.16 120.31 1fe8 n TYR 32 Ca 0.17 -2.95 -0.25 0.00 -0.01 0.00 0.00 57.90 54.86 1fe8 n TYR 32 Cb 0.36 -2.52 -0.17 0.00 -0.02 0.00 0.00 39.34 36.99 1fe8 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1fe8 s LEU 33 N 2.29 1.39 0.19 7.72 1.98 -1.26 -0.73 118.68 130.25 1fe8 s LEU 33 Ca 0.47 -0.27 0.11 0.00 -2.89 0.00 0.00 54.13 51.54 1fe8 s LEU 33 Cb 0.12 -0.78 -0.04 0.00 0.66 0.00 0.00 46.19 46.15 1fe8 s LEU 33 CO -0.06 -0.05 -0.19 0.20 -1.89 0.00 0.00 176.35 174.36 1fe8 s ASN 34 N 1.16 3.71 -0.07 3.68 0.01 -0.65 -0.26 114.94 122.53 1fe8 s ASN 34 Ca -0.06 -0.77 0.05 0.00 -0.71 0.00 0.00 52.86 51.38 1fe8 s ASN 34 Cb -0.14 -0.41 -0.01 0.00 0.41 0.00 0.00 41.25 41.10 1fe8 s ASN 34 CO -0.02 0.12 -0.24 0.26 -1.51 0.00 0.00 177.10 175.71 1fe8 s TRP 35 N -1.68 2.36 0.24 2.20 0.52 0.12 -0.56 118.94 122.14 1fe8 s TRP 35 Ca 0.22 -0.77 0.11 0.00 0.02 0.00 0.00 56.10 55.69 1fe8 s TRP 35 Cb -0.08 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.63 1fe8 s TRP 35 CO 0.12 -0.26 -0.20 0.71 0.02 0.00 0.00 176.95 177.34 1fe8 s TYR 36 N -0.01 2.17 -0.08 -1.98 1.51 0.53 -0.19 117.35 119.30 1fe8 s TYR 36 Ca -0.07 -0.38 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 1fe8 s TYR 36 Cb -0.14 -0.99 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 1fe8 s TYR 36 CO 0.05 0.59 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.74 1fe8 s GLN 37 N -3.29 2.53 -0.23 -0.62 0.74 -0.44 -1.36 119.66 117.00 1fe8 s GLN 37 Ca 0.26 -0.73 0.02 0.00 0.05 0.00 0.00 55.36 54.96 1fe8 s GLN 37 Cb -0.05 -1.98 0.04 0.00 1.10 0.00 0.00 33.01 32.13 1fe8 s GLN 37 CO 0.12 0.15 -0.14 -1.14 -0.55 0.00 0.00 175.29 173.73 1fe8 s GLN 38 N 0.38 2.49 0.66 1.67 0.74 0.84 -1.06 119.66 125.38 1fe8 s GLN 38 Ca -0.16 -1.12 -0.12 0.00 0.05 0.00 0.00 55.36 54.01 1fe8 s GLN 38 Cb -0.17 -2.74 -0.01 0.00 1.10 0.00 0.00 33.01 31.20 1fe8 s GLN 38 CO 0.07 -0.43 1.05 0.15 -0.55 0.00 0.00 175.29 175.58 1fe8 s LYS 39 N 1.19 3.13 0.45 1.67 1.02 0.41 -1.21 119.74 126.41 1fe8 s LYS 39 Ca -0.03 0.97 0.30 0.00 0.02 0.00 0.00 55.97 57.22 1fe8 s LYS 39 Cb -0.17 -2.01 1.38 0.00 -0.52 0.00 0.00 37.83 36.51 1fe8 s LYS 39 CO -0.08 -0.95 1.69 -1.35 -0.92 0.00 0.00 175.35 173.74 1fe8 h PRO 40 N -0.42 0.15 -0.04 -1.68 0.11 -1.90 0.58 132.00 128.79 1fe8 h PRO 40 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1fe8 h PRO 40 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1fe8 h PRO 40 CO 0.58 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1fe8 n ASP 41 N -4.52 0.30 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.82 1fe8 n ASP 41 Ca 0.32 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.92 1fe8 n ASP 41 Cb 1.29 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 41.25 1fe8 n ASP 41 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fe8 n GLY 42 N 0.74 1.35 3.70 6.12 0.00 0.20 -5.04 105.19 112.25 1fe8 n GLY 42 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1fe8 n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fe8 s THR 43 N -2.31 2.93 -0.05 2.61 2.01 -1.25 -4.68 115.64 114.91 1fe8 s THR 43 Ca 0.00 0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.49 1fe8 s THR 43 Cb 0.00 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1fe8 s THR 43 CO 0.00 0.01 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.16 1fe8 s VAL 44 N 2.31 3.51 0.01 3.82 1.01 -1.26 -0.44 120.40 129.36 1fe8 s VAL 44 Ca 0.73 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1fe8 s VAL 44 Cb -0.41 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1fe8 s VAL 44 CO 0.32 0.57 0.11 0.00 0.00 0.00 0.00 175.10 176.10 1fe8 s ARG 45 N -0.86 0.49 0.08 2.72 1.70 -0.23 -4.98 118.95 117.88 1fe8 s ARG 45 Ca 0.13 -0.51 -0.29 0.00 -0.47 0.00 0.00 55.73 54.58 1fe8 s ARG 45 Cb -0.11 0.20 -0.05 0.00 -0.57 0.00 0.00 34.95 34.42 1fe8 s ARG 45 CO 0.02 -0.12 0.93 -1.17 -1.08 0.00 0.00 175.30 173.88 1fe8 s LEU 46 N -1.59 4.47 -0.12 -1.89 2.96 -1.26 -1.32 118.68 119.93 1fe8 s LEU 46 Ca -0.12 1.72 -0.11 0.00 -0.22 0.00 0.00 54.13 55.39 1fe8 s LEU 46 Cb -0.06 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1fe8 s LEU 46 CO -0.00 -0.08 -0.24 0.18 -1.32 0.00 0.00 176.35 174.89 1fe8 n LEU 47 N 2.94 1.54 -4.10 -0.68 4.77 0.74 -4.74 117.00 117.46 1fe8 n LEU 47 Ca 0.02 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 56.01 1fe8 n LEU 47 Cb 0.50 -0.59 -0.16 0.00 -2.33 0.00 0.00 43.42 40.84 1fe8 n LEU 47 CO 0.51 -0.15 -0.48 -0.63 -1.33 0.00 0.00 177.39 175.30 1fe8 s ILE 48 N -2.51 1.24 0.17 -0.08 -1.09 -1.06 -1.50 121.20 116.37 1fe8 s ILE 48 Ca -0.22 -0.62 0.07 0.00 -2.23 0.00 0.00 60.65 57.65 1fe8 s ILE 48 Cb 0.05 -1.06 -0.04 0.00 -1.58 0.00 0.00 42.46 39.83 1fe8 s ILE 48 CO 0.30 0.36 -0.15 -0.72 -1.23 0.00 0.00 174.94 173.50 1fe8 s TYR 49 N -0.02 1.65 -1.42 3.97 -0.85 -0.18 0.16 117.35 120.65 1fe8 s TYR 49 Ca -0.01 -0.56 -0.05 0.00 -0.52 0.00 0.00 57.07 55.93 1fe8 s TYR 49 Cb -0.10 -0.80 0.04 0.00 0.38 0.00 0.00 41.96 41.48 1fe8 s TYR 49 CO 0.01 0.29 0.72 0.98 -1.52 0.00 0.00 175.55 176.03 1fe8 n TYR 50 N -0.02 -1.95 0.00 -3.49 9.36 -1.14 -1.65 117.16 118.27 1fe8 n TYR 50 Ca -0.11 0.84 0.00 0.00 3.32 0.00 0.00 57.90 61.95 1fe8 n TYR 50 Cb 0.59 -4.03 0.00 0.00 -0.63 0.00 0.00 39.34 35.27 1fe8 n TYR 50 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1fe8 n THR 51 N -4.43 0.00 -0.65 2.97 -1.04 0.64 -3.98 114.28 107.80 1fe8 n THR 51 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1fe8 n THR 51 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1fe8 n THR 51 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1fe8 n SER 52 N 1.47 0.58 -4.72 8.00 3.41 -1.22 -3.50 113.62 117.64 1fe8 n SER 52 Ca 0.00 -1.23 -0.38 0.00 -0.26 0.00 0.00 58.87 57.00 1fe8 n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1fe8 n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1fe8 s ARG 53 N -0.23 4.33 0.07 4.33 0.52 -0.66 -4.49 118.95 122.82 1fe8 s ARG 53 Ca 0.00 0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 55.35 1fe8 s ARG 53 Cb 0.00 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 1fe8 s ARG 53 CO 0.00 0.14 1.05 -0.51 0.02 0.00 0.00 175.30 176.00 1fe8 s LEU 54 N 0.68 4.41 0.51 2.53 1.43 -1.26 -1.01 118.68 125.97 1fe8 s LEU 54 Ca 0.26 1.85 -0.20 0.00 -1.03 0.00 0.00 54.13 55.01 1fe8 s LEU 54 Cb -0.15 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 1fe8 s LEU 54 CO 0.10 -0.27 1.07 -2.28 0.23 0.00 0.00 176.35 175.20 1fe8 s HIS 55 N 0.63 2.88 0.36 0.29 5.65 -0.56 -4.93 115.29 119.61 1fe8 s HIS 55 Ca 0.52 1.57 -0.28 0.00 0.25 0.00 0.00 55.06 57.12 1fe8 s HIS 55 Cb -0.25 -3.14 -0.11 0.00 -1.18 0.00 0.00 32.58 27.89 1fe8 s HIS 55 CO 0.30 -1.08 1.50 -1.13 -0.65 0.00 0.00 174.74 173.67 1fe8 n SER 56 N -1.08 3.75 0.00 9.88 3.41 -1.26 -2.31 113.62 126.01 1fe8 n SER 56 Ca 0.10 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.92 1fe8 n SER 56 Cb 0.52 -1.61 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1fe8 n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fe8 n GLY 57 N 0.81 3.34 3.72 5.00 0.00 -1.26 -5.04 105.19 111.77 1fe8 n GLY 57 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1fe8 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fe8 s VAL 58 N -2.38 3.90 0.51 1.61 1.01 -0.98 -4.98 120.40 119.09 1fe8 s VAL 58 Ca 0.00 1.42 -0.21 0.00 0.00 0.00 0.00 61.98 63.19 1fe8 s VAL 58 Cb 0.00 -3.91 -0.08 0.00 0.00 0.00 0.00 36.38 32.39 1fe8 s VAL 58 CO 0.00 0.14 0.95 -2.65 0.00 0.00 0.00 175.10 173.54 1fe8 n PRO 59 N 3.52 1.09 0.07 2.72 -0.02 -1.26 -4.88 135.00 136.24 1fe8 n PRO 59 Ca 0.08 0.41 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1fe8 n PRO 59 Cb 0.46 -2.07 0.41 0.00 -0.02 0.00 0.00 33.50 32.28 1fe8 n PRO 59 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1fe8 n SER 60 N -0.05 0.36 0.05 2.55 3.41 -1.26 -2.85 113.62 115.82 1fe8 n SER 60 Ca 0.11 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.39 1fe8 n SER 60 Cb 0.44 -0.66 0.37 0.00 -0.26 0.00 0.00 64.21 64.09 1fe8 n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1fe8 n ARG 61 N -1.89 0.07 -3.49 4.33 1.85 -1.26 -4.65 116.66 111.62 1fe8 n ARG 61 Ca 0.03 0.32 -0.37 0.00 -1.00 0.00 0.00 57.85 56.83 1fe8 n ARG 61 Cb 0.21 -1.63 -0.06 0.00 -1.05 0.00 0.00 32.46 29.94 1fe8 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1fe8 s PHE 62 N -3.11 3.67 0.17 2.89 0.40 -1.13 -0.77 117.98 120.10 1fe8 s PHE 62 Ca 0.06 0.96 -0.17 0.00 -0.60 0.00 0.00 56.93 57.17 1fe8 s PHE 62 Cb 0.09 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.38 1fe8 s PHE 62 CO 0.30 0.57 0.49 -1.54 0.70 0.00 0.00 175.22 175.74 1fe8 s SER 63 N -1.39 -0.27 0.03 1.36 1.04 -0.45 -4.99 113.70 109.03 1fe8 s SER 63 Ca 0.29 -0.41 -0.07 0.00 0.48 0.00 0.00 55.95 56.23 1fe8 s SER 63 Cb -0.16 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 1fe8 s SER 63 CO 0.16 -0.99 0.14 -0.83 0.98 0.00 0.00 173.24 172.70 1fe8 s GLY 64 N -2.85 0.10 0.22 7.32 0.00 -1.26 -1.06 107.32 109.79 1fe8 s GLY 64 Ca 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 44.72 44.35 1fe8 s GLY 64 CO -0.06 -0.54 0.38 -1.14 0.00 0.00 0.00 173.10 171.74 1fe8 n SER 65 N 0.81 -1.11 0.00 1.64 3.41 -0.57 -4.23 113.62 113.58 1fe8 n SER 65 Ca -0.19 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 1fe8 n SER 65 Cb 0.58 1.91 0.00 0.00 -0.26 0.00 0.00 64.21 66.44 1fe8 n SER 65 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fe8 n GLY 66 N -0.32 2.53 3.49 5.00 0.00 -1.26 -1.64 105.19 113.00 1fe8 n GLY 66 Ca -0.03 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.82 1fe8 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fe8 s SER 67 N 0.00 -0.62 1.71 1.61 1.04 -0.36 -4.98 113.70 112.10 1fe8 s SER 67 Ca 0.00 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1fe8 s SER 67 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1fe8 s SER 67 CO 0.00 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1fe8 n GLY 68 N 0.94 3.18 0.83 7.32 0.00 -1.26 -1.44 105.19 114.76 1fe8 n GLY 68 Ca -0.19 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1fe8 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fe8 n THR 69 N 0.00 1.42 -4.21 2.61 -2.24 -1.26 -4.76 114.28 105.84 1fe8 n THR 69 Ca 0.00 -1.25 -0.33 0.00 -2.27 0.00 0.00 64.05 60.20 1fe8 n THR 69 Cb 0.00 0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.41 1fe8 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1fe8 s ASP 70 N -1.24 5.35 0.08 3.42 1.01 -0.52 -0.67 116.67 124.10 1fe8 s ASP 70 Ca 0.32 0.06 -0.04 0.00 0.71 0.00 0.00 52.55 53.60 1fe8 s ASP 70 Cb 0.21 -1.46 -0.02 0.00 1.01 0.00 0.00 42.92 42.65 1fe8 s ASP 70 CO 0.16 0.28 0.08 -0.31 0.21 0.00 0.00 175.17 175.59 1fe8 s TYR 71 N -1.11 0.43 -0.13 4.23 1.51 0.44 -1.22 117.35 121.49 1fe8 s TYR 71 Ca 0.20 -0.90 -0.17 0.00 -1.01 0.00 0.00 57.07 55.19 1fe8 s TYR 71 Cb -0.12 -0.26 0.04 0.00 -0.11 0.00 0.00 41.96 41.51 1fe8 s TYR 71 CO 0.11 -0.48 0.44 -1.54 -1.11 0.00 0.00 175.55 172.97 1fe8 s SER 72 N -2.92 -0.43 -0.13 2.29 1.04 -0.65 -1.17 113.70 111.73 1fe8 s SER 72 Ca 0.09 0.73 -0.01 0.00 0.48 0.00 0.00 55.95 57.24 1fe8 s SER 72 Cb 0.07 0.77 -0.02 0.00 0.10 0.00 0.00 66.02 66.93 1fe8 s SER 72 CO -0.08 -0.25 -0.10 -0.22 0.98 0.00 0.00 173.24 173.57 1fe8 s LEU 73 N -0.18 2.93 -0.05 2.42 2.96 0.69 -1.51 118.68 125.94 1fe8 s LEU 73 Ca -0.04 -0.24 0.05 0.00 -0.22 0.00 0.00 54.13 53.68 1fe8 s LEU 73 Cb -0.03 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.98 1fe8 s LEU 73 CO 0.02 0.18 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.15 1fe8 s THR 74 N 0.29 1.59 -0.31 3.68 2.01 -0.22 -0.31 115.64 122.37 1fe8 s THR 74 Ca -0.07 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 1fe8 s THR 74 Cb -0.15 -1.36 0.04 0.00 0.01 0.00 0.00 72.50 71.04 1fe8 s THR 74 CO 0.04 0.45 0.04 -0.63 -0.69 0.00 0.00 174.62 173.83 1fe8 s ILE 75 N 0.00 3.33 0.33 1.82 1.01 0.68 -1.34 121.20 127.03 1fe8 s ILE 75 Ca -0.04 -1.21 0.01 0.00 0.00 0.00 0.00 60.65 59.41 1fe8 s ILE 75 Cb -0.12 -2.86 0.26 0.00 0.01 0.00 0.00 42.46 39.75 1fe8 s ILE 75 CO 0.03 -0.08 2.00 0.77 0.00 0.00 0.00 174.94 177.65 1fe8 h SER 76 N 8.09 0.80 -2.37 3.58 4.64 -1.23 0.11 113.55 127.17 1fe8 h SER 76 Ca -0.24 -0.02 -0.37 0.00 -0.47 0.00 0.00 61.79 60.69 1fe8 h SER 76 Cb 1.08 -0.20 -0.35 0.00 -0.31 0.00 0.00 62.40 62.62 1fe8 h SER 76 CO 0.57 0.58 -0.66 0.20 -0.87 0.00 0.00 176.83 176.64 1fe8 s ASN 77 N -6.42 2.01 0.01 4.97 0.01 -1.24 -3.43 114.94 110.85 1fe8 s ASN 77 Ca -0.10 -0.75 -0.30 0.00 -0.71 0.00 0.00 52.86 50.99 1fe8 s ASN 77 Cb 0.18 0.30 -0.09 0.00 0.41 0.00 0.00 41.25 42.04 1fe8 s ASN 77 CO 0.77 -0.39 1.98 -0.11 -1.51 0.00 0.00 177.10 177.85 1fe8 n LEU 78 N 5.30 4.06 -4.91 0.60 7.94 0.97 -4.66 117.00 126.29 1fe8 n LEU 78 Ca -0.04 0.88 -0.27 0.00 -1.11 0.00 0.00 56.01 55.47 1fe8 n LEU 78 Cb 0.46 -1.51 -0.04 0.00 0.53 0.00 0.00 43.42 42.86 1fe8 n LEU 78 CO 0.03 0.14 -0.13 -0.70 -1.11 0.00 0.00 177.39 175.62 1fe8 s GLU 79 N 4.52 3.34 0.48 1.96 -6.30 -1.26 0.16 118.70 121.60 1fe8 s GLU 79 Ca 0.90 -0.62 0.21 0.00 -2.50 0.00 0.00 54.97 52.96 1fe8 s GLU 79 Cb -0.46 -2.92 1.23 0.00 0.00 0.00 0.00 34.13 31.97 1fe8 s GLU 79 CO 0.43 0.53 1.96 1.03 0.02 0.00 0.00 175.26 179.23 1fe8 h SER 80 N 2.36 0.19 0.30 -1.70 0.87 -2.00 0.28 113.55 113.85 1fe8 h SER 80 Ca -0.48 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 1fe8 h SER 80 Cb 1.19 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.12 1fe8 h SER 80 CO 0.69 0.10 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.88 1fe8 h GLU 81 N 0.21 0.00 -0.01 2.24 4.81 -2.00 -2.93 114.58 116.90 1fe8 h GLU 81 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 1fe8 h GLU 81 Cb 0.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1fe8 h GLU 81 CO -0.06 0.13 -0.05 -0.25 -0.73 0.00 0.00 179.01 178.05 1fe8 n ASP 82 N -3.82 0.71 -4.58 1.04 8.00 0.97 -4.80 116.55 114.08 1fe8 n ASP 82 Ca -0.02 -1.01 -0.40 0.00 0.71 0.00 0.00 54.79 54.06 1fe8 n ASP 82 Cb 0.23 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 1fe8 n ASP 82 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1fe8 s ILE 83 N -2.19 3.30 0.03 0.53 -1.09 -1.11 -4.81 121.20 115.87 1fe8 s ILE 83 Ca 0.37 0.26 -0.04 0.00 -2.23 0.00 0.00 60.65 59.01 1fe8 s ILE 83 Cb 0.21 -3.53 0.01 0.00 -1.58 0.00 0.00 42.46 37.57 1fe8 s ILE 83 CO 0.40 -0.43 0.17 0.00 -1.23 0.00 0.00 174.94 173.86 1fe8 n ALA 84 N 12.17 -0.44 -2.84 9.38 0.00 -1.26 -4.48 120.51 133.04 1fe8 n ALA 84 Ca 0.26 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 1fe8 n ALA 84 Cb 0.49 0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.93 1fe8 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1fe8 s THR 85 N -2.52 3.67 -0.10 0.00 2.01 -0.35 -1.45 115.64 116.90 1fe8 s THR 85 Ca 0.04 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.59 1fe8 s THR 85 Cb -0.01 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 1fe8 s THR 85 CO 0.01 0.54 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.05 1fe8 s TYR 86 N -0.07 2.82 -0.01 4.92 1.51 -0.12 -0.11 117.35 126.28 1fe8 s TYR 86 Ca 0.01 -0.38 0.06 0.00 -1.01 0.00 0.00 57.07 55.75 1fe8 s TYR 86 Cb -0.13 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 1fe8 s TYR 86 CO 0.03 -0.01 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.19 1fe8 s PHE 87 N -0.10 1.86 0.39 2.71 0.40 -0.46 -0.32 117.98 122.45 1fe8 s PHE 87 Ca -0.01 -0.35 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1fe8 s PHE 87 Cb -0.14 -1.19 -0.01 0.00 0.51 0.00 0.00 43.02 42.20 1fe8 s PHE 87 CO 0.03 -0.03 0.56 0.00 0.70 0.00 0.00 175.22 176.49 1fe8 s GLN 89 N -4.35 0.37 -0.06 0.00 -0.44 0.27 -1.43 119.66 114.01 1fe8 s GLN 89 Ca 0.47 1.00 -0.30 0.00 -2.50 0.00 0.00 55.36 54.03 1fe8 s GLN 89 Cb -0.10 0.26 -0.04 0.00 -1.64 0.00 0.00 33.01 31.49 1fe8 s GLN 89 CO 0.34 -0.22 1.36 1.21 0.50 0.00 0.00 175.29 178.48 1fe8 s ASN 90 N 2.26 6.89 -0.03 6.67 2.47 -0.30 -1.64 114.94 131.26 1fe8 s ASN 90 Ca -0.04 1.96 0.05 0.00 0.42 0.00 0.00 52.86 55.24 1fe8 s ASN 90 Cb -0.11 -2.55 0.09 0.00 -1.45 0.00 0.00 41.25 37.23 1fe8 s ASN 90 CO -0.13 -0.73 1.06 0.61 -3.72 0.00 0.00 177.10 174.18 1fe8 n GLY 91 N 3.65 3.32 0.19 1.21 0.00 0.09 -3.38 105.19 110.28 1fe8 n GLY 91 Ca 0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1fe8 n GLY 91 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1fe8 h GLY 92 N 0.23 0.64 -3.10 -0.02 0.00 -1.77 -3.47 103.07 95.57 1fe8 h GLY 92 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 1fe8 h GLY 92 CO 0.01 0.52 -0.34 -0.51 0.00 0.00 0.00 176.54 176.22 1fe8 s THR 93 N -4.60 0.13 0.30 4.70 -4.23 -1.26 -5.09 115.64 105.58 1fe8 s THR 93 Ca -0.13 -1.14 -0.19 0.00 -1.18 0.00 0.00 61.69 59.04 1fe8 s THR 93 Cb 0.08 -1.38 -0.09 0.00 1.34 0.00 0.00 72.50 72.45 1fe8 s THR 93 CO 0.79 -0.58 0.78 0.20 -0.54 0.00 0.00 174.62 175.27 1fe8 s ASN 94 N -2.87 6.98 0.33 3.99 0.01 -1.26 -3.60 114.94 118.53 1fe8 s ASN 94 Ca 0.06 1.46 -0.23 0.00 -0.71 0.00 0.00 52.86 53.43 1fe8 s ASN 94 Cb 0.04 -2.44 -0.10 0.00 0.41 0.00 0.00 41.25 39.17 1fe8 s ASN 94 CO -0.10 -0.11 0.90 -2.16 -1.51 0.00 0.00 177.10 174.12 1fe8 s PRO 95 N -2.49 4.42 0.40 -0.60 0.04 -1.26 -5.02 135.00 130.50 1fe8 s PRO 95 Ca 0.50 1.18 -0.25 0.00 0.04 0.00 0.00 61.00 62.47 1fe8 s PRO 95 Cb -0.14 -2.64 -0.08 0.00 0.04 0.00 0.00 34.50 31.68 1fe8 s PRO 95 CO 0.19 0.21 1.21 -1.58 0.04 0.00 0.00 177.00 177.08 1fe8 s TRP 96 N -1.76 2.98 0.08 0.56 0.51 -1.24 -4.71 118.94 115.36 1fe8 s TRP 96 Ca 0.52 1.51 0.06 0.00 -2.12 0.00 0.00 56.10 56.07 1fe8 s TRP 96 Cb -0.16 -3.48 -0.03 0.00 -0.81 0.00 0.00 33.47 28.99 1fe8 s TRP 96 CO 0.20 -1.57 -0.15 0.95 -0.51 0.00 0.00 176.95 175.87 1fe8 s THR 97 N -1.37 1.23 0.13 2.01 -4.23 -1.22 -4.99 115.64 107.20 1fe8 s THR 97 Ca 0.57 -1.40 0.08 0.00 -1.18 0.00 0.00 61.69 59.76 1fe8 s THR 97 Cb -0.33 -1.20 -0.04 0.00 1.34 0.00 0.00 72.50 72.27 1fe8 s THR 97 CO 0.42 -0.23 -0.09 -0.36 -0.54 0.00 0.00 174.62 173.81 1fe8 s PHE 98 N -1.38 2.72 0.88 3.99 0.40 -1.26 -1.15 117.98 122.17 1fe8 s PHE 98 Ca 0.01 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1fe8 s PHE 98 Cb -0.09 -1.39 0.12 0.00 0.51 0.00 0.00 43.02 42.16 1fe8 s PHE 98 CO 0.03 0.45 1.13 0.20 0.70 0.00 0.00 175.22 177.73 1fe8 s GLY 99 N -2.41 1.59 0.00 4.36 0.00 -0.52 -4.49 107.32 105.85 1fe8 s GLY 99 Ca 0.23 -0.47 0.19 0.00 0.00 0.00 0.00 44.72 44.66 1fe8 s GLY 99 CO 0.14 0.05 1.58 0.61 0.00 0.00 0.00 173.10 175.48 1fe8 n GLY 100 N -2.29 -0.95 0.00 0.20 0.00 -1.26 -4.69 105.19 96.20 1fe8 n GLY 100 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1fe8 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fe8 n GLY 101 N 0.32 -0.27 2.82 -0.02 0.00 -1.26 -5.01 105.19 101.77 1fe8 n GLY 101 Ca 0.08 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 1fe8 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fe8 s THR 102 N -3.01 0.85 -0.08 2.61 2.01 0.57 -4.27 115.64 114.32 1fe8 s THR 102 Ca 0.00 -0.59 -0.17 0.00 0.31 0.00 0.00 61.69 61.24 1fe8 s THR 102 Cb 0.00 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.30 1fe8 s THR 102 CO 0.00 -0.02 0.44 -0.75 -0.69 0.00 0.00 174.62 173.60 1fe8 s LYS 103 N 1.73 4.21 0.02 4.92 2.20 0.80 -0.95 119.74 132.67 1fe8 s LYS 103 Ca -0.00 0.41 -0.09 0.00 -0.36 0.00 0.00 55.97 55.93 1fe8 s LYS 103 Cb -0.16 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1fe8 s LYS 103 CO -0.07 0.34 0.34 -0.51 -0.36 0.00 0.00 175.35 175.09 1fe8 s LEU 104 N 0.04 4.38 0.10 5.43 1.43 -0.53 -0.41 118.68 129.13 1fe8 s LEU 104 Ca 0.24 0.72 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 1fe8 s LEU 104 Cb -0.16 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1fe8 s LEU 104 CO 0.11 0.25 -0.16 -0.70 0.23 0.00 0.00 176.35 176.08 1fe8 s GLU 105 N -1.62 0.99 -0.20 1.70 2.12 0.50 -4.49 118.70 117.69 1fe8 s GLU 105 Ca 0.28 -1.14 -0.13 0.00 0.36 0.00 0.00 54.97 54.34 1fe8 s GLU 105 Cb -0.14 -1.00 -0.05 0.00 0.26 0.00 0.00 34.13 33.20 1fe8 s GLU 105 CO 0.15 0.21 0.28 0.08 -0.54 0.00 0.00 175.26 175.44 1fe8 s VAL 106 N -1.66 5.29 0.44 3.70 1.01 -1.26 -1.36 120.40 126.58 1fe8 s VAL 106 Ca 0.05 0.46 -0.23 0.00 0.00 0.00 0.00 61.98 62.26 1fe8 s VAL 106 Cb -0.08 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 1fe8 s VAL 106 CO 0.03 0.33 1.10 -0.75 0.00 0.00 0.00 175.10 175.81 1fe8 s LYS 107 N 0.94 3.90 0.25 2.72 2.20 0.18 -4.85 119.74 125.08 1fe8 s LYS 107 Ca 0.14 1.61 -0.17 0.00 -0.36 0.00 0.00 55.97 57.18 1fe8 s LYS 107 Cb -0.14 -2.39 0.01 0.00 -1.51 0.00 0.00 37.83 33.80 1fe8 s LYS 107 CO 0.05 -0.40 0.60 0.50 -0.36 0.00 0.00 175.35 175.74 1fe8 s ARG 108 N -2.72 1.63 0.40 4.03 3.52 -1.26 -4.82 118.95 119.73 1fe8 s ARG 108 Ca 0.62 -1.06 -0.24 0.00 -0.13 0.00 0.00 55.73 54.92 1fe8 s ARG 108 Cb -0.24 0.54 -0.08 0.00 -1.56 0.00 0.00 34.95 33.61 1fe8 s ARG 108 CO 0.30 -0.71 1.11 0.00 -0.81 0.00 0.00 175.30 175.18 1fe8 s ALA 109 N -3.95 3.10 0.36 6.12 0.00 -1.26 -4.95 121.76 121.19 1fe8 s ALA 109 Ca 0.15 0.84 -0.27 0.00 0.00 0.00 0.00 51.96 52.68 1fe8 s ALA 109 Cb -0.03 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 1fe8 s ALA 109 CO 0.06 -0.40 1.24 -0.25 0.00 0.00 0.00 175.76 176.41 1fe8 n ASP 110 N -0.03 2.49 -3.82 0.00 9.92 -1.26 -4.79 116.55 119.06 1fe8 n ASP 110 Ca 0.05 1.18 -0.13 0.00 -0.53 0.00 0.00 54.79 55.35 1fe8 n ASP 110 Cb 0.48 -1.46 -0.14 0.00 -0.64 0.00 0.00 41.12 39.36 1fe8 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fe8 s ALA 111 N -1.12 -0.11 0.40 2.24 0.00 0.17 -4.91 121.76 118.42 1fe8 s ALA 111 Ca 0.57 0.28 -0.23 0.00 0.00 0.00 0.00 51.96 52.59 1fe8 s ALA 111 Cb -0.57 -0.19 -0.10 0.00 0.00 0.00 0.00 23.12 22.26 1fe8 s ALA 111 CO 0.61 -0.07 0.96 0.00 0.00 0.00 0.00 175.76 177.26 1fe8 s ALA 112 N 0.45 3.09 0.60 0.00 0.00 -1.26 -1.27 121.76 123.37 1fe8 s ALA 112 Ca -0.04 0.46 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 1fe8 s ALA 112 Cb -0.05 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1fe8 s ALA 112 CO -0.02 0.11 1.05 -1.25 0.00 0.00 0.00 175.76 175.65 1fe8 s PRO 113 N -2.79 3.33 -0.31 0.00 0.04 -1.26 -4.50 135.00 129.50 1fe8 s PRO 113 Ca 0.58 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 1fe8 s PRO 113 Cb -0.13 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1fe8 s PRO 113 CO 0.17 -0.80 0.12 0.99 0.04 0.00 0.00 177.00 177.53 1fe8 s THR 114 N -2.59 4.31 -0.14 1.26 2.01 -0.12 -4.88 115.64 115.51 1fe8 s THR 114 Ca 0.62 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.98 1fe8 s THR 114 Cb -0.15 -3.22 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1fe8 s THR 114 CO 0.40 0.06 0.10 -0.89 -0.69 0.00 0.00 174.62 173.59 1fe8 s THR 115 N 1.56 5.18 -0.02 -0.82 2.01 -1.26 -1.02 115.64 121.28 1fe8 s THR 115 Ca 0.04 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1fe8 s THR 115 Cb -0.17 -3.28 0.03 0.00 0.01 0.00 0.00 72.50 69.09 1fe8 s THR 115 CO 0.05 0.56 0.02 -0.44 -0.69 0.00 0.00 174.62 174.12 1fe8 s SER 116 N -0.54 0.14 -0.01 3.53 0.01 -0.55 -4.98 113.70 111.31 1fe8 s SER 116 Ca 0.12 0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.43 1fe8 s SER 116 Cb -0.12 -0.09 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 1fe8 s SER 116 CO 0.02 -0.11 -0.09 -0.51 0.41 0.00 0.00 173.24 172.96 1fe8 s ILE 117 N 0.93 3.49 -0.09 1.44 2.07 -1.26 -0.98 121.20 126.79 1fe8 s ILE 117 Ca -0.08 -0.76 -0.00 0.00 -1.41 0.00 0.00 60.65 58.39 1fe8 s ILE 117 Cb -0.12 -2.48 0.02 0.00 0.13 0.00 0.00 42.46 40.02 1fe8 s ILE 117 CO -0.02 0.45 -0.05 -0.36 -1.91 0.00 0.00 174.94 173.04 1fe8 s PHE 118 N -0.92 1.19 0.86 3.50 0.08 0.17 -4.99 117.98 117.87 1fe8 s PHE 118 Ca 0.15 -0.52 -0.12 0.00 0.12 0.00 0.00 56.93 56.56 1fe8 s PHE 118 Cb -0.11 -1.06 0.11 0.00 -0.57 0.00 0.00 43.02 41.39 1fe8 s PHE 118 CO 0.05 -0.43 1.10 -1.25 -0.10 0.00 0.00 175.22 174.59 1fe8 s PRO 119 N 1.69 1.54 0.51 0.24 0.04 -1.26 -1.56 135.00 136.21 1fe8 s PRO 119 Ca 0.03 0.72 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 1fe8 s PRO 119 Cb -0.13 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.49 1fe8 s PRO 119 CO -0.06 -2.02 1.05 -2.30 0.04 0.00 0.00 177.00 173.71 1fe8 n PRO 120 N -3.72 1.26 -2.83 0.56 -0.02 -1.20 -4.81 135.00 124.24 1fe8 n PRO 120 Ca 0.07 0.47 -0.36 0.00 -2.02 0.00 0.00 63.50 61.65 1fe8 n PRO 120 Cb 0.56 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 1fe8 n PRO 120 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1fe8 s SER 121 N -0.95 7.24 0.35 2.55 1.04 -1.26 -4.91 113.70 117.75 1fe8 s SER 121 Ca 0.69 1.75 0.10 0.00 0.48 0.00 0.00 55.95 58.98 1fe8 s SER 121 Cb -0.47 -2.55 0.86 0.00 0.10 0.00 0.00 66.02 63.96 1fe8 s SER 121 CO 0.52 -0.09 1.81 0.77 0.98 0.00 0.00 173.24 177.23 1fe8 h SER 122 N 3.03 0.65 -0.36 7.02 4.64 -1.99 0.32 113.55 126.85 1fe8 h SER 122 Ca -0.47 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 60.94 1fe8 h SER 122 Cb 1.19 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 1fe8 h SER 122 CO 0.64 0.25 0.21 -0.33 -0.87 0.00 0.00 176.83 176.74 1fe8 h GLU 123 N 0.65 0.41 -0.27 4.77 3.07 -2.00 -2.13 114.58 119.08 1fe8 h GLU 123 Ca 0.53 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 59.24 1fe8 h GLU 123 Cb 0.97 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 1fe8 h GLU 123 CO -0.29 0.27 -0.35 0.37 -1.40 0.00 0.00 179.01 177.61 1fe8 h GLN 124 N 0.42 0.60 -0.28 2.33 4.15 -1.31 -2.81 115.11 118.22 1fe8 h GLN 124 Ca 0.15 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 1fe8 h GLN 124 Cb 0.02 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.68 1fe8 h GLN 124 CO -0.07 0.87 0.03 -0.07 -1.93 0.00 0.00 178.83 177.65 1fe8 h LEU 125 N 0.50 0.37 -1.11 -2.39 3.38 -0.96 -1.77 115.31 113.34 1fe8 h LEU 125 Ca 0.05 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1fe8 h LEU 125 Cb 0.84 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1fe8 h LEU 125 CO 0.07 0.41 0.49 0.74 0.09 0.00 0.00 178.44 180.25 1fe8 h THR 126 N 0.40 1.22 -0.02 0.22 2.02 -1.12 -1.90 112.91 113.73 1fe8 h THR 126 Ca 0.09 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1fe8 h THR 126 Cb 0.22 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1fe8 h THR 126 CO 0.00 0.23 0.00 -1.20 0.37 0.00 0.00 175.52 174.93 1fe8 n SER 127 N -4.38 0.29 0.00 4.18 7.64 -0.71 -4.88 113.62 115.76 1fe8 n SER 127 Ca 0.09 -1.32 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1fe8 n SER 127 Cb 0.06 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1fe8 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fe8 n GLY 128 N 0.92 1.01 3.95 0.23 0.00 -0.71 -5.05 105.19 105.53 1fe8 n GLY 128 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1fe8 n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fe8 s GLY 129 N -1.74 1.32 -0.29 -0.02 0.00 -0.92 -1.77 107.32 103.91 1fe8 s GLY 129 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.70 1fe8 s GLY 129 CO 0.00 -1.00 0.34 0.00 0.00 0.00 0.00 173.10 172.44 1fe8 s ALA 130 N -2.15 -0.78 -0.15 3.20 0.00 -0.93 -3.23 121.76 117.73 1fe8 s ALA 130 Ca 0.37 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.21 1fe8 s ALA 130 Cb -0.09 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 1fe8 s ALA 130 CO 0.33 -1.74 -0.07 -1.12 0.00 0.00 0.00 175.76 173.16 1fe8 s SER 131 N 2.43 4.50 -0.19 0.00 0.01 -1.26 -0.81 113.70 118.37 1fe8 s SER 131 Ca 0.10 -0.20 -0.06 0.00 1.31 0.00 0.00 55.95 57.10 1fe8 s SER 131 Cb -0.13 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.35 1fe8 s SER 131 CO -0.32 0.17 0.02 -0.69 0.41 0.00 0.00 173.24 172.83 1fe8 s VAL 132 N 0.35 4.18 0.04 3.43 1.01 0.36 -3.23 120.40 126.54 1fe8 s VAL 132 Ca -0.07 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1fe8 s VAL 132 Cb -0.15 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1fe8 s VAL 132 CO 0.04 0.44 -0.13 -0.69 0.00 0.00 0.00 175.10 174.76 1fe8 s VAL 133 N 0.78 3.16 -0.02 2.92 1.01 -0.60 -0.29 120.40 127.36 1fe8 s VAL 133 Ca 0.01 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.93 1fe8 s VAL 133 Cb -0.14 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1fe8 s VAL 133 CO 0.02 0.32 0.01 0.00 0.00 0.00 0.00 175.10 175.45 1fe8 s PHE 135 N 0.88 2.86 -0.39 0.00 0.08 -0.15 -0.26 117.98 121.00 1fe8 s PHE 135 Ca -0.08 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 56.63 1fe8 s PHE 135 Cb -0.11 -1.81 0.11 0.00 -0.57 0.00 0.00 43.02 40.64 1fe8 s PHE 135 CO -0.02 -0.01 0.12 -0.51 -0.10 0.00 0.00 175.22 174.69 1fe8 s LEU 136 N -0.03 4.30 0.08 -0.37 1.02 -0.20 -1.48 118.68 122.00 1fe8 s LEU 136 Ca -0.02 -2.35 0.03 0.00 0.02 0.00 0.00 54.13 51.82 1fe8 s LEU 136 Cb -0.14 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.51 1fe8 s LEU 136 CO 0.03 -0.34 0.07 0.20 0.02 0.00 0.00 176.35 176.34 1fe8 s ASN 137 N 0.64 5.48 -1.16 2.29 0.02 -0.19 -0.64 114.94 121.38 1fe8 s ASN 137 Ca 0.13 -0.03 -0.10 0.00 -1.02 0.00 0.00 52.86 51.84 1fe8 s ASN 137 Cb -0.21 -1.45 -0.02 0.00 0.02 0.00 0.00 41.25 39.58 1fe8 s ASN 137 CO -0.07 0.17 0.81 0.59 0.02 0.00 0.00 177.10 178.62 1fe8 n ASN 138 N 0.46 -4.39 -4.61 -1.22 4.13 -0.98 -0.94 115.26 107.70 1fe8 n ASN 138 Ca -0.09 -0.86 -0.25 0.00 1.68 0.00 0.00 54.58 55.07 1fe8 n ASN 138 Cb 0.52 -4.17 -0.09 0.00 -1.54 0.00 0.00 39.78 34.50 1fe8 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1fe8 s PHE 139 N -3.50 2.52 -0.25 3.10 -0.71 0.17 -4.52 117.98 114.79 1fe8 s PHE 139 Ca 0.32 -0.42 -0.21 0.00 -1.04 0.00 0.00 56.93 55.58 1fe8 s PHE 139 Cb -0.08 -1.41 0.07 0.00 -1.21 0.00 0.00 43.02 40.39 1fe8 s PHE 139 CO 0.81 0.52 0.66 -0.47 -1.34 0.00 0.00 175.22 175.40 1fe8 s TYR 140 N -2.51 -0.81 1.20 3.49 5.04 -0.40 -0.27 117.35 123.09 1fe8 s TYR 140 Ca 0.34 1.85 -0.20 0.00 -2.44 0.00 0.00 57.07 56.62 1fe8 s TYR 140 Cb -0.01 0.35 0.29 0.00 0.35 0.00 0.00 41.96 42.94 1fe8 s TYR 140 CO 0.19 -0.40 1.15 -1.25 -1.34 0.00 0.00 175.55 173.90 1fe8 s PRO 141 N 0.73 -1.21 0.66 4.97 0.04 -1.26 -0.66 135.00 138.28 1fe8 s PRO 141 Ca -0.03 -0.21 0.42 0.00 0.04 0.00 0.00 61.00 61.22 1fe8 s PRO 141 Cb -0.05 -1.61 2.28 0.00 0.04 0.00 0.00 34.50 35.16 1fe8 s PRO 141 CO -0.05 -3.68 2.30 1.57 0.04 0.00 0.00 177.00 177.18 1fe8 h LYS 142 N -2.55 0.00 -6.65 4.56 5.09 -1.97 -3.44 116.57 111.61 1fe8 h LYS 142 Ca -0.43 0.00 -0.51 0.00 0.09 0.00 0.00 60.65 59.80 1fe8 h LYS 142 Cb 1.28 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.58 1fe8 h LYS 142 CO 0.31 0.00 0.18 -0.51 -2.09 0.00 0.00 179.45 177.33 1fe8 s ASP 143 N -5.11 7.16 -0.06 7.07 1.01 -1.26 -5.02 116.67 120.47 1fe8 s ASP 143 Ca -0.05 1.55 -0.29 0.00 0.71 0.00 0.00 52.55 54.47 1fe8 s ASP 143 Cb 0.13 -2.47 0.11 0.00 1.01 0.00 0.00 42.92 41.69 1fe8 s ASP 143 CO 0.40 0.02 0.88 -0.51 0.21 0.00 0.00 175.17 176.18 1fe8 s ILE 144 N -1.51 0.00 0.01 0.77 2.07 -1.26 -4.61 121.20 116.66 1fe8 s ILE 144 Ca 0.44 0.00 0.07 0.00 -1.41 0.00 0.00 60.65 59.75 1fe8 s ILE 144 Cb -0.18 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.39 1fe8 s ILE 144 CO 0.22 0.00 -0.21 0.21 -1.91 0.00 0.00 174.94 173.25 1fe8 s ASN 145 N -1.80 2.53 -0.03 4.50 2.47 -0.63 -5.01 114.94 116.97 1fe8 s ASN 145 Ca 0.00 -0.45 0.05 0.00 0.42 0.00 0.00 52.86 52.88 1fe8 s ASN 145 Cb -0.01 -0.25 -0.01 0.00 -1.45 0.00 0.00 41.25 39.53 1fe8 s ASN 145 CO -0.03 0.23 -0.17 0.54 -3.72 0.00 0.00 177.10 173.95 1fe8 s VAL 146 N -0.62 1.36 -0.04 -5.21 0.11 -1.26 -1.47 120.40 113.27 1fe8 s VAL 146 Ca 0.08 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 58.46 1fe8 s VAL 146 Cb -0.09 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1fe8 s VAL 146 CO 0.00 0.39 -0.13 -0.75 -3.33 0.00 0.00 175.10 171.28 1fe8 s LYS 147 N -0.13 1.42 -0.01 1.54 2.20 0.05 -4.97 119.74 119.83 1fe8 s LYS 147 Ca 0.01 -0.46 -0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1fe8 s LYS 147 Cb -0.09 -1.26 -0.04 0.00 -1.51 0.00 0.00 37.83 34.93 1fe8 s LYS 147 CO 0.01 0.17 0.12 -1.58 -0.36 0.00 0.00 175.35 173.70 1fe8 s TRP 148 N 0.17 3.39 -0.01 4.03 0.52 -1.26 -0.54 118.94 125.24 1fe8 s TRP 148 Ca -0.05 0.28 0.02 0.00 0.02 0.00 0.00 56.10 56.37 1fe8 s TRP 148 Cb -0.11 -1.78 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 1fe8 s TRP 148 CO 0.02 0.59 -0.06 0.15 0.02 0.00 0.00 176.95 177.67 1fe8 s LYS 149 N -1.75 0.54 -0.17 4.98 1.02 -0.27 -1.38 119.74 122.71 1fe8 s LYS 149 Ca 0.24 -0.19 0.01 0.00 0.02 0.00 0.00 55.97 56.05 1fe8 s LYS 149 Cb -0.12 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.67 1fe8 s LYS 149 CO 0.15 0.09 -0.20 0.42 -0.92 0.00 0.00 175.35 174.88 1fe8 s ILE 150 N 0.06 2.07 -1.57 2.17 1.01 0.58 -0.50 121.20 125.02 1fe8 s ILE 150 Ca -0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.58 1fe8 s ILE 150 Cb -0.05 -1.86 0.09 0.00 0.01 0.00 0.00 42.46 40.66 1fe8 s ILE 150 CO -0.00 0.54 0.74 0.47 0.00 0.00 0.00 174.94 176.69 1fe8 n ASP 151 N 4.48 -2.85 0.00 3.58 8.00 0.97 -1.10 116.55 129.62 1fe8 n ASP 151 Ca -0.21 -0.94 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1fe8 n ASP 151 Cb 0.50 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 1fe8 n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fe8 n GLY 152 N -1.63 2.76 3.75 0.44 0.00 -1.26 -5.02 105.19 104.24 1fe8 n GLY 152 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1fe8 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fe8 s SER 153 N -3.65 5.58 0.36 1.61 0.01 -0.26 -5.01 113.70 112.34 1fe8 s SER 153 Ca 0.00 0.18 -0.28 0.00 1.31 0.00 0.00 55.95 57.15 1fe8 s SER 153 Cb 0.00 -1.61 -0.10 0.00 0.21 0.00 0.00 66.02 64.51 1fe8 s SER 153 CO 0.00 0.32 1.37 -0.70 0.41 0.00 0.00 173.24 174.64 1fe8 s GLU 154 N -1.36 4.22 -0.24 12.44 2.12 -1.26 -0.31 118.70 134.31 1fe8 s GLU 154 Ca 0.18 2.33 -0.02 0.00 0.36 0.00 0.00 54.97 57.83 1fe8 s GLU 154 Cb -0.12 -3.00 0.02 0.00 0.26 0.00 0.00 34.13 31.30 1fe8 s GLU 154 CO 0.09 -0.34 -0.07 0.50 -0.54 0.00 0.00 175.26 174.89 1fe8 s ARG 155 N -1.95 2.90 -0.16 4.30 6.06 -0.48 -4.84 118.95 124.78 1fe8 s ARG 155 Ca 0.51 -0.93 0.17 0.00 -2.50 0.00 0.00 55.73 52.98 1fe8 s ARG 155 Cb -0.42 -2.95 -0.25 0.00 0.06 0.00 0.00 34.95 31.39 1fe8 s ARG 155 CO 0.56 -0.36 0.21 1.04 -2.50 0.00 0.00 175.30 174.24 1fe8 n GLN 156 N 4.68 0.68 -3.02 5.12 6.02 -1.26 -4.42 117.38 125.17 1fe8 n GLN 156 Ca -0.17 0.04 -0.27 0.00 -0.01 0.00 0.00 57.00 56.59 1fe8 n GLN 156 Cb 0.48 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 1fe8 n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1fe8 s ASN 157 N -5.55 6.33 -0.68 1.08 4.22 -1.26 -4.38 114.94 114.69 1fe8 s ASN 157 Ca -0.09 0.76 0.00 0.00 -2.14 0.00 0.00 52.86 51.39 1fe8 s ASN 157 Cb 0.07 -2.17 0.00 0.00 1.28 0.00 0.00 41.25 40.43 1fe8 s ASN 157 CO 0.83 -0.40 0.00 0.61 -2.04 0.00 0.00 177.10 176.10 1fe8 n GLY 158 N -1.76 0.49 3.53 0.45 0.00 -1.26 -4.83 105.19 101.82 1fe8 n GLY 158 Ca -0.01 -0.65 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1fe8 n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fe8 s VAL 159 N -2.31 3.84 -0.05 1.61 1.01 -1.26 -0.53 120.40 122.71 1fe8 s VAL 159 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.56 1fe8 s VAL 159 Cb 0.00 -2.64 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1fe8 s VAL 159 CO 0.00 0.54 0.10 -0.22 0.00 0.00 0.00 175.10 175.52 1fe8 s LEU 160 N -0.09 0.69 0.08 3.92 2.96 -0.68 -5.00 118.68 120.56 1fe8 s LEU 160 Ca 0.02 0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.20 1fe8 s LEU 160 Cb -0.13 0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.69 1fe8 s LEU 160 CO 0.03 -0.16 -0.15 0.20 -1.32 0.00 0.00 176.35 174.94 1fe8 s ASN 161 N 1.37 4.02 -0.02 3.68 0.01 -1.26 -1.04 114.94 121.70 1fe8 s ASN 161 Ca -0.06 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 51.67 1fe8 s ASN 161 Cb -0.12 -0.67 -0.00 0.00 0.41 0.00 0.00 41.25 40.87 1fe8 s ASN 161 CO -0.05 0.21 -0.11 -0.55 -1.51 0.00 0.00 177.10 175.09 1fe8 s SER 162 N -1.90 1.34 -0.06 -1.22 0.15 0.66 -4.97 113.70 107.70 1fe8 s SER 162 Ca 0.18 -0.21 0.05 0.00 0.70 0.00 0.00 55.95 56.67 1fe8 s SER 162 Cb -0.11 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.95 1fe8 s SER 162 CO 0.09 0.11 -0.20 0.26 1.20 0.00 0.00 173.24 174.71 1fe8 s TRP 163 N -0.09 2.56 0.60 3.44 0.52 -1.26 0.09 118.94 124.81 1fe8 s TRP 163 Ca 0.01 -0.48 -0.09 0.00 0.02 0.00 0.00 56.10 55.57 1fe8 s TRP 163 Cb -0.06 -1.63 -0.01 0.00 -1.15 0.00 0.00 33.47 30.61 1fe8 s TRP 163 CO 0.00 -0.05 0.96 0.95 0.02 0.00 0.00 176.95 178.83 1fe8 s THR 164 N -0.35 4.18 0.75 2.01 -4.23 -0.74 -5.02 115.64 112.24 1fe8 s THR 164 Ca 0.02 0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 60.83 1fe8 s THR 164 Cb -0.12 -3.67 0.04 0.00 1.34 0.00 0.00 72.50 70.09 1fe8 s THR 164 CO 0.02 -0.78 1.12 -0.62 -0.54 0.00 0.00 174.62 173.82 1fe8 s ASP 165 N -4.24 4.99 0.28 3.99 3.68 -1.26 -4.61 116.67 119.51 1fe8 s ASP 165 Ca 0.54 1.07 -0.30 0.00 2.13 0.00 0.00 52.55 55.99 1fe8 s ASP 165 Cb -0.11 -1.78 -0.13 0.00 -1.45 0.00 0.00 42.92 39.45 1fe8 s ASP 165 CO 0.49 -1.62 1.30 1.67 0.13 0.00 0.00 175.17 177.14 1fe8 n GLN 166 N -3.18 1.94 -2.14 4.34 7.27 -1.26 -4.79 117.38 119.56 1fe8 n GLN 166 Ca 0.07 0.69 -0.42 0.00 0.07 0.00 0.00 57.00 57.41 1fe8 n GLN 166 Cb 0.58 -2.27 -0.03 0.00 2.41 0.00 0.00 30.24 30.93 1fe8 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1fe8 s ASP 167 N -0.07 6.80 0.38 1.69 2.15 -0.13 -4.90 116.67 122.58 1fe8 s ASP 167 Ca 0.62 2.36 0.28 0.00 0.43 0.00 0.00 52.55 56.23 1fe8 s ASP 167 Cb -0.63 -2.59 1.12 0.00 -0.30 0.00 0.00 42.92 40.53 1fe8 s ASP 167 CO 0.56 -0.68 1.82 0.77 -0.17 0.00 0.00 175.17 177.48 1fe8 h SER 168 N 6.83 0.00 0.00 -0.34 4.64 -1.90 -1.44 113.55 121.34 1fe8 h SER 168 Ca -0.42 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.86 1fe8 h SER 168 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1fe8 h SER 168 CO 0.87 0.00 -0.93 0.29 -0.87 0.00 0.00 176.83 176.20 1fe8 n LYS 169 N -2.60 0.51 -0.01 4.77 5.02 -1.26 -4.69 118.16 119.90 1fe8 n LYS 169 Ca 0.02 0.35 0.12 0.00 -2.02 0.00 0.00 58.31 56.78 1fe8 n LYS 169 Cb 0.27 -1.55 0.14 0.00 -0.02 0.00 0.00 35.03 33.87 1fe8 n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1fe8 n ASP 170 N -4.51 2.89 -1.54 4.39 3.85 -1.26 -4.98 116.55 115.41 1fe8 n ASP 170 Ca -0.15 -1.96 -0.17 0.00 -0.71 0.00 0.00 54.79 51.80 1fe8 n ASP 170 Cb 0.45 -0.01 -0.05 0.00 -1.35 0.00 0.00 41.12 40.16 1fe8 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1fe8 n SER 171 N 1.26 -5.06 -5.00 -1.12 7.64 -0.54 -5.00 113.62 105.80 1fe8 n SER 171 Ca 0.15 0.27 -0.21 0.00 1.01 0.00 0.00 58.87 60.09 1fe8 n SER 171 Cb 0.58 -4.10 0.04 0.00 -1.01 0.00 0.00 64.21 59.73 1fe8 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1fe8 s THR 172 N -2.71 2.06 0.20 0.44 -4.23 -1.26 -4.74 115.64 105.41 1fe8 s THR 172 Ca 0.00 -1.12 0.08 0.00 -1.18 0.00 0.00 61.69 59.47 1fe8 s THR 172 Cb 0.00 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.61 1fe8 s THR 172 CO 0.00 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.62 1fe8 s TYR 173 N -2.68 1.72 0.07 3.99 1.51 0.62 -0.95 117.35 121.64 1fe8 s TYR 173 Ca 0.55 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1fe8 s TYR 173 Cb -0.05 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 1fe8 s TYR 173 CO 0.35 0.36 -0.05 -1.12 -1.11 0.00 0.00 175.55 173.98 1fe8 s SER 174 N -3.28 0.80 -0.05 2.29 0.01 -1.26 -0.65 113.70 111.56 1fe8 s SER 174 Ca 0.22 -0.96 -0.07 0.00 1.31 0.00 0.00 55.95 56.45 1fe8 s SER 174 Cb -0.01 0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.37 1fe8 s SER 174 CO 0.07 -0.51 0.17 0.00 0.41 0.00 0.00 173.24 173.38 1fe8 s MET 175 N -3.67 0.28 -0.11 12.44 0.23 0.18 -1.79 119.30 126.86 1fe8 s MET 175 Ca 0.07 0.08 0.00 0.00 -1.03 0.00 0.00 55.69 54.82 1fe8 s MET 175 Cb 0.05 0.13 -0.02 0.00 -1.53 0.00 0.00 34.83 33.46 1fe8 s MET 175 CO -0.07 -0.05 -0.12 0.45 -2.03 0.00 0.00 175.02 173.20 1fe8 s SER 176 N -0.29 4.14 -0.10 -1.18 0.15 0.11 -1.03 113.70 115.49 1fe8 s SER 176 Ca -0.04 -0.26 0.03 0.00 0.70 0.00 0.00 55.95 56.38 1fe8 s SER 176 Cb -0.03 -1.44 0.01 0.00 -1.71 0.00 0.00 66.02 62.85 1fe8 s SER 176 CO 0.01 0.22 -0.20 -0.55 1.20 0.00 0.00 173.24 173.91 1fe8 s SER 177 N 0.05 2.78 -0.10 5.45 0.15 0.64 -0.25 113.70 122.42 1fe8 s SER 177 Ca -0.04 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.13 1fe8 s SER 177 Cb -0.14 -1.27 0.01 0.00 -1.71 0.00 0.00 66.02 62.90 1fe8 s SER 177 CO 0.04 0.10 -0.20 -0.89 1.20 0.00 0.00 173.24 173.49 1fe8 s THR 178 N 0.61 1.77 -0.28 6.45 2.01 -0.21 -0.45 115.64 125.55 1fe8 s THR 178 Ca -0.14 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 60.96 1fe8 s THR 178 Cb -0.17 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.78 1fe8 s THR 178 CO 0.04 0.50 0.07 -0.22 -0.69 0.00 0.00 174.62 174.31 1fe8 s LEU 179 N 0.56 3.65 -0.17 4.42 2.96 0.60 -1.68 118.68 129.01 1fe8 s LEU 179 Ca -0.15 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1fe8 s LEU 179 Cb -0.17 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 1fe8 s LEU 179 CO 0.05 -0.13 0.09 -0.89 -1.32 0.00 0.00 176.35 174.15 1fe8 s THR 180 N 1.53 5.09 0.16 3.68 2.01 0.31 -0.49 115.64 127.94 1fe8 s THR 180 Ca 0.04 0.07 -0.02 0.00 0.31 0.00 0.00 61.69 62.08 1fe8 s THR 180 Cb -0.16 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 1fe8 s THR 180 CO 0.02 0.49 0.12 -0.76 -0.69 0.00 0.00 174.62 173.80 1fe8 s LEU 181 N 0.08 1.44 0.44 4.42 1.43 0.01 -4.68 118.68 121.82 1fe8 s LEU 181 Ca 0.07 -1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 51.85 1fe8 s LEU 181 Cb -0.12 0.49 -0.07 0.00 0.03 0.00 0.00 46.19 46.52 1fe8 s LEU 181 CO 0.00 -0.80 0.83 0.42 0.23 0.00 0.00 176.35 177.04 1fe8 s THR 182 N -4.07 4.71 0.38 5.49 -4.23 -1.26 -2.20 115.64 114.47 1fe8 s THR 182 Ca 0.27 0.79 0.07 0.00 -1.18 0.00 0.00 61.69 61.64 1fe8 s THR 182 Cb 0.06 -3.73 0.29 0.00 1.34 0.00 0.00 72.50 70.47 1fe8 s THR 182 CO 0.05 -0.58 1.98 0.50 -0.54 0.00 0.00 174.62 176.02 1fe8 h LYS 183 N 1.13 0.66 0.34 3.99 3.64 -1.58 0.13 116.57 124.88 1fe8 h LYS 183 Ca -0.47 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1fe8 h LYS 183 Cb 1.19 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1fe8 h LYS 183 CO 0.63 0.44 -0.16 -0.44 -2.27 0.00 0.00 179.45 177.65 1fe8 h ASP 184 N 0.68 -0.38 -0.72 4.20 3.32 -1.92 0.93 116.42 122.53 1fe8 h ASP 184 Ca 0.28 -0.08 0.09 0.00 0.02 0.00 0.00 57.03 57.34 1fe8 h ASP 184 Cb 0.24 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.81 1fe8 h ASP 184 CO -0.09 -0.14 0.37 -0.08 -1.72 0.00 0.00 179.24 177.58 1fe8 h GLU 185 N -0.61 0.61 0.26 3.56 4.57 -1.80 -2.23 114.58 118.94 1fe8 h GLU 185 Ca -0.05 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1fe8 h GLU 185 Cb 0.44 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1fe8 h GLU 185 CO 0.08 0.40 -0.12 -0.92 -1.18 0.00 0.00 179.01 177.27 1fe8 h TYR 186 N 0.63 -0.32 0.00 0.92 3.20 -0.51 -2.60 116.97 118.28 1fe8 h TYR 186 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1fe8 h TYR 186 Cb 0.35 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1fe8 h TYR 186 CO -0.10 -0.14 0.00 0.39 -1.64 0.00 0.00 178.16 176.67 1fe8 n GLU 187 N -5.20 0.05 -0.14 1.82 -0.58 0.30 -2.22 120.64 114.67 1fe8 n GLU 187 Ca -0.10 0.48 0.06 0.00 -0.42 0.00 0.00 57.16 57.19 1fe8 n GLU 187 Cb 0.19 -1.65 0.19 0.00 -0.57 0.00 0.00 31.44 29.60 1fe8 n GLU 187 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1fe8 n ARG 188 N -1.76 1.71 -4.10 3.49 1.74 -0.87 -4.91 116.66 111.96 1fe8 n ARG 188 Ca 0.00 -1.09 -0.10 0.00 -0.77 0.00 0.00 57.85 55.89 1fe8 n ARG 188 Cb 0.06 -1.27 -0.09 0.00 -1.02 0.00 0.00 32.46 30.14 1fe8 n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1fe8 s HIS 189 N -1.63 0.78 -0.08 -1.55 3.76 -0.94 -5.09 115.29 110.54 1fe8 s HIS 189 Ca 0.23 -1.10 -0.05 0.00 -0.15 0.00 0.00 55.06 53.99 1fe8 s HIS 189 Cb 0.12 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.45 1fe8 s HIS 189 CO 0.17 -0.66 -0.12 -1.71 -0.85 0.00 0.00 174.74 171.56 1fe8 n ASN 190 N -0.21 0.81 -4.75 1.40 4.05 -1.26 -4.72 115.26 110.58 1fe8 n ASN 190 Ca -0.03 0.13 -0.37 0.00 0.45 0.00 0.00 54.58 54.76 1fe8 n ASN 190 Cb 0.64 -0.32 -0.07 0.00 1.23 0.00 0.00 39.78 41.26 1fe8 n ASN 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1fe8 s SER 191 N -5.88 6.51 -0.15 1.20 1.04 -1.26 0.22 113.70 115.38 1fe8 s SER 191 Ca -0.13 0.60 0.01 0.00 0.48 0.00 0.00 55.95 56.91 1fe8 s SER 191 Cb 0.04 -2.20 0.02 0.00 0.10 0.00 0.00 66.02 63.99 1fe8 s SER 191 CO 0.16 0.12 -0.15 -0.31 0.98 0.00 0.00 173.24 174.05 1fe8 s TYR 192 N 0.25 2.22 0.04 5.02 2.02 -0.66 -0.02 117.35 126.22 1fe8 s TYR 192 Ca 0.19 -1.23 0.08 0.00 -0.37 0.00 0.00 57.07 55.73 1fe8 s TYR 192 Cb -0.14 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 1fe8 s TYR 192 CO 0.06 -0.66 -0.22 0.99 -1.57 0.00 0.00 175.55 174.15 1fe8 s THR 193 N 1.39 1.79 -0.16 -0.71 2.01 0.35 -1.77 115.64 118.54 1fe8 s THR 193 Ca 0.03 -1.24 0.01 0.00 0.31 0.00 0.00 61.69 60.80 1fe8 s THR 193 Cb -0.13 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.85 1fe8 s THR 193 CO -0.10 0.25 -0.19 0.00 -0.69 0.00 0.00 174.62 173.90 1fe8 s GLU 195 N 1.20 3.29 -0.12 0.00 2.02 0.30 -1.33 118.70 124.06 1fe8 s GLU 195 Ca 0.02 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 54.27 1fe8 s GLU 195 Cb -0.14 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 1fe8 s GLU 195 CO -0.09 0.14 -0.10 0.00 0.02 0.00 0.00 175.26 175.22 1fe8 s ALA 196 N 0.53 2.77 -0.13 5.21 0.00 0.03 -0.77 121.76 129.39 1fe8 s ALA 196 Ca -0.10 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1fe8 s ALA 196 Cb -0.16 -1.27 0.02 0.00 0.00 0.00 0.00 23.12 21.71 1fe8 s ALA 196 CO 0.04 0.32 -0.10 0.99 0.00 0.00 0.00 175.76 177.01 1fe8 s THR 197 N 0.07 1.28 0.36 0.00 2.01 -0.54 -0.57 115.64 118.26 1fe8 s THR 197 Ca -0.04 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.54 1fe8 s THR 197 Cb -0.14 -1.26 -0.07 0.00 0.01 0.00 0.00 72.50 71.04 1fe8 s THR 197 CO 0.04 0.39 0.04 -2.28 -0.69 0.00 0.00 174.62 172.13 1fe8 s HIS 198 N 1.60 2.14 0.43 4.92 2.46 -1.26 -1.60 115.29 123.97 1fe8 s HIS 198 Ca 0.05 -0.88 0.11 0.00 0.47 0.00 0.00 55.06 54.81 1fe8 s HIS 198 Cb -0.13 -1.45 0.98 0.00 -0.13 0.00 0.00 32.58 31.85 1fe8 s HIS 198 CO -0.09 0.15 2.03 -0.22 -2.47 0.00 0.00 174.74 174.13 1fe8 h LYS 199 N 1.96 0.42 -0.00 2.88 3.64 -1.93 -0.82 116.57 122.72 1fe8 h LYS 199 Ca -0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1fe8 h LYS 199 Cb 1.25 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1fe8 h LYS 199 CO 0.73 0.28 -0.03 0.25 -2.27 0.00 0.00 179.45 178.41 1fe8 n THR 200 N -4.48 0.00 -2.89 1.00 -2.24 -1.26 -4.89 114.28 99.52 1fe8 n THR 200 Ca 0.06 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 1fe8 n THR 200 Cb 0.22 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 1fe8 n THR 200 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1fe8 s SER 201 N -2.29 7.10 0.06 3.42 0.01 -0.31 -4.91 113.70 116.78 1fe8 s SER 201 Ca 0.37 1.33 0.23 0.00 1.31 0.00 0.00 55.95 59.19 1fe8 s SER 201 Cb 0.21 -2.48 0.06 0.00 0.21 0.00 0.00 66.02 64.03 1fe8 s SER 201 CO 0.42 -0.25 1.04 0.35 0.41 0.00 0.00 173.24 175.21 1fe8 n THR 202 N 4.11 0.21 -3.58 1.44 -2.24 -1.26 -4.87 114.28 108.09 1fe8 n THR 202 Ca 0.03 -0.27 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 1fe8 n THR 202 Cb 0.50 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1fe8 n THR 202 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1fe8 s SER 203 N -4.07 -0.54 0.48 3.42 1.04 -1.26 -5.16 113.70 107.61 1fe8 s SER 203 Ca 0.03 0.74 -0.24 0.00 0.48 0.00 0.00 55.95 56.97 1fe8 s SER 203 Cb 0.14 0.65 -0.08 0.00 0.10 0.00 0.00 66.02 66.84 1fe8 s SER 203 CO 0.80 -0.39 1.30 -0.81 0.98 0.00 0.00 173.24 175.12 1fe8 n PRO 204 N 1.33 1.84 -2.91 4.02 -0.04 -1.26 -4.96 135.00 133.02 1fe8 n PRO 204 Ca -0.14 0.66 -0.42 0.00 -0.04 0.00 0.00 63.50 63.57 1fe8 n PRO 204 Cb 0.57 -2.47 -0.04 0.00 -0.04 0.00 0.00 33.50 31.52 1fe8 n PRO 204 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1fe8 s ILE 205 N -1.25 4.85 -0.10 0.52 1.01 0.27 -4.87 121.20 121.63 1fe8 s ILE 205 Ca 0.65 1.50 0.01 0.00 0.00 0.00 0.00 60.65 62.81 1fe8 s ILE 205 Cb -0.46 -4.10 -0.02 0.00 0.01 0.00 0.00 42.46 37.88 1fe8 s ILE 205 CO 0.55 -0.08 -0.13 0.68 0.00 0.00 0.00 174.94 175.96 1fe8 s VAL 206 N 2.82 3.11 -0.05 2.92 -7.23 -1.26 -0.79 120.40 119.91 1fe8 s VAL 206 Ca 0.34 -0.67 0.02 0.00 -1.81 0.00 0.00 61.98 59.87 1fe8 s VAL 206 Cb -0.15 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.53 1fe8 s VAL 206 CO 0.08 0.55 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.76 1fe8 s LYS 207 N -0.11 1.48 0.25 4.82 -0.14 -0.44 -4.99 119.74 120.61 1fe8 s LYS 207 Ca -0.01 -0.39 -0.11 0.00 -1.36 0.00 0.00 55.97 54.10 1fe8 s LYS 207 Cb -0.14 -1.27 -0.01 0.00 -1.68 0.00 0.00 37.83 34.74 1fe8 s LYS 207 CO 0.03 0.06 0.45 -1.54 -0.76 0.00 0.00 175.35 173.60 1fe8 s SER 208 N 0.51 0.01 0.09 2.83 1.04 -1.26 -0.02 113.70 116.90 1fe8 s SER 208 Ca -0.11 -1.02 -0.15 0.00 0.48 0.00 0.00 55.95 55.15 1fe8 s SER 208 Cb -0.14 0.58 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1fe8 s SER 208 CO 0.03 -1.13 0.37 0.72 0.98 0.00 0.00 173.24 174.20 1fe8 s PHE 209 N -3.93 -0.17 -0.11 5.02 -0.12 -0.73 -5.01 117.98 112.94 1fe8 s PHE 209 Ca 0.25 -0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 57.05 1fe8 s PHE 209 Cb 0.00 0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 1fe8 s PHE 209 CO 0.10 -0.62 -0.07 -0.80 -0.05 0.00 0.00 175.22 173.78 1fe8 s ASN 210 N -2.51 4.57 0.00 1.98 0.01 -1.26 -1.65 114.94 116.08 1fe8 s ASN 210 Ca 0.00 -0.12 0.24 0.00 -0.71 0.00 0.00 52.86 52.27 1fe8 s ASN 210 Cb 0.01 -1.47 1.42 0.00 0.41 0.00 0.00 41.25 41.62 1fe8 s ASN 210 CO -0.08 0.25 1.79 -1.14 -1.51 0.00 0.00 177.10 176.41