#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 3.62 -0.16 0.53 1.01 -1.26 -4.97 121.20 119.97 1fe8 s ILE 2 Ca 0.00 0.82 -0.24 0.00 0.00 0.00 0.00 60.65 61.24 1fe8 s ILE 2 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 1fe8 s ILE 2 CO 0.00 -0.06 0.75 0.00 0.00 0.00 0.00 174.94 175.63 1fe8 s ALA 3 N 3.66 3.49 -0.31 9.38 0.00 -1.26 -4.71 121.76 132.01 1fe8 s ALA 3 Ca 0.70 -0.04 -0.06 0.00 0.00 0.00 0.00 51.96 52.56 1fe8 s ALA 3 Cb -0.32 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1fe8 s ALA 3 CO 0.28 -0.53 0.08 -1.64 0.00 0.00 0.00 175.76 173.95 1fe8 s MET 4 N 1.84 2.86 -0.09 0.00 -1.94 -1.26 -0.77 119.30 119.94 1fe8 s MET 4 Ca 0.35 -1.01 0.02 0.00 -1.71 0.00 0.00 55.69 53.34 1fe8 s MET 4 Cb -0.17 -3.37 -0.02 0.00 2.01 0.00 0.00 34.83 33.28 1fe8 s MET 4 CO 0.13 -0.53 -0.14 0.95 -0.01 0.00 0.00 175.02 175.41 1fe8 s THR 5 N 1.44 3.03 -0.49 2.05 -4.23 -0.34 -4.09 115.64 113.01 1fe8 s THR 5 Ca 0.00 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 59.80 1fe8 s THR 5 Cb -0.18 -2.23 0.13 0.00 1.34 0.00 0.00 72.50 71.56 1fe8 s THR 5 CO 0.02 0.55 0.27 -1.10 -0.54 0.00 0.00 174.62 173.83 1fe8 s GLN 6 N -0.12 2.13 0.60 3.99 -0.21 -1.26 -1.70 119.66 123.08 1fe8 s GLN 6 Ca -0.01 -2.15 0.29 0.00 0.02 0.00 0.00 55.36 53.50 1fe8 s GLN 6 Cb -0.14 -3.56 1.57 0.00 1.00 0.00 0.00 33.01 31.88 1fe8 s GLN 6 CO 0.03 -1.10 1.97 1.79 -2.12 0.00 0.00 175.29 175.87 1fe8 h THR 7 N 5.93 0.34 -3.63 -0.19 1.35 -1.96 -3.37 112.91 111.39 1fe8 h THR 7 Ca -0.08 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.09 1fe8 h THR 7 Cb 0.99 0.70 -0.26 0.00 -1.73 0.00 0.00 68.15 67.85 1fe8 h THR 7 CO 0.68 0.00 -0.58 -0.89 -0.25 0.00 0.00 175.52 174.48 1fe8 s THR 8 N -4.54 4.12 -0.23 6.82 2.01 -1.26 -4.95 115.64 117.61 1fe8 s THR 8 Ca -0.04 -0.88 0.20 0.00 0.31 0.00 0.00 61.69 61.28 1fe8 s THR 8 Cb 0.14 -3.25 0.03 0.00 0.01 0.00 0.00 72.50 69.43 1fe8 s THR 8 CO 0.51 -0.11 1.12 0.77 -0.69 0.00 0.00 174.62 176.22 1fe8 h SER 9 N 8.30 0.00 -4.94 3.53 4.64 -1.75 -3.38 113.55 119.94 1fe8 h SER 9 Ca -0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.91 1fe8 h SER 9 Cb 1.10 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.99 1fe8 h SER 9 CO 0.62 0.19 -0.43 -0.94 -0.87 0.00 0.00 176.83 175.40 1fe8 s SER 10 N -5.70 -0.04 -0.04 4.97 1.04 -1.26 -0.21 113.70 112.46 1fe8 s SER 10 Ca 0.01 -0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.29 1fe8 s SER 10 Cb 0.08 0.24 0.02 0.00 0.10 0.00 0.00 66.02 66.46 1fe8 s SER 10 CO 0.77 -0.38 0.10 -0.22 0.98 0.00 0.00 173.24 174.49 1fe8 s LEU 11 N -1.32 1.44 -0.19 2.42 2.96 0.39 -4.87 118.68 119.51 1fe8 s LEU 11 Ca -0.14 0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1fe8 s LEU 11 Cb -0.07 0.31 -0.00 0.00 0.50 0.00 0.00 46.19 46.93 1fe8 s LEU 11 CO 0.02 -0.06 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.35 1fe8 s SER 12 N 0.31 3.98 0.09 3.68 0.15 -1.26 -0.57 113.70 120.07 1fe8 s SER 12 Ca -0.02 -0.43 -0.04 0.00 0.70 0.00 0.00 55.95 56.16 1fe8 s SER 12 Cb -0.03 -1.65 -0.03 0.00 -1.71 0.00 0.00 66.02 62.60 1fe8 s SER 12 CO -0.01 0.03 0.08 0.00 1.20 0.00 0.00 173.24 174.54 1fe8 s ALA 13 N 1.17 0.31 0.10 5.45 0.00 -0.51 -4.94 121.76 123.35 1fe8 s ALA 13 Ca 0.02 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 1fe8 s ALA 13 Cb -0.14 0.49 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 1fe8 s ALA 13 CO -0.03 -0.46 0.29 -1.12 0.00 0.00 0.00 175.76 174.44 1fe8 s SER 14 N -2.93 6.42 0.39 0.00 0.01 -1.26 -1.27 113.70 115.06 1fe8 s SER 14 Ca 0.10 0.43 -0.27 0.00 1.31 0.00 0.00 55.95 57.52 1fe8 s SER 14 Cb 0.07 -2.02 -0.11 0.00 0.21 0.00 0.00 66.02 64.16 1fe8 s SER 14 CO -0.07 0.11 1.32 0.18 0.41 0.00 0.00 173.24 175.18 1fe8 n LEU 15 N 0.17 4.01 0.00 2.44 4.77 -1.26 -1.47 117.00 125.67 1fe8 n LEU 15 Ca -0.04 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 1fe8 n LEU 15 Cb 0.51 -1.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1fe8 n LEU 15 CO 0.50 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 1fe8 n GLY 16 N 0.73 3.16 3.75 -0.72 0.00 0.17 -4.83 105.19 107.46 1fe8 n GLY 16 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.43 2.80 -0.18 1.61 -0.21 -0.54 -3.22 119.66 119.50 1fe8 s GLN 17 Ca 0.00 1.67 -0.20 0.00 0.02 0.00 0.00 55.36 56.85 1fe8 s GLN 17 Cb 0.00 -1.93 -0.03 0.00 1.00 0.00 0.00 33.01 32.05 1fe8 s GLN 17 CO 0.00 -1.30 0.57 0.21 -2.12 0.00 0.00 175.29 172.65 1fe8 s LYS 18 N -3.64 4.23 -0.04 2.91 2.20 -1.26 0.63 119.74 124.77 1fe8 s LYS 18 Ca 0.73 0.54 0.05 0.00 -0.36 0.00 0.00 55.97 56.93 1fe8 s LYS 18 Cb -0.27 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.48 1fe8 s LYS 18 CO 0.37 -0.14 -0.18 0.08 -0.36 0.00 0.00 175.35 175.12 1fe8 s VAL 19 N 1.59 2.76 -0.10 4.02 1.01 0.19 -4.96 120.40 124.90 1fe8 s VAL 19 Ca 0.27 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.44 1fe8 s VAL 19 Cb -0.16 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1fe8 s VAL 19 CO 0.11 0.59 -0.19 -0.89 0.00 0.00 0.00 175.10 174.71 1fe8 s THR 20 N -0.70 1.70 -0.15 3.92 2.01 -1.26 -0.28 115.64 120.88 1fe8 s THR 20 Ca 0.11 -0.79 0.01 0.00 0.31 0.00 0.00 61.69 61.33 1fe8 s THR 20 Cb -0.10 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 70.91 1fe8 s THR 20 CO 0.00 0.48 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.59 1fe8 s ILE 21 N 0.64 2.30 0.30 1.82 1.01 0.24 -4.97 121.20 122.55 1fe8 s ILE 21 Ca -0.13 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.70 1fe8 s ILE 21 Cb -0.16 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1fe8 s ILE 21 CO 0.04 0.53 0.27 -0.94 0.00 0.00 0.00 174.94 174.84 1fe8 s SER 22 N 0.90 5.43 -0.24 3.58 1.04 -1.26 0.04 113.70 123.18 1fe8 s SER 22 Ca -0.05 -0.38 -0.14 0.00 0.48 0.00 0.00 55.95 55.87 1fe8 s SER 22 Cb -0.15 -1.16 0.07 0.00 0.10 0.00 0.00 66.02 64.88 1fe8 s SER 22 CO -0.03 -0.23 0.58 0.00 0.98 0.00 0.00 173.24 174.54 1fe8 s ARG 24 N 1.46 1.72 -0.08 0.00 3.52 -0.69 -0.25 118.95 124.63 1fe8 s ARG 24 Ca -0.09 -0.70 -0.08 0.00 -0.13 0.00 0.00 55.73 54.73 1fe8 s ARG 24 Cb -0.06 -1.60 -0.04 0.00 -1.56 0.00 0.00 34.95 31.68 1fe8 s ARG 24 CO -0.16 0.38 0.20 0.00 -0.81 0.00 0.00 175.30 174.91 1fe8 s ALA 25 N -0.32 3.85 -0.03 6.12 0.00 -0.47 -1.20 121.76 129.70 1fe8 s ALA 25 Ca 0.04 -0.57 0.29 0.00 0.00 0.00 0.00 51.96 51.72 1fe8 s ALA 25 Cb -0.09 -2.05 1.44 0.00 0.00 0.00 0.00 23.12 22.42 1fe8 s ALA 25 CO 0.00 0.60 1.88 0.66 0.00 0.00 0.00 175.76 178.90 1fe8 h SER 26 N 4.79 0.00 -5.09 0.00 4.64 -1.29 -3.43 113.55 113.16 1fe8 h SER 26 Ca -0.54 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.72 1fe8 h SER 26 Cb 1.22 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.18 1fe8 h SER 26 CO 0.60 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 176.39 1fe8 s GLN 27 N -3.64 0.98 0.14 4.77 -2.07 -1.26 -4.99 119.66 113.59 1fe8 s GLN 27 Ca -0.01 -0.74 -0.31 0.00 -1.82 0.00 0.00 55.36 52.48 1fe8 s GLN 27 Cb 0.09 0.42 -0.11 0.00 -1.09 0.00 0.00 33.01 32.33 1fe8 s GLN 27 CO 0.34 -0.36 1.82 0.34 -1.32 0.00 0.00 175.29 176.11 1fe8 s ASP 28 N -2.73 6.41 -0.11 12.60 -1.08 -1.26 -4.87 116.67 125.63 1fe8 s ASP 28 Ca 0.02 2.79 0.15 0.00 -0.52 0.00 0.00 52.55 54.99 1fe8 s ASP 28 Cb 0.02 -2.57 0.30 0.00 -1.46 0.00 0.00 42.92 39.21 1fe8 s ASP 28 CO -0.11 -1.00 1.19 2.30 0.52 0.00 0.00 175.17 178.07 1fe8 n ILE 29 N 4.63 1.79 -4.78 4.11 -5.35 -1.26 -5.10 119.36 113.40 1fe8 n ILE 29 Ca 0.18 -1.93 0.00 0.00 -0.27 0.00 0.00 62.75 60.72 1fe8 n ILE 29 Cb 0.38 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 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 -1.00 1.13 0.20 3.28 0.00 -1.26 -2.72 105.19 104.82 1fe8 n GLY 30 Ca 0.14 -0.59 0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.84 0.64 -3.79 1.61 3.02 -1.26 -4.64 115.26 108.01 1fe8 n ASN 31 Ca 0.00 -1.14 -0.42 0.00 -0.03 0.00 0.00 54.58 52.99 1fe8 n ASN 31 Cb 0.00 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.54 3.35 -3.94 3.10 4.02 -1.10 -2.35 117.16 119.70 1fe8 n TYR 32 Ca 0.21 -2.76 -0.26 0.00 -0.01 0.00 0.00 57.90 55.08 1fe8 n TYR 32 Cb 0.23 -2.43 -0.17 0.00 -0.02 0.00 0.00 39.34 36.95 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 2.32 1.12 0.16 7.72 1.98 -1.26 -1.17 118.68 129.56 1fe8 s LEU 33 Ca 0.50 -0.26 0.07 0.00 -2.89 0.00 0.00 54.13 51.55 1fe8 s LEU 33 Cb 0.13 -0.76 -0.04 0.00 0.66 0.00 0.00 46.19 46.18 1fe8 s LEU 33 CO -0.04 -0.12 -0.03 0.20 -1.89 0.00 0.00 176.35 174.47 1fe8 s ASN 34 N 1.65 4.65 -0.02 3.68 0.01 -0.53 -0.71 114.94 123.67 1fe8 s ASN 34 Ca 0.03 -0.41 0.07 0.00 -0.71 0.00 0.00 52.86 51.84 1fe8 s ASN 34 Cb -0.13 -0.95 -0.02 0.00 0.41 0.00 0.00 41.25 40.56 1fe8 s ASN 34 CO -0.07 0.11 -0.25 0.26 -1.51 0.00 0.00 177.10 175.64 1fe8 s TRP 35 N -1.64 2.26 0.19 2.20 0.52 0.80 -1.15 118.94 122.13 1fe8 s TRP 35 Ca 0.26 -0.47 0.08 0.00 0.02 0.00 0.00 56.10 55.99 1fe8 s TRP 35 Cb -0.10 -1.46 -0.04 0.00 -1.15 0.00 0.00 33.47 30.72 1fe8 s TRP 35 CO 0.17 -0.07 -0.15 0.71 0.02 0.00 0.00 176.95 177.64 1fe8 s TYR 36 N -0.52 1.70 -0.08 -1.98 1.51 0.20 -0.67 117.35 117.52 1fe8 s TYR 36 Ca 0.08 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.62 1fe8 s TYR 36 Cb -0.10 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 1fe8 s TYR 36 CO -0.00 0.33 -0.19 -1.14 -1.11 0.00 0.00 175.55 173.44 1fe8 s GLN 37 N -3.40 2.38 -0.27 -0.62 0.74 -0.32 -2.16 119.66 116.01 1fe8 s GLN 37 Ca 0.20 -0.68 0.01 0.00 0.05 0.00 0.00 55.36 54.94 1fe8 s GLN 37 Cb -0.02 -1.88 0.05 0.00 1.10 0.00 0.00 33.01 32.26 1fe8 s GLN 37 CO 0.06 0.14 -0.08 -1.14 -0.55 0.00 0.00 175.29 173.73 1fe8 s GLN 38 N 0.40 2.40 0.73 1.67 0.74 0.20 -1.21 119.66 124.59 1fe8 s GLN 38 Ca -0.15 -1.26 -0.11 0.00 0.05 0.00 0.00 55.36 53.89 1fe8 s GLN 38 Cb -0.16 -2.98 0.03 0.00 1.10 0.00 0.00 33.01 31.00 1fe8 s GLN 38 CO 0.06 -0.55 1.08 0.15 -0.55 0.00 0.00 175.29 175.48 1fe8 s LYS 39 N 1.18 2.60 0.47 1.67 -0.14 -0.60 -1.41 119.74 123.52 1fe8 s LYS 39 Ca -0.06 1.09 0.27 0.00 -1.36 0.00 0.00 55.97 55.90 1fe8 s LYS 39 Cb -0.19 -1.94 1.32 0.00 -1.68 0.00 0.00 37.83 35.33 1fe8 s LYS 39 CO -0.04 -1.37 1.82 -1.35 -0.76 0.00 0.00 175.35 173.65 1fe8 h PRO 40 N -0.85 0.19 0.00 -1.68 0.11 -1.91 0.67 132.00 128.53 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 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1fe8 h PRO 40 CO 0.54 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 1fe8 n ASP 41 N -4.40 0.19 0.00 -2.05 5.68 -1.26 -4.90 116.55 109.81 1fe8 n ASP 41 Ca 0.23 0.53 0.00 0.00 -0.50 0.00 0.00 54.79 55.05 1fe8 n ASP 41 Cb 0.98 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 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 0.77 0.70 3.70 6.12 0.00 0.23 -5.07 105.19 111.65 1fe8 n GLY 42 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1fe8 n GLY 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fe8 s THR 43 N -2.02 4.89 -0.12 2.61 -4.23 -1.25 -4.78 115.64 110.72 1fe8 s THR 43 Ca 0.00 1.82 -0.06 0.00 -1.18 0.00 0.00 61.69 62.27 1fe8 s THR 43 Cb 0.00 -4.21 -0.04 0.00 1.34 0.00 0.00 72.50 69.59 1fe8 s THR 43 CO 0.00 0.10 0.10 -0.69 -0.54 0.00 0.00 174.62 173.59 1fe8 s VAL 44 N 1.52 5.12 0.02 2.29 1.01 -1.26 -1.55 120.40 127.54 1fe8 s VAL 44 Ca 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1fe8 s VAL 44 Cb -0.18 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1fe8 s VAL 44 CO 0.19 0.59 0.00 -0.13 0.00 0.00 0.00 175.10 175.75 1fe8 s ARG 45 N -0.75 0.34 -0.05 2.72 0.52 -0.35 -4.99 118.95 116.39 1fe8 s ARG 45 Ca 0.13 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 1fe8 s ARG 45 Cb -0.12 0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.46 1fe8 s ARG 45 CO 0.03 -0.06 1.01 -1.17 0.02 0.00 0.00 175.30 175.13 1fe8 s LEU 46 N -1.43 4.31 -0.27 2.53 2.96 -1.26 -1.17 118.68 124.35 1fe8 s LEU 46 Ca -0.16 1.62 -0.14 0.00 -0.22 0.00 0.00 54.13 55.24 1fe8 s LEU 46 Cb -0.09 -3.56 -0.13 0.00 0.50 0.00 0.00 46.19 42.90 1fe8 s LEU 46 CO -0.00 -0.37 -0.27 0.18 -1.32 0.00 0.00 176.35 174.56 1fe8 n LEU 47 N 4.46 2.02 -3.86 -0.68 4.77 0.15 -4.68 117.00 119.20 1fe8 n LEU 47 Ca 0.08 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.25 1fe8 n LEU 47 Cb 0.50 -0.85 -0.14 0.00 -2.33 0.00 0.00 43.42 40.60 1fe8 n LEU 47 CO 0.52 0.57 -0.35 -0.63 -1.33 0.00 0.00 177.39 176.17 1fe8 s ILE 48 N -2.49 -0.01 0.17 -0.08 1.01 -1.08 -1.46 121.20 117.26 1fe8 s ILE 48 Ca -0.37 0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.37 1fe8 s ILE 48 Cb 0.13 -0.03 -0.04 0.00 0.01 0.00 0.00 42.46 42.54 1fe8 s ILE 48 CO 0.51 0.01 -0.14 -0.72 0.00 0.00 0.00 174.94 174.61 1fe8 s TYR 49 N 0.14 1.56 -1.31 3.97 -0.85 -0.18 -0.14 117.35 120.55 1fe8 s TYR 49 Ca -0.01 -0.59 -0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1fe8 s TYR 49 Cb -0.02 -0.76 0.01 0.00 0.38 0.00 0.00 41.96 41.57 1fe8 s TYR 49 CO -0.00 0.25 0.83 0.98 -1.52 0.00 0.00 175.55 176.09 1fe8 n TYR 50 N -0.07 -2.08 0.00 -3.49 9.36 -1.19 -1.50 117.16 118.20 1fe8 n TYR 50 Ca -0.11 0.88 0.00 0.00 3.32 0.00 0.00 57.90 62.00 1fe8 n TYR 50 Cb 0.59 -4.56 0.00 0.00 -0.63 0.00 0.00 39.34 34.74 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 -4.32 0.00 -1.10 2.97 -1.04 0.11 -4.02 114.28 106.88 1fe8 n THR 51 Ca -0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1fe8 n THR 51 Cb 0.65 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.16 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 0.99 0.00 -4.68 8.00 3.41 -1.22 -3.39 113.62 116.74 1fe8 n SER 52 Ca 0.00 -1.00 -0.39 0.00 -0.26 0.00 0.00 58.87 57.22 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 0.00 4.24 0.34 4.33 0.52 -0.56 -4.54 118.95 123.28 1fe8 s ARG 53 Ca 0.00 0.51 -0.27 0.00 -0.52 0.00 0.00 55.73 55.45 1fe8 s ARG 53 Cb 0.00 -3.54 -0.09 0.00 0.52 0.00 0.00 34.95 31.84 1fe8 s ARG 53 CO 0.00 -0.10 1.05 -0.51 0.02 0.00 0.00 175.30 175.76 1fe8 s LEU 54 N 1.47 4.35 0.40 2.53 1.43 -1.26 -1.01 118.68 126.59 1fe8 s LEU 54 Ca 0.27 2.11 -0.23 0.00 -1.03 0.00 0.00 54.13 55.25 1fe8 s LEU 54 Cb -0.16 -3.92 -0.11 0.00 0.03 0.00 0.00 46.19 42.04 1fe8 s LEU 54 CO 0.10 -0.28 0.95 -2.28 0.23 0.00 0.00 176.35 175.07 1fe8 s HIS 55 N -1.43 3.41 0.21 0.29 5.65 -0.53 -4.89 115.29 118.00 1fe8 s HIS 55 Ca 0.51 1.66 -0.31 0.00 0.25 0.00 0.00 55.06 57.17 1fe8 s HIS 55 Cb -0.26 -2.89 -0.15 0.00 -1.18 0.00 0.00 32.58 28.10 1fe8 s HIS 55 CO 0.33 -0.06 1.15 -1.13 -0.65 0.00 0.00 174.74 174.38 1fe8 n SER 56 N -0.28 1.50 0.00 9.88 3.41 -1.26 -1.69 113.62 125.18 1fe8 n SER 56 Ca 0.06 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 1fe8 n SER 56 Cb 0.53 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 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 1.82 1.29 3.69 5.00 0.00 -1.26 -5.03 105.19 110.69 1fe8 n GLY 57 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.94 5.00 0.60 1.61 1.01 -0.68 -5.04 120.40 119.96 1fe8 s VAL 58 Ca 0.00 1.38 -0.19 0.00 0.00 0.00 0.00 61.98 63.17 1fe8 s VAL 58 Cb 0.00 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 1fe8 s VAL 58 CO 0.00 0.15 1.26 -2.16 0.00 0.00 0.00 175.10 174.35 1fe8 s PRO 59 N 1.50 2.90 0.00 2.72 0.04 -1.26 -4.88 135.00 136.01 1fe8 s PRO 59 Ca 0.34 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.40 1fe8 s PRO 59 Cb -0.17 -1.98 0.23 0.00 0.04 0.00 0.00 34.50 32.63 1fe8 s PRO 59 CO 0.14 -1.30 1.08 -1.13 0.04 0.00 0.00 177.00 175.82 1fe8 n SER 60 N -1.55 0.00 0.13 6.66 3.41 -1.26 -1.93 113.62 119.09 1fe8 n SER 60 Ca 0.14 0.35 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 1fe8 n SER 60 Cb 0.48 -0.39 0.48 0.00 -0.26 0.00 0.00 64.21 64.53 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 -1.39 0.22 -3.64 4.33 1.85 -1.26 -4.60 116.66 112.17 1fe8 n ARG 61 Ca 0.02 0.39 -0.37 0.00 -1.00 0.00 0.00 57.85 56.89 1fe8 n ARG 61 Cb 0.05 -1.88 -0.06 0.00 -1.05 0.00 0.00 32.46 29.51 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 -3.29 3.59 0.00 2.89 0.40 -0.81 -1.52 117.98 119.23 1fe8 s PHE 62 Ca 0.05 0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 56.92 1fe8 s PHE 62 Cb 0.10 -2.19 0.02 0.00 0.51 0.00 0.00 43.02 41.46 1fe8 s PHE 62 CO 0.44 0.53 0.32 -1.54 0.70 0.00 0.00 175.22 175.67 1fe8 s SER 63 N -0.49 -0.19 0.10 1.36 1.04 -0.58 -4.98 113.70 109.96 1fe8 s SER 63 Ca 0.18 0.04 0.09 0.00 0.48 0.00 0.00 55.95 56.73 1fe8 s SER 63 Cb -0.14 0.33 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 1fe8 s SER 63 CO 0.07 -0.50 -0.22 -0.83 0.98 0.00 0.00 173.24 172.74 1fe8 s GLY 64 N -1.52 1.28 0.06 7.32 0.00 -1.26 -0.52 107.32 112.68 1fe8 s GLY 64 Ca -0.11 -1.26 -0.04 0.00 0.00 0.00 0.00 44.72 43.31 1fe8 s GLY 64 CO 0.02 -1.25 0.05 -0.45 0.00 0.00 0.00 173.10 171.48 1fe8 s SER 65 N -1.83 0.33 -0.07 1.64 0.15 -0.49 -4.35 113.70 109.08 1fe8 s SER 65 Ca 0.08 -0.83 -0.10 0.00 0.70 0.00 0.00 55.95 55.80 1fe8 s SER 65 Cb -0.10 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.48 1fe8 s SER 65 CO 0.04 -0.63 0.26 -0.83 1.20 0.00 0.00 173.24 173.28 1fe8 s GLY 66 N -2.79 -0.16 -0.23 9.45 0.00 -1.26 -1.58 107.32 110.75 1fe8 s GLY 66 Ca 0.05 0.54 -0.03 0.00 0.00 0.00 0.00 44.72 45.28 1fe8 s GLY 66 CO -0.10 0.41 0.34 -0.45 0.00 0.00 0.00 173.10 173.31 1fe8 s SER 67 N -0.39 0.48 1.81 1.64 0.15 0.52 -5.00 113.70 112.90 1fe8 s SER 67 Ca -0.05 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1fe8 s SER 67 Cb -0.03 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.24 1fe8 s SER 67 CO 0.01 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1fe8 n GLY 68 N 5.35 3.77 1.49 9.45 0.00 -1.26 -1.07 105.19 122.93 1fe8 n GLY 68 Ca -0.04 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.05 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 1.86 -4.61 2.61 -2.24 -1.26 -4.80 114.28 105.84 1fe8 n THR 69 Ca 0.00 -1.25 -0.34 0.00 -2.27 0.00 0.00 64.05 60.19 1fe8 n THR 69 Cb 0.00 0.11 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 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 -0.99 4.64 0.07 3.42 1.01 -0.23 -1.37 116.67 123.22 1fe8 s ASP 70 Ca 0.49 -0.04 0.02 0.00 0.71 0.00 0.00 52.55 53.73 1fe8 s ASP 70 Cb 0.32 -1.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.00 1fe8 s ASP 70 CO 0.23 0.34 -0.07 -0.31 0.21 0.00 0.00 175.17 175.57 1fe8 s TYR 71 N -0.70 0.79 -0.04 4.23 1.51 0.65 -0.36 117.35 123.43 1fe8 s TYR 71 Ca 0.11 -0.70 -0.09 0.00 -1.01 0.00 0.00 57.07 55.38 1fe8 s TYR 71 Cb -0.11 -0.46 0.01 0.00 -0.11 0.00 0.00 41.96 41.29 1fe8 s TYR 71 CO 0.02 -0.11 0.20 -1.54 -1.11 0.00 0.00 175.55 173.01 1fe8 s SER 72 N -2.29 -0.13 -0.20 2.29 1.04 -0.62 -0.95 113.70 112.85 1fe8 s SER 72 Ca 0.01 0.15 -0.02 0.00 0.48 0.00 0.00 55.95 56.57 1fe8 s SER 72 Cb -0.03 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.43 1fe8 s SER 72 CO -0.02 -0.24 -0.09 -0.22 0.98 0.00 0.00 173.24 173.64 1fe8 s LEU 73 N -0.66 2.67 -0.06 2.42 2.96 0.11 -1.40 118.68 124.73 1fe8 s LEU 73 Ca -0.07 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 1fe8 s LEU 73 Cb -0.04 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1fe8 s LEU 73 CO 0.01 0.01 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.07 1fe8 s THR 74 N 1.30 3.49 -0.26 3.68 2.01 0.32 -0.59 115.64 125.59 1fe8 s THR 74 Ca 0.04 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1fe8 s THR 74 Cb -0.14 -2.41 0.07 0.00 0.01 0.00 0.00 72.50 70.03 1fe8 s THR 74 CO -0.05 0.59 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.81 1fe8 s ILE 75 N -0.79 1.67 0.31 1.82 1.01 0.62 -1.52 121.20 124.32 1fe8 s ILE 75 Ca 0.12 -1.46 -0.16 0.00 0.00 0.00 0.00 60.65 59.14 1fe8 s ILE 75 Cb -0.11 -1.99 -0.09 0.00 0.01 0.00 0.00 42.46 40.29 1fe8 s ILE 75 CO 0.01 -0.22 0.75 -0.94 0.00 0.00 0.00 174.94 174.55 1fe8 s SER 76 N 1.30 6.85 -0.47 3.58 1.04 -0.57 0.53 113.70 125.96 1fe8 s SER 76 Ca -0.02 1.34 -0.30 0.00 0.48 0.00 0.00 55.95 57.45 1fe8 s SER 76 Cb -0.19 -2.40 0.04 0.00 0.10 0.00 0.00 66.02 63.58 1fe8 s SER 76 CO -0.08 -0.16 0.65 0.59 0.98 0.00 0.00 173.24 175.21 1fe8 n ASN 77 N -0.14 -6.26 -4.72 7.02 3.02 -1.13 -4.79 115.26 108.26 1fe8 n ASN 77 Ca 0.02 0.01 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 1fe8 n ASN 77 Cb 0.53 -2.86 -0.02 0.00 -0.61 0.00 0.00 39.78 36.82 1fe8 n ASN 77 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1fe8 n LEU 78 N -0.38 4.01 -4.56 3.41 7.94 0.21 -4.57 117.00 123.05 1fe8 n LEU 78 Ca -0.04 1.15 -0.31 0.00 -1.11 0.00 0.00 56.01 55.70 1fe8 n LEU 78 Cb 0.61 -1.55 -0.11 0.00 0.53 0.00 0.00 43.42 42.91 1fe8 n LEU 78 CO 0.54 -0.04 -0.42 -0.70 -1.11 0.00 0.00 177.39 175.67 1fe8 s GLU 79 N -0.55 2.34 0.50 1.96 -6.30 -1.26 0.45 118.70 115.85 1fe8 s GLU 79 Ca 0.65 -0.86 0.20 0.00 -2.50 0.00 0.00 54.97 52.46 1fe8 s GLU 79 Cb -0.54 -2.38 1.26 0.00 0.00 0.00 0.00 34.13 32.47 1fe8 s GLU 79 CO 0.49 0.56 2.01 1.03 0.02 0.00 0.00 175.26 179.38 1fe8 h SER 80 N 4.28 0.11 0.60 -1.70 0.87 -2.00 0.54 113.55 116.26 1fe8 h SER 80 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1fe8 h SER 80 Cb 1.16 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1fe8 h SER 80 CO 0.52 0.07 0.00 -0.62 -0.53 0.00 0.00 176.83 176.27 1fe8 n GLU 81 N -4.43 0.01 0.07 2.24 1.02 -1.26 -2.68 120.64 115.61 1fe8 n GLU 81 Ca 0.08 0.22 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 1fe8 n GLU 81 Cb 0.45 -1.52 0.12 0.00 -0.02 0.00 0.00 31.44 30.48 1fe8 n GLU 81 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1fe8 h ASP 82 N 0.00 0.00 -1.40 1.62 3.32 -0.30 -3.46 116.42 116.20 1fe8 h ASP 82 Ca 0.00 -0.17 -0.65 0.00 0.02 0.00 0.00 57.03 56.23 1fe8 h ASP 82 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1fe8 h ASP 82 CO 0.00 0.09 1.42 -0.38 -1.72 0.00 0.00 179.24 178.64 1fe8 n ILE 83 N -2.25 0.25 -3.55 0.35 2.08 -1.09 -4.79 119.36 110.36 1fe8 n ILE 83 Ca 0.02 -0.30 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1fe8 n ILE 83 Cb 0.47 -1.91 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 1fe8 n ILE 83 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1fe8 n ALA 84 N 10.13 0.00 -2.90 -1.39 0.00 -1.26 -4.41 120.51 120.68 1fe8 n ALA 84 Ca 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 1fe8 n ALA 84 Cb 0.29 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.38 3.48 -0.05 0.00 2.01 -0.50 -0.70 115.64 117.50 1fe8 s THR 85 Ca 0.00 -0.52 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1fe8 s THR 85 Cb 0.00 -2.47 -0.02 0.00 0.01 0.00 0.00 72.50 70.01 1fe8 s THR 85 CO 0.00 0.53 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.99 1fe8 s TYR 86 N 0.06 2.64 -0.01 4.92 1.51 0.14 -0.63 117.35 125.98 1fe8 s TYR 86 Ca -0.03 -0.27 -0.09 0.00 -1.01 0.00 0.00 57.07 55.68 1fe8 s TYR 86 Cb -0.14 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1fe8 s TYR 86 CO 0.04 0.10 0.19 -0.59 -1.11 0.00 0.00 175.55 174.17 1fe8 s PHE 87 N -0.60 -0.03 0.44 2.71 -0.12 -0.92 0.91 117.98 120.36 1fe8 s PHE 87 Ca 0.09 0.01 0.05 0.00 -0.05 0.00 0.00 56.93 57.02 1fe8 s PHE 87 Cb -0.11 -0.00 0.01 0.00 -0.63 0.00 0.00 43.02 42.29 1fe8 s PHE 87 CO 0.01 -0.31 0.61 0.00 -0.05 0.00 0.00 175.22 175.48 1fe8 s GLN 89 N -4.44 0.51 0.06 0.00 -0.44 -0.30 -1.06 119.66 114.00 1fe8 s GLN 89 Ca 0.52 1.05 -0.30 0.00 -2.50 0.00 0.00 55.36 54.13 1fe8 s GLN 89 Cb -0.10 0.19 -0.05 0.00 -1.64 0.00 0.00 33.01 31.41 1fe8 s GLN 89 CO 0.35 -0.18 1.05 1.21 0.50 0.00 0.00 175.29 178.22 1fe8 s ASN 90 N 1.85 7.30 -0.09 6.67 2.47 -0.28 -1.46 114.94 131.41 1fe8 s ASN 90 Ca -0.08 1.85 0.16 0.00 0.42 0.00 0.00 52.86 55.20 1fe8 s ASN 90 Cb -0.08 -2.58 0.33 0.00 -1.45 0.00 0.00 41.25 37.47 1fe8 s ASN 90 CO -0.16 -0.27 1.15 0.61 -3.72 0.00 0.00 177.10 174.71 1fe8 n GLY 91 N 2.73 2.84 0.09 1.21 0.00 -0.31 -3.52 105.19 108.22 1fe8 n GLY 91 Ca 0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 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 0.67 0.16 -3.35 -0.02 0.00 -1.81 -3.47 103.07 95.25 1fe8 h GLY 92 Ca -0.08 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1fe8 h GLY 92 CO 0.04 0.36 0.04 -0.51 0.00 0.00 0.00 176.54 176.46 1fe8 s THR 93 N -2.65 0.04 0.32 4.70 -4.23 -1.26 -5.09 115.64 107.47 1fe8 s THR 93 Ca -0.05 -0.29 -0.18 0.00 -1.18 0.00 0.00 61.69 59.99 1fe8 s THR 93 Cb 0.08 -1.03 -0.09 0.00 1.34 0.00 0.00 72.50 72.79 1fe8 s THR 93 CO 0.84 -0.16 0.79 0.20 -0.54 0.00 0.00 174.62 175.75 1fe8 s ASN 94 N -2.37 6.91 0.23 3.99 0.01 -1.26 -3.79 114.94 118.66 1fe8 s ASN 94 Ca -0.02 1.42 -0.22 0.00 -0.71 0.00 0.00 52.86 53.34 1fe8 s ASN 94 Cb -0.00 -2.43 -0.08 0.00 0.41 0.00 0.00 41.25 39.15 1fe8 s ASN 94 CO -0.07 -0.17 0.77 -2.16 -1.51 0.00 0.00 177.10 173.97 1fe8 s PRO 95 N -2.72 4.38 0.43 -0.60 0.04 -1.26 -5.04 135.00 130.24 1fe8 s PRO 95 Ca 0.53 1.01 -0.25 0.00 0.04 0.00 0.00 61.00 62.33 1fe8 s PRO 95 Cb -0.12 -2.95 -0.08 0.00 0.04 0.00 0.00 34.50 31.39 1fe8 s PRO 95 CO 0.18 0.41 1.31 -1.58 0.04 0.00 0.00 177.00 177.36 1fe8 s TRP 96 N -1.46 2.71 0.09 0.56 0.51 -1.25 -4.72 118.94 115.38 1fe8 s TRP 96 Ca 0.43 1.40 0.06 0.00 -2.12 0.00 0.00 56.10 55.87 1fe8 s TRP 96 Cb -0.18 -3.68 -0.03 0.00 -0.81 0.00 0.00 33.47 28.76 1fe8 s TRP 96 CO 0.23 -2.23 -0.16 0.95 -0.51 0.00 0.00 176.95 175.22 1fe8 s THR 97 N -1.29 1.33 0.25 2.01 -4.23 -1.23 -4.98 115.64 107.49 1fe8 s THR 97 Ca 0.60 -1.43 0.10 0.00 -1.18 0.00 0.00 61.69 59.78 1fe8 s THR 97 Cb -0.38 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.14 1fe8 s THR 97 CO 0.48 -0.20 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.93 1fe8 s PHE 98 N -1.34 2.59 0.53 3.99 0.40 -1.26 -1.12 117.98 121.75 1fe8 s PHE 98 Ca 0.02 -0.25 -0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1fe8 s PHE 98 Cb -0.09 -1.17 -0.04 0.00 0.51 0.00 0.00 43.02 42.22 1fe8 s PHE 98 CO 0.03 0.61 0.87 0.20 0.70 0.00 0.00 175.22 177.64 1fe8 s GLY 99 N -3.42 1.59 0.42 4.36 0.00 -0.22 -4.51 107.32 105.54 1fe8 s GLY 99 Ca 0.29 -0.33 0.28 0.00 0.00 0.00 0.00 44.72 44.97 1fe8 s GLY 99 CO 0.18 -0.12 1.87 -1.33 0.00 0.00 0.00 173.10 173.69 1fe8 h GLY 100 N 0.12 0.00 0.00 0.20 0.00 -1.87 -3.43 103.07 98.09 1fe8 h GLY 100 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1fe8 h GLY 100 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 1fe8 n GLY 101 N -1.19 0.12 2.90 4.60 0.00 -1.26 -5.01 105.19 105.35 1fe8 n GLY 101 Ca -0.02 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.90 1.04 -0.15 2.61 2.01 0.26 -4.32 115.64 114.18 1fe8 s THR 102 Ca 0.00 -0.32 -0.13 0.00 0.31 0.00 0.00 61.69 61.55 1fe8 s THR 102 Cb 0.00 -1.07 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 1fe8 s THR 102 CO 0.00 0.35 0.27 -0.75 -0.69 0.00 0.00 174.62 173.79 1fe8 s LYS 103 N 1.70 4.16 0.05 4.92 2.20 0.71 0.23 119.74 133.71 1fe8 s LYS 103 Ca 0.05 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 55.69 1fe8 s LYS 103 Cb -0.13 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1fe8 s LYS 103 CO -0.08 0.32 0.24 -0.51 -0.36 0.00 0.00 175.35 174.96 1fe8 s LEU 104 N 0.22 4.35 0.07 5.43 1.43 0.12 -0.46 118.68 129.84 1fe8 s LEU 104 Ca 0.16 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.68 1fe8 s LEU 104 Cb -0.13 -2.91 -0.03 0.00 0.03 0.00 0.00 46.19 43.15 1fe8 s LEU 104 CO 0.04 0.18 -0.12 -0.70 0.23 0.00 0.00 176.35 175.98 1fe8 s GLU 105 N -2.31 0.74 0.03 1.70 2.12 0.27 -4.32 118.70 116.92 1fe8 s GLU 105 Ca 0.33 -0.93 -0.14 0.00 0.36 0.00 0.00 54.97 54.59 1fe8 s GLU 105 Cb -0.13 -0.63 -0.06 0.00 0.26 0.00 0.00 34.13 33.58 1fe8 s GLU 105 CO 0.24 0.13 0.42 0.08 -0.54 0.00 0.00 175.26 175.59 1fe8 s VAL 106 N -1.49 5.03 -0.02 3.70 1.01 -1.26 -1.42 120.40 125.95 1fe8 s VAL 106 Ca -0.03 0.76 -0.24 0.00 0.00 0.00 0.00 61.98 62.48 1fe8 s VAL 106 Cb -0.09 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1fe8 s VAL 106 CO 0.01 0.49 0.71 -0.54 0.00 0.00 0.00 175.10 175.78 1fe8 s LYS 107 N -1.32 4.44 0.27 2.72 1.02 -0.40 -4.84 119.74 121.64 1fe8 s LYS 107 Ca 0.27 0.92 0.02 0.00 0.02 0.00 0.00 55.97 57.20 1fe8 s LYS 107 Cb -0.16 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 1fe8 s LYS 107 CO 0.15 0.19 0.08 0.50 -0.92 0.00 0.00 175.35 175.34 1fe8 s ARG 108 N 0.34 1.47 0.51 1.68 3.52 -1.26 -4.84 118.95 120.38 1fe8 s ARG 108 Ca 0.37 -1.80 -0.18 0.00 -0.13 0.00 0.00 55.73 53.99 1fe8 s ARG 108 Cb -0.19 -0.48 -0.07 0.00 -1.56 0.00 0.00 34.95 32.65 1fe8 s ARG 108 CO 0.20 -0.24 1.01 0.00 -0.81 0.00 0.00 175.30 175.45 1fe8 s ALA 109 N -3.59 2.94 0.38 6.12 0.00 -1.26 -4.97 121.76 121.39 1fe8 s ALA 109 Ca 0.36 0.35 -0.28 0.00 0.00 0.00 0.00 51.96 52.40 1fe8 s ALA 109 Cb 0.08 -3.18 -0.11 0.00 0.00 0.00 0.00 23.12 19.91 1fe8 s ALA 109 CO 0.14 -0.33 1.50 -0.51 0.00 0.00 0.00 175.76 176.56 1fe8 s ASP 110 N -2.64 6.31 -0.03 0.00 1.01 -1.26 -4.78 116.67 115.28 1fe8 s ASP 110 Ca 0.62 3.08 0.00 0.00 0.71 0.00 0.00 52.55 56.96 1fe8 s ASP 110 Cb -0.12 -2.67 0.03 0.00 1.01 0.00 0.00 42.92 41.16 1fe8 s ASP 110 CO 0.27 -0.90 0.01 0.00 0.21 0.00 0.00 175.17 174.76 1fe8 s ALA 111 N -1.11 0.26 0.59 5.23 0.00 0.28 -4.91 121.76 122.09 1fe8 s ALA 111 Ca 0.53 0.20 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 1fe8 s ALA 111 Cb -0.47 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.31 1fe8 s ALA 111 CO 0.64 -0.08 1.05 0.00 0.00 0.00 0.00 175.76 177.37 1fe8 s ALA 112 N 1.03 2.79 0.71 0.00 0.00 -1.26 -0.69 121.76 124.33 1fe8 s ALA 112 Ca -0.10 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.09 1fe8 s ALA 112 Cb -0.13 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.79 1fe8 s ALA 112 CO -0.02 -0.75 1.07 -2.14 0.00 0.00 0.00 175.76 173.92 1fe8 s PRO 113 N -4.14 2.82 -0.31 0.00 0.02 -1.26 -4.43 135.00 127.70 1fe8 s PRO 113 Ca 0.62 0.70 -0.04 0.00 0.02 0.00 0.00 61.00 62.31 1fe8 s PRO 113 Cb -0.15 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.41 1fe8 s PRO 113 CO 0.37 -1.12 0.04 0.99 -0.33 0.00 0.00 177.00 176.96 1fe8 s THR 114 N -3.18 3.35 -0.17 0.99 2.01 -0.39 -4.89 115.64 113.36 1fe8 s THR 114 Ca 0.58 -1.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 1fe8 s THR 114 Cb -0.13 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 1fe8 s THR 114 CO 0.54 -0.08 0.14 -0.89 -0.69 0.00 0.00 174.62 173.63 1fe8 s THR 115 N 1.34 5.44 -0.03 -0.82 2.01 -1.25 -1.93 115.64 120.40 1fe8 s THR 115 Ca -0.03 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.19 1fe8 s THR 115 Cb -0.19 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 68.90 1fe8 s THR 115 CO 0.00 0.51 -0.01 -0.94 -0.69 0.00 0.00 174.62 173.49 1fe8 s SER 116 N -0.18 0.56 -0.07 3.53 1.04 -0.82 -4.98 113.70 112.78 1fe8 s SER 116 Ca 0.11 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.47 1fe8 s SER 116 Cb -0.11 -0.29 -0.03 0.00 0.10 0.00 0.00 66.02 65.68 1fe8 s SER 116 CO 0.00 -0.08 0.01 -0.51 0.98 0.00 0.00 173.24 173.64 1fe8 s ILE 117 N 0.96 4.34 -0.17 -1.02 2.07 -1.26 -1.18 121.20 124.94 1fe8 s ILE 117 Ca -0.11 -0.31 -0.00 0.00 -1.41 0.00 0.00 60.65 58.83 1fe8 s ILE 117 Cb -0.14 -2.86 0.04 0.00 0.13 0.00 0.00 42.46 39.64 1fe8 s ILE 117 CO -0.01 0.55 -0.08 -0.36 -1.91 0.00 0.00 174.94 173.13 1fe8 s PHE 118 N -0.94 1.94 0.97 3.50 0.08 0.11 -5.00 117.98 118.64 1fe8 s PHE 118 Ca 0.15 -1.23 -0.12 0.00 0.12 0.00 0.00 56.93 55.85 1fe8 s PHE 118 Cb -0.11 -1.43 0.17 0.00 -0.57 0.00 0.00 43.02 41.08 1fe8 s PHE 118 CO 0.04 -0.65 1.08 -2.14 -0.10 0.00 0.00 175.22 173.46 1fe8 s PRO 119 N 1.55 0.65 0.81 0.24 0.02 -1.26 -1.78 135.00 135.23 1fe8 s PRO 119 Ca 0.01 0.86 -0.13 0.00 0.02 0.00 0.00 61.00 61.76 1fe8 s PRO 119 Cb -0.15 -1.73 0.09 0.00 0.02 0.00 0.00 34.50 32.72 1fe8 s PRO 119 CO -0.08 -2.67 1.19 -2.14 -0.33 0.00 0.00 177.00 172.96 1fe8 s PRO 120 N -4.81 1.63 0.64 5.54 0.02 -1.19 -4.80 135.00 132.03 1fe8 s PRO 120 Ca 0.65 1.69 -0.05 0.00 0.02 0.00 0.00 61.00 63.30 1fe8 s PRO 120 Cb -0.20 -1.78 0.04 0.00 0.02 0.00 0.00 34.50 32.58 1fe8 s PRO 120 CO 0.59 -2.21 0.94 -1.54 -0.33 0.00 0.00 177.00 174.45 1fe8 s SER 121 N -2.30 5.16 0.17 2.53 1.04 -1.26 -4.98 113.70 114.06 1fe8 s SER 121 Ca 0.71 0.48 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 1fe8 s SER 121 Cb -0.27 -1.29 0.04 0.00 0.10 0.00 0.00 66.02 64.60 1fe8 s SER 121 CO 0.51 -1.34 1.50 0.28 0.98 0.00 0.00 173.24 175.17 1fe8 h SER 122 N -0.35 0.83 -0.55 7.02 0.02 -2.00 -2.80 113.55 115.72 1fe8 h SER 122 Ca -0.44 -0.40 0.02 0.00 -0.84 0.00 0.00 61.79 60.12 1fe8 h SER 122 Cb 1.29 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 1fe8 h SER 122 CO 0.59 1.15 0.34 -0.33 -1.14 0.00 0.00 176.83 177.45 1fe8 h GLU 123 N 0.61 0.67 -0.04 3.45 3.07 -1.98 -1.55 114.58 118.81 1fe8 h GLU 123 Ca 0.04 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1fe8 h GLU 123 Cb 1.01 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.77 1fe8 h GLU 123 CO 0.10 0.44 -0.02 0.37 -1.40 0.00 0.00 179.01 178.50 1fe8 h GLN 124 N 0.69 0.08 -0.97 2.33 4.15 -1.87 -3.01 115.11 116.52 1fe8 h GLN 124 Ca 0.21 -0.04 0.15 0.00 0.77 0.00 0.00 58.65 59.74 1fe8 h GLN 124 Cb -0.02 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.58 1fe8 h GLN 124 CO -0.08 0.47 0.61 -0.07 -1.93 0.00 0.00 178.83 177.83 1fe8 h LEU 125 N -0.30 0.80 0.00 -2.39 3.38 -1.42 0.75 115.31 116.12 1fe8 h LEU 125 Ca 0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1fe8 h LEU 125 Cb 0.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1fe8 h LEU 125 CO 0.01 0.39 0.00 0.41 0.09 0.00 0.00 178.44 179.33 1fe8 n THR 126 N -4.63 0.12 0.08 0.22 -1.04 -0.59 -1.81 114.28 106.63 1fe8 n THR 126 Ca 0.19 0.03 0.01 0.00 -2.04 0.00 0.00 64.05 62.25 1fe8 n THR 126 Cb 0.45 -0.82 0.02 0.00 -1.82 0.00 0.00 70.33 68.16 1fe8 n THR 126 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1fe8 n SER 127 N -1.05 1.45 0.00 8.00 7.64 0.26 -5.00 113.62 124.92 1fe8 n SER 127 Ca 0.09 -1.31 0.00 0.00 1.01 0.00 0.00 58.87 58.67 1fe8 n SER 127 Cb 0.06 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 0.06 0.80 3.96 0.23 0.00 -0.75 -5.06 105.19 104.43 1fe8 n GLY 128 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 1.52 -0.24 -0.02 0.00 -1.12 -2.72 107.32 102.75 1fe8 s GLY 129 Ca 0.00 -1.43 -0.03 0.00 0.00 0.00 0.00 44.72 43.26 1fe8 s GLY 129 CO 0.00 -1.38 0.33 0.00 0.00 0.00 0.00 173.10 172.06 1fe8 s ALA 130 N -2.14 -0.83 -0.07 3.20 0.00 -1.00 -3.10 121.76 117.81 1fe8 s ALA 130 Ca 0.41 0.64 0.05 0.00 0.00 0.00 0.00 51.96 53.07 1fe8 s ALA 130 Cb -0.09 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.43 1fe8 s ALA 130 CO 0.30 -1.29 -0.23 -1.12 0.00 0.00 0.00 175.76 173.42 1fe8 s SER 131 N 2.47 2.95 -0.23 0.00 0.01 -1.26 -0.72 113.70 116.92 1fe8 s SER 131 Ca 0.11 -0.51 -0.05 0.00 1.31 0.00 0.00 55.95 56.81 1fe8 s SER 131 Cb -0.15 -1.04 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 1fe8 s SER 131 CO -0.16 0.20 -0.01 -0.69 0.41 0.00 0.00 173.24 172.98 1fe8 s VAL 132 N 0.08 3.56 0.05 3.43 1.01 0.15 -3.17 120.40 125.50 1fe8 s VAL 132 Ca -0.10 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1fe8 s VAL 132 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1fe8 s VAL 132 CO 0.06 0.37 0.16 -0.69 0.00 0.00 0.00 175.10 175.00 1fe8 s VAL 133 N 1.50 5.14 -0.08 2.92 1.01 -0.74 -0.54 120.40 129.62 1fe8 s VAL 133 Ca 0.05 -0.44 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1fe8 s VAL 133 Cb -0.15 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1fe8 s VAL 133 CO -0.02 0.18 0.16 0.00 0.00 0.00 0.00 175.10 175.42 1fe8 s PHE 135 N 1.99 3.23 -0.56 0.00 0.08 -0.33 -1.36 117.98 121.03 1fe8 s PHE 135 Ca -0.00 0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.15 1fe8 s PHE 135 Cb -0.12 -2.01 0.14 0.00 -0.57 0.00 0.00 43.02 40.46 1fe8 s PHE 135 CO -0.06 0.21 0.32 -0.51 -0.10 0.00 0.00 175.22 175.09 1fe8 s LEU 136 N 0.09 4.51 0.09 -0.37 1.02 -0.71 -1.95 118.68 121.36 1fe8 s LEU 136 Ca 0.04 -3.12 -0.06 0.00 0.02 0.00 0.00 54.13 51.01 1fe8 s LEU 136 Cb -0.12 -1.67 -0.05 0.00 0.02 0.00 0.00 46.19 44.36 1fe8 s LEU 136 CO 0.01 -0.23 0.34 0.20 0.02 0.00 0.00 176.35 176.70 1fe8 s ASN 137 N -0.34 6.51 -1.08 2.29 0.02 -0.81 -1.32 114.94 120.21 1fe8 s ASN 137 Ca 0.18 0.59 -0.19 0.00 -1.02 0.00 0.00 52.86 52.43 1fe8 s ASN 137 Cb -0.22 -2.10 0.00 0.00 0.02 0.00 0.00 41.25 38.95 1fe8 s ASN 137 CO -0.03 0.13 0.75 0.59 0.02 0.00 0.00 177.10 178.57 1fe8 n ASN 138 N 0.49 -5.32 -4.56 -1.22 4.13 -0.83 -1.26 115.26 106.69 1fe8 n ASN 138 Ca -0.06 -0.98 -0.26 0.00 1.68 0.00 0.00 54.58 54.96 1fe8 n ASN 138 Cb 0.52 -3.10 -0.11 0.00 -1.54 0.00 0.00 39.78 35.55 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 -3.38 2.40 -0.26 3.10 -0.71 0.58 -4.55 117.98 115.16 1fe8 s PHE 139 Ca 0.39 -0.57 -0.22 0.00 -1.04 0.00 0.00 56.93 55.49 1fe8 s PHE 139 Cb -0.15 -1.48 0.07 0.00 -1.21 0.00 0.00 43.02 40.24 1fe8 s PHE 139 CO 0.87 0.51 0.67 -0.47 -1.34 0.00 0.00 175.22 175.47 1fe8 s TYR 140 N -2.68 -0.81 1.15 3.49 5.04 0.13 -0.08 117.35 123.59 1fe8 s TYR 140 Ca 0.33 1.87 -0.19 0.00 -2.44 0.00 0.00 57.07 56.64 1fe8 s TYR 140 Cb 0.05 0.34 0.27 0.00 0.35 0.00 0.00 41.96 42.97 1fe8 s TYR 140 CO 0.17 -0.39 1.19 -1.25 -1.34 0.00 0.00 175.55 173.92 1fe8 s PRO 141 N 0.66 -0.80 0.43 4.97 0.04 -1.26 -0.56 135.00 138.48 1fe8 s PRO 141 Ca -0.02 -0.27 0.13 0.00 0.04 0.00 0.00 61.00 60.88 1fe8 s PRO 141 Cb -0.05 -1.66 0.95 0.00 0.04 0.00 0.00 34.50 33.78 1fe8 s PRO 141 CO -0.04 -3.40 1.97 -0.22 0.04 0.00 0.00 177.00 175.36 1fe8 h LYS 142 N -2.35 0.05 -6.57 4.56 3.64 -1.97 -3.44 116.57 110.49 1fe8 h LYS 142 Ca -0.44 -0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.41 1fe8 h LYS 142 Cb 1.26 -0.01 0.04 0.00 -0.41 0.00 0.00 32.23 33.11 1fe8 h LYS 142 CO 0.32 0.22 0.88 -0.51 -2.27 0.00 0.00 179.45 178.09 1fe8 s ASP 143 N -6.98 6.62 -0.11 4.20 1.01 -1.26 -4.99 116.67 115.17 1fe8 s ASP 143 Ca -0.04 2.55 -0.30 0.00 0.71 0.00 0.00 52.55 55.47 1fe8 s ASP 143 Cb 0.16 -2.59 0.08 0.00 1.01 0.00 0.00 42.92 41.58 1fe8 s ASP 143 CO 0.70 -0.81 0.77 -0.51 0.21 0.00 0.00 175.17 175.53 1fe8 s ILE 144 N 1.42 0.00 -0.06 0.77 2.07 -1.26 -4.65 121.20 119.48 1fe8 s ILE 144 Ca 0.70 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.99 1fe8 s ILE 144 Cb -0.42 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.15 1fe8 s ILE 144 CO 0.31 0.00 -0.21 0.21 -1.91 0.00 0.00 174.94 173.34 1fe8 s ASN 145 N -0.93 3.43 -0.10 4.50 2.47 -0.67 -5.00 114.94 118.64 1fe8 s ASN 145 Ca -0.07 -0.41 0.04 0.00 0.42 0.00 0.00 52.86 52.83 1fe8 s ASN 145 Cb -0.01 -0.92 -0.00 0.00 -1.45 0.00 0.00 41.25 38.87 1fe8 s ASN 145 CO 0.07 0.26 -0.23 0.54 -3.72 0.00 0.00 177.10 174.02 1fe8 s VAL 146 N -0.25 2.15 -0.08 -5.21 0.11 -1.26 -0.50 120.40 115.37 1fe8 s VAL 146 Ca -0.00 -0.99 0.04 0.00 -2.93 0.00 0.00 61.98 58.10 1fe8 s VAL 146 Cb -0.13 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 1fe8 s VAL 146 CO 0.03 0.56 -0.19 -0.75 -3.33 0.00 0.00 175.10 171.42 1fe8 s LYS 147 N 0.36 2.37 0.00 1.54 2.20 0.37 -4.94 119.74 121.64 1fe8 s LYS 147 Ca -0.18 -0.68 -0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1fe8 s LYS 147 Cb -0.18 -1.87 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 1fe8 s LYS 147 CO 0.08 0.14 0.14 -1.58 -0.36 0.00 0.00 175.35 173.77 1fe8 s TRP 148 N 0.39 3.43 -0.04 4.03 0.52 -1.26 0.41 118.94 126.41 1fe8 s TRP 148 Ca -0.15 0.28 -0.02 0.00 0.02 0.00 0.00 56.10 56.24 1fe8 s TRP 148 Cb -0.16 -1.78 0.03 0.00 -1.15 0.00 0.00 33.47 30.41 1fe8 s TRP 148 CO 0.06 0.60 0.09 0.15 0.02 0.00 0.00 176.95 177.87 1fe8 s LYS 149 N -1.90 0.04 -0.18 4.98 1.02 0.51 -0.92 119.74 123.28 1fe8 s LYS 149 Ca 0.26 0.25 -0.02 0.00 0.02 0.00 0.00 55.97 56.49 1fe8 s LYS 149 Cb -0.12 -0.17 -0.00 0.00 -0.52 0.00 0.00 37.83 37.02 1fe8 s LYS 149 CO 0.17 -0.14 -0.11 0.42 -0.92 0.00 0.00 175.35 174.78 1fe8 s ILE 150 N 0.93 2.99 -1.55 2.17 1.01 0.34 -0.42 121.20 126.67 1fe8 s ILE 150 Ca -0.07 -0.64 -0.09 0.00 0.00 0.00 0.00 60.65 59.84 1fe8 s ILE 150 Cb -0.10 -2.31 0.08 0.00 0.01 0.00 0.00 42.46 40.14 1fe8 s ILE 150 CO -0.04 0.48 0.63 0.47 0.00 0.00 0.00 174.94 176.48 1fe8 n ASP 151 N 4.33 -2.03 0.00 3.58 8.00 0.31 -1.59 116.55 129.15 1fe8 n ASP 151 Ca -0.19 -0.99 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1fe8 n ASP 151 Cb 0.51 -3.01 0.00 0.00 -0.02 0.00 0.00 41.12 38.60 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 -1.71 2.66 3.73 0.44 0.00 -1.26 -5.01 105.19 104.04 1fe8 n GLY 152 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1fe8 n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fe8 s SER 153 N -2.28 5.39 0.49 1.61 1.04 -0.62 -5.01 113.70 114.33 1fe8 s SER 153 Ca 0.00 0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.24 1fe8 s SER 153 Cb 0.00 -1.47 -0.07 0.00 0.10 0.00 0.00 66.02 64.58 1fe8 s SER 153 CO 0.00 0.26 1.39 1.21 0.98 0.00 0.00 173.24 177.08 1fe8 n GLU 154 N 1.19 1.98 -4.06 4.02 2.13 -1.26 -0.50 120.64 124.14 1fe8 n GLU 154 Ca -0.13 0.71 -0.32 0.00 0.66 0.00 0.00 57.16 58.08 1fe8 n GLU 154 Cb 0.53 -2.59 -0.15 0.00 0.27 0.00 0.00 31.44 29.50 1fe8 n GLU 154 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1fe8 s ARG 155 N -2.63 2.06 0.03 5.31 6.06 -0.10 -4.77 118.95 124.92 1fe8 s ARG 155 Ca 0.66 -1.46 0.13 0.00 -2.50 0.00 0.00 55.73 52.56 1fe8 s ARG 155 Cb -0.44 -2.95 -0.18 0.00 0.06 0.00 0.00 34.95 31.44 1fe8 s ARG 155 CO 0.54 -0.65 0.87 1.96 -2.50 0.00 0.00 175.30 175.51 1fe8 h GLN 156 N 7.74 0.00 -6.29 5.12 4.20 -1.94 -3.41 115.11 120.54 1fe8 h GLN 156 Ca -0.16 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.05 1fe8 h GLN 156 Cb 1.04 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1fe8 h GLN 156 CO 0.47 0.54 -0.33 0.54 -0.67 0.00 0.00 178.83 179.38 1fe8 s ASN 157 N -6.16 6.34 -0.30 1.46 4.22 -1.26 -4.47 114.94 114.78 1fe8 s ASN 157 Ca -0.03 0.32 0.00 0.00 -2.14 0.00 0.00 52.86 51.01 1fe8 s ASN 157 Cb 0.08 -1.97 0.00 0.00 1.28 0.00 0.00 41.25 40.64 1fe8 s ASN 157 CO 0.82 -0.11 0.00 0.61 -2.04 0.00 0.00 177.10 176.37 1fe8 n GLY 158 N -1.15 0.60 3.77 0.45 0.00 -1.26 -4.76 105.19 102.84 1fe8 n GLY 158 Ca -0.06 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.10 5.14 -0.03 1.61 1.01 -1.26 -0.37 120.40 124.40 1fe8 s VAL 159 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 1fe8 s VAL 159 Cb 0.00 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.15 1fe8 s VAL 159 CO 0.00 0.55 0.05 -0.76 0.00 0.00 0.00 175.10 174.94 1fe8 s LEU 160 N -0.47 0.51 -0.02 3.92 1.02 -0.75 -5.00 118.68 117.89 1fe8 s LEU 160 Ca 0.11 0.06 0.05 0.00 0.02 0.00 0.00 54.13 54.36 1fe8 s LEU 160 Cb -0.12 -0.13 -0.03 0.00 0.02 0.00 0.00 46.19 45.94 1fe8 s LEU 160 CO 0.02 -0.20 -0.15 0.20 0.02 0.00 0.00 176.35 176.24 1fe8 s ASN 161 N 1.75 4.02 -0.03 2.29 0.01 -1.26 -0.80 114.94 120.92 1fe8 s ASN 161 Ca -0.00 -0.26 0.03 0.00 -0.71 0.00 0.00 52.86 51.92 1fe8 s ASN 161 Cb -0.12 -0.80 0.00 0.00 0.41 0.00 0.00 41.25 40.74 1fe8 s ASN 161 CO -0.03 0.31 -0.11 -0.55 -1.51 0.00 0.00 177.10 175.21 1fe8 s SER 162 N -1.01 1.45 -0.03 -1.22 0.15 0.61 -4.95 113.70 108.69 1fe8 s SER 162 Ca 0.13 -0.23 0.06 0.00 0.70 0.00 0.00 55.95 56.61 1fe8 s SER 162 Cb -0.11 -0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 63.80 1fe8 s SER 162 CO 0.03 0.09 -0.20 0.26 1.20 0.00 0.00 173.24 174.62 1fe8 s TRP 163 N 0.14 2.52 0.50 3.44 0.52 -1.26 0.43 118.94 125.21 1fe8 s TRP 163 Ca -0.03 -0.30 -0.09 0.00 0.02 0.00 0.00 56.10 55.70 1fe8 s TRP 163 Cb -0.09 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.62 1fe8 s TRP 163 CO 0.01 0.08 0.86 0.95 0.02 0.00 0.00 176.95 178.86 1fe8 s THR 164 N -0.68 4.79 0.74 2.01 -4.23 -0.38 -5.01 115.64 112.89 1fe8 s THR 164 Ca 0.11 0.58 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1fe8 s THR 164 Cb -0.10 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 69.96 1fe8 s THR 164 CO -0.00 -0.81 1.08 -1.81 -0.54 0.00 0.00 174.62 172.53 1fe8 s ASP 165 N -3.75 4.92 0.19 3.99 1.01 -1.26 -4.60 116.67 117.18 1fe8 s ASP 165 Ca 0.51 1.55 -0.32 0.00 0.71 0.00 0.00 52.55 55.00 1fe8 s ASP 165 Cb -0.10 -2.35 -0.15 0.00 1.01 0.00 0.00 42.92 41.32 1fe8 s ASP 165 CO 0.42 -1.73 1.27 1.67 0.21 0.00 0.00 175.17 177.01 1fe8 n GLN 166 N -3.30 1.50 -2.02 8.23 7.27 -1.26 -4.84 117.38 122.94 1fe8 n GLN 166 Ca 0.08 0.53 -0.42 0.00 0.07 0.00 0.00 57.00 57.26 1fe8 n GLN 166 Cb 0.54 -2.10 -0.03 0.00 2.41 0.00 0.00 30.24 31.06 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 0.15 6.68 0.52 1.69 2.15 0.24 -4.88 116.67 123.22 1fe8 s ASP 167 Ca 0.72 2.54 0.17 0.00 0.43 0.00 0.00 52.55 56.41 1fe8 s ASP 167 Cb -0.78 -2.60 1.29 0.00 -0.30 0.00 0.00 42.92 40.54 1fe8 s ASP 167 CO 0.51 -0.74 2.15 0.28 -0.17 0.00 0.00 175.17 177.20 1fe8 h SER 168 N 6.38 0.00 0.00 -0.34 0.02 -1.90 0.18 113.55 117.89 1fe8 h SER 168 Ca -0.43 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 1fe8 h SER 168 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 1fe8 h SER 168 CO 0.87 0.00 -1.59 0.29 -1.14 0.00 0.00 176.83 175.26 1fe8 n LYS 169 N -4.51 0.69 -0.10 3.45 5.02 -1.26 -4.71 118.16 116.74 1fe8 n LYS 169 Ca -0.03 -0.09 -0.12 0.00 -2.02 0.00 0.00 58.31 56.05 1fe8 n LYS 169 Cb 0.09 -1.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.69 1fe8 n LYS 169 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1fe8 n ASP 170 N -2.01 1.32 -0.44 4.39 10.43 -1.20 -4.98 116.55 124.07 1fe8 n ASP 170 Ca -0.05 -0.05 -0.06 0.00 2.57 0.00 0.00 54.79 57.20 1fe8 n ASP 170 Cb 0.41 0.40 -0.02 0.00 1.84 0.00 0.00 41.12 43.75 1fe8 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1fe8 n SER 171 N -2.86 -4.12 -4.98 -2.24 7.64 0.62 -4.96 113.62 102.72 1fe8 n SER 171 Ca -0.33 0.14 -0.20 0.00 1.01 0.00 0.00 58.87 59.49 1fe8 n SER 171 Cb 1.01 -2.12 0.02 0.00 -1.01 0.00 0.00 64.21 62.11 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 -2.07 2.36 0.25 0.44 -4.23 -1.26 -4.70 115.64 106.44 1fe8 s THR 172 Ca 0.00 -1.13 0.08 0.00 -1.18 0.00 0.00 61.69 59.46 1fe8 s THR 172 Cb 0.00 -2.50 -0.05 0.00 1.34 0.00 0.00 72.50 71.29 1fe8 s THR 172 CO 0.00 0.00 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.65 1fe8 s TYR 173 N -2.57 1.91 0.01 3.99 1.51 0.88 -0.59 117.35 122.49 1fe8 s TYR 173 Ca 0.53 -0.58 -0.03 0.00 -1.01 0.00 0.00 57.07 55.98 1fe8 s TYR 173 Cb -0.06 -0.96 -0.01 0.00 -0.11 0.00 0.00 41.96 40.82 1fe8 s TYR 173 CO 0.33 0.39 0.05 -1.12 -1.11 0.00 0.00 175.55 174.09 1fe8 s SER 174 N -3.40 0.14 -0.01 2.29 0.01 -1.26 -0.31 113.70 111.15 1fe8 s SER 174 Ca 0.26 -0.35 -0.03 0.00 1.31 0.00 0.00 55.95 57.15 1fe8 s SER 174 Cb 0.00 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1fe8 s SER 174 CO 0.10 -0.32 0.06 0.00 0.41 0.00 0.00 173.24 173.49 1fe8 s MET 175 N -1.38 0.18 -0.16 12.44 0.23 -0.44 -1.25 119.30 128.93 1fe8 s MET 175 Ca -0.15 -0.11 -0.03 0.00 -1.03 0.00 0.00 55.69 54.37 1fe8 s MET 175 Cb -0.09 0.08 -0.02 0.00 -1.53 0.00 0.00 34.83 33.27 1fe8 s MET 175 CO 0.00 -0.03 -0.05 0.45 -2.03 0.00 0.00 175.02 173.36 1fe8 s SER 176 N -0.45 4.63 -0.22 -1.18 0.15 0.17 -1.73 113.70 115.06 1fe8 s SER 176 Ca -0.05 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.42 1fe8 s SER 176 Cb -0.03 -1.75 0.03 0.00 -1.71 0.00 0.00 66.02 62.56 1fe8 s SER 176 CO 0.00 0.15 -0.13 -0.55 1.20 0.00 0.00 173.24 173.91 1fe8 s SER 177 N 0.49 3.88 -0.25 5.45 0.15 -0.46 -0.28 113.70 122.67 1fe8 s SER 177 Ca -0.04 -0.90 -0.05 0.00 0.70 0.00 0.00 55.95 55.65 1fe8 s SER 177 Cb -0.15 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 1fe8 s SER 177 CO 0.03 -0.09 0.01 -0.89 1.20 0.00 0.00 173.24 173.51 1fe8 s THR 178 N 1.26 3.71 -0.28 6.45 2.01 0.02 -1.30 115.64 127.50 1fe8 s THR 178 Ca -0.00 -0.52 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 1fe8 s THR 178 Cb -0.16 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1fe8 s THR 178 CO -0.08 0.29 0.17 -0.22 -0.69 0.00 0.00 174.62 174.10 1fe8 s LEU 179 N 1.50 3.96 -0.13 4.42 2.96 0.30 -1.81 118.68 129.89 1fe8 s LEU 179 Ca 0.05 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1fe8 s LEU 179 Cb -0.15 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 1fe8 s LEU 179 CO -0.00 -0.06 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.97 1fe8 s THR 180 N 1.73 3.30 0.11 3.68 2.01 0.51 0.29 115.64 127.28 1fe8 s THR 180 Ca 0.07 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 1fe8 s THR 180 Cb -0.16 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.95 1fe8 s THR 180 CO 0.10 0.52 0.24 -1.48 -0.69 0.00 0.00 174.62 173.31 1fe8 s LEU 181 N 0.28 1.18 0.66 4.42 2.34 0.10 -4.52 118.68 123.14 1fe8 s LEU 181 Ca -0.08 -0.67 -0.17 0.00 0.06 0.00 0.00 54.13 53.27 1fe8 s LEU 181 Cb -0.15 1.18 -0.01 0.00 -0.56 0.00 0.00 46.19 46.64 1fe8 s LEU 181 CO 0.05 -0.79 1.13 0.41 -1.06 0.00 0.00 176.35 176.09 1fe8 n THR 182 N -0.12 4.12 0.06 5.48 -1.04 -1.26 -2.36 114.28 119.16 1fe8 n THR 182 Ca -0.13 -0.47 -0.11 0.00 -2.04 0.00 0.00 64.05 61.30 1fe8 n THR 182 Cb 0.63 -1.31 -0.05 0.00 -1.82 0.00 0.00 70.33 67.78 1fe8 n THR 182 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1fe8 h LYS 183 N 0.30 -0.24 -0.88 -2.82 3.64 -1.75 -0.68 116.57 114.14 1fe8 h LYS 183 Ca -0.49 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1fe8 h LYS 183 Cb 1.35 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.18 1fe8 h LYS 183 CO 0.51 -0.16 0.58 -0.44 -2.27 0.00 0.00 179.45 177.67 1fe8 h ASP 184 N -0.25 1.00 0.27 4.20 5.19 -1.91 0.29 116.42 125.21 1fe8 h ASP 184 Ca 0.04 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.36 1fe8 h ASP 184 Cb 0.30 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1fe8 h ASP 184 CO -0.12 0.72 -0.30 -0.08 -3.12 0.00 0.00 179.24 176.35 1fe8 h GLU 185 N 1.18 0.05 -0.19 3.56 4.81 -1.87 -0.39 114.58 121.74 1fe8 h GLU 185 Ca 0.32 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.36 1fe8 h GLU 185 Cb -0.13 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 1fe8 h GLU 185 CO -0.07 0.35 -0.61 -0.92 -0.73 0.00 0.00 179.01 177.03 1fe8 h TYR 186 N 0.05 0.84 0.00 0.92 3.20 0.32 -2.93 116.97 119.37 1fe8 h TYR 186 Ca 0.01 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.56 1fe8 h TYR 186 Cb 0.55 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.67 1fe8 h TYR 186 CO 0.00 1.10 0.00 0.93 -1.64 0.00 0.00 178.16 178.55 1fe8 h GLU 187 N 0.49 0.00 -0.01 1.82 4.39 0.41 -3.05 114.58 118.63 1fe8 h GLU 187 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1fe8 h GLU 187 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1fe8 h GLU 187 CO 0.12 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.51 1fe8 n ARG 188 N -2.74 1.50 -4.39 2.33 3.00 -0.24 -4.92 116.66 111.20 1fe8 n ARG 188 Ca 0.02 -0.72 -0.19 0.00 -0.01 0.00 0.00 57.85 56.94 1fe8 n ARG 188 Cb 0.32 -1.48 -0.10 0.00 0.00 0.00 0.00 32.46 31.19 1fe8 n ARG 188 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1fe8 s HIS 189 N -2.00 1.78 0.03 -1.55 3.76 -1.15 -5.09 115.29 111.08 1fe8 s HIS 189 Ca 0.40 -1.05 -0.01 0.00 -0.15 0.00 0.00 55.06 54.26 1fe8 s HIS 189 Cb 0.21 -1.12 -0.00 0.00 1.11 0.00 0.00 32.58 32.78 1fe8 s HIS 189 CO 0.34 -0.14 -0.01 -1.71 -0.85 0.00 0.00 174.74 172.37 1fe8 n ASN 190 N -0.59 0.53 -4.65 1.40 4.05 -1.26 -4.73 115.26 110.00 1fe8 n ASN 190 Ca -0.01 0.07 -0.40 0.00 0.45 0.00 0.00 54.58 54.69 1fe8 n ASN 190 Cb 0.66 -0.17 -0.06 0.00 1.23 0.00 0.00 39.78 41.45 1fe8 n ASN 190 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1fe8 s SER 191 N -5.48 6.66 -0.12 1.20 0.15 -1.26 -0.14 113.70 114.71 1fe8 s SER 191 Ca -0.01 0.80 0.03 0.00 0.70 0.00 0.00 55.95 57.46 1fe8 s SER 191 Cb 0.00 -2.34 0.01 0.00 -1.71 0.00 0.00 66.02 61.98 1fe8 s SER 191 CO 0.02 -0.29 -0.21 -0.31 1.20 0.00 0.00 173.24 173.65 1fe8 s TYR 192 N 2.01 2.46 0.00 3.44 2.02 -0.59 0.11 117.35 126.80 1fe8 s TYR 192 Ca 0.28 -1.16 0.01 0.00 -0.37 0.00 0.00 57.07 55.83 1fe8 s TYR 192 Cb -0.16 -1.68 -0.00 0.00 -0.40 0.00 0.00 41.96 39.72 1fe8 s TYR 192 CO 0.10 -0.52 -0.03 0.99 -1.57 0.00 0.00 175.55 174.51 1fe8 s THR 193 N 0.72 0.27 -0.13 -0.71 2.01 0.44 -1.81 115.64 116.42 1fe8 s THR 193 Ca -0.10 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 61.71 1fe8 s THR 193 Cb -0.16 -0.24 0.01 0.00 0.01 0.00 0.00 72.50 72.12 1fe8 s THR 193 CO 0.01 0.04 -0.20 0.00 -0.69 0.00 0.00 174.62 173.78 1fe8 s GLU 195 N 0.91 3.65 -0.32 0.00 2.02 0.16 -2.33 118.70 122.80 1fe8 s GLU 195 Ca -0.06 -0.49 -0.07 0.00 0.02 0.00 0.00 54.97 54.37 1fe8 s GLU 195 Cb -0.15 -2.94 0.03 0.00 0.10 0.00 0.00 34.13 31.17 1fe8 s GLU 195 CO -0.03 0.28 0.10 0.00 0.02 0.00 0.00 175.26 175.63 1fe8 s ALA 196 N 0.27 3.07 -0.28 5.21 0.00 -0.24 -0.48 121.76 129.31 1fe8 s ALA 196 Ca -0.02 -1.62 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 1fe8 s ALA 196 Cb -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 1fe8 s ALA 196 CO 0.03 -1.16 0.18 0.99 0.00 0.00 0.00 175.76 175.80 1fe8 s THR 197 N 1.46 5.28 0.03 0.00 2.01 0.35 -1.36 115.64 123.41 1fe8 s THR 197 Ca 0.00 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1fe8 s THR 197 Cb -0.18 -3.51 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1fe8 s THR 197 CO 0.03 0.26 -0.05 -2.28 -0.69 0.00 0.00 174.62 171.89 1fe8 s HIS 198 N 1.70 0.43 0.59 4.92 2.46 -1.26 -1.66 115.29 122.47 1fe8 s HIS 198 Ca 0.07 -0.54 0.30 0.00 0.47 0.00 0.00 55.06 55.36 1fe8 s HIS 198 Cb -0.16 -0.28 1.35 0.00 -0.13 0.00 0.00 32.58 33.36 1fe8 s HIS 198 CO 0.10 -0.15 1.72 -0.22 -2.47 0.00 0.00 174.74 173.72 1fe8 h LYS 199 N 4.52 0.00 0.00 2.88 3.64 -1.95 -1.73 116.57 123.94 1fe8 h LYS 199 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1fe8 h LYS 199 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1fe8 h LYS 199 CO 0.42 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 177.85 1fe8 n THR 200 N -3.64 0.00 -3.65 1.00 -2.24 -1.26 -4.75 114.28 99.74 1fe8 n THR 200 Ca 0.15 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.91 1fe8 n THR 200 Cb 0.99 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 1fe8 n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1fe8 s SER 201 N -1.65 -0.29 0.43 3.42 0.15 -0.65 -4.96 113.70 110.15 1fe8 s SER 201 Ca 0.19 0.49 0.30 0.00 0.70 0.00 0.00 55.95 57.62 1fe8 s SER 201 Cb 0.09 0.92 1.27 0.00 -1.71 0.00 0.00 66.02 66.58 1fe8 s SER 201 CO 0.14 -0.08 1.88 0.71 1.20 0.00 0.00 173.24 177.10 1fe8 h THR 202 N 4.47 0.00 -3.34 6.45 1.35 -1.85 -3.40 112.91 116.59 1fe8 h THR 202 Ca -0.27 -0.35 -0.62 0.00 -0.55 0.00 0.00 66.41 64.61 1fe8 h THR 202 Cb 1.18 1.22 -0.18 0.00 -1.73 0.00 0.00 68.15 68.64 1fe8 h THR 202 CO 0.19 0.00 -0.59 -0.44 -0.25 0.00 0.00 175.52 174.43 1fe8 s SER 203 N -5.00 5.39 0.57 5.36 0.01 -1.26 -5.05 113.70 113.71 1fe8 s SER 203 Ca 0.02 -0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.11 1fe8 s SER 203 Cb 0.09 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.35 1fe8 s SER 203 CO 0.46 0.15 1.07 -2.16 0.41 0.00 0.00 173.24 173.16 1fe8 s PRO 204 N 0.53 3.40 -0.28 12.44 0.04 -1.26 -4.86 135.00 145.00 1fe8 s PRO 204 Ca 0.02 1.31 -0.23 0.00 0.04 0.00 0.00 61.00 62.14 1fe8 s PRO 204 Cb -0.13 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1fe8 s PRO 204 CO 0.01 -0.76 0.75 0.42 0.04 0.00 0.00 177.00 177.46 1fe8 s ILE 205 N -2.23 4.86 -0.16 0.56 -1.09 -0.46 -4.86 121.20 117.81 1fe8 s ILE 205 Ca 0.66 1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 60.29 1fe8 s ILE 205 Cb -0.18 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1fe8 s ILE 205 CO 0.32 -0.13 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.19 1fe8 s VAL 206 N 2.80 4.10 -0.04 2.92 1.01 -1.26 -1.08 120.40 128.85 1fe8 s VAL 206 Ca 0.31 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1fe8 s VAL 206 Cb -0.15 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1fe8 s VAL 206 CO 0.10 0.49 -0.06 -0.75 0.00 0.00 0.00 175.10 174.88 1fe8 s LYS 207 N 0.28 0.98 0.28 2.72 2.47 -0.99 -5.03 119.74 120.45 1fe8 s LYS 207 Ca -0.02 -0.17 -0.17 0.00 -1.56 0.00 0.00 55.97 54.05 1fe8 s LYS 207 Cb -0.14 -0.92 0.01 0.00 -1.46 0.00 0.00 37.83 35.33 1fe8 s LYS 207 CO 0.02 -0.04 0.62 -1.54 0.16 0.00 0.00 175.35 174.57 1fe8 s SER 208 N 0.79 -0.13 0.08 1.43 1.04 -1.26 -1.19 113.70 114.45 1fe8 s SER 208 Ca -0.12 -0.81 -0.11 0.00 0.48 0.00 0.00 55.95 55.40 1fe8 s SER 208 Cb -0.14 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.66 1fe8 s SER 208 CO 0.01 -1.29 0.24 0.72 0.98 0.00 0.00 173.24 173.90 1fe8 s PHE 209 N -3.82 0.05 -0.18 5.02 -0.12 -0.75 -5.00 117.98 113.17 1fe8 s PHE 209 Ca 0.17 -0.39 -0.02 0.00 -0.05 0.00 0.00 56.93 56.64 1fe8 s PHE 209 Cb -0.04 0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.36 1fe8 s PHE 209 CO 0.09 -0.55 -0.08 -0.80 -0.05 0.00 0.00 175.22 173.83 1fe8 s ASN 210 N -2.63 4.16 0.00 1.98 0.02 -1.26 -1.55 114.94 115.66 1fe8 s ASN 210 Ca 0.02 -0.36 0.00 0.00 -1.02 0.00 0.00 52.86 51.49 1fe8 s ASN 210 Cb 0.03 -1.68 0.00 0.00 0.02 0.00 0.00 41.25 39.62 1fe8 s ASN 210 CO -0.09 0.06 0.46 -1.14 0.02 0.00 0.00 177.10 176.41