#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1o h LEU 4 N 0.00 0.93 -8.61 -1.84 3.38 -1.97 -3.38 115.31 103.82 3h1o h LEU 4 Ca 0.00 -0.02 -0.69 0.00 0.09 0.00 0.00 57.88 57.27 3h1o h LEU 4 Cb 0.00 -0.22 -0.20 0.00 0.09 0.00 0.00 40.66 40.32 3h1o h LEU 4 CO 0.00 0.66 -0.49 -0.63 0.09 0.00 0.00 178.44 178.07 3h1o s ILE 5 N -5.92 5.09 0.41 1.22 -1.09 -1.26 -4.95 121.20 114.70 3h1o s ILE 5 Ca -0.11 -0.40 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 3h1o s ILE 5 Cb 0.18 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3h1o s ILE 5 CO 0.79 -0.07 0.57 0.42 -1.23 0.00 0.00 174.94 175.43 3h1o s THR 6 N 1.68 3.60 0.50 2.92 -4.23 -1.26 -4.99 115.64 113.86 3h1o s THR 6 Ca 0.05 -0.86 0.23 0.00 -1.18 0.00 0.00 61.69 59.93 3h1o s THR 6 Cb -0.18 -3.27 0.39 0.00 1.34 0.00 0.00 72.50 70.79 3h1o s THR 6 CO 0.09 -0.13 1.96 -0.08 -0.54 0.00 0.00 174.62 175.93 3h1o h GLU 7 N 0.62 0.13 -4.32 3.99 4.81 -1.95 -3.39 114.58 114.46 3h1o h GLU 7 Ca -0.44 -0.01 -0.49 0.00 -0.13 0.00 0.00 59.36 58.30 3h1o h GLU 7 Cb 1.27 -0.03 -0.34 0.00 0.63 0.00 0.00 28.75 30.27 3h1o h GLU 7 CO 0.52 0.08 -0.80 -0.80 -0.73 0.00 0.00 179.01 177.28 3h1o s ASN 8 N -6.09 1.63 0.02 1.04 0.01 -1.26 -3.94 114.94 106.35 3h1o s ASN 8 Ca -0.06 -0.25 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 3h1o s ASN 8 Cb 0.20 -0.72 -0.02 0.00 0.41 0.00 0.00 41.25 41.13 3h1o s ASN 8 CO 0.75 -0.03 -0.04 -0.04 -1.51 0.00 0.00 177.10 176.23 3h1o s MET 9 N 0.97 0.33 0.37 -0.60 -1.94 -0.50 -5.00 119.30 112.93 3h1o s MET 9 Ca -0.09 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.35 3h1o s MET 9 Cb -0.15 -0.01 -0.02 0.00 2.01 0.00 0.00 34.83 36.66 3h1o s MET 9 CO 0.00 -0.01 0.56 -1.01 -0.01 0.00 0.00 175.02 174.55 3h1o s HIS 10 N -1.21 3.38 0.03 -0.03 3.76 -1.26 -0.85 115.29 119.11 3h1o s HIS 10 Ca -0.12 0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.98 3h1o s HIS 10 Cb -0.08 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 3h1o s HIS 10 CO -0.01 -0.01 0.08 0.00 -0.85 0.00 0.00 174.74 173.95 3h1o s MET 11 N -4.35 0.53 0.01 1.40 0.23 0.23 -1.76 119.30 115.59 3h1o s MET 11 Ca 0.42 -0.71 0.02 0.00 -1.03 0.00 0.00 55.69 54.40 3h1o s MET 11 Cb -0.10 0.21 -0.01 0.00 -1.53 0.00 0.00 34.83 33.40 3h1o s MET 11 CO 0.36 -0.13 -0.08 0.15 -2.03 0.00 0.00 175.02 173.29 3h1o s LYS 12 N -2.33 0.58 0.02 3.16 1.02 0.50 -1.18 119.74 121.50 3h1o s LYS 12 Ca -0.07 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.50 3h1o s LYS 12 Cb -0.03 -0.51 -0.02 0.00 -0.52 0.00 0.00 37.83 36.75 3h1o s LYS 12 CO -0.03 0.13 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.30 3h1o s LEU 13 N -0.64 2.17 -0.07 3.17 0.20 -0.39 -0.58 118.68 122.54 3h1o s LEU 13 Ca -0.01 -0.39 0.00 0.00 0.69 0.00 0.00 54.13 54.43 3h1o s LEU 13 Cb -0.05 -0.12 0.02 0.00 -0.43 0.00 0.00 46.19 45.62 3h1o s LEU 13 CO 0.00 -0.15 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.57 3h1o s TYR 14 N -0.99 0.88 0.00 5.38 2.02 -0.13 -1.58 117.35 122.93 3h1o s TYR 14 Ca -0.08 -0.30 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3h1o s TYR 14 Cb -0.07 -0.83 -0.01 0.00 -0.40 0.00 0.00 41.96 40.65 3h1o s TYR 14 CO -0.00 -0.30 -0.12 1.41 -1.57 0.00 0.00 175.55 174.97 3h1o s MET 15 N 1.41 0.94 0.02 -0.62 -2.45 0.07 -0.48 119.30 118.19 3h1o s MET 15 Ca -0.03 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 53.92 3h1o s MET 15 Cb -0.13 -0.91 -0.01 0.00 1.25 0.00 0.00 34.83 35.02 3h1o s MET 15 CO -0.03 0.24 -0.04 -2.00 1.05 0.00 0.00 175.02 174.25 3h1o s GLU 16 N -0.48 0.30 0.00 4.11 2.12 -0.48 -1.03 118.70 123.23 3h1o s GLU 16 Ca 0.04 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.90 3h1o s GLU 16 Cb -0.05 -0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.28 3h1o s GLU 16 CO -0.00 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 3h1o n GLY 17 N 2.04 0.71 2.93 -1.50 0.00 -0.69 -1.51 105.19 107.17 3h1o n GLY 17 Ca -0.20 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 3h1o n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1o s THR 18 N -2.13 -0.13 -0.13 2.61 2.01 -0.79 -0.93 115.64 116.14 3h1o s THR 18 Ca 0.00 0.23 0.03 0.00 0.31 0.00 0.00 61.69 62.25 3h1o s THR 18 Cb 0.00 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.22 3h1o s THR 18 CO 0.00 0.09 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.12 3h1o s VAL 19 N 1.58 1.99 -1.60 3.82 1.01 -0.65 -0.05 120.40 126.50 3h1o s VAL 19 Ca -0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.87 3h1o s VAL 19 Cb -0.12 -1.76 0.10 0.00 0.00 0.00 0.00 36.38 34.60 3h1o s VAL 19 CO -0.07 0.54 0.64 0.59 0.00 0.00 0.00 175.10 176.81 3h1o n ASN 20 N 4.04 -2.23 0.00 3.32 4.13 0.33 -0.82 115.26 124.03 3h1o n ASN 20 Ca -0.20 -1.01 0.00 0.00 1.68 0.00 0.00 54.58 55.05 3h1o n ASN 20 Cb 0.52 -2.84 0.00 0.00 -1.54 0.00 0.00 39.78 35.91 3h1o n ASN 20 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3h1o n ASN 21 N -2.78 -0.27 -4.55 6.41 3.02 -1.26 -4.99 115.26 110.84 3h1o n ASN 21 Ca -0.07 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.08 3h1o n ASN 21 Cb 0.56 -0.51 -0.09 0.00 -0.61 0.00 0.00 39.78 39.13 3h1o n ASN 21 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3h1o s HIS 22 N -3.32 3.21 0.32 3.10 2.46 0.00 -5.06 115.29 116.00 3h1o s HIS 22 Ca 0.00 0.04 -0.23 0.00 0.47 0.00 0.00 55.06 55.34 3h1o s HIS 22 Cb 0.00 -2.71 -0.10 0.00 -0.13 0.00 0.00 32.58 29.64 3h1o s HIS 22 CO 0.00 -0.44 0.88 -1.58 -2.47 0.00 0.00 174.74 171.14 3h1o s HIS 23 N 2.09 3.60 0.21 3.88 2.46 -1.26 -1.64 115.29 124.64 3h1o s HIS 23 Ca 0.13 1.64 -0.19 0.00 0.47 0.00 0.00 55.06 57.11 3h1o s HIS 23 Cb -0.16 -2.82 0.03 0.00 -0.13 0.00 0.00 32.58 29.50 3h1o s HIS 23 CO 0.12 0.18 0.57 -0.59 -2.47 0.00 0.00 174.74 172.55 3h1o s PHE 24 N -1.71 -0.16 0.01 3.88 -0.12 -0.11 -4.30 117.98 115.48 3h1o s PHE 24 Ca 0.51 -0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.19 3h1o s PHE 24 Cb -0.16 0.47 -0.01 0.00 -0.63 0.00 0.00 43.02 42.69 3h1o s PHE 24 CO 0.21 -0.99 -0.02 0.15 -0.05 0.00 0.00 175.22 174.53 3h1o s LYS 25 N -3.88 0.16 0.13 1.99 1.02 -0.14 -1.71 119.74 117.31 3h1o s LYS 25 Ca 0.09 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.87 3h1o s LYS 25 Cb -0.02 -0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 3h1o s LYS 25 CO -0.01 -0.01 -0.12 0.00 -0.92 0.00 0.00 175.35 174.29 3h1o s THR 27 N -2.72 0.63 0.08 0.00 -4.23 -0.44 -0.75 115.64 108.21 3h1o s THR 27 Ca 0.12 -1.37 -0.03 0.00 -1.18 0.00 0.00 61.69 59.23 3h1o s THR 27 Cb -0.01 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.81 3h1o s THR 27 CO 0.01 -0.53 0.04 -0.94 -0.54 0.00 0.00 174.62 172.66 3h1o s SER 28 N -2.07 0.37 -0.01 3.99 1.04 -0.62 -0.52 113.70 115.88 3h1o s SER 28 Ca -0.02 -0.98 0.04 0.00 0.48 0.00 0.00 55.95 55.47 3h1o s SER 28 Cb -0.05 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 3h1o s SER 28 CO -0.01 -0.66 -0.14 -1.61 0.98 0.00 0.00 173.24 171.80 3h1o s GLU 29 N -3.94 1.15 0.36 4.02 0.41 -0.77 -1.27 118.70 118.66 3h1o s GLU 29 Ca 0.11 -0.48 -0.08 0.00 -0.41 0.00 0.00 54.97 54.10 3h1o s GLU 29 Cb 0.07 -1.10 0.02 0.00 -1.78 0.00 0.00 34.13 31.35 3h1o s GLU 29 CO -0.07 0.28 0.61 0.20 -0.49 0.00 0.00 175.26 175.78 3h1o s GLY 30 N -0.25 1.02 0.08 -1.39 0.00 -0.33 -0.85 107.32 105.59 3h1o s GLY 30 Ca 0.04 -1.19 -0.13 0.00 0.00 0.00 0.00 44.72 43.43 3h1o s GLY 30 CO -0.00 -0.71 0.31 -1.83 0.00 0.00 0.00 173.10 170.87 3h1o s GLU 31 N -2.76 0.91 0.12 2.90 1.03 -0.69 -0.60 118.70 119.60 3h1o s GLU 31 Ca 0.24 -0.67 -0.09 0.00 0.03 0.00 0.00 54.97 54.48 3h1o s GLU 31 Cb -0.02 0.39 0.03 0.00 -0.80 0.00 0.00 34.13 33.73 3h1o s GLU 31 CO 0.17 -0.31 0.43 0.41 -1.33 0.00 0.00 175.26 174.62 3h1o n GLY 32 N 0.16 1.20 3.00 -3.83 0.00 -0.03 -1.12 105.19 104.58 3h1o n GLY 32 Ca -0.17 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 3h1o n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h1o s LYS 33 N -2.03 1.46 0.37 1.61 1.02 0.17 -1.41 119.74 120.94 3h1o s LYS 33 Ca 0.09 -1.87 0.10 0.00 0.02 0.00 0.00 55.97 54.31 3h1o s LYS 33 Cb -0.02 -3.16 0.84 0.00 -0.52 0.00 0.00 37.83 34.98 3h1o s LYS 33 CO 0.04 -0.95 1.89 -1.35 -0.92 0.00 0.00 175.35 174.06 3h1o h PRO 34 N 7.59 0.64 0.00 -1.68 0.11 -1.76 0.20 132.00 137.10 3h1o h PRO 34 Ca -0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3h1o h PRO 34 Cb 1.01 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3h1o h PRO 34 CO 0.52 0.42 -0.97 1.88 -0.21 0.00 0.00 178.00 179.64 3h1o h TYR 35 N 0.66 0.00 0.00 0.65 -1.99 -1.85 -3.15 116.97 111.29 3h1o h TYR 35 Ca 0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.14 3h1o h TYR 35 Cb 0.67 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.40 3h1o h TYR 35 CO -0.00 0.10 -0.41 0.39 -0.00 0.00 0.00 178.16 178.23 3h1o n GLU 36 N -2.76 0.05 -3.01 4.88 1.02 -0.77 -4.32 120.64 115.73 3h1o n GLU 36 Ca -0.01 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.01 3h1o n GLU 36 Cb 0.60 -1.54 0.04 0.00 -0.02 0.00 0.00 31.44 30.52 3h1o n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h1o n GLY 37 N 1.47 0.05 3.20 0.62 0.00 -0.01 -4.55 105.19 105.98 3h1o n GLY 37 Ca 0.05 -0.17 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 3h1o n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1o s THR 38 N -3.11 1.29 0.05 2.61 -4.23 -1.10 -0.93 115.64 110.22 3h1o s THR 38 Ca 0.30 -1.31 -0.27 0.00 -1.18 0.00 0.00 61.69 59.23 3h1o s THR 38 Cb -0.13 -1.20 0.09 0.00 1.34 0.00 0.00 72.50 72.60 3h1o s THR 38 CO 0.37 -0.13 0.74 0.00 -0.54 0.00 0.00 174.62 175.06 3h1o s GLN 39 N -1.66 1.03 -0.01 3.99 -2.07 -0.70 -0.65 119.66 119.59 3h1o s GLN 39 Ca 0.01 -0.26 0.03 0.00 -1.82 0.00 0.00 55.36 53.31 3h1o s GLN 39 Cb -0.10 0.48 -0.00 0.00 -1.09 0.00 0.00 33.01 32.30 3h1o s GLN 39 CO 0.03 -0.43 -0.09 0.99 -1.32 0.00 0.00 175.29 174.47 3h1o s THR 40 N -2.97 0.72 0.03 3.63 2.01 -0.27 -1.63 115.64 117.15 3h1o s THR 40 Ca 0.01 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 61.69 3h1o s THR 40 Cb -0.01 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 3h1o s THR 40 CO -0.07 0.21 -0.16 -1.10 -0.69 0.00 0.00 174.62 172.80 3h1o s GLN 41 N -0.08 1.16 -0.22 4.92 -0.21 -0.38 -1.71 119.66 123.13 3h1o s GLN 41 Ca 0.01 -0.75 -0.04 0.00 0.02 0.00 0.00 55.36 54.61 3h1o s GLN 41 Cb -0.05 -1.18 -0.01 0.00 1.00 0.00 0.00 33.01 32.77 3h1o s GLN 41 CO -0.00 0.30 -0.04 1.03 -2.12 0.00 0.00 175.29 174.47 3h1o s ARG 42 N -0.92 3.40 -0.08 2.91 0.52 -0.03 -1.22 118.95 123.53 3h1o s ARG 42 Ca 0.05 -0.61 0.02 0.00 -0.52 0.00 0.00 55.73 54.66 3h1o s ARG 42 Cb -0.08 -3.02 -0.02 0.00 0.52 0.00 0.00 34.95 32.35 3h1o s ARG 42 CO 0.01 -0.18 -0.13 0.42 0.02 0.00 0.00 175.30 175.44 3h1o s ILE 43 N 1.45 3.18 -0.06 1.52 1.01 0.13 -1.85 121.20 126.57 3h1o s ILE 43 Ca 0.05 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.10 3h1o s ILE 43 Cb -0.14 -2.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3h1o s ILE 43 CO -0.03 0.57 -0.22 -0.54 0.00 0.00 0.00 174.94 174.72 3h1o s LYS 44 N -0.38 2.62 -0.35 2.79 1.02 0.32 -1.01 119.74 124.76 3h1o s LYS 44 Ca 0.04 -0.85 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 3h1o s LYS 44 Cb -0.12 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 3h1o s LYS 44 CO 0.02 0.41 0.88 0.08 -0.92 0.00 0.00 175.35 175.82 3h1o s VAL 45 N -0.21 4.66 -0.73 3.17 1.01 -0.06 -1.33 120.40 126.91 3h1o s VAL 45 Ca -0.02 1.18 0.17 0.00 0.00 0.00 0.00 61.98 63.31 3h1o s VAL 45 Cb -0.13 -4.27 -0.19 0.00 0.00 0.00 0.00 36.38 31.79 3h1o s VAL 45 CO 0.03 -0.44 0.69 1.33 0.00 0.00 0.00 175.10 176.71 3h1o n VAL 46 N 5.82 0.00 -3.72 2.92 0.24 0.28 -4.78 118.33 119.09 3h1o n VAL 46 Ca 0.06 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.34 62.11 3h1o n VAL 46 Cb 0.48 0.93 -0.11 0.00 -1.47 0.00 0.00 33.84 33.68 3h1o n VAL 46 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 3h1o s GLU 47 N -2.63 0.42 0.00 7.34 2.12 -1.01 -4.91 118.70 120.03 3h1o s GLU 47 Ca 0.05 0.64 0.00 0.00 0.36 0.00 0.00 54.97 56.03 3h1o s GLU 47 Cb 0.13 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.63 3h1o s GLU 47 CO 0.69 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 3h1o n GLY 48 N 3.47 0.58 3.93 -1.50 0.00 -1.26 -0.97 105.19 109.45 3h1o n GLY 48 Ca -0.18 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 3h1o n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1o s GLY 49 N -2.18 1.68 0.44 -0.02 0.00 -1.26 -3.83 107.32 102.14 3h1o s GLY 49 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 44.72 43.63 3h1o s GLY 49 CO 0.00 -0.81 1.16 -4.14 0.00 0.00 0.00 173.10 169.31 3h1o s PRO 50 N -3.55 3.87 0.34 2.90 0.02 -1.26 -5.11 135.00 132.21 3h1o s PRO 50 Ca 0.39 1.78 -0.27 0.00 0.02 0.00 0.00 61.00 62.92 3h1o s PRO 50 Cb -0.11 -2.50 -0.09 0.00 0.02 0.00 0.00 34.50 31.82 3h1o s PRO 50 CO 0.30 -0.46 1.15 -0.51 -0.33 0.00 0.00 177.00 177.15 3h1o s LEU 51 N -2.84 4.38 -0.07 -5.54 1.43 -1.25 -4.91 118.68 109.89 3h1o s LEU 51 Ca 0.61 2.34 0.02 0.00 -1.03 0.00 0.00 54.13 56.08 3h1o s LEU 51 Cb -0.29 -3.80 0.17 0.00 0.03 0.00 0.00 46.19 42.30 3h1o s LEU 51 CO 0.36 -0.41 0.94 -0.81 0.23 0.00 0.00 176.35 176.66 3h1o n PRO 52 N 0.66 1.64 -3.95 1.29 -0.04 -1.26 -4.83 135.00 128.51 3h1o n PRO 52 Ca 0.01 -0.68 -0.09 0.00 -0.04 0.00 0.00 63.50 62.70 3h1o n PRO 52 Cb 0.45 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 3h1o n PRO 52 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3h1o s PHE 53 N -1.13 0.33 0.18 0.54 -0.12 -1.26 -4.69 117.98 111.83 3h1o s PHE 53 Ca 0.12 -0.77 -0.32 0.00 -0.05 0.00 0.00 56.93 55.92 3h1o s PHE 53 Cb 0.10 -0.16 -0.11 0.00 -0.63 0.00 0.00 43.02 42.22 3h1o s PHE 53 CO 0.03 -0.54 1.72 0.00 -0.05 0.00 0.00 175.22 176.37 3h1o s ALA 54 N -3.91 3.86 0.47 1.99 0.00 0.09 -4.86 121.76 119.41 3h1o s ALA 54 Ca 0.09 1.50 0.26 0.00 0.00 0.00 0.00 51.96 53.82 3h1o s ALA 54 Cb 0.05 -3.70 1.51 0.00 0.00 0.00 0.00 23.12 20.98 3h1o s ALA 54 CO -0.08 -0.97 2.12 0.35 0.00 0.00 0.00 175.76 177.18 3h1o h PHE 55 N 7.27 0.00 -1.02 0.00 3.57 -1.93 -2.78 116.94 122.05 3h1o h PHE 55 Ca -0.44 0.00 0.30 0.00 3.53 0.00 0.00 57.97 61.36 3h1o h PHE 55 Cb 1.20 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 39.81 3h1o h PHE 55 CO 0.68 0.09 0.60 -0.44 -2.23 0.00 0.00 178.31 177.01 3h1o h ASP 56 N 0.00 0.55 0.45 0.41 3.32 -1.97 0.12 116.42 119.31 3h1o h ASP 56 Ca -0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3h1o h ASP 56 Cb 0.23 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3h1o h ASP 56 CO 0.01 -0.05 0.00 2.30 -1.72 0.00 0.00 179.24 179.78 3h1o n ILE 57 N -4.96 1.08 0.58 0.35 -5.35 -1.05 -1.70 119.36 108.32 3h1o n ILE 57 Ca 0.30 0.34 0.11 0.00 -0.27 0.00 0.00 62.75 63.23 3h1o n ILE 57 Cb 0.92 -1.23 -0.05 0.00 -1.74 0.00 0.00 39.64 37.54 3h1o n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3h1o n LEU 58 N -1.88 0.60 -0.24 7.28 4.77 0.41 -4.63 117.00 123.31 3h1o n LEU 58 Ca 0.02 -0.15 -0.03 0.00 -0.03 0.00 0.00 56.01 55.81 3h1o n LEU 58 Cb 0.15 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 3h1o n LEU 58 CO 0.13 0.09 1.13 0.00 -1.33 0.00 0.00 177.39 177.42 3h1o h ALA 59 N 2.57 0.90 0.00 -1.18 0.00 -1.19 -0.74 119.26 119.62 3h1o h ALA 59 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h1o h ALA 59 Cb 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3h1o h ALA 59 CO 0.00 0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.69 3h1o n THR 60 N -4.68 0.53 0.33 0.00 -2.24 -1.26 -2.75 114.28 104.21 3h1o n THR 60 Ca 0.07 0.13 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 3h1o n THR 60 Cb 0.09 -0.79 0.11 0.00 -2.10 0.00 0.00 70.33 67.64 3h1o n THR 60 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3h1o h SER 61 N 0.00 0.00 0.00 3.42 0.02 -1.43 -3.45 113.55 112.11 3h1o h SER 61 Ca 0.00 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 3h1o h SER 61 Cb 0.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 3h1o h SER 61 CO 0.00 0.04 -0.26 0.49 -1.14 0.00 0.00 176.83 175.96 3h1o n PHE 62 N -2.49 0.00 0.00 3.45 3.01 -1.11 -4.99 117.46 115.33 3h1o n PHE 62 Ca 0.02 -1.32 0.00 0.00 1.01 0.00 0.00 57.45 57.16 3h1o n PHE 62 Cb 0.50 -1.26 0.00 0.00 -0.01 0.00 0.00 39.48 38.70 3h1o n PHE 62 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3h1o n SER 66 N 2.23 0.00 0.00 4.37 2.88 -1.26 -5.11 113.62 116.72 3h1o n SER 66 Ca 0.30 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.97 3h1o n SER 66 Cb 0.78 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.81 3h1o n SER 66 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 3h1o n HIS 67 N 0.00 0.00 0.30 0.66 8.25 -1.26 -2.60 115.22 120.57 3h1o n HIS 67 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 57.72 57.65 3h1o n HIS 67 Cb 0.00 -0.47 0.93 0.00 1.12 0.00 0.00 29.99 31.57 3h1o n HIS 67 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3h1o h THR 68 N 0.00 0.15 -2.08 1.59 2.02 -1.96 -3.23 112.91 109.39 3h1o h THR 68 Ca 0.00 -0.29 -0.77 0.00 0.77 0.00 0.00 66.41 66.12 3h1o h THR 68 Cb 0.42 1.25 -0.28 0.00 -1.74 0.00 0.00 68.15 67.79 3h1o h THR 68 CO 0.00 0.03 0.90 0.49 0.37 0.00 0.00 175.52 177.31 3h1o n PHE 69 N -3.23 2.96 -4.61 3.16 3.01 -1.07 -4.71 117.46 112.97 3h1o n PHE 69 Ca -0.02 -2.52 -0.33 0.00 1.01 0.00 0.00 57.45 55.60 3h1o n PHE 69 Cb 0.19 -1.11 -0.16 0.00 -0.01 0.00 0.00 39.48 38.39 3h1o n PHE 69 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3h1o s ILE 70 N -4.80 2.42 -0.50 4.37 1.01 -1.22 -4.10 121.20 118.37 3h1o s ILE 70 Ca 0.47 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 3h1o s ILE 70 Cb 0.34 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.81 3h1o s ILE 70 CO -0.29 0.53 1.57 0.21 0.00 0.00 0.00 174.94 176.96 3h1o s ASN 71 N 0.79 5.96 -0.39 3.58 2.47 -0.60 -4.67 114.94 122.08 3h1o s ASN 71 Ca -0.06 0.57 -0.23 0.00 0.42 0.00 0.00 52.86 53.55 3h1o s ASN 71 Cb -0.15 -2.54 0.02 0.00 -1.45 0.00 0.00 41.25 37.12 3h1o s ASN 71 CO -0.00 -1.79 0.80 -1.00 -3.72 0.00 0.00 177.10 171.39 3h1o s HIS 72 N 6.67 3.06 0.49 0.43 3.76 -1.26 -0.68 115.29 127.76 3h1o s HIS 72 Ca 0.62 0.45 0.05 0.00 -0.15 0.00 0.00 55.06 56.02 3h1o s HIS 72 Cb -0.14 -3.53 0.02 0.00 1.11 0.00 0.00 32.58 30.05 3h1o s HIS 72 CO 0.27 -0.83 0.67 0.95 -0.85 0.00 0.00 174.74 174.95 3h1o s THR 73 N 3.22 2.82 -1.69 1.30 -4.23 -1.16 -4.61 115.64 111.29 3h1o s THR 73 Ca 0.32 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 3h1o s THR 73 Cb -0.13 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.73 3h1o s THR 73 CO 0.19 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.27 3h1o n GLN 74 N -2.10 -1.75 -1.00 3.99 6.02 -1.26 -1.63 117.38 119.65 3h1o n GLN 74 Ca 0.08 0.95 -0.00 0.00 -0.01 0.00 0.00 57.00 58.03 3h1o n GLN 74 Cb 0.59 -5.57 -0.00 0.00 1.02 0.00 0.00 30.24 26.28 3h1o n GLN 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h1o n GLY 75 N -0.90 0.28 3.67 1.08 0.00 -1.26 -4.95 105.19 103.10 3h1o n GLY 75 Ca -0.22 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3h1o n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1o s ILE 76 N -1.55 2.81 0.33 -0.61 1.01 -0.65 -4.91 121.20 117.63 3h1o s ILE 76 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.37 3h1o s ILE 76 Cb 0.00 -3.00 -0.12 0.00 0.01 0.00 0.00 42.46 39.35 3h1o s ILE 76 CO 0.00 -0.00 1.41 -2.65 0.00 0.00 0.00 174.94 173.70 3h1o n PRO 77 N 6.88 2.35 -3.34 2.79 -0.02 -1.26 -4.81 135.00 137.59 3h1o n PRO 77 Ca 0.19 0.83 -0.46 0.00 -2.02 0.00 0.00 63.50 62.04 3h1o n PRO 77 Cb 0.40 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 3h1o n PRO 77 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3h1o s ASP 78 N -0.04 6.43 0.28 2.55 -1.08 -1.26 -4.73 116.67 118.81 3h1o s ASP 78 Ca 0.58 -2.27 0.01 0.00 -0.52 0.00 0.00 52.55 50.35 3h1o s ASP 78 Cb -0.54 -2.19 0.63 0.00 -1.46 0.00 0.00 42.92 39.35 3h1o s ASP 78 CO 0.59 -0.70 1.71 0.15 0.52 0.00 0.00 175.17 177.43 3h1o h PHE 79 N 8.28 0.58 0.01 -5.34 3.57 -1.91 -1.09 116.94 121.05 3h1o h PHE 79 Ca -0.09 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 3h1o h PHE 79 Cb 1.07 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3h1o h PHE 79 CO 0.88 -0.02 -0.00 -1.49 -2.23 0.00 0.00 178.31 175.45 3h1o h TRP 80 N 0.41 -0.01 -0.12 0.41 6.55 -1.92 -3.11 115.95 118.17 3h1o h TRP 80 Ca 0.51 -0.00 -0.04 0.00 0.95 0.00 0.00 58.89 60.31 3h1o h TRP 80 Cb 0.91 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 29.20 3h1o h TRP 80 CO -0.16 0.82 -0.09 0.87 -1.05 0.00 0.00 178.44 178.83 3h1o h LYS 81 N -0.88 0.18 0.00 0.49 1.57 -1.85 -1.54 116.57 114.54 3h1o h LYS 81 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3h1o h LYS 81 Cb 0.83 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 3h1o h LYS 81 CO 0.00 0.28 -0.04 1.96 -0.57 0.00 0.00 179.45 181.09 3h1o h GLN 82 N 0.17 0.00 0.00 3.15 4.20 -1.24 -3.19 115.11 118.19 3h1o h GLN 82 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3h1o h GLN 82 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3h1o h GLN 82 CO 0.01 0.04 0.00 -1.13 -0.67 0.00 0.00 178.83 177.08 3h1o n SER 83 N -3.17 0.45 -4.83 1.46 3.41 -0.58 -4.85 113.62 105.51 3h1o n SER 83 Ca -0.00 0.55 -0.32 0.00 -0.26 0.00 0.00 58.87 58.83 3h1o n SER 83 Cb 0.28 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 3h1o n SER 83 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3h1o s PHE 84 N -3.06 3.37 -0.35 7.33 0.40 -1.21 -1.30 117.98 123.15 3h1o s PHE 84 Ca 0.12 1.52 0.21 0.00 -0.60 0.00 0.00 56.93 58.17 3h1o s PHE 84 Cb 0.15 -2.83 0.27 0.00 0.51 0.00 0.00 43.02 41.12 3h1o s PHE 84 CO 0.55 -0.35 1.57 -1.00 0.70 0.00 0.00 175.22 176.69 3h1o h PRO 85 N 1.21 0.00 -0.84 0.24 0.13 -1.92 -3.45 132.00 127.37 3h1o h PRO 85 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3h1o h PRO 85 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3h1o h PRO 85 CO 0.61 0.14 0.53 0.93 -0.23 0.00 0.00 178.00 179.99 3h1o h GLU 86 N 0.00 1.11 0.00 0.86 3.07 -1.88 -3.39 114.58 114.36 3h1o h GLU 86 Ca -0.00 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3h1o h GLU 86 Cb 1.10 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3h1o h GLU 86 CO 0.02 0.76 0.00 0.41 -1.40 0.00 0.00 179.01 178.80 3h1o n GLY 87 N -1.28 -1.83 3.35 -3.84 0.00 -0.42 -4.75 105.19 96.42 3h1o n GLY 87 Ca 0.09 -1.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 3h1o n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1o s PHE 88 N 0.00 0.40 0.23 1.61 -0.71 -1.11 -0.69 117.98 117.70 3h1o s PHE 88 Ca 0.00 -0.76 0.08 0.00 -1.04 0.00 0.00 56.93 55.21 3h1o s PHE 88 Cb 0.00 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.72 3h1o s PHE 88 CO 0.00 -0.74 -0.13 0.95 -1.34 0.00 0.00 175.22 173.97 3h1o s THR 89 N -3.97 1.78 0.04 -4.49 -4.23 0.11 -0.72 115.64 104.16 3h1o s THR 89 Ca 0.18 -2.21 -0.00 0.00 -1.18 0.00 0.00 61.69 58.47 3h1o s THR 89 Cb 0.03 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 3h1o s THR 89 CO 0.01 -0.50 -0.03 -1.66 -0.54 0.00 0.00 174.62 171.89 3h1o s TRP 90 N -2.94 0.46 -0.02 3.99 1.48 -0.66 -1.14 118.94 120.10 3h1o s TRP 90 Ca 0.25 -0.85 0.01 0.00 -1.06 0.00 0.00 56.10 54.45 3h1o s TRP 90 Cb 0.00 -0.33 0.01 0.00 -1.16 0.00 0.00 33.47 32.00 3h1o s TRP 90 CO 0.09 -0.29 -0.03 -2.00 -4.06 0.00 0.00 176.95 170.66 3h1o s GLU 91 N -2.97 0.49 0.01 3.25 2.12 -0.53 -0.76 118.70 120.32 3h1o s GLU 91 Ca -0.01 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.25 3h1o s GLU 91 Cb 0.01 -0.55 -0.01 0.00 0.26 0.00 0.00 34.13 33.84 3h1o s GLU 91 CO -0.06 -0.03 -0.03 0.50 -0.54 0.00 0.00 175.26 175.10 3h1o s ARG 92 N 0.55 0.25 -0.13 4.30 3.52 -0.09 -1.15 118.95 126.20 3h1o s ARG 92 Ca -0.06 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.17 3h1o s ARG 92 Cb -0.09 -0.04 0.01 0.00 -1.56 0.00 0.00 34.95 33.27 3h1o s ARG 92 CO -0.01 -0.00 -0.19 0.54 -0.81 0.00 0.00 175.30 174.83 3h1o s VAL 93 N -0.84 1.82 -0.24 7.11 0.11 -0.26 -1.17 120.40 126.93 3h1o s VAL 93 Ca -0.08 -0.84 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 3h1o s VAL 93 Cb -0.06 -1.63 -0.00 0.00 -1.53 0.00 0.00 36.38 33.15 3h1o s VAL 93 CO -0.00 0.50 -0.01 -0.89 -3.33 0.00 0.00 175.10 171.37 3h1o s THR 94 N 0.90 3.51 -0.25 5.04 2.01 0.82 -1.59 115.64 126.09 3h1o s THR 94 Ca -0.06 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 3h1o s THR 94 Cb -0.15 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.70 3h1o s THR 94 CO -0.02 0.33 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.32 3h1o s THR 95 N 1.48 3.24 0.30 -0.82 2.01 -0.01 -0.99 115.64 120.86 3h1o s THR 95 Ca 0.05 -0.79 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 3h1o s THR 95 Cb -0.15 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 69.67 3h1o s THR 95 CO -0.02 0.25 0.78 -0.31 -0.69 0.00 0.00 174.62 174.63 3h1o s TYR 96 N 1.41 3.48 -1.28 4.92 1.51 0.62 -0.98 117.35 127.03 3h1o s TYR 96 Ca 0.02 1.37 0.19 0.00 -1.01 0.00 0.00 57.07 57.64 3h1o s TYR 96 Cb -0.16 -2.63 0.89 0.00 -0.11 0.00 0.00 41.96 39.95 3h1o s TYR 96 CO -0.03 0.16 1.58 0.39 -1.11 0.00 0.00 175.55 176.54 3h1o n GLU 97 N 0.03 0.17 -0.67 -0.62 1.02 -0.09 -1.82 120.64 118.66 3h1o n GLU 97 Ca 0.02 0.14 0.05 0.00 -0.02 0.00 0.00 57.16 57.34 3h1o n GLU 97 Cb 0.52 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.74 3h1o n GLU 97 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h1o n ASP 98 N -1.36 4.36 0.00 1.62 5.75 -1.26 -4.98 116.55 120.67 3h1o n ASP 98 Ca 0.07 -3.10 0.00 0.00 -0.01 0.00 0.00 54.79 51.76 3h1o n ASP 98 Cb 0.17 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 3h1o n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h1o n GLY 99 N -0.25 3.12 3.76 6.12 0.00 -0.76 -4.55 105.19 112.64 3h1o n GLY 99 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.88 3h1o n GLY 99 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1o s GLY 100 N -2.75 2.52 -0.09 -0.02 0.00 -1.21 -4.70 107.32 101.08 3h1o s GLY 100 Ca 0.00 1.56 -0.00 0.00 0.00 0.00 0.00 44.72 46.28 3h1o s GLY 100 CO 0.00 2.40 -0.06 0.14 0.00 0.00 0.00 173.10 175.58 3h1o s VAL 101 N -0.54 0.81 -0.15 1.40 1.01 -0.62 -0.28 120.40 122.02 3h1o s VAL 101 Ca 0.58 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.39 3h1o s VAL 101 Cb -0.47 -0.85 0.02 0.00 0.00 0.00 0.00 36.38 35.08 3h1o s VAL 101 CO 0.55 0.32 -0.19 -0.22 0.00 0.00 0.00 175.10 175.56 3h1o s LEU 102 N 1.54 2.00 -0.03 3.92 0.20 -0.16 -1.05 118.68 125.10 3h1o s LEU 102 Ca 0.00 -0.58 0.02 0.00 0.69 0.00 0.00 54.13 54.26 3h1o s LEU 102 Cb -0.13 -1.37 -0.03 0.00 -0.43 0.00 0.00 46.19 44.23 3h1o s LEU 102 CO -0.05 0.02 -0.05 0.42 -0.29 0.00 0.00 176.35 176.40 3h1o s THR 103 N 1.12 3.79 -0.02 3.68 -4.23 -0.12 -0.13 115.64 119.74 3h1o s THR 103 Ca -0.01 -0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 3h1o s THR 103 Cb -0.14 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.08 3h1o s THR 103 CO -0.07 0.47 0.07 0.00 -0.54 0.00 0.00 174.62 174.55 3h1o s ALA 104 N -0.94 -0.17 -0.01 3.99 0.00 -0.32 -1.00 121.76 123.32 3h1o s ALA 104 Ca 0.16 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.24 3h1o s ALA 104 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3h1o s ALA 104 CO 0.06 -0.08 -0.22 0.95 0.00 0.00 0.00 175.76 176.47 3h1o s THR 105 N -0.39 1.74 -0.00 0.00 -4.23 -0.38 -0.91 115.64 111.46 3h1o s THR 105 Ca -0.05 -0.99 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3h1o s THR 105 Cb -0.03 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.36 3h1o s THR 105 CO 0.00 0.45 -0.02 -1.58 -0.54 0.00 0.00 174.62 172.93 3h1o s GLN 106 N -0.63 0.15 -0.09 3.99 -0.44 0.06 -1.01 119.66 121.70 3h1o s GLN 106 Ca 0.08 -0.05 0.04 0.00 -2.50 0.00 0.00 55.36 52.94 3h1o s GLN 106 Cb -0.09 -0.17 -0.00 0.00 -1.64 0.00 0.00 33.01 31.11 3h1o s GLN 106 CO -0.00 0.02 -0.24 0.34 0.50 0.00 0.00 175.29 175.91 3h1o s ASP 107 N 0.06 3.06 -0.15 6.67 -1.08 -0.43 -1.66 116.67 123.15 3h1o s ASP 107 Ca -0.00 -0.54 -0.00 0.00 -0.52 0.00 0.00 52.55 51.48 3h1o s ASP 107 Cb -0.02 -1.27 -0.01 0.00 -1.46 0.00 0.00 42.92 40.16 3h1o s ASP 107 CO -0.00 0.18 -0.14 -0.89 0.52 0.00 0.00 175.17 174.84 3h1o s THR 108 N 0.23 2.86 0.44 1.71 2.01 0.10 -1.63 115.64 121.37 3h1o s THR 108 Ca -0.15 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.17 3h1o s THR 108 Cb -0.17 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 3h1o s THR 108 CO 0.08 0.51 0.13 -0.94 -0.69 0.00 0.00 174.62 173.71 3h1o s SER 109 N 0.68 3.09 -0.04 3.53 1.04 -0.27 -2.75 113.70 118.97 3h1o s SER 109 Ca -0.07 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 54.63 3h1o s SER 109 Cb -0.15 0.62 0.03 0.00 0.10 0.00 0.00 66.02 66.61 3h1o s SER 109 CO 0.02 -0.98 -0.01 -0.22 0.98 0.00 0.00 173.24 173.03 3h1o s LEU 110 N -3.67 1.14 -0.13 2.42 2.96 -1.26 -0.85 118.68 119.29 3h1o s LEU 110 Ca 0.19 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.99 3h1o s LEU 110 Cb 0.01 -0.29 0.06 0.00 0.50 0.00 0.00 46.19 46.47 3h1o s LEU 110 CO 0.13 -0.10 0.27 -1.58 -1.32 0.00 0.00 176.35 173.76 3h1o s GLN 111 N 1.08 0.18 -1.72 1.98 2.00 0.24 -4.88 119.66 118.55 3h1o s GLN 111 Ca -0.09 0.72 0.00 0.00 -2.00 0.00 0.00 55.36 54.00 3h1o s GLN 111 Cb -0.14 -0.03 0.00 0.00 0.80 0.00 0.00 33.01 33.65 3h1o s GLN 111 CO -0.01 -0.25 0.00 -0.25 -0.50 0.00 0.00 175.29 174.27 3h1o n ASP 112 N 5.08 -5.64 0.00 6.67 8.00 -1.26 -0.64 116.55 128.76 3h1o n ASP 112 Ca -0.11 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3h1o n ASP 112 Cb 0.51 -4.68 0.00 0.00 -0.02 0.00 0.00 41.12 36.92 3h1o n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h1o n GLY 113 N -0.99 0.45 3.44 0.44 0.00 -1.26 -5.01 105.19 102.26 3h1o n GLY 113 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3h1o n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1o s LEU 115 N 0.41 4.51 -0.17 0.00 1.43 -0.72 -0.59 118.68 123.55 3h1o s LEU 115 Ca -0.06 2.01 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 3h1o s LEU 115 Cb -0.15 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.49 3h1o s LEU 115 CO 0.04 -0.13 -0.15 -0.63 0.23 0.00 0.00 176.35 175.70 3h1o s ILE 116 N -0.34 1.75 -0.11 -0.59 -1.09 -0.03 -0.37 121.20 120.42 3h1o s ILE 116 Ca 0.47 -0.81 -0.02 0.00 -2.23 0.00 0.00 60.65 58.07 3h1o s ILE 116 Cb -0.28 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 3h1o s ILE 116 CO 0.34 0.43 -0.04 -0.31 -1.23 0.00 0.00 174.94 174.12 3h1o s TYR 117 N 1.40 3.01 -0.14 3.97 2.02 0.25 -1.11 117.35 126.75 3h1o s TYR 117 Ca 0.04 -0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.63 3h1o s TYR 117 Cb -0.14 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.60 3h1o s TYR 117 CO -0.11 0.17 -0.14 1.21 -1.57 0.00 0.00 175.55 175.11 3h1o s ASN 118 N -0.24 2.63 -0.04 2.29 2.47 -0.64 -0.96 114.94 120.45 3h1o s ASN 118 Ca 0.04 -0.47 0.05 0.00 0.42 0.00 0.00 52.86 52.91 3h1o s ASN 118 Cb -0.13 -1.15 -0.01 0.00 -1.45 0.00 0.00 41.25 38.51 3h1o s ASN 118 CO 0.02 -0.05 -0.21 -0.69 -3.72 0.00 0.00 177.10 172.46 3h1o s VAL 119 N 1.43 1.70 -0.06 -5.21 1.01 0.36 -1.31 120.40 118.31 3h1o s VAL 119 Ca 0.03 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3h1o s VAL 119 Cb -0.13 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 3h1o s VAL 119 CO -0.09 0.48 -0.24 -0.54 0.00 0.00 0.00 175.10 174.71 3h1o s LYS 120 N -0.17 2.64 -0.04 2.72 1.02 -0.18 -1.39 119.74 124.34 3h1o s LYS 120 Ca -0.00 -0.88 0.05 0.00 0.02 0.00 0.00 55.97 55.15 3h1o s LYS 120 Cb -0.11 -2.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.98 3h1o s LYS 120 CO 0.02 0.36 -0.19 0.42 -0.92 0.00 0.00 175.35 175.04 3h1o s ILE 121 N -0.11 1.56 -0.15 2.17 -1.09 -0.57 -1.25 121.20 121.76 3h1o s ILE 121 Ca -0.05 -0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 57.56 3h1o s ILE 121 Cb -0.14 -1.33 0.04 0.00 -1.58 0.00 0.00 42.46 39.45 3h1o s ILE 121 CO 0.04 0.44 -0.02 -0.60 -1.23 0.00 0.00 174.94 173.57 3h1o s ARG 122 N -0.10 1.09 -0.12 2.79 3.52 -0.17 -1.89 118.95 124.07 3h1o s ARG 122 Ca -0.01 -0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 55.24 3h1o s ARG 122 Cb -0.11 -1.79 -0.02 0.00 -1.56 0.00 0.00 34.95 31.47 3h1o s ARG 122 CO 0.02 -0.44 -0.11 0.20 -0.81 0.00 0.00 175.30 174.16 3h1o s GLY 123 N 1.76 1.59 0.04 8.12 0.00 0.92 -0.94 107.32 118.82 3h1o s GLY 123 Ca 0.01 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3h1o s GLY 123 CO -0.07 -0.30 -0.04 -1.34 0.00 0.00 0.00 173.10 171.35 3h1o s VAL 124 N 0.08 0.28 -1.17 1.40 -7.23 -0.22 -0.51 120.40 113.03 3h1o s VAL 124 Ca -0.04 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 3h1o s VAL 124 Cb -0.14 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.79 3h1o s VAL 124 CO 0.04 -0.74 0.00 -3.20 -0.31 0.00 0.00 175.10 170.89 3h1o n ASN 125 N 0.76 -4.17 -4.67 4.85 5.15 -1.26 -1.60 115.26 114.32 3h1o n ASN 125 Ca -0.18 0.16 -0.43 0.00 -0.60 0.00 0.00 54.58 53.53 3h1o n ASN 125 Cb 0.58 -3.03 -0.02 0.00 -0.53 0.00 0.00 39.78 36.78 3h1o n ASN 125 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3h1o s PHE 126 N -2.52 2.73 0.21 1.20 0.08 -1.26 -3.28 117.98 115.14 3h1o s PHE 126 Ca 0.00 0.84 -0.32 0.00 0.12 0.00 0.00 56.93 57.57 3h1o s PHE 126 Cb 0.00 -3.60 -0.12 0.00 -0.57 0.00 0.00 43.02 38.72 3h1o s PHE 126 CO 0.00 -2.21 1.68 -0.35 -0.10 0.00 0.00 175.22 174.25 3h1o n PRO 127 N 6.28 2.67 0.25 0.24 -0.04 -1.26 -4.86 135.00 138.28 3h1o n PRO 127 Ca 0.14 0.96 0.12 0.00 -0.04 0.00 0.00 63.50 64.68 3h1o n PRO 127 Cb 0.44 -2.79 0.76 0.00 -0.04 0.00 0.00 33.50 31.87 3h1o n PRO 127 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3h1o h SER 128 N 6.36 0.00 -0.64 3.54 4.64 -1.98 -0.27 113.55 125.19 3h1o h SER 128 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3h1o h SER 128 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3h1o h SER 128 CO 0.92 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.47 3h1o n ASN 129 N -4.22 3.75 -4.55 4.97 5.03 -1.26 -4.50 115.26 114.47 3h1o n ASN 129 Ca -0.02 -2.02 -0.29 0.00 0.87 0.00 0.00 54.58 53.13 3h1o n ASN 129 Cb 0.14 -0.43 0.13 0.00 -1.02 0.00 0.00 39.78 38.60 3h1o n ASN 129 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3h1o s GLY 130 N -1.00 1.70 0.43 7.41 0.00 -0.11 -4.84 107.32 110.90 3h1o s GLY 130 Ca 0.43 -0.99 0.22 0.00 0.00 0.00 0.00 44.72 44.38 3h1o s GLY 130 CO 0.29 -0.39 1.83 -0.56 0.00 0.00 0.00 173.10 174.28 3h1o h PRO 131 N -1.23 0.00 0.34 2.90 0.14 -1.92 -1.63 132.00 130.61 3h1o h PRO 131 Ca -0.44 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.68 3h1o h PRO 131 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.43 3h1o h PRO 131 CO 0.51 0.27 -0.16 0.28 0.14 0.00 0.00 178.00 179.04 3h1o h VAL 132 N 0.00 0.61 0.00 1.56 2.07 -1.91 0.34 116.25 118.92 3h1o h VAL 132 Ca -0.00 -0.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 3h1o h VAL 132 Cb 0.73 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3h1o h VAL 132 CO 0.04 0.11 -0.19 0.24 0.02 0.00 0.00 177.57 177.78 3h1o h MET 133 N -0.82 0.00 -0.32 1.57 2.86 -1.76 0.40 114.93 116.85 3h1o h MET 133 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3h1o h MET 133 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3h1o h MET 133 CO 0.08 0.19 0.00 1.04 1.06 0.00 0.00 176.91 179.27 3h1o n GLN 134 N -3.35 2.19 -3.90 1.72 1.13 -0.62 -4.64 117.38 109.91 3h1o n GLN 134 Ca 0.00 -1.80 -0.28 0.00 -1.94 0.00 0.00 57.00 52.98 3h1o n GLN 134 Cb 0.41 -1.46 -0.01 0.00 0.11 0.00 0.00 30.24 29.29 3h1o n GLN 134 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3h1o n LYS 135 N 1.01 -2.65 -1.77 -1.09 5.02 -0.38 -4.89 118.16 113.40 3h1o n LYS 135 Ca 0.18 0.39 -0.28 0.00 -2.02 0.00 0.00 58.31 56.58 3h1o n LYS 135 Cb 0.48 -4.32 0.04 0.00 -0.02 0.00 0.00 35.03 31.21 3h1o n LYS 135 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h1o n LYS 136 N -4.39 3.29 -4.18 1.97 4.76 0.11 -5.00 118.16 114.71 3h1o n LYS 136 Ca -0.25 -3.86 -0.26 0.00 -2.87 0.00 0.00 58.31 51.07 3h1o n LYS 136 Cb 0.66 -2.28 -0.07 0.00 -1.84 0.00 0.00 35.03 31.50 3h1o n LYS 136 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3h1o s THR 137 N -4.69 3.89 -0.16 -0.18 -4.23 -1.26 -1.25 115.64 107.78 3h1o s THR 137 Ca 0.56 -1.38 0.20 0.00 -1.18 0.00 0.00 61.69 59.88 3h1o s THR 137 Cb 0.45 -2.98 0.46 0.00 1.34 0.00 0.00 72.50 71.76 3h1o s THR 137 CO 0.02 -0.14 1.16 0.18 -0.54 0.00 0.00 174.62 175.31 3h1o n LEU 138 N -0.27 2.01 0.00 4.79 4.77 0.77 -4.81 117.00 124.26 3h1o n LEU 138 Ca -0.09 -3.02 0.00 0.00 -0.03 0.00 0.00 56.01 52.87 3h1o n LEU 138 Cb 0.55 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3h1o n LEU 138 CO 0.40 1.04 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 3h1o n GLY 139 N -0.28 0.05 3.81 -0.72 0.00 -1.26 -4.70 105.19 102.09 3h1o n GLY 139 Ca 0.14 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.94 3h1o n GLY 139 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h1o s TRP 140 N -1.60 3.41 0.82 1.61 0.52 -1.26 -0.43 118.94 122.00 3h1o s TRP 140 Ca 0.00 0.35 -0.11 0.00 0.02 0.00 0.00 56.10 56.36 3h1o s TRP 140 Cb 0.00 -1.84 0.08 0.00 -1.15 0.00 0.00 33.47 30.56 3h1o s TRP 140 CO 0.00 0.61 1.09 -1.21 0.02 0.00 0.00 176.95 177.46 3h1o s GLU 141 N -1.24 1.91 0.71 4.98 0.41 -0.39 -4.77 118.70 120.30 3h1o s GLU 141 Ca 0.18 0.87 -0.16 0.00 -0.41 0.00 0.00 54.97 55.44 3h1o s GLU 141 Cb -0.12 -1.88 0.02 0.00 -1.78 0.00 0.00 34.13 30.37 3h1o s GLU 141 CO 0.07 -1.80 1.15 0.00 -0.49 0.00 0.00 175.26 174.19 3h1o n ALA 142 N -3.59 0.36 -2.60 5.21 0.00 -1.26 -4.74 120.51 113.90 3h1o n ALA 142 Ca 0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3h1o n ALA 142 Cb 0.55 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.69 3h1o n ALA 142 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3h1o s HIS 143 N -1.71 0.53 -0.06 0.00 -3.43 -0.58 -4.83 115.29 105.22 3h1o s HIS 143 Ca 0.77 -0.89 0.05 0.00 -0.80 0.00 0.00 55.06 54.19 3h1o s HIS 143 Cb -0.35 -0.16 -0.01 0.00 -1.43 0.00 0.00 32.58 30.64 3h1o s HIS 143 CO 0.46 -0.69 -0.23 0.99 -2.00 0.00 0.00 174.74 173.28 3h1o s THR 144 N -4.00 1.86 -0.14 -5.38 2.01 -1.26 -0.74 115.64 108.00 3h1o s THR 144 Ca 0.20 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 3h1o s THR 144 Cb 0.04 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 3h1o s THR 144 CO 0.02 0.52 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.71 3h1o s GLU 145 N -0.07 3.47 -0.11 4.92 2.12 0.12 -4.38 118.70 124.78 3h1o s GLU 145 Ca -0.05 -0.56 -0.14 0.00 0.36 0.00 0.00 54.97 54.59 3h1o s GLU 145 Cb -0.13 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.40 3h1o s GLU 145 CO 0.04 0.30 0.33 1.41 -0.54 0.00 0.00 175.26 176.80 3h1o s MET 146 N 0.17 4.09 0.04 4.30 -2.45 0.54 -1.06 119.30 124.94 3h1o s MET 146 Ca -0.03 0.21 0.07 0.00 -1.25 0.00 0.00 55.69 54.69 3h1o s MET 146 Cb -0.14 -3.35 -0.02 0.00 1.25 0.00 0.00 34.83 32.57 3h1o s MET 146 CO 0.03 0.40 -0.20 -0.51 1.05 0.00 0.00 175.02 175.79 3h1o s LEU 147 N -0.08 2.15 -0.10 4.11 1.43 0.30 -0.89 118.68 125.61 3h1o s LEU 147 Ca 0.20 -0.50 -0.26 0.00 -1.03 0.00 0.00 54.13 52.54 3h1o s LEU 147 Cb -0.14 -0.97 0.06 0.00 0.03 0.00 0.00 46.19 45.16 3h1o s LEU 147 CO 0.07 0.17 0.61 -0.72 0.23 0.00 0.00 176.35 176.71 3h1o s TYR 148 N -0.76 -0.59 0.37 0.29 1.13 -0.51 -1.21 117.35 116.07 3h1o s TYR 148 Ca 0.07 1.15 -0.26 0.00 -1.41 0.00 0.00 57.07 56.63 3h1o s TYR 148 Cb -0.09 0.31 -0.09 0.00 -1.10 0.00 0.00 41.96 41.00 3h1o s TYR 148 CO 0.01 -0.50 1.13 -2.14 -2.51 0.00 0.00 175.55 171.55 3h1o s PRO 149 N -0.78 4.22 -0.29 -3.49 0.02 -1.26 -0.48 135.00 132.95 3h1o s PRO 149 Ca -0.08 1.78 -0.14 0.00 0.02 0.00 0.00 61.00 62.58 3h1o s PRO 149 Cb -0.02 -2.78 0.10 0.00 0.02 0.00 0.00 34.50 31.82 3h1o s PRO 149 CO 0.06 -0.16 0.67 0.00 -0.33 0.00 0.00 177.00 177.25 3h1o s ALA 150 N -1.40 -1.93 -1.39 -1.55 0.00 -0.64 -4.84 121.76 110.01 3h1o s ALA 150 Ca 0.54 2.39 -0.08 0.00 0.00 0.00 0.00 51.96 54.81 3h1o s ALA 150 Cb -0.30 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.27 3h1o s ALA 150 CO 0.37 -0.59 0.36 -3.47 0.00 0.00 0.00 175.76 172.43 3h1o n ASP 151 N 4.76 -1.05 0.00 0.00 2.03 -1.26 -1.05 116.55 119.98 3h1o n ASP 151 Ca -0.17 -1.15 0.00 0.00 0.52 0.00 0.00 54.79 53.99 3h1o n ASP 151 Cb 0.55 -2.36 0.00 0.00 -0.72 0.00 0.00 41.12 38.59 3h1o n ASP 151 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h1o n GLY 152 N -2.18 1.51 0.00 0.27 0.00 -1.26 -4.97 105.19 98.57 3h1o n GLY 152 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3h1o n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1o n GLY 153 N -2.00 6.80 3.08 -0.02 0.00 -0.22 -4.78 105.19 108.06 3h1o n GLY 153 Ca 0.00 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 3h1o n GLY 153 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h1o s LEU 154 N 0.00 1.79 -0.08 0.99 2.96 -0.43 -1.62 118.68 122.29 3h1o s LEU 154 Ca 0.00 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.54 3h1o s LEU 154 Cb 0.00 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 3h1o s LEU 154 CO 0.00 0.09 0.10 -1.61 -1.32 0.00 0.00 176.35 173.60 3h1o s GLU 155 N 0.39 3.26 0.01 1.98 0.41 0.37 -0.73 118.70 124.39 3h1o s GLU 155 Ca -0.10 -0.28 0.06 0.00 -0.41 0.00 0.00 54.97 54.24 3h1o s GLU 155 Cb -0.14 -3.02 -0.02 0.00 -1.78 0.00 0.00 34.13 29.17 3h1o s GLU 155 CO 0.03 0.73 -0.19 0.20 -0.49 0.00 0.00 175.26 175.55 3h1o s GLY 156 N -1.17 0.96 -0.03 -1.39 0.00 -0.39 -1.43 107.32 103.87 3h1o s GLY 156 Ca 0.17 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 44.02 3h1o s GLY 156 CO 0.06 -0.78 -0.04 0.50 0.00 0.00 0.00 173.10 172.84 3h1o s ARG 157 N -0.75 0.67 0.01 2.90 1.81 -0.07 -1.35 118.95 122.17 3h1o s ARG 157 Ca 0.07 -0.11 -0.15 0.00 -1.72 0.00 0.00 55.73 53.81 3h1o s ARG 157 Cb -0.08 -0.69 0.02 0.00 -0.45 0.00 0.00 34.95 33.76 3h1o s ARG 157 CO 0.00 -0.03 0.32 0.00 -0.68 0.00 0.00 175.30 174.92 3h1o s ALA 158 N 0.62 -0.79 -0.11 2.13 0.00 -1.00 -0.34 121.76 122.27 3h1o s ALA 158 Ca -0.08 0.25 0.02 0.00 0.00 0.00 0.00 51.96 52.15 3h1o s ALA 158 Cb -0.11 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3h1o s ALA 158 CO -0.00 -0.32 -0.17 -0.51 0.00 0.00 0.00 175.76 174.75 3h1o s ASP 159 N -1.60 3.66 0.11 0.00 1.01 -1.26 -0.48 116.67 118.10 3h1o s ASP 159 Ca -0.10 -0.41 0.10 0.00 0.71 0.00 0.00 52.55 52.85 3h1o s ASP 159 Cb -0.03 -1.46 -0.04 0.00 1.01 0.00 0.00 42.92 42.40 3h1o s ASP 159 CO 0.02 0.18 -0.26 -0.76 0.21 0.00 0.00 175.17 174.56 3h1o s LEU 160 N 0.26 2.29 -0.21 1.23 1.02 0.36 -4.70 118.68 118.93 3h1o s LEU 160 Ca -0.12 -0.71 -0.03 0.00 0.02 0.00 0.00 54.13 53.30 3h1o s LEU 160 Cb -0.16 -1.16 0.00 0.00 0.02 0.00 0.00 46.19 44.89 3h1o s LEU 160 CO 0.06 0.17 -0.08 0.00 0.02 0.00 0.00 176.35 176.52 3h1o s ALA 161 N -1.03 2.70 -0.28 4.21 0.00 -1.26 -1.06 121.76 125.04 3h1o s ALA 161 Ca 0.12 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 3h1o s ALA 161 Cb -0.10 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3h1o s ALA 161 CO 0.05 -0.44 0.44 -1.17 0.00 0.00 0.00 175.76 174.64 3h1o s LEU 162 N 1.43 4.09 0.37 0.00 2.96 -0.00 -1.27 118.68 126.27 3h1o s LEU 162 Ca 0.05 0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 54.02 3h1o s LEU 162 Cb -0.14 -2.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.93 3h1o s LEU 162 CO -0.05 -0.26 1.17 -0.54 -1.32 0.00 0.00 176.35 175.34 3h1o s LYS 163 N 2.19 4.18 0.14 1.98 1.02 0.43 -0.92 119.74 128.76 3h1o s LYS 163 Ca 0.17 1.86 0.11 0.00 0.02 0.00 0.00 55.97 58.13 3h1o s LYS 163 Cb -0.16 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 3h1o s LYS 163 CO 0.10 -0.22 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.54 3h1o s LEU 164 N -2.27 2.34 0.04 3.17 1.43 -0.47 -0.16 118.68 122.75 3h1o s LEU 164 Ca 0.54 -0.77 -0.33 0.00 -1.03 0.00 0.00 54.13 52.54 3h1o s LEU 164 Cb -0.31 -1.21 -0.12 0.00 0.03 0.00 0.00 46.19 44.57 3h1o s LEU 164 CO 0.40 0.17 1.77 0.52 0.23 0.00 0.00 176.35 179.44 3h1o n VAL 165 N 0.79 0.35 0.00 -1.59 0.31 -0.38 -1.25 118.33 116.55 3h1o n VAL 165 Ca -0.17 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3h1o n VAL 165 Cb 0.54 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 3h1o n VAL 165 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h1o n GLY 166 N 4.03 1.54 0.00 2.92 0.00 -1.26 -4.69 105.19 107.73 3h1o n GLY 166 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3h1o n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1o n GLY 167 N -0.97 0.21 0.00 -0.02 0.00 -0.38 -5.08 105.19 98.94 3h1o n GLY 167 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3h1o n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1o n GLY 168 N -1.83 -0.52 3.03 -0.02 0.00 -1.25 -4.82 105.19 99.79 3h1o n GLY 168 Ca 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.17 3h1o n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h1o s HIS 169 N -0.51 0.42 -0.14 1.61 0.09 -1.26 -1.37 115.29 114.14 3h1o s HIS 169 Ca 0.00 -0.65 0.01 0.00 -0.00 0.00 0.00 55.06 54.42 3h1o s HIS 169 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 32.58 32.29 3h1o s HIS 169 CO 0.00 -0.21 -0.18 -1.17 -0.00 0.00 0.00 174.74 173.18 3h1o s LEU 170 N -1.87 2.34 -0.03 0.89 2.96 -0.09 -4.93 118.68 117.95 3h1o s LEU 170 Ca -0.09 -0.51 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 3h1o s LEU 170 Cb -0.06 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 3h1o s LEU 170 CO -0.03 0.10 0.24 -0.63 -1.32 0.00 0.00 176.35 174.71 3h1o s ILE 171 N 0.71 5.35 0.07 6.68 1.09 -1.26 -0.82 121.20 133.01 3h1o s ILE 171 Ca -0.08 0.21 0.03 0.00 -1.10 0.00 0.00 60.65 59.71 3h1o s ILE 171 Cb -0.16 -3.53 -0.03 0.00 -1.06 0.00 0.00 42.46 37.68 3h1o s ILE 171 CO 0.01 0.45 -0.09 0.00 -0.10 0.00 0.00 174.94 175.22 3h1o s ASN 173 N -2.18 4.77 -0.15 0.00 3.84 -0.15 -0.49 114.94 120.59 3h1o s ASN 173 Ca 0.00 -0.00 -0.03 0.00 0.21 0.00 0.00 52.86 53.04 3h1o s ASN 173 Cb -0.04 -1.31 -0.02 0.00 -0.55 0.00 0.00 41.25 39.32 3h1o s ASN 173 CO -0.01 0.34 -0.06 -0.36 -2.79 0.00 0.00 177.10 174.22 3h1o s PHE 174 N -0.67 2.97 -0.14 0.43 0.40 0.37 -0.83 117.98 120.51 3h1o s PHE 174 Ca 0.10 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 3h1o s PHE 174 Cb -0.11 -1.92 0.02 0.00 0.51 0.00 0.00 43.02 41.51 3h1o s PHE 174 CO 0.02 -0.07 -0.15 0.15 0.70 0.00 0.00 175.22 175.87 3h1o s LYS 175 N 0.32 2.37 0.02 0.44 1.02 -0.62 -2.39 119.74 120.91 3h1o s LYS 175 Ca -0.06 -0.60 0.05 0.00 0.02 0.00 0.00 55.97 55.38 3h1o s LYS 175 Cb -0.15 -2.09 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 3h1o s LYS 175 CO 0.04 -0.17 -0.14 0.99 -0.92 0.00 0.00 175.35 175.15 3h1o s THR 176 N 1.28 1.09 -0.15 2.17 2.01 -0.46 -1.11 115.64 120.48 3h1o s THR 176 Ca 0.01 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.17 3h1o s THR 176 Cb -0.14 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.42 3h1o s THR 176 CO -0.08 0.09 -0.22 -0.89 -0.69 0.00 0.00 174.62 172.84 3h1o s THR 177 N -0.69 2.06 -0.13 -0.82 2.01 -0.30 -1.26 115.64 116.51 3h1o s THR 177 Ca 0.03 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 3h1o s THR 177 Cb -0.07 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 3h1o s THR 177 CO 0.01 0.55 0.01 -0.31 -0.69 0.00 0.00 174.62 174.18 3h1o s TYR 178 N 0.89 3.15 -0.03 4.92 2.02 0.09 -1.45 117.35 126.95 3h1o s TYR 178 Ca -0.05 0.03 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 3h1o s TYR 178 Cb -0.15 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.51 3h1o s TYR 178 CO -0.04 0.26 -0.11 1.03 -1.57 0.00 0.00 175.55 175.12 3h1o s ARG 179 N -0.26 1.11 0.32 -0.62 0.52 -0.29 -1.31 118.95 118.42 3h1o s ARG 179 Ca 0.06 -0.38 -0.24 0.00 -0.52 0.00 0.00 55.73 54.65 3h1o s ARG 179 Cb -0.12 -1.02 -0.10 0.00 0.52 0.00 0.00 34.95 34.23 3h1o s ARG 179 CO 0.02 0.16 0.89 0.45 0.02 0.00 0.00 175.30 176.84 3h1o s SER 180 N 0.10 7.22 0.00 0.23 0.15 -1.26 -0.71 113.70 119.42 3h1o s SER 180 Ca -0.02 1.72 0.20 0.00 0.70 0.00 0.00 55.95 58.55 3h1o s SER 180 Cb -0.09 -2.54 0.55 0.00 -1.71 0.00 0.00 66.02 62.24 3h1o s SER 180 CO 0.01 -0.09 1.45 0.29 1.20 0.00 0.00 173.24 176.10 3h1o n LYS 181 N 0.42 2.13 -3.72 5.44 5.02 0.13 -4.87 118.16 122.72 3h1o n LYS 181 Ca 0.02 -1.72 -0.37 0.00 -2.02 0.00 0.00 58.31 54.22 3h1o n LYS 181 Cb 0.51 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 3h1o n LYS 181 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3h1o s LYS 182 N -1.57 3.64 0.23 1.97 2.20 -1.26 -4.83 119.74 120.12 3h1o s LYS 182 Ca 0.35 0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.73 3h1o s LYS 182 Cb 0.19 -3.18 -0.14 0.00 -1.51 0.00 0.00 37.83 33.19 3h1o s LYS 182 CO 0.27 0.73 1.30 -2.30 -0.36 0.00 0.00 175.35 174.99 3h1o n PRO 183 N 1.78 1.71 0.08 4.03 -0.02 -1.26 -4.84 135.00 136.49 3h1o n PRO 183 Ca -0.16 0.61 0.20 0.00 -2.02 0.00 0.00 63.50 62.12 3h1o n PRO 183 Cb 0.54 -2.19 0.75 0.00 -0.02 0.00 0.00 33.50 32.57 3h1o n PRO 183 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h1o h ALA 184 N 3.72 2.18 -0.95 3.55 0.00 -1.94 -0.85 119.26 124.96 3h1o h ALA 184 Ca -0.44 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.72 3h1o h ALA 184 Cb 1.30 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 3h1o h ALA 184 CO 0.72 -0.58 0.67 0.87 0.00 0.00 0.00 179.25 180.93 3h1o h LYS 185 N 0.00 0.10 -0.47 0.00 1.57 -2.04 -1.51 116.57 114.22 3h1o h LYS 185 Ca 0.19 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.86 3h1o h LYS 185 Cb 0.94 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.16 3h1o h LYS 185 CO -0.00 0.06 0.09 0.09 -0.57 0.00 0.00 179.45 179.12 3h1o n ASN 186 N -4.33 4.12 -3.93 0.86 3.02 -0.32 -4.94 115.26 109.74 3h1o n ASN 186 Ca 0.20 -3.22 -0.25 0.00 -0.03 0.00 0.00 54.58 51.29 3h1o n ASN 186 Cb 0.96 -0.64 -0.17 0.00 -0.61 0.00 0.00 39.78 39.31 3h1o n ASN 186 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h1o s LEU 187 N -2.96 1.32 -0.35 3.41 1.43 -0.57 -4.98 118.68 115.97 3h1o s LEU 187 Ca 0.48 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 3h1o s LEU 187 Cb 0.40 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 3h1o s LEU 187 CO 0.09 -0.06 0.44 -0.75 0.23 0.00 0.00 176.35 176.30 3h1o s LYS 188 N 1.24 3.57 0.41 1.70 2.20 -1.26 -4.99 119.74 122.60 3h1o s LYS 188 Ca -0.04 -0.31 -0.24 0.00 -0.36 0.00 0.00 55.97 55.01 3h1o s LYS 188 Cb -0.14 -3.81 -0.09 0.00 -1.51 0.00 0.00 37.83 32.28 3h1o s LYS 188 CO -0.03 -0.60 1.07 -1.64 -0.36 0.00 0.00 175.35 173.80 3h1o s MET 189 N 2.20 4.09 0.55 4.03 -1.94 -1.26 -4.80 119.30 122.17 3h1o s MET 189 Ca 0.15 1.56 -0.06 0.00 -1.71 0.00 0.00 55.69 55.63 3h1o s MET 189 Cb -0.16 -2.51 -0.02 0.00 2.01 0.00 0.00 34.83 34.15 3h1o s MET 189 CO 0.12 -0.22 0.87 -2.14 -0.01 0.00 0.00 175.02 173.65 3h1o s PRO 190 N -2.54 3.26 0.00 2.03 0.02 -1.26 -4.93 135.00 131.58 3h1o s PRO 190 Ca 0.59 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.79 3h1o s PRO 190 Cb -0.23 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.00 3h1o s PRO 190 CO 0.29 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 176.88 3h1o n GLY 191 N -2.48 0.54 3.75 0.52 0.00 -1.26 -4.37 105.19 101.89 3h1o n GLY 191 Ca 0.03 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 3h1o n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1o s VAL 192 N 0.81 3.33 0.24 1.61 1.01 -1.26 -4.53 120.40 121.60 3h1o s VAL 192 Ca 0.00 1.19 -0.08 0.00 0.00 0.00 0.00 61.98 63.10 3h1o s VAL 192 Cb 0.00 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.65 3h1o s VAL 192 CO 0.00 0.23 0.45 0.00 0.00 0.00 0.00 175.10 175.78 3h1o n TYR 193 N 1.94 -1.73 -4.06 5.22 4.11 -0.35 -4.95 117.16 117.35 3h1o n TYR 193 Ca 0.03 -1.16 -0.13 0.00 -0.00 0.00 0.00 57.90 56.63 3h1o n TYR 193 Cb 0.44 0.53 -0.12 0.00 -0.00 0.00 0.00 39.34 40.19 3h1o n TYR 193 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 3h1o s TYR 194 N -4.73 0.61 -0.09 -3.48 2.02 -0.33 -0.54 117.35 110.81 3h1o s TYR 194 Ca 0.11 -0.48 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 3h1o s TYR 194 Cb -0.03 -0.37 0.01 0.00 -0.40 0.00 0.00 41.96 41.17 3h1o s TYR 194 CO 0.08 -0.09 -0.16 0.08 -1.57 0.00 0.00 175.55 173.89 3h1o s VAL 195 N -1.31 1.50 -0.14 0.71 1.01 -0.22 -0.25 120.40 121.70 3h1o s VAL 195 Ca -0.10 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 3h1o s VAL 195 Cb -0.09 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 3h1o s VAL 195 CO 0.00 0.44 0.18 -1.81 0.00 0.00 0.00 175.10 173.91 3h1o s ASP 196 N 0.71 6.38 0.04 3.32 1.01 -0.23 -0.71 116.67 127.19 3h1o s ASP 196 Ca -0.13 0.45 0.06 0.00 0.71 0.00 0.00 52.55 53.65 3h1o s ASP 196 Cb -0.16 -2.11 -0.02 0.00 1.01 0.00 0.00 42.92 41.64 3h1o s ASP 196 CO 0.03 0.29 -0.19 -0.31 0.21 0.00 0.00 175.17 175.21 3h1o s TYR 197 N -0.43 1.64 -0.24 4.23 1.51 0.09 -1.14 117.35 123.00 3h1o s TYR 197 Ca 0.14 -0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 3h1o s TYR 197 Cb -0.12 -0.98 0.07 0.00 -0.11 0.00 0.00 41.96 40.81 3h1o s TYR 197 CO 0.03 0.07 0.01 0.50 -1.11 0.00 0.00 175.55 175.05 3h1o s ARG 198 N -1.09 1.14 -0.22 -0.62 3.52 -0.25 -1.52 118.95 119.90 3h1o s ARG 198 Ca 0.06 -0.87 -0.06 0.00 -0.13 0.00 0.00 55.73 54.73 3h1o s ARG 198 Cb -0.08 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.92 3h1o s ARG 198 CO 0.01 -0.70 0.04 -1.17 -0.81 0.00 0.00 175.30 172.67 3h1o s LEU 199 N 1.56 3.40 -0.01 -0.88 0.20 -1.26 -2.17 118.68 119.52 3h1o s LEU 199 Ca -0.01 -0.17 0.04 0.00 0.69 0.00 0.00 54.13 54.68 3h1o s LEU 199 Cb -0.18 -1.89 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 3h1o s LEU 199 CO -0.10 0.03 -0.12 -1.61 -0.29 0.00 0.00 176.35 174.25 3h1o s GLU 200 N 1.23 1.06 -0.20 1.98 2.02 0.09 -4.49 118.70 120.38 3h1o s GLU 200 Ca 0.04 -0.44 -0.26 0.00 0.02 0.00 0.00 54.97 54.32 3h1o s GLU 200 Cb -0.15 -1.01 -0.00 0.00 0.10 0.00 0.00 34.13 33.07 3h1o s GLU 200 CO 0.02 0.25 0.90 0.50 0.02 0.00 0.00 175.26 176.96 3h1o s ARG 201 N -0.22 4.26 -0.17 1.61 6.06 -1.26 -0.63 118.95 128.59 3h1o s ARG 201 Ca 0.04 1.12 0.08 0.00 -2.50 0.00 0.00 55.73 54.46 3h1o s ARG 201 Cb -0.06 -3.61 -0.23 0.00 0.06 0.00 0.00 34.95 31.12 3h1o s ARG 201 CO -0.00 -0.47 0.16 -0.89 -2.50 0.00 0.00 175.30 171.59 3h1o n ILE 202 N 5.05 1.53 -3.62 4.11 2.08 0.31 -4.97 119.36 123.85 3h1o n ILE 202 Ca 0.07 -0.73 -0.14 0.00 0.56 0.00 0.00 62.75 62.51 3h1o n ILE 202 Cb 0.48 -1.08 -0.06 0.00 -0.75 0.00 0.00 39.64 38.22 3h1o n ILE 202 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3h1o s LYS 203 N -2.53 0.95 0.01 0.38 2.20 -1.09 -4.98 119.74 114.68 3h1o s LYS 203 Ca -0.18 -0.17 -0.02 0.00 -0.36 0.00 0.00 55.97 55.25 3h1o s LYS 203 Cb 0.07 0.43 -0.01 0.00 -1.51 0.00 0.00 37.83 36.81 3h1o s LYS 203 CO 0.75 -0.32 0.01 -1.83 -0.36 0.00 0.00 175.35 173.61 3h1o s GLU 204 N -2.02 0.31 0.05 4.03 4.04 -1.26 -0.75 118.70 123.10 3h1o s GLU 204 Ca -0.08 -0.48 0.01 0.00 0.04 0.00 0.00 54.97 54.47 3h1o s GLU 204 Cb -0.01 0.11 -0.03 0.00 0.02 0.00 0.00 34.13 34.22 3h1o s GLU 204 CO 0.01 -0.06 -0.05 0.00 -1.84 0.00 0.00 175.26 173.32 3h1o s ALA 205 N -1.24 0.56 -1.24 -0.84 0.00 0.17 -4.91 121.76 114.26 3h1o s ALA 205 Ca -0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 3h1o s ALA 205 Cb -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 3h1o s ALA 205 CO -0.00 -0.17 0.75 -0.25 0.00 0.00 0.00 175.76 176.08 3h1o n ASP 206 N 0.87 -2.53 -3.47 0.00 8.00 -1.26 -1.90 116.55 116.25 3h1o n ASP 206 Ca -0.19 -0.83 -0.18 0.00 0.71 0.00 0.00 54.79 54.30 3h1o n ASP 206 Cb 0.57 -4.11 0.08 0.00 -0.02 0.00 0.00 41.12 37.64 3h1o n ASP 206 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3h1o n LYS 207 N -4.12 -6.27 -1.83 -1.24 4.76 -1.26 -2.45 118.16 105.74 3h1o n LYS 207 Ca -0.24 0.81 -0.18 0.00 -2.87 0.00 0.00 58.31 55.83 3h1o n LYS 207 Cb 0.66 -5.75 -0.05 0.00 -1.84 0.00 0.00 35.03 28.05 3h1o n LYS 207 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3h1o n GLU 208 N -4.14 -1.31 0.06 1.97 1.02 -1.11 -4.62 120.64 112.51 3h1o n GLU 208 Ca -0.29 1.03 0.12 0.00 -0.02 0.00 0.00 57.16 58.00 3h1o n GLU 208 Cb 0.67 -5.38 0.26 0.00 -0.02 0.00 0.00 31.44 26.97 3h1o n GLU 208 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3h1o n THR 209 N -3.07 0.36 -4.83 2.62 -2.24 -0.93 -4.67 114.28 101.52 3h1o n THR 209 Ca -0.19 -0.24 -0.27 0.00 -2.27 0.00 0.00 64.05 61.08 3h1o n THR 209 Cb 0.62 -0.22 -0.17 0.00 -2.10 0.00 0.00 70.33 68.46 3h1o n THR 209 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3h1o s TYR 210 N -3.13 1.84 -0.04 4.78 6.14 -0.80 -0.88 117.35 125.26 3h1o s TYR 210 Ca 0.08 -0.67 -0.01 0.00 0.64 0.00 0.00 57.07 57.11 3h1o s TYR 210 Cb 0.14 -1.28 0.03 0.00 0.42 0.00 0.00 41.96 41.28 3h1o s TYR 210 CO 0.68 -0.29 0.08 0.08 0.64 0.00 0.00 175.55 176.75 3h1o s VAL 211 N 0.41 -0.08 -0.21 3.14 1.01 -0.18 -0.66 120.40 123.83 3h1o s VAL 211 Ca -0.13 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 3h1o s VAL 211 Cb -0.15 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.03 3h1o s VAL 211 CO 0.05 0.10 0.09 -0.70 0.00 0.00 0.00 175.10 174.64 3h1o s GLU 212 N 1.30 3.93 0.06 2.72 2.12 0.07 0.23 118.70 129.14 3h1o s GLU 212 Ca -0.07 -0.36 0.08 0.00 0.36 0.00 0.00 54.97 54.98 3h1o s GLU 212 Cb -0.12 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3h1o s GLU 212 CO -0.04 0.11 -0.21 -0.65 -0.54 0.00 0.00 175.26 173.93 3h1o s GLN 213 N 0.85 1.28 -0.01 4.30 -0.21 -0.36 -0.53 119.66 124.97 3h1o s GLN 213 Ca 0.05 -1.02 0.04 0.00 0.02 0.00 0.00 55.36 54.46 3h1o s GLN 213 Cb -0.13 -1.45 -0.01 0.00 1.00 0.00 0.00 33.01 32.42 3h1o s GLN 213 CO 0.03 0.36 -0.14 -1.58 -2.12 0.00 0.00 175.29 171.83 3h1o s HIS 214 N -0.93 1.30 0.01 0.91 5.65 0.20 -1.26 115.29 121.17 3h1o s HIS 214 Ca 0.07 -0.26 0.03 0.00 0.25 0.00 0.00 55.06 55.15 3h1o s HIS 214 Cb -0.09 -0.84 -0.01 0.00 -1.18 0.00 0.00 32.58 30.45 3h1o s HIS 214 CO 0.03 -0.04 -0.11 -2.00 -0.65 0.00 0.00 174.74 171.97 3h1o s GLU 215 N -0.28 0.80 -0.04 2.88 2.12 -0.65 -0.73 118.70 122.80 3h1o s GLU 215 Ca 0.04 -0.52 0.05 0.00 0.36 0.00 0.00 54.97 54.90 3h1o s GLU 215 Cb -0.06 -0.76 -0.01 0.00 0.26 0.00 0.00 34.13 33.56 3h1o s GLU 215 CO -0.00 0.20 -0.19 0.54 -0.54 0.00 0.00 175.26 175.26 3h1o s VAL 216 N -0.56 1.56 -0.04 3.70 0.11 -0.92 -1.72 120.40 122.52 3h1o s VAL 216 Ca 0.01 -0.80 -0.03 0.00 -2.93 0.00 0.00 61.98 58.23 3h1o s VAL 216 Cb -0.06 -1.32 0.02 0.00 -1.53 0.00 0.00 36.38 33.49 3h1o s VAL 216 CO 0.00 0.44 0.10 0.00 -3.33 0.00 0.00 175.10 172.32 3h1o s ALA 217 N -0.14 -0.19 -0.06 1.54 0.00 -0.11 -1.09 121.76 121.71 3h1o s ALA 217 Ca -0.00 0.42 0.02 0.00 0.00 0.00 0.00 51.96 52.40 3h1o s ALA 217 Cb -0.11 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3h1o s ALA 217 CO 0.02 -0.10 -0.10 0.08 0.00 0.00 0.00 175.76 175.66 3h1o s VAL 218 N 0.62 0.97 0.12 0.00 1.01 -0.29 -1.56 120.40 121.27 3h1o s VAL 218 Ca -0.05 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 3h1o s VAL 218 Cb -0.07 -0.90 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 3h1o s VAL 218 CO -0.03 0.32 0.63 0.00 0.00 0.00 0.00 175.10 176.02 3h1o s ALA 219 N 0.67 3.53 0.13 5.51 0.00 0.15 -1.07 121.76 130.68 3h1o s ALA 219 Ca -0.13 0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.80 3h1o s ALA 219 Cb -0.15 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.27 3h1o s ALA 219 CO 0.03 0.37 0.34 -0.98 0.00 0.00 0.00 175.76 175.52 3h1o s ARG 220 N -1.34 1.06 0.45 0.00 1.70 0.65 -2.99 118.95 118.48 3h1o s ARG 220 Ca 0.33 -0.86 -0.03 0.00 -0.47 0.00 0.00 55.73 54.71 3h1o s ARG 220 Cb -0.19 0.43 0.09 0.00 -0.57 0.00 0.00 34.95 34.71 3h1o s ARG 220 CO 0.21 -0.40 0.62 0.66 -1.08 0.00 0.00 175.30 175.31 3h1o n TYR 221 N -0.19 -3.35 -2.95 5.89 4.02 -1.26 -1.19 117.16 118.12 3h1o n TYR 221 Ca -0.14 -0.92 -0.41 0.00 -0.01 0.00 0.00 57.90 56.42 3h1o n TYR 221 Cb 0.63 -0.46 -0.04 0.00 -0.02 0.00 0.00 39.34 39.45 3h1o n TYR 221 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3h1o n ASP 223 N 4.81 0.49 -4.67 0.00 3.85 -1.26 -4.90 116.55 114.87 3h1o n ASP 223 Ca 0.02 0.33 -0.42 0.00 -0.71 0.00 0.00 54.79 54.02 3h1o n ASP 223 Cb 0.50 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 3h1o n ASP 223 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 3h1o n LEU 224 N -1.88 3.29 -4.73 -2.12 4.77 -1.26 -4.92 117.00 110.15 3h1o n LEU 224 Ca 0.06 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 56.85 3h1o n LEU 224 Cb 0.39 -1.44 0.10 0.00 -2.33 0.00 0.00 43.42 40.13 3h1o n LEU 224 CO 0.31 -0.81 0.76 -2.16 -1.33 0.00 0.00 177.39 174.16 3h1o s PRO 225 N -1.94 2.11 -0.04 3.23 0.04 -1.26 -5.02 135.00 132.11 3h1o s PRO 225 Ca 0.58 1.60 0.06 0.00 0.04 0.00 0.00 61.00 63.28 3h1o s PRO 225 Cb -0.57 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 3h1o s PRO 225 CO 0.60 -1.83 -0.21 0.45 0.04 0.00 0.00 177.00 176.06 3h1o s SER 226 N -2.37 3.47 0.16 6.66 0.15 -1.26 -5.02 113.70 115.49 3h1o s SER 226 Ca 0.70 -0.37 0.12 0.00 0.70 0.00 0.00 55.95 57.10 3h1o s SER 226 Cb -0.25 -0.70 -0.09 0.00 -1.71 0.00 0.00 66.02 63.26 3h1o s SER 226 CO 0.47 0.31 1.24 0.11 1.20 0.00 0.00 173.24 176.57 3h1o h LYS 227 N 5.62 0.00 -0.02 5.44 1.57 -2.06 -3.57 116.57 123.56 3h1o h LYS 227 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3h1o h LYS 227 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3h1o h LYS 227 CO 0.49 0.67 0.00 1.28 -0.57 0.00 0.00 179.45 181.32