#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a47 n LYS 6 N 0.00 0.13 0.09 1.20 5.02 -1.26 -1.08 118.16 122.26 2a47 n LYS 6 Ca 0.00 0.62 -0.04 0.00 -2.02 0.00 0.00 58.31 56.88 2a47 n LYS 6 Cb 0.00 -2.00 -0.04 0.00 -0.02 0.00 0.00 35.03 32.98 2a47 n LYS 6 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2a47 h PHE 7 N 0.00 0.00 -3.75 2.13 -1.00 -1.96 -3.42 116.94 108.94 2a47 h PHE 7 Ca 0.00 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 2a47 h PHE 7 Cb 0.15 0.00 -0.20 0.00 3.61 0.00 0.00 35.95 39.51 2a47 h PHE 7 CO 0.00 0.82 -0.54 0.42 -1.61 0.00 0.00 178.31 177.40 2a47 s ILE 8 N -2.90 4.96 0.52 -0.55 -1.09 -0.25 -4.91 121.20 116.99 2a47 s ILE 8 Ca 0.01 -0.13 0.03 0.00 -2.23 0.00 0.00 60.65 58.33 2a47 s ILE 8 Cb 0.10 -3.45 0.10 0.00 -1.58 0.00 0.00 42.46 37.63 2a47 s ILE 8 CO 0.79 0.15 0.72 0.61 -1.23 0.00 0.00 174.94 175.98 2a47 n GLY 9 N 5.03 1.12 0.18 6.18 0.00 -1.26 -4.87 105.19 111.58 2a47 n GLY 9 Ca -0.14 -2.08 0.04 0.00 0.00 0.00 0.00 46.02 43.84 2a47 n GLY 9 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2a47 h ASP 10 N -0.27 0.00 -3.34 1.61 3.45 -1.97 -3.40 116.42 112.49 2a47 h ASP 10 Ca -0.24 0.00 -0.51 0.00 0.43 0.00 0.00 57.03 56.71 2a47 h ASP 10 Cb 0.95 0.00 -0.35 0.00 -0.56 0.00 0.00 39.33 39.37 2a47 h ASP 10 CO 0.28 0.40 -0.81 -1.81 -1.57 0.00 0.00 179.24 175.73 2a47 s ASP 11 N -6.64 1.84 0.20 6.45 1.11 -1.26 -4.06 116.67 114.31 2a47 s ASP 11 Ca -0.01 -0.29 0.06 0.00 0.18 0.00 0.00 52.55 52.49 2a47 s ASP 11 Cb 0.13 -0.80 -0.05 0.00 1.07 0.00 0.00 42.92 43.27 2a47 s ASP 11 CO 0.70 -0.03 -0.11 -0.04 1.18 0.00 0.00 175.17 176.88 2a47 s MET 12 N 1.04 1.27 0.21 8.23 -1.94 0.39 -4.95 119.30 123.54 2a47 s MET 12 Ca -0.08 -1.57 0.10 0.00 -1.71 0.00 0.00 55.69 52.43 2a47 s MET 12 Cb -0.15 -0.93 -0.04 0.00 2.01 0.00 0.00 34.83 35.72 2a47 s MET 12 CO -0.01 0.11 -0.11 0.15 -0.01 0.00 0.00 175.02 175.15 2a47 s LYS 13 N -3.70 1.97 0.02 2.03 1.02 0.36 -0.61 119.74 120.83 2a47 s LYS 13 Ca 0.22 -1.39 0.01 0.00 0.02 0.00 0.00 55.97 54.83 2a47 s LYS 13 Cb 0.01 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.24 2a47 s LYS 13 CO 0.05 0.41 -0.04 -1.64 -0.92 0.00 0.00 175.35 173.21 2a47 s MET 14 N -3.02 0.31 -0.01 1.68 -1.94 -0.30 -0.91 119.30 115.11 2a47 s MET 14 Ca 0.26 -0.50 0.02 0.00 -1.71 0.00 0.00 55.69 53.76 2a47 s MET 14 Cb -0.08 -0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.73 2a47 s MET 14 CO 0.15 -0.01 -0.07 0.99 -0.01 0.00 0.00 175.02 176.07 2a47 s THR 15 N -1.08 0.56 0.04 2.05 2.01 -0.21 -1.15 115.64 117.87 2a47 s THR 15 Ca -0.11 -0.31 0.04 0.00 0.31 0.00 0.00 61.69 61.63 2a47 s THR 15 Cb -0.08 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 2a47 s THR 15 CO -0.00 0.16 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.64 2a47 s TYR 16 N -0.17 1.12 -0.04 4.92 1.51 -0.24 -0.64 117.35 123.81 2a47 s TYR 16 Ca 0.03 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.69 2a47 s TYR 16 Cb -0.03 -0.66 0.03 0.00 -0.11 0.00 0.00 41.96 41.20 2a47 s TYR 16 CO -0.00 0.02 0.07 -1.58 -1.11 0.00 0.00 175.55 172.95 2a47 s HIS 17 N -0.97 0.01 -0.03 2.71 2.46 -0.10 -1.93 115.29 117.44 2a47 s HIS 17 Ca -0.01 0.27 0.04 0.00 0.47 0.00 0.00 55.06 55.83 2a47 s HIS 17 Cb -0.08 -0.35 -0.00 0.00 -0.13 0.00 0.00 32.58 32.02 2a47 s HIS 17 CO 0.01 -0.16 -0.14 1.41 -2.47 0.00 0.00 174.74 173.39 2a47 s MET 18 N 1.75 1.41 -0.20 2.88 0.00 -0.16 -0.59 119.30 124.40 2a47 s MET 18 Ca -0.01 -0.51 -0.03 0.00 0.00 0.00 0.00 55.69 55.14 2a47 s MET 18 Cb -0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 34.83 33.42 2a47 s MET 18 CO -0.04 0.23 -0.05 -0.51 0.00 0.00 0.00 175.02 174.65 2a47 s ASP 19 N -0.01 4.33 0.26 1.11 1.01 -0.18 -0.67 116.67 122.52 2a47 s ASP 19 Ca -0.01 -0.34 -0.01 0.00 0.71 0.00 0.00 52.55 52.89 2a47 s ASP 19 Cb -0.09 -1.73 -0.03 0.00 1.01 0.00 0.00 42.92 42.08 2a47 s ASP 19 CO 0.01 0.04 0.27 -0.83 0.21 0.00 0.00 175.17 174.87 2a47 s GLY 20 N 1.13 1.49 -0.19 0.21 0.00 -0.38 -1.67 107.32 107.93 2a47 s GLY 20 Ca 0.02 -1.62 -0.08 0.00 0.00 0.00 0.00 44.72 43.04 2a47 s GLY 20 CO -0.01 -1.23 0.42 0.00 0.00 0.00 0.00 173.10 172.28 2a47 s VAL 22 N 2.26 1.13 -1.53 0.00 1.01 -0.50 0.24 120.40 123.01 2a47 s VAL 22 Ca -0.04 -0.36 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 2a47 s VAL 22 Cb -0.11 -1.12 0.08 0.00 0.00 0.00 0.00 36.38 35.23 2a47 s VAL 22 CO -0.13 0.38 0.90 0.59 0.00 0.00 0.00 175.10 176.84 2a47 n ASN 23 N 4.86 -3.95 0.00 3.32 4.13 0.73 -0.38 115.26 123.98 2a47 n ASN 23 Ca -0.14 -0.83 0.00 0.00 1.68 0.00 0.00 54.58 55.30 2a47 n ASN 23 Cb 0.50 -3.71 0.00 0.00 -1.54 0.00 0.00 39.78 35.03 2a47 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2a47 n GLY 24 N -1.66 2.71 3.57 7.41 0.00 -1.26 -4.99 105.19 110.98 2a47 n GLY 24 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2a47 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2a47 s HIS 25 N -2.17 3.02 0.36 1.61 3.76 0.49 -5.04 115.29 117.32 2a47 s HIS 25 Ca 0.00 0.45 -0.19 0.00 -0.15 0.00 0.00 55.06 55.17 2a47 s HIS 25 Cb 0.00 -3.69 -0.10 0.00 1.11 0.00 0.00 32.58 29.90 2a47 s HIS 25 CO 0.00 -0.93 0.84 0.71 -0.85 0.00 0.00 174.74 174.51 2a47 s TYR 26 N 3.43 3.39 0.25 1.40 1.51 -1.26 -1.41 117.35 124.65 2a47 s TYR 26 Ca 0.34 1.43 -0.22 0.00 -1.01 0.00 0.00 57.07 57.62 2a47 s TYR 26 Cb -0.12 -2.70 0.03 0.00 -0.11 0.00 0.00 41.96 39.07 2a47 s TYR 26 CO 0.22 0.03 0.78 -0.59 -1.11 0.00 0.00 175.55 174.88 2a47 s PHE 27 N -2.01 -0.16 0.07 2.71 -0.12 -0.64 -0.41 117.98 117.42 2a47 s PHE 27 Ca 0.56 -0.27 0.01 0.00 -0.05 0.00 0.00 56.93 57.18 2a47 s PHE 27 Cb -0.11 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 2a47 s PHE 27 CO 0.16 -1.16 -0.05 -0.08 -0.05 0.00 0.00 175.22 174.05 2a47 s THR 28 N -3.68 0.45 -0.00 -4.49 -1.32 -0.67 -1.24 115.64 104.69 2a47 s THR 28 Ca 0.12 -1.66 0.01 0.00 -1.21 0.00 0.00 61.69 58.95 2a47 s THR 28 Cb -0.05 -1.32 -0.00 0.00 -1.51 0.00 0.00 72.50 69.62 2a47 s THR 28 CO 0.06 -0.80 -0.02 -0.69 -2.21 0.00 0.00 174.62 170.96 2a47 s VAL 29 N -3.15 0.18 0.09 5.08 1.01 0.15 -0.95 120.40 122.81 2a47 s VAL 29 Ca 0.04 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.98 2a47 s VAL 29 Cb 0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.21 2a47 s VAL 29 CO -0.05 0.04 -0.21 -0.54 0.00 0.00 0.00 175.10 174.33 2a47 s LYS 30 N -0.09 1.19 0.20 2.72 -0.14 -0.69 -0.99 119.74 121.94 2a47 s LYS 30 Ca 0.00 -1.13 -0.23 0.00 -1.36 0.00 0.00 55.97 53.26 2a47 s LYS 30 Cb -0.01 -1.44 0.05 0.00 -1.68 0.00 0.00 37.83 34.75 2a47 s LYS 30 CO -0.00 0.34 0.69 0.20 -0.76 0.00 0.00 175.35 175.83 2a47 s GLY 31 N -1.76 -0.37 -0.11 -3.33 0.00 -0.81 -0.12 107.32 100.81 2a47 s GLY 31 Ca 0.07 0.18 -0.12 0.00 0.00 0.00 0.00 44.72 44.85 2a47 s GLY 31 CO 0.04 0.06 0.34 -0.54 0.00 0.00 0.00 173.10 173.00 2a47 s GLU 32 N -3.74 0.44 0.36 2.90 8.01 -0.65 -1.08 118.70 124.95 2a47 s GLU 32 Ca 0.06 0.38 -0.08 0.00 0.01 0.00 0.00 54.97 55.34 2a47 s GLU 32 Cb -0.03 0.21 0.03 0.00 -4.31 0.00 0.00 34.13 30.03 2a47 s GLU 32 CO -0.04 -0.07 0.62 0.41 0.01 0.00 0.00 175.26 176.20 2a47 n GLY 33 N 2.65 1.56 3.03 -1.39 0.00 -0.30 -0.41 105.19 110.33 2a47 n GLY 33 Ca -0.14 -1.42 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 2a47 n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2a47 s ASN 34 N -3.05 0.71 0.19 1.61 0.01 0.44 -1.15 114.94 113.70 2a47 s ASN 34 Ca 0.22 -0.47 -0.18 0.00 -0.71 0.00 0.00 52.86 51.73 2a47 s ASN 34 Cb -0.03 0.03 0.03 0.00 0.41 0.00 0.00 41.25 41.69 2a47 s ASN 34 CO 0.16 -0.17 0.52 -0.83 -1.51 0.00 0.00 177.10 175.26 2a47 s GLY 35 N -1.32 -0.12 -0.47 0.66 0.00 0.22 -1.02 107.32 105.27 2a47 s GLY 35 Ca -0.09 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.48 2a47 s GLY 35 CO 0.00 -0.25 0.21 0.54 0.00 0.00 0.00 173.10 173.60 2a47 s LYS 36 N -3.86 1.76 0.25 2.90 1.02 0.44 -0.46 119.74 121.79 2a47 s LYS 36 Ca 0.08 -2.35 -0.02 0.00 0.02 0.00 0.00 55.97 53.70 2a47 s LYS 36 Cb -0.01 -3.15 0.49 0.00 -0.52 0.00 0.00 37.83 34.64 2a47 s LYS 36 CO -0.04 -1.07 1.76 -1.35 -0.92 0.00 0.00 175.35 173.73 2a47 h PRO 37 N 6.81 0.58 0.00 -1.68 0.11 -1.77 -1.25 132.00 134.80 2a47 h PRO 37 Ca -0.07 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 2a47 h PRO 37 Cb 0.93 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2a47 h PRO 37 CO 0.62 0.39 -0.25 1.88 -0.21 0.00 0.00 178.00 180.43 2a47 h TYR 38 N 0.60 0.00 -0.00 0.65 -1.99 -1.84 -2.96 116.97 111.44 2a47 h TYR 38 Ca 0.44 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.17 2a47 h TYR 38 Cb 0.59 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.32 2a47 h TYR 38 CO -0.10 0.25 -0.46 0.39 -0.00 0.00 0.00 178.16 178.24 2a47 n GLU 39 N -3.23 0.01 -1.61 4.88 1.02 -0.84 -4.44 120.64 116.42 2a47 n GLU 39 Ca 0.02 -0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.10 2a47 n GLU 39 Cb 0.56 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.46 2a47 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2a47 n GLY 40 N 1.50 0.50 3.31 0.62 0.00 -0.53 -4.59 105.19 106.00 2a47 n GLY 40 Ca 0.06 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 2a47 n GLY 40 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2a47 s THR 41 N -2.25 1.71 -0.09 2.61 -4.23 -1.03 -1.02 115.64 111.35 2a47 s THR 41 Ca 0.00 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 2a47 s THR 41 Cb 0.00 -1.74 0.08 0.00 1.34 0.00 0.00 72.50 72.19 2a47 s THR 41 CO 0.00 -0.29 0.76 0.00 -0.54 0.00 0.00 174.62 174.56 2a47 s GLN 42 N -2.61 0.93 -0.01 3.99 -2.07 -0.87 -0.42 119.66 118.60 2a47 s GLN 42 Ca 0.13 0.27 -0.00 0.00 -1.82 0.00 0.00 55.36 53.94 2a47 s GLN 42 Cb -0.06 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 2a47 s GLN 42 CO 0.06 -0.28 0.02 0.95 -1.32 0.00 0.00 175.29 174.71 2a47 s THR 43 N -1.07 -0.01 0.08 3.63 -4.23 -0.19 -0.83 115.64 113.02 2a47 s THR 43 Ca -0.08 0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 2a47 s THR 43 Cb -0.00 -0.03 0.01 0.00 1.34 0.00 0.00 72.50 73.81 2a47 s THR 43 CO 0.07 0.01 0.24 -0.44 -0.54 0.00 0.00 174.62 173.96 2a47 s SER 44 N 0.11 0.02 -0.09 3.99 0.01 -0.39 -0.42 113.70 116.92 2a47 s SER 44 Ca -0.01 -0.48 0.04 0.00 1.31 0.00 0.00 55.95 56.81 2a47 s SER 44 Cb -0.01 0.35 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2a47 s SER 44 CO -0.00 -0.69 -0.21 -0.89 0.41 0.00 0.00 173.24 171.85 2a47 s THR 45 N -3.40 2.39 0.19 1.44 2.01 0.46 -1.39 115.64 117.34 2a47 s THR 45 Ca 0.01 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.18 2a47 s THR 45 Cb 0.02 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2a47 s THR 45 CO -0.09 0.56 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.86 2a47 s PHE 46 N 0.04 1.90 -0.16 4.92 0.40 0.81 -1.63 117.98 124.27 2a47 s PHE 46 Ca -0.08 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 55.78 2a47 s PHE 46 Cb -0.15 -0.92 0.04 0.00 0.51 0.00 0.00 43.02 42.50 2a47 s PHE 46 CO 0.05 0.39 -0.05 0.21 0.70 0.00 0.00 175.22 176.52 2a47 s LYS 47 N -2.98 1.39 -0.16 0.44 2.20 0.83 -1.36 119.74 120.10 2a47 s LYS 47 Ca 0.19 -0.47 -0.13 0.00 -0.36 0.00 0.00 55.97 55.20 2a47 s LYS 47 Cb -0.05 -1.93 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 2a47 s LYS 47 CO 0.08 -0.42 0.27 0.08 -0.36 0.00 0.00 175.35 175.00 2a47 s VAL 48 N 1.66 5.32 -0.29 4.02 1.01 0.69 -1.70 120.40 131.10 2a47 s VAL 48 Ca 0.01 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.51 2a47 s VAL 48 Cb -0.15 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2a47 s VAL 48 CO -0.08 0.41 -0.03 -0.89 0.00 0.00 0.00 175.10 174.51 2a47 s THR 49 N 0.37 2.49 0.33 3.92 2.01 -0.12 -4.82 115.64 119.81 2a47 s THR 49 Ca 0.16 -1.71 -0.28 0.00 0.31 0.00 0.00 61.69 60.17 2a47 s THR 49 Cb -0.13 -2.53 -0.09 0.00 0.01 0.00 0.00 72.50 69.76 2a47 s THR 49 CO 0.03 -0.18 1.17 -0.04 -0.69 0.00 0.00 174.62 174.91 2a47 s MET 50 N 1.11 4.38 0.36 4.92 -1.94 -1.26 -1.67 119.30 125.20 2a47 s MET 50 Ca -0.04 1.90 0.12 0.00 -1.71 0.00 0.00 55.69 55.97 2a47 s MET 50 Cb -0.20 -2.98 0.92 0.00 2.01 0.00 0.00 34.83 34.59 2a47 s MET 50 CO -0.04 -0.06 1.81 0.00 -0.01 0.00 0.00 175.02 176.72 2a47 h ALA 51 N 3.30 1.96 -0.86 3.03 0.00 -1.08 0.29 119.26 125.90 2a47 h ALA 51 Ca -0.48 0.05 -0.41 0.00 0.00 0.00 0.00 54.91 54.08 2a47 h ALA 51 Cb 1.22 -0.05 -0.24 0.00 0.00 0.00 0.00 17.79 18.72 2a47 h ALA 51 CO 0.65 -0.30 0.48 0.09 0.00 0.00 0.00 179.25 180.17 2a47 n ASN 52 N -4.64 3.89 -1.13 0.00 3.02 -1.26 -5.06 115.26 110.09 2a47 n ASN 52 Ca 0.22 -3.53 0.15 0.00 -0.03 0.00 0.00 54.58 51.39 2a47 n ASN 52 Cb 0.66 -0.79 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 2a47 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2a47 n GLY 53 N -0.90 -1.54 0.00 7.41 0.00 0.10 -5.01 105.19 105.26 2a47 n GLY 53 Ca 0.52 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2a47 n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a47 n GLY 54 N -3.43 0.17 3.60 -0.02 0.00 -1.26 -4.74 105.19 99.51 2a47 n GLY 54 Ca -0.00 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 2a47 n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2a47 s PRO 55 N -1.97 0.27 0.13 1.61 0.04 -1.26 -4.45 135.00 129.37 2a47 s PRO 55 Ca 0.00 1.18 -0.32 0.00 0.04 0.00 0.00 61.00 61.90 2a47 s PRO 55 Cb 0.00 -1.67 -0.11 0.00 0.04 0.00 0.00 34.50 32.76 2a47 s PRO 55 CO 0.00 -3.02 1.81 -0.11 0.04 0.00 0.00 177.00 175.71 2a47 n LEU 56 N -4.47 3.94 -0.02 -3.56 7.94 -1.22 -4.88 117.00 114.74 2a47 n LEU 56 Ca 0.08 1.00 0.14 0.00 -1.11 0.00 0.00 56.01 56.13 2a47 n LEU 56 Cb 0.53 -1.53 0.69 0.00 0.53 0.00 0.00 43.42 43.64 2a47 n LEU 56 CO 0.53 0.13 0.96 0.00 -1.11 0.00 0.00 177.39 177.91 2a47 n ALA 57 N 5.28 2.55 -3.60 1.96 0.00 -1.26 -4.92 120.51 120.52 2a47 n ALA 57 Ca 0.18 -0.17 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2a47 n ALA 57 Cb 0.36 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 2a47 n ALA 57 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2a47 s PHE 58 N -2.63 0.07 0.09 0.00 -0.12 -1.26 -4.73 117.98 109.40 2a47 s PHE 58 Ca 0.26 -0.52 -0.31 0.00 -0.05 0.00 0.00 56.93 56.31 2a47 s PHE 58 Cb 0.20 0.53 -0.09 0.00 -0.63 0.00 0.00 43.02 43.02 2a47 s PHE 58 CO 0.48 -1.19 1.78 0.45 -0.05 0.00 0.00 175.22 176.69 2a47 s SER 59 N -2.98 6.49 0.60 1.98 0.15 -0.06 -4.87 113.70 115.01 2a47 s SER 59 Ca 0.16 2.64 0.37 0.00 0.70 0.00 0.00 55.95 59.82 2a47 s SER 59 Cb -0.04 -2.56 1.92 0.00 -1.71 0.00 0.00 66.02 63.63 2a47 s SER 59 CO 0.09 -0.97 2.21 0.15 1.20 0.00 0.00 173.24 175.92 2a47 h PHE 60 N 8.74 0.00 -0.01 3.44 3.57 -1.93 -2.49 116.94 128.26 2a47 h PHE 60 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2a47 h PHE 60 Cb 1.21 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 2a47 h PHE 60 CO 0.81 0.03 0.04 -0.44 -2.23 0.00 0.00 178.31 176.52 2a47 h ASP 61 N 0.00 0.00 1.26 0.41 3.32 -1.96 0.17 116.42 119.63 2a47 h ASP 61 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2a47 h ASP 61 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2a47 h ASP 61 CO 0.00 0.00 0.00 0.16 -1.72 0.00 0.00 179.24 177.68 2a47 h ILE 62 N 0.00 0.00 0.00 0.35 3.07 -1.84 -3.25 117.51 115.84 2a47 h ILE 62 Ca 0.01 -0.53 -0.37 0.00 1.55 0.00 0.00 64.86 65.52 2a47 h ILE 62 Cb 0.09 1.45 -0.07 0.00 -0.27 0.00 0.00 36.82 38.02 2a47 h ILE 62 CO -0.00 0.00 -2.38 0.18 -1.05 0.00 0.00 178.15 174.90 2a47 n LEU 63 N -2.64 0.00 -0.31 0.16 4.77 0.53 -4.69 117.00 114.82 2a47 n LEU 63 Ca 0.03 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.10 2a47 n LEU 63 Cb 0.36 0.50 0.20 0.00 -2.33 0.00 0.00 43.42 42.15 2a47 n LEU 63 CO 0.27 0.50 0.76 0.77 -1.33 0.00 0.00 177.39 178.36 2a47 h SER 64 N 0.00 -0.57 0.94 -1.43 4.64 -1.36 0.30 113.55 116.06 2a47 h SER 64 Ca -0.55 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2a47 h SER 64 Cb 2.24 0.48 0.00 0.00 -0.31 0.00 0.00 62.40 64.81 2a47 h SER 64 CO 0.03 -0.29 0.00 0.71 -0.87 0.00 0.00 176.83 176.41 2a47 h THR 65 N 0.03 0.00 -0.03 2.95 1.35 -1.84 -2.77 112.91 112.61 2a47 h THR 65 Ca 0.49 -0.35 -0.24 0.00 -0.55 0.00 0.00 66.41 65.77 2a47 h THR 65 Cb 0.90 1.19 0.02 0.00 -1.73 0.00 0.00 68.15 68.53 2a47 h THR 65 CO -0.86 0.00 -0.90 0.58 -0.25 0.00 0.00 175.52 174.09 2a47 h VAL 66 N 0.00 1.31 0.00 6.82 2.07 -0.70 -3.44 116.25 122.31 2a47 h VAL 66 Ca 0.00 -2.15 -0.35 0.00 0.82 0.00 0.00 66.70 65.02 2a47 h VAL 66 Cb 0.47 2.34 0.03 0.00 -1.52 0.00 0.00 31.29 32.61 2a47 h VAL 66 CO 0.00 0.66 2.04 0.49 0.02 0.00 0.00 177.57 180.78 2a47 n PHE 67 N -3.95 1.00 0.00 1.57 0.99 -1.05 -5.06 117.46 110.96 2a47 n PHE 67 Ca -0.10 -1.44 0.00 0.00 -0.00 0.00 0.00 57.45 55.91 2a47 n PHE 67 Cb 0.81 -1.33 0.00 0.00 -1.00 0.00 0.00 39.48 37.96 2a47 n PHE 67 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2a47 n ASN 71 N 5.39 0.00 0.00 4.37 2.85 -1.26 -5.12 115.26 121.49 2a47 n ASN 71 Ca 0.34 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.84 2a47 n ASN 71 Cb 0.17 0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.32 2a47 n ASN 71 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2a47 n ARG 72 N 0.00 0.10 0.26 1.20 5.12 -1.26 -1.61 116.66 120.47 2a47 n ARG 72 Ca 0.00 0.15 0.13 0.00 -1.93 0.00 0.00 57.85 56.21 2a47 n ARG 72 Cb 0.00 -1.50 0.68 0.00 -1.16 0.00 0.00 32.46 30.48 2a47 n ARG 72 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2a47 n PHE 74 N -3.45 2.54 -4.00 0.00 3.01 -0.63 -4.69 117.46 110.23 2a47 n PHE 74 Ca -0.01 -2.83 -0.15 0.00 1.01 0.00 0.00 57.45 55.47 2a47 n PHE 74 Cb 0.29 -1.91 -0.15 0.00 -0.01 0.00 0.00 39.48 37.70 2a47 n PHE 74 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2a47 s THR 75 N -0.73 0.22 -0.53 4.37 2.01 -1.18 -4.23 115.64 115.57 2a47 s THR 75 Ca 0.56 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 62.23 2a47 s THR 75 Cb 0.19 -0.23 0.03 0.00 0.01 0.00 0.00 72.50 72.50 2a47 s THR 75 CO -0.09 0.09 1.10 0.00 -0.69 0.00 0.00 174.62 175.03 2a47 s ALA 76 N 0.28 3.10 -0.09 7.40 0.00 -0.53 -4.50 121.76 127.41 2a47 s ALA 76 Ca -0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 2a47 s ALA 76 Cb -0.05 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 2a47 s ALA 76 CO -0.01 -2.42 0.05 0.71 0.00 0.00 0.00 175.76 174.09 2a47 s TYR 77 N 4.49 3.30 0.36 0.00 1.51 -1.26 -0.78 117.35 124.98 2a47 s TYR 77 Ca 0.42 0.30 -0.28 0.00 -1.01 0.00 0.00 57.07 56.49 2a47 s TYR 77 Cb -0.08 -1.83 -0.11 0.00 -0.11 0.00 0.00 41.96 39.82 2a47 s TYR 77 CO 0.26 0.56 1.45 -2.30 -1.11 0.00 0.00 175.55 174.42 2a47 n PRO 78 N 2.07 2.56 0.27 -1.71 -0.02 -1.26 -4.83 135.00 132.08 2a47 n PRO 78 Ca -0.19 0.90 0.18 0.00 -2.02 0.00 0.00 63.50 62.37 2a47 n PRO 78 Cb 0.54 -2.60 0.89 0.00 -0.02 0.00 0.00 33.50 32.31 2a47 n PRO 78 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2a47 h THR 79 N 2.89 0.16 0.01 3.45 1.35 -2.02 -2.78 112.91 115.98 2a47 h THR 79 Ca -0.49 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.31 2a47 h THR 79 Cb 1.25 0.77 0.01 0.00 -1.73 0.00 0.00 68.15 68.45 2a47 h THR 79 CO 0.65 0.00 -0.23 0.77 -0.25 0.00 0.00 175.52 176.46 2a47 h SER 80 N 0.00 0.18 -3.35 5.36 4.64 -2.06 -3.47 113.55 114.85 2a47 h SER 80 Ca 0.05 -0.84 -0.53 0.00 -0.47 0.00 0.00 61.79 60.00 2a47 h SER 80 Cb 0.55 -0.06 0.06 0.00 -0.31 0.00 0.00 62.40 62.65 2a47 h SER 80 CO -0.00 0.99 0.80 -0.32 -0.87 0.00 0.00 176.83 177.44 2a47 s MET 81 N -2.88 4.22 0.21 4.77 0.00 -1.05 -4.97 119.30 119.60 2a47 s MET 81 Ca -0.16 2.39 -0.32 0.00 0.00 0.00 0.00 55.69 57.60 2a47 s MET 81 Cb -0.00 -3.08 -0.12 0.00 0.00 0.00 0.00 34.83 31.63 2a47 s MET 81 CO 0.73 -0.49 1.72 -2.14 0.00 0.00 0.00 175.02 174.85 2a47 s PRO 82 N -0.38 4.12 -0.61 4.11 0.02 -1.26 -4.80 135.00 136.21 2a47 s PRO 82 Ca 0.61 2.61 -0.15 0.00 0.02 0.00 0.00 61.00 64.08 2a47 s PRO 82 Cb -0.44 -3.08 0.15 0.00 0.02 0.00 0.00 34.50 31.16 2a47 s PRO 82 CO 0.44 -0.75 0.56 0.34 -0.33 0.00 0.00 177.00 177.26 2a47 s ASP 83 N 1.19 6.31 0.32 2.53 -1.08 -1.26 -4.55 116.67 120.13 2a47 s ASP 83 Ca 0.75 -2.03 0.02 0.00 -0.52 0.00 0.00 52.55 50.77 2a47 s ASP 83 Cb -0.50 -2.20 0.60 0.00 -1.46 0.00 0.00 42.92 39.36 2a47 s ASP 83 CO 0.32 -0.78 1.93 0.22 0.52 0.00 0.00 175.17 177.38 2a47 h TYR 84 N 8.58 0.94 -0.00 -5.34 3.20 -1.91 -1.89 116.97 120.55 2a47 h TYR 84 Ca -0.19 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.70 2a47 h TYR 84 Cb 1.08 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2a47 h TYR 84 CO 0.80 0.50 -0.02 0.74 -1.64 0.00 0.00 178.16 178.55 2a47 h PHE 85 N 0.93 0.02 -0.58 -3.82 -1.00 -1.91 -3.16 116.94 107.41 2a47 h PHE 85 Ca 0.36 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 61.11 2a47 h PHE 85 Cb 0.20 -0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.73 2a47 h PHE 85 CO -0.00 0.79 0.28 0.87 -1.61 0.00 0.00 178.31 178.63 2a47 h LYS 86 N -0.76 0.82 0.00 1.51 1.57 -1.87 -1.78 116.57 116.07 2a47 h LYS 86 Ca -0.00 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2a47 h LYS 86 Cb 0.79 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 2a47 h LYS 86 CO 0.00 0.64 -0.01 1.96 -0.57 0.00 0.00 179.45 181.48 2a47 h GLN 87 N 0.82 0.00 0.00 3.15 4.20 -1.44 -2.92 115.11 118.91 2a47 h GLN 87 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2a47 h GLN 87 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2a47 h GLN 87 CO -0.03 0.01 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 2a47 n ALA 88 N -2.10 1.84 -2.85 3.87 0.00 -0.67 -4.77 120.51 115.84 2a47 n ALA 88 Ca -0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 2a47 n ALA 88 Cb 0.25 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 2a47 n ALA 88 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2a47 s PHE 89 N -3.11 3.24 -1.59 0.00 0.40 -1.11 -0.87 117.98 114.94 2a47 s PHE 89 Ca 0.08 -0.02 0.27 0.00 -0.60 0.00 0.00 56.93 56.66 2a47 s PHE 89 Cb 0.11 -1.52 1.42 0.00 0.51 0.00 0.00 43.02 43.54 2a47 s PHE 89 CO 0.39 0.51 1.92 -0.35 0.70 0.00 0.00 175.22 178.38 2a47 n PRO 90 N -0.72 0.51 -0.23 0.24 -0.04 -1.26 -4.91 135.00 128.59 2a47 n PRO 90 Ca -0.08 0.03 0.02 0.00 -0.04 0.00 0.00 63.50 63.43 2a47 n PRO 90 Cb 0.56 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.66 2a47 n PRO 90 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2a47 h ASP 91 N 0.00 0.32 -5.00 3.54 3.32 -1.83 -3.41 116.42 113.36 2a47 h ASP 91 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2a47 h ASP 91 Cb 0.18 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2a47 h ASP 91 CO 0.00 0.17 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 2a47 n GLY 92 N -1.31 2.47 3.16 2.75 0.00 -0.05 -4.82 105.19 107.40 2a47 n GLY 92 Ca 0.11 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 2a47 n GLY 92 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a47 s MET 93 N -2.11 0.74 0.04 1.61 -1.94 -0.99 -1.15 119.30 115.50 2a47 s MET 93 Ca 0.00 -0.96 0.06 0.00 -1.71 0.00 0.00 55.69 53.09 2a47 s MET 93 Cb 0.00 0.29 -0.02 0.00 2.01 0.00 0.00 34.83 37.11 2a47 s MET 93 CO 0.00 -0.21 -0.19 -1.12 -0.01 0.00 0.00 175.02 173.49 2a47 s SER 94 N -2.69 2.22 0.06 3.03 0.01 0.65 -0.55 113.70 116.43 2a47 s SER 94 Ca 0.03 -0.49 0.07 0.00 1.31 0.00 0.00 55.95 56.87 2a47 s SER 94 Cb 0.04 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 2a47 s SER 94 CO -0.09 0.13 -0.19 -0.31 0.41 0.00 0.00 173.24 173.19 2a47 s TYR 95 N -0.79 1.63 -0.05 2.43 4.12 0.10 -0.98 117.35 123.81 2a47 s TYR 95 Ca 0.06 -0.38 -0.02 0.00 0.02 0.00 0.00 57.07 56.75 2a47 s TYR 95 Cb -0.08 -0.95 0.03 0.00 -1.52 0.00 0.00 41.96 39.44 2a47 s TYR 95 CO 0.01 0.10 0.04 -1.21 0.02 0.00 0.00 175.55 174.51 2a47 s GLU 96 N -1.36 0.18 -0.03 -0.62 2.02 -0.74 -1.28 118.70 116.86 2a47 s GLU 96 Ca 0.05 0.26 0.03 0.00 0.02 0.00 0.00 54.97 55.33 2a47 s GLU 96 Cb -0.09 -0.66 0.00 0.00 0.10 0.00 0.00 34.13 33.49 2a47 s GLU 96 CO 0.02 -0.31 -0.11 0.50 0.02 0.00 0.00 175.26 175.39 2a47 s ARG 97 N 2.01 1.19 -0.15 1.61 3.52 0.53 -0.53 118.95 127.12 2a47 s ARG 97 Ca 0.04 -0.36 -0.05 0.00 -0.13 0.00 0.00 55.73 55.23 2a47 s ARG 97 Cb -0.12 -1.07 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 2a47 s ARG 97 CO -0.04 0.12 0.00 0.99 -0.81 0.00 0.00 175.30 175.57 2a47 s THR 98 N 0.26 4.29 -0.27 4.11 2.01 0.36 -1.23 115.64 125.16 2a47 s THR 98 Ca -0.05 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 61.72 2a47 s THR 98 Cb -0.10 -2.89 0.05 0.00 0.01 0.00 0.00 72.50 69.57 2a47 s THR 98 CO 0.01 0.50 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.04 2a47 s PHE 99 N 0.12 3.21 -0.45 4.92 0.40 -0.03 -1.80 117.98 124.35 2a47 s PHE 99 Ca 0.02 -1.92 -0.08 0.00 -0.60 0.00 0.00 56.93 54.35 2a47 s PHE 99 Cb -0.13 -2.04 0.11 0.00 0.51 0.00 0.00 43.02 41.46 2a47 s PHE 99 CO 0.02 -0.81 0.30 0.99 0.70 0.00 0.00 175.22 176.42 2a47 s THR 100 N 1.23 4.07 0.41 0.64 2.01 -0.42 -1.75 115.64 121.83 2a47 s THR 100 Ca -0.05 -1.73 -0.22 0.00 0.31 0.00 0.00 61.69 60.00 2a47 s THR 100 Cb -0.19 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.57 2a47 s THR 100 CO -0.03 -0.69 0.95 -0.31 -0.69 0.00 0.00 174.62 173.84 2a47 s TYR 101 N 1.34 3.36 0.54 4.92 1.51 -0.27 -0.90 117.35 127.85 2a47 s TYR 101 Ca 0.05 1.64 0.40 0.00 -1.01 0.00 0.00 57.07 58.15 2a47 s TYR 101 Cb -0.25 -2.86 2.13 0.00 -0.11 0.00 0.00 41.96 40.86 2a47 s TYR 101 CO -0.01 -0.07 2.27 1.05 -1.11 0.00 0.00 175.55 177.69 2a47 h GLU 102 N 2.10 0.00 -0.63 -0.62 4.11 -1.31 -2.95 114.58 115.28 2a47 h GLU 102 Ca -0.49 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 58.79 2a47 h GLU 102 Cb 1.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 2a47 h GLU 102 CO 0.62 0.01 0.17 -0.40 0.07 0.00 0.00 179.01 179.48 2a47 n ASP 103 N -3.18 4.72 0.00 3.06 5.75 -1.26 -4.92 116.55 120.73 2a47 n ASP 103 Ca -0.02 -3.19 0.00 0.00 -0.01 0.00 0.00 54.79 51.57 2a47 n ASP 103 Cb 0.13 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.51 2a47 n ASP 103 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2a47 n GLY 104 N -0.15 1.66 3.76 6.12 0.00 -1.11 -4.60 105.19 110.88 2a47 n GLY 104 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 2a47 n GLY 104 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a47 s GLY 105 N -2.19 3.05 -0.01 -0.02 0.00 -1.19 -4.68 107.32 102.28 2a47 s GLY 105 Ca 0.00 0.92 0.02 0.00 0.00 0.00 0.00 44.72 45.66 2a47 s GLY 105 CO 0.00 1.53 -0.06 0.14 0.00 0.00 0.00 173.10 174.71 2a47 s VAL 106 N -1.18 0.48 0.02 1.40 1.01 -0.83 -1.11 120.40 120.19 2a47 s VAL 106 Ca 0.45 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.23 2a47 s VAL 106 Cb -0.32 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 2a47 s VAL 106 CO 0.42 0.15 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 2a47 s ALA 107 N 0.04 0.80 0.02 5.51 0.00 -0.72 -1.24 121.76 126.17 2a47 s ALA 107 Ca -0.00 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.45 2a47 s ALA 107 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.92 2a47 s ALA 107 CO -0.00 0.14 -0.20 0.95 0.00 0.00 0.00 175.76 176.65 2a47 s THR 108 N -0.63 1.58 -0.05 0.00 -4.23 0.17 -0.85 115.64 111.64 2a47 s THR 108 Ca 0.00 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 59.41 2a47 s THR 108 Cb -0.06 -1.35 0.01 0.00 1.34 0.00 0.00 72.50 72.44 2a47 s THR 108 CO 0.00 0.29 0.18 0.00 -0.54 0.00 0.00 174.62 174.55 2a47 s ALA 109 N -0.66 -0.43 -0.01 3.99 0.00 -0.37 -0.93 121.76 123.35 2a47 s ALA 109 Ca 0.07 0.33 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 2a47 s ALA 109 Cb -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2a47 s ALA 109 CO 0.01 -0.13 0.03 -1.54 0.00 0.00 0.00 175.76 174.13 2a47 s SER 110 N -0.39 -0.03 0.10 0.00 1.04 -0.49 -0.35 113.70 113.58 2a47 s SER 110 Ca -0.05 0.07 -0.12 0.00 0.48 0.00 0.00 55.95 56.33 2a47 s SER 110 Cb -0.03 0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.17 2a47 s SER 110 CO 0.01 -0.02 0.29 -1.66 0.98 0.00 0.00 173.24 172.84 2a47 s TRP 111 N 0.06 -0.03 -0.03 5.02 -2.14 -0.40 -1.14 118.94 120.27 2a47 s TRP 111 Ca -0.00 -0.33 0.05 0.00 2.66 0.00 0.00 56.10 58.48 2a47 s TRP 111 Cb -0.01 0.10 -0.01 0.00 -3.10 0.00 0.00 33.47 30.45 2a47 s TRP 111 CO -0.00 -0.61 -0.19 -1.83 -2.66 0.00 0.00 176.95 171.66 2a47 s GLU 112 N -3.74 1.79 -0.11 3.25 4.04 -0.45 0.03 118.70 123.50 2a47 s GLU 112 Ca 0.03 -0.67 0.03 0.00 0.04 0.00 0.00 54.97 54.40 2a47 s GLU 112 Cb 0.03 -1.61 0.00 0.00 0.02 0.00 0.00 34.13 32.58 2a47 s GLU 112 CO -0.11 0.32 -0.22 0.42 -1.84 0.00 0.00 175.26 173.83 2a47 s ILE 113 N -0.16 2.17 0.29 1.83 1.01 0.29 -1.57 121.20 125.05 2a47 s ILE 113 Ca 0.00 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.75 2a47 s ILE 113 Cb -0.10 -1.85 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 2a47 s ILE 113 CO 0.01 0.55 -0.07 -0.94 0.00 0.00 0.00 174.94 174.50 2a47 s SER 114 N 0.46 2.93 -0.01 3.58 1.04 -0.34 -2.35 113.70 119.02 2a47 s SER 114 Ca -0.15 -1.19 0.01 0.00 0.48 0.00 0.00 55.95 55.10 2a47 s SER 114 Cb -0.17 -0.20 0.01 0.00 0.10 0.00 0.00 66.02 65.76 2a47 s SER 114 CO 0.06 -0.31 -0.02 -0.22 0.98 0.00 0.00 173.24 173.73 2a47 s LEU 115 N -3.47 1.77 -0.10 2.42 2.96 -1.26 -0.94 118.68 120.06 2a47 s LEU 115 Ca 0.30 -0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 2a47 s LEU 115 Cb 0.03 -0.16 0.04 0.00 0.50 0.00 0.00 46.19 46.60 2a47 s LEU 115 CO 0.13 -0.00 0.02 -0.54 -1.32 0.00 0.00 176.35 174.63 2a47 s LYS 116 N 0.24 0.56 7.98 1.98 1.02 -0.54 -5.00 119.74 125.97 2a47 s LYS 116 Ca -0.02 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.96 2a47 s LYS 116 Cb -0.05 -1.26 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 2a47 s LYS 116 CO -0.01 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 2a47 n GLY 117 N 5.14 3.63 1.52 -3.33 0.00 -1.26 -0.71 105.19 110.17 2a47 n GLY 117 Ca -0.07 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 45.93 2a47 n GLY 117 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2a47 n ASN 118 N 5.04 4.50 -4.31 1.61 6.94 -1.26 -4.91 115.26 122.88 2a47 n ASN 118 Ca 0.00 -2.47 -0.34 0.00 -0.02 0.00 0.00 54.58 51.75 2a47 n ASN 118 Cb 0.00 -0.57 -0.15 0.00 -2.36 0.00 0.00 39.78 36.70 2a47 n ASN 118 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2a47 s PHE 120 N 0.85 3.45 -0.20 0.00 0.40 -0.09 -1.47 117.98 120.92 2a47 s PHE 120 Ca -0.04 0.76 -0.06 0.00 -0.60 0.00 0.00 56.93 56.99 2a47 s PHE 120 Cb -0.15 -2.52 -0.03 0.00 0.51 0.00 0.00 43.02 40.83 2a47 s PHE 120 CO 0.00 0.11 0.02 -1.21 0.70 0.00 0.00 175.22 174.84 2a47 s GLU 121 N 0.87 3.72 -0.23 0.44 2.02 -0.11 -1.04 118.70 124.36 2a47 s GLU 121 Ca 0.22 -0.47 -0.00 0.00 0.02 0.00 0.00 54.97 54.74 2a47 s GLU 121 Cb -0.15 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 30.98 2a47 s GLU 121 CO 0.08 0.07 -0.11 -1.58 0.02 0.00 0.00 175.26 173.75 2a47 s HIS 122 N 0.87 3.01 -0.22 1.61 2.46 0.19 -1.19 115.29 122.01 2a47 s HIS 122 Ca 0.02 -1.67 -0.01 0.00 0.47 0.00 0.00 55.06 53.87 2a47 s HIS 122 Cb -0.14 -2.00 0.02 0.00 -0.13 0.00 0.00 32.58 30.33 2a47 s HIS 122 CO 0.02 -0.77 -0.10 0.21 -2.47 0.00 0.00 174.74 171.64 2a47 s LYS 123 N 1.29 2.96 0.20 2.88 2.20 -0.61 -0.92 119.74 127.74 2a47 s LYS 123 Ca 0.00 -0.88 0.06 0.00 -0.36 0.00 0.00 55.97 54.79 2a47 s LYS 123 Cb -0.16 -2.87 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 2a47 s LYS 123 CO -0.07 -0.31 -0.10 -1.54 -0.36 0.00 0.00 175.35 172.97 2a47 s SER 124 N 1.34 2.23 -0.05 1.43 1.04 0.24 -1.34 113.70 118.59 2a47 s SER 124 Ca 0.02 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.40 2a47 s SER 124 Cb -0.15 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.90 2a47 s SER 124 CO -0.07 -0.30 -0.12 0.42 0.98 0.00 0.00 173.24 174.15 2a47 s THR 125 N -3.17 1.06 -0.03 2.02 -4.23 -0.30 -1.02 115.64 109.99 2a47 s THR 125 Ca 0.23 -0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.29 2a47 s THR 125 Cb 0.02 -0.96 0.01 0.00 1.34 0.00 0.00 72.50 72.91 2a47 s THR 125 CO 0.06 0.33 -0.09 0.12 -0.54 0.00 0.00 174.62 174.50 2a47 s PHE 126 N 0.44 0.95 -0.05 3.99 5.36 -0.67 -1.39 117.98 126.61 2a47 s PHE 126 Ca -0.10 -0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 55.61 2a47 s PHE 126 Cb -0.13 -0.69 0.04 0.00 -0.34 0.00 0.00 43.02 41.89 2a47 s PHE 126 CO 0.02 -0.12 0.09 -1.58 -1.46 0.00 0.00 175.22 172.18 2a47 s HIS 127 N 0.28 -0.04 -0.02 10.12 2.46 -0.11 -0.97 115.29 127.02 2a47 s HIS 127 Ca -0.05 0.36 0.06 0.00 0.47 0.00 0.00 55.06 55.90 2a47 s HIS 127 Cb -0.09 -0.34 -0.01 0.00 -0.13 0.00 0.00 32.58 32.01 2a47 s HIS 127 CO 0.01 -0.19 -0.20 0.20 -2.47 0.00 0.00 174.74 172.09 2a47 s GLY 128 N 1.91 0.97 0.12 1.59 0.00 0.14 -0.65 107.32 111.39 2a47 s GLY 128 Ca 0.01 -0.84 -0.05 0.00 0.00 0.00 0.00 44.72 43.84 2a47 s GLY 128 CO -0.04 -0.68 0.13 -1.34 0.00 0.00 0.00 173.10 171.17 2a47 s VAL 129 N -0.42 0.12 -1.83 1.40 -7.23 -0.38 -0.19 120.40 111.88 2a47 s VAL 129 Ca 0.06 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 2a47 s VAL 129 Cb -0.08 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.08 2a47 s VAL 129 CO -0.00 -0.54 0.00 0.59 -0.31 0.00 0.00 175.10 174.84 2a47 n ASN 130 N -0.09 -5.25 -4.73 4.85 3.02 -1.26 -1.96 115.26 109.84 2a47 n ASN 130 Ca -0.09 0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 2a47 n ASN 130 Cb 0.63 -4.35 -0.04 0.00 -0.61 0.00 0.00 39.78 35.41 2a47 n ASN 130 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2a47 s PHE 131 N -2.76 3.78 0.29 3.10 0.40 -1.26 -3.19 117.98 118.34 2a47 s PHE 131 Ca 0.00 1.78 -0.30 0.00 -0.60 0.00 0.00 56.93 57.81 2a47 s PHE 131 Cb 0.00 -3.07 -0.12 0.00 0.51 0.00 0.00 43.02 40.34 2a47 s PHE 131 CO 0.00 0.16 1.50 -2.30 0.70 0.00 0.00 175.22 175.27 2a47 n PRO 132 N 2.98 2.43 0.16 0.24 -0.02 -1.26 -4.82 135.00 134.72 2a47 n PRO 132 Ca 0.03 0.86 0.18 0.00 -2.02 0.00 0.00 63.50 62.55 2a47 n PRO 132 Cb 0.49 -2.58 0.79 0.00 -0.02 0.00 0.00 33.50 32.18 2a47 n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2a47 h ALA 133 N 4.20 1.95 -0.17 3.55 0.00 -2.00 -0.65 119.26 126.14 2a47 h ALA 133 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2a47 h ALA 133 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2a47 h ALA 133 CO 0.75 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 2a47 n ASP 134 N -3.88 3.09 -3.78 0.00 3.85 -1.26 -4.50 116.55 110.07 2a47 n ASP 134 Ca 0.03 -2.75 -0.26 0.00 -0.71 0.00 0.00 54.79 51.10 2a47 n ASP 134 Cb 0.40 -0.40 0.18 0.00 -1.35 0.00 0.00 41.12 39.96 2a47 n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2a47 n GLY 135 N -0.59 -1.32 0.29 6.12 0.00 -0.25 -4.77 105.19 104.67 2a47 n GLY 135 Ca 0.16 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.49 2a47 n GLY 135 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2a47 h PRO 136 N 0.00 0.39 0.55 1.61 0.13 -1.95 -1.28 132.00 131.47 2a47 h PRO 136 Ca -0.39 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2a47 h PRO 136 Cb 1.08 -0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.13 2a47 h PRO 136 CO 0.28 0.29 -0.27 0.28 -0.23 0.00 0.00 178.00 178.35 2a47 h VAL 137 N 0.40 0.02 0.00 1.56 2.07 -1.92 -0.21 116.25 118.17 2a47 h VAL 137 Ca 0.11 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2a47 h VAL 137 Cb 0.00 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 2a47 h VAL 137 CO -0.02 0.00 -0.24 0.24 0.02 0.00 0.00 177.57 177.58 2a47 h MET 138 N -1.19 0.00 -0.12 1.57 2.86 -1.76 0.01 114.93 116.29 2a47 h MET 138 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2a47 h MET 138 Cb 0.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.24 2a47 h MET 138 CO 0.12 0.24 0.00 0.00 1.06 0.00 0.00 176.91 178.33 2a47 n ALA 139 N -2.42 2.53 -3.74 6.32 0.00 -0.49 -4.61 120.51 118.10 2a47 n ALA 139 Ca -0.02 -0.54 -0.24 0.00 0.00 0.00 0.00 53.44 52.64 2a47 n ALA 139 Cb 0.31 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.70 2a47 n ALA 139 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2a47 n LYS 140 N 0.43 -3.53 -0.23 0.00 5.02 -0.81 -4.89 118.16 114.14 2a47 n LYS 140 Ca 0.17 0.54 0.12 0.00 -2.02 0.00 0.00 58.31 57.12 2a47 n LYS 140 Cb 0.38 -4.80 0.24 0.00 -0.02 0.00 0.00 35.03 30.82 2a47 n LYS 140 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2a47 n LYS 141 N -4.23 2.55 -3.29 1.97 4.76 -0.15 -4.98 118.16 114.79 2a47 n LYS 141 Ca -0.25 -2.37 -0.27 0.00 -2.87 0.00 0.00 58.31 52.55 2a47 n LYS 141 Cb 0.66 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 32.31 2a47 n LYS 141 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2a47 s THR 142 N -1.34 5.04 -0.08 -0.18 -4.23 -1.26 -0.35 115.64 113.25 2a47 s THR 142 Ca 0.41 -0.11 0.07 0.00 -1.18 0.00 0.00 61.69 60.88 2a47 s THR 142 Cb 0.23 -3.79 -0.10 0.00 1.34 0.00 0.00 72.50 70.18 2a47 s THR 142 CO 0.31 -0.45 0.02 0.35 -0.54 0.00 0.00 174.62 174.32 2a47 n THR 143 N -1.33 0.57 0.00 3.99 -2.24 0.13 -4.78 114.28 110.61 2a47 n THR 143 Ca -0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2a47 n THR 143 Cb 0.55 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 2a47 n THR 143 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2a47 n GLY 144 N 2.52 1.51 3.75 3.38 0.00 -1.25 -4.71 105.19 110.39 2a47 n GLY 144 Ca -0.14 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.29 2a47 n GLY 144 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2a47 s TRP 145 N -1.99 3.90 0.72 1.61 0.52 -1.26 -0.04 118.94 122.41 2a47 s TRP 145 Ca 0.00 1.82 -0.11 0.00 0.02 0.00 0.00 56.10 57.83 2a47 s TRP 145 Cb 0.00 -2.97 0.02 0.00 -1.15 0.00 0.00 33.47 29.37 2a47 s TRP 145 CO 0.00 0.37 1.07 0.34 0.02 0.00 0.00 176.95 178.75 2a47 s ASP 146 N -0.70 5.09 0.48 2.95 2.15 -0.51 -4.68 116.67 121.46 2a47 s ASP 146 Ca 0.42 1.69 -0.24 0.00 0.43 0.00 0.00 52.55 54.85 2a47 s ASP 146 Cb -0.24 -2.50 -0.07 0.00 -0.30 0.00 0.00 42.92 39.80 2a47 s ASP 146 CO 0.30 -1.64 1.40 -2.65 -0.17 0.00 0.00 175.17 172.41 2a47 n PRO 147 N -3.24 2.03 -4.18 4.34 -0.02 -1.26 -4.79 135.00 127.88 2a47 n PRO 147 Ca 0.08 0.73 -0.12 0.00 -2.02 0.00 0.00 63.50 62.18 2a47 n PRO 147 Cb 0.53 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 2a47 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2a47 s SER 148 N -0.63 1.28 -0.42 2.55 1.04 -0.74 -4.96 113.70 111.81 2a47 s SER 148 Ca 0.65 -0.98 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2a47 s SER 148 Cb -0.44 0.07 0.11 0.00 0.10 0.00 0.00 66.02 65.86 2a47 s SER 148 CO 0.55 -0.42 0.17 -0.36 0.98 0.00 0.00 173.24 174.16 2a47 s PHE 149 N -3.41 3.58 -0.15 5.02 0.40 -1.26 -0.69 117.98 121.46 2a47 s PHE 149 Ca 0.12 -2.83 -0.28 0.00 -0.60 0.00 0.00 56.93 53.34 2a47 s PHE 149 Cb 0.04 -3.03 -0.01 0.00 0.51 0.00 0.00 43.02 40.53 2a47 s PHE 149 CO -0.03 -0.91 0.97 -2.00 0.70 0.00 0.00 175.22 173.95 2a47 s GLU 150 N 0.67 4.35 -0.19 0.44 2.12 0.07 -4.83 118.70 121.34 2a47 s GLU 150 Ca 0.12 1.29 -0.28 0.00 0.36 0.00 0.00 54.97 56.45 2a47 s GLU 150 Cb -0.21 -3.57 0.00 0.00 0.26 0.00 0.00 34.13 30.60 2a47 s GLU 150 CO -0.05 -0.39 0.99 0.21 -0.54 0.00 0.00 175.26 175.48 2a47 s LYS 151 N 2.33 4.30 -0.21 4.30 2.47 -0.52 -1.33 119.74 131.07 2a47 s LYS 151 Ca 0.45 1.29 -0.08 0.00 -1.56 0.00 0.00 55.97 56.07 2a47 s LYS 151 Cb -0.17 -3.61 -0.04 0.00 -1.46 0.00 0.00 37.83 32.55 2a47 s LYS 151 CO 0.14 -0.51 0.08 -1.64 0.16 0.00 0.00 175.35 173.58 2a47 s MET 152 N 2.74 3.88 0.07 4.03 -1.94 0.58 -0.96 119.30 127.70 2a47 s MET 152 Ca 0.44 -0.38 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 2a47 s MET 152 Cb -0.16 -3.30 -0.03 0.00 2.01 0.00 0.00 34.83 33.35 2a47 s MET 152 CO 0.10 0.08 -0.12 0.95 -0.01 0.00 0.00 175.02 176.03 2a47 s THR 153 N 0.91 0.92 -0.17 2.05 -4.23 -0.47 -1.30 115.64 113.34 2a47 s THR 153 Ca 0.04 -1.32 -0.17 0.00 -1.18 0.00 0.00 61.69 59.06 2a47 s THR 153 Cb -0.14 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.65 2a47 s THR 153 CO 0.03 -0.34 0.45 -0.69 -0.54 0.00 0.00 174.62 173.52 2a47 s VAL 154 N -1.57 5.18 -0.10 2.29 1.01 -1.26 -0.51 120.40 125.44 2a47 s VAL 154 Ca -0.02 0.84 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 2a47 s VAL 154 Cb -0.08 -3.78 0.05 0.00 0.00 0.00 0.00 36.38 32.57 2a47 s VAL 154 CO 0.01 0.26 0.20 0.00 0.00 0.00 0.00 175.10 175.58 2a47 n ASP 156 N 5.01 -3.87 0.00 0.00 5.68 -1.26 -2.26 116.55 119.85 2a47 n ASP 156 Ca -0.11 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.27 2a47 n ASP 156 Cb 0.50 -3.84 0.00 0.00 -1.14 0.00 0.00 41.12 36.64 2a47 n ASP 156 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a47 n GLY 157 N -1.60 1.01 3.49 6.12 0.00 -1.26 -4.96 105.19 107.98 2a47 n GLY 157 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2a47 n GLY 157 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2a47 s ILE 158 N -2.17 1.40 -0.13 -0.61 -4.36 -0.96 -5.01 121.20 109.37 2a47 s ILE 158 Ca 0.00 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.27 2a47 s ILE 158 Cb 0.00 -2.84 -0.05 0.00 1.25 0.00 0.00 42.46 40.82 2a47 s ILE 158 CO 0.00 -0.01 0.25 -0.22 0.24 0.00 0.00 174.94 175.20 2a47 s LEU 159 N -3.54 4.32 0.10 0.37 2.96 -1.18 -0.36 118.68 121.35 2a47 s LEU 159 Ca 0.36 0.53 0.07 0.00 -0.22 0.00 0.00 54.13 54.88 2a47 s LEU 159 Cb 0.09 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2a47 s LEU 159 CO 0.16 0.24 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.77 2a47 s LYS 160 N -0.23 2.06 -0.07 1.98 -0.14 0.33 -0.33 119.74 123.35 2a47 s LYS 160 Ca 0.16 -1.05 0.03 0.00 -1.36 0.00 0.00 55.97 53.75 2a47 s LYS 160 Cb -0.13 -2.26 0.01 0.00 -1.68 0.00 0.00 37.83 33.77 2a47 s LYS 160 CO 0.05 0.51 -0.15 0.20 -0.76 0.00 0.00 175.35 175.19 2a47 s GLY 161 N -2.13 0.90 -0.03 -3.33 0.00 0.00 -1.37 107.32 101.37 2a47 s GLY 161 Ca 0.20 -0.54 0.02 0.00 0.00 0.00 0.00 44.72 44.40 2a47 s GLY 161 CO 0.12 -0.01 -0.07 0.99 0.00 0.00 0.00 173.10 174.13 2a47 s ASP 162 N 0.54 1.07 -0.23 1.64 1.11 -0.14 -0.61 116.67 120.04 2a47 s ASP 162 Ca -0.14 -0.16 -0.27 0.00 0.18 0.00 0.00 52.55 52.16 2a47 s ASP 162 Cb -0.16 -0.35 0.10 0.00 1.07 0.00 0.00 42.92 43.58 2a47 s ASP 162 CO 0.05 0.03 0.90 0.54 1.18 0.00 0.00 175.17 177.86 2a47 s VAL 163 N 0.39 0.00 -0.48 -1.27 0.11 -0.86 -1.44 120.40 116.85 2a47 s VAL 163 Ca -0.06 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.81 2a47 s VAL 163 Cb -0.10 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2a47 s VAL 163 CO 0.00 0.00 0.56 -0.89 -3.33 0.00 0.00 175.10 171.44 2a47 s THR 164 N -0.13 4.96 0.31 5.04 2.01 -1.26 -0.35 115.64 126.22 2a47 s THR 164 Ca -0.00 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.55 2a47 s THR 164 Cb -0.04 -4.22 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2a47 s THR 164 CO -0.01 -0.69 0.35 0.00 -0.69 0.00 0.00 174.62 173.58 2a47 s ALA 165 N 2.41 3.96 -0.05 7.40 0.00 0.40 -4.94 121.76 130.95 2a47 s ALA 165 Ca 0.13 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2a47 s ALA 165 Cb -0.19 -1.46 0.01 0.00 0.00 0.00 0.00 23.12 21.48 2a47 s ALA 165 CO 0.12 0.07 -0.09 -0.06 0.00 0.00 0.00 175.76 175.80 2a47 s PHE 166 N -2.18 1.07 -0.22 0.00 0.40 -1.26 -0.48 117.98 115.30 2a47 s PHE 166 Ca 0.40 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 56.26 2a47 s PHE 166 Cb -0.08 -0.82 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 2a47 s PHE 166 CO 0.28 -0.19 0.31 -0.51 0.70 0.00 0.00 175.22 175.81 2a47 s LEU 167 N 0.60 4.12 0.31 -0.37 1.43 0.28 -1.42 118.68 123.62 2a47 s LEU 167 Ca -0.10 0.34 -0.27 0.00 -1.03 0.00 0.00 54.13 53.07 2a47 s LEU 167 Cb -0.13 -2.36 -0.10 0.00 0.03 0.00 0.00 46.19 43.63 2a47 s LEU 167 CO 0.02 -0.05 0.96 -0.04 0.23 0.00 0.00 176.35 177.47 2a47 s MET 168 N 1.35 4.62 0.09 1.70 -1.94 0.95 -0.51 119.30 125.56 2a47 s MET 168 Ca 0.15 1.42 0.03 0.00 -1.71 0.00 0.00 55.69 55.58 2a47 s MET 168 Cb -0.15 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.74 2a47 s MET 168 CO 0.07 0.29 0.09 -0.51 -0.01 0.00 0.00 175.02 174.96 2a47 s LEU 169 N -1.85 3.81 0.18 -0.03 1.43 0.22 -0.70 118.68 121.74 2a47 s LEU 169 Ca 0.48 -0.02 -0.25 0.00 -1.03 0.00 0.00 54.13 53.31 2a47 s LEU 169 Cb -0.22 -2.48 0.06 0.00 0.03 0.00 0.00 46.19 43.58 2a47 s LEU 169 CO 0.27 0.15 1.55 1.56 0.23 0.00 0.00 176.35 180.12 2a47 h GLN 170 N 3.13 -0.07 0.00 1.70 7.50 -0.99 0.21 115.11 126.60 2a47 h GLN 170 Ca -0.47 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.69 2a47 h GLN 170 Cb 1.17 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.71 2a47 h GLN 170 CO 0.66 -0.04 0.00 0.41 -1.50 0.00 0.00 178.83 178.35 2a47 n GLY 171 N -1.37 -0.84 0.00 3.46 0.00 -1.26 -4.80 105.19 100.38 2a47 n GLY 171 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2a47 n GLY 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a47 n GLY 172 N -0.27 1.84 1.07 -0.02 0.00 0.75 -5.11 105.19 103.44 2a47 n GLY 172 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2a47 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2a47 n GLY 173 N 0.00 -2.29 3.05 -0.02 0.00 -1.24 -4.67 105.19 100.01 2a47 n GLY 173 Ca 0.00 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 2a47 n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a47 s ASN 174 N -2.41 0.64 -0.15 1.61 2.20 -1.26 -0.61 114.94 114.96 2a47 s ASN 174 Ca 0.22 -0.65 -0.00 0.00 -0.94 0.00 0.00 52.86 51.49 2a47 s ASN 174 Cb -0.02 0.09 0.03 0.00 -2.00 0.00 0.00 41.25 39.35 2a47 s ASN 174 CO 0.16 -0.32 -0.08 -0.47 -2.94 0.00 0.00 177.10 173.45 2a47 s TYR 175 N -2.02 1.85 0.25 1.54 5.04 0.34 -4.91 117.35 119.44 2a47 s TYR 175 Ca -0.07 -1.10 -0.30 0.00 -2.44 0.00 0.00 57.07 53.16 2a47 s TYR 175 Cb -0.06 -1.40 -0.09 0.00 0.35 0.00 0.00 41.96 40.76 2a47 s TYR 175 CO -0.02 -0.62 1.05 0.50 -1.34 0.00 0.00 175.55 175.12 2a47 s ARG 176 N 1.59 4.70 -0.03 4.97 3.52 -1.26 -0.56 118.95 131.87 2a47 s ARG 176 Ca 0.02 1.70 -0.01 0.00 -0.13 0.00 0.00 55.73 57.32 2a47 s ARG 176 Cb -0.14 -3.23 0.03 0.00 -1.56 0.00 0.00 34.95 30.05 2a47 s ARG 176 CO -0.08 0.28 0.03 0.00 -0.81 0.00 0.00 175.30 174.71 2a47 s GLN 178 N 1.52 4.21 -0.09 0.00 2.00 -0.08 -0.45 119.66 126.77 2a47 s GLN 178 Ca -0.03 0.28 -0.02 0.00 -2.00 0.00 0.00 55.36 53.59 2a47 s GLN 178 Cb -0.13 -3.52 -0.03 0.00 0.80 0.00 0.00 33.01 30.13 2a47 s GLN 178 CO -0.03 -0.02 0.00 -0.06 -0.50 0.00 0.00 175.29 174.69 2a47 s PHE 179 N 1.22 3.15 -0.07 1.67 0.40 0.53 -1.30 117.98 123.59 2a47 s PHE 179 Ca 0.21 0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2a47 s PHE 179 Cb -0.15 -1.81 0.03 0.00 0.51 0.00 0.00 43.02 41.60 2a47 s PHE 179 CO 0.08 0.43 0.01 -1.58 0.70 0.00 0.00 175.22 174.86 2a47 s HIS 180 N -0.76 0.63 0.03 0.36 2.46 -0.74 -2.02 115.29 115.24 2a47 s HIS 180 Ca 0.12 -0.15 0.05 0.00 0.47 0.00 0.00 55.06 55.54 2a47 s HIS 180 Cb -0.12 -0.78 -0.02 0.00 -0.13 0.00 0.00 32.58 31.53 2a47 s HIS 180 CO 0.02 -0.33 -0.14 0.99 -2.47 0.00 0.00 174.74 172.82 2a47 s THR 181 N 1.99 1.09 -0.18 0.89 2.01 0.22 -0.49 115.64 121.17 2a47 s THR 181 Ca 0.05 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.08 2a47 s THR 181 Cb -0.12 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 2a47 s THR 181 CO -0.05 0.05 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.46 2a47 s SER 182 N -1.00 4.73 -0.33 3.53 0.01 0.31 -0.82 113.70 120.14 2a47 s SER 182 Ca 0.02 -0.19 -0.06 0.00 1.31 0.00 0.00 55.95 57.03 2a47 s SER 182 Cb -0.07 -1.79 0.04 0.00 0.21 0.00 0.00 66.02 64.40 2a47 s SER 182 CO 0.01 0.10 0.09 -0.31 0.41 0.00 0.00 173.24 173.54 2a47 s TYR 183 N 0.76 3.25 -0.07 2.43 1.51 0.56 -1.80 117.35 123.99 2a47 s TYR 183 Ca -0.01 -1.46 0.01 0.00 -1.01 0.00 0.00 57.07 54.61 2a47 s TYR 183 Cb -0.14 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 2a47 s TYR 183 CO 0.02 -0.73 -0.09 0.15 -1.11 0.00 0.00 175.55 173.78 2a47 s LYS 184 N 1.39 2.74 0.07 -0.62 1.02 -0.15 -3.10 119.74 121.09 2a47 s LYS 184 Ca -0.02 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.40 2a47 s LYS 184 Cb -0.19 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 2a47 s LYS 184 CO 0.02 0.61 0.05 0.95 -0.92 0.00 0.00 175.35 176.07 2a47 s THR 185 N -0.68 4.40 0.24 2.17 -4.23 -1.26 -0.25 115.64 116.03 2a47 s THR 185 Ca 0.10 -0.78 -0.03 0.00 -1.18 0.00 0.00 61.69 59.80 2a47 s THR 185 Cb -0.11 -3.09 0.10 0.00 1.34 0.00 0.00 72.50 70.73 2a47 s THR 185 CO 0.01 0.16 1.73 0.11 -0.54 0.00 0.00 174.62 176.10 2a47 h LYS 186 N 3.48 0.83 -6.05 3.99 1.79 -1.43 -3.44 116.57 115.73 2a47 h LYS 186 Ca -0.47 -0.24 -0.54 0.00 -2.18 0.00 0.00 60.65 57.22 2a47 h LYS 186 Cb 1.17 -0.09 -0.19 0.00 -1.58 0.00 0.00 32.23 31.54 2a47 h LYS 186 CO 0.63 0.85 -0.80 0.15 -1.08 0.00 0.00 179.45 179.20 2a47 s LYS 187 N -4.94 1.25 0.32 3.15 -0.14 -1.26 -5.06 119.74 113.06 2a47 s LYS 187 Ca -0.10 -1.35 -0.29 0.00 -1.36 0.00 0.00 55.97 52.87 2a47 s LYS 187 Cb 0.14 -1.39 -0.12 0.00 -1.68 0.00 0.00 37.83 34.79 2a47 s LYS 187 CO 0.82 0.29 1.48 -2.30 -0.76 0.00 0.00 175.35 174.88 2a47 n PRO 188 N 0.50 2.48 -4.38 -1.68 -0.02 -1.26 -4.96 135.00 125.68 2a47 n PRO 188 Ca -0.15 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.02 2a47 n PRO 188 Cb 0.56 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.35 2a47 n PRO 188 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2a47 s VAL 189 N -0.54 1.15 -0.12 -1.45 -7.23 -1.26 -5.06 120.40 105.90 2a47 s VAL 189 Ca 0.60 -2.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.44 2a47 s VAL 189 Cb -0.53 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 2a47 s VAL 189 CO 0.56 -0.19 1.43 -0.89 -0.31 0.00 0.00 175.10 175.70 2a47 s THR 190 N -3.34 3.98 0.33 5.32 2.01 -1.26 -4.97 115.64 117.71 2a47 s THR 190 Ca 0.32 1.19 -0.28 0.00 0.31 0.00 0.00 61.69 63.23 2a47 s THR 190 Cb 0.07 -3.77 -0.09 0.00 0.01 0.00 0.00 72.50 68.71 2a47 s THR 190 CO 0.12 -0.11 1.13 -0.04 -0.69 0.00 0.00 174.62 175.03 2a47 s MET 191 N 3.74 4.40 0.58 4.92 -1.94 -1.26 -4.66 119.30 125.09 2a47 s MET 191 Ca 0.63 1.82 -0.02 0.00 -1.71 0.00 0.00 55.69 56.41 2a47 s MET 191 Cb -0.27 -2.96 0.03 0.00 2.01 0.00 0.00 34.83 33.64 2a47 s MET 191 CO 0.21 -0.01 0.84 -1.25 -0.01 0.00 0.00 175.02 174.80 2a47 s PRO 192 N -1.84 2.58 0.69 2.03 0.04 -1.26 -4.84 135.00 132.41 2a47 s PRO 192 Ca 0.50 -0.48 -0.10 0.00 0.04 0.00 0.00 61.00 60.96 2a47 s PRO 192 Cb -0.31 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 31.88 2a47 s PRO 192 CO 0.40 -0.79 1.05 -1.25 0.04 0.00 0.00 177.00 176.46 2a47 s PRO 193 N -4.90 2.67 0.27 0.56 0.04 -1.26 -4.82 135.00 127.56 2a47 s PRO 193 Ca 0.56 0.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 2a47 s PRO 193 Cb -0.10 -2.09 -0.13 0.00 0.04 0.00 0.00 34.50 32.22 2a47 s PRO 193 CO 0.41 -1.06 1.43 0.09 0.04 0.00 0.00 177.00 177.91 2a47 n ASN 194 N -2.94 3.01 -1.61 6.66 3.02 -1.26 -4.92 115.26 117.21 2a47 n ASN 194 Ca 0.07 1.15 -0.04 0.00 -0.03 0.00 0.00 54.58 55.73 2a47 n ASN 194 Cb 0.58 -1.47 -0.00 0.00 -0.61 0.00 0.00 39.78 38.27 2a47 n ASN 194 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a47 n HIS 195 N 1.71 -0.98 -4.16 3.10 1.44 -0.42 -4.35 115.22 111.56 2a47 n HIS 195 Ca 0.10 -0.69 -0.17 0.00 -2.01 0.00 0.00 57.72 54.94 2a47 n HIS 195 Cb 0.33 0.21 -0.12 0.00 0.12 0.00 0.00 29.99 30.54 2a47 n HIS 195 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2a47 s VAL 196 N -2.61 1.01 -0.17 0.61 0.11 -1.11 -0.31 120.40 117.93 2a47 s VAL 196 Ca 0.08 -1.24 0.01 0.00 -2.93 0.00 0.00 61.98 57.89 2a47 s VAL 196 Cb -0.01 -0.98 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2a47 s VAL 196 CO 0.06 -0.24 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.72 2a47 s VAL 197 N -1.26 1.89 -0.23 2.04 1.01 -0.44 -0.80 120.40 122.60 2a47 s VAL 197 Ca -0.03 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 2a47 s VAL 197 Cb -0.10 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2a47 s VAL 197 CO 0.02 0.49 0.54 -0.70 0.00 0.00 0.00 175.10 175.45 2a47 s GLU 198 N 1.35 4.13 0.01 2.72 2.12 -0.24 -0.75 118.70 128.04 2a47 s GLU 198 Ca 0.05 0.40 0.05 0.00 0.36 0.00 0.00 54.97 55.83 2a47 s GLU 198 Cb -0.13 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.63 2a47 s GLU 198 CO -0.12 -0.27 -0.14 0.99 -0.54 0.00 0.00 175.26 175.18 2a47 s THR 199 N 2.03 1.14 -0.12 -1.70 2.01 0.13 -1.56 115.64 117.57 2a47 s THR 199 Ca 0.23 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.48 2a47 s THR 199 Cb -0.16 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.39 2a47 s THR 199 CO 0.09 0.21 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.98 2a47 s ARG 200 N -0.63 2.05 -0.07 4.92 0.52 0.34 -1.79 118.95 124.29 2a47 s ARG 200 Ca 0.04 -0.48 0.03 0.00 -0.52 0.00 0.00 55.73 54.80 2a47 s ARG 200 Cb -0.06 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.56 2a47 s ARG 200 CO 0.00 -0.16 -0.16 -1.50 0.02 0.00 0.00 175.30 173.50 2a47 s ILE 201 N 1.29 1.40 -0.07 1.52 2.07 -1.26 -0.23 121.20 125.92 2a47 s ILE 201 Ca -0.01 -0.64 0.04 0.00 -1.41 0.00 0.00 60.65 58.63 2a47 s ILE 201 Cb -0.14 -1.24 0.00 0.00 0.13 0.00 0.00 42.46 41.21 2a47 s ILE 201 CO -0.06 0.41 -0.18 0.00 -1.91 0.00 0.00 174.94 173.21 2a47 s ALA 202 N 0.52 1.64 -0.11 1.50 0.00 0.58 -4.50 121.76 121.40 2a47 s ALA 202 Ca -0.15 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 2a47 s ALA 202 Cb -0.16 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 2a47 s ALA 202 CO 0.05 0.24 -0.01 0.50 0.00 0.00 0.00 175.76 176.54 2a47 s ARG 203 N 0.30 3.19 -0.16 0.00 3.52 -1.26 -1.11 118.95 123.42 2a47 s ARG 203 Ca -0.11 -0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.02 2a47 s ARG 203 Cb -0.15 -2.83 0.05 0.00 -1.56 0.00 0.00 34.95 30.47 2a47 s ARG 203 CO 0.04 0.56 0.03 0.99 -0.81 0.00 0.00 175.30 176.12 2a47 s THR 204 N -0.50 0.45 0.18 4.11 2.01 0.17 -4.98 115.64 117.09 2a47 s THR 204 Ca 0.08 -0.36 -0.31 0.00 0.31 0.00 0.00 61.69 61.41 2a47 s THR 204 Cb -0.12 -0.88 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 2a47 s THR 204 CO 0.02 -0.10 1.39 -1.81 -0.69 0.00 0.00 174.62 173.44 2a47 s ASP 205 N 1.90 6.79 0.04 3.53 1.01 -1.26 -0.21 116.67 128.48 2a47 s ASP 205 Ca 0.01 2.45 0.22 0.00 0.71 0.00 0.00 52.55 55.94 2a47 s ASP 205 Cb -0.16 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.03 2a47 s ASP 205 CO -0.07 -0.64 0.81 0.18 0.21 0.00 0.00 175.17 175.66 2a47 n LEU 206 N 3.16 0.46 -4.21 1.23 4.77 0.15 -4.90 117.00 117.65 2a47 n LEU 206 Ca 0.09 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.96 2a47 n LEU 206 Cb 0.42 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.36 2a47 n LEU 206 CO 0.59 0.00 -0.33 1.51 -1.33 0.00 0.00 177.39 177.83 2a47 s ASP 207 N -4.35 1.02 0.17 -1.43 -4.77 -1.19 -4.98 116.67 101.14 2a47 s ASP 207 Ca -0.01 -1.15 -0.15 0.00 -3.30 0.00 0.00 52.55 47.94 2a47 s ASP 207 Cb 0.13 0.15 0.06 0.00 -1.09 0.00 0.00 42.92 42.18 2a47 s ASP 207 CO 0.85 -0.59 1.82 0.07 0.70 0.00 0.00 175.17 178.02 2a47 h LYS 208 N 2.77 0.57 0.00 2.11 5.09 -1.93 -2.46 116.57 122.73 2a47 h LYS 208 Ca -0.36 -0.03 -0.01 0.00 0.09 0.00 0.00 60.65 60.34 2a47 h LYS 208 Cb 1.20 -0.13 -0.00 0.00 0.10 0.00 0.00 32.23 33.40 2a47 h LYS 208 CO 0.62 0.38 -0.03 0.78 -2.09 0.00 0.00 179.45 179.11 2a47 h GLY 209 N 0.59 0.00 0.00 0.07 0.00 -1.97 -3.46 103.07 98.30 2a47 h GLY 209 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2a47 h GLY 209 CO -0.07 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.08 2a47 n GLY 210 N -0.45 0.78 0.22 4.60 0.00 -0.93 -3.37 105.19 106.04 2a47 n GLY 210 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2a47 n GLY 210 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2a47 h ASN 211 N 0.00 0.00 -3.57 1.61 4.21 -1.88 -3.39 115.58 112.56 2a47 h ASN 211 Ca 0.00 0.00 -0.65 0.00 1.21 0.00 0.00 56.30 56.86 2a47 h ASN 211 Cb 0.00 0.00 -0.23 0.00 -1.12 0.00 0.00 38.32 36.97 2a47 h ASN 211 CO 0.00 0.27 -0.64 -0.44 -1.29 0.00 0.00 177.43 175.33 2a47 s SER 212 N -6.50 5.00 -0.00 5.81 0.01 -1.26 -0.22 113.70 116.54 2a47 s SER 212 Ca -0.02 -0.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.89 2a47 s SER 212 Cb 0.13 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.49 2a47 s SER 212 CO 0.66 -0.01 0.27 0.54 0.41 0.00 0.00 173.24 175.10 2a47 s VAL 213 N 1.47 0.07 0.01 3.43 0.11 -0.46 0.30 120.40 125.33 2a47 s VAL 213 Ca 0.06 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.59 2a47 s VAL 213 Cb -0.15 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 2a47 s VAL 213 CO 0.02 -0.31 -0.12 -1.58 -3.33 0.00 0.00 175.10 169.78 2a47 s GLN 214 N -1.53 2.35 -0.01 1.54 0.74 0.71 -0.13 119.66 123.33 2a47 s GLN 214 Ca -0.13 -0.82 0.05 0.00 0.05 0.00 0.00 55.36 54.52 2a47 s GLN 214 Cb -0.05 -2.36 -0.01 0.00 1.10 0.00 0.00 33.01 31.69 2a47 s GLN 214 CO 0.03 0.58 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.66 2a47 s LEU 215 N -1.31 2.04 -0.02 3.68 1.43 -0.48 0.46 118.68 124.48 2a47 s LEU 215 Ca 0.15 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2a47 s LEU 215 Cb -0.11 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.21 2a47 s LEU 215 CO 0.05 0.21 -0.06 -0.89 0.23 0.00 0.00 176.35 175.89 2a47 s THR 216 N -0.43 0.56 0.02 5.49 2.01 -0.27 -1.27 115.64 121.75 2a47 s THR 216 Ca 0.07 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2a47 s THR 216 Cb -0.07 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 2a47 s THR 216 CO -0.01 0.18 -0.05 -0.70 -0.69 0.00 0.00 174.62 173.36 2a47 s GLU 217 N 0.21 0.36 -0.07 4.92 2.12 -0.01 -0.31 118.70 125.92 2a47 s GLU 217 Ca -0.03 -0.50 0.01 0.00 0.36 0.00 0.00 54.97 54.81 2a47 s GLU 217 Cb -0.07 -0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.21 2a47 s GLU 217 CO -0.00 0.02 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.07 2a47 s HIS 218 N -1.00 1.27 -0.01 5.30 5.65 0.67 -2.05 115.29 125.13 2a47 s HIS 218 Ca -0.09 -0.49 0.01 0.00 0.25 0.00 0.00 55.06 54.74 2a47 s HIS 218 Cb -0.07 -1.00 -0.00 0.00 -1.18 0.00 0.00 32.58 30.32 2a47 s HIS 218 CO -0.00 -0.31 -0.04 0.00 -0.65 0.00 0.00 174.74 173.74 2a47 s ALA 219 N 1.02 0.34 -0.02 1.58 0.00 -0.19 -0.50 121.76 124.00 2a47 s ALA 219 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2a47 s ALA 219 Cb -0.15 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2a47 s ALA 219 CO -0.00 0.07 0.01 0.54 0.00 0.00 0.00 175.76 176.39 2a47 s VAL 220 N -0.02 0.01 0.21 0.00 0.11 -0.60 -1.45 120.40 118.66 2a47 s VAL 220 Ca 0.01 0.12 -0.14 0.00 -2.93 0.00 0.00 61.98 59.04 2a47 s VAL 220 Cb -0.02 -0.10 -0.08 0.00 -1.53 0.00 0.00 36.38 34.65 2a47 s VAL 220 CO -0.00 0.08 0.61 0.00 -3.33 0.00 0.00 175.10 172.45 2a47 s ALA 221 N 0.73 3.50 -0.04 1.54 0.00 0.04 -1.08 121.76 126.46 2a47 s ALA 221 Ca -0.06 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 51.84 2a47 s ALA 221 Cb -0.09 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.44 2a47 s ALA 221 CO -0.02 0.43 -0.13 -1.01 0.00 0.00 0.00 175.76 175.03 2a47 s HIS 222 N -1.66 1.32 0.25 0.00 3.76 0.02 -4.65 115.29 114.32 2a47 s HIS 222 Ca 0.44 -0.37 -0.30 0.00 -0.15 0.00 0.00 55.06 54.68 2a47 s HIS 222 Cb -0.13 -0.92 -0.09 0.00 1.11 0.00 0.00 32.58 32.55 2a47 s HIS 222 CO 0.20 -0.14 1.22 0.42 -0.85 0.00 0.00 174.74 175.58 2a47 s ILE 223 N 0.17 3.29 -1.84 0.60 1.01 -1.26 -2.74 121.20 120.44 2a47 s ILE 223 Ca -0.04 1.18 0.15 0.00 0.00 0.00 0.00 60.65 61.93 2a47 s ILE 223 Cb -0.11 -3.75 0.12 0.00 0.01 0.00 0.00 42.46 38.73 2a47 s ILE 223 CO 0.01 0.23 0.97 0.35 0.00 0.00 0.00 174.94 176.50