#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1r n LEU 4 N 0.00 0.00 -4.49 -1.84 4.77 -1.26 -4.80 117.00 109.38 3h1r n LEU 4 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 3h1r n LEU 4 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.98 3h1r n LEU 4 CO 0.00 0.00 -0.21 -0.63 -1.33 0.00 0.00 177.39 175.22 3h1r s ILE 5 N -2.61 4.77 0.56 -0.08 -1.09 -1.26 -4.96 121.20 116.54 3h1r s ILE 5 Ca -0.03 -0.19 0.06 0.00 -2.23 0.00 0.00 60.65 58.26 3h1r s ILE 5 Cb 0.06 -3.34 0.05 0.00 -1.58 0.00 0.00 42.46 37.65 3h1r s ILE 5 CO 0.37 0.18 0.46 0.42 -1.23 0.00 0.00 174.94 175.13 3h1r s THR 6 N 1.66 1.59 -1.28 2.92 -4.23 -1.26 -5.01 115.64 110.02 3h1r s THR 6 Ca 0.06 -1.45 0.27 0.00 -1.18 0.00 0.00 61.69 59.39 3h1r s THR 6 Cb -0.16 -2.03 0.39 0.00 1.34 0.00 0.00 72.50 72.03 3h1r s THR 6 CO 0.07 0.00 1.89 1.21 -0.54 0.00 0.00 174.62 177.26 3h1r n GLU 7 N -1.86 0.25 -3.65 3.99 2.13 -1.26 -4.30 120.64 115.95 3h1r n GLU 7 Ca -0.00 0.04 -0.15 0.00 0.66 0.00 0.00 57.16 57.71 3h1r n GLU 7 Cb 0.64 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.71 3h1r n GLU 7 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 3h1r s ASN 8 N -2.72 0.55 0.39 4.31 0.01 -1.26 -4.55 114.94 111.67 3h1r s ASN 8 Ca 0.21 0.45 0.04 0.00 -0.71 0.00 0.00 52.86 52.86 3h1r s ASN 8 Cb 0.18 0.54 -0.03 0.00 0.41 0.00 0.00 41.25 42.35 3h1r s ASN 8 CO 0.43 -0.25 0.16 -0.04 -1.51 0.00 0.00 177.10 175.90 3h1r s MET 9 N 2.37 1.88 0.46 -0.60 -1.94 -1.10 -5.02 119.30 115.34 3h1r s MET 9 Ca 0.02 -2.13 0.04 0.00 -1.71 0.00 0.00 55.69 51.91 3h1r s MET 9 Cb -0.12 -0.38 -0.04 0.00 2.01 0.00 0.00 34.83 36.30 3h1r s MET 9 CO -0.08 -0.52 0.02 -1.01 -0.01 0.00 0.00 175.02 173.42 3h1r s HIS 10 N -3.28 2.11 0.10 -0.03 3.76 -1.26 -2.14 115.29 114.55 3h1r s HIS 10 Ca 0.28 -0.87 -0.24 0.00 -0.15 0.00 0.00 55.06 54.08 3h1r s HIS 10 Cb 0.03 -1.63 0.06 0.00 1.11 0.00 0.00 32.58 32.15 3h1r s HIS 10 CO 0.17 0.26 0.59 -1.64 -0.85 0.00 0.00 174.74 173.28 3h1r s MET 11 N -3.80 1.19 -0.05 1.40 1.00 -1.17 -1.40 119.30 116.46 3h1r s MET 11 Ca 0.20 -0.32 -0.03 0.00 0.00 0.00 0.00 55.69 55.54 3h1r s MET 11 Cb 0.05 0.55 0.03 0.00 0.00 0.00 0.00 34.83 35.46 3h1r s MET 11 CO 0.10 -0.48 0.12 0.15 0.00 0.00 0.00 175.02 174.91 3h1r s LYS 12 N -3.08 0.09 0.15 2.03 1.02 0.31 -2.03 119.74 118.22 3h1r s LYS 12 Ca -0.02 0.27 0.11 0.00 0.02 0.00 0.00 55.97 56.35 3h1r s LYS 12 Cb -0.01 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.16 3h1r s LYS 12 CO -0.07 -0.11 -0.25 -1.17 -0.92 0.00 0.00 175.35 172.83 3h1r s LEU 13 N 0.77 2.42 -0.01 3.17 0.20 0.24 -1.84 118.68 123.63 3h1r s LEU 13 Ca -0.06 -0.77 0.00 0.00 0.69 0.00 0.00 54.13 53.99 3h1r s LEU 13 Cb -0.08 -1.24 0.01 0.00 -0.43 0.00 0.00 46.19 44.45 3h1r s LEU 13 CO -0.03 0.15 -0.01 -0.47 -0.29 0.00 0.00 176.35 175.70 3h1r s TYR 14 N -1.32 0.18 -0.00 5.38 5.04 0.42 -2.51 117.35 124.53 3h1r s TYR 14 Ca 0.17 -0.01 0.00 0.00 -2.44 0.00 0.00 57.07 54.80 3h1r s TYR 14 Cb -0.09 -0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.03 3h1r s TYR 14 CO 0.08 -0.04 -0.00 1.41 -1.34 0.00 0.00 175.55 175.66 3h1r s MET 15 N 0.32 0.07 0.02 4.97 -2.45 -1.06 -0.33 119.30 120.84 3h1r s MET 15 Ca -0.03 -0.01 0.05 0.00 -1.25 0.00 0.00 55.69 54.45 3h1r s MET 15 Cb -0.05 -0.10 -0.02 0.00 1.25 0.00 0.00 34.83 35.91 3h1r s MET 15 CO -0.01 -0.01 -0.15 -2.00 1.05 0.00 0.00 175.02 173.91 3h1r s GLU 16 N 0.13 1.08 0.05 4.11 2.12 -0.38 -0.77 118.70 125.04 3h1r s GLU 16 Ca -0.01 -0.66 -0.09 0.00 0.36 0.00 0.00 54.97 54.57 3h1r s GLU 16 Cb -0.02 -1.08 0.03 0.00 0.26 0.00 0.00 34.13 33.32 3h1r s GLU 16 CO -0.00 0.28 0.43 0.41 -0.54 0.00 0.00 175.26 175.84 3h1r n GLY 17 N 2.29 0.85 2.78 -1.50 0.00 -1.11 -0.89 105.19 107.62 3h1r n GLY 17 Ca -0.16 -0.98 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 3h1r n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1r s THR 18 N -2.28 -0.22 -0.28 2.61 2.01 -1.15 -2.51 115.64 113.81 3h1r s THR 18 Ca 0.10 0.31 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 3h1r s THR 18 Cb -0.01 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.19 3h1r s THR 18 CO 0.01 0.11 0.09 -0.69 -0.69 0.00 0.00 174.62 173.46 3h1r s VAL 19 N 2.26 4.26 -1.65 3.82 1.01 -0.69 0.32 120.40 129.73 3h1r s VAL 19 Ca 0.04 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 3h1r s VAL 19 Cb -0.12 -3.11 0.11 0.00 0.00 0.00 0.00 36.38 33.26 3h1r s VAL 19 CO -0.06 0.17 0.56 0.59 0.00 0.00 0.00 175.10 176.36 3h1r n ASN 20 N 4.92 -1.76 -2.76 3.32 4.13 0.66 -0.83 115.26 122.95 3h1r n ASN 20 Ca -0.15 -1.09 -0.22 0.00 1.68 0.00 0.00 54.58 54.80 3h1r n ASN 20 Cb 0.50 -2.46 0.02 0.00 -1.54 0.00 0.00 39.78 36.29 3h1r n ASN 20 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3h1r n ASN 21 N -2.73 -6.05 -4.36 6.41 3.02 -1.26 -5.00 115.26 105.30 3h1r n ASN 21 Ca -0.06 -0.17 -0.36 0.00 -0.03 0.00 0.00 54.58 53.95 3h1r n ASN 21 Cb 0.56 -4.95 -0.13 0.00 -0.61 0.00 0.00 39.78 34.65 3h1r n ASN 21 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3h1r s HIS 22 N -3.12 3.04 0.22 3.10 2.46 -0.01 -5.09 115.29 115.88 3h1r s HIS 22 Ca 0.18 -0.80 -0.21 0.00 0.47 0.00 0.00 55.06 54.70 3h1r s HIS 22 Cb -0.08 -2.18 -0.08 0.00 -0.13 0.00 0.00 32.58 30.11 3h1r s HIS 22 CO 0.22 -0.50 0.75 -1.58 -2.47 0.00 0.00 174.74 171.16 3h1r s HIS 23 N 1.52 3.71 0.29 3.88 2.46 -1.26 -1.69 115.29 124.20 3h1r s HIS 23 Ca 0.05 1.47 -0.11 0.00 0.47 0.00 0.00 55.06 56.94 3h1r s HIS 23 Cb -0.15 -2.67 0.01 0.00 -0.13 0.00 0.00 32.58 29.63 3h1r s HIS 23 CO 0.00 0.36 0.54 -0.59 -2.47 0.00 0.00 174.74 172.58 3h1r s PHE 24 N -1.45 0.46 0.07 3.88 -0.12 -1.04 -4.26 117.98 115.51 3h1r s PHE 24 Ca 0.42 -0.84 -0.01 0.00 -0.05 0.00 0.00 56.93 56.44 3h1r s PHE 24 Cb -0.18 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 3h1r s PHE 24 CO 0.22 -1.13 -0.01 0.15 -0.05 0.00 0.00 175.22 174.41 3h1r s LYS 25 N -3.54 0.68 0.18 1.99 1.02 0.32 -2.73 119.74 117.66 3h1r s LYS 25 Ca 0.23 -1.26 -0.07 0.00 0.02 0.00 0.00 55.97 54.89 3h1r s LYS 25 Cb -0.02 0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 37.50 3h1r s LYS 25 CO 0.12 -0.15 0.24 0.00 -0.92 0.00 0.00 175.35 174.65 3h1r s THR 27 N -4.02 0.02 0.24 0.00 -4.23 -1.00 -2.56 115.64 104.09 3h1r s THR 27 Ca 0.23 -0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 59.63 3h1r s THR 27 Cb 0.04 -1.73 0.02 0.00 1.34 0.00 0.00 72.50 72.17 3h1r s THR 27 CO 0.04 -0.10 0.60 -0.94 -0.54 0.00 0.00 174.62 173.68 3h1r s SER 28 N -2.90 -0.24 0.43 3.99 1.04 -1.05 -1.20 113.70 113.78 3h1r s SER 28 Ca 0.12 -0.62 0.06 0.00 0.48 0.00 0.00 55.95 55.99 3h1r s SER 28 Cb -0.01 0.64 -0.06 0.00 0.10 0.00 0.00 66.02 66.69 3h1r s SER 28 CO 0.00 -1.19 0.01 -1.61 0.98 0.00 0.00 173.24 171.43 3h1r s GLU 29 N -3.92 2.01 0.09 4.02 0.41 -1.19 0.82 118.70 120.94 3h1r s GLU 29 Ca 0.13 -2.17 -0.17 0.00 -0.41 0.00 0.00 54.97 52.34 3h1r s GLU 29 Cb -0.03 -1.61 0.06 0.00 -1.78 0.00 0.00 34.13 30.77 3h1r s GLU 29 CO 0.04 -0.12 0.81 0.41 -0.49 0.00 0.00 175.26 175.90 3h1r n GLY 30 N -1.03 0.65 3.62 -1.39 0.00 -0.86 -1.18 105.19 105.00 3h1r n GLY 30 Ca -0.08 -1.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.81 3h1r n GLY 30 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h1r s GLU 31 N -2.03 1.15 0.00 1.61 1.03 -0.40 -3.06 118.70 117.00 3h1r s GLU 31 Ca 0.18 -0.54 0.00 0.00 0.03 0.00 0.00 54.97 54.64 3h1r s GLU 31 Cb -0.02 0.45 0.00 0.00 -0.80 0.00 0.00 34.13 33.77 3h1r s GLU 31 CO 0.03 -0.52 0.00 0.41 -1.33 0.00 0.00 175.26 173.85 3h1r n GLY 32 N -0.37 0.68 2.80 -3.83 0.00 -0.91 -1.44 105.19 102.12 3h1r n GLY 32 Ca -0.09 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 3h1r n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1r s LYS 33 N -0.66 1.86 0.28 1.61 1.02 0.12 -2.72 119.74 121.25 3h1r s LYS 33 Ca 0.00 -2.68 0.26 0.00 0.02 0.00 0.00 55.97 53.56 3h1r s LYS 33 Cb 0.00 -2.88 0.89 0.00 -0.52 0.00 0.00 37.83 35.32 3h1r s LYS 33 CO 0.00 -1.22 0.81 -2.30 -0.92 0.00 0.00 175.35 171.71 3h1r n PRO 34 N 2.75 -0.00 -0.00 -1.68 -0.02 -1.26 0.12 135.00 134.90 3h1r n PRO 34 Ca 0.15 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.22 3h1r n PRO 34 Cb 0.36 -1.30 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 3h1r n PRO 34 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3h1r n TYR 35 N -3.03 0.00 0.89 6.00 4.02 -1.26 -3.24 117.16 120.54 3h1r n TYR 35 Ca 0.23 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.25 3h1r n TYR 35 Cb 1.04 -0.06 0.43 0.00 -0.02 0.00 0.00 39.34 40.73 3h1r n TYR 35 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1r n GLU 36 N -1.39 0.07 -0.76 -0.72 1.02 0.31 -4.63 120.64 114.55 3h1r n GLU 36 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3h1r n GLU 36 Cb 0.10 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 3h1r n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h1r n GLY 37 N 1.45 0.57 3.45 0.62 0.00 -0.06 -4.73 105.19 106.49 3h1r n GLY 37 Ca 0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 3h1r n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1r s THR 38 N -2.00 2.71 -0.08 2.61 -4.23 -1.22 -2.42 115.64 111.01 3h1r s THR 38 Ca 0.00 -1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 58.95 3h1r s THR 38 Cb 0.00 -2.14 0.07 0.00 1.34 0.00 0.00 72.50 71.77 3h1r s THR 38 CO 0.00 0.31 0.69 0.00 -0.54 0.00 0.00 174.62 175.07 3h1r s GLN 39 N -1.51 1.03 0.02 3.99 -2.07 -0.82 0.13 119.66 120.42 3h1r s GLN 39 Ca 0.15 0.37 0.06 0.00 -1.82 0.00 0.00 55.36 54.12 3h1r s GLN 39 Cb -0.10 0.49 -0.02 0.00 -1.09 0.00 0.00 33.01 32.28 3h1r s GLN 39 CO 0.05 -0.30 -0.19 0.99 -1.32 0.00 0.00 175.29 174.53 3h1r s THR 40 N -0.96 1.51 0.02 3.63 2.01 -0.52 -0.07 115.64 121.26 3h1r s THR 40 Ca -0.09 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 60.91 3h1r s THR 40 Cb -0.01 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.19 3h1r s THR 40 CO 0.09 0.26 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.14 3h1r s GLN 41 N -0.87 0.33 -0.28 4.92 -0.21 -0.17 -1.27 119.66 122.10 3h1r s GLN 41 Ca 0.07 -0.55 0.03 0.00 0.02 0.00 0.00 55.36 54.92 3h1r s GLN 41 Cb -0.08 -0.04 0.07 0.00 1.00 0.00 0.00 33.01 33.97 3h1r s GLN 41 CO 0.01 -0.01 -0.06 1.03 -2.12 0.00 0.00 175.29 174.14 3h1r s ARG 42 N -1.24 1.97 -0.12 2.91 0.52 -0.32 -1.79 118.95 120.88 3h1r s ARG 42 Ca -0.12 -1.46 0.01 0.00 -0.52 0.00 0.00 55.73 53.65 3h1r s ARG 42 Cb -0.08 -2.94 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 3h1r s ARG 42 CO -0.00 -0.67 -0.15 0.42 0.02 0.00 0.00 175.30 174.91 3h1r s ILE 43 N 1.08 2.87 -0.07 1.52 1.01 -0.14 -3.18 121.20 124.29 3h1r s ILE 43 Ca -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3h1r s ILE 43 Cb -0.20 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.09 3h1r s ILE 43 CO -0.06 0.53 -0.20 -0.54 0.00 0.00 0.00 174.94 174.67 3h1r s LYS 44 N 0.31 2.39 -0.17 2.79 1.02 -0.34 0.22 119.74 125.96 3h1r s LYS 44 Ca -0.12 -0.72 -0.29 0.00 0.02 0.00 0.00 55.97 54.86 3h1r s LYS 44 Cb -0.16 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 3h1r s LYS 44 CO 0.06 0.19 1.32 0.08 -0.92 0.00 0.00 175.35 176.08 3h1r s VAL 45 N 0.28 4.18 -0.74 3.17 1.01 0.56 -2.37 120.40 126.48 3h1r s VAL 45 Ca -0.12 1.41 0.23 0.00 0.00 0.00 0.00 61.98 63.49 3h1r s VAL 45 Cb -0.15 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 3h1r s VAL 45 CO 0.06 -0.17 1.06 1.33 0.00 0.00 0.00 175.10 177.37 3h1r n VAL 46 N 5.52 0.10 -3.64 2.92 0.24 -0.79 -4.88 118.33 117.80 3h1r n VAL 46 Ca 0.14 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.34 62.22 3h1r n VAL 46 Cb 0.45 0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 3h1r n VAL 46 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3h1r s GLU 47 N -3.13 0.65 0.00 7.34 2.12 -1.00 -4.91 118.70 119.77 3h1r s GLU 47 Ca 0.06 1.08 0.00 0.00 0.36 0.00 0.00 54.97 56.46 3h1r s GLU 47 Cb 0.15 0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.70 3h1r s GLU 47 CO 0.80 -0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.80 3h1r n GLY 48 N 4.00 0.94 3.67 -1.50 0.00 -1.26 0.12 105.19 111.15 3h1r n GLY 48 Ca -0.19 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 3h1r n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1r s GLY 49 N -2.43 2.09 0.59 -0.02 0.00 -1.26 -4.10 107.32 102.18 3h1r s GLY 49 Ca 0.00 -1.96 -0.19 0.00 0.00 0.00 0.00 44.72 42.57 3h1r s GLY 49 CO 0.00 -1.87 1.03 -1.05 0.00 0.00 0.00 173.10 171.20 3h1r n PRO 50 N -1.04 1.02 -2.74 2.90 -0.02 -1.26 -5.08 135.00 128.77 3h1r n PRO 50 Ca -0.03 0.39 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 3h1r n PRO 50 Cb 0.63 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 3h1r n PRO 50 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3h1r s LEU 51 N -2.21 4.54 0.00 2.45 1.43 -1.26 -4.91 118.68 118.72 3h1r s LEU 51 Ca 0.75 1.83 0.17 0.00 -1.03 0.00 0.00 54.13 55.84 3h1r s LEU 51 Cb -0.42 -3.58 0.99 0.00 0.03 0.00 0.00 46.19 43.20 3h1r s LEU 51 CO 0.47 -0.00 1.41 -0.81 0.23 0.00 0.00 176.35 177.65 3h1r n PRO 52 N 2.44 0.60 -4.59 1.29 -0.04 -1.26 -4.74 135.00 128.69 3h1r n PRO 52 Ca 0.01 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 3h1r n PRO 52 Cb 0.49 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 3h1r n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3h1r s PHE 53 N -2.00 2.42 0.16 0.54 -0.12 -1.26 -4.70 117.98 113.02 3h1r s PHE 53 Ca 0.25 -0.72 -0.30 0.00 -0.05 0.00 0.00 56.93 56.11 3h1r s PHE 53 Cb 0.11 -1.68 -0.07 0.00 -0.63 0.00 0.00 43.02 40.75 3h1r s PHE 53 CO 0.19 0.37 1.01 0.00 -0.05 0.00 0.00 175.22 176.74 3h1r s ALA 54 N -2.82 3.30 -0.68 1.99 0.00 -0.21 -4.90 121.76 118.44 3h1r s ALA 54 Ca 0.35 0.67 0.18 0.00 0.00 0.00 0.00 51.96 53.16 3h1r s ALA 54 Cb 0.10 -3.29 0.79 0.00 0.00 0.00 0.00 23.12 20.71 3h1r s ALA 54 CO 0.18 -0.05 1.56 0.34 0.00 0.00 0.00 175.76 177.79 3h1r n PHE 55 N 2.42 0.45 0.36 0.00 7.35 -1.26 -3.43 117.46 123.35 3h1r n PHE 55 Ca 0.02 0.18 0.13 0.00 -0.76 0.00 0.00 57.45 57.02 3h1r n PHE 55 Cb 0.48 -0.80 0.54 0.00 0.35 0.00 0.00 39.48 40.05 3h1r n PHE 55 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 3h1r h ASP 56 N 0.00 0.00 1.11 -2.13 3.32 -1.96 -2.05 116.42 114.71 3h1r h ASP 56 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h1r h ASP 56 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3h1r h ASP 56 CO 0.00 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 3h1r n ILE 57 N -2.36 0.70 0.81 0.35 -5.35 -1.22 -3.35 119.36 108.95 3h1r n ILE 57 Ca 0.02 -0.04 0.08 0.00 -0.27 0.00 0.00 62.75 62.54 3h1r n ILE 57 Cb 0.22 -0.87 -0.07 0.00 -1.74 0.00 0.00 39.64 37.18 3h1r n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3h1r n LEU 58 N -2.26 1.05 0.20 7.28 4.77 -0.78 -4.49 117.00 122.78 3h1r n LEU 58 Ca 0.04 -0.56 0.04 0.00 -0.03 0.00 0.00 56.01 55.50 3h1r n LEU 58 Cb 0.33 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.88 3h1r n LEU 58 CO 0.25 0.24 0.86 0.00 -1.33 0.00 0.00 177.39 177.40 3h1r h ALA 59 N 2.62 1.60 -0.11 -1.18 0.00 -1.55 -1.00 119.26 119.65 3h1r h ALA 59 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h1r h ALA 59 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h1r h ALA 59 CO 0.00 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.80 3h1r n THR 60 N -4.26 0.14 0.66 0.00 -2.24 -1.26 -3.30 114.28 104.02 3h1r n THR 60 Ca -0.02 -0.20 0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3h1r n THR 60 Cb 0.29 0.08 -0.08 0.00 -2.10 0.00 0.00 70.33 68.51 3h1r n THR 60 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h1r n SER 61 N -0.15 0.65 -0.81 3.42 7.64 -0.38 -4.84 113.62 119.16 3h1r n SER 61 Ca 0.13 -0.54 -0.00 0.00 1.01 0.00 0.00 58.87 59.47 3h1r n SER 61 Cb 0.19 1.16 0.02 0.00 -1.01 0.00 0.00 64.21 64.57 3h1r n SER 61 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3h1r n PHE 62 N -1.79 0.19 0.00 1.43 3.01 -1.21 -5.01 117.46 114.08 3h1r n PHE 62 Ca 0.02 -0.28 0.00 0.00 1.01 0.00 0.00 57.45 58.20 3h1r n PHE 62 Cb 0.41 -0.20 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 3h1r n PHE 62 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3h1r n SER 66 N 0.18 0.00 -0.57 4.37 2.88 -1.26 -5.09 113.62 114.13 3h1r n SER 66 Ca 0.03 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.66 3h1r n SER 66 Cb 0.43 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.21 3h1r n SER 66 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3h1r n HIS 67 N 0.00 0.27 0.59 0.66 8.25 -1.26 -2.20 115.22 121.54 3h1r n HIS 67 Ca 0.00 -0.14 0.13 0.00 -0.26 0.00 0.00 57.72 57.45 3h1r n HIS 67 Cb 0.00 0.00 0.44 0.00 1.12 0.00 0.00 29.99 31.55 3h1r n HIS 67 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3h1r n THR 68 N 0.36 0.62 -1.86 1.59 -1.04 -1.26 -4.22 114.28 108.46 3h1r n THR 68 Ca 0.15 -0.11 -0.32 0.00 -2.04 0.00 0.00 64.05 61.73 3h1r n THR 68 Cb 0.32 -0.75 0.04 0.00 -1.82 0.00 0.00 70.33 68.12 3h1r n THR 68 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3h1r n PHE 69 N -2.17 3.09 -3.80 -1.42 3.01 -0.93 -4.64 117.46 110.59 3h1r n PHE 69 Ca 0.05 -2.68 -0.36 0.00 1.01 0.00 0.00 57.45 55.47 3h1r n PHE 69 Cb 0.36 -0.85 -0.10 0.00 -0.01 0.00 0.00 39.48 38.87 3h1r n PHE 69 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3h1r s ILE 70 N -4.97 4.90 -0.40 4.37 1.01 -1.20 -4.23 121.20 120.68 3h1r s ILE 70 Ca 0.55 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.94 3h1r s ILE 70 Cb 0.45 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3h1r s ILE 70 CO -0.13 0.37 1.51 0.21 0.00 0.00 0.00 174.94 176.91 3h1r s ASN 71 N 1.02 6.20 -0.53 3.58 3.84 -0.59 -4.64 114.94 123.81 3h1r s ASN 71 Ca 0.05 0.91 -0.16 0.00 0.21 0.00 0.00 52.86 53.87 3h1r s ASN 71 Cb -0.14 -2.54 0.11 0.00 -0.55 0.00 0.00 41.25 38.14 3h1r s ASN 71 CO 0.04 -1.53 0.51 -1.00 -2.79 0.00 0.00 177.10 172.32 3h1r s HIS 72 N 5.88 3.21 0.46 0.43 3.76 -1.26 -1.39 115.29 126.38 3h1r s HIS 72 Ca 0.65 -1.14 -0.11 0.00 -0.15 0.00 0.00 55.06 54.32 3h1r s HIS 72 Cb -0.16 -3.68 -0.06 0.00 1.11 0.00 0.00 32.58 29.79 3h1r s HIS 72 CO 0.32 -1.01 0.85 0.95 -0.85 0.00 0.00 174.74 175.00 3h1r s THR 73 N 1.79 4.74 -0.77 1.30 -4.23 -0.89 -4.53 115.64 113.05 3h1r s THR 73 Ca 0.05 0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 61.22 3h1r s THR 73 Cb -0.28 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.80 3h1r s THR 73 CO 0.05 -0.68 0.67 0.00 -0.54 0.00 0.00 174.62 174.12 3h1r n GLN 74 N -1.67 -4.49 -0.60 3.99 6.02 -1.26 -3.16 117.38 116.21 3h1r n GLN 74 Ca 0.03 0.48 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 3h1r n GLN 74 Cb 0.54 -4.47 0.00 0.00 1.02 0.00 0.00 30.24 27.34 3h1r n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h1r n GLY 75 N -1.32 0.00 3.61 1.08 0.00 -1.26 -4.85 105.19 102.45 3h1r n GLY 75 Ca -0.03 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.52 3h1r n GLY 75 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3h1r n ILE 76 N -1.29 0.46 -1.26 -0.61 5.41 -1.19 -4.90 119.36 115.98 3h1r n ILE 76 Ca 0.00 -0.21 -0.36 0.00 1.00 0.00 0.00 62.75 63.18 3h1r n ILE 76 Cb 0.26 -1.98 0.08 0.00 -0.71 0.00 0.00 39.64 37.29 3h1r n ILE 76 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3h1r n PRO 77 N 7.45 0.33 -3.25 0.38 -0.02 -1.26 -4.85 135.00 133.78 3h1r n PRO 77 Ca 0.28 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.52 3h1r n PRO 77 Cb 0.32 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 3h1r n PRO 77 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3h1r n ASP 78 N -0.80 5.47 -0.28 2.55 -0.08 -1.26 -4.81 116.55 117.34 3h1r n ASP 78 Ca 0.11 -3.29 0.21 0.00 -1.51 0.00 0.00 54.79 50.31 3h1r n ASP 78 Cb 0.50 -1.17 0.33 0.00 2.34 0.00 0.00 41.12 43.11 3h1r n ASP 78 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 3h1r n PHE 79 N 1.72 0.00 -0.09 -0.67 7.35 -1.26 -1.12 117.46 123.39 3h1r n PHE 79 Ca 0.25 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.71 3h1r n PHE 79 Cb 0.36 -0.20 -0.12 0.00 0.35 0.00 0.00 39.48 39.88 3h1r n PHE 79 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 3h1r n TRP 80 N -2.75 0.81 0.31 -5.13 8.01 -1.26 -3.57 117.44 113.85 3h1r n TRP 80 Ca 0.18 0.28 0.17 0.00 -1.31 0.00 0.00 57.50 56.81 3h1r n TRP 80 Cb 0.81 -1.09 0.73 0.00 -2.01 0.00 0.00 31.31 29.75 3h1r n TRP 80 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 3h1r h LYS 81 N -0.65 0.00 -0.05 -0.99 1.57 -1.44 -2.95 116.57 112.07 3h1r h LYS 81 Ca -0.46 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.11 3h1r h LYS 81 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.91 3h1r h LYS 81 CO -0.17 0.00 -0.86 1.96 -0.57 0.00 0.00 179.45 179.81 3h1r h GLN 82 N 0.00 0.52 -0.14 3.15 4.20 -1.50 -3.32 115.11 118.02 3h1r h GLN 82 Ca 0.00 -0.49 0.04 0.00 0.06 0.00 0.00 58.65 58.26 3h1r h GLN 82 Cb 0.37 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3h1r h GLN 82 CO 0.00 1.12 0.29 0.77 -0.67 0.00 0.00 178.83 180.34 3h1r h SER 83 N 0.32 0.00 -3.78 1.46 0.02 -1.57 -3.45 113.55 106.56 3h1r h SER 83 Ca -0.07 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.39 3h1r h SER 83 Cb 1.48 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 3h1r h SER 83 CO 0.16 0.00 0.15 -0.36 -1.14 0.00 0.00 176.83 175.64 3h1r s PHE 84 N -4.37 3.44 0.03 3.45 0.40 -1.25 -0.67 117.98 119.01 3h1r s PHE 84 Ca -0.04 1.15 0.21 0.00 -0.60 0.00 0.00 56.93 57.65 3h1r s PHE 84 Cb 0.12 -2.52 0.63 0.00 0.51 0.00 0.00 43.02 41.77 3h1r s PHE 84 CO 0.43 -0.10 1.70 -1.00 0.70 0.00 0.00 175.22 176.95 3h1r h PRO 85 N 1.44 0.00 -0.87 0.24 0.13 -1.94 -3.45 132.00 127.55 3h1r h PRO 85 Ca -0.47 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.88 3h1r h PRO 85 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 3h1r h PRO 85 CO 0.64 0.30 0.11 0.93 -0.23 0.00 0.00 178.00 179.75 3h1r h GLU 86 N 0.00 0.11 0.00 0.86 3.07 -1.80 -3.35 114.58 113.48 3h1r h GLU 86 Ca -0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3h1r h GLU 86 Cb 0.95 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 3h1r h GLU 86 CO 0.04 0.07 0.00 0.41 -1.40 0.00 0.00 179.01 178.13 3h1r n GLY 87 N -1.42 -0.01 3.63 -3.84 0.00 0.16 -4.69 105.19 99.01 3h1r n GLY 87 Ca 0.20 -1.49 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 3h1r n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1r s PHE 88 N 0.00 -0.12 0.05 1.61 -0.71 -0.20 -2.57 117.98 116.04 3h1r s PHE 88 Ca 0.00 -0.02 0.06 0.00 -1.04 0.00 0.00 56.93 55.93 3h1r s PHE 88 Cb 0.00 0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 42.34 3h1r s PHE 88 CO 0.00 -0.40 -0.16 0.95 -1.34 0.00 0.00 175.22 174.27 3h1r s THR 89 N -2.68 1.27 0.08 -4.49 -4.23 -1.18 0.11 115.64 104.52 3h1r s THR 89 Ca 0.12 -1.13 0.05 0.00 -1.18 0.00 0.00 61.69 59.54 3h1r s THR 89 Cb 0.01 -1.15 -0.03 0.00 1.34 0.00 0.00 72.50 72.68 3h1r s THR 89 CO -0.03 0.00 -0.13 -1.66 -0.54 0.00 0.00 174.62 172.26 3h1r s TRP 90 N -0.93 1.15 -0.11 3.99 1.48 -1.00 -2.74 118.94 120.78 3h1r s TRP 90 Ca 0.03 -0.52 -0.05 0.00 -1.06 0.00 0.00 56.10 54.49 3h1r s TRP 90 Cb -0.09 -0.64 0.05 0.00 -1.16 0.00 0.00 33.47 31.64 3h1r s TRP 90 CO 0.02 0.04 0.23 -2.00 -4.06 0.00 0.00 176.95 171.18 3h1r s GLU 91 N -2.11 0.16 0.35 3.25 2.12 -1.00 0.11 118.70 121.58 3h1r s GLU 91 Ca 0.01 0.58 0.03 0.00 0.36 0.00 0.00 54.97 55.95 3h1r s GLU 91 Cb -0.08 -0.12 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 3h1r s GLU 91 CO 0.02 -0.21 0.08 0.50 -0.54 0.00 0.00 175.26 175.11 3h1r s ARG 92 N 1.67 1.75 -0.22 4.30 3.52 0.36 -1.40 118.95 128.92 3h1r s ARG 92 Ca -0.05 -2.01 -0.10 0.00 -0.13 0.00 0.00 55.73 53.43 3h1r s ARG 92 Cb -0.11 -0.75 0.08 0.00 -1.56 0.00 0.00 34.95 32.61 3h1r s ARG 92 CO -0.08 -0.30 0.51 0.54 -0.81 0.00 0.00 175.30 175.16 3h1r s VAL 93 N -3.29 -0.33 -0.18 7.11 0.11 -0.45 -3.04 120.40 120.33 3h1r s VAL 93 Ca 0.31 0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.41 3h1r s VAL 93 Cb 0.06 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 3h1r s VAL 93 CO 0.15 0.03 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.99 3h1r s THR 94 N 2.00 3.39 -0.24 5.04 2.01 0.13 -1.61 115.64 126.36 3h1r s THR 94 Ca -0.07 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 3h1r s THR 94 Cb -0.09 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 3h1r s THR 94 CO -0.15 0.47 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.35 3h1r s THR 95 N 0.90 3.62 0.47 -0.82 2.01 -1.00 0.39 115.64 121.21 3h1r s THR 95 Ca -0.01 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.35 3h1r s THR 95 Cb -0.15 -2.71 -0.07 0.00 0.01 0.00 0.00 72.50 69.58 3h1r s THR 95 CO 0.01 0.33 0.88 -0.31 -0.69 0.00 0.00 174.62 174.84 3h1r s TYR 96 N 1.50 3.47 -0.90 4.92 1.51 0.17 -0.46 117.35 127.56 3h1r s TYR 96 Ca 0.05 1.25 0.04 0.00 -1.01 0.00 0.00 57.07 57.40 3h1r s TYR 96 Cb -0.15 -2.62 0.21 0.00 -0.11 0.00 0.00 41.96 39.29 3h1r s TYR 96 CO -0.01 -0.26 0.86 0.39 -1.11 0.00 0.00 175.55 175.41 3h1r n GLU 97 N -1.52 1.99 -0.37 -0.62 1.02 -0.86 -2.36 120.64 117.91 3h1r n GLU 97 Ca 0.05 -0.82 0.06 0.00 -0.02 0.00 0.00 57.16 56.42 3h1r n GLU 97 Cb 0.54 -1.66 0.10 0.00 -0.02 0.00 0.00 31.44 30.40 3h1r n GLU 97 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h1r n ASP 98 N 0.16 1.50 0.00 1.62 5.68 -1.26 -4.99 116.55 119.26 3h1r n ASP 98 Ca 0.07 -2.81 0.00 0.00 -0.50 0.00 0.00 54.79 51.55 3h1r n ASP 98 Cb 0.47 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3h1r n ASP 98 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h1r n GLY 99 N -0.85 1.76 3.66 6.12 0.00 -1.00 -4.51 105.19 110.38 3h1r n GLY 99 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 3h1r n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1r n GLY 100 N -0.07 1.03 3.05 -0.02 0.00 -1.14 -4.70 105.19 103.34 3h1r n GLY 100 Ca 0.00 0.64 -0.28 0.00 0.00 0.00 0.00 46.02 46.38 3h1r n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1r s VAL 101 N 0.77 1.49 -0.19 1.61 1.01 -0.82 0.45 120.40 124.72 3h1r s VAL 101 Ca 0.78 -0.64 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 3h1r s VAL 101 Cb -0.70 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.33 3h1r s VAL 101 CO 0.40 0.44 -0.15 -0.22 0.00 0.00 0.00 175.10 175.57 3h1r s LEU 102 N 0.99 2.37 -0.11 3.92 2.96 0.16 -1.68 118.68 127.29 3h1r s LEU 102 Ca -0.07 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.25 3h1r s LEU 102 Cb -0.15 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3h1r s LEU 102 CO -0.02 -0.01 -0.03 0.42 -1.32 0.00 0.00 176.35 175.40 3h1r s THR 103 N 1.34 4.01 0.01 3.68 -4.23 -0.20 0.19 115.64 120.45 3h1r s THR 103 Ca 0.05 -0.34 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 3h1r s THR 103 Cb -0.13 -2.71 -0.01 0.00 1.34 0.00 0.00 72.50 70.99 3h1r s THR 103 CO -0.10 0.56 -0.06 0.00 -0.54 0.00 0.00 174.62 174.48 3h1r s ALA 104 N -0.35 0.44 -0.04 3.99 0.00 -1.17 -0.87 121.76 123.76 3h1r s ALA 104 Ca 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.67 3h1r s ALA 104 Cb -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.96 3h1r s ALA 104 CO 0.02 0.06 -0.06 0.95 0.00 0.00 0.00 175.76 176.74 3h1r s THR 105 N -0.48 0.62 0.19 0.00 -4.23 -0.87 -0.49 115.64 110.38 3h1r s THR 105 Ca -0.02 -0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.40 3h1r s THR 105 Cb -0.04 -0.62 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 3h1r s THR 105 CO -0.00 0.24 -0.19 -1.58 -0.54 0.00 0.00 174.62 172.55 3h1r s GLN 106 N 0.77 1.38 -0.08 3.99 -0.44 0.30 -1.83 119.66 123.76 3h1r s GLN 106 Ca -0.11 -1.50 -0.03 0.00 -2.50 0.00 0.00 55.36 51.22 3h1r s GLN 106 Cb -0.14 -1.46 0.04 0.00 -1.64 0.00 0.00 33.01 29.82 3h1r s GLN 106 CO 0.01 0.29 0.10 0.34 0.50 0.00 0.00 175.29 176.53 3h1r s ASP 107 N -2.86 1.23 -0.06 6.67 -1.08 -0.68 -2.39 116.67 117.51 3h1r s ASP 107 Ca 0.19 0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 3h1r s ASP 107 Cb -0.05 -0.02 -0.03 0.00 -1.46 0.00 0.00 42.92 41.36 3h1r s ASP 107 CO 0.08 -0.27 -0.04 -0.89 0.52 0.00 0.00 175.17 174.58 3h1r s THR 108 N 2.21 3.97 0.02 1.71 2.01 0.30 -1.87 115.64 123.99 3h1r s THR 108 Ca 0.04 -0.44 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 3h1r s THR 108 Cb -0.13 -2.67 0.04 0.00 0.01 0.00 0.00 72.50 69.76 3h1r s THR 108 CO -0.05 0.56 0.46 -0.94 -0.69 0.00 0.00 174.62 173.95 3h1r s SER 109 N -0.98 -0.36 -0.22 3.53 1.04 -1.01 -1.04 113.70 114.67 3h1r s SER 109 Ca 0.14 0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.67 3h1r s SER 109 Cb -0.11 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 3h1r s SER 109 CO 0.03 -0.64 -0.03 -0.22 0.98 0.00 0.00 173.24 173.37 3h1r s LEU 110 N -1.79 2.99 -0.34 2.42 2.96 -1.26 -0.72 118.68 122.96 3h1r s LEU 110 Ca -0.07 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 3h1r s LEU 110 Cb -0.01 -1.77 0.14 0.00 0.50 0.00 0.00 46.19 45.05 3h1r s LEU 110 CO 0.00 -0.01 0.28 -1.58 -1.32 0.00 0.00 176.35 173.73 3h1r s GLN 111 N 1.41 0.48 0.00 1.98 2.00 -1.05 -4.94 119.66 119.54 3h1r s GLN 111 Ca 0.05 -0.79 0.00 0.00 -2.00 0.00 0.00 55.36 52.62 3h1r s GLN 111 Cb -0.14 -0.93 0.00 0.00 0.80 0.00 0.00 33.01 32.74 3h1r s GLN 111 CO -0.02 -1.14 0.00 -3.47 -0.50 0.00 0.00 175.29 170.16 3h1r n ASP 112 N 4.56 -0.92 0.00 6.67 2.03 -1.26 -3.83 116.55 123.81 3h1r n ASP 112 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 3h1r n ASP 112 Cb 0.43 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 3h1r n ASP 112 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h1r n GLY 113 N -0.86 2.39 3.89 0.27 0.00 -1.26 -4.99 105.19 104.62 3h1r n GLY 113 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3h1r n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1r s LEU 115 N -1.77 4.40 -0.09 0.00 1.43 -0.49 -2.53 118.68 119.62 3h1r s LEU 115 Ca 0.25 0.57 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 3h1r s LEU 115 Cb -0.12 -2.38 0.00 0.00 0.03 0.00 0.00 46.19 43.72 3h1r s LEU 115 CO 0.16 0.34 -0.22 -0.63 0.23 0.00 0.00 176.35 176.23 3h1r s ILE 116 N -1.14 1.87 -0.11 -0.59 -1.09 0.10 -0.53 121.20 119.70 3h1r s ILE 116 Ca 0.21 -0.91 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 3h1r s ILE 116 Cb -0.13 -1.62 0.00 0.00 -1.58 0.00 0.00 42.46 39.13 3h1r s ILE 116 CO 0.10 0.52 -0.22 -0.31 -1.23 0.00 0.00 174.94 173.80 3h1r s TYR 117 N 0.37 2.62 -0.18 3.97 2.02 -0.77 -2.41 117.35 122.97 3h1r s TYR 117 Ca -0.17 -1.06 0.01 0.00 -0.37 0.00 0.00 57.07 55.48 3h1r s TYR 117 Cb -0.17 -1.75 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 3h1r s TYR 117 CO 0.08 -0.43 -0.18 1.21 -1.57 0.00 0.00 175.55 174.65 3h1r s ASN 118 N 0.45 3.13 -0.06 2.29 3.04 -0.78 -0.43 114.94 122.57 3h1r s ASN 118 Ca -0.15 -0.67 0.03 0.00 0.04 0.00 0.00 52.86 52.10 3h1r s ASN 118 Cb -0.17 -1.41 0.01 0.00 -1.54 0.00 0.00 41.25 38.13 3h1r s ASN 118 CO 0.06 -0.03 -0.16 -0.69 -3.04 0.00 0.00 177.10 173.25 3h1r s VAL 119 N 1.32 1.38 -0.28 -5.21 1.01 0.56 -1.68 120.40 117.50 3h1r s VAL 119 Ca 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 3h1r s VAL 119 Cb -0.14 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3h1r s VAL 119 CO -0.12 0.41 0.10 -0.54 0.00 0.00 0.00 175.10 174.95 3h1r s LYS 120 N 0.41 3.47 0.28 2.72 1.02 -0.76 -1.24 119.74 125.64 3h1r s LYS 120 Ca -0.12 -0.61 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 3h1r s LYS 120 Cb -0.15 -3.42 -0.06 0.00 -0.52 0.00 0.00 37.83 33.68 3h1r s LYS 120 CO 0.04 -0.30 0.59 0.42 -0.92 0.00 0.00 175.35 175.18 3h1r s ILE 121 N 1.60 4.93 -0.27 2.17 -1.09 -0.07 -2.05 121.20 126.42 3h1r s ILE 121 Ca 0.05 0.37 -0.00 0.00 -2.23 0.00 0.00 60.65 58.84 3h1r s ILE 121 Cb -0.16 -3.67 0.14 0.00 -1.58 0.00 0.00 42.46 37.19 3h1r s ILE 121 CO 0.04 -0.23 0.38 -0.60 -1.23 0.00 0.00 174.94 173.30 3h1r s ARG 122 N -3.24 0.37 -0.15 2.79 3.00 -0.05 -2.95 118.95 118.73 3h1r s ARG 122 Ca 0.47 0.26 -0.04 0.00 -1.00 0.00 0.00 55.73 55.42 3h1r s ARG 122 Cb -0.11 -0.44 -0.03 0.00 0.00 0.00 0.00 34.95 34.37 3h1r s ARG 122 CO 0.26 -0.87 -0.01 0.20 0.00 0.00 0.00 175.30 174.88 3h1r s GLY 123 N 2.52 1.78 0.06 8.12 0.00 0.15 -1.04 107.32 118.91 3h1r s GLY 123 Ca 0.11 -0.80 -0.09 0.00 0.00 0.00 0.00 44.72 43.93 3h1r s GLY 123 CO -0.24 -0.15 0.19 -1.34 0.00 0.00 0.00 173.10 171.57 3h1r s VAL 124 N 0.12 0.12 -0.96 1.40 -7.23 -0.67 -0.24 120.40 112.93 3h1r s VAL 124 Ca 0.01 -1.02 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 3h1r s VAL 124 Cb -0.13 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.70 3h1r s VAL 124 CO 0.02 -0.56 0.00 -3.20 -0.31 0.00 0.00 175.10 171.05 3h1r n ASN 125 N 0.34 -3.66 -4.73 4.85 5.15 -1.26 -1.95 115.26 114.00 3h1r n ASN 125 Ca -0.17 0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.41 3h1r n ASN 125 Cb 0.61 -2.82 -0.04 0.00 -0.53 0.00 0.00 39.78 37.00 3h1r n ASN 125 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3h1r s PHE 126 N -2.53 3.52 0.35 1.20 0.08 -1.26 -2.90 117.98 116.44 3h1r s PHE 126 Ca 0.00 1.48 -0.28 0.00 0.12 0.00 0.00 56.93 58.25 3h1r s PHE 126 Cb 0.00 -3.33 -0.10 0.00 -0.57 0.00 0.00 43.02 39.02 3h1r s PHE 126 CO 0.00 -0.87 1.32 -1.25 -0.10 0.00 0.00 175.22 174.31 3h1r s PRO 127 N 0.22 4.28 0.38 0.24 0.04 -1.26 -4.94 135.00 133.95 3h1r s PRO 127 Ca 0.53 2.23 0.20 0.00 0.04 0.00 0.00 61.00 64.00 3h1r s PRO 127 Cb -0.29 -3.01 0.32 0.00 0.04 0.00 0.00 34.50 31.56 3h1r s PRO 127 CO 0.33 -0.26 1.58 0.66 0.04 0.00 0.00 177.00 179.34 3h1r h SER 128 N 3.24 0.00 -0.32 6.66 4.64 -1.97 -2.14 113.55 123.65 3h1r h SER 128 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3h1r h SER 128 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3h1r h SER 128 CO 0.65 0.24 0.00 0.59 -0.87 0.00 0.00 176.83 177.44 3h1r n ASN 129 N -3.18 3.91 -3.54 4.97 4.13 -1.26 -4.42 115.26 115.87 3h1r n ASN 129 Ca 0.03 -2.80 -0.24 0.00 1.68 0.00 0.00 54.58 53.24 3h1r n ASN 129 Cb 0.60 -0.50 0.17 0.00 -1.54 0.00 0.00 39.78 38.51 3h1r n ASN 129 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h1r n GLY 130 N -0.16 -1.61 0.19 7.41 0.00 -0.81 -4.89 105.19 105.33 3h1r n GLY 130 Ca 0.20 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 3h1r n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h1r h PRO 131 N 0.00 0.60 -0.11 1.61 0.13 -1.94 -2.19 132.00 130.09 3h1r h PRO 131 Ca -0.35 -0.54 0.03 0.00 -0.87 0.00 0.00 66.00 64.27 3h1r h PRO 131 Cb 0.98 0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 3h1r h PRO 131 CO 0.25 1.16 -0.08 0.28 -0.23 0.00 0.00 178.00 179.38 3h1r h VAL 132 N 0.38 0.75 0.00 1.56 2.07 -1.95 0.21 116.25 119.27 3h1r h VAL 132 Ca -0.07 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.31 3h1r h VAL 132 Cb 1.47 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 3h1r h VAL 132 CO 0.16 0.00 -0.70 0.24 0.02 0.00 0.00 177.57 177.29 3h1r h MET 133 N -0.09 0.00 -0.01 1.57 2.86 -1.75 -0.27 114.93 117.25 3h1r h MET 133 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3h1r h MET 133 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3h1r h MET 133 CO -0.17 0.70 -0.03 1.04 1.06 0.00 0.00 176.91 179.52 3h1r n GLN 134 N -3.60 1.24 -3.65 1.72 1.13 -0.83 -4.60 117.38 108.79 3h1r n GLN 134 Ca -0.00 -0.48 -0.21 0.00 -1.94 0.00 0.00 57.00 54.36 3h1r n GLN 134 Cb 0.71 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.61 3h1r n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3h1r n LYS 135 N -0.46 -4.84 -1.11 -1.09 5.02 0.67 -4.89 118.16 111.46 3h1r n LYS 135 Ca 0.20 0.65 -0.24 0.00 -2.02 0.00 0.00 58.31 56.90 3h1r n LYS 135 Cb 0.25 -5.23 0.13 0.00 -0.02 0.00 0.00 35.03 30.16 3h1r n LYS 135 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h1r n LYS 136 N -4.21 2.20 -4.27 1.97 4.76 -0.86 -4.97 118.16 112.78 3h1r n LYS 136 Ca -0.28 -2.67 -0.25 0.00 -2.87 0.00 0.00 58.31 52.23 3h1r n LYS 136 Cb 0.67 -2.05 -0.08 0.00 -1.84 0.00 0.00 35.03 31.74 3h1r n LYS 136 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3h1r s THR 137 N -3.26 3.46 -0.28 -0.18 -4.23 -1.26 -1.61 115.64 108.27 3h1r s THR 137 Ca 0.51 -1.71 0.21 0.00 -1.18 0.00 0.00 61.69 59.52 3h1r s THR 137 Cb 0.42 -2.79 0.49 0.00 1.34 0.00 0.00 72.50 71.97 3h1r s THR 137 CO 0.06 -0.23 1.06 0.18 -0.54 0.00 0.00 174.62 175.14 3h1r n LEU 138 N -0.44 1.62 0.00 4.79 4.77 0.13 -4.80 117.00 123.07 3h1r n LEU 138 Ca -0.08 -3.31 0.00 0.00 -0.03 0.00 0.00 56.01 52.58 3h1r n LEU 138 Cb 0.57 0.44 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 3h1r n LEU 138 CO 0.39 1.24 0.00 0.61 -1.33 0.00 0.00 177.39 178.30 3h1r n GLY 139 N -0.41 -0.53 3.89 -0.72 0.00 -1.26 -4.57 105.19 101.58 3h1r n GLY 139 Ca 0.09 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 3h1r n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h1r s TRP 140 N -2.09 3.52 0.80 1.61 0.52 -1.26 0.26 118.94 122.30 3h1r s TRP 140 Ca 0.00 0.64 -0.12 0.00 0.02 0.00 0.00 56.10 56.64 3h1r s TRP 140 Cb 0.00 -2.06 0.07 0.00 -1.15 0.00 0.00 33.47 30.33 3h1r s TRP 140 CO 0.00 0.47 1.13 -1.21 0.02 0.00 0.00 176.95 177.36 3h1r s GLU 141 N -2.34 2.04 0.68 4.98 0.41 0.17 -4.83 118.70 119.81 3h1r s GLU 141 Ca 0.37 0.37 -0.13 0.00 -0.41 0.00 0.00 54.97 55.18 3h1r s GLU 141 Cb -0.13 -1.94 0.01 0.00 -1.78 0.00 0.00 34.13 30.29 3h1r s GLU 141 CO 0.22 -1.59 1.07 0.00 -0.49 0.00 0.00 175.26 174.47 3h1r s ALA 142 N -3.35 2.56 0.20 5.21 0.00 -1.26 -4.67 121.76 120.46 3h1r s ALA 142 Ca 0.61 0.27 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 3h1r s ALA 142 Cb -0.13 -3.23 0.03 0.00 0.00 0.00 0.00 23.12 19.79 3h1r s ALA 142 CO 0.52 -1.26 0.57 -3.38 0.00 0.00 0.00 175.76 172.22 3h1r s HIS 143 N -2.76 -0.21 -0.06 0.00 -3.43 -0.94 -4.81 115.29 103.08 3h1r s HIS 143 Ca 0.61 -0.13 0.03 0.00 -0.80 0.00 0.00 55.06 54.77 3h1r s HIS 143 Cb -0.16 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 31.47 3h1r s HIS 143 CO 0.49 -0.96 -0.15 0.99 -2.00 0.00 0.00 174.74 173.11 3h1r s THR 144 N -3.86 1.29 -0.09 -5.38 2.01 -1.26 0.21 115.64 108.55 3h1r s THR 144 Ca 0.08 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.49 3h1r s THR 144 Cb -0.02 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 3h1r s THR 144 CO -0.03 0.38 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.49 3h1r s GLU 145 N 0.40 2.99 -0.13 4.92 2.12 0.11 -4.54 118.70 124.58 3h1r s GLU 145 Ca -0.11 -0.61 -0.11 0.00 0.36 0.00 0.00 54.97 54.50 3h1r s GLU 145 Cb -0.14 -2.60 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 3h1r s GLU 145 CO 0.03 0.48 0.22 1.41 -0.54 0.00 0.00 175.26 176.87 3h1r s MET 146 N -0.33 3.90 0.04 4.30 -2.45 -0.26 -0.85 119.30 123.66 3h1r s MET 146 Ca 0.04 -0.00 0.01 0.00 -1.25 0.00 0.00 55.69 54.49 3h1r s MET 146 Cb -0.13 -3.31 -0.03 0.00 1.25 0.00 0.00 34.83 32.62 3h1r s MET 146 CO 0.02 0.51 -0.06 -0.51 1.05 0.00 0.00 175.02 176.04 3h1r s LEU 147 N -0.32 2.29 -0.30 4.11 1.02 0.20 -0.47 118.68 125.21 3h1r s LEU 147 Ca 0.15 -0.61 -0.16 0.00 0.02 0.00 0.00 54.13 53.53 3h1r s LEU 147 Cb -0.13 -0.04 0.17 0.00 0.02 0.00 0.00 46.19 46.22 3h1r s LEU 147 CO 0.04 -0.29 1.09 -0.72 0.02 0.00 0.00 176.35 176.49 3h1r s TYR 148 N -1.80 -0.41 0.80 0.29 1.13 -0.99 -0.80 117.35 115.57 3h1r s TYR 148 Ca -0.09 0.77 -0.15 0.00 -1.41 0.00 0.00 57.07 56.19 3h1r s TYR 148 Cb -0.07 0.25 -0.01 0.00 -1.10 0.00 0.00 41.96 41.03 3h1r s TYR 148 CO -0.01 -0.20 0.56 -0.35 -2.51 0.00 0.00 175.55 173.03 3h1r n PRO 149 N 4.09 0.12 -3.12 -3.49 -0.04 -1.25 -2.35 135.00 128.96 3h1r n PRO 149 Ca -0.13 0.09 0.04 0.00 -0.04 0.00 0.00 63.50 63.46 3h1r n PRO 149 Cb 0.55 -1.90 -0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3h1r n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1r s ALA 150 N -2.07 -3.27 0.00 0.55 0.00 -0.30 -4.67 121.76 111.99 3h1r s ALA 150 Ca 0.64 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.73 3h1r s ALA 150 Cb -0.30 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.10 3h1r s ALA 150 CO 0.60 -2.03 0.00 -3.47 0.00 0.00 0.00 175.76 170.86 3h1r n ASP 151 N 5.06 -1.94 0.00 0.00 2.03 -1.26 -3.76 116.55 116.69 3h1r n ASP 151 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 3h1r n ASP 151 Cb 0.57 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 3h1r n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h1r n GLY 152 N -0.58 0.34 0.00 0.27 0.00 -1.26 -4.99 105.19 98.97 3h1r n GLY 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h1r n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1r n GLY 153 N -2.00 4.93 3.03 -0.02 0.00 -1.25 -4.38 105.19 105.50 3h1r n GLY 153 Ca 0.00 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.65 3h1r n GLY 153 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h1r s LEU 154 N 0.00 1.79 -0.03 0.99 2.96 0.22 -1.15 118.68 123.46 3h1r s LEU 154 Ca 0.00 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 3h1r s LEU 154 Cb 0.00 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 3h1r s LEU 154 CO 0.00 0.08 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.46 3h1r s GLU 155 N 0.21 2.71 0.14 1.98 0.41 -0.99 0.95 118.70 124.11 3h1r s GLU 155 Ca -0.04 -0.61 0.08 0.00 -0.41 0.00 0.00 54.97 53.99 3h1r s GLU 155 Cb -0.10 -2.60 -0.04 0.00 -1.78 0.00 0.00 34.13 29.61 3h1r s GLU 155 CO 0.01 0.64 -0.19 0.20 -0.49 0.00 0.00 175.26 175.43 3h1r s GLY 156 N -1.23 1.33 -0.09 -1.39 0.00 0.16 -2.34 107.32 103.77 3h1r s GLY 156 Ca 0.16 -1.40 -0.06 0.00 0.00 0.00 0.00 44.72 43.42 3h1r s GLY 156 CO 0.06 -1.44 0.21 0.50 0.00 0.00 0.00 173.10 172.43 3h1r s ARG 157 N -2.52 0.20 -0.00 2.90 1.81 0.38 -2.15 118.95 119.56 3h1r s ARG 157 Ca 0.12 0.40 -0.28 0.00 -1.72 0.00 0.00 55.73 54.25 3h1r s ARG 157 Cb -0.07 -0.03 0.09 0.00 -0.45 0.00 0.00 34.95 34.49 3h1r s ARG 157 CO 0.06 -0.11 0.78 0.00 -0.68 0.00 0.00 175.30 175.35 3h1r s ALA 158 N 0.76 -1.77 -0.10 2.13 0.00 -0.98 -1.10 121.76 120.70 3h1r s ALA 158 Ca -0.05 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.00 3h1r s ALA 158 Cb -0.07 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.25 3h1r s ALA 158 CO -0.04 -0.55 -0.19 -0.51 0.00 0.00 0.00 175.76 174.47 3h1r s ASP 159 N -1.94 3.54 0.26 0.00 1.01 -1.26 -0.23 116.67 118.06 3h1r s ASP 159 Ca -0.02 -0.43 0.10 0.00 0.71 0.00 0.00 52.55 52.92 3h1r s ASP 159 Cb -0.01 -1.37 -0.04 0.00 1.01 0.00 0.00 42.92 42.51 3h1r s ASP 159 CO -0.03 0.19 -0.06 -0.76 0.21 0.00 0.00 175.17 174.72 3h1r s LEU 160 N 0.19 3.02 -0.08 1.23 1.02 -1.07 -4.71 118.68 118.28 3h1r s LEU 160 Ca -0.11 -0.74 0.03 0.00 0.02 0.00 0.00 54.13 53.33 3h1r s LEU 160 Cb -0.16 -1.56 0.01 0.00 0.02 0.00 0.00 46.19 44.50 3h1r s LEU 160 CO 0.06 0.02 -0.15 0.00 0.02 0.00 0.00 176.35 176.30 3h1r s ALA 161 N -2.32 1.47 -0.26 4.21 0.00 -1.26 -1.91 121.76 121.69 3h1r s ALA 161 Ca 0.30 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 3h1r s ALA 161 Cb -0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.37 3h1r s ALA 161 CO 0.18 0.13 0.17 -1.17 0.00 0.00 0.00 175.76 175.07 3h1r s LEU 162 N 0.64 4.05 0.48 0.00 2.96 -0.96 0.45 118.68 126.30 3h1r s LEU 162 Ca -0.15 0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.62 3h1r s LEU 162 Cb -0.16 -2.11 -0.09 0.00 0.50 0.00 0.00 46.19 44.34 3h1r s LEU 162 CO 0.04 0.01 0.99 -0.54 -1.32 0.00 0.00 176.35 175.53 3h1r s LYS 163 N 1.41 3.95 0.10 1.98 1.02 0.14 -2.00 119.74 126.34 3h1r s LYS 163 Ca 0.07 1.15 0.04 0.00 0.02 0.00 0.00 55.97 57.26 3h1r s LYS 163 Cb -0.15 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 3h1r s LYS 163 CO 0.08 -0.28 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.60 3h1r s LEU 164 N -3.62 2.39 0.01 3.17 1.43 -1.06 0.21 118.68 121.21 3h1r s LEU 164 Ca 0.63 -0.79 -0.30 0.00 -1.03 0.00 0.00 54.13 52.64 3h1r s LEU 164 Cb -0.12 -0.38 -0.07 0.00 0.03 0.00 0.00 46.19 45.65 3h1r s LEU 164 CO 0.22 -0.21 1.62 -0.69 0.23 0.00 0.00 176.35 177.52 3h1r s VAL 165 N -2.24 3.36 0.00 -1.59 1.01 -0.63 -1.22 120.40 119.08 3h1r s VAL 165 Ca 0.05 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.69 3h1r s VAL 165 Cb -0.04 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.92 3h1r s VAL 165 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3h1r n GLY 166 N 4.01 1.13 0.00 4.51 0.00 -1.26 -4.87 105.19 108.71 3h1r n GLY 166 Ca 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3h1r n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1r n GLY 167 N 0.00 0.60 0.00 -0.02 0.00 -0.36 -5.09 105.19 100.32 3h1r n GLY 167 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h1r n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1r n GLY 168 N -1.23 1.05 3.27 -0.02 0.00 -1.26 -4.81 105.19 102.19 3h1r n GLY 168 Ca 0.00 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 3h1r n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h1r s HIS 169 N 1.37 0.30 -0.07 1.61 0.09 -1.26 -2.55 115.29 114.78 3h1r s HIS 169 Ca 0.00 -0.69 0.04 0.00 -0.00 0.00 0.00 55.06 54.41 3h1r s HIS 169 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 32.58 32.51 3h1r s HIS 169 CO 0.00 -0.63 -0.19 -1.17 -0.00 0.00 0.00 174.74 172.75 3h1r s LEU 170 N -2.92 1.92 0.29 0.89 2.96 -0.85 -4.96 118.68 116.01 3h1r s LEU 170 Ca 0.12 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3h1r s LEU 170 Cb 0.04 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3h1r s LEU 170 CO -0.05 0.14 0.48 -0.63 -1.32 0.00 0.00 176.35 174.96 3h1r s ILE 171 N 0.26 5.15 0.05 6.68 1.09 -1.26 -2.26 121.20 130.91 3h1r s ILE 171 Ca -0.11 -0.49 -0.11 0.00 -1.10 0.00 0.00 60.65 58.83 3h1r s ILE 171 Cb -0.15 -3.82 0.01 0.00 -1.06 0.00 0.00 42.46 37.44 3h1r s ILE 171 CO 0.05 -0.41 0.25 0.00 -0.10 0.00 0.00 174.94 174.72 3h1r s ASN 173 N -2.18 6.43 -0.19 0.00 3.04 0.39 -2.61 114.94 119.83 3h1r s ASN 173 Ca -0.04 0.50 -0.01 0.00 0.04 0.00 0.00 52.86 53.35 3h1r s ASN 173 Cb -0.00 -2.08 0.00 0.00 -1.54 0.00 0.00 41.25 37.63 3h1r s ASN 173 CO -0.05 0.36 -0.12 -0.36 -3.04 0.00 0.00 177.10 173.90 3h1r s PHE 174 N -1.11 2.86 -0.26 0.43 0.40 0.69 -2.36 117.98 118.63 3h1r s PHE 174 Ca 0.19 -1.18 -0.04 0.00 -0.60 0.00 0.00 56.93 55.29 3h1r s PHE 174 Cb -0.13 -2.00 0.01 0.00 0.51 0.00 0.00 43.02 41.42 3h1r s PHE 174 CO 0.08 -0.61 -0.00 0.15 0.70 0.00 0.00 175.22 175.54 3h1r s LYS 175 N 1.26 3.11 0.00 0.44 1.02 -0.64 -2.31 119.74 122.62 3h1r s LYS 175 Ca 0.03 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.26 3h1r s LYS 175 Cb -0.14 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.01 3h1r s LYS 175 CO -0.06 -0.35 -0.17 0.99 -0.92 0.00 0.00 175.35 174.84 3h1r s THR 176 N 1.44 1.35 -0.10 2.17 2.01 -0.91 -1.34 115.64 120.25 3h1r s THR 176 Ca 0.03 -0.83 0.02 0.00 0.31 0.00 0.00 61.69 61.23 3h1r s THR 176 Cb -0.16 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.22 3h1r s THR 176 CO -0.01 0.30 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.16 3h1r s THR 177 N -0.51 1.58 -0.35 -0.82 2.01 -0.49 0.40 115.64 117.46 3h1r s THR 177 Ca 0.06 -0.71 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 3h1r s THR 177 Cb -0.07 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.02 3h1r s THR 177 CO -0.00 0.46 0.19 -0.31 -0.69 0.00 0.00 174.62 174.27 3h1r s TYR 178 N 0.81 3.21 -0.09 4.92 2.02 0.27 -2.38 117.35 126.12 3h1r s TYR 178 Ca -0.10 -0.68 -0.03 0.00 -0.37 0.00 0.00 57.07 55.89 3h1r s TYR 178 Cb -0.16 -2.42 -0.03 0.00 -0.40 0.00 0.00 41.96 38.95 3h1r s TYR 178 CO 0.01 -0.53 0.04 1.03 -1.57 0.00 0.00 175.55 174.53 3h1r s ARG 179 N 1.61 3.08 0.25 -0.62 0.52 -1.11 0.70 118.95 123.37 3h1r s ARG 179 Ca 0.04 -0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 54.59 3h1r s ARG 179 Cb -0.18 -2.88 -0.09 0.00 0.52 0.00 0.00 34.95 32.32 3h1r s ARG 179 CO 0.07 0.71 1.03 0.45 0.02 0.00 0.00 175.30 177.59 3h1r s SER 180 N -0.98 7.42 -0.32 0.23 0.15 -1.26 -3.07 113.70 115.87 3h1r s SER 180 Ca 0.14 2.12 0.03 0.00 0.70 0.00 0.00 55.95 58.94 3h1r s SER 180 Cb -0.11 -2.62 0.49 0.00 -1.71 0.00 0.00 66.02 62.07 3h1r s SER 180 CO 0.03 -0.03 1.66 1.17 1.20 0.00 0.00 173.24 177.27 3h1r n LYS 181 N 1.47 1.98 -3.67 5.44 4.81 -1.06 -4.75 118.16 122.38 3h1r n LYS 181 Ca -0.01 -2.19 -0.14 0.00 -0.87 0.00 0.00 58.31 55.11 3h1r n LYS 181 Cb 0.46 -1.86 -0.13 0.00 0.02 0.00 0.00 35.03 33.51 3h1r n LYS 181 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3h1r s LYS 182 N -2.39 0.14 0.08 1.64 2.20 -1.26 -4.60 119.74 115.56 3h1r s LYS 182 Ca 0.41 0.71 -0.34 0.00 -0.36 0.00 0.00 55.97 56.40 3h1r s LYS 182 Cb 0.35 -0.06 -0.13 0.00 -1.51 0.00 0.00 37.83 36.47 3h1r s LYS 182 CO 0.08 -0.27 1.67 -2.30 -0.36 0.00 0.00 175.35 174.17 3h1r n PRO 183 N 5.24 2.15 0.00 4.03 -0.02 -1.26 -4.86 135.00 140.27 3h1r n PRO 183 Ca -0.08 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3h1r n PRO 183 Cb 0.50 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3h1r n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1r n ALA 184 N 4.41 0.00 0.00 3.55 0.00 -1.26 -1.33 120.51 125.88 3h1r n ALA 184 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3h1r n ALA 184 Cb 0.29 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.90 3h1r n ALA 184 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h1r n LYS 185 N -2.10 0.00 -0.03 0.00 5.02 -1.26 0.33 118.16 120.12 3h1r n LYS 185 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 3h1r n LYS 185 Cb 0.00 0.00 0.52 0.00 -0.02 0.00 0.00 35.03 35.53 3h1r n LYS 185 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3h1r n ASN 186 N -2.13 0.66 -3.69 4.39 3.02 -0.44 -4.82 115.26 112.24 3h1r n ASN 186 Ca 0.00 -1.49 -0.15 0.00 -0.03 0.00 0.00 54.58 52.91 3h1r n ASN 186 Cb 0.00 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 38.99 3h1r n ASN 186 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h1r s LEU 187 N -1.64 0.12 0.10 3.41 1.02 0.98 -4.93 118.68 117.75 3h1r s LEU 187 Ca 0.32 0.41 -0.31 0.00 0.02 0.00 0.00 54.13 54.56 3h1r s LEU 187 Cb 0.16 0.45 -0.07 0.00 0.02 0.00 0.00 46.19 46.74 3h1r s LEU 187 CO 0.25 -0.21 1.37 -0.75 0.02 0.00 0.00 176.35 177.03 3h1r s LYS 188 N 1.93 4.33 0.55 1.70 2.20 -1.26 -4.98 119.74 124.21 3h1r s LYS 188 Ca -0.02 2.03 -0.08 0.00 -0.36 0.00 0.00 55.97 57.55 3h1r s LYS 188 Cb -0.12 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 3h1r s LYS 188 CO -0.07 -0.43 0.89 -1.64 -0.36 0.00 0.00 175.35 173.75 3h1r s MET 189 N 1.20 3.49 0.15 4.03 -1.94 -1.26 -4.75 119.30 120.22 3h1r s MET 189 Ca 0.64 0.39 0.00 0.00 -1.71 0.00 0.00 55.69 55.02 3h1r s MET 189 Cb -0.36 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 3h1r s MET 189 CO 0.30 -0.40 0.31 -2.14 -0.01 0.00 0.00 175.02 173.08 3h1r s PRO 190 N -4.94 3.48 0.00 2.03 0.02 -1.26 -4.89 135.00 129.43 3h1r s PRO 190 Ca 0.51 -0.44 0.00 0.00 0.02 0.00 0.00 61.00 61.09 3h1r s PRO 190 Cb -0.11 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.49 3h1r s PRO 190 CO 0.48 0.49 0.00 0.41 -0.33 0.00 0.00 177.00 178.06 3h1r n GLY 191 N -0.39 -3.05 3.83 0.52 0.00 -1.26 -4.28 105.19 100.56 3h1r n GLY 191 Ca -0.05 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3h1r n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1r s VAL 192 N 0.00 5.31 0.32 1.61 1.01 -1.26 -3.84 120.40 123.54 3h1r s VAL 192 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 3h1r s VAL 192 Cb 0.00 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.87 3h1r s VAL 192 CO 0.00 0.55 0.56 0.00 0.00 0.00 0.00 175.10 176.21 3h1r n TYR 193 N 2.32 -1.81 -4.07 5.22 4.11 0.02 -4.95 117.16 118.00 3h1r n TYR 193 Ca -0.16 -1.74 -0.14 0.00 -0.00 0.00 0.00 57.90 55.86 3h1r n TYR 193 Cb 0.53 0.65 -0.14 0.00 -0.00 0.00 0.00 39.34 40.39 3h1r n TYR 193 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 3h1r s TYR 194 N -3.27 0.41 -0.04 -3.48 2.02 -0.93 0.60 117.35 112.65 3h1r s TYR 194 Ca 0.18 -0.18 0.06 0.00 -0.37 0.00 0.00 57.07 56.76 3h1r s TYR 194 Cb -0.03 -0.26 -0.01 0.00 -0.40 0.00 0.00 41.96 41.27 3h1r s TYR 194 CO 0.13 -0.03 -0.21 0.08 -1.57 0.00 0.00 175.55 173.95 3h1r s VAL 195 N -0.43 1.73 -0.16 0.71 1.01 -0.03 -1.37 120.40 121.85 3h1r s VAL 195 Ca -0.02 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3h1r s VAL 195 Cb -0.04 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3h1r s VAL 195 CO -0.00 0.49 -0.03 -1.81 0.00 0.00 0.00 175.10 173.75 3h1r s ASP 196 N -0.18 4.83 0.34 3.32 1.01 0.17 0.10 116.67 126.27 3h1r s ASP 196 Ca -0.01 -0.13 0.09 0.00 0.71 0.00 0.00 52.55 53.21 3h1r s ASP 196 Cb -0.11 -1.80 -0.05 0.00 1.01 0.00 0.00 42.92 41.97 3h1r s ASP 196 CO 0.02 0.15 0.08 -0.31 0.21 0.00 0.00 175.17 175.33 3h1r s TYR 197 N 0.46 2.63 -0.20 4.23 1.51 0.55 -1.54 117.35 125.00 3h1r s TYR 197 Ca -0.03 -0.41 -0.04 0.00 -1.01 0.00 0.00 57.07 55.58 3h1r s TYR 197 Cb -0.14 -1.58 0.09 0.00 -0.11 0.00 0.00 41.96 40.22 3h1r s TYR 197 CO 0.03 0.40 0.23 0.50 -1.11 0.00 0.00 175.55 175.60 3h1r s ARG 198 N -3.79 0.20 -0.14 -0.62 3.52 -0.55 -2.22 118.95 115.35 3h1r s ARG 198 Ca 0.36 0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 56.18 3h1r s ARG 198 Cb -0.01 -1.10 -0.03 0.00 -1.56 0.00 0.00 34.95 32.25 3h1r s ARG 198 CO 0.21 -0.64 -0.03 -1.17 -0.81 0.00 0.00 175.30 172.87 3h1r s LEU 199 N 2.34 3.32 0.11 -0.88 0.20 -1.26 -1.92 118.68 120.60 3h1r s LEU 199 Ca 0.07 -0.06 0.04 0.00 0.69 0.00 0.00 54.13 54.87 3h1r s LEU 199 Cb -0.16 -1.79 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 3h1r s LEU 199 CO -0.12 0.22 -0.11 -1.61 -0.29 0.00 0.00 176.35 174.45 3h1r s GLU 200 N 0.03 0.93 -0.24 1.98 2.02 0.22 -4.63 118.70 119.01 3h1r s GLU 200 Ca 0.01 -1.24 -0.09 0.00 0.02 0.00 0.00 54.97 53.67 3h1r s GLU 200 Cb -0.13 -0.61 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 3h1r s GLU 200 CO 0.02 0.09 0.12 0.50 0.02 0.00 0.00 175.26 176.02 3h1r s ARG 201 N -3.00 3.87 -0.05 1.61 6.06 -1.26 -0.81 118.95 125.37 3h1r s ARG 201 Ca 0.09 -0.37 0.14 0.00 -2.50 0.00 0.00 55.73 53.08 3h1r s ARG 201 Cb -0.02 -3.44 -0.20 0.00 0.06 0.00 0.00 34.95 31.35 3h1r s ARG 201 CO 0.01 -0.05 0.24 -0.89 -2.50 0.00 0.00 175.30 172.10 3h1r n ILE 202 N 4.59 0.23 -3.53 4.11 2.08 0.15 -4.94 119.36 122.05 3h1r n ILE 202 Ca -0.15 -0.38 -0.16 0.00 0.56 0.00 0.00 62.75 62.61 3h1r n ILE 202 Cb 0.52 -0.03 -0.06 0.00 -0.75 0.00 0.00 39.64 39.32 3h1r n ILE 202 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3h1r s LYS 203 N -2.81 0.97 0.19 0.38 2.20 -0.97 -4.96 119.74 114.73 3h1r s LYS 203 Ca -0.05 0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 3h1r s LYS 203 Cb 0.08 0.46 -0.04 0.00 -1.51 0.00 0.00 37.83 36.81 3h1r s LYS 203 CO 0.57 -0.30 0.08 -1.83 -0.36 0.00 0.00 175.35 173.51 3h1r s GLU 204 N -1.13 1.15 0.12 4.03 4.04 -1.26 0.12 118.70 125.77 3h1r s GLU 204 Ca -0.09 -1.59 -0.21 0.00 0.04 0.00 0.00 54.97 53.13 3h1r s GLU 204 Cb -0.00 0.03 0.05 0.00 0.02 0.00 0.00 34.13 34.23 3h1r s GLU 204 CO 0.08 -0.28 0.51 0.00 -1.84 0.00 0.00 175.26 173.74 3h1r s ALA 205 N -3.93 -1.31 -1.16 -0.84 0.00 0.03 -4.96 121.76 109.60 3h1r s ALA 205 Ca 0.31 0.35 -0.17 0.00 0.00 0.00 0.00 51.96 52.46 3h1r s ALA 205 Cb 0.07 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 3h1r s ALA 205 CO 0.08 -0.66 0.77 -0.25 0.00 0.00 0.00 175.76 175.71 3h1r n ASP 206 N -0.11 -4.80 -4.07 0.00 8.00 -1.26 -2.33 116.55 111.97 3h1r n ASP 206 Ca -0.17 -0.98 -0.32 0.00 0.71 0.00 0.00 54.79 54.03 3h1r n ASP 206 Cb 0.63 -3.57 -0.03 0.00 -0.02 0.00 0.00 41.12 38.13 3h1r n ASP 206 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3h1r n LYS 207 N -4.12 -1.62 -1.31 -1.24 4.76 -1.26 -1.92 118.16 111.45 3h1r n LYS 207 Ca -0.12 0.23 -0.11 0.00 -2.87 0.00 0.00 58.31 55.45 3h1r n LYS 207 Cb 0.61 -3.75 -0.05 0.00 -1.84 0.00 0.00 35.03 30.00 3h1r n LYS 207 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3h1r n GLU 208 N -4.57 -0.84 0.07 1.97 1.02 -0.99 -4.56 120.64 112.74 3h1r n GLU 208 Ca -0.25 0.85 0.13 0.00 -0.02 0.00 0.00 57.16 57.87 3h1r n GLU 208 Cb 0.66 -4.83 0.47 0.00 -0.02 0.00 0.00 31.44 27.71 3h1r n GLU 208 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3h1r n THR 209 N -2.64 0.40 -4.07 2.62 -2.24 -0.81 -4.56 114.28 102.99 3h1r n THR 209 Ca -0.11 -0.19 -0.26 0.00 -2.27 0.00 0.00 64.05 61.22 3h1r n THR 209 Cb 0.37 -0.55 -0.17 0.00 -2.10 0.00 0.00 70.33 67.89 3h1r n THR 209 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3h1r s TYR 210 N -3.07 1.46 -0.00 4.78 6.14 -1.05 0.21 117.35 125.82 3h1r s TYR 210 Ca 0.12 -0.68 0.04 0.00 0.64 0.00 0.00 57.07 57.19 3h1r s TYR 210 Cb 0.14 -1.18 -0.01 0.00 0.42 0.00 0.00 41.96 41.33 3h1r s TYR 210 CO 0.58 -0.45 -0.13 0.08 0.64 0.00 0.00 175.55 176.27 3h1r s VAL 211 N 1.44 1.00 -0.14 3.14 1.01 0.13 -0.79 120.40 126.20 3h1r s VAL 211 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3h1r s VAL 211 Cb -0.13 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 3h1r s VAL 211 CO -0.05 0.23 -0.14 -0.70 0.00 0.00 0.00 175.10 174.43 3h1r s GLU 212 N -0.44 3.31 0.00 2.72 2.12 0.12 -0.96 118.70 125.57 3h1r s GLU 212 Ca 0.04 -0.72 0.05 0.00 0.36 0.00 0.00 54.97 54.71 3h1r s GLU 212 Cb -0.05 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.71 3h1r s GLU 212 CO -0.00 0.15 -0.17 -1.14 -0.54 0.00 0.00 175.26 173.56 3h1r s GLN 213 N 0.49 1.27 0.08 4.30 0.74 -0.74 0.34 119.66 126.15 3h1r s GLN 213 Ca -0.10 -0.66 0.07 0.00 0.05 0.00 0.00 55.36 54.72 3h1r s GLN 213 Cb -0.16 -1.26 -0.03 0.00 1.10 0.00 0.00 33.01 32.66 3h1r s GLN 213 CO 0.04 0.34 -0.18 -1.58 -0.55 0.00 0.00 175.29 173.36 3h1r s HIS 214 N -0.51 1.55 -0.12 1.67 5.65 0.01 -1.00 115.29 122.53 3h1r s HIS 214 Ca 0.06 -0.42 -0.08 0.00 0.25 0.00 0.00 55.06 54.86 3h1r s HIS 214 Cb -0.07 -0.87 0.04 0.00 -1.18 0.00 0.00 32.58 30.50 3h1r s HIS 214 CO -0.00 0.13 0.31 -2.00 -0.65 0.00 0.00 174.74 172.52 3h1r s GLU 215 N -1.70 0.31 -0.13 2.88 2.12 0.90 -0.61 118.70 122.48 3h1r s GLU 215 Ca 0.03 0.53 -0.00 0.00 0.36 0.00 0.00 54.97 55.89 3h1r s GLU 215 Cb -0.10 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 3h1r s GLU 215 CO 0.03 -0.11 -0.12 0.54 -0.54 0.00 0.00 175.26 175.07 3h1r s VAL 216 N 0.80 3.20 -0.04 3.70 0.11 -0.81 -1.95 120.40 125.40 3h1r s VAL 216 Ca -0.05 -0.61 0.04 0.00 -2.93 0.00 0.00 61.98 58.42 3h1r s VAL 216 Cb -0.06 -2.35 -0.00 0.00 -1.53 0.00 0.00 36.38 32.44 3h1r s VAL 216 CO -0.05 0.53 -0.15 0.00 -3.33 0.00 0.00 175.10 172.09 3h1r s ALA 217 N 0.26 1.35 -0.05 1.54 0.00 -1.01 -1.49 121.76 122.36 3h1r s ALA 217 Ca -0.08 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.31 3h1r s ALA 217 Cb -0.15 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3h1r s ALA 217 CO 0.05 0.24 -0.12 0.08 0.00 0.00 0.00 175.76 176.01 3h1r s VAL 218 N 0.08 1.09 -0.16 0.00 1.01 -0.59 -1.54 120.40 120.29 3h1r s VAL 218 Ca -0.04 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 3h1r s VAL 218 Cb -0.11 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3h1r s VAL 218 CO 0.02 0.34 0.07 0.00 0.00 0.00 0.00 175.10 175.53 3h1r s ALA 219 N 0.41 3.51 0.25 5.51 0.00 -0.49 -0.66 121.76 130.29 3h1r s ALA 219 Ca -0.09 -0.73 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 3h1r s ALA 219 Cb -0.13 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.13 3h1r s ALA 219 CO 0.02 0.33 0.67 -0.98 0.00 0.00 0.00 175.76 175.80 3h1r s ARG 220 N -0.09 1.65 0.49 0.00 1.70 -0.47 -2.09 118.95 120.14 3h1r s ARG 220 Ca 0.07 -0.89 -0.04 0.00 -0.47 0.00 0.00 55.73 54.41 3h1r s ARG 220 Cb -0.12 0.60 0.10 0.00 -0.57 0.00 0.00 34.95 34.96 3h1r s ARG 220 CO 0.01 -0.75 0.67 0.66 -1.08 0.00 0.00 175.30 174.82 3h1r n TYR 221 N -0.43 -3.43 -2.16 5.89 4.02 -1.26 -2.19 117.16 117.60 3h1r n TYR 221 Ca -0.07 -0.94 -0.28 0.00 -0.01 0.00 0.00 57.90 56.61 3h1r n TYR 221 Cb 0.61 -0.50 0.05 0.00 -0.02 0.00 0.00 39.34 39.47 3h1r n TYR 221 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3h1r n ASP 223 N -2.86 0.00 -4.61 0.00 10.43 -1.26 -5.00 116.55 113.26 3h1r n ASP 223 Ca 0.06 -0.04 -0.61 0.00 2.57 0.00 0.00 54.79 56.77 3h1r n ASP 223 Cb 0.59 0.05 -0.08 0.00 1.84 0.00 0.00 41.12 43.51 3h1r n ASP 223 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3h1r n LEU 224 N -0.05 0.78 0.00 0.64 4.77 -1.26 -4.92 117.00 116.96 3h1r n LEU 224 Ca 0.00 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 3h1r n LEU 224 Cb 0.00 -0.96 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 3h1r n LEU 224 CO 0.00 -1.34 0.00 -0.81 -1.33 0.00 0.00 177.39 173.91 3h1r n PRO 225 N 2.74 0.81 -3.15 3.23 -0.04 -1.26 -5.04 135.00 132.29 3h1r n PRO 225 Ca 0.24 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 3h1r n PRO 225 Cb 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.51 3h1r n PRO 225 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3h1r s SER 226 N -2.10 -0.96 0.00 3.54 0.15 -1.26 -5.00 113.70 108.07 3h1r s SER 226 Ca 0.00 0.37 0.06 0.00 0.70 0.00 0.00 55.95 57.09 3h1r s SER 226 Cb 0.00 1.71 0.38 0.00 -1.71 0.00 0.00 66.02 66.40 3h1r s SER 226 CO 0.00 -0.18 0.79 0.29 1.20 0.00 0.00 173.24 175.34 3h1r n LYS 227 N 5.37 0.37 0.00 5.44 5.02 -1.26 -5.30 118.16 127.81 3h1r n LYS 227 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 3h1r n LYS 227 Cb 0.54 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 3h1r n LYS 227 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16